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CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1 ZINC000035421655 520863031 /nfs/dbraw/zinc/86/30/31/520863031.db2.gz RDVNPHGJNNNEEA-UHFFFAOYSA-N 0 1 437.584 3.372 50 0 IGAAMN CCOC(=O)N1CCC(N2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000012207534 520923379 /nfs/dbraw/zinc/92/33/79/520923379.db2.gz GMZYXABNOGFIPB-OAQYLSRUSA-N 0 1 425.533 3.286 50 0 IGAAMN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000016819080 521483021 /nfs/dbraw/zinc/48/30/21/521483021.db2.gz XLYZYHCUVDOKAR-KRWDZBQOSA-N 0 1 436.386 3.184 50 0 IGAAMN COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CCN(Cc1ccc(C)cc1)CC2 ZINC000020778959 521777395 /nfs/dbraw/zinc/77/73/95/521777395.db2.gz VOJXBEDWMAHFFL-UHFFFAOYSA-N 0 1 447.535 3.018 50 0 IGAAMN COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697766 522062332 /nfs/dbraw/zinc/06/23/32/522062332.db2.gz SCNWEFQVMQEFOG-RUZDIDTESA-N 0 1 448.567 3.124 50 0 IGAAMN COC(=O)[C@H](CCSC)NC(=S)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020676373 523900930 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/nfs/dbraw/zinc/56/57/03/556565703.db2.gz OAXOMHURDGBAJR-QGZVFWFLSA-N 0 1 438.503 3.150 50 0 IGAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996849 556572084 /nfs/dbraw/zinc/57/20/84/556572084.db2.gz UXADPAGYIDYXOP-MSZDEVHKSA-N 0 1 429.520 3.149 50 0 IGAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009765 556573690 /nfs/dbraw/zinc/57/36/90/556573690.db2.gz KCMMFVVBYHOAIY-UAKAABGRSA-N 0 1 435.911 3.334 50 0 IGAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC ZINC000036307473 556596576 /nfs/dbraw/zinc/59/65/76/556596576.db2.gz AVNJYWJRZLTSFF-FQEVSTJZSA-N 0 1 443.519 3.474 50 0 IGAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247648247 556686200 /nfs/dbraw/zinc/68/62/00/556686200.db2.gz LCOURZMLVBPXSP-LAUBAEHRSA-N 0 1 429.398 3.500 50 0 IGAAMN O=C(CCn1cccn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055310769 556740015 /nfs/dbraw/zinc/74/00/15/556740015.db2.gz MEYSZYZATLRMHL-HXUWFJFHSA-N 0 1 435.494 3.105 50 0 IGAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000061931337 556762608 /nfs/dbraw/zinc/76/26/08/556762608.db2.gz UVNBHTBTYNDYFU-RQXXJAGISA-N 0 1 441.409 3.137 50 0 IGAAMN Cc1cccn2c(CN(C)CCc3cnn(C)c3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019535172 556793877 /nfs/dbraw/zinc/79/38/77/556793877.db2.gz KXHKNLUJXTXTLU-UHFFFAOYSA-N 0 1 444.583 3.365 50 0 IGAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000019647365 556840883 /nfs/dbraw/zinc/84/08/83/556840883.db2.gz FORKORSEQQKGKB-UHFFFAOYSA-N 0 1 448.522 3.305 50 0 IGAAMN O=C(N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)C1(O)CCCC1 ZINC000072145298 556899587 /nfs/dbraw/zinc/89/95/87/556899587.db2.gz DMMDTKRZQIAOIL-LJQANCHMSA-N 0 1 425.495 3.124 50 0 IGAAMN COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC ZINC000019771090 556913083 /nfs/dbraw/zinc/91/30/83/556913083.db2.gz HYGUTCLNIUHNEO-NRFANRHFSA-N 0 1 427.520 3.270 50 0 IGAAMN O=C(c1nc2sccn2c1CN1CCCC[C@@H]1CCN1CCOCC1)N1CCCCC1 ZINC000019837675 556928287 /nfs/dbraw/zinc/92/82/87/556928287.db2.gz QYKCZGPVNAMWDZ-LJQANCHMSA-N 0 1 445.633 3.099 50 0 IGAAMN COc1ccccc1N1CCN([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 ZINC000019884349 556938271 /nfs/dbraw/zinc/93/82/71/556938271.db2.gz SAYCNTJYNINOMG-IBGZPJMESA-N 0 1 425.602 3.499 50 0 IGAAMN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020272024 557004794 /nfs/dbraw/zinc/00/47/94/557004794.db2.gz HJNHTWOPLWATFR-VWLOTQADSA-N 0 1 429.568 3.358 50 0 IGAAMN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccsc1 ZINC000023133315 557017104 /nfs/dbraw/zinc/01/71/04/557017104.db2.gz PPYRCEHECSANRD-LJQANCHMSA-N 0 1 449.623 3.321 50 0 IGAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000082230408 557061465 /nfs/dbraw/zinc/06/14/65/557061465.db2.gz KTUIEMQNBSGHDU-UHFFFAOYSA-N 0 1 443.495 3.185 50 0 IGAAMN COC(=O)c1ccc(-c2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000023360957 557087983 /nfs/dbraw/zinc/08/79/83/557087983.db2.gz ABIDOWRYQHVNRI-JOCHJYFZSA-N 0 1 432.524 3.198 50 0 IGAAMN COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000049030414 557089302 /nfs/dbraw/zinc/08/93/02/557089302.db2.gz FRDYCRQWFXJTIB-MRXNPFEDSA-N 0 1 434.489 3.412 50 0 IGAAMN CCCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)CC1 ZINC000033308643 557089428 /nfs/dbraw/zinc/08/94/28/557089428.db2.gz BRVSYSRTUSCOOZ-NRFANRHFSA-N 0 1 448.567 3.154 50 0 IGAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000049686625 557117651 /nfs/dbraw/zinc/11/76/51/557117651.db2.gz IVNFQVHFWRUKIF-RQXXJAGISA-N 0 1 442.302 3.425 50 0 IGAAMN O=C(CN1CCC(O)CC1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000026372229 557240087 /nfs/dbraw/zinc/24/00/87/557240087.db2.gz FLGAGRAXKHVZCJ-FQEVSTJZSA-N 0 1 432.446 3.244 50 0 IGAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101343062 557279205 /nfs/dbraw/zinc/27/92/05/557279205.db2.gz SPGLMFFCGIPHHR-FDGPYGQJSA-N 0 1 435.911 3.186 50 0 IGAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101410620 557284017 /nfs/dbraw/zinc/28/40/17/557284017.db2.gz LCYCYKCRGGTNNL-FDGPYGQJSA-N 0 1 435.911 3.186 50 0 IGAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1 ZINC000014231593 557326697 /nfs/dbraw/zinc/32/66/97/557326697.db2.gz RHZXSYOOHLOXNV-UHFFFAOYSA-N 0 1 443.554 3.250 50 0 IGAAMN COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@H](Cc4nc(C5CC5)no4)C3)n[nH]2)c1 ZINC000220726933 557365290 /nfs/dbraw/zinc/36/52/90/557365290.db2.gz FQFWNRMDYWKBPQ-CQSZACIVSA-N 0 1 437.500 3.449 50 0 IGAAMN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690444 557458953 /nfs/dbraw/zinc/45/89/53/557458953.db2.gz CWOMHFZDQYSJFC-SFHVURJKSA-N 0 1 437.931 3.336 50 0 IGAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000051316487 557464421 /nfs/dbraw/zinc/46/44/21/557464421.db2.gz BEZSRBZIHWMISD-UHFFFAOYSA-N 0 1 439.472 3.377 50 0 IGAAMN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](C)O ZINC000105002836 557470331 /nfs/dbraw/zinc/47/03/31/557470331.db2.gz YTPLKSFBDOCQGF-UGKGYDQZSA-N 0 1 446.613 3.281 50 0 IGAAMN O=C(CN1CCN(C(=O)c2cc(-c3cccc4ccccc43)[nH]n2)CC1)N1CCCCC1 ZINC000044838858 557538847 /nfs/dbraw/zinc/53/88/47/557538847.db2.gz BHQYQRKLRSVDFF-UHFFFAOYSA-N 0 1 431.540 3.000 50 0 IGAAMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)n[nH]1 ZINC000242273718 557847556 /nfs/dbraw/zinc/84/75/56/557847556.db2.gz YFKPVZVQCJMSNA-VVLHAWIVSA-N 0 1 447.605 3.476 50 0 IGAAMN COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000003285923 562933748 /nfs/dbraw/zinc/93/37/48/562933748.db2.gz LRFVIHHEZZZHBA-UHFFFAOYSA-N 0 1 426.498 3.084 50 0 IGAAMN O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000003480355 568750053 /nfs/dbraw/zinc/75/00/53/568750053.db2.gz UNZIVNQDMWVIPQ-UHFFFAOYSA-N 0 1 434.477 3.448 50 0 IGAAMN O=C([O-])CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299785053 568757230 /nfs/dbraw/zinc/75/72/30/568757230.db2.gz LSZYMVCOKCSNDU-RBBKRZOGSA-N 0 1 426.536 3.098 50 0 IGAAMN O=C([O-])CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299785053 568757232 /nfs/dbraw/zinc/75/72/32/568757232.db2.gz LSZYMVCOKCSNDU-RBBKRZOGSA-N 0 1 426.536 3.098 50 0 IGAAMN COC(=O)c1cn(C2CCN(Cc3ccc(Br)cc3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588195 568761081 /nfs/dbraw/zinc/76/10/81/568761081.db2.gz QHQVRSQSQARBKP-UHFFFAOYSA-N 0 1 445.317 3.062 50 0 IGAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN([C@@H](CO)c2cccc(Cl)c2)CC1 ZINC000084367471 568797337 /nfs/dbraw/zinc/79/73/37/568797337.db2.gz BDAQGHAYQGXYGO-NRFANRHFSA-N 0 1 428.895 3.361 50 0 IGAAMN O=C(CNC(=O)c1cccc(Br)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000084363228 568797406 /nfs/dbraw/zinc/79/74/06/568797406.db2.gz WLSKGBOXNVRREP-UHFFFAOYSA-N 0 1 448.336 3.099 50 0 IGAAMN CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000006181248 568867954 /nfs/dbraw/zinc/86/79/54/568867954.db2.gz XKQLXSOEJLTJMZ-UHFFFAOYSA-N 0 1 447.944 3.489 50 0 IGAAMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000226932200 568885603 /nfs/dbraw/zinc/88/56/03/568885603.db2.gz XNQZASOJZYJLNJ-KCXPTXFHSA-N 0 1 441.409 3.137 50 0 IGAAMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229899548 568887066 /nfs/dbraw/zinc/88/70/66/568887066.db2.gz IVNFQVHFWRUKIF-KCXPTXFHSA-N 0 1 442.302 3.425 50 0 IGAAMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000241588292 568912415 /nfs/dbraw/zinc/91/24/15/568912415.db2.gz PBROKNQRNLRGII-NQIIRXRSSA-N 0 1 447.626 3.115 50 0 IGAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000016534191 568920607 /nfs/dbraw/zinc/92/06/07/568920607.db2.gz GGYPTQMGKLHRSA-BKUYFWCQSA-N 0 1 427.464 3.495 50 0 IGAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)CC1 ZINC000036341637 569079336 /nfs/dbraw/zinc/07/93/36/569079336.db2.gz TWCJMQBJRNMQTR-QHCPKHFHSA-N 0 1 436.556 3.019 50 0 IGAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)NCCN(C)C)c2oc1C(=O)N1CCCCCC1 ZINC000065010919 569087791 /nfs/dbraw/zinc/08/77/91/569087791.db2.gz NYYQWUZLCPSUDD-UHFFFAOYSA-N 0 1 435.590 3.214 50 0 IGAAMN Cc1nc(C[NH+]2CCC(CNC(=O)c3cnc4c(F)cc(F)cc4c3[O-])CC2)oc1C ZINC000170600248 569142635 /nfs/dbraw/zinc/14/26/35/569142635.db2.gz GOFIQLIFPLMHEG-UHFFFAOYSA-N 0 1 430.455 3.465 50 0 IGAAMN NC(=O)[C@H]1CCCN(Cc2ccccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000170617466 569147299 /nfs/dbraw/zinc/14/72/99/569147299.db2.gz SITMPWMDPRKWTH-INIZCTEOSA-N 0 1 439.940 3.118 50 0 IGAAMN CCSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000170621906 569147732 /nfs/dbraw/zinc/14/77/32/569147732.db2.gz FCRPAYVNXXXNRJ-VKDGWMQASA-N 0 1 435.549 3.063 50 0 IGAAMN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013986 569170830 /nfs/dbraw/zinc/17/08/30/569170830.db2.gz VTLGIIHKBGTBIK-UHFFFAOYSA-N 0 1 443.504 3.305 50 0 IGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000253389808 569264320 /nfs/dbraw/zinc/26/43/20/569264320.db2.gz KAGCDJKHLXHNNM-TYZOXTDXSA-N 0 1 435.911 3.388 50 0 IGAAMN CN1CCN(CCNC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)CC1 ZINC000020321721 569360245 /nfs/dbraw/zinc/36/02/45/569360245.db2.gz IMCCVHBDAUBQJR-UHFFFAOYSA-N 0 1 433.021 3.223 50 0 IGAAMN CC(C)Cc1nc2ccc(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cc2[nH]1 ZINC000095479268 569373661 /nfs/dbraw/zinc/37/36/61/569373661.db2.gz VUJYCNZKCDJBKK-FQEVSTJZSA-N 0 1 433.512 3.253 50 0 IGAAMN Cc1nnc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4C)n[nH]3)no2)s1 ZINC000095481956 569374238 /nfs/dbraw/zinc/37/42/38/569374238.db2.gz QSMGPHMEKUANHU-UHFFFAOYSA-N 0 1 442.530 3.187 50 0 IGAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000096682218 569402299 /nfs/dbraw/zinc/40/22/99/569402299.db2.gz FPWDEHHTCHQQKY-UHFFFAOYSA-N 0 1 442.563 3.420 50 0 IGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)ccc1C ZINC000031552270 569456719 /nfs/dbraw/zinc/45/67/19/569456719.db2.gz ZNCCKIZLUKPMRU-OAHLLOKOSA-N 0 1 447.557 3.294 50 0 IGAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)cc1OCC ZINC000008845251 569478726 /nfs/dbraw/zinc/47/87/26/569478726.db2.gz LFQJCRCFXNJIQQ-QHCPKHFHSA-N 0 1 437.496 3.426 50 0 IGAAMN NS(=O)(=O)c1ccc(NC(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000039992535 569482392 /nfs/dbraw/zinc/48/23/92/569482392.db2.gz DLHNMZJEYWDMIC-HXUWFJFHSA-N 0 1 447.607 3.433 50 0 IGAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)CCN2CCSC2=O)c1 ZINC000039998397 569482477 /nfs/dbraw/zinc/48/24/77/569482477.db2.gz WVHXQLFGIGYUOT-UHFFFAOYSA-N 0 1 449.554 3.302 50 0 IGAAMN Cc1nnc(SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)n1-c1ccccc1 ZINC000009254852 569516427 /nfs/dbraw/zinc/51/64/27/569516427.db2.gz CBKANUQKIHSGPQ-UHFFFAOYSA-N 0 1 436.585 3.367 50 0 IGAAMN Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009465604 569537985 /nfs/dbraw/zinc/53/79/85/569537985.db2.gz QZRYHIYDAFSRCR-HXUWFJFHSA-N 0 1 445.585 3.330 50 0 IGAAMN CN(C)CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cccc2F)s1 ZINC000009707968 569561766 /nfs/dbraw/zinc/56/17/66/569561766.db2.gz SDWBDFRGCQDCMX-UHFFFAOYSA-N 0 1 435.546 3.437 50 0 IGAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000009778053 569567173 /nfs/dbraw/zinc/56/71/73/569567173.db2.gz GWOBXKQTLBEVKZ-FCHUYYIVSA-N 0 1 426.428 3.476 50 0 IGAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCc4ccccc4C3)cs2)cc1 ZINC000009828625 569569812 /nfs/dbraw/zinc/56/98/12/569569812.db2.gz DSBFWOSHYFVDOP-UHFFFAOYSA-N 0 1 443.550 3.080 50 0 IGAAMN Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000071279903 569573576 /nfs/dbraw/zinc/57/35/76/569573576.db2.gz YDLOAGMPHSVHKW-AWEZNQCLSA-N 0 1 426.439 3.217 50 0 IGAAMN 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