smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H]([NH2+][C@@H](CCc1ccccc1)[P@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000003795596 561682501 /nfs/dbraw/zinc/68/25/01/561682501.db2.gz BGHPOLZHWXBMGO-KMDXXIMOSA-N -1 2 515.547 3.421 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@@H](CCc1ccccc1)[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000003795596 561682500 /nfs/dbraw/zinc/68/25/00/561682500.db2.gz BGHPOLZHWXBMGO-KMDXXIMOSA-N -1 2 515.547 3.421 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@@H](CCc1ccc(O)cc1)[P@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000003931920 561687624 /nfs/dbraw/zinc/68/76/24/561687624.db2.gz VPYRQVBWFJEUQC-KMDXXIMOSA-N -1 2 531.546 3.126 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@@H](CCc1ccc(O)cc1)[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000003931920 561687622 /nfs/dbraw/zinc/68/76/22/561687622.db2.gz VPYRQVBWFJEUQC-KMDXXIMOSA-N -1 2 531.546 3.126 1 0 KGAFLM CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000003978755 561692160 /nfs/dbraw/zinc/69/21/60/561692160.db2.gz CIABKNUIMXQZSP-MZBJOSPHSA-N -1 2 612.705 3.060 1 0 KGAFLM CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000003978755 561692159 /nfs/dbraw/zinc/69/21/59/561692159.db2.gz CIABKNUIMXQZSP-MZBJOSPHSA-N -1 2 612.705 3.060 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000003979519 561692255 /nfs/dbraw/zinc/69/22/55/561692255.db2.gz SAFPHFWYRLLBFO-NSOVKSMOSA-N -1 2 607.600 3.382 1 0 in-vivo KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000003979519 561692253 /nfs/dbraw/zinc/69/22/53/561692253.db2.gz SAFPHFWYRLLBFO-NSOVKSMOSA-N -1 2 607.600 3.382 1 0 in-vivo KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000003981533 561692525 /nfs/dbraw/zinc/69/25/25/561692525.db2.gz KVCLASFFEYSLKL-DJJJIMSYSA-N -1 2 556.434 3.075 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000003981533 561692523 /nfs/dbraw/zinc/69/25/23/561692523.db2.gz KVCLASFFEYSLKL-DJJJIMSYSA-N -1 2 556.434 3.075 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013474180 561714414 /nfs/dbraw/zinc/71/44/14/561714414.db2.gz AOKOQPGMOAIBCE-DENIHFKCSA-N -1 2 505.479 3.241 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013474183 561714442 /nfs/dbraw/zinc/71/44/42/561714442.db2.gz OVJZHEDXGAPGDA-XMSQKQJNSA-N -1 2 507.495 3.306 1 0 KGAFLM Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2-c1ccc(CCO[P@](=O)([O-])C[P@](=O)([O-])O)cc1 ZINC000013538667 561718009 /nfs/dbraw/zinc/71/80/09/561718009.db2.gz OCMKLNMSJRFUHF-UHFFFAOYSA-N -1 2 504.376 3.255 1 0 KGAFLM Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2-c1ccc(CCO[P@](=O)([O-])C[P@@](=O)([O-])O)cc1 ZINC000013538667 561718007 /nfs/dbraw/zinc/71/80/07/561718007.db2.gz OCMKLNMSJRFUHF-UHFFFAOYSA-N -1 2 504.376 3.255 1 0 KGAFLM Cc1[nH+]c(N)nc2c1c(CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)cn2Cc1ccccc1 ZINC000013814088 561731994 /nfs/dbraw/zinc/73/19/94/561731994.db2.gz XYVUDAYNSCLZJK-QFIPXVFZSA-N -1 2 515.570 3.203 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@H](CCc1ccccc1)[P@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013903154 561735636 /nfs/dbraw/zinc/73/56/36/561735636.db2.gz BGHPOLZHWXBMGO-HJOGWXRNSA-N -1 2 515.547 3.421 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@H](CCc1ccccc1)[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013903154 561735634 /nfs/dbraw/zinc/73/56/34/561735634.db2.gz BGHPOLZHWXBMGO-HJOGWXRNSA-N -1 2 515.547 3.421 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@H](CCc1ccc(O)cc1)[P@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013903158 561735608 /nfs/dbraw/zinc/73/56/08/561735608.db2.gz VPYRQVBWFJEUQC-HJOGWXRNSA-N -1 2 531.546 3.126 1 0 KGAFLM CC(C)C[C@H]([NH2+][C@H](CCc1ccc(O)cc1)[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013903158 561735606 /nfs/dbraw/zinc/73/56/06/561735606.db2.gz VPYRQVBWFJEUQC-HJOGWXRNSA-N -1 2 531.546 3.126 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H](Cc2ccc(O)cc2)NS(=O)(=O)c2ccccc2)cc1O ZINC000014944077 561742029 /nfs/dbraw/zinc/74/20/29/561742029.db2.gz PQWWKDOKHDWZBH-LJQANCHMSA-N -1 2 607.593 3.185 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@H](Cc2ccc(O)cc2)NS(=O)(=O)c2ccccc2)cc1O ZINC000014944079 561741975 /nfs/dbraw/zinc/74/19/75/561741975.db2.gz PQWWKDOKHDWZBH-IBGZPJMESA-N -1 2 607.593 3.185 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(O)cc2)cc1O ZINC000014944090 561742167 /nfs/dbraw/zinc/74/21/67/561742167.db2.gz VPEJFQOFLQHCIE-LJQANCHMSA-N -1 2 587.537 3.342 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(O)cc2)cc1O ZINC000014944093 561742095 /nfs/dbraw/zinc/74/20/95/561742095.db2.gz VPEJFQOFLQHCIE-IBGZPJMESA-N -1 2 587.537 3.342 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H](NS(=O)(=O)c2ccccc2)c2ccc(O)cc2)cc1O ZINC000014944095 561742151 /nfs/dbraw/zinc/74/21/51/561742151.db2.gz VMKYWYSMWRGVAG-OAQYLSRUSA-N -1 2 593.566 3.315 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@H](NS(=O)(=O)c2ccccc2)c2ccc(O)cc2)cc1O ZINC000014944097 561742131 /nfs/dbraw/zinc/74/21/31/561742131.db2.gz VMKYWYSMWRGVAG-NRFANRHFSA-N -1 2 593.566 3.315 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H](COc2ccc(O)cc2)NS(=O)(=O)c2ccccc2)cc1O ZINC000014944100 561742086 /nfs/dbraw/zinc/74/20/86/561742086.db2.gz ZMNWXCJLFBVMEJ-GOSISDBHSA-N -1 2 623.592 3.021 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@H](COc2ccc(O)cc2)NS(=O)(=O)c2ccccc2)cc1O ZINC000014944102 561742127 /nfs/dbraw/zinc/74/21/27/561742127.db2.gz ZMNWXCJLFBVMEJ-SFHVURJKSA-N -1 2 623.592 3.021 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000014944798 561742526 /nfs/dbraw/zinc/74/25/26/561742526.db2.gz LTKNHLFBZVXJTB-DJJJIMSYSA-N -1 2 556.434 3.075 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000014944798 561742525 /nfs/dbraw/zinc/74/25/25/561742525.db2.gz LTKNHLFBZVXJTB-DJJJIMSYSA-N -1 2 556.434 3.075 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)c(Br)c2)no1 ZINC000014944806 561742716 /nfs/dbraw/zinc/74/27/16/561742716.db2.gz OGLXRPDNTVQARA-BUXKBTBVSA-N -1 2 601.778 3.472 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)c(Br)c2)no1 ZINC000014944806 561742714 /nfs/dbraw/zinc/74/27/14/561742714.db2.gz OGLXRPDNTVQARA-BUXKBTBVSA-N -1 2 601.778 3.472 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NC(C)(C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944808 561742742 /nfs/dbraw/zinc/74/27/42/561742742.db2.gz LMGAVKSWOBWZTJ-IBGZPJMESA-N -1 2 570.461 3.249 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NC(C)(C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944808 561742741 /nfs/dbraw/zinc/74/27/41/561742741.db2.gz LMGAVKSWOBWZTJ-IBGZPJMESA-N -1 2 570.461 3.249 1 0 KGAFLM CC[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944817 561742754 /nfs/dbraw/zinc/74/27/54/561742754.db2.gz NCNFOMVSWVEWQY-PMACEKPBSA-N -1 2 570.461 3.465 1 0 KGAFLM CC[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944817 561742753 /nfs/dbraw/zinc/74/27/53/561742753.db2.gz NCNFOMVSWVEWQY-PMACEKPBSA-N -1 2 570.461 3.465 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944830 561742771 /nfs/dbraw/zinc/74/27/71/561742771.db2.gz CBNCEXIXRUFMGU-BUXKBTBVSA-N -1 2 557.327 3.363 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944830 561742770 /nfs/dbraw/zinc/74/27/70/561742770.db2.gz CBNCEXIXRUFMGU-BUXKBTBVSA-N -1 2 557.327 3.363 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944832 561742671 /nfs/dbraw/zinc/74/26/71/561742671.db2.gz BOPDYYROOJKDMG-HJPURHCSSA-N -1 2 538.497 3.210 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944832 561742669 /nfs/dbraw/zinc/74/26/69/561742669.db2.gz BOPDYYROOJKDMG-HJPURHCSSA-N -1 2 538.497 3.210 1 0 KGAFLM COc1ccc(CNC(=O)c2cc(O)c3c(=O)cc(OCCc4ccc(NC(=O)C(=O)[O-])c(OC)c4)cc-3o2)cc1 ZINC000014980340 561752884 /nfs/dbraw/zinc/75/28/84/561752884.db2.gz MLDHFNNJFGENAK-UHFFFAOYSA-N -1 2 562.531 3.090 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026146562 561767201 /nfs/dbraw/zinc/76/72/01/561767201.db2.gz ZOGSVRRXRLSQNC-HNAYVOBHSA-N -1 2 535.505 3.194 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCSC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026253866 561774570 /nfs/dbraw/zinc/77/45/70/561774570.db2.gz VBBJIIXIIXRQOK-PGRDOPGGSA-N -1 2 567.572 3.289 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCSC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026394883 561786659 /nfs/dbraw/zinc/78/66/59/561786659.db2.gz VBBJIIXIIXRQOK-XMSQKQJNSA-N -1 2 567.572 3.289 1 0 KGAFLM CC(C)(NC(=O)CCc1ccc(O)c([P@](=O)([O-])O)c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026397008 561787292 /nfs/dbraw/zinc/78/72/92/561787292.db2.gz JBUDQDMQINLEDE-UHFFFAOYSA-N -1 2 518.547 3.237 1 0 KGAFLM CC(C)(NC(=O)CCc1ccc(O)c([P@@](=O)([O-])O)c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026397008 561787290 /nfs/dbraw/zinc/78/72/90/561787290.db2.gz JBUDQDMQINLEDE-UHFFFAOYSA-N -1 2 518.547 3.237 1 0 KGAFLM CC(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026398085 561787560 /nfs/dbraw/zinc/78/75/60/561787560.db2.gz OLJMSXRNFOUYJF-BXKMTCNYSA-N -1 2 561.572 3.141 1 0 KGAFLM CC(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026398085 561787559 /nfs/dbraw/zinc/78/75/59/561787559.db2.gz OLJMSXRNFOUYJF-BXKMTCNYSA-N -1 2 561.572 3.141 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026398089 561787688 /nfs/dbraw/zinc/78/76/88/561787688.db2.gz OLJMSXRNFOUYJF-XDHUDOTRSA-N -1 2 561.572 3.141 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026398089 561787687 /nfs/dbraw/zinc/78/76/87/561787687.db2.gz OLJMSXRNFOUYJF-XDHUDOTRSA-N -1 2 561.572 3.141 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@@H](C(=O)C(F)(F)F)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026403252 561788945 /nfs/dbraw/zinc/78/89/45/561788945.db2.gz KLTAXINXABHYMC-KPFBPEDLSA-N -1 2 617.485 3.304 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@H](C(=O)C(F)(F)F)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026403256 561788924 /nfs/dbraw/zinc/78/89/24/561788924.db2.gz KLTAXINXABHYMC-QKAVXHIFSA-N -1 2 617.485 3.304 1 0 KGAFLM O=C([O-])CCCCCCC(=O)Nc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 ZINC000026576511 561800362 /nfs/dbraw/zinc/80/03/62/561800362.db2.gz ACGGZTKDDKCUTM-GJEUYDLNSA-N -1 2 586.670 3.398 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578275 561803101 /nfs/dbraw/zinc/80/31/01/561803101.db2.gz AOKOQPGMOAIBCE-SIKLNZKXSA-N -1 2 505.479 3.241 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1ccc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578276 561803155 /nfs/dbraw/zinc/80/31/55/561803155.db2.gz AOKOQPGMOAIBCE-UGKGYDQZSA-N -1 2 505.479 3.241 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1ccc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578277 561803121 /nfs/dbraw/zinc/80/31/21/561803121.db2.gz AOKOQPGMOAIBCE-KNQAVFIVSA-N -1 2 505.479 3.241 1 0 KGAFLM CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580266 561805795 /nfs/dbraw/zinc/80/57/95/561805795.db2.gz LNGVSUMAWMVJPO-DFBJGRDBSA-N -1 2 605.541 3.473 1 0 KGAFLM CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580267 561805784 /nfs/dbraw/zinc/80/57/84/561805784.db2.gz LNGVSUMAWMVJPO-UQBPGWFLSA-N -1 2 605.541 3.473 1 0 KGAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026637964 561806095 /nfs/dbraw/zinc/80/60/95/561806095.db2.gz OVJZHEDXGAPGDA-PGRDOPGGSA-N -1 2 507.495 3.306 1 0 KGAFLM 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CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(C(C)(C)C)cc2)C1=O ZINC000028755779 561955712 /nfs/dbraw/zinc/95/57/12/561955712.db2.gz KIFQSOOTOUCFGO-DQEYMECFSA-N -1 2 559.600 3.200 1 0 KGAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(C(C)(C)C)cc2)C1=O ZINC000028755779 561955710 /nfs/dbraw/zinc/95/57/10/561955710.db2.gz KIFQSOOTOUCFGO-DQEYMECFSA-N -1 2 559.600 3.200 1 0 KGAFLM CCCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(C)=O)C2=O)cc1 ZINC000028756845 561956460 /nfs/dbraw/zinc/95/64/60/561956460.db2.gz OFEHEEJMEFTGOA-UIOOFZCWSA-N -1 2 559.600 3.245 1 0 KGAFLM CCCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(C)=O)C2=O)cc1 ZINC000028756845 561956458 /nfs/dbraw/zinc/95/64/58/561956458.db2.gz OFEHEEJMEFTGOA-UIOOFZCWSA-N -1 2 559.600 3.245 1 0 KGAFLM O=C(N[C@H]1CSCCN(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000028757672 561956948 /nfs/dbraw/zinc/95/69/48/561956948.db2.gz 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