smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000003807189 561682618 /nfs/dbraw/zinc/68/26/18/561682618.db2.gz VAAIPUDWNISVQB-IBGZPJMESA-N -1 0 529.561 1.590 1 0 KDAFRM C[C@H]([NH2+][C@@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003814188 561682900 /nfs/dbraw/zinc/68/29/00/561682900.db2.gz AMUOMYNSVLFGSU-CQDKDKBSSA-N -1 0 517.320 1.517 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2ccc(C)nc21 ZINC000003914060 561684396 /nfs/dbraw/zinc/68/43/96/561684396.db2.gz IWWIUQAVUVCCJD-QFQXNSOFSA-N -1 0 578.603 1.699 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCN(C=O)CC3)cc21 ZINC000003914061 561684424 /nfs/dbraw/zinc/68/44/24/561684424.db2.gz GHTXWGBEQFZCPN-DLFZDVPBSA-N -1 0 693.710 1.413 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc3c(cc21)OCO3 ZINC000003914063 561684455 /nfs/dbraw/zinc/68/44/55/561684455.db2.gz ZFHOUKINXHANPE-YIXXDRMTSA-N -1 0 607.597 1.725 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)c(=O)c2cc3c(cc21)OCO3 ZINC000003914064 561684398 /nfs/dbraw/zinc/68/43/98/561684398.db2.gz QDHVVWBAMJFODI-PXDATVDWSA-N -1 0 597.627 1.950 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCN(C=O)CC3)cc21 ZINC000003914065 561684419 /nfs/dbraw/zinc/68/44/19/561684419.db2.gz UYHOAGSPVLSZBJ-VAVYLYDRSA-N -1 0 683.740 1.639 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCC(=O)Nc3ncc[nH]3)C2)C(=O)[O-])c(C)c1 ZINC000003923706 561686201 /nfs/dbraw/zinc/68/62/01/561686201.db2.gz WASHWFMKJZQLLD-WMZOPIPTSA-N -1 0 534.595 1.137 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)c3cn(CCF)c4c(F)c(N5CCN(C)CC5)c(F)cc4c3=O)S[C@H]12 ZINC000003926198 561686595 /nfs/dbraw/zinc/68/65/95/561686595.db2.gz MQURHDDZDFMBHR-LXIJGPRFSA-N -1 0 596.584 1.366 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)c3cn(CCF)c4c(F)c(N5CCN(C)CC5)c(F)cc4c3=O)C[C@H]12 ZINC000003927284 561686885 /nfs/dbraw/zinc/68/68/85/561686885.db2.gz FKEBWKDHDUGZDQ-UPRAQXHNSA-N -1 0 578.544 1.108 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(OCC(=O)[O-])c(O)c1)NC(C)=O ZINC000003928691 561687032 /nfs/dbraw/zinc/68/70/32/561687032.db2.gz QEANZBIJPCAREV-QGZVFWFLSA-N -1 0 518.519 1.370 1 0 KDAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccccc2C1=O)[P@@](=O)([O-])O ZINC000003930590 561687343 /nfs/dbraw/zinc/68/73/43/561687343.db2.gz UUWBLGDAFQCIKB-VABKMULXSA-N -1 0 558.572 1.654 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O ZINC000003932929 561687916 /nfs/dbraw/zinc/68/79/16/561687916.db2.gz ULELQXPHOSNTHT-HKUYNNGSSA-N -1 0 528.591 1.960 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000003935628 561688352 /nfs/dbraw/zinc/68/83/52/561688352.db2.gz RCNHPBQFWAPIOX-SFTDATJTSA-N -1 0 524.659 1.504 1 0 KDAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CON1C(=O)Cc2ccccc21 ZINC000003940931 561689339 /nfs/dbraw/zinc/68/93/39/561689339.db2.gz OLYLSOAGERLSAX-JCWFFFCVSA-N -1 0 582.610 1.492 1 0 KDAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1N1CCOCC1 ZINC000003942199 561689457 /nfs/dbraw/zinc/68/94/57/561689457.db2.gz BUMVABFEKQTACD-UHFFFAOYSA-N -1 0 527.068 1.940 1 0 KDAFRM C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O ZINC000003951295 561690462 /nfs/dbraw/zinc/69/04/62/561690462.db2.gz BDKLOKRNGDIZTO-UGDHZGHBSA-N -1 0 660.772 1.987 1 0 KDAFRM CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(N)=O)c(=O)oc3c2C)OC1(C)C ZINC000003978996 561692152 /nfs/dbraw/zinc/69/21/52/561692152.db2.gz JGEKVZLVQFCLBO-SSYAZSBWSA-N -1 0 516.503 1.658 1 0 KDAFRM CC(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(CCC(=O)NC3=NCCCN3)s2)C(=O)[O-])cc1 ZINC000003981845 561692582 /nfs/dbraw/zinc/69/25/82/561692582.db2.gz HTPRMRASPJUHGG-IBGZPJMESA-N -1 0 549.675 1.431 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(CCC(=O)NC3=NCCCN3)s2)C(=O)[O-])c(C)c1 ZINC000003981846 561692655 /nfs/dbraw/zinc/69/26/55/561692655.db2.gz VCYXSHVQNGNXQO-SFHVURJKSA-N -1 0 549.675 1.233 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1cccc2ccccc21 ZINC000003981848 561692615 /nfs/dbraw/zinc/69/26/15/561692615.db2.gz CYKGGZKCPJYWKZ-IBGZPJMESA-N -1 0 557.654 1.461 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000003981850 561692586 /nfs/dbraw/zinc/69/25/86/561692586.db2.gz KSPAZKMCXAMIPC-QFIPXVFZSA-N -1 0 583.692 1.975 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000003981851 561692627 /nfs/dbraw/zinc/69/26/27/561692627.db2.gz ORWWOJYZCUHJQK-INIZCTEOSA-N -1 0 575.591 1.327 1 0 KDAFRM CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(CCC(=O)NC3=NCCCN3)s2)C(=O)[O-])cc1 ZINC000003981853 561692591 /nfs/dbraw/zinc/69/25/91/561692591.db2.gz XLYGKRZQPDXMEM-IBGZPJMESA-N -1 0 563.702 1.605 1 0 KDAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)OCc1ccccc1)CC3)C(=O)CF ZINC000004383539 561694604 /nfs/dbraw/zinc/69/46/04/561694604.db2.gz ACMIMPKMLMDEEA-ZCNNSNEGSA-N -1 0 511.506 1.684 1 0 KDAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)CNS(=O)(=O)CCc1ccccc1 ZINC000004392044 561694744 /nfs/dbraw/zinc/69/47/44/561694744.db2.gz IQMJRVASBDOVFL-CLLDFNAGSA-N -1 0 618.709 1.133 1 0 KDAFRM COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3cccc(C)c3)=C(CSc3nnnn3CC(=O)[O-])CO[C@@H]21 ZINC000004392917 561694737 /nfs/dbraw/zinc/69/47/37/561694737.db2.gz WWSPYUUDJNNJFH-IAPPQJPRSA-N -1 0 624.632 1.136 1 0 KDAFRM CCCCCNC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000004772543 561695289 /nfs/dbraw/zinc/69/52/89/561695289.db2.gz IOUZGHRFZVBUGI-SFHVURJKSA-N -1 0 523.598 1.490 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000005386122 561695773 /nfs/dbraw/zinc/69/57/73/561695773.db2.gz MXDDHQREZRYBOV-HXUWFJFHSA-N -1 0 543.588 1.500 1 0 KDAFRM CCCCOC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000005386247 561695811 /nfs/dbraw/zinc/69/58/11/561695811.db2.gz AJOXYVRHUDHOGM-QGZVFWFLSA-N -1 0 510.555 1.527 1 0 KDAFRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1[C@H](C(=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1cc[nH+]cc1 ZINC000005581852 561697038 /nfs/dbraw/zinc/69/70/38/561697038.db2.gz MFORGCBBPNSZSD-QPAOKJHLSA-N -1 0 522.470 1.859 1 0 KDAFRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1[C@H](C(=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1cc[nH+]cc1 ZINC000005581855 561697057 /nfs/dbraw/zinc/69/70/57/561697057.db2.gz MFORGCBBPNSZSD-XQTRSNPVSA-N -1 0 522.470 1.859 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)([O-])OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 ZINC000005822773 561698745 /nfs/dbraw/zinc/69/87/45/561698745.db2.gz NHXYRNUOGNQNGZ-MNEFBYGVSA-N -1 0 504.436 1.271 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)([O-])OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 ZINC000005822775 561698799 /nfs/dbraw/zinc/69/87/99/561698799.db2.gz NHXYRNUOGNQNGZ-SNRMKQJTSA-N -1 0 504.436 1.271 1 0 KDAFRM CC(=O)Oc1ccc(/C=C/C(=O)NC[C@H](NC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)[O-])cc1OC(C)=O ZINC000006004052 561701163 /nfs/dbraw/zinc/70/11/63/561701163.db2.gz OGYFOUPGPIQYNE-ZEDZZHEHSA-N -1 0 596.545 1.800 1 0 KDAFRM CC(=O)Oc1ccc(/C=C/C(=O)NC[C@@H](NC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)[O-])cc1OC(C)=O ZINC000006004054 561701175 /nfs/dbraw/zinc/70/11/75/561701175.db2.gz OGYFOUPGPIQYNE-KWMXLQRSSA-N -1 0 596.545 1.800 1 0 KDAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)NC1N=NC(=S)S1 ZINC000010450357 561709297 /nfs/dbraw/zinc/70/92/97/561709297.db2.gz IKFXTEOZLBAELL-LRDDRELGSA-N -1 0 552.635 1.709 1 0 KDAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[N-]S(=O)(=O)c1ccccc1)C(=O)NC1N=NC(=S)S1 ZINC000010450393 561709318 /nfs/dbraw/zinc/70/93/18/561709318.db2.gz FBWGSUGKKLTDRD-BBRMVZONSA-N -1 0 534.645 1.569 1 0 KDAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC2N=NC(=S)S2)cc1 ZINC000010450411 561709436 /nfs/dbraw/zinc/70/94/36/561709436.db2.gz KXLQATQMHVLQBR-YOEHRIQHSA-N -1 0 548.672 1.878 1 0 KDAFRM Cc1ccccc1S(=O)(=O)[N-]C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NC1N=NC(=S)S1 ZINC000010450452 561709466 /nfs/dbraw/zinc/70/94/66/561709466.db2.gz NUHCNKSHBIFLOX-HOCLYGCPSA-N -1 0 548.672 1.878 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)[O-] ZINC000010743341 561709508 /nfs/dbraw/zinc/70/95/08/561709508.db2.gz RNFQOFNPWITQST-BCCVMWATSA-N -1 0 628.723 1.118 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)[O-] ZINC000010743342 561709520 /nfs/dbraw/zinc/70/95/20/561709520.db2.gz RNFQOFNPWITQST-RBOWJBJUSA-N -1 0 628.723 1.118 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)[P@@](=O)([O-])O ZINC000013369329 561711709 /nfs/dbraw/zinc/71/17/09/561711709.db2.gz PRQZJBRLTLSRGU-YWQVJIEVSA-N -1 0 519.535 1.833 1 0 KDAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2[nH]c(=O)oc2c1 ZINC000013436099 561711845 /nfs/dbraw/zinc/71/18/45/561711845.db2.gz HTULCSBVNFKESE-JXFKEZNVSA-N -1 0 507.547 1.988 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C=CC(=O)[O-])C(C)C)C(=O)c1nc2ccccc2o1 ZINC000013438239 561712035 /nfs/dbraw/zinc/71/20/35/561712035.db2.gz GCWMVQUVNSVWDI-VCZCXIIOSA-N -1 0 512.563 1.924 1 0 KDAFRM CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)OCC)C(=O)OCC)cc1)NC(=O)CCC(=O)[O-] ZINC000013472231 561714210 /nfs/dbraw/zinc/71/42/10/561714210.db2.gz PZURPSBIRUVOCW-IBGZPJMESA-N -1 0 508.568 1.759 1 0 KDAFRM NS(=O)(=O)c1ccccc1NC(=O)CN(CCN(CC(=O)[O-])c1ccccc1O)c1ccccc1O ZINC000013472953 561714363 /nfs/dbraw/zinc/71/43/63/561714363.db2.gz CDEBIGWBTYJPID-UHFFFAOYSA-N -1 0 514.560 1.782 1 0 KDAFRM NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)c1 ZINC000013472954 561714332 /nfs/dbraw/zinc/71/43/32/561714332.db2.gz PYWOQRVTPOCTMU-UHFFFAOYSA-N -1 0 514.560 1.782 1 0 KDAFRM NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1 ZINC000013472955 561714339 /nfs/dbraw/zinc/71/43/39/561714339.db2.gz XYPTTWPPCIBDMD-UHFFFAOYSA-N -1 0 514.560 1.782 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(F)cc3)C(=O)[O-])c(=O)n21 ZINC000013489251 561715589 /nfs/dbraw/zinc/71/55/89/561715589.db2.gz BWJIHUOTOAAFOF-ROUUACIJSA-N -1 0 514.539 1.082 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(F)cc3)C(=O)[O-])c(=O)n21 ZINC000013489252 561715594 /nfs/dbraw/zinc/71/55/94/561715594.db2.gz BWJIHUOTOAAFOF-MSOLQXFVSA-N -1 0 514.539 1.082 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(F)cc3)C(=O)[O-])c(=O)n21 ZINC000013489253 561715767 /nfs/dbraw/zinc/71/57/67/561715767.db2.gz BWJIHUOTOAAFOF-ZWKOTPCHSA-N -1 0 514.539 1.082 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(F)cc3)C(=O)[O-])c(=O)n21 ZINC000013489254 561715727 /nfs/dbraw/zinc/71/57/27/561715727.db2.gz BWJIHUOTOAAFOF-QZTJIDSGSA-N -1 0 514.539 1.082 1 0 KDAFRM Cc1ccc(SC[C@@H](C(=O)[O-])n2c(=O)n3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)C=CC3)c(C)c1 ZINC000013489279 561715744 /nfs/dbraw/zinc/71/57/44/561715744.db2.gz XKPXIAZECYEWHT-OALUTQOASA-N -1 0 524.603 1.559 1 0 KDAFRM Cc1ccc(SC[C@H](C(=O)[O-])n2c(=O)n3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)C=CC3)c(C)c1 ZINC000013489280 561715758 /nfs/dbraw/zinc/71/57/58/561715758.db2.gz XKPXIAZECYEWHT-RBUKOAKNSA-N -1 0 524.603 1.559 1 0 KDAFRM Cc1ccc(SC[C@@H](C(=O)[O-])n2c(=O)n3n(c2=O)[C@@H](C(=O)NCc2ccc(N)nc2C)C=CC3)c(C)c1 ZINC000013489281 561715738 /nfs/dbraw/zinc/71/57/38/561715738.db2.gz XKPXIAZECYEWHT-MOPGFXCFSA-N -1 0 524.603 1.559 1 0 KDAFRM Cc1ccc(SC[C@H](C(=O)[O-])n2c(=O)n3n(c2=O)[C@@H](C(=O)NCc2ccc(N)nc2C)C=CC3)c(C)c1 ZINC000013489282 561715703 /nfs/dbraw/zinc/71/57/03/561715703.db2.gz XKPXIAZECYEWHT-RTBURBONSA-N -1 0 524.603 1.559 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSC3CCCCC3)C(=O)[O-])c(=O)n21 ZINC000013489295 561715721 /nfs/dbraw/zinc/71/57/21/561715721.db2.gz DTEIKSQYMWFPFD-ROUUACIJSA-N -1 0 502.597 1.216 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSC3CCCCC3)C(=O)[O-])c(=O)n21 ZINC000013489296 561715699 /nfs/dbraw/zinc/71/56/99/561715699.db2.gz DTEIKSQYMWFPFD-MSOLQXFVSA-N -1 0 502.597 1.216 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSC3CCCCC3)C(=O)[O-])c(=O)n21 ZINC000013489297 561715711 /nfs/dbraw/zinc/71/57/11/561715711.db2.gz DTEIKSQYMWFPFD-ZWKOTPCHSA-N -1 0 502.597 1.216 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSC3CCCCC3)C(=O)[O-])c(=O)n21 ZINC000013489298 561715736 /nfs/dbraw/zinc/71/57/36/561715736.db2.gz DTEIKSQYMWFPFD-QZTJIDSGSA-N -1 0 502.597 1.216 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C1CCCC1)C(=O)C(=O)[O-] ZINC000013491441 561716314 /nfs/dbraw/zinc/71/63/14/561716314.db2.gz BKVHHNCGQAGLEV-VQTJNVASSA-N -1 0 510.632 1.038 1 0 KDAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1[S@@](C)=O ZINC000013558421 561719184 /nfs/dbraw/zinc/71/91/84/561719184.db2.gz RJSUCVBYFRBPAN-PMERELPUSA-N -1 0 504.055 1.841 1 0 KDAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1[S@](C)=O ZINC000013558422 561719201 /nfs/dbraw/zinc/71/92/01/561719201.db2.gz RJSUCVBYFRBPAN-SSEXGKCCSA-N -1 0 504.055 1.841 1 0 KDAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1S(C)(=O)=O ZINC000013558423 561719163 /nfs/dbraw/zinc/71/91/63/561719163.db2.gz CFWQMCYCTMVIBX-UHFFFAOYSA-N -1 0 520.054 1.507 1 0 KDAFRM CCCn1c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(=O)[O-])cc4)nn3C)nc2c(=O)n(CCC)c1=O ZINC000013559753 561719632 /nfs/dbraw/zinc/71/96/32/561719632.db2.gz JTHIYDNBNYRAEL-UHFFFAOYSA-N -1 0 509.523 1.823 1 0 KDAFRM CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cn1[n-]c(=O)c2c(F)c(F)c(F)c(F)c2c1=O ZINC000013585502 561720445 /nfs/dbraw/zinc/72/04/45/561720445.db2.gz UNSDNMCSEXRQIM-VIFPVBQESA-N -1 0 504.437 1.577 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[n-]c(=O)c2c(F)c(F)c(F)c(F)c2c1=O ZINC000013585508 561720439 /nfs/dbraw/zinc/72/04/39/561720439.db2.gz SEZITRLJPFYDIC-IUCAKERBSA-N -1 0 502.421 1.235 1 0 KDAFRM CC(=O)N1CCN(C(=O)c2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000013586838 561720531 /nfs/dbraw/zinc/72/05/31/561720531.db2.gz FXNUCHXDIULYQS-ZEQRLZLVSA-N -1 0 520.586 1.294 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)NC(C)=O ZINC000013587211 561720678 /nfs/dbraw/zinc/72/06/78/561720678.db2.gz NFMSQLAKBDDECA-GOSISDBHSA-N -1 0 515.519 1.225 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)NC(C)=O ZINC000013587212 561720693 /nfs/dbraw/zinc/72/06/93/561720693.db2.gz NFMSQLAKBDDECA-SFHVURJKSA-N -1 0 515.519 1.225 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(N)c1)NC(C)=O ZINC000013587217 561720704 /nfs/dbraw/zinc/72/07/04/561720704.db2.gz MEGCZHJXTRMMKA-SFHVURJKSA-N -1 0 517.535 1.247 1 0 KDAFRM C[C@H]([NH2+][C@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000013590061 561721384 /nfs/dbraw/zinc/72/13/84/561721384.db2.gz AMUOMYNSVLFGSU-GLQYFDAESA-N -1 0 517.320 1.517 1 0 KDAFRM O=C([O-])CN1C(=O)C[C@@]2(C1=O)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 ZINC000013601225 561721464 /nfs/dbraw/zinc/72/14/64/561721464.db2.gz ZNQGWRDPARNVPX-OAQYLSRUSA-N -1 0 507.243 1.991 1 0 KDAFRM O=C([O-])CN1C(=O)C[C@]2(C1=O)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 ZINC000013601227 561721453 /nfs/dbraw/zinc/72/14/53/561721453.db2.gz ZNQGWRDPARNVPX-NRFANRHFSA-N -1 0 507.243 1.991 1 0 KDAFRM COc1ccc(C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CCCCOc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])cc1 ZINC000013605048 561721719 /nfs/dbraw/zinc/72/17/19/561721719.db2.gz NUELJTMIHVDLJO-SFTDATJTSA-N -1 0 528.562 1.300 1 0 KDAFRM CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000013739913 561725835 /nfs/dbraw/zinc/72/58/35/561725835.db2.gz BDMBGELOGLFFDM-HBMCJLEFSA-N -1 0 515.563 1.117 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)c1cnc[nH]1)C(C)C)C(=O)[O-] ZINC000013745675 561726611 /nfs/dbraw/zinc/72/66/11/561726611.db2.gz JQZBTRCULFWAHJ-IHPCNDPISA-N -1 0 501.609 1.440 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)Cc1c[nH]cn1)C(C)C)C(=O)[O-] ZINC000013745677 561726773 /nfs/dbraw/zinc/72/67/73/561726773.db2.gz COPRVKYDYTZHGW-ONTIZHBOSA-N -1 0 515.636 1.369 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000013780058 561729028 /nfs/dbraw/zinc/72/90/28/561729028.db2.gz RCNHPBQFWAPIOX-LEWJYISDSA-N -1 0 524.659 1.504 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCc3cccc(N)n3)C2)C(=O)[O-])c(C)c1 ZINC000013803569 561731083 /nfs/dbraw/zinc/73/10/83/561731083.db2.gz GGRUDVFFGADXJD-ICSRJNTNSA-N -1 0 517.608 1.605 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCc3cccc(N)n3)C2)C(=O)[O-])c(C)c1 ZINC000013803572 561731070 /nfs/dbraw/zinc/73/10/70/561731070.db2.gz GGRUDVFFGADXJD-QUCCMNQESA-N -1 0 517.608 1.605 1 0 KDAFRM CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)C(=O)[O-] ZINC000013803633 561731065 /nfs/dbraw/zinc/73/10/65/561731065.db2.gz QOFGZWNUJKDYMT-IBGZPJMESA-N -1 0 502.597 1.836 1 0 KDAFRM O=C([O-])CC(NC(=O)C1Cc2cccc3c2N1C(=O)C(NC(=O)OCc1ccccc1)CC3)C(=O)CF ZINC000013912112 561735690 /nfs/dbraw/zinc/73/56/90/561735690.db2.gz ACMIMPKMLMDEEA-UFYCRDLUSA-N -1 0 511.506 1.684 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000013974757 561735843 /nfs/dbraw/zinc/73/58/43/561735843.db2.gz DMXROUYLQHFRCS-GIORXHJXSA-N -1 0 514.623 1.305 1 0 in-vivo KDAFRM CC(C)[C@H]1NC(=O)[C@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000013974759 561735863 /nfs/dbraw/zinc/73/58/63/561735863.db2.gz DMXROUYLQHFRCS-XJXJVNRDSA-N -1 0 514.623 1.305 1 0 KDAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CNS(=O)(=O)CCc1ccccc1 ZINC000014096519 561736555 /nfs/dbraw/zinc/73/65/55/561736555.db2.gz IQMJRVASBDOVFL-CHZKFRDHSA-N -1 0 618.709 1.133 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCC(=O)Nc3ncc[nH]3)C2)C(=O)[O-])c(C)c1 ZINC000014116058 561736809 /nfs/dbraw/zinc/73/68/09/561736809.db2.gz WASHWFMKJZQLLD-AEFFLSMTSA-N -1 0 534.595 1.137 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)CNC(=O)c1cnc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1 ZINC000014128415 561736944 /nfs/dbraw/zinc/73/69/44/561736944.db2.gz ZMVBGJMBSDZOLI-SFHVURJKSA-N -1 0 538.517 1.222 1 0 KDAFRM CC(C)(C)[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C ZINC000014210955 561737973 /nfs/dbraw/zinc/73/79/73/561737973.db2.gz QQNQMHIQTNJSMZ-MFPFFRNPSA-N -1 0 575.707 1.310 1 0 KDAFRM CC(C)(C)[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C ZINC000014210958 561738113 /nfs/dbraw/zinc/73/81/13/561738113.db2.gz QQNQMHIQTNJSMZ-FIRLOTFOSA-N -1 0 575.707 1.310 1 0 KDAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)[P@@](=O)([O-])O ZINC000014276174 561738884 /nfs/dbraw/zinc/73/88/84/561738884.db2.gz UUWBLGDAFQCIKB-RJGXRXQPSA-N -1 0 558.572 1.654 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1ccccc1 ZINC000014277051 561738911 /nfs/dbraw/zinc/73/89/11/561738911.db2.gz PTUYVFBCIVQESN-NHZRIVAWSA-N -1 0 553.612 1.650 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O ZINC000014858639 561739991 /nfs/dbraw/zinc/73/99/91/561739991.db2.gz QKNOLJBQLJGNKI-LFUPQXEOSA-N -1 0 530.622 1.011 1 0 in-vivo KDAFRM O=C([O-])c1cccnc1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944114 561742192 /nfs/dbraw/zinc/74/21/92/561742192.db2.gz NLWKGWFBMYWDIT-WIYYLYMNSA-N -1 0 535.509 1.835 1 0 KDAFRM COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944166 561742360 /nfs/dbraw/zinc/74/23/60/561742360.db2.gz VREDQQFDKBEALJ-DYESRHJHSA-N -1 0 536.493 1.454 1 0 KDAFRM CCOC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944168 561742312 /nfs/dbraw/zinc/74/23/12/561742312.db2.gz ULGQQNXZFKHRIL-XMSQKQJNSA-N -1 0 550.520 1.844 1 0 KDAFRM CC(=O)OCOC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944176 561742329 /nfs/dbraw/zinc/74/23/29/561742329.db2.gz YQYBJEBDZCPCSM-AUSIDOKSSA-N -1 0 594.529 1.345 1 0 KDAFRM O=C([O-])C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)COC(=O)c1cccc2ccccc21 ZINC000014947305 561744572 /nfs/dbraw/zinc/74/45/72/561744572.db2.gz LWPFULBNAJIXGF-NRFANRHFSA-N -1 0 525.539 1.675 1 0 KDAFRM C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(=O)[O-])S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950158 561745520 /nfs/dbraw/zinc/74/55/20/561745520.db2.gz UAYCGHBBLVJXTC-YWZLYKJASA-N -1 0 523.995 1.417 1 0 KDAFRM CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)CCc1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000014952734 561746409 /nfs/dbraw/zinc/74/64/09/561746409.db2.gz DAHWGIRKSZYFIT-IBGZPJMESA-N -1 0 578.591 1.924 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000014953973 561746889 /nfs/dbraw/zinc/74/68/89/561746889.db2.gz ZSFPNCCMRAHJSA-HJOGWXRNSA-N -1 0 548.621 1.131 1 0 in-vitro KDAFRM NC(=O)[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000014953977 561746877 /nfs/dbraw/zinc/74/68/77/561746877.db2.gz ZSFPNCCMRAHJSA-KMDXXIMOSA-N -1 0 548.621 1.131 1 0 KDAFRM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000014960469 561748332 /nfs/dbraw/zinc/74/83/32/561748332.db2.gz RNDOBIYDOQJUSG-NIEJSUMHSA-N -1 0 586.796 1.673 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)NCc1ccccc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000014969703 561750811 /nfs/dbraw/zinc/75/08/11/561750811.db2.gz LAGLHMVPXWKABF-OALUTQOASA-N -1 0 508.984 1.562 1 0 KDAFRM Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CNC(=O)NCc2ccccc2)C(=O)[O-])c1 ZINC000014969746 561750806 /nfs/dbraw/zinc/75/08/06/561750806.db2.gz ACPGEFYNFSMQSQ-SFTDATJTSA-N -1 0 502.593 1.525 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000014969754 561750829 /nfs/dbraw/zinc/75/08/29/561750829.db2.gz COZGQPIPFXJAQU-OALUTQOASA-N -1 0 510.519 1.187 1 0 KDAFRM CC(C)c1nc(N(c2nnnn2C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014978042 561752544 /nfs/dbraw/zinc/75/25/44/561752544.db2.gz UJHJIOUQRVUYNN-VEUZHWNKSA-N -1 0 549.585 1.627 1 0 KDAFRM CN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C ZINC000014979309 561752656 /nfs/dbraw/zinc/75/26/56/561752656.db2.gz MBPUNGIASDQPCW-LJQANCHMSA-N -1 0 515.567 1.232 1 0 KDAFRM Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc21 ZINC000014979545 561752859 /nfs/dbraw/zinc/75/28/59/561752859.db2.gz UMFNMQJGSPMGBC-QGZVFWFLSA-N -1 0 518.571 1.524 1 0 KDAFRM Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H]1CCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc21 ZINC000014979548 561752841 /nfs/dbraw/zinc/75/28/41/561752841.db2.gz UMFNMQJGSPMGBC-KRWDZBQOSA-N -1 0 518.571 1.524 1 0 KDAFRM CCCCCNC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000017062813 561754132 /nfs/dbraw/zinc/75/41/32/561754132.db2.gz IOUZGHRFZVBUGI-GOSISDBHSA-N -1 0 523.598 1.490 1 0 KDAFRM CCCCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000017109654 561754146 /nfs/dbraw/zinc/75/41/46/561754146.db2.gz AJOXYVRHUDHOGM-KRWDZBQOSA-N -1 0 510.555 1.527 1 0 KDAFRM O=C1[N-]C(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)(N2CCN(CCO)CC2)C(=O)N1 ZINC000022933625 561760475 /nfs/dbraw/zinc/76/04/75/561760475.db2.gz IOHMRAKHDYVRJZ-UHFFFAOYSA-N -1 0 503.353 1.413 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000025973692 561763375 /nfs/dbraw/zinc/76/33/75/561763375.db2.gz KMMRLRHLBVXDQI-INIZCTEOSA-N -1 0 525.570 1.318 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000025973700 561763382 /nfs/dbraw/zinc/76/33/82/561763382.db2.gz KMMRLRHLBVXDQI-MRXNPFEDSA-N -1 0 525.570 1.318 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCNC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000025973711 561763406 /nfs/dbraw/zinc/76/34/06/561763406.db2.gz MSPBTNSRNKJDLV-IBGZPJMESA-N -1 0 564.006 1.877 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCNC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000025973726 561763404 /nfs/dbraw/zinc/76/34/04/561763404.db2.gz MSPBTNSRNKJDLV-LJQANCHMSA-N -1 0 564.006 1.877 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000025974582 561763428 /nfs/dbraw/zinc/76/34/28/561763428.db2.gz WBDAIUUAKXDIQH-KRWDZBQOSA-N -1 0 539.597 1.709 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000025974591 561763370 /nfs/dbraw/zinc/76/33/70/561763370.db2.gz WBDAIUUAKXDIQH-QGZVFWFLSA-N -1 0 539.597 1.709 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CNC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000025976701 561763508 /nfs/dbraw/zinc/76/35/08/561763508.db2.gz MUOSLMQZUIXTJR-SFHVURJKSA-N -1 0 549.979 1.487 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CNC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000025976711 561763497 /nfs/dbraw/zinc/76/34/97/561763497.db2.gz MUOSLMQZUIXTJR-GOSISDBHSA-N -1 0 549.979 1.487 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)c3ccccc3)[C@@H]2SC1 ZINC000025990393 561764607 /nfs/dbraw/zinc/76/46/07/561764607.db2.gz JLRDPXRBLOJONS-BWKNWUBXSA-N -1 0 539.566 1.562 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)c3ccccc3)[C@H]2SC1 ZINC000025990400 561764708 /nfs/dbraw/zinc/76/47/08/561764708.db2.gz JLRDPXRBLOJONS-PXDATVDWSA-N -1 0 539.566 1.562 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)NCc3ccccc3)[C@@H]2SC1 ZINC000025990689 561764684 /nfs/dbraw/zinc/76/46/84/561764684.db2.gz XASWCTLZVQCMMB-RDGATRHJSA-N -1 0 568.608 1.632 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)NCc3ccccc3)[C@H]2SC1 ZINC000025990697 561764680 /nfs/dbraw/zinc/76/46/80/561764680.db2.gz XASWCTLZVQCMMB-RCZVLFRGSA-N -1 0 568.608 1.632 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)Nc3ccccc3)[C@@H]2SC1 ZINC000025991817 561764834 /nfs/dbraw/zinc/76/48/34/561764834.db2.gz LILUWHMUECETDC-QPPBQGQZSA-N -1 0 554.581 1.954 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3)C(=O)Nc3ccccc3)[C@H]2SC1 ZINC000025991826 561764823 /nfs/dbraw/zinc/76/48/23/561764823.db2.gz LILUWHMUECETDC-ZJSXRUAMSA-N -1 0 554.581 1.954 1 0 KDAFRM CCOC(CN(CC(OCC)OCC)S(=O)(=O)c1ccc(-n2ncc(=O)[n-]c2=O)cc1Cl)OCC ZINC000026023714 561766786 /nfs/dbraw/zinc/76/67/86/561766786.db2.gz CXOLPNMZAPUKNN-UHFFFAOYSA-N -1 0 535.019 1.363 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C(=O)N2CCC(C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])CC2)cc1 ZINC000026145327 561767080 /nfs/dbraw/zinc/76/70/80/561767080.db2.gz ZYTSFCORCWGSBM-XZOQPEGZSA-N -1 0 591.625 1.097 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)CCc1ccccc1 ZINC000026147106 561767298 /nfs/dbraw/zinc/76/72/98/561767298.db2.gz GVTHNXFMWGWNOV-OYYXRSNLSA-N -1 0 581.666 1.969 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)COC(=O)CCc1ccccc1 ZINC000026147118 561767323 /nfs/dbraw/zinc/76/73/23/561767323.db2.gz GVTHNXFMWGWNOV-ZJVHSOCCSA-N -1 0 581.666 1.969 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000026148845 561767404 /nfs/dbraw/zinc/76/74/04/561767404.db2.gz HNTZMAZMLBUPRZ-VXNXHJTFSA-N -1 0 607.664 1.678 1 0 KDAFRM NC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026180224 561771559 /nfs/dbraw/zinc/77/15/59/561771559.db2.gz SVPCMKUHDUNMQP-WOJBJXKFSA-N -1 0 609.499 1.928 1 0 KDAFRM NC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026180229 561771560 /nfs/dbraw/zinc/77/15/60/561771560.db2.gz SVPCMKUHDUNMQP-UXHICEINSA-N -1 0 609.499 1.928 1 0 KDAFRM NC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026180234 561771519 /nfs/dbraw/zinc/77/15/19/561771519.db2.gz SVPCMKUHDUNMQP-VQTJNVASSA-N -1 0 609.499 1.928 1 0 KDAFRM NC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026180239 561771635 /nfs/dbraw/zinc/77/16/35/561771635.db2.gz SVPCMKUHDUNMQP-PMACEKPBSA-N -1 0 609.499 1.928 1 0 KDAFRM CCCOc1ccc(S(=O)(=O)N2CCN(C[P@@](=O)([O-])O)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026188667 561773062 /nfs/dbraw/zinc/77/30/62/561773062.db2.gz JJLJLAVLWTWITR-UHFFFAOYSA-N -1 0 568.593 1.506 1 0 KDAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O ZINC000026189030 561773203 /nfs/dbraw/zinc/77/32/03/561773203.db2.gz VBWCWPJWZXWWHK-BHSUFKTOSA-N -1 0 668.751 1.423 1 0 KDAFRM CCCOc1ccc(S(=O)(=O)N2CCN(CC[P@@](=O)([O-])O)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026246793 561773462 /nfs/dbraw/zinc/77/34/62/561773462.db2.gz HUFVGDKZTYXTBM-UHFFFAOYSA-N -1 0 582.620 1.549 1 0 KDAFRM CC(C)C[C@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)[O-])C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1C ZINC000026257585 561775068 /nfs/dbraw/zinc/77/50/68/561775068.db2.gz DAFCCKSWJXSKCS-HOIWYFOJSA-N -1 0 624.739 1.173 1 0 KDAFRM CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000026261922 561775627 /nfs/dbraw/zinc/77/56/27/561775627.db2.gz PTHCNAFMSNFAAH-DKLFHUDLSA-N -1 0 624.739 1.221 1 0 KDAFRM CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O ZINC000026263988 561775861 /nfs/dbraw/zinc/77/58/61/561775861.db2.gz UMKHUVRCCMAOBN-GLORDPHASA-N -1 0 612.728 1.125 1 0 KDAFRM CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1cc(=O)[n-]o1)C3)N(C)C(C)=O ZINC000026290934 561780464 /nfs/dbraw/zinc/78/04/64/561780464.db2.gz DEDSPRJAOZIWFP-YXXMBDFVSA-N -1 0 511.579 1.278 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2c[nH]c3ccccc23)CCCCC1 ZINC000026293508 561781018 /nfs/dbraw/zinc/78/10/18/561781018.db2.gz IVCRWGVZPCJVLK-VMPREFPWSA-N -1 0 696.742 1.821 1 0 KDAFRM COc1ccc2c(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(NC(=O)[C@H](Cc4ccc(C[P@@](=O)([O-])O)cc4)NC(C)=O)CCCCC3)c[nH]c2c1 ZINC000026295927 561781489 /nfs/dbraw/zinc/78/14/89/561781489.db2.gz NCIUVOQQMYXQDZ-KYJUHHDHSA-N -1 0 726.768 1.830 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn2ccc3cc(N(C)C)ccc32)CCCCC1 ZINC000026376579 561782147 /nfs/dbraw/zinc/78/21/47/561782147.db2.gz LOXFCSUCNZKZGQ-KYJUHHDHSA-N -1 0 739.811 1.818 1 0 KDAFRM COc1ccc2c(ccn2CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(C[P@@](=O)([O-])O)cc3)NC(C)=O)CCCCC2)c1 ZINC000026376581 561782135 /nfs/dbraw/zinc/78/21/35/561782135.db2.gz KXTNXHLYXOXMOA-VMPREFPWSA-N -1 0 726.768 1.761 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn2ccc3ccccc32)CCCCC1 ZINC000026377455 561782457 /nfs/dbraw/zinc/78/24/57/561782457.db2.gz UWZBIKDYMUJFTN-NSOVKSMOSA-N -1 0 696.742 1.752 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cn(C)c3ccccc23)CCCCC1 ZINC000026378901 561782979 /nfs/dbraw/zinc/78/29/79/561782979.db2.gz QSIYXZBMPMBUJQ-VMPREFPWSA-N -1 0 710.769 1.832 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn2ccc3cc(O)ccc32)CCCCC1 ZINC000026379218 561782933 /nfs/dbraw/zinc/78/29/33/561782933.db2.gz KTEIKJDTMFXKOP-NSOVKSMOSA-N -1 0 712.741 1.458 1 0 KDAFRM Cc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](C2CC2)NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC1=O ZINC000026388406 561785113 /nfs/dbraw/zinc/78/51/13/561785113.db2.gz DURQGRPWKJTJCL-YTFMROOWSA-N -1 0 634.734 1.038 1 0 KDAFRM Cc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC1=O ZINC000026389116 561785313 /nfs/dbraw/zinc/78/53/13/561785313.db2.gz NLGQWRJSXIHWEY-MGCKMXKFSA-N -1 0 624.739 1.139 1 0 KDAFRM O=C([O-])C[C@H]1NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC(=O)[C@@H](C2CC2)NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C1=O ZINC000026389461 561785299 /nfs/dbraw/zinc/78/52/99/561785299.db2.gz OBNJEEOFTPJHQY-RPEQPCMISA-N -1 0 699.603 1.492 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1 ZINC000026396323 561787037 /nfs/dbraw/zinc/78/70/37/561787037.db2.gz HXDHXQMPLHBMEK-BDTNDASRSA-N -1 0 550.593 1.391 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@](=O)([O-])CO)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1 ZINC000026401625 561788426 /nfs/dbraw/zinc/78/84/26/561788426.db2.gz FJBWPFYJZPRHTJ-ZRBLBEILSA-N -1 0 564.620 1.433 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(C[P@](=O)([O-])CCO)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1 ZINC000026401632 561788428 /nfs/dbraw/zinc/78/84/28/561788428.db2.gz RXGKHASDTSRLCD-VXNXHJTFSA-N -1 0 578.647 1.476 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)[O-] ZINC000026404675 561789689 /nfs/dbraw/zinc/78/96/89/561789689.db2.gz DVPVJSBHCCXIQP-WIGBTLJFSA-N -1 0 598.701 1.995 1 0 KDAFRM COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3cccc(C)c3)=C(CSc3nncn3CC(=O)[O-])CO[C@@H]21 ZINC000026404794 561789880 /nfs/dbraw/zinc/78/98/80/561789880.db2.gz PDFLMEOJDBZIJL-PXJZQJOASA-N -1 0 623.644 1.741 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000026404931 561789867 /nfs/dbraw/zinc/78/98/67/561789867.db2.gz BBQRYLNKYIOEEX-GOQCWZIISA-N -1 0 626.755 1.826 1 0 KDAFRM [NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-] ZINC000026473329 561790798 /nfs/dbraw/zinc/79/07/98/561790798.db2.gz QCQZSPOSSIOOJT-XPNTWCBSSA-N -1 0 554.600 1.803 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-] ZINC000026473335 561790829 /nfs/dbraw/zinc/79/08/29/561790829.db2.gz QCQZSPOSSIOOJT-XJUOHMSHSA-N -1 0 554.600 1.803 1 0 KDAFRM CCCOc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3ccc(C(=O)[O-])cc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026474989 561790934 /nfs/dbraw/zinc/79/09/34/561790934.db2.gz OSWPBLXSKJTMBH-PXJZQJOASA-N -1 0 638.659 1.758 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)C)C(=O)[O-] ZINC000026483023 561792020 /nfs/dbraw/zinc/79/20/20/561792020.db2.gz ZARWDFNQMSFZAM-CADLLZAKSA-N -1 0 612.728 1.523 1 0 KDAFRM CO[C@@]1(NC(=O)c2ccccc2OC(C)C)C(=O)N2C(C(=O)OCc3ccc(C(=O)[O-])cc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026487164 561792466 /nfs/dbraw/zinc/79/24/66/561792466.db2.gz BYNYQJOSLRJYLA-PXJZQJOASA-N -1 0 638.659 1.756 1 0 KDAFRM CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCCN(O)C=O)NC(=O)[C@H]2CCCCN2C1=O ZINC000026497004 561794437 /nfs/dbraw/zinc/79/44/37/561794437.db2.gz GCBOZRVKRVLULH-ZPOGELFWSA-N -1 0 601.745 1.931 1 0 KDAFRM COc1ccc(C[C@@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CCCCOc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])cc1 ZINC000026499481 561795062 /nfs/dbraw/zinc/79/50/62/561795062.db2.gz NUELJTMIHVDLJO-NHCUHLMSSA-N -1 0 528.562 1.300 1 0 KDAFRM COc1ccc(C[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CCCCOc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])cc1 ZINC000026499484 561795034 /nfs/dbraw/zinc/79/50/34/561795034.db2.gz NUELJTMIHVDLJO-RTWAWAEBSA-N -1 0 528.562 1.300 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CCC1CCCCC1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026503455 561796005 /nfs/dbraw/zinc/79/60/05/561796005.db2.gz MVIVEASLSGRCJF-YADHBBJMSA-N -1 0 538.686 1.894 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026503463 561796132 /nfs/dbraw/zinc/79/61/32/561796132.db2.gz GUZGCCVUYAYVHG-DQEYMECFSA-N -1 0 568.671 1.930 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)C(=O)CCCC1CC[NH2+]CC1 ZINC000026503988 561796104 /nfs/dbraw/zinc/79/61/04/561796104.db2.gz NFNWLQLLWGPUFU-WMZHIEFXSA-N -1 0 510.632 1.114 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC1CCCC1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026504451 561796274 /nfs/dbraw/zinc/79/62/74/561796274.db2.gz QBHPNULOGVBLPK-VQTJNVASSA-N -1 0 510.632 1.114 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC1CCCCCC1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026506042 561796628 /nfs/dbraw/zinc/79/66/28/561796628.db2.gz SNYHSIRWCKIENJ-FCHUYYIVSA-N -1 0 538.686 1.894 1 0 KDAFRM COc1ccc2cc1Oc1ccc(cc1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C2 ZINC000026567289 561797401 /nfs/dbraw/zinc/79/74/01/561797401.db2.gz FEIMMTYRYWKSDH-HJOGWXRNSA-N -1 0 604.616 1.811 1 0 KDAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026567505 561797311 /nfs/dbraw/zinc/79/73/11/561797311.db2.gz CFKBIVHRJZFIMD-DQEYMECFSA-N -1 0 568.671 1.930 1 0 KDAFRM CC(=O)N[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2O)C[C@H](C(=O)[O-])NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000026569845 561797923 /nfs/dbraw/zinc/79/79/23/561797923.db2.gz DMSXHRHXAOCALT-TZRRMPRUSA-N -1 0 547.564 1.790 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000026572630 561798426 /nfs/dbraw/zinc/79/84/26/561798426.db2.gz NEHMUNBIQMRODL-HARAVUJASA-N -1 0 733.867 1.665 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000026572635 561798442 /nfs/dbraw/zinc/79/84/42/561798442.db2.gz NEHMUNBIQMRODL-GHTSNYPWSA-N -1 0 733.867 1.665 1 0 KDAFRM CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc2cccc3ccccc32)NC1=O ZINC000026575548 561799240 /nfs/dbraw/zinc/79/92/40/561799240.db2.gz VIKVVYZEMQCXCA-BKVOUIBNSA-N -1 0 621.735 1.503 1 0 KDAFRM CC(=O)Oc1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@@H]3SC2)cc1OC(C)=O ZINC000026578538 561803448 /nfs/dbraw/zinc/80/34/48/561803448.db2.gz SMFKKZFKSHKUOJ-OFNKIYASSA-N -1 0 574.589 1.737 1 0 KDAFRM CC(=O)Oc1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1OC(C)=O ZINC000026578539 561803433 /nfs/dbraw/zinc/80/34/33/561803433.db2.gz SMFKKZFKSHKUOJ-NFBKMPQASA-N -1 0 574.589 1.737 1 0 KDAFRM CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OCc1ccccc1 ZINC000026578980 561804070 /nfs/dbraw/zinc/80/40/70/561804070.db2.gz JRKBGIXDCLQFKE-LOSJGSFVSA-N -1 0 553.637 1.666 1 0 KDAFRM C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CC1(Cl)Cl ZINC000026579529 561804855 /nfs/dbraw/zinc/80/48/55/561804855.db2.gz RJZBKORMIWAECO-DARAHFNDSA-N -1 0 516.378 1.078 1 0 KDAFRM C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CC1(Cl)Cl ZINC000026579530 561804812 /nfs/dbraw/zinc/80/48/12/561804812.db2.gz RJZBKORMIWAECO-SDADXPQNSA-N -1 0 516.378 1.078 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccncc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580089 561805467 /nfs/dbraw/zinc/80/54/67/561805467.db2.gz XZRKFMJNFCREPB-LIRRHRJNSA-N -1 0 542.442 1.325 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580106 561805509 /nfs/dbraw/zinc/80/55/09/561805509.db2.gz PKQPMQYJGPSJFR-KKSFZXQISA-N -1 0 555.481 1.608 1 0 KDAFRM O=C([O-])c1cccnc1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026580144 561805594 /nfs/dbraw/zinc/80/55/94/561805594.db2.gz NLWKGWFBMYWDIT-GHTZIAJQSA-N -1 0 535.509 1.835 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccn1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580344 561805880 /nfs/dbraw/zinc/80/58/80/561805880.db2.gz YJVZPPRMAGBWFR-DJJJIMSYSA-N -1 0 542.442 1.325 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)NCCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026637023 561805887 /nfs/dbraw/zinc/80/58/87/561805887.db2.gz WTDVEFVYINBNSI-JTSKRJEESA-N -1 0 569.508 1.650 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026639640 561806497 /nfs/dbraw/zinc/80/64/97/561806497.db2.gz GXKHPUKGZPDYCB-YWZLYKJASA-N -1 0 541.454 1.930 1 0 KDAFRM COc1ccccc1NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C ZINC000026645417 561807432 /nfs/dbraw/zinc/80/74/32/561807432.db2.gz OUJODNJWHMKUIL-BTYIYWSLSA-N -1 0 571.480 1.939 1 0 KDAFRM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)C1CCCCC1)C(C)C ZINC000026645691 561807464 /nfs/dbraw/zinc/80/74/64/561807464.db2.gz XKTYIFSJMNZIAF-CFZKCAPKSA-N -1 0 574.675 1.194 1 0 KDAFRM COc1cc(CNC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)C(C)C)cc(OC)c1OC ZINC000026645924 561807497 /nfs/dbraw/zinc/80/74/97/561807497.db2.gz LRSMDSFOPBOMDW-HJPURHCSSA-N -1 0 645.559 1.633 1 0 KDAFRM CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CC[P@](=O)([O-])[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCNC1=O ZINC000026646770 561807677 /nfs/dbraw/zinc/80/76/77/561807677.db2.gz LBHKXKMLUPCKIQ-NDBXHCKUSA-N -1 0 617.684 1.509 1 0 KDAFRM CCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)CC[P@](=O)([O-])[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCNC1=O ZINC000026646776 561807668 /nfs/dbraw/zinc/80/76/68/561807668.db2.gz LBHKXKMLUPCKIQ-NGSHPTGOSA-N -1 0 617.684 1.509 1 0 KDAFRM CC(C)[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026646873 561807649 /nfs/dbraw/zinc/80/76/49/561807649.db2.gz FZDURNUEUSSQHZ-YWZLYKJASA-N -1 0 547.502 1.740 1 0 KDAFRM COC(=O)c1cc(OCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc32)C(C)C)no1 ZINC000026649320 561808094 /nfs/dbraw/zinc/80/80/94/561808094.db2.gz DZHQUOCAZBRQCK-MBSDFSHPSA-N -1 0 568.539 1.301 1 0 KDAFRM CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026665917 561811128 /nfs/dbraw/zinc/81/11/28/561811128.db2.gz OKASJKIEFKPWRT-KPQYALRZSA-N -1 0 602.689 1.228 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026666193 561811308 /nfs/dbraw/zinc/81/13/08/561811308.db2.gz MVUAEZFRJUUYIN-VABKMULXSA-N -1 0 565.627 1.776 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C(N)=O ZINC000026667891 561811585 /nfs/dbraw/zinc/81/15/85/561811585.db2.gz DZCBXTWKCFKQPR-AABGKKOBSA-N -1 0 531.610 1.579 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026668748 561811860 /nfs/dbraw/zinc/81/18/60/561811860.db2.gz BRPNCKHBZGUTPH-KKTRPPJXSA-N -1 0 531.610 1.579 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026669130 561811897 /nfs/dbraw/zinc/81/18/97/561811897.db2.gz WVECHEIYNZGMON-KPQYALRZSA-N -1 0 602.689 1.084 1 0 KDAFRM Nc1cc(COc2ccc3[nH]c(C(=O)NC[C@H](NS(=O)(=O)c4ccccc4)C(=O)[O-])cc3c2)ccn1 ZINC000026669134 561811867 /nfs/dbraw/zinc/81/18/67/561811867.db2.gz GVWPSQZKUFKMOW-NRFANRHFSA-N -1 0 509.544 1.886 1 0 KDAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026669571 561812013 /nfs/dbraw/zinc/81/20/13/561812013.db2.gz DZCBXTWKCFKQPR-ZCNNSNEGSA-N -1 0 531.610 1.579 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026669575 561812014 /nfs/dbraw/zinc/81/20/14/561812014.db2.gz DZCBXTWKCFKQPR-UFYCRDLUSA-N -1 0 531.610 1.579 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000026671121 561812413 /nfs/dbraw/zinc/81/24/13/561812413.db2.gz MFHPUUTXUOUZBD-KPQYALRZSA-N -1 0 602.689 1.084 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000026671125 561812434 /nfs/dbraw/zinc/81/24/34/561812434.db2.gz YZELXFPHLHHZAZ-UFYCRDLUSA-N -1 0 531.610 1.579 1 0 KDAFRM CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000026671269 561812445 /nfs/dbraw/zinc/81/24/45/561812445.db2.gz KRAHQDUVPSMMJA-GXVQUOBPSA-N -1 0 610.664 1.743 1 0 KDAFRM CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000026671273 561812439 /nfs/dbraw/zinc/81/24/39/561812439.db2.gz RMTUGNVUFPSJEJ-XRCAEMSVSA-N -1 0 596.637 1.353 1 0 KDAFRM CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026672709 561812891 /nfs/dbraw/zinc/81/28/91/561812891.db2.gz PLVNGKBUISWJOO-XTSXRMEESA-N -1 0 576.647 1.547 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026673853 561813214 /nfs/dbraw/zinc/81/32/14/561813214.db2.gz KCZPYRUXPDHPJX-FHWLQOOXSA-N -1 0 515.567 1.040 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026674307 561813448 /nfs/dbraw/zinc/81/34/48/561813448.db2.gz JLFBZRXGVZBQNU-LJWNLINESA-N -1 0 736.827 1.099 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026674480 561813475 /nfs/dbraw/zinc/81/34/75/561813475.db2.gz ATSCMFOPMJPIJV-HJOGWXRNSA-N -1 0 565.627 1.981 1 0 KDAFRM CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026674575 561813647 /nfs/dbraw/zinc/81/36/47/561813647.db2.gz WQUVREMVZUSJQZ-UFYCRDLUSA-N -1 0 531.610 1.724 1 0 KDAFRM CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C)CC ZINC000026722217 561815441 /nfs/dbraw/zinc/81/54/41/561815441.db2.gz CAIQQUVRJSDGFK-FIQMJTIWSA-N -1 0 729.876 1.179 1 0 KDAFRM CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000026732284 561816800 /nfs/dbraw/zinc/81/68/00/561816800.db2.gz YCXMBQLDYSVHCH-GPTSMBQRSA-N -1 0 602.729 1.743 1 0 KDAFRM CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)[O-])C(N)=O)cc1 ZINC000026733107 561816967 /nfs/dbraw/zinc/81/69/67/561816967.db2.gz VIQWRGWKAGIODP-AFGXWFMKSA-N -1 0 667.804 1.902 1 0 KDAFRM CC(C)[C@@H](NC(=O)COc1cc2ccccc2cc1[N-]S(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026747941 561819171 /nfs/dbraw/zinc/81/91/71/561819171.db2.gz DSVOWLRMMWVDKT-DLVCFXQMSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cc2ccccc2cc1[N-]S(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026747946 561819167 /nfs/dbraw/zinc/81/91/67/561819167.db2.gz DSVOWLRMMWVDKT-ZRCAFCQKSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@@H](NC(=O)COc1cc2ccccc2cc1[N-]S(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)O[C@H]1O ZINC000026747951 561819147 /nfs/dbraw/zinc/81/91/47/561819147.db2.gz DSVOWLRMMWVDKT-NYSBEXSLSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cc2ccccc2cc1[N-]S(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)O[C@H]1O ZINC000026747952 561819174 /nfs/dbraw/zinc/81/91/74/561819174.db2.gz DSVOWLRMMWVDKT-PAXLWEDBSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@@H](NC(=O)COc1cccc2c([N-]S(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026748126 561819166 /nfs/dbraw/zinc/81/91/66/561819166.db2.gz WLZOCGMSLPOOIC-DLVCFXQMSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2c([N-]S(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026748131 561819197 /nfs/dbraw/zinc/81/91/97/561819197.db2.gz WLZOCGMSLPOOIC-ZRCAFCQKSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@@H](NC(=O)COc1cccc2c([N-]S(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)O[C@H]1O ZINC000026748136 561819264 /nfs/dbraw/zinc/81/92/64/561819264.db2.gz WLZOCGMSLPOOIC-NYSBEXSLSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2c([N-]S(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)O[C@H]1O ZINC000026748141 561819211 /nfs/dbraw/zinc/81/92/11/561819211.db2.gz WLZOCGMSLPOOIC-PAXLWEDBSA-N -1 0 547.508 1.371 1 0 KDAFRM CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026815947 561820291 /nfs/dbraw/zinc/82/02/91/561820291.db2.gz JPZHZXSVRPEHCL-KRCBVYEFSA-N -1 0 735.839 1.567 1 0 KDAFRM CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)CC1CCCCC1)C(C)(C)C ZINC000026816300 561820312 /nfs/dbraw/zinc/82/03/12/561820312.db2.gz PDMLBJOMRBMOLT-HQQJGFCBSA-N -1 0 651.846 1.858 1 0 KDAFRM CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCCC(C)(C)C)C(C)(C)C ZINC000026816306 561820304 /nfs/dbraw/zinc/82/03/04/561820304.db2.gz DJBRZHXMANDAJE-AWRGLXIESA-N -1 0 595.782 1.963 1 0 KDAFRM CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)(C)C ZINC000026817420 561820520 /nfs/dbraw/zinc/82/05/20/561820520.db2.gz LUKMJPKFSKVLHM-XHRGMSINSA-N -1 0 581.755 1.571 1 0 KDAFRM CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C ZINC000026823787 561821581 /nfs/dbraw/zinc/82/15/81/561821581.db2.gz FRGLXCLYMCTBIK-DEJKCJRPSA-N -1 0 625.808 1.324 1 0 KDAFRM COC(=O)Oc1cccc2c(=O)n(CC(=O)Nc3cc(NC(=O)Cn4c(=O)oc5c(OC(=O)OC)cccc5c4=O)cc(C(=O)[O-])c3)c(=O)oc12 ZINC000026830146 561822749 /nfs/dbraw/zinc/82/27/49/561822749.db2.gz NFHNXMDJXAKTGJ-UHFFFAOYSA-N -1 0 706.529 1.489 1 0 KDAFRM C[C@@H]([NH2+][C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)[O-])c(=O)n3cc2F)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000026832733 561823319 /nfs/dbraw/zinc/82/33/19/561823319.db2.gz NNMJPUCKQAQXQR-MBNYWOFBSA-N -1 0 547.490 1.623 1 0 KDAFRM C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)[O-])c(=O)n3cc2F)C1)C(=O)[O-] ZINC000026832737 561823316 /nfs/dbraw/zinc/82/33/16/561823316.db2.gz NNMJPUCKQAQXQR-SGMGOOAPSA-N -1 0 547.490 1.623 1 0 KDAFRM C[C@@H]([NH2+][C@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)[O-])c(=O)n3cc2F)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000026832740 561823332 /nfs/dbraw/zinc/82/33/32/561823332.db2.gz NNMJPUCKQAQXQR-DYEKYZERSA-N -1 0 547.490 1.623 1 0 KDAFRM C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)[O-])c(=O)n3cc2F)C1)C(=O)[O-] ZINC000026832743 561823348 /nfs/dbraw/zinc/82/33/48/561823348.db2.gz NNMJPUCKQAQXQR-OBJOEFQTSA-N -1 0 547.490 1.623 1 0 KDAFRM CC(=O)N[C@@H]1[C@H](O)C[C@@](OCCCCCCCCC(=O)NCc2cccc3ccccc32)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO ZINC000026844895 561826407 /nfs/dbraw/zinc/82/64/07/561826407.db2.gz OHEFTWHCQWUHJF-LYJHEZCPSA-N -1 0 604.697 1.353 1 0 KDAFRM CCOC(=O)N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)[O-])CC2)cc1 ZINC000026846090 561826552 /nfs/dbraw/zinc/82/65/52/561826552.db2.gz BHNLTXGSRWSNFR-QFIPXVFZSA-N -1 0 540.573 1.897 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(O[C@@H](C(N)=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026850773 561827329 /nfs/dbraw/zinc/82/73/29/561827329.db2.gz MKMJHDXFAKQELV-XXBNENTESA-N -1 0 603.625 1.907 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(O[C@@H](C(N)=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026850779 561827290 /nfs/dbraw/zinc/82/72/90/561827290.db2.gz MKMJHDXFAKQELV-CVDCTZTESA-N -1 0 603.625 1.907 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(O[C@H](C(N)=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026850785 561827274 /nfs/dbraw/zinc/82/72/74/561827274.db2.gz MKMJHDXFAKQELV-AUSIDOKSSA-N -1 0 603.625 1.907 1 0 KDAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(O[C@H](C(N)=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026850792 561827264 /nfs/dbraw/zinc/82/72/64/561827264.db2.gz MKMJHDXFAKQELV-WMZHIEFXSA-N -1 0 603.625 1.907 1 0 KDAFRM C[C@@H]([NH2+][C@@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000026938019 581094774 /nfs/dbraw/zinc/09/47/74/581094774.db2.gz AMUOMYNSVLFGSU-BYCMXARLSA-N -1 0 517.320 1.517 1 0 KDAFRM C[C@H]([NH2+][C@@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000026938025 561827834 /nfs/dbraw/zinc/82/78/34/561827834.db2.gz AMUOMYNSVLFGSU-TUKIKUTGSA-N -1 0 517.320 1.517 1 0 KDAFRM C[C@@H]([NH2+][C@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000026938031 581094810 /nfs/dbraw/zinc/09/48/10/581094810.db2.gz AMUOMYNSVLFGSU-KCPJHIHWSA-N -1 0 517.320 1.517 1 0 KDAFRM C[C@H]([NH2+][C@H](CCC(=O)Nc1ccc(I)cc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000026938037 561827826 /nfs/dbraw/zinc/82/78/26/561827826.db2.gz AMUOMYNSVLFGSU-NILFDRSVSA-N -1 0 517.320 1.517 1 0 KDAFRM COC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026945288 561828449 /nfs/dbraw/zinc/82/84/49/561828449.db2.gz UXMGFQOCHSTZBC-KBPBESRZSA-N -1 0 515.306 1.369 1 0 KDAFRM CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026948784 561828734 /nfs/dbraw/zinc/82/87/34/561828734.db2.gz XGGKOFXFPUUUAC-FKBYEOEOSA-N -1 0 632.715 1.838 1 0 KDAFRM C[C@@H](O)[C@@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953015 561828978 /nfs/dbraw/zinc/82/89/78/561828978.db2.gz PSUQBASLEVJDCX-AHRAZQBNSA-N -1 0 683.762 1.823 1 0 KDAFRM C[C@H](O)[C@@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953022 561828962 /nfs/dbraw/zinc/82/89/62/561828962.db2.gz PSUQBASLEVJDCX-PNTPWTCOSA-N -1 0 683.762 1.823 1 0 KDAFRM C[C@@H](O)[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953026 561828938 /nfs/dbraw/zinc/82/89/38/561828938.db2.gz PSUQBASLEVJDCX-ABHHJKIASA-N -1 0 683.762 1.823 1 0 KDAFRM C[C@H](O)[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953034 561828975 /nfs/dbraw/zinc/82/89/75/561828975.db2.gz PSUQBASLEVJDCX-MRCYVFKASA-N -1 0 683.762 1.823 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)([O-])OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1F ZINC000026988537 561832233 /nfs/dbraw/zinc/83/22/33/561832233.db2.gz IVQQHVQAJBYSCW-DSLXNQLJSA-N -1 0 524.442 1.443 1 0 KDAFRM CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Oc2ccc(OC(C)=O)cc2)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000026991386 561832530 /nfs/dbraw/zinc/83/25/30/561832530.db2.gz KAONHPNWWFQQQB-HJOGWXRNSA-N -1 0 543.573 1.154 1 0 KDAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)c1nccs1 ZINC000026997170 561833391 /nfs/dbraw/zinc/83/33/91/561833391.db2.gz ZIKNNGULEXDFKD-ZVZYQTTQSA-N -1 0 504.565 1.741 1 0 KDAFRM O=C([O-])[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1 ZINC000027079609 561834710 /nfs/dbraw/zinc/83/47/10/561834710.db2.gz FJLLDWFNJXTUIM-ZNZIZOMTSA-N -1 0 578.666 1.625 1 0 KDAFRM C[C@@](Cc1ccc(O)cc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000027079655 561834693 /nfs/dbraw/zinc/83/46/93/561834693.db2.gz SNBGVDCZNWLTAD-ZDQHWEPJSA-N -1 0 608.692 1.721 1 0 KDAFRM C[C@](Cc1ccc(O)cc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000027079667 561834878 /nfs/dbraw/zinc/83/48/78/561834878.db2.gz SNBGVDCZNWLTAD-RCXVBCEZSA-N -1 0 608.692 1.721 1 0 KDAFRM CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000027084280 561835817 /nfs/dbraw/zinc/83/58/17/561835817.db2.gz RXKVIPFWMWIWMP-CQCRDEEPSA-N -1 0 737.895 1.963 1 0 KDAFRM O=C([O-])[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1 ZINC000027085160 561835917 /nfs/dbraw/zinc/83/59/17/561835917.db2.gz FJLLDWFNJXTUIM-GSDHBNRESA-N -1 0 578.666 1.625 1 0 KDAFRM O=C([O-])CCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O ZINC000027092154 561837450 /nfs/dbraw/zinc/83/74/50/561837450.db2.gz TWASNCSXXCVMQQ-DEGSFCBCSA-N -1 0 680.762 1.520 1 0 KDAFRM C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027105645 561839974 /nfs/dbraw/zinc/83/99/74/561839974.db2.gz ITWCWYORZHLISK-MGKKLRQFSA-N -1 0 636.706 1.281 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(N)=O ZINC000027107442 561840476 /nfs/dbraw/zinc/84/04/76/561840476.db2.gz WKBVEFTWXJZTSH-KPQYALRZSA-N -1 0 602.689 1.084 1 0 KDAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC ZINC000027109998 561841359 /nfs/dbraw/zinc/84/13/59/561841359.db2.gz KZXMYBZMSWABMA-LJWNLINESA-N -1 0 664.760 1.031 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)CC(C)(C)C)C(C)C ZINC000027182339 561841949 /nfs/dbraw/zinc/84/19/49/561841949.db2.gz NGQWYGQBJMCKRQ-DTSFCTBBSA-N -1 0 744.931 1.271 1 0 KDAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O ZINC000027185115 561842491 /nfs/dbraw/zinc/84/24/91/561842491.db2.gz CQDYVYZPUBHPKZ-DZUOILHNSA-N -1 0 676.771 1.364 1 0 KDAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000027186719 561842708 /nfs/dbraw/zinc/84/27/08/561842708.db2.gz ISNYRALHPCMLCB-LJWNLINESA-N -1 0 634.734 1.405 1 0 KDAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC ZINC000027198499 561844623 /nfs/dbraw/zinc/84/46/23/561844623.db2.gz RVDPZIJSKACWLV-LJWNLINESA-N -1 0 648.761 1.795 1 0 KDAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC ZINC000027198506 561844663 /nfs/dbraw/zinc/84/46/63/561844663.db2.gz XRNKCDDKPCOBKG-FWEHEUNISA-N -1 0 650.733 1.625 1 0 KDAFRM CO[C@H]1C(=O)N2C(C(=O)N(C)Cc3ccccc3)=C(COC(=O)c3ccc(C(=O)[O-])cc3)CS(=O)(=O)[C@H]12 ZINC000027203378 561845485 /nfs/dbraw/zinc/84/54/85/561845485.db2.gz KKNLFEBMICULJX-NZQKXSOJSA-N -1 0 528.539 1.066 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(O)cccc1O ZINC000027216918 561848596 /nfs/dbraw/zinc/84/85/96/561848596.db2.gz JHHOTVFSSKKUTD-IAKTWSEQSA-N -1 0 585.610 1.062 1 0 KDAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)N[C@@H](CCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000027302410 561849220 /nfs/dbraw/zinc/84/92/20/561849220.db2.gz QRQFMTYAJVQMHW-SDHOMARFSA-N -1 0 577.682 1.759 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@]3(C2)C[C@@H](CNC2N=CC=N2)N(C(=O)OCc2ccccc2)C3)C(=O)[O-])c(C)c1 ZINC000027304467 561849398 /nfs/dbraw/zinc/84/93/98/561849398.db2.gz MDRYYKCWQBJPBJ-OBFLODNTSA-N -1 0 667.745 1.414 1 0 KDAFRM COC(=O)N1C[C@@]2(CC(C(=O)NC[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])=NO2)C[C@H]1CNc1nc2ccccc2[nH]1 ZINC000027304853 561849365 /nfs/dbraw/zinc/84/93/65/561849365.db2.gz OMXIQNJVPRHGNN-IFCAXNDLSA-N -1 0 641.707 1.804 1 0 KDAFRM COC(=O)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2[P@](=O)([O-])CNC(=O)[C@H](C)NC(C)=O)cc1 ZINC000027307282 561849861 /nfs/dbraw/zinc/84/98/61/561849861.db2.gz JTMWSNPYQXYJTA-LQGLAIQGSA-N -1 0 615.624 1.316 1 0 KDAFRM COC(=O)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2[P@](=O)([O-])CNC(=O)[C@H](C)NC(C)=O)cc1 ZINC000027307288 561849890 /nfs/dbraw/zinc/84/98/90/561849890.db2.gz JTMWSNPYQXYJTA-PNTFMKQHSA-N -1 0 615.624 1.316 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)[C@@H](CNC(=O)C2=NOC3(C2)CCC(C(=O)Nc2ncc[nH]2)CC3)C(=O)[O-])c(C)c1 ZINC000027309072 561850386 /nfs/dbraw/zinc/85/03/86/561850386.db2.gz KXBKHFWEPDTRQO-HTHJYTGDSA-N -1 0 545.618 1.444 1 0 KDAFRM CC(=O)N(CC(=O)N(CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N(CC(=O)N(CC(=O)[O-])C(C)C)C(C)C)C(C)C)Cc1ccccc1 ZINC000027309500 561850375 /nfs/dbraw/zinc/85/03/75/561850375.db2.gz PJPBAIAEHABCJM-LOYHVIPDSA-N -1 0 698.862 1.813 1 0 KDAFRM CC(C)N(CC(=O)[O-])C(=O)CN(C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)CN(C(=O)C[NH2+]Cc1ccccc1)C(C)C)C(C)C ZINC000027309544 561850359 /nfs/dbraw/zinc/85/03/59/561850359.db2.gz FFXJLTHOGMGUJG-VSGBNLITSA-N -1 0 656.825 1.554 1 0 KDAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027319087 561852321 /nfs/dbraw/zinc/85/23/21/561852321.db2.gz VGYQDVAZRUAQMX-UHFFFAOYSA-N -1 0 611.677 1.304 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](N)c4ccc5c(c4)OCO5)[C@@H]3SC2)s1 ZINC000027330625 561854873 /nfs/dbraw/zinc/85/48/73/561854873.db2.gz XHJDIATYHUMLKT-DEYYWGMASA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](N)c4ccc5c(c4)OCO5)[C@H]3SC2)s1 ZINC000027330631 561854888 /nfs/dbraw/zinc/85/48/88/561854888.db2.gz XHJDIATYHUMLKT-SUNYJGFJSA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](N)c4ccc5c(c4)OCO5)[C@@H]3SC2)s1 ZINC000027330635 561854907 /nfs/dbraw/zinc/85/49/07/561854907.db2.gz XHJDIATYHUMLKT-IYOUNJFTSA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](N)c4ccc5c(c4)OCO5)[C@H]3SC2)s1 ZINC000027330640 561854886 /nfs/dbraw/zinc/85/48/86/561854886.db2.gz XHJDIATYHUMLKT-PMUMKWKESA-N -1 0 521.602 1.106 1 0 KDAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(=O)N(CC)CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027331105 561855033 /nfs/dbraw/zinc/85/50/33/561855033.db2.gz PINZSEIGRQUETR-UHFFFAOYSA-N -1 0 639.731 1.940 1 0 KDAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027331107 561854996 /nfs/dbraw/zinc/85/49/96/561854996.db2.gz QRJXVQZMRFPVAR-UHFFFAOYSA-N -1 0 639.731 1.940 1 0 KDAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(=O)N(CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027332277 561855275 /nfs/dbraw/zinc/85/52/75/561855275.db2.gz JEROSORNYPZEHT-UHFFFAOYSA-N -1 0 639.731 1.940 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCCC(C)C)C(C)(C)C ZINC000027410248 561856336 /nfs/dbraw/zinc/85/63/36/561856336.db2.gz IYIUKXKMKPFRBK-AWRGLXIESA-N -1 0 596.770 1.508 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCCC(C)(C)C)C(C)(C)C ZINC000027413664 561856830 /nfs/dbraw/zinc/85/68/30/561856830.db2.gz IJAJBUCUDNCTMV-AWRGLXIESA-N -1 0 610.797 1.898 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(C)C)C(C)(C)C ZINC000027415511 561857076 /nfs/dbraw/zinc/85/70/76/561857076.db2.gz KRQIXWLSEPGFQM-SXWKCWPCSA-N -1 0 582.743 1.118 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(C)(C)C)C(C)(C)C ZINC000027415517 561857057 /nfs/dbraw/zinc/85/70/57/561857057.db2.gz KPGBASAKRFATDZ-SXWKCWPCSA-N -1 0 596.770 1.508 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C ZINC000027418578 561857301 /nfs/dbraw/zinc/85/73/01/561857301.db2.gz YVSJBLJVDLTVFG-KDNSLJGTSA-N -1 0 610.797 1.897 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N(C)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000027418953 561857438 /nfs/dbraw/zinc/85/74/38/561857438.db2.gz PWLYPDTXWMJRAI-LCXINAFSSA-N -1 0 651.758 1.093 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C ZINC000027422141 561857861 /nfs/dbraw/zinc/85/78/61/561857861.db2.gz ZJTODRDPAGWPEJ-DEJKCJRPSA-N -1 0 640.823 1.259 1 0 KDAFRM CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000027422677 561858003 /nfs/dbraw/zinc/85/80/03/561858003.db2.gz YVSJBLJVDLTVFG-SODVOOIJSA-N -1 0 610.797 1.897 1 0 KDAFRM CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O ZINC000027424799 561858284 /nfs/dbraw/zinc/85/82/84/561858284.db2.gz VQUSCFQMVXTWKF-QJJBCJIQSA-N -1 0 624.739 1.365 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](C2CCCC2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027427082 561858692 /nfs/dbraw/zinc/85/86/92/561858692.db2.gz BVAWPBTZOQZBSS-YTZVEHKTSA-N -1 0 636.750 1.365 1 0 KDAFRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027428233 561858951 /nfs/dbraw/zinc/85/89/51/561858951.db2.gz XUFSYXVSQNGXSZ-QSIITTNHSA-N -1 0 633.787 1.479 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(C[P@@](=O)([O-])O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000027429033 561858967 /nfs/dbraw/zinc/85/89/67/561858967.db2.gz GHMVHKGCXCGHCL-LROMGURASA-N -1 0 699.808 1.219 1 0 KDAFRM CC(C)C[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)[O-])C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N1C ZINC000027430867 561859355 /nfs/dbraw/zinc/85/93/55/561859355.db2.gz DAFCCKSWJXSKCS-VHXXSLDJSA-N -1 0 624.739 1.173 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O ZINC000027431004 561859317 /nfs/dbraw/zinc/85/93/17/561859317.db2.gz UMKHUVRCCMAOBN-OTPQXUHPSA-N -1 0 612.728 1.125 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027431333 561859358 /nfs/dbraw/zinc/85/93/58/561859358.db2.gz PTHCNAFMSNFAAH-OPTOMFAQSA-N -1 0 624.739 1.221 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027431556 561859318 /nfs/dbraw/zinc/85/93/18/561859318.db2.gz ACDPDEUYTFMJKV-LYCWUKGISA-N -1 0 633.787 1.479 1 0 KDAFRM CC(C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC1=O ZINC000027431622 561859300 /nfs/dbraw/zinc/85/93/00/561859300.db2.gz JRELUEXUJRRKQF-OKZCYYNBSA-N -1 0 624.739 1.269 1 0 KDAFRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027431955 561859513 /nfs/dbraw/zinc/85/95/13/561859513.db2.gz XUFSYXVSQNGXSZ-QPGFMSSHSA-N -1 0 633.787 1.479 1 0 KDAFRM CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C)C(C)C ZINC000027431960 561859432 /nfs/dbraw/zinc/85/94/32/561859432.db2.gz ZRZMPGJQZBLIMC-CADLLZAKSA-N -1 0 619.760 1.089 1 0 KDAFRM CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027432456 561859522 /nfs/dbraw/zinc/85/95/22/561859522.db2.gz ACDPDEUYTFMJKV-NGFMZXAOSA-N -1 0 633.787 1.479 1 0 KDAFRM CC[C@@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O ZINC000027433410 561859763 /nfs/dbraw/zinc/85/97/63/561859763.db2.gz KHRTUHCOJNQEQG-CFDNVXEASA-N -1 0 624.739 1.221 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O ZINC000027433414 561859759 /nfs/dbraw/zinc/85/97/59/561859759.db2.gz KHRTUHCOJNQEQG-ARXLISONSA-N -1 0 624.739 1.221 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000027434646 561859857 /nfs/dbraw/zinc/85/98/57/561859857.db2.gz SXKLGECHTFDSFW-XEQFBJMUSA-N -1 0 647.814 1.869 1 0 KDAFRM CCCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027435114 561860001 /nfs/dbraw/zinc/86/00/01/561860001.db2.gz RFWMRXOXENXTLM-QPGFMSSHSA-N -1 0 633.787 1.623 1 0 KDAFRM CSCC[C@H]1NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O ZINC000027435326 561859984 /nfs/dbraw/zinc/85/99/84/561859984.db2.gz QGTRXDWKZQBLSI-XRKIENNPSA-N -1 0 644.795 1.078 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027435948 561860137 /nfs/dbraw/zinc/86/01/37/561860137.db2.gz HIPWCJVUSJIKPZ-BOJCFLQHSA-N -1 0 660.772 1.568 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000027436132 561860112 /nfs/dbraw/zinc/86/01/12/561860112.db2.gz OYUWAAXUJRTVGW-DFNYOQGASA-N -1 0 697.830 1.772 1 0 KDAFRM CCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C ZINC000027436258 561860121 /nfs/dbraw/zinc/86/01/21/561860121.db2.gz BNFDVVZQUBGLIW-YLGVKUCZSA-N -1 0 619.760 1.233 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](c2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027436498 561860225 /nfs/dbraw/zinc/86/02/25/561860225.db2.gz JKXUWOAACOJCSF-OFQZWMMDSA-N -1 0 644.729 1.548 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O ZINC000027436715 561860181 /nfs/dbraw/zinc/86/01/81/561860181.db2.gz QHKOFVLBKZCLQM-RYIFMDQWSA-N -1 0 626.755 1.371 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027436832 561860183 /nfs/dbraw/zinc/86/01/83/561860183.db2.gz XLUCRORHJQMGJU-KVFWAJHPSA-N -1 0 638.766 1.611 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](c2cccs2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027436833 561860186 /nfs/dbraw/zinc/86/01/86/561860186.db2.gz KXUDUVUGZWJNHV-PFGYYQCGSA-N -1 0 650.758 1.609 1 0 KDAFRM CC(C)C[C@H]1NC(=O)[C@H](C2=CCC=CC2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000027436834 561860207 /nfs/dbraw/zinc/86/02/07/561860207.db2.gz ITNKUOMWUJUGOI-OFQZWMMDSA-N -1 0 646.745 1.451 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C(=O)C(=O)[O-] ZINC000027517984 561861724 /nfs/dbraw/zinc/86/17/24/561861724.db2.gz YSBBODNHDOIMAM-CUUWFGFTSA-N -1 0 536.670 1.427 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C(=O)C(=O)[O-] ZINC000027517985 561861657 /nfs/dbraw/zinc/86/16/57/561861657.db2.gz YSBBODNHDOIMAM-TWGBQZSLSA-N -1 0 536.670 1.427 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C(=O)C(=O)[O-] ZINC000027517986 561861660 /nfs/dbraw/zinc/86/16/60/561861660.db2.gz YSBBODNHDOIMAM-ITBHCLRTSA-N -1 0 536.670 1.427 1 0 KDAFRM [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C(=O)C(=O)[O-] ZINC000027517987 561861703 /nfs/dbraw/zinc/86/17/03/561861703.db2.gz YSBBODNHDOIMAM-YHINDDMVSA-N -1 0 536.670 1.427 1 0 KDAFRM NS(=O)(=O)c1cc(S(N)(=O)=O)c([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl ZINC000027521215 561863930 /nfs/dbraw/zinc/86/39/30/561863930.db2.gz ZBLJCLKBDJGJAM-UHFFFAOYSA-N -1 0 515.847 1.131 1 0 KDAFRM NS(=O)(=O)c1cc(S(N)(=O)=O)c([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl ZINC000027521466 561864062 /nfs/dbraw/zinc/86/40/62/561864062.db2.gz DKRZGFJECQAEOA-UHFFFAOYSA-N -1 0 550.292 1.785 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027521726 561864137 /nfs/dbraw/zinc/86/41/37/561864137.db2.gz WXVQNFOMPPUFDV-FWEHEUNISA-N -1 0 662.744 1.767 1 0 KDAFRM NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1 ZINC000027522084 561864318 /nfs/dbraw/zinc/86/43/18/561864318.db2.gz TVJTWYJZBRSCTJ-UHFFFAOYSA-N -1 0 529.450 1.934 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](Nc3cc[n+](COCC(Cl)(Cl)Cl)cc3C(=O)[O-])[C@H]2SC1 ZINC000027523616 561865132 /nfs/dbraw/zinc/86/51/32/561865132.db2.gz QZTSVLVIADXABK-IUODEOHRSA-O -1 0 611.897 1.367 1 0 KDAFRM C[C@H](NC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(=O)N(CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000027547838 561867209 /nfs/dbraw/zinc/86/72/09/561867209.db2.gz VSWJFDVNSYSZAC-AWEZNQCLSA-N -1 0 519.488 1.153 1 0 KDAFRM O=C([O-])CCN(C(=O)CNC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCc1ccccc1 ZINC000027550204 561867735 /nfs/dbraw/zinc/86/77/35/561867735.db2.gz WOCBHXLMEDMERT-UHFFFAOYSA-N -1 0 519.488 1.155 1 0 KDAFRM O=C([O-])CCN(C(=O)CCNC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCc1ccccc1 ZINC000027551828 561868187 /nfs/dbraw/zinc/86/81/87/561868187.db2.gz XFNAQNTYZIISTI-UHFFFAOYSA-N -1 0 533.515 1.545 1 0 KDAFRM C[C@@H](NC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CC1(Cl)Cl)C(=O)N[C@@H](C)C(=O)[O-] ZINC000027620740 561872373 /nfs/dbraw/zinc/87/23/73/561872373.db2.gz HRXSDXMQXGTODH-BFJAYTPKSA-N -1 0 516.378 1.078 1 0 KDAFRM C[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CC1(Cl)Cl)C(=O)[O-] ZINC000027620749 561872344 /nfs/dbraw/zinc/87/23/44/561872344.db2.gz HRXSDXMQXGTODH-DARAHFNDSA-N -1 0 516.378 1.078 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N[C@H](C)C(=O)[O-])C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027635909 561874369 /nfs/dbraw/zinc/87/43/69/561874369.db2.gz GIHYLUXSZZSGKM-LQJIQPLVSA-N -1 0 529.594 1.939 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCC(=O)Nc3ncc[nH]3)c2)C(=O)[O-])c(C)c1 ZINC000027640686 561875356 /nfs/dbraw/zinc/87/53/56/561875356.db2.gz XSHHRTWBIDIZKK-FQEVSTJZSA-N -1 0 567.628 1.297 1 0 KDAFRM CC(C)CNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)C(=O)[O-] ZINC000027653556 561877039 /nfs/dbraw/zinc/87/70/39/561877039.db2.gz YPOYUQSIPFGFOL-IBGZPJMESA-N -1 0 517.612 1.197 1 0 KDAFRM CC(=O)OCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)[O-])C(=O)NCC(C)C ZINC000027654828 561877260 /nfs/dbraw/zinc/87/72/60/561877260.db2.gz FQFQVINPQPAWNY-ROHNOIKCSA-N -1 0 563.692 1.812 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NS(=O)(=O)NCc1ccccc1 ZINC000027656024 561877562 /nfs/dbraw/zinc/87/75/62/561877562.db2.gz YFYOBLXHHFKNOF-QFIPXVFZSA-N -1 0 551.629 1.741 1 0 KDAFRM CCCCOC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000027656833 561877817 /nfs/dbraw/zinc/87/78/17/561877817.db2.gz ACDMHLAVMTZWNJ-QGZVFWFLSA-N -1 0 510.555 1.527 1 0 KDAFRM CCCCOC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000027656835 561877801 /nfs/dbraw/zinc/87/78/01/561877801.db2.gz ACDMHLAVMTZWNJ-KRWDZBQOSA-N -1 0 510.555 1.527 1 0 KDAFRM CC[C@H](C)[C@@H](NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000027706923 561878944 /nfs/dbraw/zinc/87/89/44/561878944.db2.gz PUGHLRZDKTZGIQ-WDLXWIDSSA-N -1 0 603.676 1.709 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000027706933 561878957 /nfs/dbraw/zinc/87/89/57/561878957.db2.gz PUGHLRZDKTZGIQ-ROJJTTASSA-N -1 0 603.676 1.709 1 0 KDAFRM CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)[O-] ZINC000027707002 561878970 /nfs/dbraw/zinc/87/89/70/561878970.db2.gz BIQKMOUAVXIPRL-LDVJMBRRSA-N -1 0 521.655 1.241 1 0 KDAFRM CCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)OCC)C(=O)OCC)cc1)NC(=O)CCC(=O)[O-] ZINC000027711092 561879624 /nfs/dbraw/zinc/87/96/24/561879624.db2.gz PZURPSBIRUVOCW-LJQANCHMSA-N -1 0 508.568 1.759 1 0 KDAFRM C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O ZINC000027729337 561881126 /nfs/dbraw/zinc/88/11/26/561881126.db2.gz BDKLOKRNGDIZTO-JCLAXVLHSA-N -1 0 660.772 1.987 1 0 KDAFRM C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O ZINC000027729495 561881122 /nfs/dbraw/zinc/88/11/22/561881122.db2.gz IGRWACKWFPEOGV-ZIZQKJAQSA-N -1 0 646.745 1.597 1 0 KDAFRM O=C([O-])[C@H]1O[C@@H](O[C@@H](COc2cccc3ncccc32)CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000027730180 561881350 /nfs/dbraw/zinc/88/13/50/561881350.db2.gz DVXLGOAWMYNVBK-BQURHWQOSA-N -1 0 657.720 1.867 1 0 KDAFRM O=C([O-])[C@H]1O[C@@H](O[C@H](COc2cccc3ncccc32)CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000027730187 561881278 /nfs/dbraw/zinc/88/12/78/561881278.db2.gz DVXLGOAWMYNVBK-XRBOKJRUSA-N -1 0 657.720 1.867 1 0 KDAFRM Cc1cc2nc(CN3CC[NH+](C)CC3)[nH]c(=O)c2cc1CN(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000027754377 561883483 /nfs/dbraw/zinc/88/34/83/561883483.db2.gz JGRJYCLVVYNZMI-QHCPKHFHSA-N -1 0 582.633 1.802 1 0 KDAFRM Cc1cc2nc(CN3CC[NH+](C)CC3)[nH]c(=O)c2cc1CN(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000027754385 561883528 /nfs/dbraw/zinc/88/35/28/561883528.db2.gz JGRJYCLVVYNZMI-HSZRJFAPSA-N -1 0 582.633 1.802 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027766245 561884586 /nfs/dbraw/zinc/88/45/86/561884586.db2.gz ZMHRAQMRFBHOKH-VXKWHMMOSA-N -1 0 502.527 1.930 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000027766253 561884572 /nfs/dbraw/zinc/88/45/72/561884572.db2.gz ZMHRAQMRFBHOKH-FCHUYYIVSA-N -1 0 502.527 1.930 1 0 KDAFRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000027769275 561885082 /nfs/dbraw/zinc/88/50/82/561885082.db2.gz QQSLHONKFQQQNS-ZEQRLZLVSA-N -1 0 564.620 1.889 1 0 KDAFRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000027769281 561885017 /nfs/dbraw/zinc/88/50/17/561885017.db2.gz QQSLHONKFQQQNS-BJKOFHAPSA-N -1 0 564.620 1.889 1 0 KDAFRM COC(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](CCSC)NC(=O)CC(C)C ZINC000027842294 561885127 /nfs/dbraw/zinc/88/51/27/561885127.db2.gz NPNIQKVCDVHVSM-BBWFWOEESA-N -1 0 532.660 1.034 1 0 KDAFRM COC(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCSC)NC(=O)CC(C)C ZINC000027842304 561885102 /nfs/dbraw/zinc/88/51/02/561885102.db2.gz NPNIQKVCDVHVSM-ULQDDVLXSA-N -1 0 532.660 1.034 1 0 KDAFRM Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC000027885458 561889444 /nfs/dbraw/zinc/88/94/44/561889444.db2.gz VCAWYINFKQXVBH-KEXZDOINSA-N -1 0 541.670 1.958 1 0 KDAFRM Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC000027885465 561889459 /nfs/dbraw/zinc/88/94/59/561889459.db2.gz VCAWYINFKQXVBH-PGEXYDAJSA-N -1 0 541.670 1.958 1 0 KDAFRM Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC000027885473 561889427 /nfs/dbraw/zinc/88/94/27/561889427.db2.gz VCAWYINFKQXVBH-PPMIAYNCSA-N -1 0 541.670 1.958 1 0 KDAFRM Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000027885481 561889436 /nfs/dbraw/zinc/88/94/36/561889436.db2.gz VCAWYINFKQXVBH-PPAVOTHMSA-N -1 0 541.670 1.958 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCN(C=O)CC3)cc21 ZINC000027900834 561890996 /nfs/dbraw/zinc/89/09/96/561890996.db2.gz UYHOAGSPVLSZBJ-IRPSRAIASA-N -1 0 683.740 1.639 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2cc3c(cc21)OCO3 ZINC000027982184 561891807 /nfs/dbraw/zinc/89/18/07/561891807.db2.gz ZFHOUKINXHANPE-KCWPFWIISA-N -1 0 607.597 1.725 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@@H]3SC2)c(=O)c2cc3c(cc21)OCO3 ZINC000027987034 561892327 /nfs/dbraw/zinc/89/23/27/561892327.db2.gz QDHVVWBAMJFODI-BWKNWUBXSA-N -1 0 597.627 1.950 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2ccc(C)nc21 ZINC000027987222 561892320 /nfs/dbraw/zinc/89/23/20/561892320.db2.gz IWWIUQAVUVCCJD-RLWLMLJZSA-N -1 0 578.603 1.699 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000027993483 561893313 /nfs/dbraw/zinc/89/33/13/561893313.db2.gz XASZRMABFYDSRH-HJOGWXRNSA-N -1 0 723.752 1.954 1 0 KDAFRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000027993489 561893291 /nfs/dbraw/zinc/89/32/91/561893291.db2.gz XASZRMABFYDSRH-SGNDLWITSA-N -1 0 723.752 1.954 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000027993495 561893298 /nfs/dbraw/zinc/89/32/98/561893298.db2.gz XASZRMABFYDSRH-VXNXHJTFSA-N -1 0 723.752 1.954 1 0 KDAFRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000027993501 561893427 /nfs/dbraw/zinc/89/34/27/561893427.db2.gz XASZRMABFYDSRH-SMIHKQSGSA-N -1 0 723.752 1.954 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCN(C=O)CC3)cc21 ZINC000027993902 561893450 /nfs/dbraw/zinc/89/34/50/561893450.db2.gz GHTXWGBEQFZCPN-JOMNFKBKSA-N -1 0 693.710 1.413 1 0 KDAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)[O-] ZINC000027998035 561894163 /nfs/dbraw/zinc/89/41/63/561894163.db2.gz UAMCDXMHFCRRRM-ZJOUEHCJSA-N -1 0 596.628 1.659 1 0 KDAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)[O-] ZINC000027998039 561894174 /nfs/dbraw/zinc/89/41/74/561894174.db2.gz UAMCDXMHFCRRRM-DYXWJJEUSA-N -1 0 596.628 1.659 1 0 KDAFRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027998299 561894172 /nfs/dbraw/zinc/89/41/72/561894172.db2.gz XRJYMPKANIKEBH-VABKMULXSA-N -1 0 636.674 1.820 1 0 KDAFRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027998304 561894147 /nfs/dbraw/zinc/89/41/47/561894147.db2.gz XRJYMPKANIKEBH-VJBWXMMDSA-N -1 0 636.674 1.820 1 0 KDAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000028000088 561894599 /nfs/dbraw/zinc/89/45/99/561894599.db2.gz SDLUFIKRIAFAED-YTFSRNRJSA-N -1 0 570.691 1.651 1 0 KDAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CO)C(=O)[O-] ZINC000028001453 561894776 /nfs/dbraw/zinc/89/47/76/561894776.db2.gz GHWMOQMDESTBOY-YTFSRNRJSA-N -1 0 543.665 1.768 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCC(C(N)=O)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016293 561897439 /nfs/dbraw/zinc/89/74/39/561897439.db2.gz XVRVLZVMHDLDBD-DQEYMECFSA-N -1 0 589.649 1.931 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCC(C(N)=O)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016298 561897494 /nfs/dbraw/zinc/89/74/94/561897494.db2.gz XVRVLZVMHDLDBD-LOSJGSFVSA-N -1 0 589.649 1.931 1 0 KDAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCC(C(N)=O)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016304 561897474 /nfs/dbraw/zinc/89/74/74/561897474.db2.gz XVRVLZVMHDLDBD-RPBOFIJWSA-N -1 0 589.649 1.931 1 0 KDAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCC(C(N)=O)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016309 561897403 /nfs/dbraw/zinc/89/74/03/561897403.db2.gz XVRVLZVMHDLDBD-JWQCQUIFSA-N -1 0 589.649 1.931 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016753 561897602 /nfs/dbraw/zinc/89/76/02/561897602.db2.gz TZKRRTOCBYVBAB-DQEYMECFSA-N -1 0 561.639 1.981 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016754 561897532 /nfs/dbraw/zinc/89/75/32/561897532.db2.gz TZKRRTOCBYVBAB-LOSJGSFVSA-N -1 0 561.639 1.981 1 0 KDAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016756 561897505 /nfs/dbraw/zinc/89/75/05/561897505.db2.gz TZKRRTOCBYVBAB-RPBOFIJWSA-N -1 0 561.639 1.981 1 0 KDAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028016759 561897597 /nfs/dbraw/zinc/89/75/97/561897597.db2.gz TZKRRTOCBYVBAB-JWQCQUIFSA-N -1 0 561.639 1.981 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)NCCCC(=O)[O-] ZINC000028017973 561897904 /nfs/dbraw/zinc/89/79/04/561897904.db2.gz VWSGPQWRZILIOD-CQJMVLFOSA-N -1 0 644.770 1.836 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)CCCC(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028093053 561900363 /nfs/dbraw/zinc/90/03/63/561900363.db2.gz MKCUGJOPHAFDDF-ZEQRLZLVSA-N -1 0 577.638 1.931 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)CCCC(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028093059 561900406 /nfs/dbraw/zinc/90/04/06/561900406.db2.gz MKCUGJOPHAFDDF-BJKOFHAPSA-N -1 0 577.638 1.931 1 0 KDAFRM CC(=O)OCC1=C(C(=O)N[C@H](CC(C)C)C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC000028095209 561900692 /nfs/dbraw/zinc/90/06/92/561900692.db2.gz RRXQLRYSRGQWLE-QLVMHMETSA-N -1 0 509.606 1.123 1 0 KDAFRM CC(=O)OCC1=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC000028095213 561900625 /nfs/dbraw/zinc/90/06/25/561900625.db2.gz RRXQLRYSRGQWLE-LUQKVYGDSA-N -1 0 509.606 1.123 1 0 KDAFRM Cc1cn([C@H]2C=C[C@H](COC(=O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)O2)c(=O)[nH]c1=O ZINC000028095317 561900824 /nfs/dbraw/zinc/90/08/24/561900824.db2.gz ZLGSQILIYXYAOK-HOYKHHGWSA-N -1 0 595.584 1.151 1 0 KDAFRM Cc1cn([C@@H]2C=C[C@H](COC(=O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)O2)c(=O)[nH]c1=O ZINC000028095325 561900833 /nfs/dbraw/zinc/90/08/33/561900833.db2.gz ZLGSQILIYXYAOK-KOSHJBKYSA-N -1 0 595.584 1.151 1 0 KDAFRM Cc1cn([C@H]2C=C[C@@H](COC(=O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)O2)c(=O)[nH]c1=O ZINC000028095333 561900829 /nfs/dbraw/zinc/90/08/29/561900829.db2.gz ZLGSQILIYXYAOK-MHECFPHRSA-N -1 0 595.584 1.151 1 0 KDAFRM Cc1cn([C@@H]2C=C[C@@H](COC(=O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)O2)c(=O)[nH]c1=O ZINC000028095341 561900767 /nfs/dbraw/zinc/90/07/67/561900767.db2.gz ZLGSQILIYXYAOK-UUOWRZLLSA-N -1 0 595.584 1.151 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028101920 561901694 /nfs/dbraw/zinc/90/16/94/561901694.db2.gz MWIGPYCJGZVVQF-VXKWHMMOSA-N -1 0 520.542 1.870 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028101926 561901701 /nfs/dbraw/zinc/90/17/01/561901701.db2.gz MWIGPYCJGZVVQF-FCHUYYIVSA-N -1 0 520.542 1.870 1 0 KDAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028101930 561901666 /nfs/dbraw/zinc/90/16/66/561901666.db2.gz MWIGPYCJGZVVQF-YADHBBJMSA-N -1 0 520.542 1.870 1 0 KDAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028101937 561901668 /nfs/dbraw/zinc/90/16/68/561901668.db2.gz MWIGPYCJGZVVQF-FGZHOGPDSA-N -1 0 520.542 1.870 1 0 KDAFRM C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O ZINC000028102111 561901826 /nfs/dbraw/zinc/90/18/26/561901826.db2.gz BDKLOKRNGDIZTO-BGNUVLEZSA-N -1 0 660.772 1.987 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccncn1 ZINC000028107728 561902667 /nfs/dbraw/zinc/90/26/67/561902667.db2.gz HOZKRDBNWCYFAW-DFBJGRDBSA-N -1 0 508.531 1.757 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COn1nnc2ccccc2c1=O ZINC000028108972 561902719 /nfs/dbraw/zinc/90/27/19/561902719.db2.gz DZTMQXCVCJJQPP-CUNXSJBXSA-N -1 0 575.578 1.122 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ncnc2n[nH]cc21 ZINC000028108978 561902752 /nfs/dbraw/zinc/90/27/52/561902752.db2.gz GGVINDKCEGNOGQ-CYFREDJKSA-N -1 0 548.556 1.633 1 0 KDAFRM CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000028109037 561902766 /nfs/dbraw/zinc/90/27/66/561902766.db2.gz ANMIQUYNMBETMJ-JBYGMCGMSA-N -1 0 513.572 1.130 1 0 KDAFRM CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000028109044 561902720 /nfs/dbraw/zinc/90/27/20/561902720.db2.gz ANMIQUYNMBETMJ-OYWYANMWSA-N -1 0 513.572 1.130 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@@H](CC)CCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028111364 561903161 /nfs/dbraw/zinc/90/31/61/561903161.db2.gz OFCKEZCPNOZAFK-OEMKRMTGSA-N -1 0 721.856 1.665 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nnnn1C ZINC000028112712 561903256 /nfs/dbraw/zinc/90/32/56/561903256.db2.gz RUXXZGTZBNYEDV-JTSKRJEESA-N -1 0 528.591 1.204 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COn1nnc2ccccc21 ZINC000028116042 561903826 /nfs/dbraw/zinc/90/38/26/561903826.db2.gz KAHQZHZADBAQFM-IDISGSTGSA-N -1 0 547.568 1.762 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O ZINC000028122523 561904612 /nfs/dbraw/zinc/90/46/12/561904612.db2.gz NAZSWKZWCFVHEL-ROUUACIJSA-N -1 0 528.591 1.960 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O ZINC000028122530 561904660 /nfs/dbraw/zinc/90/46/60/561904660.db2.gz NAZSWKZWCFVHEL-ZWKOTPCHSA-N -1 0 528.591 1.960 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O ZINC000028122899 561904629 /nfs/dbraw/zinc/90/46/29/561904629.db2.gz WPBCCSIRQOJBIN-PMACEKPBSA-N -1 0 526.619 1.965 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O ZINC000028122906 561904610 /nfs/dbraw/zinc/90/46/10/561904610.db2.gz WPBCCSIRQOJBIN-VQTJNVASSA-N -1 0 526.619 1.965 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O ZINC000028128279 561905326 /nfs/dbraw/zinc/90/53/26/561905326.db2.gz NCCIOJYCWRHZMY-WMZOPIPTSA-N -1 0 535.517 1.995 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O ZINC000028128287 561905309 /nfs/dbraw/zinc/90/53/09/561905309.db2.gz NCCIOJYCWRHZMY-FUHWJXTLSA-N -1 0 535.517 1.995 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O ZINC000028129342 561905395 /nfs/dbraw/zinc/90/53/95/561905395.db2.gz VBXOCZFAWPHIJQ-ROUUACIJSA-N -1 0 528.591 1.960 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O ZINC000028129349 561905360 /nfs/dbraw/zinc/90/53/60/561905360.db2.gz VBXOCZFAWPHIJQ-ZWKOTPCHSA-N -1 0 528.591 1.960 1 0 KDAFRM CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(CC)nc(NCc2nonc2C)c1=O ZINC000028131876 561905815 /nfs/dbraw/zinc/90/58/15/561905815.db2.gz QFAGZHXWKDBXGQ-RBBKRZOGSA-N -1 0 576.699 1.648 1 0 KDAFRM CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(CC)nc(NCc2nonc2C)c1=O ZINC000028131883 561905810 /nfs/dbraw/zinc/90/58/10/561905810.db2.gz QFAGZHXWKDBXGQ-UNMCSNQZSA-N -1 0 576.699 1.648 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O ZINC000028132760 561906049 /nfs/dbraw/zinc/90/60/49/561906049.db2.gz UWYWIWOJPZFFAT-ZCYQVOJMSA-N -1 0 608.700 1.528 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O ZINC000028132768 561906027 /nfs/dbraw/zinc/90/60/27/561906027.db2.gz UWYWIWOJPZFFAT-UKILVPOCSA-N -1 0 608.700 1.528 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O ZINC000028133106 561906055 /nfs/dbraw/zinc/90/60/55/561906055.db2.gz GCDOZFZRBUNMDE-OALUTQOASA-N -1 0 527.607 1.360 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O ZINC000028133114 561906018 /nfs/dbraw/zinc/90/60/18/561906018.db2.gz GCDOZFZRBUNMDE-RBUKOAKNSA-N -1 0 527.607 1.360 1 0 KDAFRM CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1ccnc(NCc2nonc2C)c1=O ZINC000028136397 561906776 /nfs/dbraw/zinc/90/67/76/561906776.db2.gz GQDJBEWJIKPEQS-AZUAARDMSA-N -1 0 548.645 1.086 1 0 KDAFRM CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1ccnc(NCc2nonc2C)c1=O ZINC000028136403 561906690 /nfs/dbraw/zinc/90/66/90/561906690.db2.gz GQDJBEWJIKPEQS-ICSRJNTNSA-N -1 0 548.645 1.086 1 0 KDAFRM CCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000028136583 561906769 /nfs/dbraw/zinc/90/67/69/561906769.db2.gz CKRCPAGGKUFVIT-PZJWPPBQSA-N -1 0 590.726 1.993 1 0 KDAFRM CCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000028136590 561906729 /nfs/dbraw/zinc/90/67/29/561906729.db2.gz CKRCPAGGKUFVIT-FPOVZHCZSA-N -1 0 590.726 1.993 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O ZINC000028137519 561906989 /nfs/dbraw/zinc/90/69/89/561906989.db2.gz ULELQXPHOSNTHT-PKOBYXMFSA-N -1 0 528.591 1.960 1 0 KDAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCN1CCCCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000028137579 561906957 /nfs/dbraw/zinc/90/69/57/561906957.db2.gz NJAQASWTRGUAGC-ICSRJNTNSA-N -1 0 574.683 1.357 1 0 KDAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCN1CCCCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000028137586 561906978 /nfs/dbraw/zinc/90/69/78/561906978.db2.gz NJAQASWTRGUAGC-AZUAARDMSA-N -1 0 574.683 1.357 1 0 KDAFRM COc1ccc2c(c1OC)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc(OC)c(OC)c3C1)CC2 ZINC000028241748 561910450 /nfs/dbraw/zinc/91/04/50/561910450.db2.gz CKXVBMIQDVRHEY-UHFFFAOYSA-N -1 0 527.621 1.217 1 0 KDAFRM COc1ccc(OC)c2c1CCN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3c(OC)ccc(OC)c3C1)C2 ZINC000028242939 561910645 /nfs/dbraw/zinc/91/06/45/561910645.db2.gz DUTKDGGVUJBNBF-UHFFFAOYSA-N -1 0 527.621 1.217 1 0 KDAFRM COc1ccc2cc([C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)[O-])ccc2c1 ZINC000028252114 561911014 /nfs/dbraw/zinc/91/10/14/561911014.db2.gz ARPFQSHQDZUEJP-MWTRTKDXSA-N -1 0 507.543 1.702 1 0 KDAFRM COc1ccc2cc([C@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)[O-])ccc2c1 ZINC000028252121 561910995 /nfs/dbraw/zinc/91/09/95/561910995.db2.gz ARPFQSHQDZUEJP-HJPURHCSSA-N -1 0 507.543 1.702 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[n-]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028365159 561917530 /nfs/dbraw/zinc/91/75/30/561917530.db2.gz WTPASGXFZGYHCW-ZLWVDIRZSA-N -1 0 683.855 1.098 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[n-]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028365175 561917487 /nfs/dbraw/zinc/91/74/87/561917487.db2.gz WTPASGXFZGYHCW-ZNWVDRHXSA-N -1 0 683.855 1.098 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028456855 561923944 /nfs/dbraw/zinc/92/39/44/561923944.db2.gz DUWKOSCGSPLVIE-VKONIRKNSA-N -1 0 666.735 1.662 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCS(=O)(=O)[O-] ZINC000028457583 561924208 /nfs/dbraw/zinc/92/42/08/561924208.db2.gz HVDYATMLRZBZMT-IKXLULBCSA-N -1 0 709.867 1.033 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028457715 561924310 /nfs/dbraw/zinc/92/43/10/561924310.db2.gz DUWKOSCGSPLVIE-VTMRUAGOSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028457897 561924313 /nfs/dbraw/zinc/92/43/13/561924313.db2.gz DUWKOSCGSPLVIE-XHPANXIASA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028457945 561924300 /nfs/dbraw/zinc/92/43/00/561924300.db2.gz DUWKOSCGSPLVIE-JVVMDBNWSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028457948 561924306 /nfs/dbraw/zinc/92/43/06/561924306.db2.gz DUWKOSCGSPLVIE-UJOGNLFBSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028457951 561924243 /nfs/dbraw/zinc/92/42/43/561924243.db2.gz DUWKOSCGSPLVIE-BHSUFKTOSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028458179 561924417 /nfs/dbraw/zinc/92/44/17/561924417.db2.gz DUWKOSCGSPLVIE-YXOGWZJSSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028458652 561924492 /nfs/dbraw/zinc/92/44/92/561924492.db2.gz DUWKOSCGSPLVIE-ORYMTKCHSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028458698 561924473 /nfs/dbraw/zinc/92/44/73/561924473.db2.gz DUWKOSCGSPLVIE-OMRVPHBLSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028458704 561924486 /nfs/dbraw/zinc/92/44/86/561924486.db2.gz DUWKOSCGSPLVIE-QNRWOPMTSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000028458707 561924505 /nfs/dbraw/zinc/92/45/05/561924505.db2.gz DUWKOSCGSPLVIE-KQFVITFDSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028458754 561924497 /nfs/dbraw/zinc/92/44/97/561924497.db2.gz DUWKOSCGSPLVIE-ITGKQZKFSA-N -1 0 666.735 1.662 1 0 KDAFRM O=C([O-])CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000028460301 561924926 /nfs/dbraw/zinc/92/49/26/561924926.db2.gz DUWKOSCGSPLVIE-SYQUUIDJSA-N -1 0 666.735 1.662 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc[nH]n1 ZINC000028461209 561925260 /nfs/dbraw/zinc/92/52/60/561925260.db2.gz JGWXWXZMZFMIRD-JTSKRJEESA-N -1 0 513.576 1.798 1 0 KDAFRM Nc1cc2c(cc1N1CCN(c3ccccn3)CC1)n(N1CCN(c3ccccn3)CC1)cc(C(=O)[O-])c2=O ZINC000028461577 561925295 /nfs/dbraw/zinc/92/52/95/561925295.db2.gz IKCGFUNPARXQEN-UHFFFAOYSA-N -1 0 526.601 1.857 1 0 KDAFRM COC(=O)c1cc(OCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)no1 ZINC000028463088 561925614 /nfs/dbraw/zinc/92/56/14/561925614.db2.gz IOZXOLCYYXHFLZ-BVZFJXPGSA-N -1 0 555.540 1.742 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCc1nnn[n-]1 ZINC000028463917 561925904 /nfs/dbraw/zinc/92/59/04/561925904.db2.gz YYMWWVSGMAQHPJ-QMJGUQGKSA-N -1 0 733.822 1.146 1 0 KDAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nncn1C ZINC000028465641 561926192 /nfs/dbraw/zinc/92/61/92/561926192.db2.gz IOYMIXGWTDRTGO-MBSDFSHPSA-N -1 0 527.603 1.809 1 0 KDAFRM Cc1cn(CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccc(OCC(=O)[O-])cc2)C(=O)C[C@@H](CC(C)C)C(N)=O)c(=O)[nH]c1=O ZINC000028467136 561926250 /nfs/dbraw/zinc/92/62/50/561926250.db2.gz FMAYQRMLHZJHIH-FGUUHEIUSA-N -1 0 735.791 1.151 1 0 KDAFRM Cc1cc(COc2ccc([C@@]3(N4CCN(S(C)(=O)=O)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028468448 561926630 /nfs/dbraw/zinc/92/66/30/561926630.db2.gz HEICZDBUMBAABJ-UHFFFAOYSA-N -1 0 537.598 1.465 1 0 KDAFRM O=C1[N-]C(=O)C(c2ccc(Oc3ccc(I)cc3)cc2)(N2CCN(CCO)CC2)C(=O)N1 ZINC000028477704 561928677 /nfs/dbraw/zinc/92/86/77/561928677.db2.gz QZPPOPJGCFXELG-UHFFFAOYSA-N -1 0 550.353 1.255 1 0 KDAFRM O=C([O-])CN(CC(=O)NCCc1ccccc1)C(=O)CNC(=O)c1cccc(I)c1 ZINC000028524448 561930877 /nfs/dbraw/zinc/93/08/77/561930877.db2.gz ZZDDBEQHARXMDN-UHFFFAOYSA-N -1 0 523.327 1.293 1 0 KDAFRM C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)[O-])NC1=O ZINC000028524631 561930865 /nfs/dbraw/zinc/93/08/65/561930865.db2.gz HKWPLHZZKWJUKV-ARESOWRYSA-N -1 0 543.573 1.611 1 0 KDAFRM C[C@@H](O)[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)[O-])NC1=O ZINC000028524632 561930848 /nfs/dbraw/zinc/93/08/48/561930848.db2.gz HKWPLHZZKWJUKV-LJRRSDMTSA-N -1 0 543.573 1.611 1 0 KDAFRM C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028525716 561931560 /nfs/dbraw/zinc/93/15/60/561931560.db2.gz HXVKFAMHPUWPBU-XPTSAGLGSA-N -1 0 547.845 1.947 1 0 KDAFRM C[C@H](NC(=O)C(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028526355 561932002 /nfs/dbraw/zinc/93/20/02/561932002.db2.gz KFEQXFHUSAOYFS-HZMBPMFUSA-N -1 0 513.400 1.294 1 0 KDAFRM C[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028526506 561932055 /nfs/dbraw/zinc/93/20/55/561932055.db2.gz QBPUULPBJSFVJP-HZMBPMFUSA-N -1 0 519.448 1.104 1 0 KDAFRM C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028526660 561932208 /nfs/dbraw/zinc/93/22/08/561932208.db2.gz IYQGSYZQNLKUSS-XPTSAGLGSA-N -1 0 531.390 1.433 1 0 KDAFRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028527914 561932647 /nfs/dbraw/zinc/93/26/47/561932647.db2.gz JMCXRNPCJIAQDN-GTNSWQLSSA-N -1 0 553.465 1.783 1 0 KDAFRM CCC[C@@H](NC(=O)[C@H](CC1OCCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528091 561932769 /nfs/dbraw/zinc/93/27/69/561932769.db2.gz YBTIWYVRWNOJDE-UUHGVMMKSA-N -1 0 731.844 1.868 1 0 KDAFRM CCC[C@H](NC(=O)[C@H](CC1OCCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528092 561932764 /nfs/dbraw/zinc/93/27/64/561932764.db2.gz YBTIWYVRWNOJDE-ATACATFBSA-N -1 0 731.844 1.868 1 0 KDAFRM CCC[C@@H](NC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528285 561932901 /nfs/dbraw/zinc/93/29/01/561932901.db2.gz GVXMKPVUSCNMNM-AKPJXSIGSA-N -1 0 717.817 1.478 1 0 KDAFRM CCC[C@H](NC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528286 561932866 /nfs/dbraw/zinc/93/28/66/561932866.db2.gz GVXMKPVUSCNMNM-NSIYGSDQSA-N -1 0 717.817 1.478 1 0 KDAFRM CCCn1c2cc(-c3ccc(OCC(=O)c4c(=O)n(C)c(=O)n(C)c4NC(=O)[O-])cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000028566852 561936482 /nfs/dbraw/zinc/93/64/82/561936482.db2.gz APNRVHUJZHKTDY-UHFFFAOYSA-N -1 0 566.571 1.727 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC(=O)[O-] ZINC000028567643 561936784 /nfs/dbraw/zinc/93/67/84/561936784.db2.gz RHMKKGGJMOZLFP-JMDODURXSA-N -1 0 656.777 1.896 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC(=O)[O-] ZINC000028567644 561936813 /nfs/dbraw/zinc/93/68/13/561936813.db2.gz RHMKKGGJMOZLFP-NVGWLYTESA-N -1 0 656.777 1.896 1 0 KDAFRM CCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(CC(=O)CCc2ccc(O)cc2)c(O)c(C(=O)[O-])c1 ZINC000028650509 561945950 /nfs/dbraw/zinc/94/59/50/561945950.db2.gz HZXRJYJZHWLQDS-HPTKVVQYSA-N -1 0 576.595 1.850 1 0 KDAFRM COC(=O)N1C[C@H](OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(=O)[O-])C[C@H]1CNc1ccccn1 ZINC000028710139 561951013 /nfs/dbraw/zinc/95/10/13/561951013.db2.gz WKXPTLWKGRAHCK-HBMCJLEFSA-N -1 0 577.660 1.193 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C(=O)OCc2ccccc2)C1)NS(=O)(=O)c1ccccc1 ZINC000028710173 561950988 /nfs/dbraw/zinc/95/09/88/561950988.db2.gz QYOKHKZTOCBBQY-ARNLJNQMSA-N -1 0 611.677 1.838 1 0 KDAFRM Nc1nc2nc[nH]c2c(OCc2ccc(COC(=O)CC[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)[O-])cc2)n1 ZINC000028712096 561952684 /nfs/dbraw/zinc/95/26/84/561952684.db2.gz MKXNPHQCAXAKFP-NRFANRHFSA-N -1 0 694.669 1.442 1 0 KDAFRM NN1C(=S)N=NC1CSc1nnc(Cc2csc(NCCC(=O)[O-])n2)n1NC(=O)c1ccccc1 ZINC000028712170 561952796 /nfs/dbraw/zinc/95/27/96/561952796.db2.gz QFOZCUBZLKKXMH-UHFFFAOYSA-N -1 0 532.637 1.482 1 0 KDAFRM Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCCC(=O)[O-])c1 ZINC000028755722 561955705 /nfs/dbraw/zinc/95/57/05/561955705.db2.gz FARGYWBCNYNMBW-FQEVSTJZSA-N -1 0 555.538 1.324 1 0 KDAFRM Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCCC(=O)[O-])c1 ZINC000028755724 561955698 /nfs/dbraw/zinc/95/56/98/561955698.db2.gz FARGYWBCNYNMBW-HXUWFJFHSA-N -1 0 555.538 1.324 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000028762163 561958441 /nfs/dbraw/zinc/95/84/41/561958441.db2.gz VAAIPUDWNISVQB-LJQANCHMSA-N -1 0 529.561 1.590 1 0 KDAFRM Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000028762801 561958610 /nfs/dbraw/zinc/95/86/10/561958610.db2.gz NULPOTRBARNPPW-FQEVSTJZSA-N -1 0 557.571 1.140 1 0 KDAFRM Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000028762803 561958550 /nfs/dbraw/zinc/95/85/50/561958550.db2.gz NULPOTRBARNPPW-HXUWFJFHSA-N -1 0 557.571 1.140 1 0 KDAFRM Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)cc4)C(=O)[O-])cc3)cnc2n1 ZINC000028763300 561958688 /nfs/dbraw/zinc/95/86/88/561958688.db2.gz XVKWCKAUCRQXJE-FQEVSTJZSA-N -1 0 592.016 1.794 1 0 KDAFRM Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@H](CCCNC(=O)c4ccc(Cl)cc4)C(=O)[O-])cc3)cnc2n1 ZINC000028763301 561958704 /nfs/dbraw/zinc/95/87/04/561958704.db2.gz XVKWCKAUCRQXJE-HXUWFJFHSA-N -1 0 592.016 1.794 1 0 KDAFRM CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000028770542 561961256 /nfs/dbraw/zinc/96/12/56/561961256.db2.gz VSOSWTSSQXUBFF-SWMXPCKBSA-N -1 0 540.702 1.784 1 0 KDAFRM CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000028770544 561961257 /nfs/dbraw/zinc/96/12/57/561961257.db2.gz VSOSWTSSQXUBFF-FYTJFPQHSA-N -1 0 540.702 1.784 1 0 KDAFRM CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000028771035 561961367 /nfs/dbraw/zinc/96/13/67/561961367.db2.gz VWYRIXJWYJPXKZ-OJMNFPMESA-N -1 0 542.718 1.575 1 0 KDAFRM CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000028771037 561961369 /nfs/dbraw/zinc/96/13/69/561961369.db2.gz VWYRIXJWYJPXKZ-JHLACRBESA-N -1 0 542.718 1.575 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1 ZINC000028771069 561961386 /nfs/dbraw/zinc/96/13/86/561961386.db2.gz USYHJFFPGOCQTN-IBGZPJMESA-N -1 0 537.529 1.827 1 0 KDAFRM Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)[O-])ccc3N(Cc3cncn3C)C2)c1 ZINC000028816119 561963905 /nfs/dbraw/zinc/96/39/05/561963905.db2.gz WMPGSXKKOMSWAS-IBGZPJMESA-N -1 0 543.650 1.389 1 0 KDAFRM Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)[O-])ccc3N(Cc3cncn3C)C2)c1 ZINC000028816120 561963945 /nfs/dbraw/zinc/96/39/45/561963945.db2.gz WMPGSXKKOMSWAS-LJQANCHMSA-N -1 0 543.650 1.389 1 0 KDAFRM NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)[O-])S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000028819184 561965596 /nfs/dbraw/zinc/96/55/96/561965596.db2.gz XALJTPOAALNLJP-UHFFFAOYSA-N -1 0 547.611 1.561 1 0 KDAFRM NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)[O-])S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000028819186 561965616 /nfs/dbraw/zinc/96/56/16/561965616.db2.gz YTJNSUHDNZWJPI-UHFFFAOYSA-N -1 0 531.612 1.435 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028820170 561966045 /nfs/dbraw/zinc/96/60/45/561966045.db2.gz KVEFQOBAQZYEQO-WZFFGLSISA-N -1 0 687.816 1.825 1 0 KDAFRM O=C([O-])c1ccc(Cn2c(=O)c3ccccc3n(Cc3nc4ccccc4n3CCn3cnnn3)c2=O)cc1 ZINC000028824532 561969774 /nfs/dbraw/zinc/96/97/74/561969774.db2.gz AUHMZRYWDNPWPE-UHFFFAOYSA-N -1 0 522.525 1.994 1 0 KDAFRM COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SCN(CCS(=O)(=O)[O-])C3=O)C2=O)cc1 ZINC000028863701 561972503 /nfs/dbraw/zinc/97/25/03/561972503.db2.gz CZKZSNCARPJNMW-VXPUYCOJSA-N -1 0 503.558 1.812 1 0 KDAFRM CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000028874562 561975230 /nfs/dbraw/zinc/97/52/30/561975230.db2.gz PXHGDXNYRKGHFZ-GUDZGKABSA-N -1 0 578.618 1.457 1 0 KDAFRM CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1-c1ccccc1 ZINC000028874567 561975233 /nfs/dbraw/zinc/97/52/33/561975233.db2.gz RGFQKMBODRMWJS-GUDZGKABSA-N -1 0 578.618 1.457 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)c(Cl)c2)O[C@@](OCc2ccccc2)(C(=O)[O-])C[C@@H]1O ZINC000028874598 561975246 /nfs/dbraw/zinc/97/52/46/561975246.db2.gz IRGCFNIFLGZMOH-QYCMOUPQSA-N -1 0 571.410 1.097 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2Cl)O[C@@](OCc2ccccc2)(C(=O)[O-])C[C@@H]1O ZINC000028874609 561975192 /nfs/dbraw/zinc/97/51/92/561975192.db2.gz ZZQGVQSLHXNWGA-QYCMOUPQSA-N -1 0 571.410 1.097 1 0 KDAFRM CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(Nc2nnn[n-]2)c1=O ZINC000028880700 561976736 /nfs/dbraw/zinc/97/67/36/561976736.db2.gz UUEMWRIOZLIPHU-DLBZAZTESA-N -1 0 547.661 1.789 1 0 KDAFRM CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(Nc2nnn[n-]2)c1=O ZINC000028880705 561976742 /nfs/dbraw/zinc/97/67/42/561976742.db2.gz UUEMWRIOZLIPHU-IRXDYDNUSA-N -1 0 547.661 1.789 1 0 KDAFRM CC(=O)N1CCN([C@@]2(CNC(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000028892659 561978408 /nfs/dbraw/zinc/97/84/08/561978408.db2.gz QNXKVQKPSNZLGB-UHFFFAOYSA-N -1 0 558.595 1.325 1 0 KDAFRM Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(S(C)(=O)=O)C[C@]34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1 ZINC000028892749 561978488 /nfs/dbraw/zinc/97/84/88/561978488.db2.gz IANBHIHXRLTEEH-OAQYLSRUSA-N -1 0 551.581 1.689 1 0 KDAFRM Cc1cc(COc2ccc(C(=O)N[C@H]3CN(S(C)(=O)=O)C[C@@]34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1 ZINC000028892755 561978473 /nfs/dbraw/zinc/97/84/73/561978473.db2.gz IANBHIHXRLTEEH-NRFANRHFSA-N -1 0 551.581 1.689 1 0 KDAFRM O=C([O-])COc1ccc(Cl)cc1C[C@@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894340 561978739 /nfs/dbraw/zinc/97/87/39/561978739.db2.gz MZKGVXPHEXNJSG-CYBMUJFWSA-N -1 0 501.344 1.963 1 0 in-vivo KDAFRM O=C([O-])COc1ccc(Cl)cc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894343 561978740 /nfs/dbraw/zinc/97/87/40/561978740.db2.gz MZKGVXPHEXNJSG-ZDUSSCGKSA-N -1 0 501.344 1.963 1 0 in-vivo KDAFRM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(CCC(=O)[O-])CC3)ccc1OCC)[nH]c2=O ZINC000028895604 561978938 /nfs/dbraw/zinc/97/89/38/561978938.db2.gz OKPMUKKWLRACLK-UHFFFAOYSA-N -1 0 532.623 1.456 1 0 KDAFRM CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1[O-] ZINC000028895793 561979033 /nfs/dbraw/zinc/97/90/33/561979033.db2.gz YWFVTSHPZBFEBT-UHFFFAOYSA-N -1 0 537.595 1.585 1 0 KDAFRM CNS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1[O-] ZINC000028895809 561979151 /nfs/dbraw/zinc/97/91/51/561979151.db2.gz MDXLFERPCWCEQE-UHFFFAOYSA-N -1 0 523.568 1.243 1 0 KDAFRM C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)[N-]S(C)(=O)=O)cc1 ZINC000028898313 561979518 /nfs/dbraw/zinc/97/95/18/561979518.db2.gz FCTQIZMJCVLLNV-NSHDSACASA-N -1 0 531.055 1.021 1 0 KDAFRM NC(=O)[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028977320 561987034 /nfs/dbraw/zinc/98/70/34/561987034.db2.gz APMRPAOVCVHMBX-CVEARBPZSA-N -1 0 505.496 1.811 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028977325 561987015 /nfs/dbraw/zinc/98/70/15/561987015.db2.gz APMRPAOVCVHMBX-HOTGVXAUSA-N -1 0 505.496 1.811 1 0 KDAFRM NC(=O)[C@@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028977330 561987029 /nfs/dbraw/zinc/98/70/29/561987029.db2.gz APMRPAOVCVHMBX-HZPDHXFCSA-N -1 0 505.496 1.811 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028977336 561987024 /nfs/dbraw/zinc/98/70/24/561987024.db2.gz APMRPAOVCVHMBX-JKSUJKDBSA-N -1 0 505.496 1.811 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(N2CCN(c3cnccn3)CC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000028978711 561987977 /nfs/dbraw/zinc/98/79/77/561987977.db2.gz ANNOKGXWULWTGK-DQEYMECFSA-N -1 0 564.668 1.768 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000028978724 561987992 /nfs/dbraw/zinc/98/79/92/561987992.db2.gz XUKMLGOSDAVWPM-DQEYMECFSA-N -1 0 554.669 1.710 1 0 KDAFRM CCNC(=O)N1CCN(c2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(=O)[O-])cc2)CC1 ZINC000028978736 561987994 /nfs/dbraw/zinc/98/79/94/561987994.db2.gz FKXHSLYDCOCXSG-ZEQRLZLVSA-N -1 0 557.673 1.503 1 0 KDAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CC3)nc(-c3cccs3)c1=O)N2 ZINC000029038360 561988788 /nfs/dbraw/zinc/98/87/88/561988788.db2.gz RIUJAZICAPKBQH-UHFFFAOYSA-N -1 0 515.573 1.903 1 0 KDAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3CCC3)nc(-c3cccs3)c1=O)N2 ZINC000029038396 561988795 /nfs/dbraw/zinc/98/87/95/561988795.db2.gz LDQPEHIXOZRMET-UHFFFAOYSA-N -1 0 515.573 1.903 1 0 KDAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CC3)nc(-c3ccsc3)c1=O)N2 ZINC000029038416 561989021 /nfs/dbraw/zinc/98/90/21/561989021.db2.gz CBOYPRAYCHGMAU-UHFFFAOYSA-N -1 0 515.573 1.903 1 0 KDAFRM CC(C)CCn1nc(-c2cncs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038443 561989007 /nfs/dbraw/zinc/98/90/07/561989007.db2.gz BHOZAPTZGMCFHG-UHFFFAOYSA-N -1 0 518.577 1.544 1 0 in-vitro KDAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CC3)nc(-c3cncs3)c1=O)N2 ZINC000029038445 561989016 /nfs/dbraw/zinc/98/90/16/561989016.db2.gz FPKLMOBVIOBRSE-UHFFFAOYSA-N -1 0 516.561 1.298 1 0 KDAFRM CC(C)CCn1nc(-c2nccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038447 561988978 /nfs/dbraw/zinc/98/89/78/561988978.db2.gz GNIVQIZRIRNBHW-UHFFFAOYSA-N -1 0 518.577 1.544 1 0 KDAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3CCC3)nc(-c3nccs3)c1=O)N2 ZINC000029038449 561989001 /nfs/dbraw/zinc/98/90/01/561989001.db2.gz NSAXUGOSWKBZIE-UHFFFAOYSA-N -1 0 516.561 1.298 1 0 KDAFRM Cc1ccnc(CNC(=O)Cc2c(C)ccn([N-]S(=O)(=O)c3ccccc3S(C)(=O)=O)c2=O)c1F ZINC000029040418 561990481 /nfs/dbraw/zinc/99/04/81/561990481.db2.gz SLDWMBUXVXPDJD-UHFFFAOYSA-N -1 0 522.580 1.194 1 0 KDAFRM CC(C)CCn1nc(CC2CC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029042947 561991826 /nfs/dbraw/zinc/99/18/26/561991826.db2.gz DKHIVVANSNYJCZ-UHFFFAOYSA-N -1 0 509.610 1.880 1 0 KDAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc3N2)c1[O-] ZINC000029046182 561992860 /nfs/dbraw/zinc/99/28/60/561992860.db2.gz NGTHFTIYABHOAF-UHFFFAOYSA-N -1 0 523.618 1.932 1 0 KDAFRM COCCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029047153 561993204 /nfs/dbraw/zinc/99/32/04/561993204.db2.gz UTAUTKBZZAEGES-UHFFFAOYSA-N -1 0 525.590 1.256 1 0 KDAFRM CC[C@@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)[P@@](=O)([O-])O ZINC000029048065 561993503 /nfs/dbraw/zinc/99/35/03/561993503.db2.gz ZFRNBYWFOLDQKG-RVMZHNTDSA-N -1 0 535.534 1.539 1 0 KDAFRM CC[C@@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)[P@@](=O)([O-])O ZINC000029048070 561993416 /nfs/dbraw/zinc/99/34/16/561993416.db2.gz ZFRNBYWFOLDQKG-IUBJVUOCSA-N -1 0 535.534 1.539 1 0 KDAFRM CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC(=O)[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124922 561997135 /nfs/dbraw/zinc/99/71/35/561997135.db2.gz CXOLOFLJPRWTKH-BFCYAOISSA-N -1 0 510.507 1.790 1 0 KDAFRM CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC(=O)[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]12 ZINC000029124978 561997231 /nfs/dbraw/zinc/99/72/31/561997231.db2.gz KPIGRRWPSZSOFW-BFCYAOISSA-N -1 0 558.573 1.188 1 0 KDAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](/C=C/C(=O)[O-])Cc1ccc(O)cc1 ZINC000029125495 561997595 /nfs/dbraw/zinc/99/75/95/561997595.db2.gz HFRONQWCUSJWTI-YIIGVSCRSA-N -1 0 541.601 1.673 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)c1nnc(-c2ccccc2)o1)C3 ZINC000029126029 561998299 /nfs/dbraw/zinc/99/82/99/561998299.db2.gz JDSAQRQEFBZZNN-BTUHLANLSA-N -1 0 644.685 1.819 1 0 KDAFRM CCOC(=O)C1=C(C)N(CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000029127953 562000510 /nfs/dbraw/zinc/00/05/10/562000510.db2.gz SYTXNURLOKFZLL-RUZDIDTESA-N -1 0 638.516 1.736 1 0 KDAFRM CCOC(=O)C1=C(C)N(CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000029127954 562000489 /nfs/dbraw/zinc/00/04/89/562000489.db2.gz SYTXNURLOKFZLL-VWLOTQADSA-N -1 0 638.516 1.736 1 0 KDAFRM COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)C(=O)[O-])cc1 ZINC000029128033 562000458 /nfs/dbraw/zinc/00/04/58/562000458.db2.gz CIENDPDTDYSFMM-SFHVURJKSA-N -1 0 519.963 1.939 1 0 KDAFRM Cc1nc(NC(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)sc1C(=O)[O-] ZINC000029128242 562000735 /nfs/dbraw/zinc/00/07/35/562000735.db2.gz OIGFHVBOVIECLG-CQHWMIAWSA-N -1 0 676.793 1.040 1 0 KDAFRM CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cccc(NC(=O)OCc4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4)c2cc1C3 ZINC000029134453 562004045 /nfs/dbraw/zinc/00/40/45/562004045.db2.gz PMAYIZIIHIVPPX-JBYBKPQOSA-N -1 0 689.630 1.099 1 0 KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CSCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000029208575 562005537 /nfs/dbraw/zinc/00/55/37/562005537.db2.gz JIZFTRGOFNRYSA-OALUTQOASA-N -1 0 501.561 1.147 1 0 in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@H](CSCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000029208579 562005533 /nfs/dbraw/zinc/00/55/33/562005533.db2.gz JIZFTRGOFNRYSA-RBUKOAKNSA-N -1 0 501.561 1.147 1 0 KDAFRM CC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)[O-] ZINC000029223275 562007563 /nfs/dbraw/zinc/00/75/63/562007563.db2.gz KCZSRYGAPXODHR-NUNVBAQMSA-N -1 0 610.712 1.538 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)cc3)C(=O)[O-])c(=O)n21 ZINC000029225388 562007992 /nfs/dbraw/zinc/00/79/92/562007992.db2.gz MXOTYVHJEKTERG-ROUUACIJSA-N -1 0 530.994 1.596 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)cc3)C(=O)[O-])c(=O)n21 ZINC000029225395 562007970 /nfs/dbraw/zinc/00/79/70/562007970.db2.gz MXOTYVHJEKTERG-MSOLQXFVSA-N -1 0 530.994 1.596 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)cc3)C(=O)[O-])c(=O)n21 ZINC000029225401 562007982 /nfs/dbraw/zinc/00/79/82/562007982.db2.gz MXOTYVHJEKTERG-ZWKOTPCHSA-N -1 0 530.994 1.596 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)cc3)C(=O)[O-])c(=O)n21 ZINC000029225408 562008089 /nfs/dbraw/zinc/00/80/89/562008089.db2.gz MXOTYVHJEKTERG-QZTJIDSGSA-N -1 0 530.994 1.596 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Br)cc3)C(=O)[O-])c(=O)n21 ZINC000029225607 562008126 /nfs/dbraw/zinc/00/81/26/562008126.db2.gz ZUJPESMYXBEGLQ-ROUUACIJSA-N -1 0 575.445 1.705 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Br)cc3)C(=O)[O-])c(=O)n21 ZINC000029225612 562008162 /nfs/dbraw/zinc/00/81/62/562008162.db2.gz ZUJPESMYXBEGLQ-MSOLQXFVSA-N -1 0 575.445 1.705 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Br)cc3)C(=O)[O-])c(=O)n21 ZINC000029225618 562008085 /nfs/dbraw/zinc/00/80/85/562008085.db2.gz ZUJPESMYXBEGLQ-ZWKOTPCHSA-N -1 0 575.445 1.705 1 0 KDAFRM Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Br)cc3)C(=O)[O-])c(=O)n21 ZINC000029225624 562008149 /nfs/dbraw/zinc/00/81/49/562008149.db2.gz ZUJPESMYXBEGLQ-QZTJIDSGSA-N -1 0 575.445 1.705 1 0 KDAFRM CN(C(=O)[C@H](CC(=O)[O-])NC(=O)CCCCOc1ccc(C(N)=[NH2+])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000029227621 562008645 /nfs/dbraw/zinc/00/86/45/562008645.db2.gz OWMRQOGTQWJFKN-SFTDATJTSA-N -1 0 528.562 1.339 1 0 KDAFRM CCCCNC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000029229980 562009093 /nfs/dbraw/zinc/00/90/93/562009093.db2.gz IXYGGLUCHPULKZ-QGZVFWFLSA-N -1 0 509.571 1.100 1 0 KDAFRM CCCCNC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000029229987 562009101 /nfs/dbraw/zinc/00/91/01/562009101.db2.gz IXYGGLUCHPULKZ-KRWDZBQOSA-N -1 0 509.571 1.100 1 0 KDAFRM NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)c(Cl)c1Cl ZINC000029230516 562009311 /nfs/dbraw/zinc/00/93/11/562009311.db2.gz HQJNWEMVURWPIB-UHFFFAOYSA-N -1 0 662.530 1.736 1 0 KDAFRM CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)CC2)ccc1O ZINC000029232352 562009360 /nfs/dbraw/zinc/00/93/60/562009360.db2.gz AZINCISUKKFOHZ-REWPJTCUSA-N -1 0 578.644 1.104 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000029238018 562009900 /nfs/dbraw/zinc/00/99/00/562009900.db2.gz MXDDHQREZRYBOV-FQEVSTJZSA-N -1 0 543.588 1.500 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C)cc1 ZINC000029238032 562009883 /nfs/dbraw/zinc/00/98/83/562009883.db2.gz HTMMDBDGHQUHPW-INIZCTEOSA-N -1 0 510.555 1.526 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC(C)(C)C)cc1 ZINC000029238036 562009923 /nfs/dbraw/zinc/00/99/23/562009923.db2.gz HTMMDBDGHQUHPW-MRXNPFEDSA-N -1 0 510.555 1.526 1 0 KDAFRM NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1Cl ZINC000029242945 562010344 /nfs/dbraw/zinc/01/03/44/562010344.db2.gz FFKLAKSWWBJFAD-UHFFFAOYSA-N -1 0 628.085 1.082 1 0 KDAFRM NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)c(F)c1 ZINC000029244364 562010499 /nfs/dbraw/zinc/01/04/99/562010499.db2.gz QTDBZSVDFUFALO-UHFFFAOYSA-N -1 0 532.550 1.921 1 0 KDAFRM NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1 ZINC000029246604 562010767 /nfs/dbraw/zinc/01/07/67/562010767.db2.gz XYFWTHGIDPQNDX-UHFFFAOYSA-N -1 0 528.587 1.459 1 0 KDAFRM NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1 ZINC000029246941 562010896 /nfs/dbraw/zinc/01/08/96/562010896.db2.gz IIFORNBPWMQEGX-UHFFFAOYSA-N -1 0 542.614 1.502 1 0 KDAFRM NS(=O)(=O)c1ccc(COC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1 ZINC000029248621 562011020 /nfs/dbraw/zinc/01/10/20/562011020.db2.gz MAJMVYSDIAWAHK-UHFFFAOYSA-N -1 0 529.571 1.886 1 0 KDAFRM NS(=O)(=O)c1ccc(CCOC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)cc1 ZINC000029248868 562011002 /nfs/dbraw/zinc/01/10/02/562011002.db2.gz XTZXTLXIWFMTKQ-UHFFFAOYSA-N -1 0 543.598 1.929 1 0 KDAFRM CCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029250926 562011256 /nfs/dbraw/zinc/01/12/56/562011256.db2.gz KPZOPIJZBRPMTK-WKAQUBQDSA-N -1 0 620.707 1.062 1 0 KDAFRM CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029250931 562011259 /nfs/dbraw/zinc/01/12/59/562011259.db2.gz KPZOPIJZBRPMTK-FWEHEUNISA-N -1 0 620.707 1.062 1 0 KDAFRM CCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029250935 562011234 /nfs/dbraw/zinc/01/12/34/562011234.db2.gz HCXMHVNDWSXYKX-BNZCWLHNSA-N -1 0 664.785 1.110 1 0 KDAFRM CCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029250955 562011243 /nfs/dbraw/zinc/01/12/43/562011243.db2.gz HCXMHVNDWSXYKX-HSGWZQNQSA-N -1 0 664.785 1.110 1 0 KDAFRM CCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029251791 562011239 /nfs/dbraw/zinc/01/12/39/562011239.db2.gz HCXMHVNDWSXYKX-AFBVCZJXSA-N -1 0 664.785 1.110 1 0 KDAFRM CCCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029253068 562011401 /nfs/dbraw/zinc/01/14/01/562011401.db2.gz CJJASUCBPBCZIK-LOLMJFKOSA-N -1 0 678.812 1.500 1 0 KDAFRM CCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029254611 562011517 /nfs/dbraw/zinc/01/15/17/562011517.db2.gz HCXMHVNDWSXYKX-RRUDZPKISA-N -1 0 664.785 1.110 1 0 KDAFRM CCCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029308085 562011817 /nfs/dbraw/zinc/01/18/17/562011817.db2.gz CJJASUCBPBCZIK-UFEOFEBPSA-N -1 0 678.812 1.500 1 0 KDAFRM CCCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029308093 562011777 /nfs/dbraw/zinc/01/17/77/562011777.db2.gz CJJASUCBPBCZIK-RKBVRRORSA-N -1 0 678.812 1.500 1 0 KDAFRM CCCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029309437 562011947 /nfs/dbraw/zinc/01/19/47/562011947.db2.gz CJJASUCBPBCZIK-KGEMVMTLSA-N -1 0 678.812 1.500 1 0 KDAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029311362 562012065 /nfs/dbraw/zinc/01/20/65/562012065.db2.gz MVCICMZJXNZUCN-LJWNLINESA-N -1 0 634.734 1.261 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000029321433 562013048 /nfs/dbraw/zinc/01/30/48/562013048.db2.gz JKKZAZQQAOJXQC-WZFFGLSISA-N -1 0 655.749 1.276 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000029321438 562013104 /nfs/dbraw/zinc/01/31/04/562013104.db2.gz FMCSFSQPQPSYTD-WZFFGLSISA-N -1 0 655.749 1.276 1 0 KDAFRM C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N(CC(=O)[O-])C1CCC2(CC1)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)N2 ZINC000029339741 562015058 /nfs/dbraw/zinc/01/50/58/562015058.db2.gz JSKHQUKDRMSLBZ-IRSAMUBJSA-N -1 0 672.182 1.307 1 0 KDAFRM CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NCc1ccc(F)cc1)[C@@H](C)O ZINC000029340036 562015070 /nfs/dbraw/zinc/01/50/70/562015070.db2.gz QDLFQTHITYAXQS-DKSDRHEWSA-N -1 0 609.655 1.660 1 0 KDAFRM COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3cn2)[C@@H](C)O)cc1 ZINC000029340312 562015148 /nfs/dbraw/zinc/01/51/48/562015148.db2.gz BYMCHFJPAQPWFW-LLOSZVIFSA-N -1 0 621.691 1.529 1 0 KDAFRM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)[O-])[C@H](CC(C)C)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 ZINC000029342274 562015456 /nfs/dbraw/zinc/01/54/56/562015456.db2.gz MSUWHIIHRUAKTF-ULMNMLKLSA-N -1 0 702.252 1.888 1 0 KDAFRM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)[O-])[C@H](CC(C)C)[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 ZINC000029342277 562015535 /nfs/dbraw/zinc/01/55/35/562015535.db2.gz MSUWHIIHRUAKTF-GABSKDJNSA-N -1 0 702.252 1.888 1 0 KDAFRM CC(C)C[C@H]([NH2+][C@@H](CCNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029342449 562015578 /nfs/dbraw/zinc/01/55/78/562015578.db2.gz WGOSJPPRWVTLNC-HJOGWXRNSA-N -1 0 570.643 1.689 1 0 KDAFRM CC(C)C[C@H]([NH2+][C@H](CCNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029342455 562015589 /nfs/dbraw/zinc/01/55/89/562015589.db2.gz WGOSJPPRWVTLNC-SGNDLWITSA-N -1 0 570.643 1.689 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CN1CCC=C(C(=O)[O-])C1 ZINC000029345192 562016062 /nfs/dbraw/zinc/01/60/62/562016062.db2.gz UBBYOXKFQBTIKY-LSQMVHIFSA-N -1 0 574.675 1.231 1 0 KDAFRM CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)[C@@H](C)O ZINC000029345958 562016242 /nfs/dbraw/zinc/01/62/42/562016242.db2.gz YHWBTOQVIBYTOD-FXWWJZDOSA-N -1 0 624.647 1.448 1 0 KDAFRM CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000029346506 562016340 /nfs/dbraw/zinc/01/63/40/562016340.db2.gz PXSQBRBIFHOIGT-FHWLQOOXSA-N -1 0 549.650 1.286 1 0 KDAFRM COc1ccc(CCNC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3cn2)[C@@H](C)O)cc1 ZINC000029346778 562016360 /nfs/dbraw/zinc/01/63/60/562016360.db2.gz IBJJJXMLCVYEFN-JXQRXRPFSA-N -1 0 635.718 1.572 1 0 KDAFRM CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NCc1ccc(F)c(F)c1)[C@@H](C)O ZINC000029346781 562016338 /nfs/dbraw/zinc/01/63/38/562016338.db2.gz PRXDDWQRXWMXDX-FEYKZCEFSA-N -1 0 616.618 1.997 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CN1CCC=C(C(=O)[O-])C1 ZINC000029348021 562016670 /nfs/dbraw/zinc/01/66/70/562016670.db2.gz YXTDTCADBDCZOX-KCHLEUMXSA-N -1 0 622.719 1.818 1 0 KDAFRM C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N(CCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)CC(=O)[O-] ZINC000029388448 562016725 /nfs/dbraw/zinc/01/67/25/562016725.db2.gz KXKWYZRZBAFHMH-JXFKEZNVSA-N -1 0 583.063 1.085 1 0 KDAFRM CCOC(=O)c1c([O-])c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)NOC)[C@H]3O)c(C)c2oc1=O ZINC000029393944 562018058 /nfs/dbraw/zinc/01/80/58/562018058.db2.gz NWLHYHZWJRDVBL-LNNXQNCSSA-N -1 0 511.480 1.530 1 0 KDAFRM CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3ccn(C)n3)CSC2(C)C)C(=O)[O-])cc1 ZINC000029395074 562018294 /nfs/dbraw/zinc/01/82/94/562018294.db2.gz DJDYKQGJZFNMQS-FUHWJXTLSA-N -1 0 539.636 1.135 1 0 KDAFRM CCONC(=O)O[C@H]1[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)OCC)c(=O)oc3c2C)OC(C)(C)[C@@H]1OC ZINC000029395917 562018464 /nfs/dbraw/zinc/01/84/64/562018464.db2.gz XTRSWNHTCFREMB-ITBLURSFSA-N -1 0 525.507 1.920 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029396769 562018794 /nfs/dbraw/zinc/01/87/94/562018794.db2.gz SFOPNYUEWPEABN-DQMQTHDISA-N -1 0 596.681 1.940 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029401476 562019728 /nfs/dbraw/zinc/01/97/28/562019728.db2.gz MWEYTVIFYKBJLT-GXGSBUKKSA-N -1 0 548.637 1.354 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029401492 562019757 /nfs/dbraw/zinc/01/97/57/562019757.db2.gz IGXYLFDCIDBGKM-BTUHLANLSA-N -1 0 612.680 1.646 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000029401522 562019732 /nfs/dbraw/zinc/01/97/32/562019732.db2.gz IRQOBZRETHTCCY-JGSJVDHVSA-N -1 0 671.748 1.018 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029401818 562019885 /nfs/dbraw/zinc/01/98/85/562019885.db2.gz NJIPEWZPMMYJQQ-LJZWMIMPSA-N -1 0 534.610 1.108 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029403298 562020189 /nfs/dbraw/zinc/02/01/89/562020189.db2.gz OGNNSGGTULXEBC-BTAJCFKJSA-N -1 0 546.621 1.204 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029405243 562020607 /nfs/dbraw/zinc/02/06/07/562020607.db2.gz FXWOXHIWWBUZNO-QRDGOAKLSA-N -1 0 562.664 1.744 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029405854 562020554 /nfs/dbraw/zinc/02/05/54/562020554.db2.gz FHPAAJGESVVAEV-BTAJCFKJSA-N -1 0 580.704 1.451 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029405866 562020595 /nfs/dbraw/zinc/02/05/95/562020595.db2.gz FXWOXHIWWBUZNO-BQSWGBOTSA-N -1 0 562.664 1.744 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029405923 562020666 /nfs/dbraw/zinc/02/06/66/562020666.db2.gz XGJLGMNSCBGXON-BCSOYYNPSA-N -1 0 534.610 1.109 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000029405992 562020669 /nfs/dbraw/zinc/02/06/69/562020669.db2.gz JVUJJVIMTYWCBT-SFHVURJKSA-N -1 0 573.570 1.551 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000029405995 562020648 /nfs/dbraw/zinc/02/06/48/562020648.db2.gz JVUJJVIMTYWCBT-GOSISDBHSA-N -1 0 573.570 1.551 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc(O)ccc1O)[C@@H](C)CC)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029407183 562020940 /nfs/dbraw/zinc/02/09/40/562020940.db2.gz YSKOXDYPOQMGBV-ONSTXCHFSA-N -1 0 562.664 1.744 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000029407637 562020891 /nfs/dbraw/zinc/02/08/91/562020891.db2.gz ZHZVICQQQSKWAC-QBVRBKIRSA-N -1 0 562.664 1.889 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)Nc4ccc5c(c4)OCO5)C(=O)[O-])cc3)cnc2n1 ZINC000029411170 562021679 /nfs/dbraw/zinc/02/16/79/562021679.db2.gz HVZXLOSEEOVRQC-KRWDZBQOSA-N -1 0 559.543 1.527 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)Nc4ccc5c(c4)OCO5)C(=O)[O-])cc3)cnc2n1 ZINC000029411173 562021703 /nfs/dbraw/zinc/02/17/03/562021703.db2.gz HVZXLOSEEOVRQC-QGZVFWFLSA-N -1 0 559.543 1.527 1 0 KDAFRM CCOc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3ccc(C(=O)[O-])cc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000029411484 562021773 /nfs/dbraw/zinc/02/17/73/562021773.db2.gz VUEVZBHUKRORBJ-IAPPQJPRSA-N -1 0 624.632 1.368 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000029412285 562022054 /nfs/dbraw/zinc/02/20/54/562022054.db2.gz FCPCBRYTQPUXKA-IBGZPJMESA-N -1 0 529.561 1.476 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)NCc4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000029412288 562022114 /nfs/dbraw/zinc/02/21/14/562022114.db2.gz FCPCBRYTQPUXKA-LJQANCHMSA-N -1 0 529.561 1.476 1 0 KDAFRM NC(=[NH2+])c1ccc(CC(=O)N[C@H]2CCN([C@@H](CC(=O)[O-])C(=O)N[C@@H](CC34CC5CC(CC(C5)C3)C4)C(=O)[O-])C2=O)cc1 ZINC000029412798 562022131 /nfs/dbraw/zinc/02/21/31/562022131.db2.gz LFYAXIXLMQDEKZ-IWDGCWKTSA-N -1 0 581.670 1.249 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)Nc4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000029413485 562022309 /nfs/dbraw/zinc/02/23/09/562022309.db2.gz XOSBKXWUQHSWSX-SFHVURJKSA-N -1 0 515.534 1.798 1 0 KDAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)Nc4ccccc4)C(=O)[O-])cc3)cnc2n1 ZINC000029413488 562022269 /nfs/dbraw/zinc/02/22/69/562022269.db2.gz XOSBKXWUQHSWSX-GOSISDBHSA-N -1 0 515.534 1.798 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCCC(=O)[O-])C(C)C ZINC000029480542 562027277 /nfs/dbraw/zinc/02/72/77/562027277.db2.gz OUPJWNCUIYHOJX-SHGLSTRNSA-N -1 0 675.890 1.787 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCCC(=O)[O-])C(C)C ZINC000029480545 562027265 /nfs/dbraw/zinc/02/72/65/562027265.db2.gz OUPJWNCUIYHOJX-NMTPKXJVSA-N -1 0 675.890 1.787 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCO[C@@H]3CNC(=O)OCOC(=O)C(C)(C)C)[C@H](C)[C@@H]12 ZINC000029480674 562027267 /nfs/dbraw/zinc/02/72/67/562027267.db2.gz BRNAPHDYOXMDNZ-OJVARPOJSA-N -1 0 500.570 1.304 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCO[C@@H]3CNC(=O)OCOC(=O)C(C)(C)C)[C@H](C)[C@H]12 ZINC000029480677 562027271 /nfs/dbraw/zinc/02/72/71/562027271.db2.gz BRNAPHDYOXMDNZ-BXLXJSPXSA-N -1 0 500.570 1.304 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCO[C@@H]3CNC(=O)OCOC(=O)c3ccccc3)[C@H](C)[C@@H]12 ZINC000029481415 562027378 /nfs/dbraw/zinc/02/73/78/562027378.db2.gz HQRBTLHFEWMDFY-GMYDAAELSA-N -1 0 520.560 1.572 1 0 KDAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCO[C@@H]3CNC(=O)OCOC(=O)c3ccccc3)[C@H](C)[C@H]12 ZINC000029481418 562027340 /nfs/dbraw/zinc/02/73/40/562027340.db2.gz HQRBTLHFEWMDFY-NHOXISAWSA-N -1 0 520.560 1.572 1 0 KDAFRM COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000029482765 562027612 /nfs/dbraw/zinc/02/76/12/562027612.db2.gz NNMPILZZNJWCRN-GOSISDBHSA-N -1 0 523.593 1.356 1 0 KDAFRM O=C(CN1C(=O)N[C@@H](CCCNc2nc3ccccc3[nH]2)C1=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000029489230 562029097 /nfs/dbraw/zinc/02/90/97/562029097.db2.gz UPMBUMAUUSFEIL-VQTJNVASSA-N -1 0 551.560 1.171 1 0 KDAFRM O=C(CN1C(=O)N[C@@H](CCCNc2nc3ccccc3[nH]2)C1=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000029489233 562029124 /nfs/dbraw/zinc/02/91/24/562029124.db2.gz UPMBUMAUUSFEIL-PMACEKPBSA-N -1 0 551.560 1.171 1 0 KDAFRM CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1)C(C)C)C(=O)C(F)(F)F ZINC000029548509 562030421 /nfs/dbraw/zinc/03/04/21/562030421.db2.gz LXJXWRSFTUSYRJ-OTWHNJEPSA-N -1 0 590.621 1.394 1 0 KDAFRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029548514 562030461 /nfs/dbraw/zinc/03/04/61/562030461.db2.gz LXJXWRSFTUSYRJ-FHWLQOOXSA-N -1 0 590.621 1.394 1 0 KDAFRM CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1)C(C)C)C(=O)C(F)(F)F ZINC000029548519 562030475 /nfs/dbraw/zinc/03/04/75/562030475.db2.gz LXJXWRSFTUSYRJ-QRVBRYPASA-N -1 0 590.621 1.394 1 0 KDAFRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029548523 562030432 /nfs/dbraw/zinc/03/04/32/562030432.db2.gz LXJXWRSFTUSYRJ-QYZOEREBSA-N -1 0 590.621 1.394 1 0 KDAFRM CC[C@]1(OC(=O)CC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000029553871 562031688 /nfs/dbraw/zinc/03/16/88/562031688.db2.gz JRKAABHBZYYCHR-LWEXLBLSSA-N -1 0 606.588 1.172 1 0 KDAFRM CC[C@]1(OC(=O)CC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000029553875 562031735 /nfs/dbraw/zinc/03/17/35/562031735.db2.gz JRKAABHBZYYCHR-WLPMYCRGSA-N -1 0 606.588 1.172 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(O)ccc1OCc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000029555139 562031970 /nfs/dbraw/zinc/03/19/70/562031970.db2.gz ZWJCCQADYYZZNA-FIXSFTCYSA-N -1 0 543.617 1.818 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1O)C(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000029558337 562032521 /nfs/dbraw/zinc/03/25/21/562032521.db2.gz DKPPOPVISICJJL-FUDKSRODSA-N -1 0 543.617 1.818 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(O)c1OCc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000029559109 562032634 /nfs/dbraw/zinc/03/26/34/562032634.db2.gz GJTBYBFNWZWSJC-FUDKSRODSA-N -1 0 543.617 1.818 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000029562177 562033497 /nfs/dbraw/zinc/03/34/97/562033497.db2.gz UHYZQSZTIBRPAX-KKUQBAQOSA-N -1 0 643.657 1.292 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000029562181 562033476 /nfs/dbraw/zinc/03/34/76/562033476.db2.gz UHYZQSZTIBRPAX-UODIDJSMSA-N -1 0 643.657 1.292 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000029567517 562034672 /nfs/dbraw/zinc/03/46/72/562034672.db2.gz XKGRQGZVJUSLNM-FCHUYYIVSA-N -1 0 562.583 1.037 1 0 KDAFRM NC(=[NH2+])c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000029568865 562035039 /nfs/dbraw/zinc/03/50/39/562035039.db2.gz AYJARRAJDYSSPB-FCHUYYIVSA-N -1 0 547.568 1.015 1 0 KDAFRM CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C)[C@@H](C)O ZINC000029569006 562035103 /nfs/dbraw/zinc/03/51/03/562035103.db2.gz BUKDBQNENSAVLL-GFCHLDMNSA-N -1 0 734.936 1.457 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000029569226 562035171 /nfs/dbraw/zinc/03/51/71/562035171.db2.gz VXSSJVZLEJBTKE-FCHUYYIVSA-N -1 0 562.583 1.037 1 0 KDAFRM CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)[C@@H](C)O ZINC000029569601 562035342 /nfs/dbraw/zinc/03/53/42/562035342.db2.gz ZUDPMLAPPADHPO-FKZYMROUSA-N -1 0 720.909 1.211 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000029571602 562035657 /nfs/dbraw/zinc/03/56/57/562035657.db2.gz LKJBYCXPZZJYGW-HTLVZCCDSA-N -1 0 615.749 1.841 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000029571605 562035659 /nfs/dbraw/zinc/03/56/59/562035659.db2.gz LKJBYCXPZZJYGW-HQQGYVGFSA-N -1 0 615.749 1.841 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)NCc1ccccc1 ZINC000029571842 562035867 /nfs/dbraw/zinc/03/58/67/562035867.db2.gz GFFIQGSPZYRGPI-XAXKJMDRSA-N -1 0 582.654 1.720 1 0 KDAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)COC(=O)NCc1ccccc1 ZINC000029571845 562035875 /nfs/dbraw/zinc/03/58/75/562035875.db2.gz GFFIQGSPZYRGPI-OSADXMDESA-N -1 0 582.654 1.720 1 0 KDAFRM O=C([O-])[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NC(=O)OCc1ccccc1 ZINC000029571969 562035808 /nfs/dbraw/zinc/03/58/08/562035808.db2.gz LUSHAVDQHKTOOU-KRWDZBQOSA-N -1 0 501.565 1.256 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)([O-])OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1 ZINC000031870971 562036577 /nfs/dbraw/zinc/03/65/77/562036577.db2.gz NHXYRNUOGNQNGZ-AYOQOUSVSA-N -1 0 504.436 1.271 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)([O-])OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1 ZINC000031870975 562036582 /nfs/dbraw/zinc/03/65/82/562036582.db2.gz NHXYRNUOGNQNGZ-ZYSHUDEJSA-N -1 0 504.436 1.271 1 0 KDAFRM CCCC(=O)Nc1ncnc2c1[nH]c(=S)n2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1OC(=O)CCC ZINC000033753917 562037639 /nfs/dbraw/zinc/03/76/39/562037639.db2.gz OKDBZYGQWTWGHH-KRQFVHPKSA-N -1 0 501.458 1.979 1 0 KDAFRM COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2COS(=O)(=O)[O-])cc(OC)c1O ZINC000034177984 560087616 /nfs/dbraw/zinc/08/76/16/560087616.db2.gz RRBNWWDPKOJFOA-LBTNJELSSA-N -1 0 500.522 1.864 1 0 endogenous,in-man KDAFRM Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2c(Br)c(Br)sc2C(=O)[O-])c1=O ZINC000035323756 562045133 /nfs/dbraw/zinc/04/51/33/562045133.db2.gz VDFYFXPYXBDMBE-ZETCQYMHSA-N -1 0 511.148 1.063 1 0 in-vitro KDAFRM COCCOCC(=O)[N-]S(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1 ZINC000035821995 562045329 /nfs/dbraw/zinc/04/53/29/562045329.db2.gz GNWYRGSZYKTRDA-UHFFFAOYSA-N -1 0 510.479 1.039 1 0 KDAFRM CCOC(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1 ZINC000036124408 562047404 /nfs/dbraw/zinc/04/74/04/562047404.db2.gz XNBFIYZPJDNHMB-UHFFFAOYSA-N -1 0 522.490 1.719 1 0 KDAFRM Nc1nc(Nc2ccc(S(=O)(=O)[N-]C(=O)CCN3CCOCC3)cc2)nn1C(=O)c1c(F)cccc1F ZINC000036124414 562047475 /nfs/dbraw/zinc/04/74/75/562047475.db2.gz NCAQNCOMJJVZLQ-UHFFFAOYSA-N -1 0 535.533 1.098 1 0 KDAFRM CCC[C@@H]1NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O ZINC000036160595 562048558 /nfs/dbraw/zinc/04/85/58/562048558.db2.gz QJCMXGALXZLNHR-QXBJWQJQSA-N -1 0 566.655 1.749 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)[O-])NC1=O ZINC000036160620 562048532 /nfs/dbraw/zinc/04/85/32/562048532.db2.gz VYPKFPCKFUXKPI-FIWZSRBJSA-N -1 0 552.628 1.215 1 0 KDAFRM COC(=O)C(CCCS(=O)(=O)c1nnnn1-c1ccccc1)(Cc1ccc(NS(=O)(=O)[O-])cc1)C(=O)OC ZINC000036179198 562049903 /nfs/dbraw/zinc/04/99/03/562049903.db2.gz WWEAFGZFTIFKMS-UHFFFAOYSA-N -1 0 567.602 1.006 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CCSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311083 562055103 /nfs/dbraw/zinc/05/51/03/562055103.db2.gz SRLYNPVHVAXJEQ-NAVOZUGXSA-N -1 0 588.727 1.745 1 0 KDAFRM CC(=O)N1CC[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CCSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311085 562055062 /nfs/dbraw/zinc/05/50/62/562055062.db2.gz SRLYNPVHVAXJEQ-NEWJYFPISA-N -1 0 588.727 1.745 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@H]1C(=O)N[C@H]1CCSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311088 562055060 /nfs/dbraw/zinc/05/50/60/562055060.db2.gz SRLYNPVHVAXJEQ-SBFWRKJZSA-N -1 0 588.727 1.745 1 0 KDAFRM CC(=O)N1CC[C@@H](c2ccc(O)cc2)[C@H]1C(=O)N[C@H]1CCSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311090 562055095 /nfs/dbraw/zinc/05/50/95/562055095.db2.gz SRLYNPVHVAXJEQ-ZJZGAYNASA-N -1 0 588.727 1.745 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311096 562055093 /nfs/dbraw/zinc/05/50/93/562055093.db2.gz FUMUNZSMTFBHGN-WZYRSQIMSA-N -1 0 574.700 1.354 1 0 KDAFRM CC(=O)N1CC[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311098 562055052 /nfs/dbraw/zinc/05/50/52/562055052.db2.gz FUMUNZSMTFBHGN-CWBXHPNXSA-N -1 0 574.700 1.354 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@H]1C(=O)N[C@H]1CSCC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311100 562055109 /nfs/dbraw/zinc/05/51/09/562055109.db2.gz FUMUNZSMTFBHGN-LDVJMBRRSA-N -1 0 574.700 1.354 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CCSC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311111 562055099 /nfs/dbraw/zinc/05/50/99/562055099.db2.gz FPCLQJCVDNGFQH-WZYRSQIMSA-N -1 0 574.700 1.354 1 0 KDAFRM CC(=O)N1CC[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)N[C@H]1CCSC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311113 562055122 /nfs/dbraw/zinc/05/51/22/562055122.db2.gz FPCLQJCVDNGFQH-CWBXHPNXSA-N -1 0 574.700 1.354 1 0 KDAFRM CC(=O)N1CC[C@H](c2ccc(O)cc2)[C@H]1C(=O)N[C@H]1CCSC[C@@H](C(=O)[O-])NC(=O)C2(CCCC2)CCNC1=O ZINC000036311116 562055072 /nfs/dbraw/zinc/05/50/72/562055072.db2.gz FPCLQJCVDNGFQH-LDVJMBRRSA-N -1 0 574.700 1.354 1 0 KDAFRM C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330746 562055924 /nfs/dbraw/zinc/05/59/24/562055924.db2.gz UWAYLWFQLPJYES-HARLFGEKSA-N -1 0 504.628 1.856 1 0 KDAFRM C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330748 562055920 /nfs/dbraw/zinc/05/59/20/562055920.db2.gz UWAYLWFQLPJYES-JZWVFAODSA-N -1 0 504.628 1.856 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(=O)[O-])NC(=O)[C@H]2CCCCN2CC1=O ZINC000036338631 562057030 /nfs/dbraw/zinc/05/70/30/562057030.db2.gz CTTANNOODHAJLL-QFWBBBNPSA-N -1 0 611.740 1.825 1 0 KDAFRM O=C([O-])c1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000036380236 562059669 /nfs/dbraw/zinc/05/96/69/562059669.db2.gz YXNDFGWCXDUDBU-UHFFFAOYSA-N -1 0 504.489 1.129 1 0 KDAFRM O=C([O-])Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000036380239 562059814 /nfs/dbraw/zinc/05/98/14/562059814.db2.gz HVROOIHVMHFTDR-UHFFFAOYSA-N -1 0 518.516 1.058 1 0 KDAFRM O=C([O-])/C=C/c1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000038141941 562063386 /nfs/dbraw/zinc/06/33/86/562063386.db2.gz XJVRPHKDIWXBQF-DAFODLJHSA-N -1 0 530.527 1.529 1 0 KDAFRM O=C([O-])CCc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F ZINC000038141942 562063364 /nfs/dbraw/zinc/06/33/64/562063364.db2.gz YOOKYEDTXPFLFB-UHFFFAOYSA-N -1 0 532.543 1.448 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC[P@@](=O)([O-])O)NC(=O)[C@H]2CCCCN2CC1=O ZINC000038377740 562071708 /nfs/dbraw/zinc/07/17/08/562071708.db2.gz IXRJKFIGTWNWBV-RCIPKSMKSA-N -1 0 661.737 1.918 1 0 KDAFRM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000040409728 562075219 /nfs/dbraw/zinc/07/52/19/562075219.db2.gz GVXZIDMCXUICPR-HFSMHLIXSA-N -1 0 509.625 1.998 1 0 KDAFRM CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCC(=O)[O-])NCCOc2ccccc2/C=C/CNC1=O ZINC000040567921 562078201 /nfs/dbraw/zinc/07/82/01/562078201.db2.gz AFBRTEYBYRHYCJ-MMHKTENZSA-N -1 0 502.612 1.457 1 0 KDAFRM CN1CCN(S(=O)(=O)c2ccccc2)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C ZINC000040602267 562078392 /nfs/dbraw/zinc/07/83/92/562078392.db2.gz MBPUNGIASDQPCW-IBGZPJMESA-N -1 0 515.567 1.232 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)([O-])OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1F ZINC000040698337 562079141 /nfs/dbraw/zinc/07/91/41/562079141.db2.gz IVQQHVQAJBYSCW-WNHJNPCNSA-N -1 0 524.442 1.443 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)([O-])OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1F ZINC000040698339 562079071 /nfs/dbraw/zinc/07/90/71/562079071.db2.gz IVQQHVQAJBYSCW-BVBHFADKSA-N -1 0 524.442 1.443 1 0 KDAFRM COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)([O-])OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1F ZINC000040698341 562079112 /nfs/dbraw/zinc/07/91/12/562079112.db2.gz IVQQHVQAJBYSCW-XGXHKWSGSA-N -1 0 524.442 1.443 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccc5c(c4)CCO5)[C@H]3SC2)s1 ZINC000040712437 562079086 /nfs/dbraw/zinc/07/90/86/562079086.db2.gz UFJBXODQIPZVKM-SPYBWZPUSA-N -1 0 519.630 1.312 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccc5c(c4)CCO5)[C@@H]3SC2)s1 ZINC000040712440 562079118 /nfs/dbraw/zinc/07/91/18/562079118.db2.gz UFJBXODQIPZVKM-CLCXKQKWSA-N -1 0 519.630 1.312 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](N)c4ccc5c(c4)CCO5)[C@H]3SC2)s1 ZINC000040712443 562079114 /nfs/dbraw/zinc/07/91/14/562079114.db2.gz UFJBXODQIPZVKM-ZRGWGRIASA-N -1 0 519.630 1.312 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](N)c4ccc5c(c4)CCO5)[C@@H]3SC2)s1 ZINC000040712446 562079092 /nfs/dbraw/zinc/07/90/92/562079092.db2.gz UFJBXODQIPZVKM-VCBZYWHSSA-N -1 0 519.630 1.312 1 0 KDAFRM CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(C(=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000040762805 562079421 /nfs/dbraw/zinc/07/94/21/562079421.db2.gz SQACINJZSPEOOQ-UKTKYZJWSA-N -1 0 500.483 1.940 1 0 KDAFRM CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 ZINC000043024160 562645046 /nfs/dbraw/zinc/64/50/46/562645046.db2.gz RWNRDBRSMZYOAI-NRFANRHFSA-N -1 0 542.589 1.772 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 ZINC000043071890 562645554 /nfs/dbraw/zinc/64/55/54/562645554.db2.gz VJCPWAGJJGLJKV-FQEVSTJZSA-N -1 0 527.578 1.417 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000043120091 562646064 /nfs/dbraw/zinc/64/60/64/562646064.db2.gz UKCKBFFQALLERC-QHCPKHFHSA-N -1 0 567.643 1.974 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 ZINC000043120649 562646078 /nfs/dbraw/zinc/64/60/78/562646078.db2.gz BETOWLYEFWQDAS-FQEVSTJZSA-N -1 0 528.562 1.384 1 0 KDAFRM COc1ccc(-c2cc(SC)nc([N-]c3nc(N4CCN(C)CC4)nc(N4CCN(C)CC4)n3)n2)cc1OC ZINC000043121787 562646178 /nfs/dbraw/zinc/64/61/78/562646178.db2.gz AAGHAGCQUPTUAT-UHFFFAOYSA-N -1 0 552.709 2.315 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-c3cn[nH]c3)nc(-c3ccccc3)n2)CC1 ZINC000043133037 562646336 /nfs/dbraw/zinc/64/63/36/562646336.db2.gz JRCPXGKLJXFYJY-IBGZPJMESA-N -1 0 535.561 1.798 1 0 KDAFRM CC(=O)N[C@@H]1[C@H](O)C[C@](OCCCCCCC(=O)NCc2cc3ccccc3c3ccccc23)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO ZINC000043335019 562647870 /nfs/dbraw/zinc/64/78/70/562647870.db2.gz INRJLQKYLUIYKQ-NFDBIUNKSA-N -1 0 626.703 1.726 1 0 KDAFRM CC(=O)N[C@@H]1[C@H](O)C[C@](OCCCCCCCCC(=O)NCc2cccc3ccccc32)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO ZINC000043335044 562647890 /nfs/dbraw/zinc/64/78/90/562647890.db2.gz OHEFTWHCQWUHJF-QKDLDBCLSA-N -1 0 604.697 1.353 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](Br)c3cccs3)[C@H]2SC1 ZINC000043422774 562648458 /nfs/dbraw/zinc/64/84/58/562648458.db2.gz ZAMWMVRPQUNNGO-ISTVAULSSA-N -1 0 531.439 1.239 1 0 KDAFRM NC(=O)[C@H](Cc1cccc(C(=O)c2ccccc2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000043511509 562648759 /nfs/dbraw/zinc/64/87/59/562648759.db2.gz SHVUYDSWKVXLLR-ZEQRLZLVSA-N -1 0 531.565 1.259 1 0 KDAFRM CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)NCCO)c(=O)oc3c2C)OC1(C)C ZINC000043683246 562650775 /nfs/dbraw/zinc/65/07/75/562650775.db2.gz ZEIOZSFTQHFSEK-INGGGZDUSA-N -1 0 560.556 1.281 1 0 KDAFRM CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)NCC[NH+](C)C)c(=O)oc3c2C)OC1(C)C ZINC000043781366 562650873 /nfs/dbraw/zinc/65/08/73/562650873.db2.gz HQIPANSCDGGIIT-ZYPUAGOQSA-N -1 0 587.626 1.850 1 0 KDAFRM CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CC[P@@](=O)([O-])[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O ZINC000043860740 562651078 /nfs/dbraw/zinc/65/10/78/562651078.db2.gz SUUMMZRALZJQGG-JRBASJLZSA-N -1 0 617.684 1.507 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccc5c(c4)OCO5)[C@H]3SC2)s1 ZINC000043888719 562651142 /nfs/dbraw/zinc/65/11/42/562651142.db2.gz XHJDIATYHUMLKT-HBUWYVDXSA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccc5c(c4)OCO5)[C@@H]3SC2)s1 ZINC000043888722 562651175 /nfs/dbraw/zinc/65/11/75/562651175.db2.gz XHJDIATYHUMLKT-LBTNJELSSA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](N)c4ccc5c(c4)OCO5)[C@H]3SC2)s1 ZINC000043888725 562651140 /nfs/dbraw/zinc/65/11/40/562651140.db2.gz XHJDIATYHUMLKT-QWQRMKEZSA-N -1 0 521.602 1.106 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](N)c4ccc5c(c4)OCO5)[C@@H]3SC2)s1 ZINC000043888730 562651156 /nfs/dbraw/zinc/65/11/56/562651156.db2.gz XHJDIATYHUMLKT-GLJUWKHASA-N -1 0 521.602 1.106 1 0 KDAFRM NC(=O)C1(NC(=O)[C@H](CCCCNC(=O)c2cccc(OCC(=O)[O-])c2)NC(=O)c2cc(O)cc(O)c2)CCCCC1 ZINC000044053415 562651996 /nfs/dbraw/zinc/65/19/96/562651996.db2.gz QOZZGIJAHXISQU-QHCPKHFHSA-N -1 0 584.626 1.564 1 0 KDAFRM CC(C)C[C@H]([NH2+][C@@H](CCNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000044247102 562652720 /nfs/dbraw/zinc/65/27/20/562652720.db2.gz WGOSJPPRWVTLNC-KMDXXIMOSA-N -1 0 570.643 1.689 1 0 KDAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000044358648 562655355 /nfs/dbraw/zinc/65/53/55/562655355.db2.gz WNPJRMNPFKBBII-GREYNLTISA-N -1 0 523.623 1.682 1 0 KDAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000044359748 562655530 /nfs/dbraw/zinc/65/55/30/562655530.db2.gz HARZBTOIPWFYMK-QSAXASRESA-N -1 0 523.623 1.682 1 0 KDAFRM CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(C(N)=[NH2+])ccc2[O-])c(NCC(=O)[O-])c1 ZINC000044359946 562655568 /nfs/dbraw/zinc/65/55/68/562655568.db2.gz XHHXIDBRLXSRNG-UHFFFAOYSA-N -1 0 546.627 1.764 1 0 KDAFRM Cc1ccc(C)c(CCNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c1 ZINC000044404064 562656366 /nfs/dbraw/zinc/65/63/66/562656366.db2.gz IRXSNMCFWBVFSF-KSSFIOAISA-N -1 0 569.508 1.631 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000044404142 562656396 /nfs/dbraw/zinc/65/63/96/562656396.db2.gz RLJUGFQBBKTVRR-BONVTDFDSA-N -1 0 561.872 1.625 1 0 KDAFRM C[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000044404831 562656600 /nfs/dbraw/zinc/65/66/00/562656600.db2.gz VMPUKWSLCRUGSR-SDBXPKJASA-N -1 0 549.380 1.572 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCC1(c2ccccc2)CC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000044404904 562656531 /nfs/dbraw/zinc/65/65/31/562656531.db2.gz KWUGQOXZVURDLC-GUYCJALGSA-N -1 0 567.492 1.503 1 0 KDAFRM C[C@H](CCO)CC[C@@H]1C(C(=O)[O-])=CC[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]12C ZINC000044405117 562656619 /nfs/dbraw/zinc/65/66/19/562656619.db2.gz LTEZVUVZFATCKC-CQROLDHSSA-N -1 0 500.629 1.444 1 0 KDAFRM C[C@@H](CCO)CC[C@@H]1C(C(=O)[O-])=CC[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]12C ZINC000044405120 562656632 /nfs/dbraw/zinc/65/66/32/562656632.db2.gz LTEZVUVZFATCKC-KICBYLICSA-N -1 0 500.629 1.444 1 0 KDAFRM Cc1ccc(C)c(CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c1 ZINC000044405269 562656636 /nfs/dbraw/zinc/65/66/36/562656636.db2.gz WQCDXFCLSJKPFB-GUYCJALGSA-N -1 0 555.481 1.588 1 0 KDAFRM Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)cc1C ZINC000044405451 562656665 /nfs/dbraw/zinc/65/66/65/562656665.db2.gz PDYZTSBNHZTQRX-GUYCJALGSA-N -1 0 555.481 1.588 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCCC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000044405549 562656698 /nfs/dbraw/zinc/65/66/98/562656698.db2.gz QDZFOADHVLNZLH-NHYWBVRUSA-N -1 0 533.475 1.352 1 0 KDAFRM Cc1ccc(CCNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)cc1C ZINC000044405591 562656709 /nfs/dbraw/zinc/65/67/09/562656709.db2.gz BPRSHWIFKDPOAZ-KSSFIOAISA-N -1 0 569.508 1.631 1 0 KDAFRM CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1O ZINC000044405627 562656681 /nfs/dbraw/zinc/65/66/81/562656681.db2.gz BHCRVKVXJRBQJR-YPDHAKIYSA-N -1 0 516.455 1.925 1 0 biogenic,in-vitro KDAFRM Cc1ccccc1CCNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000044417019 562657016 /nfs/dbraw/zinc/65/70/16/562657016.db2.gz RNKVSYPRGAILIK-GUYCJALGSA-N -1 0 555.481 1.322 1 0 KDAFRM Cc1cccc(CCNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c1 ZINC000044417097 562657047 /nfs/dbraw/zinc/65/70/47/562657047.db2.gz XVZQSTFHSSMRCP-GUYCJALGSA-N -1 0 555.481 1.322 1 0 KDAFRM Cc1ccc(CCNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c(C)c1 ZINC000044417150 562657082 /nfs/dbraw/zinc/65/70/82/562657082.db2.gz FIWUHSLZKDSRRX-KSSFIOAISA-N -1 0 569.508 1.631 1 0 KDAFRM CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)O[C@H]1C ZINC000044417809 291690887 /nfs/dbraw/zinc/69/08/87/291690887.db2.gz VWQNZPASHLNLEM-WKSZPJAWSA-N -1 0 516.455 1.925 1 0 biogenic,in-vitro KDAFRM Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c(C)c1 ZINC000044430512 562657557 /nfs/dbraw/zinc/65/75/57/562657557.db2.gz ZQBGZBYBWNWBDJ-GUYCJALGSA-N -1 0 555.481 1.588 1 0 KDAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(-c3ccccc3)nc(N3CCCC3)c1=O)N2 ZINC000044430649 562657598 /nfs/dbraw/zinc/65/75/98/562657598.db2.gz GOQCTJJFPOIODD-UHFFFAOYSA-N -1 0 530.588 1.471 1 0 KDAFRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(NC(=O)c2ccccc2Cl)(C(=O)[O-])CC1 ZINC000045374483 562662305 /nfs/dbraw/zinc/66/23/05/562662305.db2.gz BUFCFORHWVCNDV-UHFFFAOYSA-N -1 0 500.982 1.781 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000049021613 562663383 /nfs/dbraw/zinc/66/33/83/562663383.db2.gz RHXNOOCREIOLQS-VXKWHMMOSA-N -1 0 523.546 1.271 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1 ZINC000049033009 562663415 /nfs/dbraw/zinc/66/34/15/562663415.db2.gz CFOQMJHSWGQUOP-GOTSBHOMSA-N -1 0 523.517 1.506 1 0 KDAFRM NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)c2sccc2[N-]S(=O)(=O)c2ccc(N)cc2)C(=O)[O-])cc1 ZINC000049112681 562664619 /nfs/dbraw/zinc/66/46/19/562664619.db2.gz AQHWDAWKTKRYOE-KRWDZBQOSA-N -1 0 502.578 1.862 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)C(=O)NCC(=O)[O-] ZINC000049592785 562664936 /nfs/dbraw/zinc/66/49/36/562664936.db2.gz NIFQVTLUIQZJGH-SZBRSHHCSA-N -1 0 673.812 1.272 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N(C)CC(=O)[O-] ZINC000049600063 562665024 /nfs/dbraw/zinc/66/50/24/562665024.db2.gz KFWZSGLLGOZTAI-FTVGXNHISA-N -1 0 687.839 1.614 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000049600154 562665020 /nfs/dbraw/zinc/66/50/20/562665020.db2.gz CNRGVYWCIDQFHH-MMFKJDLKSA-N -1 0 687.839 1.660 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCC(=O)[O-] ZINC000049600193 562665025 /nfs/dbraw/zinc/66/50/25/562665025.db2.gz VNYOJACRBDECNH-QMJGUQGKSA-N -1 0 709.792 1.517 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1(C(=O)C(=O)NCC(=O)[O-])CC1 ZINC000049600204 562665018 /nfs/dbraw/zinc/66/50/18/562665018.db2.gz GAKNAVYVMACQFE-SZBRSHHCSA-N -1 0 671.796 1.026 1 0 KDAFRM NS(=O)(=O)c1nnc(NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)[O-])s1 ZINC000049669825 562668174 /nfs/dbraw/zinc/66/81/74/562668174.db2.gz MKYCTEHAGZSEMR-INIZCTEOSA-N -1 0 680.547 1.388 1 0 KDAFRM NS(=O)(=O)c1nnc(NC(=O)CCC(=O)N[C@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)[O-])s1 ZINC000049669828 562668171 /nfs/dbraw/zinc/66/81/71/562668171.db2.gz MKYCTEHAGZSEMR-MRXNPFEDSA-N -1 0 680.547 1.388 1 0 KDAFRM CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CSCCC(=O)[O-])NC1=O ZINC000049678333 562668519 /nfs/dbraw/zinc/66/85/19/562668519.db2.gz RBNDDVXMSFXBNX-OXCFDMGDSA-N -1 0 658.822 1.614 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 ZINC000049678589 562668616 /nfs/dbraw/zinc/66/86/16/562668616.db2.gz CLNNXCRWIUGANT-QFIPXVFZSA-N -1 0 582.658 1.759 1 0 KDAFRM O=C([O-])[C@@]1(OC(c2ccccc2)c2ccccc2)C[C@H](O)[C@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)Cc2ccc(-c3ccc(O)cc3)cc2)O1 ZINC000049678720 562668612 /nfs/dbraw/zinc/66/86/12/562668612.db2.gz VGZLWCUFGWIUKE-KXOIUKADSA-N -1 0 700.741 1.654 1 0 KDAFRM CCCCS(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CN(C(=O)CCCCCNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC000049678723 562668601 /nfs/dbraw/zinc/66/86/01/562668601.db2.gz KCBMGZXWVHZEAG-NJYVYQBISA-N -1 0 634.793 1.777 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049679467 562668874 /nfs/dbraw/zinc/66/88/74/562668874.db2.gz SZHRAPQCBRBOHP-SANMLTNESA-N -1 0 680.807 1.788 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1 ZINC000049679482 562668877 /nfs/dbraw/zinc/66/88/77/562668877.db2.gz BIMYKYJNZDMNIX-QHCPKHFHSA-N -1 0 638.726 1.779 1 0 KDAFRM CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CSCCC(=O)[O-])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 ZINC000049679604 562668923 /nfs/dbraw/zinc/66/89/23/562668923.db2.gz HBPIRFOTRWYEMS-DBXVSBKESA-N -1 0 559.689 1.327 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 ZINC000049680235 562669135 /nfs/dbraw/zinc/66/91/35/562669135.db2.gz WNMGKFILTAYPMX-SANMLTNESA-N -1 0 680.807 1.788 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049694381 562669281 /nfs/dbraw/zinc/66/92/81/562669281.db2.gz HWAOFTWAGUXRLR-QHCPKHFHSA-N -1 0 638.726 1.779 1 0 KDAFRM CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 ZINC000049694551 562669447 /nfs/dbraw/zinc/66/94/47/562669447.db2.gz CMOKNQDOFXAZIY-QESAQDPVSA-N -1 0 516.639 1.673 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(NS(=O)(=O)N5CCOCC5)cc4)CC3)nc21 ZINC000049709284 562671287 /nfs/dbraw/zinc/67/12/87/562671287.db2.gz LBAFWNVSBALVMQ-UHFFFAOYSA-N -1 0 602.699 1.018 1 0 KDAFRM CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C[NH+]1CCCCC1 ZINC000049723277 562673148 /nfs/dbraw/zinc/67/31/48/562673148.db2.gz DDHKIVGEYBILJR-DBZAZGPWSA-N -1 0 635.699 1.929 1 0 KDAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CC(N)=O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745752 562674063 /nfs/dbraw/zinc/67/40/63/562674063.db2.gz VYXLOYYJVXSXNT-SANMLTNESA-N -1 0 651.765 1.790 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2c(F)c(F)c(F)c(F)c2F)(C(=O)[O-])C[C@@H]1O ZINC000049756101 562674793 /nfs/dbraw/zinc/67/47/93/562674793.db2.gz KATKKZCERNJLGQ-ZBGJULNFSA-N -1 0 626.915 1.139 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2ccc3ccccc3c2)(C(=O)[O-])C[C@@H]1O ZINC000049756102 562674830 /nfs/dbraw/zinc/67/48/30/562674830.db2.gz ZNTFSEFUOPCMEQ-GFOHWZEFSA-N -1 0 587.025 1.597 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1C(=O)N(CC(=O)[O-])C(=O)C1(C)C)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000049756462 562675079 /nfs/dbraw/zinc/67/50/79/562675079.db2.gz UFXGRDISHSOWGA-IGKWTDBASA-N -1 0 640.694 1.411 1 0 KDAFRM O=S(=O)(c1ccccn1)c1ccccc1S(=O)(=O)N1CCC2(C[C@@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049756632 562675182 /nfs/dbraw/zinc/67/51/82/562675182.db2.gz WQARJMVGKJSAPT-INIZCTEOSA-N -1 0 539.579 1.897 1 0 KDAFRM O=S(=O)(c1ccccn1)c1ccccc1S(=O)(=O)N1CCC2(C[C@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049756634 562675147 /nfs/dbraw/zinc/67/51/47/562675147.db2.gz WQARJMVGKJSAPT-MRXNPFEDSA-N -1 0 539.579 1.897 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCC(=O)N(CC(=O)[O-])C1=O)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000049757158 562675630 /nfs/dbraw/zinc/67/56/30/562675630.db2.gz RVFPGFBVFVLGLK-LQGLAIQGSA-N -1 0 626.667 1.022 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCN(CC(=O)[O-])C1=O)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000049757189 562675665 /nfs/dbraw/zinc/67/56/65/562675665.db2.gz WKOHZUBZWBMIIR-IGKWTDBASA-N -1 0 598.657 1.105 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1C(=O)N(CC(=O)[O-])C(C)(C)C1=O)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000049757372 562675965 /nfs/dbraw/zinc/67/59/65/562675965.db2.gz QMODZZOBGZLJRU-IGKWTDBASA-N -1 0 640.694 1.411 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N(C)CCO)cc(-c3ccccc3)n2)CC1 ZINC000049762009 562676233 /nfs/dbraw/zinc/67/62/33/562676233.db2.gz AMFNYBSTPDJKKA-NRFANRHFSA-N -1 0 541.605 1.441 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2ccc(Cl)cc2)(C(=O)[O-])C[C@@H]1O ZINC000049762475 562676552 /nfs/dbraw/zinc/67/65/52/562676552.db2.gz QXIYKDHQPGQPFL-QYCMOUPQSA-N -1 0 571.410 1.097 1 0 KDAFRM O=C([O-])[C@@]1(OCc2cccc(F)c2F)C[C@H](O)[C@@H](NC(=O)CC2CC2)[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O1 ZINC000049762888 562676757 /nfs/dbraw/zinc/67/67/57/562676757.db2.gz MODRBULYMKSUKN-JLWYLQNWSA-N -1 0 613.010 1.502 1 0 KDAFRM O=C([O-])[C@@]1(OCc2cccc(F)c2F)C[C@H](O)[C@@H](NC(=O)CC2CCC2)[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O1 ZINC000049762891 562676747 /nfs/dbraw/zinc/67/67/47/562676747.db2.gz PREANLJTMCKYAI-AAHQRSNOSA-N -1 0 627.037 1.892 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2cccc(Cl)c2Cl)(C(=O)[O-])C[C@@H]1O ZINC000049766341 562677013 /nfs/dbraw/zinc/67/70/13/562677013.db2.gz OJUKXYCTUMEOEF-MCMPFTFWSA-N -1 0 605.855 1.751 1 0 KDAFRM COC(=O)[C@@H](Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)[N-]C(=O)C(F)(F)F ZINC000049767430 562677582 /nfs/dbraw/zinc/67/75/82/562677582.db2.gz ZMEBBCYCERSHRM-AKIKNMHGSA-N -1 0 673.605 1.125 1 0 KDAFRM COC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)[N-]C(=O)C(F)(F)F ZINC000049767432 562677579 /nfs/dbraw/zinc/67/75/79/562677579.db2.gz ZMEBBCYCERSHRM-BZTHSNAXSA-N -1 0 673.605 1.125 1 0 KDAFRM COC(=O)[C@@H](Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)[N-]C(=O)C(F)(F)F ZINC000049767434 562677586 /nfs/dbraw/zinc/67/75/86/562677586.db2.gz ZMEBBCYCERSHRM-DIZUJKLJSA-N -1 0 673.605 1.125 1 0 KDAFRM COC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)[N-]C(=O)C(F)(F)F ZINC000049767437 562677591 /nfs/dbraw/zinc/67/75/91/562677591.db2.gz ZMEBBCYCERSHRM-OZSYYQROSA-N -1 0 673.605 1.125 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049768031 562677796 /nfs/dbraw/zinc/67/77/96/562677796.db2.gz IGJHLWPYZVQJEA-QFIPXVFZSA-N -1 0 553.616 1.849 1 0 KDAFRM Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OC(=O)c2csc(-c3nc4ccc(O)cc4s3)n2)[C@@H](O)[C@H]1O ZINC000049774570 562678649 /nfs/dbraw/zinc/67/86/49/562678649.db2.gz DIHXJASKIBRVHU-SGZGXEQCSA-N -1 0 607.523 1.441 1 0 KDAFRM Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)([O-])OC(=O)c2csc(-c3nc4ccc(O)cc4s3)n2)[C@@H](O)[C@H]1O ZINC000049774571 562678651 /nfs/dbraw/zinc/67/86/51/562678651.db2.gz DIHXJASKIBRVHU-HAYILDEMSA-N -1 0 607.523 1.441 1 0 KDAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000049774664 562678705 /nfs/dbraw/zinc/67/87/05/562678705.db2.gz CKVZOQRSFXAUGO-SFTDATJTSA-N -1 0 530.541 1.334 1 0 KDAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000049774869 562678797 /nfs/dbraw/zinc/67/87/97/562678797.db2.gz UTJQEFSHJCYWHP-SFTDATJTSA-N -1 0 530.541 1.334 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(F)cc1 ZINC000049774883 562678775 /nfs/dbraw/zinc/67/87/75/562678775.db2.gz OFRRJQJLPFVGKD-DQEYMECFSA-N -1 0 551.571 1.825 1 0 KDAFRM C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OCCCCO ZINC000049774932 562678823 /nfs/dbraw/zinc/67/88/23/562678823.db2.gz VUCLUVJDXDXDRY-IMVQFDEQSA-N -1 0 571.627 1.003 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1F ZINC000049774980 562678844 /nfs/dbraw/zinc/67/88/44/562678844.db2.gz ODGOPLDWDRVSNC-GOTSBHOMSA-N -1 0 541.507 1.645 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000049775059 562678877 /nfs/dbraw/zinc/67/88/77/562678877.db2.gz HCROPHXAXNGTBJ-SFTDATJTSA-N -1 0 546.609 1.803 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2cccnc2)n1 ZINC000049775549 562679115 /nfs/dbraw/zinc/67/91/15/562679115.db2.gz NGMRWRGZCQSMSL-PMACEKPBSA-N -1 0 547.597 1.198 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1ccccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049776347 562679404 /nfs/dbraw/zinc/67/94/04/562679404.db2.gz JUHFHMHISPGCAP-JONZOVCNSA-N -1 0 732.835 1.546 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cccc(O)c1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049776348 562679397 /nfs/dbraw/zinc/67/93/97/562679397.db2.gz VHQJABYDFRWIDP-QEUNAIBPSA-N -1 0 732.835 1.546 1 0 KDAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000049777043 562679543 /nfs/dbraw/zinc/67/95/43/562679543.db2.gz RYDODVSHKIBWEX-SFTDATJTSA-N -1 0 546.540 1.040 1 0 KDAFRM NC(=[NH2+])NCCCC[C@@H](CC(=O)[O-])NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC000049777238 562679816 /nfs/dbraw/zinc/67/98/16/562679816.db2.gz ABTIEWFVJVXMTH-NSHDSACASA-N -1 0 525.638 1.780 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc[nH]c1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049778188 562681051 /nfs/dbraw/zinc/68/10/51/562681051.db2.gz UMQJRYPPEMYNHZ-VFFRCKCKSA-N -1 0 705.813 1.169 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000049778309 562681189 /nfs/dbraw/zinc/68/11/89/562681189.db2.gz WXPDDAQNFBWSRN-WZFFGLSISA-N -1 0 695.774 1.333 1 0 in-vivo KDAFRM NC(=O)C1(NC(=O)[C@H](CCCNC(=O)c2cccc(OCC(=O)[O-])c2)NC(=O)c2cc(O)cc(O)c2)CCCCC1 ZINC000049780787 562682245 /nfs/dbraw/zinc/68/22/45/562682245.db2.gz QPUPYTRQVPPYLH-QFIPXVFZSA-N -1 0 570.599 1.174 1 0 KDAFRM Cc1nc(C)c(C(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])o1 ZINC000049781074 562682635 /nfs/dbraw/zinc/68/26/35/562682635.db2.gz UNFIXBSLRUZKAO-FIXSFTCYSA-N -1 0 633.614 1.191 1 0 KDAFRM Cc1nc(C)c(C(=O)OC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COC(=O)c2oc(C)nc2C)NC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])o1 ZINC000049781075 562682623 /nfs/dbraw/zinc/68/26/23/562682623.db2.gz CLMJKGRNJPOFJH-BUKVSMQUSA-N -1 0 680.627 1.438 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000049781270 562682835 /nfs/dbraw/zinc/68/28/35/562682835.db2.gz DPVOBFSOHQXZJS-GOTSBHOMSA-N -1 0 569.578 1.815 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1ccoc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049781925 562683104 /nfs/dbraw/zinc/68/31/04/562683104.db2.gz XHHCLPPPMBPJKS-VFFRCKCKSA-N -1 0 706.797 1.434 1 0 KDAFRM O=C([O-])CC/C=C\C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049783617 562683146 /nfs/dbraw/zinc/68/31/46/562683146.db2.gz LXKJTYRSMYFJJX-ZVEMDQBGSA-N -1 0 559.623 1.348 1 0 KDAFRM NC(=O)C1(NC(=O)[C@H](CCCNC(=O)c2cccc(OCC(=O)[O-])c2)NC(=O)c2ccc(Oc3ccccc3)cc2)CCS(=O)(=O)CC1 ZINC000049784284 562683529 /nfs/dbraw/zinc/68/35/29/562683529.db2.gz MMAADPVDVROCJW-MHZLTWQESA-N -1 0 680.736 1.800 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000049785133 562683921 /nfs/dbraw/zinc/68/39/21/562683921.db2.gz ZQOHXRWFAPTLJB-SFTDATJTSA-N -1 0 530.541 1.334 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000049785867 562684172 /nfs/dbraw/zinc/68/41/72/562684172.db2.gz UDGKHZIJQCAAHN-SFTDATJTSA-N -1 0 546.540 1.040 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(F)cc1)C(=O)[O-] ZINC000049792769 562684472 /nfs/dbraw/zinc/68/44/72/562684472.db2.gz LNPUPNVHIWSPRI-IBWSJITASA-N -1 0 513.566 1.659 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2cccs2)n1 ZINC000049793076 562684613 /nfs/dbraw/zinc/68/46/13/562684613.db2.gz FJWOSSYMDJKZQF-ROUUACIJSA-N -1 0 552.638 1.864 1 0 KDAFRM CC[C@H](C)[C@H]1CC(=O)NCC(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N1 ZINC000049803217 562686060 /nfs/dbraw/zinc/68/60/60/562686060.db2.gz YFAZOSVGFQAKRT-QMZRJTEUSA-N -1 0 541.649 1.766 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](C(C)C)c2ccc3c(c[nH]c3c2)C[C@@H](C(=O)[O-])NC(=O)[C@H](C(C)C)NC1=O ZINC000049823082 562686982 /nfs/dbraw/zinc/68/69/82/562686982.db2.gz UZOLEYGIZGZREX-WDETZEDUSA-N -1 0 638.766 1.468 1 0 KDAFRM CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000049823251 562687135 /nfs/dbraw/zinc/68/71/35/562687135.db2.gz VPXHZZYCLOYVHG-QOZLVPLLSA-N -1 0 740.858 1.432 1 0 KDAFRM COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)[O-])[C@H]4CC[C@](C)(O)[C@H]43)[C@H](OC(=O)c3ccc(O)cc3)[C@@H](O)[C@@H]2O)ccc1O ZINC000049833408 562687780 /nfs/dbraw/zinc/68/77/80/562687780.db2.gz WNQDGXDEZSWXSE-PBAPIZBRSA-N -1 0 672.636 1.454 1 0 KDAFRM CC(=O)Oc1ccc(/C=C/C(=O)O[C@H](C(N)=O)[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)[O-])cc1OC(C)=O ZINC000049841122 562688049 /nfs/dbraw/zinc/68/80/49/562688049.db2.gz JKROSIRNXNIAKE-ZLSKSLEJSA-N -1 0 641.538 1.508 1 0 KDAFRM NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)c1cc2cc(OP(=O)([O-])[O-])ccc2[nH]1)CC3)C(=O)NCc1ccccc1 ZINC000049841144 562688046 /nfs/dbraw/zinc/68/80/46/562688046.db2.gz AZRSLUWQORPJPG-NSVAZKTRSA-N -1 0 702.661 1.709 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)[O-] ZINC000049853502 562688913 /nfs/dbraw/zinc/68/89/13/562688913.db2.gz MTSMEDVBUOTBEJ-DHXJALRNSA-N -1 0 673.812 1.272 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000049853583 562689016 /nfs/dbraw/zinc/68/90/16/562689016.db2.gz CNRGVYWCIDQFHH-HEPLQEIASA-N -1 0 687.839 1.660 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCCC(=O)[O-] ZINC000049853584 562689027 /nfs/dbraw/zinc/68/90/27/562689027.db2.gz KNUPSKTYHADVRA-FTVGXNHISA-N -1 0 687.839 1.662 1 0 KDAFRM CSCC[C@H](NC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000049853615 562689004 /nfs/dbraw/zinc/68/90/04/562689004.db2.gz YJLASMHQYTVHNC-FWEHEUNISA-N -1 0 739.852 1.724 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000049867128 562689370 /nfs/dbraw/zinc/68/93/70/562689370.db2.gz PTMBHNACBLDOOT-BONVTDFDSA-N -1 0 545.417 1.111 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000049867309 562689394 /nfs/dbraw/zinc/68/93/94/562689394.db2.gz SEDSCLRDBPXFSO-BONVTDFDSA-N -1 0 545.417 1.111 1 0 KDAFRM C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000049867344 562689427 /nfs/dbraw/zinc/68/94/27/562689427.db2.gz CUUQUNCVQNLLLW-BONVTDFDSA-N -1 0 545.417 1.111 1 0 KDAFRM Cc1cccc(CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)c1 ZINC000049867683 562689605 /nfs/dbraw/zinc/68/96/05/562689605.db2.gz QLZYBGAPTZHWPU-LRDDRELGSA-N -1 0 541.454 1.280 1 0 KDAFRM Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2c(F)c(F)cc(F)c2F)cc1 ZINC000049867686 562689607 /nfs/dbraw/zinc/68/96/07/562689607.db2.gz YWIHNJYCSCLNBC-LRDDRELGSA-N -1 0 541.454 1.280 1 0 KDAFRM Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000049867728 562689631 /nfs/dbraw/zinc/68/96/31/562689631.db2.gz TZZWQKUMLBKMAW-LRDDRELGSA-N -1 0 541.454 1.280 1 0 KDAFRM O=C([O-])[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O ZINC000049878053 562690390 /nfs/dbraw/zinc/69/03/90/562690390.db2.gz WQGMITRFZUDVDE-OZTPJHRESA-N -1 0 531.694 1.400 1 0 KDAFRM CC(C)(CO[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O ZINC000049898828 562692922 /nfs/dbraw/zinc/69/29/22/562692922.db2.gz NNQCEXYCYGOORN-CXSMSNRLSA-N -1 0 642.637 1.479 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=O)s[n-]2)c1 ZINC000049937611 562694968 /nfs/dbraw/zinc/69/49/68/562694968.db2.gz OARHYVVOMGWABN-WZFFGLSISA-N -1 0 711.842 1.801 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=S)o[n-]2)c1 ZINC000049937640 562695022 /nfs/dbraw/zinc/69/50/22/562695022.db2.gz YTHXIGISMJMQEH-WZFFGLSISA-N -1 0 711.842 1.916 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000058522894 562698612 /nfs/dbraw/zinc/69/86/12/562698612.db2.gz PUGHLRZDKTZGIQ-YWZIHDSQSA-N -1 0 603.676 1.709 1 0 KDAFRM C=CCN1c2c(N)nc(N)[nH+]c2CC[C@H]1CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1Br ZINC000058543551 562699046 /nfs/dbraw/zinc/69/90/46/562699046.db2.gz WDHACPDURGLUTQ-SUMWQHHRSA-N -1 0 562.425 1.871 1 0 KDAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CON1C(=O)C[C@@H]2CCCC[C@@H]21 ZINC000058564004 562699451 /nfs/dbraw/zinc/69/94/51/562699451.db2.gz ZKLXJAFUWINICU-BPKYXHNXSA-N -1 0 588.658 1.693 1 0 KDAFRM CC(=O)OC[C@H]1O[C@@H](Oc2cc(-c3oc4cc([O-])cc(O)c4c(=O)c3O)ccc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000058590643 562700365 /nfs/dbraw/zinc/70/03/65/562700365.db2.gz QTGWAQZNUPZBBW-WBPASQONSA-N -1 0 632.527 1.744 1 0 KDAFRM COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@H]21 ZINC000058590831 562700348 /nfs/dbraw/zinc/70/03/48/562700348.db2.gz RIZFXYYZCMSEJX-UDDBKKFHSA-N -1 0 660.721 1.483 1 0 KDAFRM O=C([O-])C1=C(/C=C/CNS(=O)(=O)c2ccccc2)CS[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12 ZINC000058602963 562700910 /nfs/dbraw/zinc/70/09/10/562700910.db2.gz XGHREZCEZRLJPI-GLAVAEGZSA-N -1 0 513.597 1.502 1 0 KDAFRM CC(C)C[C@H]([NH2+][C@H](CCNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000058649949 562701304 /nfs/dbraw/zinc/70/13/04/562701304.db2.gz WGOSJPPRWVTLNC-TZRRMPRUSA-N -1 0 570.643 1.689 1 0 KDAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)[P@@](=O)([O-])O ZINC000058661173 562701452 /nfs/dbraw/zinc/70/14/52/562701452.db2.gz ZFRNBYWFOLDQKG-FDMHNHSTSA-N -1 0 535.534 1.539 1 0 in-vitro KDAFRM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)ccc1O ZINC000059733159 291712580 /nfs/dbraw/zinc/71/25/80/291712580.db2.gz IEPFJUWLUIZSOQ-DCLXZINWSA-N -1 0 604.517 1.477 1 0 biogenic,in-vitro KDAFRM CCCCOC(=O)[C@H]1O[C@@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccc(OC)cc4)oc2-3)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059761946 560082282 /nfs/dbraw/zinc/08/22/82/560082282.db2.gz NSUHKBNUFZSKRR-BXXVLEOKSA-N -1 0 532.498 1.410 1 0 biogenic,in-vitro KDAFRM CCCCOC(=O)[C@@H]1O[C@@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccc(OC)cc4)oc2-3)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059761947 560082312 /nfs/dbraw/zinc/08/23/12/560082312.db2.gz NSUHKBNUFZSKRR-RXANJWOQSA-N -1 0 532.498 1.410 1 0 biogenic,in-vitro KDAFRM O=S(=O)(c1ccccc1F)c1ncccc1S(=O)(=O)N1CCC(C[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000064527069 562706715 /nfs/dbraw/zinc/70/67/15/562706715.db2.gz LAMCHEDTFNJHQD-UHFFFAOYSA-N -1 0 545.558 1.893 1 0 KDAFRM O=S(=O)([N-]CC1(O)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1)C(F)(F)F ZINC000064527540 562707015 /nfs/dbraw/zinc/70/70/15/562707015.db2.gz XWEBEJFWKAUOAE-UHFFFAOYSA-N -1 0 599.606 1.972 1 0 KDAFRM CC(=O)N1CCN(c2cc(Br)c3nc(C(=O)NCc4ccc(F)cc4)c([O-])c(=O)n3c2)CC1 ZINC000064541178 562707803 /nfs/dbraw/zinc/70/78/03/562707803.db2.gz AVEADFUBEJNYMC-UHFFFAOYSA-N -1 0 518.343 1.900 1 0 KDAFRM O=C(NCc1ccc(F)cc1)c1nc2c(I)cc(N3CCOCC3)cn2c(=O)c1[O-] ZINC000064548461 562707862 /nfs/dbraw/zinc/70/78/62/562707862.db2.gz GRBCIWJISIGQFD-UHFFFAOYSA-N -1 0 524.290 1.910 1 0 KDAFRM CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000066113331 562712208 /nfs/dbraw/zinc/71/22/08/562712208.db2.gz KBFKKLTZUMTKNC-SDHOMARFSA-N -1 0 623.707 1.158 1 0 KDAFRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])[NH2+]CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000066113966 562712260 /nfs/dbraw/zinc/71/22/60/562712260.db2.gz AUNWMYXKSKZKQR-NUXNZHGMSA-N -1 0 547.436 1.348 1 0 KDAFRM CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])[NH2+]CCC1CCCCC1)[C@@H](C)O)C(=O)[O-] ZINC000066114417 562712344 /nfs/dbraw/zinc/71/23/44/562712344.db2.gz XVBZEYLAAISIDP-OKSLILNBSA-N -1 0 544.715 1.176 1 0 KDAFRM CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])[NH2+]CCc1ccc2ccccc2c1)[C@@H](C)O)C(=O)[O-] ZINC000066114418 562712315 /nfs/dbraw/zinc/71/23/15/562712315.db2.gz NISYTZQXMHYJCD-VFFNRDDGSA-N -1 0 588.727 1.602 1 0 KDAFRM CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])[NH2+]CCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(=O)[O-] ZINC000066114421 562712337 /nfs/dbraw/zinc/71/23/37/562712337.db2.gz MQVRLOSWHOLIPR-QAJIRISXSA-N -1 0 607.557 1.755 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])[NH2+]CCCc1ccc2ccccc2c1)[C@@H](C)O)C(=O)[O-] ZINC000066122805 562712384 /nfs/dbraw/zinc/71/23/84/562712384.db2.gz UQHFYOATKGJEBF-BRQKXJLLSA-N -1 0 586.686 1.191 1 0 KDAFRM COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000070450895 291713202 /nfs/dbraw/zinc/71/32/02/291713202.db2.gz WCIDSNIXNCYSPH-AYCJRBPQSA-N -1 0 544.509 1.636 1 0 biogenic,in-vitro KDAFRM Cn1c(=O)cc(N2CCN(CCCN3c4ccccc4COc4ccc(CC(=O)[O-])cc43)CC2)n(C)c1=O ZINC000071317888 562718367 /nfs/dbraw/zinc/71/83/67/562718367.db2.gz GUYGSIXDIXLGLA-UHFFFAOYSA-N -1 0 519.602 1.954 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nc(N5CCOCC5)nc(N5CCOCC5)n4)CC3)c(F)c21 ZINC000071330863 562719202 /nfs/dbraw/zinc/71/92/02/562719202.db2.gz MWUAYFAGTNOJSA-UHFFFAOYSA-N -1 0 586.600 1.183 1 0 KDAFRM O=C(N1CCNC1=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072108475 562721469 /nfs/dbraw/zinc/72/14/69/562721469.db2.gz ZPEQVNOXLLWMPR-UHFFFAOYSA-N -1 0 506.519 1.193 1 0 KDAFRM O=C([O-])[C@@]1(OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)Cc2ccc(-c3ccc(O)cc3)cc2)O1 ZINC000072122176 562724506 /nfs/dbraw/zinc/72/45/06/562724506.db2.gz BYOGJWZJGWRELD-KSQAYMAHSA-N -1 0 700.741 1.731 1 0 KDAFRM NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000072128866 562726385 /nfs/dbraw/zinc/72/63/85/562726385.db2.gz XUXFPZSQSAEYJZ-ORYMTKCHSA-N -1 0 677.762 1.953 1 0 KDAFRM NC(=O)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000072129884 562726513 /nfs/dbraw/zinc/72/65/13/562726513.db2.gz IYDHXHJTVYZNIX-KRCBVYEFSA-N -1 0 663.735 1.563 1 0 KDAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1 ZINC000072129885 562726511 /nfs/dbraw/zinc/72/65/11/562726511.db2.gz ICMNBYWRAPKBHX-KECWCRPSSA-N -1 0 636.709 1.680 1 0 KDAFRM CC(=O)Nn1c(Cc2c3c(sc2NCCC(=O)[O-])CCCC3)nnc1SCC1N=NC(=S)N1N ZINC000072173165 562730799 /nfs/dbraw/zinc/73/07/99/562730799.db2.gz LQBDQNHWHZILKL-UHFFFAOYSA-N -1 0 523.670 1.672 1 0 KDAFRM CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(=O)[n-]c(N5CCOCC5)n4)cc3)cc2)CC1 ZINC000072177843 562731904 /nfs/dbraw/zinc/73/19/04/562731904.db2.gz FMXJLJWHHSYGHH-UHFFFAOYSA-N -1 0 518.578 1.700 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1C(=O)[C@H](Cc2ccc(O)cc2)NC12CCCCC2)C(=O)[O-] ZINC000072180479 562732508 /nfs/dbraw/zinc/73/25/08/562732508.db2.gz FHIBNLSDBGSXHC-KCHLEUMXSA-N -1 0 635.762 1.855 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1C(=O)[C@H](Cc2ccc(O)cc2)NC12CCCC2)C(=O)[O-] ZINC000072180727 562732536 /nfs/dbraw/zinc/73/25/36/562732536.db2.gz RBOLSZWARUCOJO-QKDODKLFSA-N -1 0 621.735 1.465 1 0 KDAFRM CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCC(=O)[O-])C1=O ZINC000073196608 562735149 /nfs/dbraw/zinc/73/51/49/562735149.db2.gz KLDXRARCNIPLDX-XZOQPEGZSA-N -1 0 524.618 1.137 1 0 KDAFRM O=C([O-])[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1 ZINC000073294980 562737636 /nfs/dbraw/zinc/73/76/36/562737636.db2.gz ZHAYZGGAMQAYEZ-GSDHBNRESA-N -1 0 576.581 1.643 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000073295078 562737657 /nfs/dbraw/zinc/73/76/57/562737657.db2.gz RQGNHTKSTALCHU-SSKCBDBQSA-N -1 0 579.698 1.909 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000073295079 562737624 /nfs/dbraw/zinc/73/76/24/562737624.db2.gz RQGNHTKSTALCHU-REVLRCOSSA-N -1 0 579.698 1.909 1 0 KDAFRM CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000073295592 562737635 /nfs/dbraw/zinc/73/76/35/562737635.db2.gz RQGNHTKSTALCHU-MTKOPPBXSA-N -1 0 579.698 1.909 1 0 KDAFRM NC(=O)NCCC[C@H](NC(=O)[C@H]1CC[C@H]2CC[C@@H](NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000082136644 562738957 /nfs/dbraw/zinc/73/89/57/562738957.db2.gz HVYTZTLDFOZUEB-XQDVFQCSSA-N -1 0 634.734 1.003 1 0 KDAFRM NC(=O)NCCC[C@@H](NC(=O)[C@H]1CC[C@H]2CC[C@@H](NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000082136645 562738942 /nfs/dbraw/zinc/73/89/42/562738942.db2.gz HVYTZTLDFOZUEB-RFNQJFSXSA-N -1 0 634.734 1.003 1 0 KDAFRM [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000082139799 562739228 /nfs/dbraw/zinc/73/92/28/562739228.db2.gz DHDNCRXEHLHKJV-AMEOFWRWSA-N -1 0 643.697 1.633 1 0 KDAFRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])cc2)nc3N)[C@H](O)[C@@H]1O ZINC000082140273 562739372 /nfs/dbraw/zinc/73/93/72/562739372.db2.gz SLFPVNKYLXEKBK-OVSGKPRASA-N -1 0 685.742 1.044 1 0 KDAFRM O=C1[N-]C(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(CCOCCOCCOCCOCc3cn(CCF)nn3)CC2)C(=O)N1 ZINC000082149493 562739705 /nfs/dbraw/zinc/73/97/05/562739705.db2.gz HSWKOBISGMUSTR-UHFFFAOYSA-N -1 0 683.738 1.485 1 0 KDAFRM O=C1[N-]C(=O)C(NCc2cn(CCOCCOCCOCCF)nn2)(c2ccc(Oc3ccccc3)cc2)C(=O)N1 ZINC000082152862 562740120 /nfs/dbraw/zinc/74/01/20/562740120.db2.gz APJIPTNFOKEMIQ-UHFFFAOYSA-N -1 0 570.578 1.441 1 0 KDAFRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])cc2)nc3N)[C@H](O)[C@@H]1O ZINC000082155928 562740622 /nfs/dbraw/zinc/74/06/22/562740622.db2.gz SLFPVNKYLXEKBK-NYPBNXJUSA-N -1 0 685.742 1.044 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1cc(F)cc(F)c1 ZINC000082157639 562740949 /nfs/dbraw/zinc/74/09/49/562740949.db2.gz AWEJTSUFDDGKCE-FIXSFTCYSA-N -1 0 679.741 1.683 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(C)C)C(=O)NC(C)(C)CC1CCCCC1 ZINC000082157642 562740931 /nfs/dbraw/zinc/74/09/31/562740931.db2.gz CELDFOJHMBYDIN-ZJOUEHCJSA-N -1 0 609.744 1.209 1 0 KDAFRM COc1cccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c2[nH]c(=O)[n-]c(=O)c2F)C(C)C)c1 ZINC000082164820 562741232 /nfs/dbraw/zinc/74/12/32/562741232.db2.gz JFGBXAWVIBFEEJ-LSQMVHIFSA-N -1 0 673.787 1.414 1 0 KDAFRM COc1ccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c2[nH]c(=O)[n-]c(=O)c2F)C(C)C)cc1 ZINC000082164960 562741369 /nfs/dbraw/zinc/74/13/69/562741369.db2.gz MEAHAMNTNBIFIS-LSQMVHIFSA-N -1 0 673.787 1.414 1 0 KDAFRM Cc1ccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c2[nH]c(=O)[n-]c(=O)c2F)C(C)C)cc1 ZINC000082165051 562741332 /nfs/dbraw/zinc/74/13/32/562741332.db2.gz YFPRHPDKDJHSPN-LSQMVHIFSA-N -1 0 657.788 1.714 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000084394974 562742915 /nfs/dbraw/zinc/74/29/15/562742915.db2.gz NUTWTXPQUHCSIQ-IXNCMPGZSA-N -1 0 617.673 1.940 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000084394978 562742945 /nfs/dbraw/zinc/74/29/45/562742945.db2.gz NUTWTXPQUHCSIQ-RANFDZFISA-N -1 0 617.673 1.940 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000084394982 562742953 /nfs/dbraw/zinc/74/29/53/562742953.db2.gz NUTWTXPQUHCSIQ-CRABUZMXSA-N -1 0 617.673 1.940 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000084394987 562742922 /nfs/dbraw/zinc/74/29/22/562742922.db2.gz NUTWTXPQUHCSIQ-JPZYZESESA-N -1 0 617.673 1.940 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000084403286 562742921 /nfs/dbraw/zinc/74/29/21/562742921.db2.gz OELDCURTHVZPPB-FQEVSTJZSA-N -1 0 543.588 1.614 1 0 KDAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCNC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000084403287 562742914 /nfs/dbraw/zinc/74/29/14/562742914.db2.gz OELDCURTHVZPPB-HXUWFJFHSA-N -1 0 543.588 1.614 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(COC(=O)Nc4ccc(Cl)cc4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084586961 562743448 /nfs/dbraw/zinc/74/34/48/562743448.db2.gz IBGILPJRMGKDOX-CLBHIWRBSA-N -1 0 686.021 1.135 1 0 KDAFRM COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](OC(C)C)[C@@H]1OC(C)C ZINC000084603689 562744224 /nfs/dbraw/zinc/74/42/24/562744224.db2.gz DDTILYYEKMXGSN-XCPBYIKRSA-N -1 0 608.589 1.677 1 0 KDAFRM COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](OC(C)C)[C@@H]1OC(C)C ZINC000084603694 562744222 /nfs/dbraw/zinc/74/42/22/562744222.db2.gz DDTILYYEKMXGSN-WJXSMWEMSA-N -1 0 608.589 1.677 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(C4(NC(=O)Nc5ccccc5)CCCCC4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084616683 562744637 /nfs/dbraw/zinc/74/46/37/562744637.db2.gz PYFFVJZTUPKTMJ-JQCWYICMSA-N -1 0 718.711 1.714 1 0 KDAFRM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(OS(=O)(=O)[O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000084617755 562744968 /nfs/dbraw/zinc/74/49/68/562744968.db2.gz BDUCLWUALSKWNM-MNPDLOSFSA-N -1 0 562.505 1.839 1 0 KDAFRM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(OS(=O)(=O)[O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000084617757 562744931 /nfs/dbraw/zinc/74/49/31/562744931.db2.gz BDUCLWUALSKWNM-WAABAYLZSA-N -1 0 562.505 1.839 1 0 KDAFRM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(OS(=O)(=O)[O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O ZINC000084617758 562744933 /nfs/dbraw/zinc/74/49/33/562744933.db2.gz BDUCLWUALSKWNM-HKTJVKLFSA-N -1 0 562.505 1.839 1 0 KDAFRM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(OS(=O)(=O)[O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O ZINC000084617760 562744943 /nfs/dbraw/zinc/74/49/43/562744943.db2.gz BDUCLWUALSKWNM-AKAGGGOCSA-N -1 0 562.505 1.839 1 0 KDAFRM CCCc1cc(=O)c2c(OCc3cn(-c4ccc(O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)c(C(F)F)c4)nn3)cccc2o1 ZINC000084618196 562745082 /nfs/dbraw/zinc/74/50/82/562745082.db2.gz VHQXKDQAMMRCJY-FCFHHQJDSA-N -1 0 718.663 1.371 1 0 KDAFRM C[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N2CCOCC2)[C@H]1OC(=O)N1CCOCC1 ZINC000084619074 562745201 /nfs/dbraw/zinc/74/52/01/562745201.db2.gz YRGGPPBVBFHEBQ-APXYOUHJSA-N -1 0 658.613 1.736 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(COC(=O)Nc4ccc(Cl)c(Cl)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084619529 562745266 /nfs/dbraw/zinc/74/52/66/562745266.db2.gz TWBIZRZBSOREIG-CLBHIWRBSA-N -1 0 720.466 1.789 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(COC(=O)Nc4ccc(Cl)cc4Cl)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084619531 562745263 /nfs/dbraw/zinc/74/52/63/562745263.db2.gz HYVNRNLUBUITRC-CLBHIWRBSA-N -1 0 720.466 1.789 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(COc4c(Cl)cccc4Cl)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084632255 562745477 /nfs/dbraw/zinc/74/54/77/562745477.db2.gz DVRAPGFSODJWNB-PCHNECFRSA-N -1 0 677.441 1.619 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(-c4cccc(NC(=O)c5ccccc5)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000084635592 562746221 /nfs/dbraw/zinc/74/62/21/562746221.db2.gz RIIPMTXKEIKBPP-LJGAKXFRSA-N -1 0 697.648 1.653 1 0 KDAFRM Nn1c(CS(=O)(=O)Nc2ccccc2)nnc1CS(=O)(=O)c1c[n-]cc1S(=O)(=O)c1ccccc1 ZINC000084654007 562747122 /nfs/dbraw/zinc/74/71/22/562747122.db2.gz GXJDIJUEJIJVPU-UHFFFAOYSA-N -1 0 536.617 1.069 1 0 KDAFRM Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]cc3S(=O)(=O)c3ccc(C)cc3)n2N)cc1 ZINC000084654008 562747101 /nfs/dbraw/zinc/74/71/01/562747101.db2.gz IZEKTINIJIYPPF-UHFFFAOYSA-N -1 0 564.671 1.685 1 0 KDAFRM O=S(=O)(Cc1nnc(CS(=O)(=O)c2cn[n-]c2S(=O)(=O)c2ccccc2)o1)Nc1ccccc1 ZINC000084655392 562747480 /nfs/dbraw/zinc/74/74/80/562747480.db2.gz AOOMAJUKYLBCPB-UHFFFAOYSA-N -1 0 523.574 1.541 1 0 KDAFRM O=C([O-])[C@@H]1CSc2c(-c3cn([C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)nn3)c(Cc3cccc4ccccc43)c(Br)c(=O)n21 ZINC000084668930 562747836 /nfs/dbraw/zinc/74/78/36/562747836.db2.gz YAILUEIFBFUGDJ-UEDMNHLFSA-N -1 0 615.462 1.956 1 0 KDAFRM Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3cn[n-]c3S(=O)(=O)c3ccc(C)cc3)n2N)cc1 ZINC000084709488 562750333 /nfs/dbraw/zinc/75/03/33/562750333.db2.gz ZGAHQGJQHQUURS-UHFFFAOYSA-N -1 0 565.659 1.080 1 0 KDAFRM Nn1c(CS(=O)(=O)Nc2ccc(Cl)cc2)nnc1CS(=O)(=O)c1cn[n-]c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000084729329 562751478 /nfs/dbraw/zinc/75/14/78/562751478.db2.gz OVFQJBSTATXABE-UHFFFAOYSA-N -1 0 606.495 1.770 1 0 KDAFRM C[C@H](CC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000084849156 562753075 /nfs/dbraw/zinc/75/30/75/562753075.db2.gz FLCYLDUFOVBENV-SRNOMOOLSA-N -1 0 501.686 1.978 1 0 KDAFRM CCCCOC(=O)[C@@H]1O[C@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000085487692 560074896 /nfs/dbraw/zinc/07/48/96/560074896.db2.gz ZLDBWIBQNJCHKH-ABMICEGHSA-N -1 0 502.472 1.401 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(-c4cccc(O)c4)cc4c(c3O[C@@H](O)[C@@H]21)N[C@H]1C=C[C@]2(C(=O)[O-])O[C@@]1(O4)[C@H](O)[C@@H](O)[C@@H]2O ZINC000085488389 291719736 /nfs/dbraw/zinc/71/97/36/291719736.db2.gz MYZKEMXBCCZZNX-BNOSSVBUSA-N -1 0 635.578 1.380 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(-c4cccc(O)c4)cc4c(c3OC[C@@H]21)N[C@@H]1C=C[C@]2(C(=O)[O-])O[C@@]1(O4)[C@H](O)[C@@H](O)[C@@H]2O ZINC000085488413 291714492 /nfs/dbraw/zinc/71/44/92/291714492.db2.gz BHGBHJWUZQVTNC-INKDCMLMSA-N -1 0 663.632 1.596 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(-c4cccc(O)c4)cc4c(c3O[C@@H](O)[C@@H]21)NC[C@@]1(O4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000085488487 565124446 /nfs/dbraw/zinc/12/44/46/565124446.db2.gz RODUENRKELYCJU-JNESXFNUSA-N -1 0 611.556 1.071 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(-c4cccc(O)c4)cc4c(c3OC[C@@H]21)NC[C@@]1(O4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000085488497 291714471 /nfs/dbraw/zinc/71/44/71/291714471.db2.gz BOQLKHYCTLEMLF-OACQHONRSA-N -1 0 639.610 1.288 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(-c4ccccc4)cc4c(c3OC[C@@H]21)NC[C@@]1(O4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000085488537 565124424 /nfs/dbraw/zinc/12/44/24/565124424.db2.gz STOQZSKZDBJPFX-OACQHONRSA-N -1 0 623.611 1.582 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(-c4cccc(O)c4)cc4c(c3OC[C@@H]21)NC[C@@]1(O4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000085488543 560075691 /nfs/dbraw/zinc/07/56/91/560075691.db2.gz MVOGXVGMNVEDFV-OQRWHVHTSA-N -1 0 595.557 1.753 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)O[C@H](O)[C@@H]21 ZINC000085488549 291714816 /nfs/dbraw/zinc/71/48/16/291714816.db2.gz LJJMVFLCCUQHMW-DGTHWAGISA-N -1 0 612.584 1.105 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3cccc(O)c3)O[C@H](O)[C@@H]21 ZINC000085488553 291719737 /nfs/dbraw/zinc/71/97/37/291719737.db2.gz FGZASTDNHBVHMF-WLJOGCKOSA-N -1 0 584.530 1.276 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(cc(O[C@]4(CO)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)OC[C@@H]21 ZINC000085488559 291714814 /nfs/dbraw/zinc/71/48/14/291714814.db2.gz XVJDKOYCULEPOX-SBGZYQNBSA-N -1 0 626.611 1.149 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3cccc(O)c3)OC[C@@H]21 ZINC000085488570 291714817 /nfs/dbraw/zinc/71/48/17/291714817.db2.gz IYYJNQGLFVPGEA-KVKHBKEOSA-N -1 0 612.584 1.492 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@]4(CO)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3cccc(O)c3)OC[C@@H]21 ZINC000085488571 560075717 /nfs/dbraw/zinc/07/57/17/560075717.db2.gz PTECSOWHZCYICV-LRFLTRQUSA-N -1 0 598.557 1.320 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)O[C@H](O)[C@@H]21 ZINC000085488602 291719733 /nfs/dbraw/zinc/71/97/33/291719733.db2.gz SZPLCFCXDLTUOA-WLJOGCKOSA-N -1 0 568.531 1.570 1 0 biogenic,in-vitro KDAFRM COc1cc(CCO)c2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)OC[C@@H]21 ZINC000085488616 560075713 /nfs/dbraw/zinc/07/57/13/560075713.db2.gz COLRGIIRFNZLSY-KVKHBKEOSA-N -1 0 596.585 1.786 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@]4(CO)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)OC[C@@H]21 ZINC000085488618 560075697 /nfs/dbraw/zinc/07/56/97/560075697.db2.gz PRZFYCXHNRZZSE-LRFLTRQUSA-N -1 0 582.558 1.614 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3cccc(O)c3)OC[C@@H]21 ZINC000085488624 291719730 /nfs/dbraw/zinc/71/97/30/291719730.db2.gz DMQYQLRJKJBKLP-LAIYBJMTSA-N -1 0 568.531 1.957 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3cc(Cc4ccccc4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3O[C@H](O)[C@@H]21 ZINC000085488632 291720505 /nfs/dbraw/zinc/72/05/05/291720505.db2.gz PZAFWNBCNQUZMM-KEAHEXMESA-N -1 0 582.558 1.494 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3cc(CCc4ccccc4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3O[C@H](O)[C@@H]21 ZINC000085488647 560075688 /nfs/dbraw/zinc/07/56/88/560075688.db2.gz YLZQZFPJGGPFDF-AZKCWLPVSA-N -1 0 596.585 1.688 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3C(C)C)O[C@H](O)[C@@H]21 ZINC000085488658 560075715 /nfs/dbraw/zinc/07/57/15/560075715.db2.gz FDGINCLBEQJQCN-ZGCDVMINSA-N -1 0 534.514 1.026 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(CCC(C)C)cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3O[C@H](O)[C@@H]21 ZINC000085488671 291719728 /nfs/dbraw/zinc/71/97/28/291719728.db2.gz ZXOBNCFMMWJRRE-NOZJMPJKSA-N -1 0 562.568 1.492 1 0 biogenic,in-vitro KDAFRM CCc1cc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc2c1[C@@H]1Oc3c(ccc(OC)c3OC)[C@@H]1CO2 ZINC000085488705 291703053 /nfs/dbraw/zinc/70/30/53/291703053.db2.gz YASLDJVPZBRNGV-ZEYBFZIUSA-N -1 0 504.488 1.147 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3C(C)C)OC[C@@H]21 ZINC000085488711 560075701 /nfs/dbraw/zinc/07/57/01/560075701.db2.gz WHAXIXRVKPUSSZ-ZAXCAOJJSA-N -1 0 518.515 1.708 1 0 biogenic,in-vitro KDAFRM CNC(=[NH2+])NCOc1cc(C(=O)[O-])c(N[C@H](C)CCC(C)C)cc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000085489710 565125099 /nfs/dbraw/zinc/12/50/99/565125099.db2.gz SYAPZEBQCYYIIT-XZLVVIHNSA-N -1 0 694.735 1.468 1 0 biogenic,in-vitro KDAFRM COc1cc(C(=O)OC[C@H]2O[C@@H](Oc3ccc(C(=O)[O-])c4c3OCCC4)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c(OCCc2ccccc2)c1O ZINC000085489756 291714073 /nfs/dbraw/zinc/71/40/73/291714073.db2.gz QSRBDYSYYWTTDQ-IHMUFXAHSA-N -1 0 642.610 1.795 1 0 biogenic,in-vitro KDAFRM COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000085489765 291714085 /nfs/dbraw/zinc/71/40/85/291714085.db2.gz SUVIYOHBIUFAQT-DKWKCZLWSA-N -1 0 616.572 1.478 1 0 biogenic,in-vitro KDAFRM COc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000085489800 291714079 /nfs/dbraw/zinc/71/40/79/291714079.db2.gz LXNAEKSOHJEECS-YKONGUHWSA-N -1 0 600.573 1.773 1 0 biogenic,in-vitro KDAFRM COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(C)c3c(=O)cc(CC(C)=O)oc32)ccc1O ZINC000085491513 291713692 /nfs/dbraw/zinc/71/36/92/291713692.db2.gz BRMXVUVCULYUAM-NMDNMKATSA-N -1 0 570.547 1.432 1 0 biogenic,in-vitro KDAFRM COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](c3c([O-])cc(C)c4c(=O)cc(CC(C)=O)oc43)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O ZINC000085491520 291713183 /nfs/dbraw/zinc/71/31/83/291713183.db2.gz UKNADBIAOPDTMD-DHTPDFOQSA-N -1 0 570.547 1.432 1 0 biogenic,in-vitro KDAFRM CC(=O)OC[C@H]1O[C@H](c2c([O-])ccc3c2O[C@@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000085493428 291687459 /nfs/dbraw/zinc/68/74/59/291687459.db2.gz BWDZHNODMVBAFZ-NVYGHHJWSA-N -1 0 502.472 1.110 1 0 biogenic,in-vitro KDAFRM CN[C@H](C(=O)[O-])C(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@@H](OCCc2ccccc2)[C@H](O)[C@H]1O ZINC000085504383 291708351 /nfs/dbraw/zinc/70/83/51/291708351.db2.gz YLGUTDOGJARMCP-CWZAHQLQSA-N -1 0 635.622 1.835 1 0 biogenic,in-vitro KDAFRM O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](OCCc2ccccc2)[C@@](O)(CO)[C@H]1O ZINC000085504392 565129380 /nfs/dbraw/zinc/12/93/80/565129380.db2.gz OTEJHKFKOLBQAW-BOPGGASKSA-N -1 0 636.606 1.999 1 0 biogenic,in-vitro KDAFRM O=C([O-])[C@H](O)C(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](OCCc2ccccc2)[C@H](O)[C@H]1O ZINC000085504398 565129419 /nfs/dbraw/zinc/12/94/19/565129419.db2.gz JURPUARAUDVBAX-ZBGOHBHVSA-N -1 0 622.579 1.608 1 0 biogenic,in-vitro KDAFRM CC(C)C[C@H](O)[C@]1(O)[C@H](O)[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@@H](COC(=O)CC(=O)[O-])[C@@H]1O ZINC000085504466 291693551 /nfs/dbraw/zinc/69/35/51/291693551.db2.gz NVNMCBKEADWKGI-CMJQLJMPSA-N -1 0 588.562 1.147 1 0 biogenic,in-vitro KDAFRM CC(C)CCO[C@@H]1[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@@H](COC(=O)CC(=O)[O-])[C@H](O)[C@]1(O)CO ZINC000085504474 565129396 /nfs/dbraw/zinc/12/93/96/565129396.db2.gz NHOJEECVUXBBRE-IJKWVBNESA-N -1 0 602.589 1.803 1 0 biogenic,in-vitro KDAFRM CC(C)c1cc2c(cc1O[C@H]1O[C@@H](COC(=O)CC(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)occ(-c1ccc(O)cc1)c2=O ZINC000085504496 291694628 /nfs/dbraw/zinc/69/46/28/291694628.db2.gz NEISUGUGYZGXNB-NBBGBEJASA-N -1 0 544.509 1.493 1 0 biogenic,in-vitro KDAFRM O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(OC5CCCC5)cc4)cc(=O)c3c(O)c2OCO)[C@H](O)[C@H](O)[C@@H]1O ZINC000085506492 560074555 /nfs/dbraw/zinc/07/45/55/560074555.db2.gz RVNHVRGWPUXRKI-RHMRMONISA-N -1 0 560.508 1.087 1 0 biogenic,in-vitro KDAFRM COc1ccc(-c2cc(=O)c3c(O)c(OCc4cccc(O)c4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1 ZINC000085506502 560074516 /nfs/dbraw/zinc/07/45/16/560074516.db2.gz RRUVLTWCKICMNQ-YWDHUMEGSA-N -1 0 582.514 1.730 1 0 biogenic,in-vitro KDAFRM COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O ZINC000085506503 560074562 /nfs/dbraw/zinc/07/45/62/560074562.db2.gz FHIUYQXNGNPDGH-RHMRMONISA-N -1 0 544.509 1.767 1 0 biogenic,in-vitro KDAFRM COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1 ZINC000085506510 560074541 /nfs/dbraw/zinc/07/45/41/560074541.db2.gz RIGSBCREMHPVGV-RHMRMONISA-N -1 0 574.535 1.477 1 0 biogenic,in-vitro KDAFRM COC(=O)C1=C[C@@H]2CCC=C[C@@H]([C@@H]2O[C@]2(CO)O[C@H](CO)[C@]34OC(CCCO)=c5[nH]c([C@H](C)C6CCCCC6)cc5=C3CC[C@@]2(O)[C@H]4O)[C@@H]1CC(=O)[O-] ZINC000085507177 291709126 /nfs/dbraw/zinc/70/91/26/291709126.db2.gz IDDFQVKCAQOMGQ-XDYARSRESA-N -1 0 740.867 1.422 1 0 biogenic,in-vitro KDAFRM COC(=O)C1=C[C@@H]2CCC=C[C@@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@]34OC(CCCO)=c5[nH]c([C@H](C)C6CCCC6)cc5=C3CC[C@@]2(O)[C@H]4O)[C@@H]1CC(=O)[O-] ZINC000085507196 291709119 /nfs/dbraw/zinc/70/91/19/291709119.db2.gz YYKHJHMXRLIWPV-YMOARIKDSA-N -1 0 696.814 1.669 1 0 biogenic,in-vitro KDAFRM CCC1([C@]2(SC[C@H](NC(=O)CC[C@](O)(NC[NH2+]C)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]3CC(Cc4ccncc4)=C[C@H]4C(=O)OC2=C43)CCCC1 ZINC000085507483 291695768 /nfs/dbraw/zinc/69/57/68/291695768.db2.gz VXXZGUQVXFFIPO-RFAOAYQVSA-N -1 0 743.880 1.558 1 0 biogenic,in-vitro KDAFRM CCC1([C@@H](SC[C@H](NC(=O)CC[C@](O)(NC[NH2+]C)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C2=C3CCC(Cc4ccncc4)=C[C@H]3C(=O)O2)CCCC1 ZINC000085507507 291695451 /nfs/dbraw/zinc/69/54/51/291695451.db2.gz RWKMJWDXFAWRRP-SOSMGHJPSA-N -1 0 717.842 1.168 1 0 biogenic,in-vitro KDAFRM CCC1([C@]2(SC[C@H](NC(=O)CC[C@@]([NH3+])(O)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C=C[C@H]3CC(Cc4ccncc4)=C[C@H]4C(=O)OC2=C43)CCCC1 ZINC000085507515 565131031 /nfs/dbraw/zinc/13/10/31/565131031.db2.gz UTGBQJBHGJJKJZ-DPGABVHUSA-N -1 0 698.795 1.526 1 0 biogenic,in-vitro KDAFRM CCC1([C@]2(SC[C@H](NC(=O)CC[C@@]([NH3+])(O)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]3CC(Cc4ccncc4)=C[C@H]4C(=O)OC2=C43)CCCC1 ZINC000085507519 291695746 /nfs/dbraw/zinc/69/57/46/291695746.db2.gz MKBVSRIFVKJKDS-DPGABVHUSA-N -1 0 700.811 1.750 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@](O)(CCC(=O)N[C@@H](CS[C@@]12C=C[C@]3(CC(Cc4ccncc4)=C[C@H]4C(=O)OC1=C43)CCCCCC2)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507537 291727154 /nfs/dbraw/zinc/72/71/54/291727154.db2.gz OBBRTQVMNXHSKB-JVFZTCIASA-N -1 0 684.768 1.280 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@](O)(CCC(=O)N[C@@H](CS[C@@H]1CC2CCC(CC2)C[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507538 291727146 /nfs/dbraw/zinc/72/71/46/291727146.db2.gz PRSYXYXGDBLUFM-KXPQGOMQSA-N -1 0 686.784 1.216 1 0 biogenic,in-vitro KDAFRM CCC1([C@@H](SC[C@H](NC(=O)CC[C@@]([NH3+])(O)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C2=C3CCC(Cc4ccncc4)=C[C@H]3C(=O)O2)CCCC1 ZINC000085507548 291695424 /nfs/dbraw/zinc/69/54/24/291695424.db2.gz JQGMKCMWUHQODA-BLSLFVNWSA-N -1 0 674.773 1.360 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@](O)(CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccncc3)=C(CCCO)[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507552 291727151 /nfs/dbraw/zinc/72/71/51/291727151.db2.gz RXQAQTABZWGOCG-FDMJWXFKSA-N -1 0 718.826 1.112 1 0 biogenic,in-vitro KDAFRM CNC[NH2+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507556 565131190 /nfs/dbraw/zinc/13/11/90/565131190.db2.gz OREKBFSTUXLFKB-QFEWAWLHSA-N -1 0 687.816 1.457 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@]12C=C[C@]3(CC(Cc4ccncc4)=C[C@H]4C(=O)OC1=C43)CCCCCC2)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507578 291726827 /nfs/dbraw/zinc/72/68/27/291726827.db2.gz NMDOVUQNVPZKJQ-VKDAMRLCSA-N -1 0 668.769 1.960 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CC2CCC(CC2)C[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507580 291726818 /nfs/dbraw/zinc/72/68/18/291726818.db2.gz MFBYVIRHRAKMSP-VIIYDIHXSA-N -1 0 670.785 1.896 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507583 291726820 /nfs/dbraw/zinc/72/68/20/291726820.db2.gz IMQRYAZFXGWUHJ-WIJVDRRUSA-N -1 0 644.747 1.650 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccncc3)=C(CCCO)[C@H]3C(=O)OC1=C32)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507584 291726811 /nfs/dbraw/zinc/72/68/11/291726811.db2.gz CLRFQMBGERHMLI-IDKJQBCOSA-N -1 0 702.827 1.792 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH2+]CNC)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507602 565131772 /nfs/dbraw/zinc/13/17/72/565131772.db2.gz PSOKEQKBZDOZCR-RTBVDHTKSA-N -1 0 673.789 1.067 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C=C[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507625 565131753 /nfs/dbraw/zinc/13/17/53/565131753.db2.gz DZGSCIXJDRGZTI-CMAMKLOSSA-N -1 0 628.704 1.036 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507627 565131690 /nfs/dbraw/zinc/13/16/90/565131690.db2.gz OYMRVWGQWWZCDA-CMAMKLOSSA-N -1 0 630.720 1.260 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH2+]CNC)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]2CC(Cc3ccccc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507634 565131838 /nfs/dbraw/zinc/13/18/38/565131838.db2.gz NSQBNTFEFDFBLR-KKMADSGTSA-N -1 0 672.801 1.672 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C1=C2CCC(Cc3ccncc3)=C(CCCO)[C@H]2C(=O)O1 ZINC000085507645 565131859 /nfs/dbraw/zinc/13/18/59/565131859.db2.gz GDQMBPGFGDFFNN-CCQZHJBQSA-N -1 0 662.762 1.012 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]2CC(Cc3ccccc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507660 565131758 /nfs/dbraw/zinc/13/17/58/565131758.db2.gz RPSXCVYGPJKYCW-BPIVUAJVSA-N -1 0 629.732 1.865 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH2+]CNC)C(=O)[O-])C(=O)NCC(=O)[O-])C1=C2CCC(Cc3ccncc3)=C[C@H]2C(=O)O1 ZINC000085507667 565131863 /nfs/dbraw/zinc/13/18/63/565131863.db2.gz RQTHJGVXLNJRAK-NAVOZUGXSA-N -1 0 631.752 1.359 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C=C[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507670 565131824 /nfs/dbraw/zinc/13/18/24/565131824.db2.gz VLAFIJUMANLTGV-YLRJSUJQSA-N -1 0 612.705 1.717 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507674 565131827 /nfs/dbraw/zinc/13/18/27/565131827.db2.gz NZNNGZYNOMEVOA-YLRJSUJQSA-N -1 0 614.721 1.941 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C1=C2CCC(Cc3ccccc3)=C[C@H]2C(=O)O1 ZINC000085507678 565131887 /nfs/dbraw/zinc/13/18/87/565131887.db2.gz BQEJURBDTCKGFK-XMLSHEPFSA-N -1 0 603.694 1.474 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C1=C2CCC(Cc3ccncc3)=C[C@H]2C(=O)O1 ZINC000085507686 560074384 /nfs/dbraw/zinc/07/43/84/560074384.db2.gz HZVCMZJEQLGHRV-CLAROIROSA-N -1 0 588.683 1.551 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C1=C2CCC(Cc3ccncc3)=C(CCCO)[C@H]2C(=O)O1 ZINC000085507693 565131891 /nfs/dbraw/zinc/13/18/91/565131891.db2.gz GGMNBLBXLOVUNG-QRXMYIDTSA-N -1 0 646.763 1.694 1 0 biogenic,in-vitro KDAFRM CCC1([C@]2(SC[C@H](NC(=O)CC[C@H]([NH2+]CNC)C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]3CC=C[C@H]4C(=O)OC2=C43)CCCC1 ZINC000085507697 565131667 /nfs/dbraw/zinc/13/16/67/565131667.db2.gz VFQQSAQDUDJNIJ-GYZBJEDDSA-N -1 0 636.768 1.230 1 0 biogenic,in-vitro KDAFRM CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH2+]CNC)C(=O)[O-])C(=O)NCC(=O)[O-])C1=C2CCC(Cc3ccccc3)=C[C@H]2C(=O)O1 ZINC000085507713 565131762 /nfs/dbraw/zinc/13/17/62/565131762.db2.gz GVLICLXVAGNBDJ-WSOYEBOPSA-N -1 0 630.764 1.964 1 0 biogenic,in-vitro KDAFRM CCC1([C@]2(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])CC[C@H]3CC=C[C@H]4C(=O)OC2=C43)CCCC1 ZINC000085507734 291695775 /nfs/dbraw/zinc/69/57/75/291695775.db2.gz JEQYDKNRDGWDIA-ACZWGVIWSA-N -1 0 593.699 1.422 1 0 biogenic,in-vitro KDAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC=C[C@H]3C(=O)OC1=C32)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000085507781 291726825 /nfs/dbraw/zinc/72/68/25/291726825.db2.gz NXQJCGHFBVXQAO-FLXSYLCISA-N -1 0 537.635 1.323 1 0 biogenic,in-vitro KDAFRM C[C@H]1CC[C@@H]2C[C@@H]3CC=C[C@H]4C(=O)OC(=C43)[C@]2(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C1 ZINC000085507787 560074208 /nfs/dbraw/zinc/07/42/08/560074208.db2.gz MQTHGDXJBDVYJK-PWLKPHFBSA-N -1 0 549.646 1.179 1 0 biogenic,in-vitro KDAFRM CCC1([C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C2=C3CCC=C[C@H]3C(=O)O2)CCCC1 ZINC000085507791 291695421 /nfs/dbraw/zinc/69/54/21/291695421.db2.gz QSHGHZMMQQBIAG-MSQSPTIYSA-N -1 0 551.662 1.713 1 0 biogenic,in-vitro KDAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC[C@H]2CC=C(CCCO)[C@H]3C(=O)OC1=C32 ZINC000085507794 560074254 /nfs/dbraw/zinc/07/42/54/560074254.db2.gz YXFBIFPQUSXBPB-ZSQOUVHHSA-N -1 0 581.688 1.076 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccc(NO)cc3)OC[C@@H]21 ZINC000085509321 565133281 /nfs/dbraw/zinc/13/32/81/565133281.db2.gz PBDNXMSOZCRQPM-PWCYZEGISA-N -1 0 655.609 1.986 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccc(N)nc3)OC[C@@H]21 ZINC000085509327 565133382 /nfs/dbraw/zinc/13/33/82/565133382.db2.gz QLLZVTKFEMJIPB-VZAJDNHASA-N -1 0 640.598 1.162 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3ccc(O[C@@H]4O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3OC3(CCC(=O)CC3)[C@@H]21 ZINC000085509347 565133290 /nfs/dbraw/zinc/13/32/90/565133290.db2.gz PHZMDNPMONHKRP-CRCGGIKDSA-N -1 0 630.599 1.400 1 0 biogenic,in-vitro KDAFRM COc1ccc2c(c1OC)O[C@H]1c3ccc(O[C@@H]4O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3OC3(CCCC3)[C@@H]21 ZINC000085509391 291720855 /nfs/dbraw/zinc/72/08/55/291720855.db2.gz JNLYDSVHOJMVJB-INOKCERNSA-N -1 0 602.589 1.831 1 0 biogenic,in-vitro KDAFRM CC(=O)c1c(C)c(O)c2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@H](O)CC[C@H]5CC=CO[C@@]45[C@H](O)[C@H]3O)c2c1O ZINC000085511552 560073819 /nfs/dbraw/zinc/07/38/19/560073819.db2.gz OIGVVZDZCAWWLI-JNVWQOKXSA-N -1 0 516.499 1.729 1 0 biogenic,in-vitro KDAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@]5(O)CCC[C@H]5CC[C@]4(O)[C@H](O)[C@H]3O)c2c1O ZINC000085511628 560073796 /nfs/dbraw/zinc/07/37/96/560073796.db2.gz LSPQQZKLAOTYNW-LQXHOTPXSA-N -1 0 502.516 1.636 1 0 biogenic,in-vitro KDAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC4CCCC4)[C@H](O)[C@H]3O)c2c1O ZINC000085511798 291692356 /nfs/dbraw/zinc/69/23/56/291692356.db2.gz KGYMKYXILRIOAC-UCJMBUIVSA-N -1 0 504.532 1.884 1 0 biogenic,in-vitro KDAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511820 560073615 /nfs/dbraw/zinc/07/36/15/560073615.db2.gz BLHNXYRQXVYDJH-KDLKHPTDSA-N -1 0 512.511 1.546 1 0 biogenic,in-vitro KDAFRM CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)[O-] ZINC000085897039 562753417 /nfs/dbraw/zinc/75/34/17/562753417.db2.gz WPCJIMNKFPGERC-HZWZLZKKSA-N -1 0 759.946 1.795 1 0 KDAFRM O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000095537524 562754403 /nfs/dbraw/zinc/75/44/03/562754403.db2.gz RITDPUPNZCETTH-CMDFPJPRSA-N -1 0 791.869 1.255 1 0 KDAFRM O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000095537525 562754415 /nfs/dbraw/zinc/75/44/15/562754415.db2.gz RITDPUPNZCETTH-IPKYDJNASA-N -1 0 791.869 1.255 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 ZINC000095538132 562754483 /nfs/dbraw/zinc/75/44/83/562754483.db2.gz YTPPPCLKJALCED-SGEPHUTMSA-N -1 0 792.910 1.234 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 ZINC000095538194 562754555 /nfs/dbraw/zinc/75/45/55/562754555.db2.gz YTPPPCLKJALCED-MTWZPNGPSA-N -1 0 792.910 1.234 1 0 KDAFRM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 ZINC000095538195 562754549 /nfs/dbraw/zinc/75/45/49/562754549.db2.gz RUMRSFFWBQFKDM-ABRMRKKTSA-N -1 0 806.937 1.408 1 0 KDAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCS(=O)(=O)[O-] ZINC000095538271 562754619 /nfs/dbraw/zinc/75/46/19/562754619.db2.gz PBTWZOFMDLMSBT-MZBLVXSRSA-N -1 0 779.958 1.390 1 0 KDAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCS(=O)(=O)[O-] ZINC000095538272 562754641 /nfs/dbraw/zinc/75/46/41/562754641.db2.gz PBTWZOFMDLMSBT-ABVIYVDXSA-N -1 0 779.958 1.390 1 0 KDAFRM CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)[O-] ZINC000095538273 562754646 /nfs/dbraw/zinc/75/46/46/562754646.db2.gz PBTWZOFMDLMSBT-IIZANFQQSA-N -1 0 779.958 1.390 1 0 KDAFRM CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)[O-] ZINC000095538274 562754628 /nfs/dbraw/zinc/75/46/28/562754628.db2.gz PBTWZOFMDLMSBT-VFFRCKCKSA-N -1 0 779.958 1.390 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000095538343 562754676 /nfs/dbraw/zinc/75/46/76/562754676.db2.gz FGRGBNKEYKXTEC-ABRMRKKTSA-N -1 0 806.937 1.408 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=S)o[n-]2)c1 ZINC000095538445 562754769 /nfs/dbraw/zinc/75/47/69/562754769.db2.gz CZVXRMPJUHIDKH-JONZOVCNSA-N -1 0 804.927 1.892 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=O)s[n-]2)c1 ZINC000095538496 562754866 /nfs/dbraw/zinc/75/48/66/562754866.db2.gz UKPWWJQAZULBAL-JONZOVCNSA-N -1 0 804.927 1.778 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000095538504 562754838 /nfs/dbraw/zinc/75/48/38/562754838.db2.gz GJFZGRKVQLFFMP-JONZOVCNSA-N -1 0 788.859 1.309 1 0 KDAFRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C(=O)NCCNC(=O)NCc2ccc(C(=O)[O-])cc2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000095539231 562754904 /nfs/dbraw/zinc/75/49/04/562754904.db2.gz SLASUOSJPVRJDB-BBJOTMRQSA-N -1 0 751.801 1.753 1 0 KDAFRM COc1ccc(-c2cc([O-])c3c(=O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc-3o2)cc1OCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000095539545 562755132 /nfs/dbraw/zinc/75/51/32/562755132.db2.gz CNMUTGICIHOIEX-QOXZMYEDSA-N -1 0 768.769 1.102 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095539655 562755194 /nfs/dbraw/zinc/75/51/94/562755194.db2.gz QUOWSRWNXBADEX-VZNYXHRGSA-N -1 0 749.866 1.813 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095539656 562755186 /nfs/dbraw/zinc/75/51/86/562755186.db2.gz QUOWSRWNXBADEX-GOGZTAQTSA-N -1 0 749.866 1.813 1 0 KDAFRM CNC(=O)c1c2cc(C3CC3)c(N(CCO[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@H](O)[C@@H]3O)S(C)(=O)=O)cc2oc1-c1ccc(F)cc1 ZINC000095540182 562755547 /nfs/dbraw/zinc/75/55/47/562755547.db2.gz XNMRNHNRJYYKNN-MWYPNJJNSA-N -1 0 752.671 1.385 1 0 KDAFRM CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000095541381 562756044 /nfs/dbraw/zinc/75/60/44/562756044.db2.gz DDXFWIZUNJIANR-ZDMRJSTNSA-N -1 0 808.037 1.430 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1ccc(O)cc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095542900 562756926 /nfs/dbraw/zinc/75/69/26/562756926.db2.gz WIVUQFWKEBZOBU-JONZOVCNSA-N -1 0 748.834 1.252 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095544007 562757571 /nfs/dbraw/zinc/75/75/71/562757571.db2.gz ALPUQHJLNNLOIY-IYBIRSQRSA-N -1 0 751.857 1.613 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095544008 562757570 /nfs/dbraw/zinc/75/75/70/562757570.db2.gz ALPUQHJLNNLOIY-WANRHDANSA-N -1 0 751.857 1.613 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095544632 562757749 /nfs/dbraw/zinc/75/77/49/562757749.db2.gz GQJARERQOLLEGX-YEQQBGSTSA-N -1 0 769.847 1.910 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095544633 562757764 /nfs/dbraw/zinc/75/77/64/562757764.db2.gz GQJARERQOLLEGX-WKORBPKJSA-N -1 0 769.847 1.910 1 0 KDAFRM C[C@H]1NC(=O)[C@@H]2Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@@H](C(=O)N2C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CCC(=O)[O-])NC1=O ZINC000095545351 562758030 /nfs/dbraw/zinc/75/80/30/562758030.db2.gz ATLDLNZCKIPECG-XMPIZRASSA-N -1 0 800.866 1.085 1 0 KDAFRM COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])NC(=O)[C@H](CCSC)NC=O ZINC000095546267 562758422 /nfs/dbraw/zinc/75/84/22/562758422.db2.gz NWMQELCAXVIKMJ-FSJACQRISA-N -1 0 845.054 1.210 1 0 KDAFRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC[S@](C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095547076 562758690 /nfs/dbraw/zinc/75/86/90/562758690.db2.gz VYTGBGCTBASQBI-RAZSQPOLSA-N -1 0 767.987 1.369 1 0 KDAFRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@H](CC[S@](C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095547078 562758687 /nfs/dbraw/zinc/75/86/87/562758687.db2.gz VYTGBGCTBASQBI-WVZQQCOESA-N -1 0 767.987 1.369 1 0 KDAFRM CC(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000095547080 562758683 /nfs/dbraw/zinc/75/86/83/562758683.db2.gz MDTYHWWIVXVMPW-JEEDQOFYSA-N -1 0 786.968 1.519 1 0 KDAFRM CCCCc1nc2c(c3ccccc3nc2N)n1Cc1ccc(CNC(=O)CCN2C(=O)C[C@@H](SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C2=O)cc1 ZINC000095547855 562758935 /nfs/dbraw/zinc/75/89/35/562758935.db2.gz POGPASCGQQHSIL-BIYCFNCWSA-N -1 0 817.926 1.302 1 0 KDAFRM O=C1[N-]C(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(CCOCCOCCOCCn3cc(CNS(=O)(=O)c4ccc(F)cc4)nn3)CC2)C(=O)N1 ZINC000095548838 562759534 /nfs/dbraw/zinc/75/95/34/562759534.db2.gz RWOLXJOULAGHOB-UHFFFAOYSA-N -1 0 794.863 1.617 1 0 KDAFRM CN(Cc1cn(CCOCCOCCOCCN2CCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)nn1)S(=O)(=O)c1ccc(F)cc1 ZINC000095548839 562759522 /nfs/dbraw/zinc/75/95/22/562759522.db2.gz JZIODDCGNMBMLB-UHFFFAOYSA-N -1 0 808.890 1.959 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCC1 ZINC000095548951 562759608 /nfs/dbraw/zinc/75/96/08/562759608.db2.gz LASZOZWSYSUVFR-WZJUEYCOSA-N -1 0 792.910 1.018 1 0 KDAFRM CCC(CC)(NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cn(-c2ccc(O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)c(C(F)F)c2)nn1 ZINC000095550336 562760122 /nfs/dbraw/zinc/76/01/22/562760122.db2.gz MATKKFLHLIRDQS-SDNBEEIMSA-N -1 0 781.763 1.204 1 0 KDAFRM COC(=O)c1nnn(-c2cccc(-c3cn(-c4ccc(O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)c(C(F)F)c4)nn3)c2)c1-c1ccccc1 ZINC000095550482 562760234 /nfs/dbraw/zinc/76/02/34/562760234.db2.gz ATIJUFVSOKDZIL-IXPSNVCNSA-N -1 0 779.710 1.435 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(CNC(=O)c4c(C)onc4-c4c(Cl)cccc4Cl)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095550494 562760238 /nfs/dbraw/zinc/76/02/38/562760238.db2.gz DKVPHNKCXOKVPJ-RDYKEVERSA-N -1 0 785.541 1.933 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000095550501 562760235 /nfs/dbraw/zinc/76/02/35/562760235.db2.gz UFYXNQKJIMNYRA-YYTVJKPMSA-N -1 0 750.894 1.299 1 0 KDAFRM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)[O-] ZINC000095550502 562760239 /nfs/dbraw/zinc/76/02/39/562760239.db2.gz RVHUTRSLKRCBPJ-YYTVJKPMSA-N -1 0 784.977 1.628 1 0 KDAFRM CCOC(=O)c1ccc(S(=O)(=O)NC2(c3cn(-c4ccc(O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)c(C(F)F)c4)nn3)CCCCC2)cc1 ZINC000095550529 562760262 /nfs/dbraw/zinc/76/02/62/562760262.db2.gz BGIQUNJNGPBSDI-BCOMLAIHSA-N -1 0 811.814 1.048 1 0 KDAFRM CCC(CC)(NC(=O)Nc1cnccc1C(F)(F)F)c1cn(-c2ccc(O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)c(C(F)F)c2)nn1 ZINC000095551019 562760291 /nfs/dbraw/zinc/76/02/91/562760291.db2.gz VTKWMMYDJIOACK-IVVPIUGZSA-N -1 0 775.685 1.984 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc([C@@H]4CCCC[C@@H]4NC(=O)Nc4cnccc4C(F)(F)F)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095551020 562760315 /nfs/dbraw/zinc/76/03/15/562760315.db2.gz VFFGFXPDVDDQTB-YJYGZANHSA-N -1 0 787.696 1.995 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc([C@H]4CCCC[C@@H]4NC(=O)Nc4cnccc4C(F)(F)F)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095551021 562760296 /nfs/dbraw/zinc/76/02/96/562760296.db2.gz VFFGFXPDVDDQTB-JLQACUDUSA-N -1 0 787.696 1.995 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc([C@@H]4CCCC[C@H]4NC(=O)Nc4cnccc4C(F)(F)F)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095551022 562760299 /nfs/dbraw/zinc/76/02/99/562760299.db2.gz VFFGFXPDVDDQTB-XVOSICRNSA-N -1 0 787.696 1.995 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc([C@H]4CCCC[C@H]4NC(=O)Nc4cnccc4C(F)(F)F)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095551023 562760314 /nfs/dbraw/zinc/76/03/14/562760314.db2.gz VFFGFXPDVDDQTB-YAEHHKORSA-N -1 0 787.696 1.995 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@H](C)C1 ZINC000095552286 562760615 /nfs/dbraw/zinc/76/06/15/562760615.db2.gz BZZBQDSQFCPKKX-PWMMPXSUSA-N -1 0 695.774 1.563 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)C3CCC3)n(-c3ccccc3)n2)CC1 ZINC000095552615 562760707 /nfs/dbraw/zinc/76/07/07/562760707.db2.gz UZXYCDYCNCJWCH-NRFANRHFSA-N -1 0 569.615 1.884 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@H]1C ZINC000095552993 562760891 /nfs/dbraw/zinc/76/08/91/562760891.db2.gz ASSNEGLNYGDZRV-PWMMPXSUSA-N -1 0 695.774 1.563 1 0 KDAFRM CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CC[P@@](=O)([O-])[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O ZINC000095553019 562760842 /nfs/dbraw/zinc/76/08/42/562760842.db2.gz QLXCQCDAJMULKF-ZJZGAYNASA-N -1 0 603.657 1.119 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CC[C@H](C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 ZINC000095553356 562760927 /nfs/dbraw/zinc/76/09/27/562760927.db2.gz POCASLQMEDGEJT-DHLKQENFSA-N -1 0 681.747 1.032 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CC[C@@H](C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 ZINC000095553357 562760929 /nfs/dbraw/zinc/76/09/29/562760929.db2.gz POCASLQMEDGEJT-RDGATRHJSA-N -1 0 681.747 1.032 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)(C)C)n(-c3ccccc3)n2)CC1 ZINC000095553771 562761010 /nfs/dbraw/zinc/76/10/10/562761010.db2.gz PPEVADRKIKQWMG-ZCYQVOJMSA-N -1 0 683.763 1.421 1 0 KDAFRM CCOC(=O)N1CCC(NC(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 ZINC000095554949 562761421 /nfs/dbraw/zinc/76/14/21/562761421.db2.gz JUFWUUHBGQZSBC-BDYUSTAISA-N -1 0 695.774 1.611 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@@H]1C ZINC000095555180 562761492 /nfs/dbraw/zinc/76/14/92/562761492.db2.gz ASSNEGLNYGDZRV-LNBJVWSJSA-N -1 0 695.774 1.563 1 0 KDAFRM O=C([O-])CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000095555464 562761544 /nfs/dbraw/zinc/76/15/44/562761544.db2.gz URDUOFVCSQBEKB-JDXGNMNLSA-N -1 0 713.792 1.859 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)C)n(-c3ccccc3)n2)CC1 ZINC000095555588 562761576 /nfs/dbraw/zinc/76/15/76/562761576.db2.gz VSFXRBVCYLPUQF-ZCYQVOJMSA-N -1 0 669.736 1.031 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N(CC)CC)n(-c3ccccc3)n2)CC1 ZINC000095555618 562761617 /nfs/dbraw/zinc/76/16/17/562761617.db2.gz VXUSTAVEUKPFFH-NRFANRHFSA-N -1 0 586.646 1.383 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N(C)C3CCC3)n(-c3ccccc3)n2)CC1 ZINC000095555894 562761652 /nfs/dbraw/zinc/76/16/52/562761652.db2.gz IEACTJWJCQIDST-BDYUSTAISA-N -1 0 695.774 1.517 1 0 KDAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@]3(C2)C[C@@H](CNC2N=CC=N2)N(C(=O)OCc2ccccc2)C3)C(=O)[O-])c(C)c1 ZINC000095556368 562761712 /nfs/dbraw/zinc/76/17/12/562761712.db2.gz MDRYYKCWQBJPBJ-RUANNXQISA-N -1 0 667.745 1.414 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@@H](C)C1 ZINC000095557053 562761952 /nfs/dbraw/zinc/76/19/52/562761952.db2.gz BZZBQDSQFCPKKX-LNBJVWSJSA-N -1 0 695.774 1.563 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC3CCC3)n(-c3ccccc3)n2)CC1 ZINC000095557369 562762178 /nfs/dbraw/zinc/76/21/78/562762178.db2.gz BXWGANDXCUPEHZ-BDYUSTAISA-N -1 0 695.774 1.422 1 0 KDAFRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000095557788 562762197 /nfs/dbraw/zinc/76/21/97/562762197.db2.gz YECZTWAVNZFGBR-DQEYMECFSA-N -1 0 646.719 1.745 1 0 KDAFRM CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)[O-])NC(C)=O ZINC000095559241 562762693 /nfs/dbraw/zinc/76/26/93/562762693.db2.gz ASKWDDGJYFQRDC-KRCBVYEFSA-N -1 0 771.655 1.023 1 0 KDAFRM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC000095560053 562762940 /nfs/dbraw/zinc/76/29/40/562762940.db2.gz KYZSOPXRXQKHLD-YDPTYEFTSA-N -1 0 698.777 1.471 1 0 KDAFRM CC[C@H](C)[C@@H](NC(=O)[C@H](O)Cc1cc(Br)c([O-])c(Br)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](OS(=O)(=O)[O-])C[C@@H]21 ZINC000095560676 562763143 /nfs/dbraw/zinc/76/31/43/562763143.db2.gz CZGJMJRVWATCJK-GPSFYHMWSA-N -1 0 812.579 1.689 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](O)CC(C)C)C(=O)[O-] ZINC000095560900 562763186 /nfs/dbraw/zinc/76/31/86/562763186.db2.gz UCSMRKJOSWFEIM-JMGLENBKSA-N -1 0 548.681 1.042 1 0 KDAFRM CC[C@H](C)[C@@H](NC(=O)[C@H](O)Cc1cc(Cl)c([O-])c(Br)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](OS(=O)(=O)[O-])C[C@@H]21 ZINC000095561932 562763559 /nfs/dbraw/zinc/76/35/59/562763559.db2.gz WGFZRUTWFMYTPD-GPSFYHMWSA-N -1 0 768.128 1.579 1 0 KDAFRM CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]3O)nc2)cc1 ZINC000095564975 562764551 /nfs/dbraw/zinc/76/45/51/562764551.db2.gz UJWKCNOGFMSHNK-VZGLXOSZSA-N -1 0 550.973 1.276 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Cl)[nH]c3ccccc32)NC1=O ZINC000095564992 562764550 /nfs/dbraw/zinc/76/45/50/562764550.db2.gz KUGRNFHLGVKKNX-OJKLRCKNSA-N -1 0 645.157 1.484 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Cl)[nH]c3ccccc32)NC1=O ZINC000095564994 562764528 /nfs/dbraw/zinc/76/45/28/562764528.db2.gz DLCXMDVICFLWKF-SKWRHMBASA-N -1 0 631.130 1.094 1 0 KDAFRM Cc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC1=O ZINC000095565040 562764557 /nfs/dbraw/zinc/76/45/57/562764557.db2.gz AFWWJMMDFGQPEJ-FRINSPPISA-N -1 0 636.750 1.284 1 0 KDAFRM CSC(C)(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC(=O)[C@@H](C(C)C)NC1=O ZINC000095565041 562764561 /nfs/dbraw/zinc/76/45/61/562764561.db2.gz QHUWNASQBGUQBQ-OJKLRCKNSA-N -1 0 721.675 1.689 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC1=O ZINC000095565042 562764556 /nfs/dbraw/zinc/76/45/56/562764556.db2.gz PVNIWDHSTCBNLI-SKWRHMBASA-N -1 0 675.581 1.203 1 0 KDAFRM CSC(C)(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Cl)[nH]c3ccccc32)NC(=O)[C@@H](C(C)C)NC1=O ZINC000095565043 562764563 /nfs/dbraw/zinc/76/45/63/562764563.db2.gz HPPWWHKGYGQMCU-OJKLRCKNSA-N -1 0 677.224 1.580 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC1=O ZINC000095565169 562764575 /nfs/dbraw/zinc/76/45/75/562764575.db2.gz HDYLJSQDZSOERS-HQLPGYIISA-N -1 0 701.619 1.738 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC1=O ZINC000095565170 562764581 /nfs/dbraw/zinc/76/45/81/562764581.db2.gz RJJRJXVEARHGKW-OJKLRCKNSA-N -1 0 689.608 1.594 1 0 KDAFRM O=C([O-])c1ccc(COC(=O)N[C@@H](CCC(=O)N2CCN(c3cccc(NC4=[NH+]CCCN4)c3)CC2)C(=O)[O-])cc1 ZINC000095572527 562769420 /nfs/dbraw/zinc/76/94/20/562769420.db2.gz MRXQBHPWVQTUKZ-QHCPKHFHSA-N -1 0 566.615 1.954 1 0 KDAFRM NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095581602 562772207 /nfs/dbraw/zinc/77/22/07/562772207.db2.gz JMDPKADDGHJVPB-ZEQRLZLVSA-N -1 0 608.544 1.991 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)[O-] ZINC000095581891 562772336 /nfs/dbraw/zinc/77/23/36/562772336.db2.gz NFNHDUDACIDJAE-GQNWZVDISA-N -1 0 754.863 1.804 1 0 KDAFRM CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@@H]21 ZINC000095581938 562772375 /nfs/dbraw/zinc/77/23/75/562772375.db2.gz SXINIBSRVLYPQQ-NHWLDIGBSA-N -1 0 606.785 1.345 1 0 KDAFRM CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)[C@@H]2SC(S(N)(=O)=O)=C[C@@H]21 ZINC000095581939 562772389 /nfs/dbraw/zinc/77/23/89/562772389.db2.gz SXINIBSRVLYPQQ-IOUUYZNASA-N -1 0 606.785 1.345 1 0 KDAFRM CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@H]21 ZINC000095581940 562772350 /nfs/dbraw/zinc/77/23/50/562772350.db2.gz SXINIBSRVLYPQQ-KSXGVPSKSA-N -1 0 606.785 1.345 1 0 KDAFRM CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)[C@@H]2SC(S(N)(=O)=O)=C[C@H]21 ZINC000095581941 562772358 /nfs/dbraw/zinc/77/23/58/562772358.db2.gz SXINIBSRVLYPQQ-GWUGYUACSA-N -1 0 606.785 1.345 1 0 KDAFRM NC(=[NH2+])NCCC[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095586364 562773959 /nfs/dbraw/zinc/77/39/59/562773959.db2.gz VYFQBNJGKLFTOB-HNRHMXCFSA-N -1 0 824.921 1.937 1 0 KDAFRM CC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)[O-] ZINC000095595236 562776680 /nfs/dbraw/zinc/77/66/80/562776680.db2.gz FTWGTMPRYGKKHB-NTLWEQJWSA-N -1 0 505.634 1.315 1 0 KDAFRM CC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@@H](O)S(=O)(=O)[O-] ZINC000095595237 562776654 /nfs/dbraw/zinc/77/66/54/562776654.db2.gz FTWGTMPRYGKKHB-WKRCXCSHSA-N -1 0 505.634 1.315 1 0 KDAFRM CC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)[O-] ZINC000095595238 562776651 /nfs/dbraw/zinc/77/66/51/562776651.db2.gz FTWGTMPRYGKKHB-RYLXDESZSA-N -1 0 505.634 1.315 1 0 KDAFRM CC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@H](O)S(=O)(=O)[O-] ZINC000095595239 562776658 /nfs/dbraw/zinc/77/66/58/562776658.db2.gz FTWGTMPRYGKKHB-OEMYIYORSA-N -1 0 505.634 1.315 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2NC1=O ZINC000095597503 562777262 /nfs/dbraw/zinc/77/72/62/562777262.db2.gz LPRBCIUESZSWIZ-DOGJVZJDSA-N -1 0 628.723 1.162 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2NC1=O ZINC000095597504 562777228 /nfs/dbraw/zinc/77/72/28/562777228.db2.gz LPRBCIUESZSWIZ-BWQTWIHOSA-N -1 0 628.723 1.162 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2NC1=O ZINC000095597505 562777247 /nfs/dbraw/zinc/77/72/47/562777247.db2.gz LPRBCIUESZSWIZ-FNLLMDPYSA-N -1 0 628.723 1.162 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2NC1=O ZINC000095597506 562777233 /nfs/dbraw/zinc/77/72/33/562777233.db2.gz LPRBCIUESZSWIZ-YBGMWJSUSA-N -1 0 628.723 1.162 1 0 KDAFRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(I)cc(OC)n1 ZINC000095598155 562777363 /nfs/dbraw/zinc/77/73/63/562777363.db2.gz MBKBRLAPOVKBPR-UHFFFAOYSA-N -1 0 506.278 1.777 1 0 KDAFRM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)[O-])OCc1ccccc1 ZINC000095598423 562777401 /nfs/dbraw/zinc/77/74/01/562777401.db2.gz JRFNCWJMGHZHFL-MXBUBSDBSA-N -1 0 525.624 1.469 1 0 in-vitro KDAFRM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@@H](O)S(=O)(=O)[O-])OCc1ccccc1 ZINC000095598424 562777391 /nfs/dbraw/zinc/77/73/91/562777391.db2.gz JRFNCWJMGHZHFL-NVJIOZQYSA-N -1 0 525.624 1.469 1 0 KDAFRM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)[O-])OCc1ccccc1 ZINC000095598425 562777407 /nfs/dbraw/zinc/77/74/07/562777407.db2.gz JRFNCWJMGHZHFL-IHFIDZABSA-N -1 0 525.624 1.469 1 0 in-vitro KDAFRM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@H](O)S(=O)(=O)[O-])OCc1ccccc1 ZINC000095598426 562777395 /nfs/dbraw/zinc/77/73/95/562777395.db2.gz JRFNCWJMGHZHFL-QTDGGUCWSA-N -1 0 525.624 1.469 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NC ZINC000095606276 562781998 /nfs/dbraw/zinc/78/19/98/562781998.db2.gz QUXIPOPPZOTUGW-DZLMUYNVSA-N -1 0 792.780 1.077 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095606788 562782422 /nfs/dbraw/zinc/78/24/22/562782422.db2.gz XGYPBUXSGXUJCL-YTAHCYASSA-N -1 0 761.873 1.975 1 0 KDAFRM CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095606789 562782405 /nfs/dbraw/zinc/78/24/05/562782405.db2.gz XGYPBUXSGXUJCL-IQFSQGSMSA-N -1 0 761.873 1.975 1 0 KDAFRM Cc1cc(O)cc(C)c1C[C@H](N)C(=O)[C@@H]1N[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CN2C(=O)c3cc4ccc(N(C)C)cc4cc3C2=O)C(N)=O)Cc2ccccc21 ZINC000095606886 562782488 /nfs/dbraw/zinc/78/24/88/562782488.db2.gz XJJAERVDDMSANL-HDMCCQRMSA-N -1 0 805.889 1.539 1 0 in-vivo KDAFRM Cc1cc(O)cc(C)c1C[C@H](N)C(=O)[C@@H]1N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CN2C(=O)c3cc4ccc(N(C)C)cc4cc3C2=O)C(N)=O)Cc2ccccc21 ZINC000095606888 562782483 /nfs/dbraw/zinc/78/24/83/562782483.db2.gz XJJAERVDDMSANL-DUGFOKQISA-N -1 0 805.889 1.539 1 0 in-vivo KDAFRM CC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000095607009 562782587 /nfs/dbraw/zinc/78/25/87/562782587.db2.gz BRRIQKRUEWKTLZ-ZIWQVPDVSA-N -1 0 759.857 1.306 1 0 KDAFRM Nc1nc2c(ncn2[C@H]2C[C@H](OC(=O)CC[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)[O-])[C@@H](CO)O2)c(OCc2ccccc2)n1 ZINC000095607596 562782922 /nfs/dbraw/zinc/78/29/22/562782922.db2.gz HMOJOEMWDLZUEJ-CXSMSNRLSA-N -1 0 780.759 1.063 1 0 KDAFRM CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C(=O)[O-])[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095607697 562783076 /nfs/dbraw/zinc/78/30/76/562783076.db2.gz YRNGTFHYGBEEKX-RDLUFXFASA-N -1 0 710.814 1.028 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[n-]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095607791 562783097 /nfs/dbraw/zinc/78/30/97/562783097.db2.gz FMDXQIZZIVQWAK-WBAQKLHDSA-N -1 0 800.762 1.693 1 0 KDAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C)C(C)C)C(=O)[O-] ZINC000095607834 562783159 /nfs/dbraw/zinc/78/31/59/562783159.db2.gz BPFKHXOCMWJLDP-YUGXLDDKSA-N -1 0 766.959 1.137 1 0 KDAFRM CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000095607843 562783184 /nfs/dbraw/zinc/78/31/84/562783184.db2.gz PUNCJPYIOUNMPV-BHONDUSNSA-N -1 0 782.936 1.626 1 0 KDAFRM CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C)CC ZINC000095610489 562784432 /nfs/dbraw/zinc/78/44/32/562784432.db2.gz AVOKTZFWKWXOEX-NWVMJOGISA-N -1 0 795.939 1.125 1 0 KDAFRM Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(C)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095610546 562784465 /nfs/dbraw/zinc/78/44/65/562784465.db2.gz BVCOWYIUTKVWMK-CUPIEXAXSA-N -1 0 818.954 1.928 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095612714 562785781 /nfs/dbraw/zinc/78/57/81/562785781.db2.gz GXOVISHJCLZDRR-JONZOVCNSA-N -1 0 748.834 1.252 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)cc(O)c1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095612756 562785801 /nfs/dbraw/zinc/78/58/01/562785801.db2.gz DFTLSQBRAYDWQN-QEUNAIBPSA-N -1 0 748.834 1.252 1 0 KDAFRM Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC(=O)CC[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)[O-])O2)c(OCc2ccccc2)n1 ZINC000095612982 562785974 /nfs/dbraw/zinc/78/59/74/562785974.db2.gz MLJKIVGHQROEPK-CXSMSNRLSA-N -1 0 780.759 1.063 1 0 KDAFRM C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O ZINC000095613224 562786145 /nfs/dbraw/zinc/78/61/45/562786145.db2.gz QKPHDZJMJRICNH-YISOEFBASA-N -1 0 803.914 1.126 1 0 KDAFRM CCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)CC[P@@](=O)([O-])[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CNC1=O ZINC000095613294 562786220 /nfs/dbraw/zinc/78/62/20/562786220.db2.gz QLXCQCDAJMULKF-MOUTVQLLSA-N -1 0 603.657 1.119 1 0 KDAFRM CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C ZINC000095613303 562786207 /nfs/dbraw/zinc/78/62/07/562786207.db2.gz GIBJQEFDKFQJPC-BHONDUSNSA-N -1 0 798.935 1.332 1 0 KDAFRM CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]2CCCCN2C1=O ZINC000095614525 562786710 /nfs/dbraw/zinc/78/67/10/562786710.db2.gz RWACFKPPGCUVNX-WZWKYWKBSA-N -1 0 744.890 1.660 1 0 KDAFRM CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C)CC ZINC000095614593 562786716 /nfs/dbraw/zinc/78/67/16/562786716.db2.gz TVYBVPVQGZUFOL-STYDAYFFSA-N -1 0 795.939 1.125 1 0 KDAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(CN4CCOCC4)cc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000095615015 562787008 /nfs/dbraw/zinc/78/70/08/562787008.db2.gz NTXJJANCMBEHLL-GSDHBNRESA-N -1 0 746.601 1.838 1 0 KDAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CS(=O)(=O)c2ccc(F)cc2)NS(C)(=O)=O)CSC1(C)C ZINC000095615962 562787648 /nfs/dbraw/zinc/78/76/48/562787648.db2.gz OQJFCJZEHHEQQV-RRGQHJHPSA-N -1 0 748.921 1.911 1 0 KDAFRM CCCCOC(=O)[C@@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909569 560059647 /nfs/dbraw/zinc/05/96/47/560059647.db2.gz ZLDBWIBQNJCHKH-MXCHMSEPSA-N -1 0 502.472 1.401 1 0 biogenic,in-vitro KDAFRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](COC(=O)/C=C\c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)c2o1 ZINC000095910193 560058855 /nfs/dbraw/zinc/05/88/55/560058855.db2.gz NUYUUMDHHLBRHZ-RACHYXBSSA-N -1 0 540.521 1.423 1 0 biogenic,in-vitro KDAFRM CC(=O)OC[C@H]1O[C@@H](c2c([O-])ccc3c2O[C@@H](c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095910478 291687465 /nfs/dbraw/zinc/68/74/65/291687465.db2.gz BWDZHNODMVBAFZ-QQTZMGBDSA-N -1 0 502.472 1.110 1 0 biogenic,in-vitro KDAFRM CCCCOC(=O)CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(CCC(=O)[O-])cc(OC)c2O)c1 ZINC000095910499 565177539 /nfs/dbraw/zinc/17/75/39/565177539.db2.gz CQJZSGNCDIJTLR-ZHTDWIAYSA-N -1 0 608.637 1.548 1 0 biogenic,in-vitro KDAFRM CCCCOC(=O)CCc1cc(OC)c(O)c(-c2cc(CCC(=O)[O-])cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000095910500 565177525 /nfs/dbraw/zinc/17/75/25/565177525.db2.gz JKMGHGDVBFBDHM-ZHTDWIAYSA-N -1 0 608.637 1.548 1 0 biogenic,in-vitro KDAFRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C\c3ccc(O)cc3)c2o1 ZINC000095912377 560057133 /nfs/dbraw/zinc/05/71/33/560057133.db2.gz QACRJXSXSVUOFZ-IKTLPBAJSA-N -1 0 540.521 1.423 1 0 biogenic,in-vitro KDAFRM CC[C@@H](C)C(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](CO)O[C@H]1c1c(OC)cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc21 ZINC000095913588 560056641 /nfs/dbraw/zinc/05/66/41/560056641.db2.gz NMPAISVEPHNOCP-FFLPTLHESA-N -1 0 530.526 1.992 1 0 biogenic,in-vitro KDAFRM CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@H](c2c(OC)cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc32)O[C@@H](CO)[C@@H]1O ZINC000095913589 560056615 /nfs/dbraw/zinc/05/66/15/560056615.db2.gz OHXSEHQAFDYWTK-LJVSSSLTSA-N -1 0 530.526 1.992 1 0 biogenic,in-vitro KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1c[nH]c(C(=O)[O-])c1 ZINC000096272314 562794076 /nfs/dbraw/zinc/79/40/76/562794076.db2.gz DNOAAFZMMNSLBU-XJKSGUPXSA-N -1 0 519.942 1.619 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1c[nH]c(C(=O)[O-])c1 ZINC000096272315 562794069 /nfs/dbraw/zinc/79/40/69/562794069.db2.gz DNOAAFZMMNSLBU-CZUORRHYSA-N -1 0 519.942 1.619 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cc(N)cc(C(=O)[O-])c1 ZINC000096272316 562794089 /nfs/dbraw/zinc/79/40/89/562794089.db2.gz ZATASOADAZMCNM-HNAYVOBHSA-N -1 0 545.980 1.873 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cc(N)cc(C(=O)[O-])c1 ZINC000096272317 562794119 /nfs/dbraw/zinc/79/41/19/562794119.db2.gz ZATASOADAZMCNM-DNVCBOLYSA-N -1 0 545.980 1.873 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000096272318 562794122 /nfs/dbraw/zinc/79/41/22/562794122.db2.gz SCMMIPDWFAMGER-KBXCAEBGSA-N -1 0 546.964 1.996 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000096272319 562794116 /nfs/dbraw/zinc/79/41/16/562794116.db2.gz SCMMIPDWFAMGER-RDTXWAMCSA-N -1 0 546.964 1.996 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(N)c(C(=O)[O-])c1 ZINC000096272320 562794123 /nfs/dbraw/zinc/79/41/23/562794123.db2.gz KNXNYGUVCXLQFD-IFXJQAMLSA-N -1 0 545.980 1.873 1 0 KDAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(N)c(C(=O)[O-])c1 ZINC000096272321 562794125 /nfs/dbraw/zinc/79/41/25/562794125.db2.gz KNXNYGUVCXLQFD-AUUYWEPGSA-N -1 0 545.980 1.873 1 0 KDAFRM C[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C(=O)[O-])[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O ZINC000096900328 562796806 /nfs/dbraw/zinc/79/68/06/562796806.db2.gz OKJYWYPYIBXZKZ-FRGJPERLSA-N -1 0 550.645 1.521 1 0 KDAFRM CC(=O)O[C@@H]1C[C@H]2[C@@H](C=C[C@H]3C[C@@H](/C=C/C=CC=CC(=O)[O-])[C@@]4(C(=O)O[C@@H](CO)C4=O)C(=O)[C@@]32C)[C@H](O)[C@H]1C ZINC000096903111 562797788 /nfs/dbraw/zinc/79/77/88/562797788.db2.gz UNCBZODCSVGKDO-TYOXOPNTSA-N -1 0 542.581 1.559 1 0 KDAFRM CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(N)=O ZINC000096904589 562798375 /nfs/dbraw/zinc/79/83/75/562798375.db2.gz JSLHLNVBLWDMSU-OPTWNZHXSA-N -1 0 591.750 1.551 1 0 KDAFRM CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000096905523 562798510 /nfs/dbraw/zinc/79/85/10/562798510.db2.gz LUMLAMMQCZSVEN-BKXCAEITSA-N -1 0 783.968 1.463 1 0 KDAFRM CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3cnn(C)c3)CSC2(C)C)C(=O)[O-])cc1 ZINC000096907660 562799140 /nfs/dbraw/zinc/79/91/40/562799140.db2.gz IZHMSLJUKTYUPC-ZWKOTPCHSA-N -1 0 539.636 1.135 1 0 KDAFRM O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COc3ccc4ccc(=O)oc4c3)C[S@](=O)[C@H]12 ZINC000096910823 562800054 /nfs/dbraw/zinc/80/00/54/562800054.db2.gz CNORJZWAMCYXCV-CAPFZOQYSA-N -1 0 508.508 1.169 1 0 KDAFRM O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COc3ccc4ccc(=O)oc4c3)C[S@@](=O)[C@H]12 ZINC000096910824 562800063 /nfs/dbraw/zinc/80/00/63/562800063.db2.gz CNORJZWAMCYXCV-IKAZQFTHSA-N -1 0 508.508 1.169 1 0 KDAFRM Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC4)c(F)c3)C(=O)O2)nn1 ZINC000096913432 562800227 /nfs/dbraw/zinc/80/02/27/562800227.db2.gz LJQVAYQRVDASPZ-HNNXBMFYSA-N -1 0 513.452 1.078 1 0 KDAFRM CC(C)[C@H]1NC(=O)[C@@H](C)[C@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000096915481 562800985 /nfs/dbraw/zinc/80/09/85/562800985.db2.gz DMXROUYLQHFRCS-GSIPAYAWSA-N -1 0 514.623 1.305 1 0 KDAFRM CCCOc1ccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916037 562801135 /nfs/dbraw/zinc/80/11/35/562801135.db2.gz DOBGVDGBLMSEKY-PTSOYHJLSA-N -1 0 528.400 1.323 1 0 KDAFRM CCCOc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916039 562801145 /nfs/dbraw/zinc/80/11/45/562801145.db2.gz DOBGVDGBLMSEKY-MAEOEUOPSA-N -1 0 528.400 1.323 1 0 KDAFRM CCCOc1ccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916041 562801181 /nfs/dbraw/zinc/80/11/81/562801181.db2.gz DOBGVDGBLMSEKY-JWQSXIGZSA-N -1 0 528.400 1.323 1 0 KDAFRM CCCOc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916043 562801149 /nfs/dbraw/zinc/80/11/49/562801149.db2.gz DOBGVDGBLMSEKY-FYWNELHYSA-N -1 0 528.400 1.323 1 0 KDAFRM O=C([O-])[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 ZINC000096917549 562801311 /nfs/dbraw/zinc/80/13/11/562801311.db2.gz BEBUXSNYOJTSJT-JYJNAYRXSA-N -1 0 578.451 1.957 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cc4oc(CO)cc(=O)c4O)[C@H](C)C3)c(F)c21 ZINC000096930192 562803207 /nfs/dbraw/zinc/80/32/07/562803207.db2.gz GFYVUUIDAYNQRN-GFCCVEGCSA-N -1 0 505.474 1.860 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc(NC(=S)NCc4ccccc4)cc3)[C@H]2SC1 ZINC000096932774 562803507 /nfs/dbraw/zinc/80/35/07/562803507.db2.gz LNAJPCSNPOCDJF-DENIHFKCSA-N -1 0 576.678 1.637 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc(NC(=S)Nc4ccccc4)cc3)[C@H]2SC1 ZINC000096932775 562803541 /nfs/dbraw/zinc/80/35/41/562803541.db2.gz TULJTAIREGGUGK-WIYYLYMNSA-N -1 0 562.651 1.959 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc(NC(=O)NCc4ccccc4)cc3)[C@H]2SC1 ZINC000096935486 562804118 /nfs/dbraw/zinc/80/41/18/562804118.db2.gz ZXZFIVSIBAIHLO-DENIHFKCSA-N -1 0 560.610 1.472 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)[C@H]2SC1 ZINC000096935487 562804132 /nfs/dbraw/zinc/80/41/32/562804132.db2.gz KIEPGJOAEIJYMY-WIYYLYMNSA-N -1 0 546.583 1.794 1 0 KDAFRM Cn1cnc(S(=O)(=O)NCCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc2C(C)(C)C)c1 ZINC000096940410 562804932 /nfs/dbraw/zinc/80/49/32/562804932.db2.gz WTTACYODHNPAOA-UHFFFAOYSA-N -1 0 520.587 1.418 1 0 KDAFRM NC(=O)[C@H](Cc1ccc(C2=CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000098082170 562805211 /nfs/dbraw/zinc/80/52/11/562805211.db2.gz NUOGHQSAQQTPNR-DQEYMECFSA-N -1 0 574.659 1.360 1 0 KDAFRM COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)C(N)=O)cc1 ZINC000098083587 562805442 /nfs/dbraw/zinc/80/54/42/562805442.db2.gz IOXLNLDZDBKHBN-GSDHBNRESA-N -1 0 592.674 1.069 1 0 KDAFRM COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)C(N)=O)cc1 ZINC000098083588 562805464 /nfs/dbraw/zinc/80/54/64/562805464.db2.gz IOXLNLDZDBKHBN-KKUQBAQOSA-N -1 0 592.674 1.069 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000098083824 562805516 /nfs/dbraw/zinc/80/55/16/562805516.db2.gz FEPBQYWCGUBNAU-SDHOMARFSA-N -1 0 562.648 1.060 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000098083825 562805505 /nfs/dbraw/zinc/80/55/05/562805505.db2.gz FEPBQYWCGUBNAU-CCDWMCETSA-N -1 0 562.648 1.060 1 0 KDAFRM NC(=O)[C@H](Cc1ccc(C2=CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000098084347 562805625 /nfs/dbraw/zinc/80/56/25/562805625.db2.gz ZOYUCSRRBUKHMG-GOTSBHOMSA-N -1 0 546.605 1.041 1 0 KDAFRM O=C([O-])c1cc(NC(=O)CC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc(NC(=O)c2cc3ccccc3s2)c1 ZINC000101023937 562808769 /nfs/dbraw/zinc/80/87/69/562808769.db2.gz QVMIKQRRNLXZQP-URFREJRNSA-N -1 0 528.539 1.357 1 0 KDAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NN4CCC4)ccc3N2)c([O-])c2cccnc21 ZINC000101047086 562808878 /nfs/dbraw/zinc/80/88/78/562808878.db2.gz PPNXOVJRTDFBIN-UHFFFAOYSA-N -1 0 561.646 1.576 1 0 KDAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NN4CCCC4)ccc3N2)c([O-])c2cccnc21 ZINC000101053675 562808950 /nfs/dbraw/zinc/80/89/50/562808950.db2.gz SOCQXUAWQPQSGU-UHFFFAOYSA-N -1 0 575.673 1.966 1 0 KDAFRM CC(C)CCn1c2ncccc2c([O-])c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)[N-]C(=O)OCC[NH3+])ccc3N2)c1=O ZINC000101057669 562808948 /nfs/dbraw/zinc/80/89/48/562808948.db2.gz MJJOUUGMPHHBTP-UHFFFAOYSA-N -1 0 593.644 1.051 1 0 KDAFRM CC(C)CCn1c2ncccc2c([O-])c(C2=NS(=O)(=O)c3cc(NS(N)(=O)=O)ccc3N2)c1=O ZINC000101085910 562809034 /nfs/dbraw/zinc/80/90/34/562809034.db2.gz SKCSOGGZVODZAP-UHFFFAOYSA-N -1 0 506.566 1.325 1 0 KDAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3ccccc3n(NC3CCC3)c1=O)N2 ZINC000101617229 562811415 /nfs/dbraw/zinc/81/14/15/562811415.db2.gz RJCFDNPXJHECBO-UHFFFAOYSA-N -1 0 503.562 1.736 1 0 KDAFRM CC(C)CCn1c2ccccc2c([O-])c(C2=NS(=O)(=O)C3=C(CCN(CCc4nn[nH]n4)C3)N2)c1=O ZINC000101773441 562812130 /nfs/dbraw/zinc/81/21/30/562812130.db2.gz YQAXHHCKSJKPCN-UHFFFAOYSA-N -1 0 512.596 1.106 1 0 KDAFRM Cc1cc2n(n1)c(=O)c(=C1Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N1)c(=O)n2CCC(C)C ZINC000101801235 562812169 /nfs/dbraw/zinc/81/21/69/562812169.db2.gz FMRJXKKECOACMZ-UHFFFAOYSA-N -1 0 508.582 1.489 1 0 KDAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)n3nccc3n(CCc3ccc(F)cc3)c1=O)N2 ZINC000101836786 562812288 /nfs/dbraw/zinc/81/22/88/562812288.db2.gz DHQAHFHKFBDCHI-UHFFFAOYSA-N -1 0 546.562 1.516 1 0 KDAFRM CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4nc(Cc5ccc(F)cc5)c[nH]4)nc23)S1(=O)=O ZINC000102403275 562813227 /nfs/dbraw/zinc/81/32/27/562813227.db2.gz NQGZIXJQDNIYIM-UHFFFAOYSA-N -1 0 555.592 1.353 1 0 KDAFRM O=c1c([O-])c(-c2nc(Cc3ccc(F)cc3)c[nH]2)nc2c(N3CCCS3(=O)=O)cc(N3CCOCC3)cn12 ZINC000102409226 562813193 /nfs/dbraw/zinc/81/31/93/562813193.db2.gz BMKDHJRRYRCOJM-UHFFFAOYSA-N -1 0 540.577 1.897 1 0 KDAFRM CCN(C(=O)C(=O)N(C)C)c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3nc(Cc4ccc(F)cc4)c[nH]3)nc12 ZINC000102409699 562813199 /nfs/dbraw/zinc/81/31/99/562813199.db2.gz MMMNJHIAYKISDQ-UHFFFAOYSA-N -1 0 563.590 1.798 1 0 KDAFRM COc1cccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[n-]c3=O)c2)c1OC ZINC000102987455 562813915 /nfs/dbraw/zinc/81/39/15/562813915.db2.gz KTDIFXDYNGQAES-NMGXZBPKSA-N -1 0 500.555 1.990 1 0 KDAFRM COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[n-]c3=O)c2)c(OC)c1 ZINC000102987457 562813926 /nfs/dbraw/zinc/81/39/26/562813926.db2.gz WBBOXHMOYYTPFZ-GWGAMZPFSA-N -1 0 500.555 1.990 1 0 KDAFRM COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[n-]c3=O)c2)cc1OC ZINC000102987460 562813932 /nfs/dbraw/zinc/81/39/32/562813932.db2.gz RFRFSHTZXQESPT-KGDRBKAHSA-N -1 0 500.555 1.990 1 0 KDAFRM COc1cc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[n-]c3=O)c2)cc(OC)c1OC ZINC000102987463 562813973 /nfs/dbraw/zinc/81/39/73/562813973.db2.gz QWYRDMKWYZFZIJ-KLCVWCHLSA-N -1 0 530.581 1.998 1 0 KDAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)c2ccc(F)cc2F)n1 ZINC000103181527 562815261 /nfs/dbraw/zinc/81/52/61/562815261.db2.gz GXNALWAWNGYLOE-UHFFFAOYSA-N -1 0 508.463 1.954 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000103199288 562815991 /nfs/dbraw/zinc/81/59/91/562815991.db2.gz LRFUMGOOKFRDKB-GSDHBNRESA-N -1 0 576.675 1.450 1 0 KDAFRM NC(=O)[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000103199290 562816020 /nfs/dbraw/zinc/81/60/20/562816020.db2.gz LRFUMGOOKFRDKB-KKUQBAQOSA-N -1 0 576.675 1.450 1 0 KDAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(C)(=O)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000103224566 562817573 /nfs/dbraw/zinc/81/75/73/562817573.db2.gz DAGMCKNLYJEJJW-MYDCNYLUSA-N -1 0 534.543 1.676 1 0 KDAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(C)(=O)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000103224587 562817594 /nfs/dbraw/zinc/81/75/94/562817594.db2.gz KVJDGKUSLYZVPM-LGWHJFRWSA-N -1 0 520.516 1.373 1 0 KDAFRM CCS(=O)(=O)[N-]C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000103224590 562817597 /nfs/dbraw/zinc/81/75/97/562817597.db2.gz QRYDDQSONYUQNV-MYDCNYLUSA-N -1 0 534.543 1.763 1 0 KDAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5ncccn5)CC4)CC3)c(F)cc2c1=O ZINC000103231192 562818221 /nfs/dbraw/zinc/81/82/21/562818221.db2.gz KMPPUHAIOQECIA-UHFFFAOYSA-N -1 0 535.580 1.435 1 0 KDAFRM CO[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000103257673 562820924 /nfs/dbraw/zinc/82/09/24/562820924.db2.gz CJDZNAVXNCHOPA-MQPZEJOTSA-N -1 0 582.720 1.499 1 0 KDAFRM CC(=O)O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000103257677 562820927 /nfs/dbraw/zinc/82/09/27/562820927.db2.gz CPGLTASRWZDZQI-NRFQADIPSA-N -1 0 610.730 1.416 1 0 KDAFRM O=C(COc1ccc(-c2cc(=O)c3c([O-])cc(OCC(=O)OCCO[N+](=O)[O-])cc3o2)cc1)OCCO[N+](=O)[O-] ZINC000103259853 562821147 /nfs/dbraw/zinc/82/11/47/562821147.db2.gz QTDKTDSARLPHRF-UHFFFAOYSA-N -1 0 564.412 1.426 1 0 KDAFRM C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000103266929 562822401 /nfs/dbraw/zinc/82/24/01/562822401.db2.gz VTYRWANGEPIHRB-SFHVURJKSA-N -1 0 504.584 1.465 1 0 KDAFRM Cn1c(=O)sc2c1c(-c1ccccc1)c(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c(O)c2-c1ccccc1 ZINC000103270994 562822978 /nfs/dbraw/zinc/82/29/78/562822978.db2.gz IHUHIFKVCBIAMM-QDSRYJPQSA-N -1 0 525.535 1.911 1 0 KDAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c(S(=O)(=O)c3ccccc3)nc3ccccn32)n1 ZINC000103279139 562823359 /nfs/dbraw/zinc/82/33/59/562823359.db2.gz GVFUPLYPROSSQT-UHFFFAOYSA-N -1 0 518.533 1.485 1 0 KDAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c([S@@](=O)c3ccccc3)nc3ccccn32)n1 ZINC000103280911 562823510 /nfs/dbraw/zinc/82/35/10/562823510.db2.gz MLSDKQADAYVRNE-MGBGTMOVSA-N -1 0 502.534 1.819 1 0 KDAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c([S@](=O)c3ccccc3)nc3ccccn32)n1 ZINC000103280913 562823533 /nfs/dbraw/zinc/82/35/33/562823533.db2.gz MLSDKQADAYVRNE-XIFFEERXSA-N -1 0 502.534 1.819 1 0 KDAFRM COc1ccc(N(C(=O)NCc2ccccc2)[C@@H](CC(=O)[O-])C(=O)N[C@H](CC(N)=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC)cc1 ZINC000103286024 562823809 /nfs/dbraw/zinc/82/38/09/562823809.db2.gz FBIWFIVFOVKIFF-VFXPQPBYSA-N -1 0 614.652 1.506 1 0 KDAFRM COc1ccc(N(C(=O)NCc2ccccc2)[C@@H](CC(=O)[O-])C(=O)N[C@H](CC(N)=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC)cc1 ZINC000103286026 562823813 /nfs/dbraw/zinc/82/38/13/562823813.db2.gz FBIWFIVFOVKIFF-RVFUCGIASA-N -1 0 614.652 1.506 1 0 KDAFRM COc1ccc(N(C(=O)NCc2ccccc2)[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC)cc1 ZINC000103286028 562823815 /nfs/dbraw/zinc/82/38/15/562823815.db2.gz FBIWFIVFOVKIFF-HKYMOOSYSA-N -1 0 614.652 1.506 1 0 KDAFRM COc1ccc(N(C(=O)NCc2ccccc2)[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC)cc1 ZINC000103286030 562823832 /nfs/dbraw/zinc/82/38/32/562823832.db2.gz FBIWFIVFOVKIFF-VUUZAJQTSA-N -1 0 614.652 1.506 1 0 KDAFRM O=C([O-])C1CCC=C(OCc2cc(O)ccc2O[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)C1=O ZINC000103569281 291728167 /nfs/dbraw/zinc/72/81/67/291728167.db2.gz FIFQCYALMLVQII-KGEHBJAKSA-N -1 0 544.509 1.527 1 0 biogenic,in-vitro KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N[C@@H](C)COC)nc(-c3ccccc3)n2)CC1 ZINC000136540974 562831196 /nfs/dbraw/zinc/83/11/96/562831196.db2.gz ACCCHGARBWTJMA-ICSRJNTNSA-N -1 0 556.620 1.854 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N[C@H](C)COC)nc(-c3ccccc3)n2)CC1 ZINC000136541008 562831201 /nfs/dbraw/zinc/83/12/01/562831201.db2.gz ACCCHGARBWTJMA-QUCCMNQESA-N -1 0 556.620 1.854 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CN3CCOCC3)nc(-c3ccccc3)n2)CC1 ZINC000136560549 562831215 /nfs/dbraw/zinc/83/12/15/562831215.db2.gz ZBFVRVHQEDRTSZ-QFIPXVFZSA-N -1 0 568.631 1.240 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(C)(C)O)nc(-c3ccccc3)n2)CC1 ZINC000136595997 562831192 /nfs/dbraw/zinc/83/11/92/562831192.db2.gz NPBPXVCRWFBKIY-SFHVURJKSA-N -1 0 527.578 1.635 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@H](O)C3)nc(-c3ccccc3)n2)CC1 ZINC000136601516 562831216 /nfs/dbraw/zinc/83/12/16/562831216.db2.gz OIGFHAROZONSCK-SFTDATJTSA-N -1 0 568.631 1.369 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@@H](O)C3)nc(-c3ccccc3)n2)CC1 ZINC000136601562 562831191 /nfs/dbraw/zinc/83/11/91/562831191.db2.gz OIGFHAROZONSCK-RTWAWAEBSA-N -1 0 568.631 1.369 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CCCO)nc(-c3ccccc3)n2)CC1 ZINC000136614145 562831212 /nfs/dbraw/zinc/83/12/12/562831212.db2.gz NJGULGLROWXZLI-FQEVSTJZSA-N -1 0 527.578 1.332 1 0 KDAFRM COc1ccc(C[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CCCCOc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])cc1 ZINC000138914574 562832248 /nfs/dbraw/zinc/83/22/48/562832248.db2.gz NUELJTMIHVDLJO-LEWJYISDSA-N -1 0 528.562 1.300 1 0 KDAFRM CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(=O)[O-])c(/C=C\C(N)=O)c1)NS(C)(=O)=O ZINC000139232488 562832353 /nfs/dbraw/zinc/83/23/53/562832353.db2.gz NZHOJYVDRHNLLO-YLQXFRFJSA-N -1 0 572.640 1.471 1 0 KDAFRM CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(=O)[O-])c(/C=C/C(N)=O)c1)NS(C)(=O)=O ZINC000139232567 562832393 /nfs/dbraw/zinc/83/23/93/562832393.db2.gz NZHOJYVDRHNLLO-SDNYCIMKSA-N -1 0 572.640 1.471 1 0 KDAFRM CO[C@H]1CN(c2nc(C(=O)NCC3OCCO3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000139953097 562832837 /nfs/dbraw/zinc/83/28/37/562832837.db2.gz DWXYBCSTQUSGMP-MNOVXSKESA-N -1 0 562.432 1.911 1 0 KDAFRM C[C@@H]1CN2c3c(nc4c(C(=O)NCC(C)(C)C)noc4c3Cl)CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000142054474 562833950 /nfs/dbraw/zinc/83/39/50/562833950.db2.gz MLSYAMMIMKETAR-GPHJXTMHSA-N -1 0 518.958 1.543 1 0 KDAFRM C[C@@H]1CN2c3c(cc4c(-c5cnc(N6CCOCC6)cn5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000142222798 562834014 /nfs/dbraw/zinc/83/40/14/562834014.db2.gz DLRHKELAACLOAF-GPAUDHNESA-N -1 0 551.535 1.151 1 0 KDAFRM C[C@@H]1CN2c3c(Cl)c4onc(C(=O)NCc5ccccc5)c4nc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000142666856 562834256 /nfs/dbraw/zinc/83/42/56/562834256.db2.gz KVPNHYMKFMNQAA-XAAFQQQXSA-N -1 0 538.948 1.697 1 0 KDAFRM C[C@@H]1CN2c3c(nc4c(C(=O)NC(C)(C)C)noc4c3Cl)CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000143077859 562834547 /nfs/dbraw/zinc/83/45/47/562834547.db2.gz MKUPWWLZHJPJTE-YNEJBJPTSA-N -1 0 504.931 1.295 1 0 KDAFRM CS(=O)(=O)N1CCN(c2cc(C(=O)[O-])nc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc23)CC1 ZINC000143082624 562834608 /nfs/dbraw/zinc/83/46/08/562834608.db2.gz LOODXYYNCCKQNV-UHFFFAOYSA-N -1 0 514.564 1.014 1 0 KDAFRM C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2Cl)s1)C(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-] ZINC000144384876 562836201 /nfs/dbraw/zinc/83/62/01/562836201.db2.gz MKSOBCCFULRBLE-ZANVPECISA-N -1 0 517.969 1.541 1 0 KDAFRM C[C@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2Cl)s1)C(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-] ZINC000144385093 562836173 /nfs/dbraw/zinc/83/61/73/562836173.db2.gz MKSOBCCFULRBLE-RNCFNFMXSA-N -1 0 517.969 1.541 1 0 KDAFRM C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-] ZINC000145963460 562837838 /nfs/dbraw/zinc/83/78/38/562837838.db2.gz ZDHSABZRIYUHBN-ZANVPECISA-N -1 0 501.514 1.026 1 0 KDAFRM C[C@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-] ZINC000145963673 562837845 /nfs/dbraw/zinc/83/78/45/562837845.db2.gz ZDHSABZRIYUHBN-RNCFNFMXSA-N -1 0 501.514 1.026 1 0 KDAFRM NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3nnn[n-]3)ccc12 ZINC000147976712 562839796 /nfs/dbraw/zinc/83/97/96/562839796.db2.gz GQZASHFPPCKLGZ-VLIAUNLRSA-N -1 0 572.960 1.880 1 0 KDAFRM CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCCCC[C@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)C(=O)[O-] ZINC000148217557 562840607 /nfs/dbraw/zinc/84/06/07/562840607.db2.gz SMJQLMKAMVRRHN-HNNXBMFYSA-N -1 0 626.507 1.279 1 0 KDAFRM COCCNC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O ZINC000149989367 562842789 /nfs/dbraw/zinc/84/27/89/562842789.db2.gz ZEGNINTUGJBHLO-UHFFFAOYSA-N -1 0 510.444 1.887 1 0 KDAFRM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)CCCS(C)(=O)=O)cc(C(=O)NCCO)c1 ZINC000150234235 562842995 /nfs/dbraw/zinc/84/29/95/562842995.db2.gz MOVMXLKTJXPMRD-UHFFFAOYSA-N -1 0 537.620 1.281 1 0 KDAFRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC[S@@](C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000150538457 562844066 /nfs/dbraw/zinc/84/40/66/562844066.db2.gz VYTGBGCTBASQBI-QMUVIWRUSA-N -1 0 767.987 1.369 1 0 KDAFRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@H](CC[S@@](C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000150538463 562844072 /nfs/dbraw/zinc/84/40/72/562844072.db2.gz VYTGBGCTBASQBI-ONATTWNLSA-N -1 0 767.987 1.369 1 0 KDAFRM COC(=O)/C(OC(C)=O)=C(\NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C ZINC000150563756 562844940 /nfs/dbraw/zinc/84/49/40/562844940.db2.gz CMQGPOIKXLWVHT-BMGMVSBWSA-N -1 0 762.238 1.793 1 0 KDAFRM CCCCc1nc2c(c3ccccc3nc2N)n1Cc1ccc(CNC(=O)CCN2C(=O)C[C@H](SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C2=O)cc1 ZINC000150577787 562845393 /nfs/dbraw/zinc/84/53/93/562845393.db2.gz POGPASCGQQHSIL-KZQOYIJHSA-N -1 0 817.926 1.302 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1F)C(C)C)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150577921 562845385 /nfs/dbraw/zinc/84/53/85/562845385.db2.gz PBZQTKCADFYAJS-ZJOUEHCJSA-N -1 0 855.488 1.278 1 0 KDAFRM COc1c(C)c2c(c(O)c1CCO[P@](=O)([O-])C[P@@](=O)([O-])OC[C@H]1O[C@@H](n3cnc4c3cccc4N)[C@H](O)[C@@H]1O)C(=O)OC2 ZINC000150591184 562846212 /nfs/dbraw/zinc/84/62/12/562846212.db2.gz SOKFCLVTQVNBFT-ZAHKBLQYSA-N -1 0 643.479 1.535 1 0 KDAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1O ZINC000150592186 562846328 /nfs/dbraw/zinc/84/63/28/562846328.db2.gz DZMCFYWOYIRWSO-LBBLGMBRSA-N -1 0 623.007 1.992 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)c4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000150627945 562848925 /nfs/dbraw/zinc/84/89/25/562848925.db2.gz LLCFETIXEYBYQN-DFNFTQNPSA-N -1 0 849.920 1.751 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)c4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000150627946 562848922 /nfs/dbraw/zinc/84/89/22/562848922.db2.gz LLCFETIXEYBYQN-PQUNRTFBSA-N -1 0 849.920 1.751 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)N4CCN(CC)C(=O)C4=O)c4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000150627948 562848936 /nfs/dbraw/zinc/84/89/36/562848936.db2.gz LLCFETIXEYBYQN-CMUUVTEDSA-N -1 0 849.920 1.751 1 0 KDAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)N4CCN(CC)C(=O)C4=O)c4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000150627950 562848920 /nfs/dbraw/zinc/84/89/20/562848920.db2.gz LLCFETIXEYBYQN-WEPHICOPSA-N -1 0 849.920 1.751 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(-c4cccc(N5C(=O)[C@@H]6CC[C@@H](C)C[C@H]6C5=O)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000150629669 562848943 /nfs/dbraw/zinc/84/89/43/562848943.db2.gz QHHPYOQSENIQTE-ZQEKUMJXSA-N -1 0 743.717 1.326 1 0 KDAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(-c4cccc(N5C(=O)[C@@H]6CC[C@H](C)C[C@H]6C5=O)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000150629674 562848948 /nfs/dbraw/zinc/84/89/48/562848948.db2.gz QHHPYOQSENIQTE-OPBTYAMXSA-N -1 0 743.717 1.326 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[n-]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000161477891 562849182 /nfs/dbraw/zinc/84/91/82/562849182.db2.gz WTPASGXFZGYHCW-MWHSWQKKSA-N -1 0 683.855 1.098 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 ZINC000167759995 562851059 /nfs/dbraw/zinc/85/10/59/562851059.db2.gz CUBJEBATFWEAEL-QFIPXVFZSA-N -1 0 597.673 1.152 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-n3cc(C)cn3)nc(-c3ccccc3)n2)CC1 ZINC000167834991 562851125 /nfs/dbraw/zinc/85/11/25/562851125.db2.gz ZEOWWHXLEMDDPE-FQEVSTJZSA-N -1 0 549.588 1.902 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N[C@@H]3CCOC3)nc(-c3ccccc3)n2)CC1 ZINC000167989100 562851208 /nfs/dbraw/zinc/85/12/08/562851208.db2.gz TUFDACIRTOGMHR-UXHICEINSA-N -1 0 554.604 1.608 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 ZINC000167999805 562851214 /nfs/dbraw/zinc/85/12/14/562851214.db2.gz QYCPAGGTJKCYPL-FQEVSTJZSA-N -1 0 554.604 1.244 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 ZINC000168000037 562851211 /nfs/dbraw/zinc/85/12/11/562851211.db2.gz IUIXGHGKGHGXST-SFTDATJTSA-N -1 0 568.631 1.633 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-c3ccc[n+]([O-])c3)nc(-c3ccccc3)n2)CC1 ZINC000168095108 562851249 /nfs/dbraw/zinc/85/12/49/562851249.db2.gz NQFICBKXLCLFKB-NRFANRHFSA-N -1 0 562.583 1.708 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc([C@H]3C[C@@H]3CO)nc(-c3ccccc3)n2)CC1 ZINC000168161513 562851240 /nfs/dbraw/zinc/85/12/40/562851240.db2.gz CLFQIBKGKKHQHZ-AABGKKOBSA-N -1 0 539.589 1.503 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N[C@@H](C)CO)nc(-c3ccccc3)n2)CC1 ZINC000168188295 562851248 /nfs/dbraw/zinc/85/12/48/562851248.db2.gz IQFLVOVQJYVSHB-HKUYNNGSSA-N -1 0 542.593 1.200 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(C)(C)CO)nc(-c3ccccc3)n2)CC1 ZINC000168309080 562851316 /nfs/dbraw/zinc/85/13/16/562851316.db2.gz CQNBXVLWMZFXQR-IBGZPJMESA-N -1 0 541.605 1.677 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCCO)nc(-c3ccccc3)n2)CC1 ZINC000168339203 562851312 /nfs/dbraw/zinc/85/13/12/562851312.db2.gz ZHMDVTWPMNZCHU-IBGZPJMESA-N -1 0 542.593 1.202 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N[C@H](C)CO)nc(-c3ccccc3)n2)CC1 ZINC000168406691 562851365 /nfs/dbraw/zinc/85/13/65/562851365.db2.gz IQFLVOVQJYVSHB-MJGOQNOKSA-N -1 0 542.593 1.200 1 0 KDAFRM CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCC(CC(=O)[O-])CC3)ncc2-c2cnc3[nH]ccc3n2)C1 ZINC000168464352 562851416 /nfs/dbraw/zinc/85/14/16/562851416.db2.gz IEZRZUHSKFJPQY-INIZCTEOSA-N -1 0 514.612 1.942 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=O)[C@H](C)NC(=O)OCc4ccccc4)CC3)nc21 ZINC000169309683 562854452 /nfs/dbraw/zinc/85/44/52/562854452.db2.gz PLGOZXNFBKHCNJ-INIZCTEOSA-N -1 0 508.535 1.473 1 0 KDAFRM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSCC(F)(F)F)[C@H]3SC2)s1 ZINC000169314419 562855720 /nfs/dbraw/zinc/85/57/20/562855720.db2.gz JCMNBCGOMYJXQT-BXKDBHETSA-N -1 0 500.571 1.973 1 0 KDAFRM CC(=O)OC[C@H]1CN(c2ccc(N3CCN(C(=O)OCC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)Cc6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1 ZINC000169328224 562858286 /nfs/dbraw/zinc/85/82/86/562858286.db2.gz PLMUKJQMWGOFDH-CMSWSFRRSA-N -1 0 711.725 1.954 1 0 KDAFRM CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)OCC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)Cc6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1 ZINC000169328226 562858294 /nfs/dbraw/zinc/85/82/94/562858294.db2.gz HKYIMWJFBUDZQP-NTGKZJMKSA-N -1 0 710.741 1.527 1 0 KDAFRM NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc([O-])c(=O)nc32)cc1 ZINC000169330472 562858688 /nfs/dbraw/zinc/85/86/88/562858688.db2.gz KVFDUIOUNPGIGT-UHFFFAOYSA-N -1 0 513.333 1.799 1 0 KDAFRM CCOC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCC)CC2)nc2cc(C)ccc21 ZINC000169701286 562868012 /nfs/dbraw/zinc/86/80/12/562868012.db2.gz JZHZUBQEIOCXMB-DHLKQENFSA-N -1 0 655.705 1.740 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)(F)F)c3ccccc3n2)CC1 ZINC000169701287 562868003 /nfs/dbraw/zinc/86/80/03/562868003.db2.gz VJXSMCCYWUYSBG-GMAHTHKFSA-N -1 0 694.664 1.547 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(F)cc3n2)CC1 ZINC000169701288 562868021 /nfs/dbraw/zinc/86/80/21/562868021.db2.gz NGKQQHMHKYZOHJ-OZXSUGGESA-N -1 0 702.712 1.815 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCC3)c3ccc(C)cc3n2)CC1 ZINC000169701289 562868020 /nfs/dbraw/zinc/86/80/20/562868020.db2.gz WBORKYOPOZSQQB-IGKIAQTJSA-N -1 0 680.759 1.799 1 0 KDAFRM CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(C)cc3n2)CC1 ZINC000169701293 562868009 /nfs/dbraw/zinc/86/80/09/562868009.db2.gz LDQOSHBJPCIPLH-UIOOFZCWSA-N -1 0 684.722 1.595 1 0 KDAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[n-]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 ZINC000169701301 562868022 /nfs/dbraw/zinc/86/80/22/562868022.db2.gz KXBOXRFDFHPCAB-WNJJXGMVSA-N -1 0 732.843 1.907 1 0 KDAFRM NC(=O)CC[C@H](NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000169701549 562868087 /nfs/dbraw/zinc/86/80/87/562868087.db2.gz JUEZHKLAFJJQNE-VXKWHMMOSA-N -1 0 549.584 1.526 1 0 KDAFRM NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O ZINC000169701550 562868082 /nfs/dbraw/zinc/86/80/82/562868082.db2.gz OFRXWZGHEVNQHU-VXKWHMMOSA-N -1 0 549.584 1.526 1 0 KDAFRM O=C([O-])[C@@H]1Cc2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N1 ZINC000169710822 562870758 /nfs/dbraw/zinc/87/07/58/562870758.db2.gz MQTMFZBGEJWSRJ-WDYNHAJCSA-N -1 0 662.769 1.038 1 0 KDAFRM NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000195514918 562872092 /nfs/dbraw/zinc/87/20/92/562872092.db2.gz MNHAQCQVNUIAMJ-IMBSVQIASA-N -1 0 612.687 1.143 1 0 KDAFRM Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)c(C)c34)c2F)[nH]1 ZINC000199245660 562872916 /nfs/dbraw/zinc/87/29/16/562872916.db2.gz TYHCOOSLCVMBBW-IYYXUBSOSA-N -1 0 546.508 1.435 1 0 KDAFRM COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc([O-])cc6oc5=O)nn4)CC3)nc(N)c2cc1OC ZINC000199430224 562872963 /nfs/dbraw/zinc/87/29/63/562872963.db2.gz OLJMQMOCFLSIIF-UHFFFAOYSA-N -1 0 544.528 1.584 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[n-]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000204792022 562874592 /nfs/dbraw/zinc/87/45/92/562874592.db2.gz WTPASGXFZGYHCW-LOAOOUEVSA-N -1 0 683.855 1.098 1 0 KDAFRM CS(=O)(=O)CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2)CC1 ZINC000220501967 562878513 /nfs/dbraw/zinc/87/85/13/562878513.db2.gz MCIJWFKDKOPABR-UHFFFAOYSA-N -1 0 504.590 1.442 1 0 KDAFRM CS(=O)(=O)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2)CC1 ZINC000220521557 562878533 /nfs/dbraw/zinc/87/85/33/562878533.db2.gz QIDZPGIOAQDFAN-UHFFFAOYSA-N -1 0 518.617 1.832 1 0 KDAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(C[C@@H]2CCNC2=O)CC1 ZINC000220521645 562878553 /nfs/dbraw/zinc/87/85/53/562878553.db2.gz WAVZWKNXGHWYCX-SFHVURJKSA-N -1 0 509.588 1.924 1 0 KDAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(C[C@H]2CCNC2=O)CC1 ZINC000220521709 562878536 /nfs/dbraw/zinc/87/85/36/562878536.db2.gz WAVZWKNXGHWYCX-GOSISDBHSA-N -1 0 509.588 1.924 1 0 KDAFRM Cn1nnnc1SC[C@H](O)C[NH2+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 ZINC000222897907 562879936 /nfs/dbraw/zinc/87/99/36/562879936.db2.gz MNUDXXIWZVGCKW-DGCLKSJQSA-N -1 0 538.005 1.672 1 0 KDAFRM Cn1nnnc1SC[C@@H](O)C[NH2+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 ZINC000222897963 562879964 /nfs/dbraw/zinc/87/99/64/562879964.db2.gz MNUDXXIWZVGCKW-YPMHNXCESA-N -1 0 538.005 1.672 1 0 KDAFRM CO[C@H]1CN(c2nc(C(=O)NCCN3CCOCC3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000224154715 562880389 /nfs/dbraw/zinc/88/03/89/562880389.db2.gz WTCOTJYXQLBELV-KGLIPLIRSA-N -1 0 589.502 1.870 1 0 KDAFRM Cc1cc(O)cc(C)c1C[C@H](N)C(=O)[C@@H]1N[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](CN2C(=O)c3cc4ccc(N(C)C)cc4cc3C2=O)C(N)=O)Cc2ccccc21 ZINC000253640264 562882563 /nfs/dbraw/zinc/88/25/63/562882563.db2.gz XJJAERVDDMSANL-XURPUJHASA-N -1 0 805.889 1.539 1 0 in-vivo KDAFRM C[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CC1(Cl)Cl)C(=O)[O-] ZINC000253685069 562882858 /nfs/dbraw/zinc/88/28/58/562882858.db2.gz HRXSDXMQXGTODH-SDADXPQNSA-N -1 0 516.378 1.078 1 0 KDAFRM C[C@@H](NC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CC1(Cl)Cl)C(=O)N[C@@H](C)C(=O)[O-] ZINC000253685076 562882862 /nfs/dbraw/zinc/88/28/62/562882862.db2.gz HRXSDXMQXGTODH-VRKREXBASA-N -1 0 516.378 1.078 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000299824908 562883425 /nfs/dbraw/zinc/88/34/25/562883425.db2.gz FAKSCBRSXMZOTN-ZDXOVATRSA-N -1 0 502.612 1.283 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O ZINC000299824990 562883451 /nfs/dbraw/zinc/88/34/51/562883451.db2.gz FGWZXBSDSMPSEI-VNRYTLISSA-N -1 0 541.649 1.764 1 0 KDAFRM COc1cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc1N1CCN(S(=O)(=O)c2ccc(N)nc2)CC1 ZINC000299826746 562883958 /nfs/dbraw/zinc/88/39/58/562883958.db2.gz HXCTZGRWJSQPPB-UHFFFAOYSA-N -1 0 515.436 1.891 1 0 KDAFRM Cn1c(=O)c([O-])c(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)nc1[C@H]1CCOC1 ZINC000299829394 562884859 /nfs/dbraw/zinc/88/48/59/562884859.db2.gz UDWMEZOSHUGYOG-HNNXBMFYSA-N -1 0 523.587 1.224 1 0 KDAFRM Cn1c(=O)c([O-])c(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)nc1[C@@H]1CCOC1 ZINC000299829396 562884841 /nfs/dbraw/zinc/88/48/41/562884841.db2.gz UDWMEZOSHUGYOG-OAHLLOKOSA-N -1 0 523.587 1.224 1 0 KDAFRM CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2[O-])S1(=O)=O ZINC000299829540 562884901 /nfs/dbraw/zinc/88/49/01/562884901.db2.gz VSUMUXSYGVEZBP-UHFFFAOYSA-N -1 0 523.587 1.224 1 0 KDAFRM Cn1c(=O)c([O-])c(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)nc1C1CCOCC1 ZINC000299830218 562885113 /nfs/dbraw/zinc/88/51/13/562885113.db2.gz XESKIKFUQNEPGO-UHFFFAOYSA-N -1 0 537.614 1.614 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)[O-] ZINC000299832506 562885837 /nfs/dbraw/zinc/88/58/37/562885837.db2.gz HUBWHHUWFHZSGI-DUHCJERPSA-N -1 0 705.894 1.274 1 0 KDAFRM CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C ZINC000299832522 562885829 /nfs/dbraw/zinc/88/58/29/562885829.db2.gz INJPRCNVIPVODC-HEBMBFTFSA-N -1 0 691.867 1.028 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](/C=C/CCCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000299833421 562886176 /nfs/dbraw/zinc/88/61/76/562886176.db2.gz KWLVGJYXNSCHHF-AWCGJXPCSA-N -1 0 500.596 1.059 1 0 KDAFRM O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H]1O ZINC000299834061 562886372 /nfs/dbraw/zinc/88/63/72/562886372.db2.gz RIBKOHFWGDNUSH-UMCMBGNQSA-N -1 0 527.474 1.762 1 0 KDAFRM CO[C@H]1CN(c2nc(C(=O)NN3CCOCC3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000299834703 562886515 /nfs/dbraw/zinc/88/65/15/562886515.db2.gz SJUMWFCISJATFN-NEPJUHHUSA-N -1 0 561.448 1.785 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O ZINC000299836491 562887214 /nfs/dbraw/zinc/88/72/14/562887214.db2.gz NKOLMPRQWCRNGF-PFQRDIBQSA-N -1 0 500.596 1.059 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](C/C=C\CCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O ZINC000299837020 562887359 /nfs/dbraw/zinc/88/73/59/562887359.db2.gz OCBKGBGVOOMENQ-WBYLZFDESA-N -1 0 539.633 1.540 1 0 KDAFRM CO[N-]C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C ZINC000299839752 562888295 /nfs/dbraw/zinc/88/82/95/562888295.db2.gz TUPNZNLGCSNUGX-HJOGWXRNSA-N -1 0 607.672 1.183 1 0 KDAFRM CC(C)[C@H]1NC(=O)C[C@@H](/C=C/CCCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O ZINC000299840366 562888516 /nfs/dbraw/zinc/88/85/16/562888516.db2.gz VFDNTTKLINPKEY-DDUFZYCJSA-N -1 0 539.633 1.540 1 0 KDAFRM CN1CCN(C2=Nc3cc(Cl)cc(SC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)[O-])c3Nc3ccccc32)CC1 ZINC000299851156 562890700 /nfs/dbraw/zinc/89/07/00/562890700.db2.gz ACAYKYZTNOYVMH-RXVVDRJESA-N -1 0 632.143 1.693 1 0 KDAFRM N=C1N[C@@](c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299851185 562890693 /nfs/dbraw/zinc/89/06/93/562890693.db2.gz AWTLKDTWTRYGGF-NDJDVJDESA-N -1 0 611.533 1.353 1 0 KDAFRM N=C1N[C@](c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299851186 562890746 /nfs/dbraw/zinc/89/07/46/562890746.db2.gz AWTLKDTWTRYGGF-PAFVVSGISA-N -1 0 611.533 1.353 1 0 KDAFRM CCc1cc2c(cc1CC)CC(N(C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000299851192 562890741 /nfs/dbraw/zinc/89/07/41/562890741.db2.gz AYUINKXDLMIPNM-QRGVSUATSA-N -1 0 568.623 1.166 1 0 KDAFRM CN1CCN(C2=Nc3c(ccc(Cl)c3SC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)[O-])Nc3ccccc32)CC1 ZINC000299851243 562890727 /nfs/dbraw/zinc/89/07/27/562890727.db2.gz CCEKUMNHTBTFSP-RXVVDRJESA-N -1 0 632.143 1.693 1 0 KDAFRM CS(=O)(=O)[N-]C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1 ZINC000299852955 562891032 /nfs/dbraw/zinc/89/10/32/562891032.db2.gz ZYDCHUIKXAJKIJ-JBACZVJFSA-N -1 0 571.096 1.992 1 0 KDAFRM CN1CCN(C2=Nc3cc(Cl)c(SC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)[O-])cc3Nc3ccccc32)CC1 ZINC000299853029 562891057 /nfs/dbraw/zinc/89/10/57/562891057.db2.gz DIWJQXYSMBAIRA-AVRDEDQJSA-N -1 0 632.143 1.693 1 0 KDAFRM Cc1cccc(Nc2ccccc2C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1C ZINC000299853087 562891077 /nfs/dbraw/zinc/89/10/77/562891077.db2.gz FOQVDZVTHVVTGS-PXNSSMCTSA-N -1 0 530.603 1.798 1 0 KDAFRM CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000299853240 562891143 /nfs/dbraw/zinc/89/11/43/562891143.db2.gz IETZKPVDKJUYQS-ACRUOGEOSA-N -1 0 583.704 1.852 1 0 KDAFRM CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] ZINC000299853241 562891131 /nfs/dbraw/zinc/89/11/31/562891131.db2.gz IETZKPVDKJUYQS-HKBOAZHASA-N -1 0 583.704 1.852 1 0 KDAFRM O=C([O-])CCNC(=O)N1CCn2cc(C3=C(c4cnc5ccccn54)C(=O)NC3=O)c3cc(F)cc(c32)C1 ZINC000299853398 562891153 /nfs/dbraw/zinc/89/11/53/562891153.db2.gz JZUWCXOVYVWJBS-UHFFFAOYSA-N -1 0 516.489 1.995 1 0 KDAFRM Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1Cc1ncc[nH]1 ZINC000299853467 562891161 /nfs/dbraw/zinc/89/11/61/562891161.db2.gz KUQQUZZUJSDJSF-OALUTQOASA-N -1 0 563.677 1.423 1 0 KDAFRM CN1CCN(C2=Nc3cc(SC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)[O-])ccc3Nc3ccccc32)CC1 ZINC000299853710 562891194 /nfs/dbraw/zinc/89/11/94/562891194.db2.gz ONKUJAFPYCTGCY-CVDCTZTESA-N -1 0 597.698 1.039 1 0 KDAFRM Cn1c2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3Cl)c2c(=O)n(Cc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC000299864108 562893983 /nfs/dbraw/zinc/89/39/83/562893983.db2.gz LYGZRPGMJDCAOI-LJQANCHMSA-N -1 0 567.002 1.971 1 0 KDAFRM COc1ccc(Cn2ccc(=N[C@@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnnn5C)CS[C@H]34)cc2)cc1OC ZINC000377567338 562895913 /nfs/dbraw/zinc/89/59/13/562895913.db2.gz RLVQGIRTZDFMHN-DENIHFKCSA-N -1 0 555.642 1.393 1 0 KDAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(COCC(Cl)(Cl)Cl)cc3)[C@H]2SC1 ZINC000377591702 562895892 /nfs/dbraw/zinc/89/58/92/562895892.db2.gz PVJWYRRVXMJAJK-CZUORRHYSA-N -1 0 510.783 1.919 1 0 KDAFRM COc1ccc(Cn2ccc(=N[C@@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnnn5C)CS[C@H]34)cc2)cc1 ZINC000377809587 562896016 /nfs/dbraw/zinc/89/60/16/562896016.db2.gz DKRCQKOUMJRYKZ-WIYYLYMNSA-N -1 0 525.616 1.384 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(COCc4ccccc4)cc3)[C@H]2SC1 ZINC000377809598 562896020 /nfs/dbraw/zinc/89/60/20/562896020.db2.gz SIRSWKITAMYRFH-WIYYLYMNSA-N -1 0 525.616 1.501 1 0 KDAFRM Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377814549 562896041 /nfs/dbraw/zinc/89/60/41/562896041.db2.gz DRXXFTUSHQWMOO-LQLFOZJWSA-O -1 0 619.636 1.178 1 0 KDAFRM Nc1nc(-c2ccccc2-c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377814550 562896065 /nfs/dbraw/zinc/89/60/65/562896065.db2.gz GWDOKKVMOPQYNK-LQLFOZJWSA-O -1 0 619.636 1.178 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(COCC(Cl)(Cl)Cl)cc3)[C@H]2SC1 ZINC000377817462 562896087 /nfs/dbraw/zinc/89/60/87/562896087.db2.gz VOYVENFYKJCZQI-IUODEOHRSA-N -1 0 566.880 1.671 1 0 KDAFRM Nc1nc(-c2cccc(-c3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377836298 562896263 /nfs/dbraw/zinc/89/62/63/562896263.db2.gz UUMZDHZILVETOE-LQLFOZJWSA-O -1 0 619.636 1.178 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(Cc4ccc(F)cc4)cc3)[C@H]2SC1 ZINC000377841299 562896277 /nfs/dbraw/zinc/89/62/77/562896277.db2.gz XIPWZFIUXOZTFU-YLJYHZDGSA-N -1 0 513.580 1.514 1 0 KDAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(CCc4ccccc4)cc3)[C@H]2SC1 ZINC000472330113 562896583 /nfs/dbraw/zinc/89/65/83/562896583.db2.gz RNWRGCONOWARGF-WIYYLYMNSA-N -1 0 509.617 1.570 1 0 KDAFRM O=C([O-])Cc1ccc(OC[C@@H](COc2cccc3ccccc32)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000473082048 562896692 /nfs/dbraw/zinc/89/66/92/562896692.db2.gz FUJBTSKAXOCLEC-DYEKOUQNSA-N -1 0 514.527 1.110 1 0 KDAFRM O=C([O-])Cc1ccc(OC[C@H](COc2cccc3ccccc32)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000473082049 562896677 /nfs/dbraw/zinc/89/66/77/562896677.db2.gz FUJBTSKAXOCLEC-LJXSUUSKSA-N -1 0 514.527 1.110 1 0 KDAFRM O=C([O-])c1ccc(OC[C@H](COc2cccc3ccccc32)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000473082814 562896743 /nfs/dbraw/zinc/89/67/43/562896743.db2.gz LJICEZBWRJZZJW-HOGBPOSESA-N -1 0 500.500 1.181 1 0 KDAFRM O=C([O-])c1ccc(OC[C@@H](COc2cccc3ccccc32)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000473082815 562896751 /nfs/dbraw/zinc/89/67/51/562896751.db2.gz LJICEZBWRJZZJW-RYZVYYIHSA-N -1 0 500.500 1.181 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)[O-] ZINC000473091754 562897758 /nfs/dbraw/zinc/89/77/58/562897758.db2.gz RHVUALANAPWYEJ-UAIMJAIFSA-N -1 0 695.880 1.684 1 0 KDAFRM COc1ncc(-c2ccc3nc(=NC(=O)NCC(=O)N4CCOCC4)[n-]n3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473097013 562897888 /nfs/dbraw/zinc/89/78/88/562897888.db2.gz BQXGFTKZRMUKEA-UHFFFAOYSA-N -1 0 584.590 1.142 1 0 KDAFRM COc1ncc(-c2ccc3nc(=NC(=O)NCCN4CC[NH+](C)CC4)[n-]n3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473107401 562898301 /nfs/dbraw/zinc/89/83/01/562898301.db2.gz ITSUIVIXCNLTDI-UHFFFAOYSA-N -1 0 583.650 1.531 1 0 KDAFRM COc1ncc(-c2ccc3nc(=NC(=O)NCC[NH+](C)C)[n-]n3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473108011 562898381 /nfs/dbraw/zinc/89/83/81/562898381.db2.gz KYFUXWQWFUDCNB-UHFFFAOYSA-N -1 0 528.570 1.845 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn(CC)c5nc(C)ccc5c4=O)CC3)cc21 ZINC000473133090 562900340 /nfs/dbraw/zinc/90/03/40/562900340.db2.gz XEMOGJGTTWSRNX-UHFFFAOYSA-N -1 0 590.612 1.976 1 0 KDAFRM CCC[C@@H](C(=O)[O-])[N@H+](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC ZINC000474602095 562905212 /nfs/dbraw/zinc/90/52/12/562905212.db2.gz AHFFRMXXIZJMCZ-FXCIBJTHSA-N -1 0 655.859 1.575 1 0 KDAFRM CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)[O-] ZINC000474609617 562905593 /nfs/dbraw/zinc/90/55/93/562905593.db2.gz RHVUALANAPWYEJ-NNPJTBSKSA-N -1 0 695.880 1.684 1 0 KDAFRM CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)[O-] ZINC000474609624 562905598 /nfs/dbraw/zinc/90/55/98/562905598.db2.gz RNIFVMRORLIQKP-YLSRMWDOSA-N -1 0 695.861 1.018 1 0 KDAFRM CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)[O-] ZINC000474609625 562905619 /nfs/dbraw/zinc/90/56/19/562905619.db2.gz RNIFVMRORLIQKP-ZWKKXHERSA-N -1 0 695.861 1.018 1 0 KDAFRM C[C@@H]1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)/C=C/CCCCC(=O)[O-])[C@H](C)OC(=O)[C@@H]2C[C@@H](C)CN2C1=O ZINC000653689446 562906674 /nfs/dbraw/zinc/90/66/74/562906674.db2.gz UYEBCVHZOOGVBE-CTRGGEPUSA-N -1 0 828.911 1.737 1 0 KDAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCCNC(=O)c4cnccn4)CC3)cc21 ZINC000653708436 562907938 /nfs/dbraw/zinc/90/79/38/562907938.db2.gz BOLWZOIXSBRLTI-UHFFFAOYSA-N -1 0 510.526 1.508 1 0 KDAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CCCNC(=O)c4cnccn4)CC3)c(F)cc2c1=O ZINC000653711358 562908124 /nfs/dbraw/zinc/90/81/24/562908124.db2.gz BXRVQHWHIUYWAY-UHFFFAOYSA-N -1 0 522.537 1.823 1 0 KDAFRM C[C@H](NC(=O)c1cnccn1)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000653711373 562908158 /nfs/dbraw/zinc/90/81/58/562908158.db2.gz DQSDIRXTUUEHFV-AWEZNQCLSA-N -1 0 508.510 1.431 1 0 KDAFRM CC1(C)N(O)C(c2ccc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)=[N+](O)C1(C)C ZINC000653729216 562909364 /nfs/dbraw/zinc/90/93/64/562909364.db2.gz GZJXQJSXLDIOSJ-VXKWHMMOSA-N -1 0 599.617 1.408 1 0 KDAFRM COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccc(Cl)cc1 ZINC000653745046 562910280 /nfs/dbraw/zinc/91/02/80/562910280.db2.gz VLMPFQKOAJPLEM-FPTJADEHSA-N -1 0 521.822 1.745 1 0 KDAFRM C[C@@H]([C@@H](O)CSc1nnnn1C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000653794090 562912896 /nfs/dbraw/zinc/91/28/96/562912896.db2.gz LBIAMUVNRKJQPP-RBZFPXEDSA-N -1 0 517.587 1.361 1 0 KDAFRM C[C@@H]([C@H](O)CSc1nnnn1C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000653794091 562912869 /nfs/dbraw/zinc/91/28/69/562912869.db2.gz LBIAMUVNRKJQPP-RNODOKPDSA-N -1 0 517.587 1.361 1 0 KDAFRM C[C@H]([C@@H](O)CSc1nnnn1C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000653794092 562912874 /nfs/dbraw/zinc/91/28/74/562912874.db2.gz LBIAMUVNRKJQPP-XCLFUZPHSA-N -1 0 517.587 1.361 1 0 KDAFRM C[C@H]([C@H](O)CSc1nnnn1C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000653794093 562912860 /nfs/dbraw/zinc/91/28/60/562912860.db2.gz LBIAMUVNRKJQPP-ZUOKHONESA-N -1 0 517.587 1.361 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)c1ccccc1 ZINC000653804951 562913575 /nfs/dbraw/zinc/91/35/75/562913575.db2.gz AIUBFPYLTHHRJW-ORYMTKCHSA-N -1 0 736.763 1.317 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)Cc1ccccc1 ZINC000653804952 562913582 /nfs/dbraw/zinc/91/35/82/562913582.db2.gz AKFBTNPRQQHLIY-YDPTYEFTSA-N -1 0 750.790 1.246 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)CCc1ccccc1 ZINC000653804979 562913627 /nfs/dbraw/zinc/91/36/27/562913627.db2.gz IYHOZTQNMOPYQJ-YRCZKMHPSA-N -1 0 764.817 1.636 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc2cc(OP(=O)([O-])[O-])ccc2[nH]1 ZINC000653805001 562913658 /nfs/dbraw/zinc/91/36/58/562913658.db2.gz NLKJWFQOVLIRCI-LSQMVHIFSA-N -1 0 628.623 1.071 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)/C=C/c1ccccc1 ZINC000653805016 562913632 /nfs/dbraw/zinc/91/36/32/562913632.db2.gz RFVBYQQWMIHGDR-RHYSZZMWSA-N -1 0 762.801 1.716 1 0 KDAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc2cc(OP(=O)([O-])[O-])ccc2o1 ZINC000653807589 562913697 /nfs/dbraw/zinc/91/36/97/562913697.db2.gz VHSYDPKYOYFBKB-VABKMULXSA-N -1 0 629.607 1.336 1 0 KDAFRM O=C([O-])Cn1cc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc3ccccc3)c2)nn1 ZINC000653817167 562914026 /nfs/dbraw/zinc/91/40/26/562914026.db2.gz QMTOKXZHLCYPTM-NRFANRHFSA-N -1 0 506.519 1.886 1 0 KDAFRM COc1ncnc([N-]S(=O)(=O)c2ccc(NCc3cnc4nc(NC(C)=O)[nH]c(=O)c4n3)cc2)c1OC ZINC000653834578 562914644 /nfs/dbraw/zinc/91/46/44/562914644.db2.gz YCXHXMXBWXYKJP-UHFFFAOYSA-N -1 0 527.523 1.304 1 0 KDAFRM COc1cc([N-]S(=O)(=O)c2ccc(NCc3cnc4nc(NC(C)=O)[nH]c(=O)c4n3)cc2)nc(OC)n1 ZINC000653837942 562914809 /nfs/dbraw/zinc/91/48/09/562914809.db2.gz XNOPQJLIGQNXQG-UHFFFAOYSA-N -1 0 527.523 1.304 1 0 KDAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000653840722 562914866 /nfs/dbraw/zinc/91/48/66/562914866.db2.gz UHTDFUVGRCNALT-VXKWHMMOSA-N -1 0 526.590 1.372 1 0 KDAFRM Nc1nc(-c2ccc3ccccc3c2)cc2c1nnn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000653861024 562915942 /nfs/dbraw/zinc/91/59/42/562915942.db2.gz CICJAYJRJCHZLO-VBHAUSMQSA-N -1 0 592.590 1.245 1 0 KDAFRM COc1ccc2cc(-c3cc4c(nnn4[C@@H]4O[C@H](COS(=O)(=O)[N-]C(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c(N)n3)ccc2c1 ZINC000653861027 562915934 /nfs/dbraw/zinc/91/59/34/562915934.db2.gz CWRCKROMDSVTJU-ZYWWQZICSA-N -1 0 622.616 1.254 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)O2 ZINC000653862756 562916069 /nfs/dbraw/zinc/91/60/69/562916069.db2.gz JAERTAWVXGMZAS-CUVVAGTFSA-N -1 0 505.612 1.884 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)O2 ZINC000653862759 562916071 /nfs/dbraw/zinc/91/60/71/562916071.db2.gz JAERTAWVXGMZAS-DYLHXGEVSA-N -1 0 505.612 1.884 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)C(C)C)O2 ZINC000653862773 562916058 /nfs/dbraw/zinc/91/60/58/562916058.db2.gz LCRJTDOZEXXION-DXCNDIKUSA-N -1 0 661.797 1.141 1 0 KDAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)C(C)C)O2 ZINC000653862774 562916044 /nfs/dbraw/zinc/91/60/44/562916044.db2.gz LCRJTDOZEXXION-GHTOCUPCSA-N -1 0 661.797 1.141 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000653878527 562916706 /nfs/dbraw/zinc/91/67/06/562916706.db2.gz YUQHXVFGBLSIRH-OQDYCTGWSA-N -1 0 689.851 1.919 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000653878528 562916700 /nfs/dbraw/zinc/91/67/00/562916700.db2.gz YUQHXVFGBLSIRH-TUDPMURBSA-N -1 0 689.851 1.919 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000653912230 562917679 /nfs/dbraw/zinc/91/76/79/562917679.db2.gz VUIUQFAVYFPSCY-DWQDWMDSSA-N -1 0 634.771 1.528 1 0 KDAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000653912231 562917697 /nfs/dbraw/zinc/91/76/97/562917697.db2.gz VUIUQFAVYFPSCY-OMXBDNNUSA-N -1 0 634.771 1.528 1 0 KDAFRM NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CCCCC(=O)[O-])cc1 ZINC000017356949 561755062 /nfs/dbraw/zinc/75/50/62/561755062.db2.gz WINKSDXEBNIBFY-UHFFFAOYSA-N -1 0 524.646 1.811 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000061947785 562704174 /nfs/dbraw/zinc/70/41/74/562704174.db2.gz KCVSHIQBOIBIFV-FVJLSDCUSA-N -1 0 525.649 1.599 3 0 KDAFRM COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c([N-]S(=O)(=O)c4cn(C)cn4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000064732430 562709075 /nfs/dbraw/zinc/70/90/75/562709075.db2.gz XZCKVFSOOMBZIB-JXQFQVJHSA-N -1 0 621.738 1.770 3 0 KDAFRM COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c([N-]S(C)(=O)=O)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000066123330 562712451 /nfs/dbraw/zinc/71/24/51/562712451.db2.gz KOVDAVMRVULTDV-JLHGSKIFSA-N -1 0 555.675 1.608 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000066123820 562712602 /nfs/dbraw/zinc/71/26/02/562712602.db2.gz IIYDGJOKBTZSDG-SQGPQFPESA-N -1 0 597.741 1.823 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O ZINC000066129651 562712992 /nfs/dbraw/zinc/71/29/92/562712992.db2.gz ZNMQPZDBJVTUMJ-SQGPQFPESA-N -1 0 597.741 1.823 3 0 KDAFRM Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000066139024 562713387 /nfs/dbraw/zinc/71/33/87/562713387.db2.gz DBDQGEIOPQZXIR-WJONJSRFSA-N -1 0 610.715 1.367 3 0 KDAFRM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000066139638 562713502 /nfs/dbraw/zinc/71/35/02/562713502.db2.gz XSQLGYJHCOYBIN-SPEDKVCISA-N -1 0 611.768 1.752 3 0 KDAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000066148710 562713690 /nfs/dbraw/zinc/71/36/90/562713690.db2.gz BVQRRNZWZDOWNO-CSODHUTKSA-N -1 0 536.655 1.491 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066156363 562713743 /nfs/dbraw/zinc/71/37/43/562713743.db2.gz ISSNNDUSBFKKCG-YZZKKUAISA-N -1 0 609.702 1.901 3 0 KDAFRM COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc([N-]S(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000066165766 562713951 /nfs/dbraw/zinc/71/39/51/562713951.db2.gz UGLXRWBGEKNYRM-MHPIHPPYSA-N -1 0 621.738 1.770 3 0 KDAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072135086 562727453 /nfs/dbraw/zinc/72/74/53/562727453.db2.gz MPRQXJPOFINPDK-SQGPQFPESA-N -1 0 536.655 1.491 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000072135979 562727683 /nfs/dbraw/zinc/72/76/83/562727683.db2.gz WCIIFYQIXHFQSD-CSODHUTKSA-N -1 0 597.741 1.823 3 0 KDAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072136943 562728227 /nfs/dbraw/zinc/72/82/27/562728227.db2.gz PQHOGXIAAGVYKU-YCRNBWNJSA-N -1 0 591.712 1.762 3 0 KDAFRM COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c([N-]S(=O)(=O)c4cn(C)cn4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072140883 562729226 /nfs/dbraw/zinc/72/92/26/562729226.db2.gz XZCKVFSOOMBZIB-XLNZFTOWSA-N -1 0 621.738 1.770 3 0 KDAFRM CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@H]2CC(=O)[C@]3(C)[C@@H](CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]34O[C@@H]4C(=O)[O-])[C@]21C ZINC000072151433 562730111 /nfs/dbraw/zinc/73/01/11/562730111.db2.gz GIVMXHQLQAIYEX-LSAUAFPSSA-N -1 0 694.727 1.035 3 0 KDAFRM CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@@H](CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]34O[C@@H]4C(=O)[O-])[C@]21C ZINC000072151434 562730118 /nfs/dbraw/zinc/73/01/18/562730118.db2.gz GIVMXHQLQAIYEX-RVXGXUISSA-N -1 0 694.727 1.035 3 0 KDAFRM CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@H]2CC(=O)[C@]3(C)[C@H](CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]34O[C@@H]4C(=O)[O-])[C@]21C ZINC000072151435 562730115 /nfs/dbraw/zinc/73/01/15/562730115.db2.gz GIVMXHQLQAIYEX-IZBPQCKOSA-N -1 0 694.727 1.035 3 0 KDAFRM CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]34O[C@@H]4C(=O)[O-])[C@]21C ZINC000072151436 562730121 /nfs/dbraw/zinc/73/01/21/562730121.db2.gz GIVMXHQLQAIYEX-ANSWNMHUSA-N -1 0 694.727 1.035 3 0 KDAFRM Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095570376 562768150 /nfs/dbraw/zinc/76/81/50/562768150.db2.gz RTZMAXAHKRIPCB-GCKMJXCFSA-N -1 0 610.715 1.367 3 0 KDAFRM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095833263 562789350 /nfs/dbraw/zinc/78/93/50/562789350.db2.gz ISSNNDUSBFKKCG-BSRJHKFKSA-N -1 0 609.702 1.901 3 0 KDAFRM