smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)[C@H](O)c6ccccc6)[C@H]5SC4)CC3)c(F)cc2c1=O ZINC000003926192 561686615 /nfs/dbraw/zinc/68/66/15/561686615.db2.gz CMIOGCSQKHQMAE-LMGPPYNSSA-N -1 2 677.711 1.768 1 0 KDAFLM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)[C@H](C)[C@H]12 ZINC000003926200 561686682 /nfs/dbraw/zinc/68/66/82/561686682.db2.gz OTKFKEXEFQNULP-ZSCXYPBFSA-N -1 2 598.584 1.629 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000013556662 561718700 /nfs/dbraw/zinc/71/87/00/561718700.db2.gz YRTLDEAFCNEDIY-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000013556662 561718699 /nfs/dbraw/zinc/71/86/99/561718699.db2.gz YRTLDEAFCNEDIY-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1cccnc1 ZINC000013556664 561718643 /nfs/dbraw/zinc/71/86/43/561718643.db2.gz GRERUUFJINNZMA-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1cccnc1 ZINC000013556664 561718642 /nfs/dbraw/zinc/71/86/42/561718642.db2.gz GRERUUFJINNZMA-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncc1 ZINC000013556666 561718654 /nfs/dbraw/zinc/71/86/54/561718654.db2.gz HIOMXCQEOYHXBJ-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncc1 ZINC000013556666 561718653 /nfs/dbraw/zinc/71/86/53/561718653.db2.gz HIOMXCQEOYHXBJ-SFTDATJTSA-N -1 2 506.496 1.448 1 0 KDAFLM O=C([O-])C[C@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)OCc1ccccc1)CC3)C(=O)CF ZINC000013912112 561735691 /nfs/dbraw/zinc/73/56/91/561735691.db2.gz ACMIMPKMLMDEEA-UFYCRDLUSA-N -1 2 511.506 1.684 1 0 KDAFLM COc1cnc(OC)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2CO[P@](=O)([O-])O ZINC000014210886 561737941 /nfs/dbraw/zinc/73/79/41/561737941.db2.gz XRPBBDPLUJBGJD-UHFFFAOYSA-N -1 2 532.446 1.288 1 0 investigational KDAFLM COc1cnc(OC)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2CO[P@@](=O)([O-])O ZINC000014210886 561737939 /nfs/dbraw/zinc/73/79/39/561737939.db2.gz XRPBBDPLUJBGJD-UHFFFAOYSA-N -1 2 532.446 1.288 1 0 investigational KDAFLM CS(=O)(=O)N[C@@H](COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)Cc1ccc(O)cc1 ZINC000014944081 561742124 /nfs/dbraw/zinc/74/21/24/561742124.db2.gz WMWXMWABKUQJNC-OAHLLOKOSA-N -1 2 545.522 1.756 1 0 KDAFLM CS(=O)(=O)N[C@H](COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)Cc1ccc(O)cc1 ZINC000014944084 561742113 /nfs/dbraw/zinc/74/21/13/561742113.db2.gz WMWXMWABKUQJNC-HNNXBMFYSA-N -1 2 545.522 1.756 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(C)cc2)no1 ZINC000014944779 561742585 /nfs/dbraw/zinc/74/25/85/561742585.db2.gz KRWYKNGWCCKFER-SFTDATJTSA-N -1 2 559.516 1.611 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(C)cc2)no1 ZINC000014944779 561742583 /nfs/dbraw/zinc/74/25/83/561742583.db2.gz KRWYKNGWCCKFER-SFTDATJTSA-N -1 2 559.516 1.611 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944784 561742572 /nfs/dbraw/zinc/74/25/72/561742572.db2.gz VZQXIGAXDCJZAG-PMACEKPBSA-N -1 2 579.934 1.956 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944784 561742570 /nfs/dbraw/zinc/74/25/70/561742570.db2.gz VZQXIGAXDCJZAG-PMACEKPBSA-N -1 2 579.934 1.956 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc(Cl)c2)no1 ZINC000014944786 561742538 /nfs/dbraw/zinc/74/25/38/561742538.db2.gz NFMCTQGKMDAJQF-PMACEKPBSA-N -1 2 579.934 1.956 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc(Cl)c2)no1 ZINC000014944786 561742537 /nfs/dbraw/zinc/74/25/37/561742537.db2.gz NFMCTQGKMDAJQF-PMACEKPBSA-N -1 2 579.934 1.956 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1 ZINC000014944794 561742518 /nfs/dbraw/zinc/74/25/18/561742518.db2.gz GIJAQVNGVKJURF-SFTDATJTSA-N -1 2 559.516 1.497 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1 ZINC000014944794 561742517 /nfs/dbraw/zinc/74/25/17/561742517.db2.gz GIJAQVNGVKJURF-SFTDATJTSA-N -1 2 559.516 1.497 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(N)=O)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944815 561742664 /nfs/dbraw/zinc/74/26/64/561742664.db2.gz HFLXZSHQGGERJR-OALUTQOASA-N -1 2 599.459 1.931 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(N)=O)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944815 561742662 /nfs/dbraw/zinc/74/26/62/561742662.db2.gz HFLXZSHQGGERJR-OALUTQOASA-N -1 2 599.459 1.931 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944819 561742654 /nfs/dbraw/zinc/74/26/54/561742654.db2.gz FLVMMIWHFJEILS-OALUTQOASA-N -1 2 538.881 1.682 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944819 561742651 /nfs/dbraw/zinc/74/26/51/561742651.db2.gz FLVMMIWHFJEILS-OALUTQOASA-N -1 2 538.881 1.682 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1 ZINC000014944820 561742777 /nfs/dbraw/zinc/74/27/77/561742777.db2.gz PHSXDWBMLSLWQF-OALUTQOASA-N -1 2 522.426 1.168 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1 ZINC000014944820 561742776 /nfs/dbraw/zinc/74/27/76/561742776.db2.gz PHSXDWBMLSLWQF-OALUTQOASA-N -1 2 522.426 1.168 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Br)cc2)no1 ZINC000014944822 561742727 /nfs/dbraw/zinc/74/27/27/561742727.db2.gz GMGJVHCPGITVRO-OALUTQOASA-N -1 2 583.332 1.791 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Br)cc2)no1 ZINC000014944822 561742726 /nfs/dbraw/zinc/74/27/26/561742726.db2.gz GMGJVHCPGITVRO-OALUTQOASA-N -1 2 583.332 1.791 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000014944824 561742705 /nfs/dbraw/zinc/74/27/05/561742705.db2.gz QORDHESRPJEYMQ-PMACEKPBSA-N -1 2 545.489 1.302 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000014944824 561742702 /nfs/dbraw/zinc/74/27/02/561742702.db2.gz QORDHESRPJEYMQ-PMACEKPBSA-N -1 2 545.489 1.302 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000014973032 561751691 /nfs/dbraw/zinc/75/16/91/561751691.db2.gz NIYHWGHEFQDCBV-SDHOMARFSA-N -1 2 631.623 1.465 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000014973032 561751690 /nfs/dbraw/zinc/75/16/90/561751690.db2.gz NIYHWGHEFQDCBV-SDHOMARFSA-N -1 2 631.623 1.465 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c([O-])cc(C(=O)N[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026147766 561767285 /nfs/dbraw/zinc/76/72/85/561767285.db2.gz QRBLWZIADYBYNA-RTBURBONSA-N -1 2 549.536 1.719 1 0 KDAFLM COC(=O)c1cccc(CN2CCSC[C@H](NC(=O)[C@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(C)=O)C2=O)c1 ZINC000026189789 561773303 /nfs/dbraw/zinc/77/33/03/561773303.db2.gz NSKXUNLJOHVKGB-VXKWHMMOSA-N -1 2 579.568 1.252 1 0 KDAFLM COC(=O)c1cccc(CN2CCSC[C@H](NC(=O)[C@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(C)=O)C2=O)c1 ZINC000026189789 561773302 /nfs/dbraw/zinc/77/33/02/561773302.db2.gz NSKXUNLJOHVKGB-VXKWHMMOSA-N -1 2 579.568 1.252 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(CC(=O)c2ccc(N(C)C)cc2)C1=O ZINC000026189793 561773317 /nfs/dbraw/zinc/77/33/17/561773317.db2.gz YTEROOLBYBKODG-GOTSBHOMSA-N -1 2 592.611 1.214 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(CC(=O)c2ccc(N(C)C)cc2)C1=O ZINC000026189793 561773316 /nfs/dbraw/zinc/77/33/16/561773316.db2.gz YTEROOLBYBKODG-GOTSBHOMSA-N -1 2 592.611 1.214 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@@H](O)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026248454 561773768 /nfs/dbraw/zinc/77/37/68/561773768.db2.gz OWJIKBAZUBPKGN-HZUJVAHNSA-N -1 2 537.477 1.917 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCS(=O)(=O)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026251205 561774120 /nfs/dbraw/zinc/77/41/20/561774120.db2.gz XBPFVZLERGRBPY-PGRDOPGGSA-N -1 2 599.570 1.971 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc3c(c2Cl)OCO3)C1=O ZINC000026263365 561775901 /nfs/dbraw/zinc/77/59/01/561775901.db2.gz UVMLMIVACSMVES-OALUTQOASA-N -1 2 599.986 1.848 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc3c(c2Cl)OCO3)C1=O ZINC000026263365 561775899 /nfs/dbraw/zinc/77/58/99/561775899.db2.gz UVMLMIVACSMVES-OALUTQOASA-N -1 2 599.986 1.848 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@H](O)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026269486 561776953 /nfs/dbraw/zinc/77/69/53/561776953.db2.gz OWJIKBAZUBPKGN-LDBYXDLTSA-N -1 2 537.477 1.917 1 0 KDAFLM CCCCCCc1noc([C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1 ZINC000026394296 561786530 /nfs/dbraw/zinc/78/65/30/561786530.db2.gz VPVFRGMGTCZSPD-OALUTQOASA-N -1 2 539.526 1.834 1 0 KDAFLM CCCCCCc1noc([C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1 ZINC000026394296 561786527 /nfs/dbraw/zinc/78/65/27/561786527.db2.gz VPVFRGMGTCZSPD-OALUTQOASA-N -1 2 539.526 1.834 1 0 KDAFLM CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026396694 561787180 /nfs/dbraw/zinc/78/71/80/561787180.db2.gz SIXGXRZCYDCNFL-JPEVHGAISA-N -1 2 578.530 1.918 1 0 KDAFLM CNC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026396699 561787152 /nfs/dbraw/zinc/78/71/52/561787152.db2.gz SIXGXRZCYDCNFL-GKIWIXTESA-N -1 2 578.530 1.918 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@H](O)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026398970 561787879 /nfs/dbraw/zinc/78/78/79/561787879.db2.gz OWJIKBAZUBPKGN-QLVMHMETSA-N -1 2 537.477 1.917 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@@H](O)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026398975 561787968 /nfs/dbraw/zinc/78/79/68/561787968.db2.gz OWJIKBAZUBPKGN-LUQKVYGDSA-N -1 2 537.477 1.917 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CC2CCCCC2)no1 ZINC000026401272 561788339 /nfs/dbraw/zinc/78/83/39/561788339.db2.gz MHLQUUUHCROQLQ-PMACEKPBSA-N -1 2 551.537 1.834 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CC2CCCCC2)no1 ZINC000026401272 561788337 /nfs/dbraw/zinc/78/83/37/561788337.db2.gz MHLQUUUHCROQLQ-PMACEKPBSA-N -1 2 551.537 1.834 1 0 KDAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCS(=O)(=O)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026401588 561788497 /nfs/dbraw/zinc/78/84/97/561788497.db2.gz XBPFVZLERGRBPY-XMSQKQJNSA-N -1 2 599.570 1.971 1 0 KDAFLM CS(=O)(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026402082 561788657 /nfs/dbraw/zinc/78/86/57/561788657.db2.gz DKOCZDDCSUQYTF-RADWXHQJSA-N -1 2 599.570 1.969 1 0 KDAFLM CS(=O)(=O)[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026402084 561788679 /nfs/dbraw/zinc/78/86/79/561788679.db2.gz DKOCZDDCSUQYTF-AQOAWAETSA-N -1 2 599.570 1.969 1 0 KDAFLM CCCCc1noc([C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1 ZINC000026402135 561788654 /nfs/dbraw/zinc/78/86/54/561788654.db2.gz LWKCPLHWIFYSEF-IRXDYDNUSA-N -1 2 511.472 1.054 1 0 KDAFLM CCCCc1noc([C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1 ZINC000026402135 561788653 /nfs/dbraw/zinc/78/86/53/561788653.db2.gz LWKCPLHWIFYSEF-IRXDYDNUSA-N -1 2 511.472 1.054 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCC(C)C)no1 ZINC000026402472 561788795 /nfs/dbraw/zinc/78/87/95/561788795.db2.gz ZNSOGWWCOLXTJZ-ROUUACIJSA-N -1 2 525.499 1.300 1 0 KDAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCC(C)C)no1 ZINC000026402472 561788794 /nfs/dbraw/zinc/78/87/94/561788794.db2.gz ZNSOGWWCOLXTJZ-ROUUACIJSA-N -1 2 525.499 1.300 1 0 KDAFLM CC(C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000026655636 561809344 /nfs/dbraw/zinc/80/93/44/561809344.db2.gz 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/nfs/dbraw/zinc/79/62/27/562796227.db2.gz ZXESGTVDOBQMLC-CHQNGUEUSA-N -1 2 780.772 1.560 1 0 KDAFLM NC(=O)CC[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1 ZINC000096300936 562796226 /nfs/dbraw/zinc/79/62/26/562796226.db2.gz ZXESGTVDOBQMLC-CHQNGUEUSA-N -1 2 780.772 1.560 1 0 KDAFLM CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH+]cn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000096905520 562798507 /nfs/dbraw/zinc/79/85/07/562798507.db2.gz MRAPYLRPXRROPZ-ZZTWKDBPSA-N -1 2 811.978 1.947 1 0 KDAFLM CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH+]cn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000096905522 562798497 /nfs/dbraw/zinc/79/84/97/562798497.db2.gz DOFSGXMEXDNSSX-LJADHVKFSA-N -1 2 797.951 1.557 1 0 KDAFLM CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO[P@](=O)([O-])O)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908004 562799293 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/nfs/dbraw/zinc/83/65/57/562836557.db2.gz GUILYDHMFXRLNK-KRWDZBQOSA-N -1 2 511.603 1.460 1 0 KDAFLM COc1c(C)c2c(c(O)c1CCO[P@](=O)([O-])C[P@@](=O)([O-])OC[C@H]1O[C@@H](n3c[nH+]c4c3cccc4N)[C@H](O)[C@@H]1O)C(=O)OC2 ZINC000150591184 562846213 /nfs/dbraw/zinc/84/62/13/562846213.db2.gz SOKFCLVTQVNBFT-ZAHKBLQYSA-N -1 2 643.479 1.535 1 0 KDAFLM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCn1cc(COCCOCCOc2ccc(CO[P@@](=O)([O-])O)cc2)nn1 ZINC000169324679 562857391 /nfs/dbraw/zinc/85/73/91/562857391.db2.gz DISDUTIDPHLTSZ-KLJDGLGGSA-N -1 2 686.725 1.358 1 0 KDAFLM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCn1cc(COCCOCCOc2ccc(CO[P@](=O)([O-])O)cc2)nn1 ZINC000169324679 562857390 /nfs/dbraw/zinc/85/73/90/562857390.db2.gz DISDUTIDPHLTSZ-KLJDGLGGSA-N -1 2 686.725 1.358 1 0 KDAFLM NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CCC2CCCCC2)CCCCC1)C(N)=O ZINC000169327624 562858168 /nfs/dbraw/zinc/85/81/68/562858168.db2.gz OOYFFCJEPZNQRV-GOTSBHOMSA-N -1 2 637.671 1.211 1 0 KDAFLM NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CCC2CCCCC2)CCCCC1)C(N)=O ZINC000169327624 562858167 /nfs/dbraw/zinc/85/81/67/562858167.db2.gz OOYFFCJEPZNQRV-GOTSBHOMSA-N -1 2 637.671 1.211 1 0 KDAFLM O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H]1O ZINC000299834061 562886374 /nfs/dbraw/zinc/88/63/74/562886374.db2.gz RIBKOHFWGDNUSH-UMCMBGNQSA-N -1 2 527.474 1.762 1 0 KDAFLM O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H]1O ZINC000299834061 562886373 /nfs/dbraw/zinc/88/63/73/562886373.db2.gz RIBKOHFWGDNUSH-UMCMBGNQSA-N -1 2 527.474 1.762 1 0 KDAFLM COc1ncc(-c2ccc3nc(=NC(=O)NCC(=O)N4CCOCC4)[n-]n3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473097013 562897889 /nfs/dbraw/zinc/89/78/89/562897889.db2.gz BQXGFTKZRMUKEA-UHFFFAOYSA-N -1 2 584.590 1.142 1 0 KDAFLM COc1ncc(-c2ccc3nc(=NC(=O)NCCN4CCOCC4)[n-]n3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473097848 562897960 /nfs/dbraw/zinc/89/79/60/562897960.db2.gz DIJARPLLNQUOIO-UHFFFAOYSA-N -1 2 570.607 1.615 1 0 KDAFLM COc1ncc(-c2ccc3nc(=NC(=O)NCC(=O)N4CCCC4)[n-]n3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473104201 562898148 /nfs/dbraw/zinc/89/81/48/562898148.db2.gz ORGODRQWHUVBIJ-UHFFFAOYSA-N -1 2 568.591 1.906 1 0 KDAFLM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c[nH+]3)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c3ccccc32)cc1 ZINC000473113996 562898846 /nfs/dbraw/zinc/89/88/46/562898846.db2.gz HZMBENUCUXIBJO-FGZHOGPDSA-N -1 2 609.617 1.254 1 0 KDAFLM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH+]c[nH]3)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c3ccccc32)cc1 ZINC000473113996 562898845 /nfs/dbraw/zinc/89/88/45/562898845.db2.gz HZMBENUCUXIBJO-FGZHOGPDSA-N -1 2 609.617 1.254 1 0 KDAFLM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c3ccccc32)cc1 ZINC000473113999 562898850 /nfs/dbraw/zinc/89/88/50/562898850.db2.gz HZMBENUCUXIBJO-VXKWHMMOSA-N -1 2 609.617 1.254 1 0 KDAFLM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c3ccccc32)cc1 ZINC000473113999 562898849 /nfs/dbraw/zinc/89/88/49/562898849.db2.gz HZMBENUCUXIBJO-VXKWHMMOSA-N -1 2 609.617 1.254 1 0 KDAFLM CCCC[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000653804985 562913615 /nfs/dbraw/zinc/91/36/15/562913615.db2.gz JISIEEAXVGEJMO-FWEHEUNISA-N -1 2 659.677 1.084 1 0 KDAFLM CCCC[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000653804985 562913614 /nfs/dbraw/zinc/91/36/14/562913614.db2.gz JISIEEAXVGEJMO-FWEHEUNISA-N -1 2 659.677 1.084 1 0 KDAFLM