smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC(c2ccccc2)CC1 ZINC001311349031 1069335545 /nfs/dbraw/zinc/33/55/45/1069335545.db2.gz LICKNOUKFSZUNP-JEUPEJDTSA-N 1 2 451.611 3.930 20 0 JHADLO COC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC(c2ccccc2)CC1 ZINC001311349031 1069335555 /nfs/dbraw/zinc/33/55/55/1069335555.db2.gz LICKNOUKFSZUNP-JEUPEJDTSA-N 1 2 451.611 3.930 20 0 JHADLO O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311349246 1069335974 /nfs/dbraw/zinc/33/59/74/1069335974.db2.gz LWSMQSDUWLUJGR-IBGZPJMESA-N 1 2 452.382 3.963 20 0 JHADLO O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311349246 1069335985 /nfs/dbraw/zinc/33/59/85/1069335985.db2.gz LWSMQSDUWLUJGR-IBGZPJMESA-N 1 2 452.382 3.963 20 0 JHADLO O=C(NCc1ccccc1Cn1cncn1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311372421 1069348522 /nfs/dbraw/zinc/34/85/22/1069348522.db2.gz GQAOMXTULGSYMK-NRFANRHFSA-N 1 2 456.953 3.755 20 0 JHADLO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306650946 1069362515 /nfs/dbraw/zinc/36/25/15/1069362515.db2.gz ZMDPARBBQSXBIT-OAQYLSRUSA-N 1 2 490.643 3.569 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCCCc2nnc[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311451583 1069384883 /nfs/dbraw/zinc/38/48/83/1069384883.db2.gz KCOAVZDTZUNFTN-IBGZPJMESA-N 1 2 456.641 3.620 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCCCc2nnc[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC001311451583 1069384896 /nfs/dbraw/zinc/38/48/96/1069384896.db2.gz KCOAVZDTZUNFTN-IBGZPJMESA-N 1 2 456.641 3.620 20 0 JHADLO CC(C)(C)OC(=O)NC[C@]12CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]1CCCC2 ZINC001311533494 1069426327 /nfs/dbraw/zinc/42/63/27/1069426327.db2.gz LSGBBZGWRQDHOK-CJFMBICVSA-N 1 2 457.619 3.908 20 0 JHADLO CCCCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306689104 1069426737 /nfs/dbraw/zinc/42/67/37/1069426737.db2.gz YCOPGTBLJGQMKH-UHFFFAOYSA-N 1 2 456.635 3.884 20 0 JHADLO CCCCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306689104 1069426743 /nfs/dbraw/zinc/42/67/43/1069426743.db2.gz YCOPGTBLJGQMKH-UHFFFAOYSA-N 1 2 456.635 3.884 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306693730 1069430920 /nfs/dbraw/zinc/43/09/20/1069430920.db2.gz BURLJFVBCQRBFF-HXUWFJFHSA-N 1 2 478.682 3.740 20 0 JHADLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC001311706211 1069511675 /nfs/dbraw/zinc/51/16/75/1069511675.db2.gz OQJUFPSRZKEPEW-NHCUHLMSSA-N 1 2 458.971 3.538 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@H]1CC=CCC1 ZINC001311737059 1069527963 /nfs/dbraw/zinc/52/79/63/1069527963.db2.gz SRGRLONPBIDTCT-QFBILLFUSA-N 1 2 453.368 3.911 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@H]1CC=CCC1 ZINC001311737059 1069527972 /nfs/dbraw/zinc/52/79/72/1069527972.db2.gz SRGRLONPBIDTCT-QFBILLFUSA-N 1 2 453.368 3.911 20 0 JHADLO Cc1[nH]c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2c1C ZINC001311734672 1069526943 /nfs/dbraw/zinc/52/69/43/1069526943.db2.gz KKVHIDUDUBFOQV-HXUWFJFHSA-N 1 2 455.603 3.621 20 0 JHADLO O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001311751475 1069533147 /nfs/dbraw/zinc/53/31/47/1069533147.db2.gz BLVSCVXFZRBRDM-DEOSSOPVSA-N 1 2 451.521 3.609 20 0 JHADLO CCCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306777719 1069573878 /nfs/dbraw/zinc/57/38/78/1069573878.db2.gz VAJRPXVOMMCQCW-OAQYLSRUSA-N 1 2 464.614 3.989 20 0 JHADLO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001306776267 1069572391 /nfs/dbraw/zinc/57/23/91/1069572391.db2.gz RVCCDYRCHDRVDF-OAQYLSRUSA-N 1 2 481.601 3.667 20 0 JHADLO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001306776264 1069572412 /nfs/dbraw/zinc/57/24/12/1069572412.db2.gz RVCCDYRCHDRVDF-NRFANRHFSA-N 1 2 481.601 3.667 20 0 JHADLO CCOc1cc2c(cc1CNC(=O)N1CC[NH+](Cc3cc(C)ccc3OC)CC1)O[C@H](C)C2 ZINC001311854864 1069581371 /nfs/dbraw/zinc/58/13/71/1069581371.db2.gz GTMDRRCGZSMDTD-LJQANCHMSA-N 1 2 453.583 3.753 20 0 JHADLO Cc1cccc(COc2c(C)cc(CN(C)C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)cc2C)c1 ZINC001311898286 1069604033 /nfs/dbraw/zinc/60/40/33/1069604033.db2.gz TVBBRSPFYRACSR-QHCPKHFHSA-N 1 2 452.643 3.968 20 0 JHADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311974460 1069645542 /nfs/dbraw/zinc/64/55/42/1069645542.db2.gz YOIGJFLYUOWJQY-KRWDZBQOSA-N 1 2 452.477 3.803 20 0 JHADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311974460 1069645553 /nfs/dbraw/zinc/64/55/53/1069645553.db2.gz YOIGJFLYUOWJQY-KRWDZBQOSA-N 1 2 452.477 3.803 20 0 JHADLO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306854954 1069660998 /nfs/dbraw/zinc/66/09/98/1069660998.db2.gz JMRHBBXBEGEMFV-SFHVURJKSA-N 1 2 452.624 3.778 20 0 JHADLO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306854954 1069661007 /nfs/dbraw/zinc/66/10/07/1069661007.db2.gz JMRHBBXBEGEMFV-SFHVURJKSA-N 1 2 452.624 3.778 20 0 JHADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001312028669 1069683649 /nfs/dbraw/zinc/68/36/49/1069683649.db2.gz XJAKLQCPSNKSQS-UHFFFAOYSA-N 1 2 451.546 3.588 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001314175148 1069700394 /nfs/dbraw/zinc/70/03/94/1069700394.db2.gz XAMRPGXJPJACFU-NRFANRHFSA-N 1 2 492.624 3.651 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCCCC(=O)OCc3ccccc3)CC2)cc1 ZINC001312096773 1069718944 /nfs/dbraw/zinc/71/89/44/1069718944.db2.gz ICRPLQWJNKPJQD-UHFFFAOYSA-N 1 2 452.599 3.934 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001312096493 1069719074 /nfs/dbraw/zinc/71/90/74/1069719074.db2.gz CDZIYESVHZZWRP-IBGZPJMESA-N 1 2 459.635 3.620 20 0 JHADLO CCc1ccc(C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001312163396 1069759026 /nfs/dbraw/zinc/75/90/26/1069759026.db2.gz PPSUJRRYTQMIHG-QFIPXVFZSA-N 1 2 458.647 3.863 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CC(F)(F)F)cc1 ZINC001314200489 1069792135 /nfs/dbraw/zinc/79/21/35/1069792135.db2.gz ULZQCPVOBHBKAL-KRWDZBQOSA-N 1 2 494.518 3.998 20 0 JHADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001312249103 1069808512 /nfs/dbraw/zinc/80/85/12/1069808512.db2.gz LZJGZMKTTVZRNV-HXUWFJFHSA-N 1 2 450.352 3.651 20 0 JHADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312269279 1069825552 /nfs/dbraw/zinc/82/55/52/1069825552.db2.gz GKOKCCDPCFGCMT-FOVJLYNBSA-N 1 2 458.002 3.951 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314215928 1069848307 /nfs/dbraw/zinc/84/83/07/1069848307.db2.gz NPSIMFYXIHKBJD-ORFBVSJDSA-N 1 2 471.646 3.991 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314215928 1069848333 /nfs/dbraw/zinc/84/83/33/1069848333.db2.gz NPSIMFYXIHKBJD-ORFBVSJDSA-N 1 2 471.646 3.991 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314223665 1069880978 /nfs/dbraw/zinc/88/09/78/1069880978.db2.gz CTFXKYRYWXWZJZ-NHCUHLMSSA-N 1 2 489.686 3.698 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314223665 1069881003 /nfs/dbraw/zinc/88/10/03/1069881003.db2.gz CTFXKYRYWXWZJZ-NHCUHLMSSA-N 1 2 489.686 3.698 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314223666 1069881399 /nfs/dbraw/zinc/88/13/99/1069881399.db2.gz CTFXKYRYWXWZJZ-RTWAWAEBSA-N 1 2 489.686 3.698 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314223666 1069881414 /nfs/dbraw/zinc/88/14/14/1069881414.db2.gz CTFXKYRYWXWZJZ-RTWAWAEBSA-N 1 2 489.686 3.698 20 0 JHADLO COc1ccc([C@H](OC)[C@@H](C)NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001312385448 1069900685 /nfs/dbraw/zinc/90/06/85/1069900685.db2.gz XYIXZASRHUEXPF-DNRQZRRGSA-N 1 2 455.599 3.704 20 0 JHADLO C[NH+](C)C[C@@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001312391350 1069905086 /nfs/dbraw/zinc/90/50/86/1069905086.db2.gz IAORHMDDNJSJHU-RTBURBONSA-N 1 2 458.411 3.681 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424112 1069926608 /nfs/dbraw/zinc/92/66/08/1069926608.db2.gz CESMEOXIUSWJEJ-DZJZLKLXSA-N 1 2 453.892 3.984 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424112 1069926619 /nfs/dbraw/zinc/92/66/19/1069926619.db2.gz CESMEOXIUSWJEJ-DZJZLKLXSA-N 1 2 453.892 3.984 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@H](C)n2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301652 1069932687 /nfs/dbraw/zinc/93/26/87/1069932687.db2.gz NQPIGYDUDDLBHE-PXNSSMCTSA-N 1 2 454.962 3.717 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@H](C)n2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301652 1069932697 /nfs/dbraw/zinc/93/26/97/1069932697.db2.gz NQPIGYDUDDLBHE-PXNSSMCTSA-N 1 2 454.962 3.717 20 0 JHADLO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433863 1069933974 /nfs/dbraw/zinc/93/39/74/1069933974.db2.gz ZVIFTZWLKNJTNY-WMLDXEAASA-N 1 2 452.340 3.644 20 0 JHADLO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433863 1069933981 /nfs/dbraw/zinc/93/39/81/1069933981.db2.gz ZVIFTZWLKNJTNY-WMLDXEAASA-N 1 2 452.340 3.644 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314238669 1069938010 /nfs/dbraw/zinc/93/80/10/1069938010.db2.gz ANBHVFBPXOQKFW-DEQXDYIUSA-N 1 2 477.694 3.703 20 0 JHADLO CCO[C@@H]1C[C@@H](N(C)c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC001314245725 1069959964 /nfs/dbraw/zinc/95/99/64/1069959964.db2.gz GVHWAAXMILGSKW-HMXCVIKNSA-N 1 2 456.635 3.711 20 0 JHADLO O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001307417425 1069975292 /nfs/dbraw/zinc/97/52/92/1069975292.db2.gz KZDDIYXXUUSQSF-OAHLLOKOSA-N 1 2 450.288 3.969 20 0 JHADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001307420183 1069975839 /nfs/dbraw/zinc/97/58/39/1069975839.db2.gz AVCMEHRSNPHVDN-UHFFFAOYSA-N 1 2 459.587 3.912 20 0 JHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001307420183 1069975848 /nfs/dbraw/zinc/97/58/48/1069975848.db2.gz AVCMEHRSNPHVDN-UHFFFAOYSA-N 1 2 459.587 3.912 20 0 JHADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC001307429785 1069981440 /nfs/dbraw/zinc/98/14/40/1069981440.db2.gz ZFCIGBXGTSJMEX-SFHVURJKSA-N 1 2 451.596 3.772 20 0 JHADLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC001307458970 1069997457 /nfs/dbraw/zinc/99/74/57/1069997457.db2.gz MSJBSJOOQVVBQJ-FQEVSTJZSA-N 1 2 459.384 3.932 20 0 JHADLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC001307458970 1069997468 /nfs/dbraw/zinc/99/74/68/1069997468.db2.gz MSJBSJOOQVVBQJ-FQEVSTJZSA-N 1 2 459.384 3.932 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(OC)c(C)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307455260 1069995552 /nfs/dbraw/zinc/99/55/52/1069995552.db2.gz IZKNDYATNDGWFC-QFIPXVFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(OC)c(C)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307455260 1069995566 /nfs/dbraw/zinc/99/55/66/1069995566.db2.gz IZKNDYATNDGWFC-QFIPXVFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)Cc2ccc(OC)c(C)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307455260 1069995587 /nfs/dbraw/zinc/99/55/87/1069995587.db2.gz IZKNDYATNDGWFC-QFIPXVFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)Cc2ccc(OC)c(C)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307455260 1069995603 /nfs/dbraw/zinc/99/56/03/1069995603.db2.gz IZKNDYATNDGWFC-QFIPXVFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOc1cccc(N2CC[NH+](CC(=O)N3CCCCC[C@@H]3c3ccc(OC)cc3)CC2)n1 ZINC001307461135 1069998514 /nfs/dbraw/zinc/99/85/14/1069998514.db2.gz IADREXGDTHBGLX-HSZRJFAPSA-N 1 2 452.599 3.755 20 0 JHADLO CCOc1cccc(N2CC[NH+](CC(=O)N3CCCCC[C@H]3c3ccc(OC)cc3)CC2)n1 ZINC001307461136 1069998967 /nfs/dbraw/zinc/99/89/67/1069998967.db2.gz IADREXGDTHBGLX-QHCPKHFHSA-N 1 2 452.599 3.755 20 0 JHADLO COc1ccc(-c2nc(NC(=O)CN3CC[NH+]([C@@H](C)c4cccnc4)CC3)sc2C)cc1 ZINC001307482416 1070009508 /nfs/dbraw/zinc/00/95/08/1070009508.db2.gz FSESNRIUIIETBF-KRWDZBQOSA-N 1 2 451.596 3.839 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC001307513168 1070027803 /nfs/dbraw/zinc/02/78/03/1070027803.db2.gz HXTZIPVERNWKMS-SIBVEZHUSA-N 1 2 453.583 3.952 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC001307513168 1070027819 /nfs/dbraw/zinc/02/78/19/1070027819.db2.gz HXTZIPVERNWKMS-SIBVEZHUSA-N 1 2 453.583 3.952 20 0 JHADLO CC[C@@H]1C[N@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC001307512013 1070028140 /nfs/dbraw/zinc/02/81/40/1070028140.db2.gz ZJCKFOGABJWFOX-VDKIKQQVSA-N 1 2 457.640 3.736 20 0 JHADLO CC[C@@H]1C[N@@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC001307512013 1070028159 /nfs/dbraw/zinc/02/81/59/1070028159.db2.gz ZJCKFOGABJWFOX-VDKIKQQVSA-N 1 2 457.640 3.736 20 0 JHADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307513479 1070027299 /nfs/dbraw/zinc/02/72/99/1070027299.db2.gz KRQDBUJGSQQIGG-WMQCIHAUSA-N 1 2 456.587 3.614 20 0 JHADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307513479 1070027317 /nfs/dbraw/zinc/02/73/17/1070027317.db2.gz KRQDBUJGSQQIGG-WMQCIHAUSA-N 1 2 456.587 3.614 20 0 JHADLO COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001307523963 1070032521 /nfs/dbraw/zinc/03/25/21/1070032521.db2.gz QROXQPDLMDXNEB-OAQYLSRUSA-N 1 2 452.473 3.755 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c1 ZINC001312593098 1070033728 /nfs/dbraw/zinc/03/37/28/1070033728.db2.gz WZYYBDLVJJNTLT-BHIFYINESA-N 1 2 458.400 3.814 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c1 ZINC001312593098 1070033744 /nfs/dbraw/zinc/03/37/44/1070033744.db2.gz WZYYBDLVJJNTLT-BHIFYINESA-N 1 2 458.400 3.814 20 0 JHADLO CCOCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001314279957 1070041869 /nfs/dbraw/zinc/04/18/69/1070041869.db2.gz LJCBINJSRBVUPC-UHFFFAOYSA-N 1 2 480.451 3.539 20 0 JHADLO CCOC1CC(CNC(=O)N2CCC[C@]2(C)Cc2cccc(Cl)c2)([NH+]2CCOCC2)C1 ZINC001312617776 1070046658 /nfs/dbraw/zinc/04/66/58/1070046658.db2.gz GBLAYBJXXSWWIN-SHSGKGFPSA-N 1 2 450.023 3.717 20 0 JHADLO CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001314284985 1070056273 /nfs/dbraw/zinc/05/62/73/1070056273.db2.gz DPKGUZOMKNGNNK-NRFANRHFSA-N 1 2 472.653 3.752 20 0 JHADLO CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001314284986 1070056436 /nfs/dbraw/zinc/05/64/36/1070056436.db2.gz DPKGUZOMKNGNNK-OAQYLSRUSA-N 1 2 472.653 3.752 20 0 JHADLO COC(=O)c1csc(CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC001307597362 1070072819 /nfs/dbraw/zinc/07/28/19/1070072819.db2.gz NPVHNYIRYOOKKP-UHFFFAOYSA-N 1 2 451.592 3.854 20 0 JHADLO CC(C)[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC001307607804 1070080198 /nfs/dbraw/zinc/08/01/98/1070080198.db2.gz BEMISIOZYRIGLJ-UHFFFAOYSA-N 1 2 459.594 3.585 20 0 JHADLO CC(C)[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC001307607804 1070080219 /nfs/dbraw/zinc/08/02/19/1070080219.db2.gz BEMISIOZYRIGLJ-UHFFFAOYSA-N 1 2 459.594 3.585 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314305605 1070092277 /nfs/dbraw/zinc/09/22/77/1070092277.db2.gz YGZVCJWHJOLVPH-JOCHJYFZSA-N 1 2 499.603 3.678 20 0 JHADLO CCOCc1nnc(N(C)Cc2cccs2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001314308243 1070096025 /nfs/dbraw/zinc/09/60/25/1070096025.db2.gz CXIDDLHQSAXFTO-JOCHJYFZSA-N 1 2 455.628 3.894 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314313906 1070100015 /nfs/dbraw/zinc/10/00/15/1070100015.db2.gz ZCYOWFXFLAVWRS-WIOPSUGQSA-N 1 2 464.614 3.928 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001312767930 1070111967 /nfs/dbraw/zinc/11/19/67/1070111967.db2.gz DHQBDSPXOPOEID-GDBMZVCRSA-N 1 2 458.828 3.885 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)C1 ZINC001307715544 1070141525 /nfs/dbraw/zinc/14/15/25/1070141525.db2.gz KRFJHGLZPFGLPS-QHCPKHFHSA-N 1 2 457.554 3.560 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)C1 ZINC001307715544 1070141532 /nfs/dbraw/zinc/14/15/32/1070141532.db2.gz KRFJHGLZPFGLPS-QHCPKHFHSA-N 1 2 457.554 3.560 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)[C@H](C)S(C)(=O)=O)cc1 ZINC001307727458 1070151880 /nfs/dbraw/zinc/15/18/80/1070151880.db2.gz UQNOEIRPXWIJFZ-YWZLYKJASA-N 1 2 453.402 3.768 20 0 JHADLO O=C(C[N@H+](CCc1ccccn1)Cc1cccnc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307732945 1070155832 /nfs/dbraw/zinc/15/58/32/1070155832.db2.gz SQHRJZCTEJTJNP-UHFFFAOYSA-N 1 2 457.578 3.832 20 0 JHADLO O=C(C[N@@H+](CCc1ccccn1)Cc1cccnc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307732945 1070155836 /nfs/dbraw/zinc/15/58/36/1070155836.db2.gz SQHRJZCTEJTJNP-UHFFFAOYSA-N 1 2 457.578 3.832 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(F)cc1Cl ZINC001314354553 1070175323 /nfs/dbraw/zinc/17/53/23/1070175323.db2.gz HLYRXMSQJLROIM-UHFFFAOYSA-N 1 2 458.969 3.874 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](CC(=O)N(Cc2ccccc2)C2CC2)Cc2ccccc2)C1 ZINC001307826848 1070202578 /nfs/dbraw/zinc/20/25/78/1070202578.db2.gz LJCCSULRBAJAMK-JWQCQUIFSA-N 1 2 479.621 3.660 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)Cc2ccccc2)C1 ZINC001307826848 1070202584 /nfs/dbraw/zinc/20/25/84/1070202584.db2.gz LJCCSULRBAJAMK-JWQCQUIFSA-N 1 2 479.621 3.660 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C1 ZINC001307841206 1070208855 /nfs/dbraw/zinc/20/88/55/1070208855.db2.gz YJRMTMTUXALXRF-QFBILLFUSA-N 1 2 470.595 3.880 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C1 ZINC001307841206 1070208863 /nfs/dbraw/zinc/20/88/63/1070208863.db2.gz YJRMTMTUXALXRF-QFBILLFUSA-N 1 2 470.595 3.880 20 0 JHADLO CCOC(=O)c1csc(C[NH+]2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)n1 ZINC001307839593 1070207172 /nfs/dbraw/zinc/20/71/72/1070207172.db2.gz IGTYVDQSVMRCBE-SJLPKXTDSA-N 1 2 453.605 3.604 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849245 1070210524 /nfs/dbraw/zinc/21/05/24/1070210524.db2.gz BASTTWZLKCPHJM-HUUCEWRRSA-N 1 2 450.601 3.652 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849245 1070210531 /nfs/dbraw/zinc/21/05/31/1070210531.db2.gz BASTTWZLKCPHJM-HUUCEWRRSA-N 1 2 450.601 3.652 20 0 JHADLO CCO[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900987 1070231413 /nfs/dbraw/zinc/23/14/13/1070231413.db2.gz UTNGINLTFVCMEN-NIKGAXFTSA-N 1 2 472.413 3.960 20 0 JHADLO CCO[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900987 1070231426 /nfs/dbraw/zinc/23/14/26/1070231426.db2.gz UTNGINLTFVCMEN-NIKGAXFTSA-N 1 2 472.413 3.960 20 0 JHADLO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001313092713 1070248864 /nfs/dbraw/zinc/24/88/64/1070248864.db2.gz BJBNHDQQLHXSEP-QHCPKHFHSA-N 1 2 454.640 3.877 20 0 JHADLO Clc1ccc2ccc(C[NH+]3CCC(n4nncc4I)CC3)nc2c1 ZINC001307934818 1070249509 /nfs/dbraw/zinc/24/95/09/1070249509.db2.gz QAXWLFKSDWEZJO-UHFFFAOYSA-N 1 2 453.715 3.921 20 0 JHADLO O=C(N1CCC[C@H](C2CC[NH+](Cc3ncc(Br)cc3F)CC2)C1)C(F)(F)F ZINC001307940831 1070251697 /nfs/dbraw/zinc/25/16/97/1070251697.db2.gz JXSDXCRZJPWYMC-ZDUSSCGKSA-N 1 2 452.290 3.996 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001307969271 1070262997 /nfs/dbraw/zinc/26/29/97/1070262997.db2.gz LNOAJISVQPINEH-MRXNPFEDSA-N 1 2 456.930 3.606 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001307969271 1070263007 /nfs/dbraw/zinc/26/30/07/1070263007.db2.gz LNOAJISVQPINEH-MRXNPFEDSA-N 1 2 456.930 3.606 20 0 JHADLO COC(=O)[C@@]1(C)C[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC001307995763 1070273621 /nfs/dbraw/zinc/27/36/21/1070273621.db2.gz FWFQFWJOWQWJLS-RVPKQNPDSA-N 1 2 462.182 3.670 20 0 JHADLO CCOCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314406962 1070270227 /nfs/dbraw/zinc/27/02/27/1070270227.db2.gz VDIMRSKVGOCNMY-HOFKKMOUSA-N 1 2 485.673 3.838 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2)c1 ZINC001313152012 1070270737 /nfs/dbraw/zinc/27/07/37/1070270737.db2.gz ONEZGCOBEOGAOD-PTUXOGIPSA-N 1 2 461.965 3.818 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2)c1 ZINC001313152012 1070270754 /nfs/dbraw/zinc/27/07/54/1070270754.db2.gz ONEZGCOBEOGAOD-PTUXOGIPSA-N 1 2 461.965 3.818 20 0 JHADLO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC001307995763 1070273607 /nfs/dbraw/zinc/27/36/07/1070273607.db2.gz FWFQFWJOWQWJLS-RVPKQNPDSA-N 1 2 462.182 3.670 20 0 JHADLO COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)o1 ZINC001308008643 1070277434 /nfs/dbraw/zinc/27/74/34/1070277434.db2.gz ILJIKRURMSSXKZ-SFHVURJKSA-N 1 2 456.543 3.558 20 0 JHADLO COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)o1 ZINC001308008643 1070277448 /nfs/dbraw/zinc/27/74/48/1070277448.db2.gz ILJIKRURMSSXKZ-SFHVURJKSA-N 1 2 456.543 3.558 20 0 JHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313174125 1070281291 /nfs/dbraw/zinc/28/12/91/1070281291.db2.gz FOBAZCHGVKSRBI-KURKYZTESA-N 1 2 456.509 3.660 20 0 JHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313174125 1070281297 /nfs/dbraw/zinc/28/12/97/1070281297.db2.gz FOBAZCHGVKSRBI-KURKYZTESA-N 1 2 456.509 3.660 20 0 JHADLO CCOC(=O)c1sc(CC2CC[NH+](CC(=O)Nc3cccc4nsnc43)CC2)nc1C ZINC001308040158 1070289135 /nfs/dbraw/zinc/28/91/35/1070289135.db2.gz UBOKAMOHAAUPKN-UHFFFAOYSA-N 1 2 459.597 3.526 20 0 JHADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072098 1070302448 /nfs/dbraw/zinc/30/24/48/1070302448.db2.gz NKMBJYFUSJCKIZ-YOEHRIQHSA-N 1 2 459.509 3.998 20 0 JHADLO C[C@H](NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072098 1070302467 /nfs/dbraw/zinc/30/24/67/1070302467.db2.gz NKMBJYFUSJCKIZ-YOEHRIQHSA-N 1 2 459.509 3.998 20 0 JHADLO Cc1ccc(C(=O)N2CCN(C(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)CC2)cc1 ZINC001313246942 1070303980 /nfs/dbraw/zinc/30/39/80/1070303980.db2.gz IWPDRPRMHQLSAP-UHFFFAOYSA-N 1 2 457.578 3.564 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(C(C)(C)C)s3)C2)CC1 ZINC001313247990 1070304501 /nfs/dbraw/zinc/30/45/01/1070304501.db2.gz YMTCDTVCTURMNP-KRWDZBQOSA-N 1 2 450.649 3.882 20 0 JHADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308112568 1070317730 /nfs/dbraw/zinc/31/77/30/1070317730.db2.gz JUBBIPOKOISKRD-CYBMUJFWSA-N 1 2 456.395 3.847 20 0 JHADLO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCOc4cc(C(=O)OC)ccc4C3)cc(=O)oc2c1 ZINC001308147690 1070329418 /nfs/dbraw/zinc/32/94/18/1070329418.db2.gz FIXDTBFWUONFNA-UHFFFAOYSA-N 1 2 452.463 3.543 20 0 JHADLO CCOC(=O)Nc1ccc2c(C[N@H+]3CCOc4cc(C(=O)OC)ccc4C3)cc(=O)oc2c1 ZINC001308147690 1070329427 /nfs/dbraw/zinc/32/94/27/1070329427.db2.gz FIXDTBFWUONFNA-UHFFFAOYSA-N 1 2 452.463 3.543 20 0 JHADLO O=C(N[C@@H]1CCOCC12CCCC2)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001313415788 1070352622 /nfs/dbraw/zinc/35/26/22/1070352622.db2.gz FMEMNLGVMTVBJD-QGZVFWFLSA-N 1 2 451.365 3.800 20 0 JHADLO CCCn1nc(-c2nnc(N(C)CC)n2Cc2ccc(N(CC)CC)[nH+]c2)c2ccccc2c1=O ZINC001313452391 1070382571 /nfs/dbraw/zinc/38/25/71/1070382571.db2.gz HUHUALYZQPEUSI-UHFFFAOYSA-N 1 2 474.613 3.811 20 0 JHADLO CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314484342 1070397255 /nfs/dbraw/zinc/39/72/55/1070397255.db2.gz VFKUGGKOZNHVKR-UHFFFAOYSA-N 1 2 475.366 3.605 20 0 JHADLO Cn1cc(-c2ccc(C[N@@H+]3CCCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2)cn1 ZINC001308599165 1070398308 /nfs/dbraw/zinc/39/83/08/1070398308.db2.gz LFYJJBPFJBPVDQ-UHFFFAOYSA-N 1 2 451.017 3.699 20 0 JHADLO Cn1cc(-c2ccc(C[N@H+]3CCCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2)cn1 ZINC001308599165 1070398323 /nfs/dbraw/zinc/39/83/23/1070398323.db2.gz LFYJJBPFJBPVDQ-UHFFFAOYSA-N 1 2 451.017 3.699 20 0 JHADLO Clc1cccc(N2CCOCC2)c1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC001308623558 1070404176 /nfs/dbraw/zinc/40/41/76/1070404176.db2.gz FEJYASYUHFVNKP-UHFFFAOYSA-N 1 2 451.796 3.656 20 0 JHADLO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(C(=O)C(F)(F)F)CC3)cc2OC)o1 ZINC001308700127 1070421176 /nfs/dbraw/zinc/42/11/76/1070421176.db2.gz KQJXBVLIQNXYEN-UHFFFAOYSA-N 1 2 455.429 3.997 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC001308721145 1070425099 /nfs/dbraw/zinc/42/50/99/1070425099.db2.gz QIFXTLZAILOZJE-UHFFFAOYSA-N 1 2 454.958 3.829 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001313465195 1070432629 /nfs/dbraw/zinc/43/26/29/1070432629.db2.gz MJZUPXDMUKLDIJ-IFMALSPDSA-N 1 2 454.619 3.599 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001313465200 1070432739 /nfs/dbraw/zinc/43/27/39/1070432739.db2.gz MJZUPXDMUKLDIJ-UNMCSNQZSA-N 1 2 454.619 3.599 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001313471206 1070460256 /nfs/dbraw/zinc/46/02/56/1070460256.db2.gz YVAKSIKKGMQSLM-HXUWFJFHSA-N 1 2 476.616 3.899 20 0 JHADLO FC(F)(F)c1ccnc([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4Br)nn3)C2)n1 ZINC001308961066 1070466260 /nfs/dbraw/zinc/46/62/60/1070466260.db2.gz PWOHOFFUEPYRNZ-GFCCVEGCSA-N 1 2 453.266 3.828 20 0 JHADLO FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4Br)nn3)C2)n1 ZINC001308961066 1070466265 /nfs/dbraw/zinc/46/62/65/1070466265.db2.gz PWOHOFFUEPYRNZ-GFCCVEGCSA-N 1 2 453.266 3.828 20 0 JHADLO Cn1cc(C[N@H+](C)CCCCCCNC(=O)OC(C)(C)C)c(I)n1 ZINC001308934928 1070462154 /nfs/dbraw/zinc/46/21/54/1070462154.db2.gz YVGBMAKUJJIKDQ-UHFFFAOYSA-N 1 2 450.365 3.542 20 0 JHADLO Cn1cc(C[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)c(I)n1 ZINC001308934928 1070462164 /nfs/dbraw/zinc/46/21/64/1070462164.db2.gz YVGBMAKUJJIKDQ-UHFFFAOYSA-N 1 2 450.365 3.542 20 0 JHADLO CC(C)(C)OC(=O)N(CCO)[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001308987547 1070471419 /nfs/dbraw/zinc/47/14/19/1070471419.db2.gz QCPJFHQCDGOIDR-OAHLLOKOSA-N 1 2 454.365 3.784 20 0 JHADLO CC(C)(C)OC(=O)N(CCO)[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001308987547 1070471422 /nfs/dbraw/zinc/47/14/22/1070471422.db2.gz QCPJFHQCDGOIDR-OAHLLOKOSA-N 1 2 454.365 3.784 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001313474994 1070473873 /nfs/dbraw/zinc/47/38/73/1070473873.db2.gz QXVJYDLPTNMKSV-UHFFFAOYSA-N 1 2 467.662 3.653 20 0 JHADLO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC001309029140 1070495337 /nfs/dbraw/zinc/49/53/37/1070495337.db2.gz WRGMZAMSAVRBIN-IBGZPJMESA-N 1 2 454.951 3.771 20 0 JHADLO CCCOc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC001309101830 1070541199 /nfs/dbraw/zinc/54/11/99/1070541199.db2.gz WITAPVWRGPCGLD-UHFFFAOYSA-N 1 2 452.020 3.619 20 0 JHADLO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001309157857 1070575695 /nfs/dbraw/zinc/57/56/95/1070575695.db2.gz SAJHIJOVWWFUGG-SFHVURJKSA-N 1 2 454.951 3.599 20 0 JHADLO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001309157857 1070575705 /nfs/dbraw/zinc/57/57/05/1070575705.db2.gz SAJHIJOVWWFUGG-SFHVURJKSA-N 1 2 454.951 3.599 20 0 JHADLO CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001313562125 1070680061 /nfs/dbraw/zinc/68/00/61/1070680061.db2.gz VLZOKAFMPIBYKH-INIZCTEOSA-N 1 2 456.978 3.732 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c[nH+]ccc2OC)C1 ZINC001314610373 1070673041 /nfs/dbraw/zinc/67/30/41/1070673041.db2.gz QVCDKPOYYYUVLH-DSKINZAPSA-N 1 2 461.632 3.566 20 0 JHADLO CCSCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314610521 1070673686 /nfs/dbraw/zinc/67/36/86/1070673686.db2.gz ONMJXXFAFKJQNX-UHFFFAOYSA-N 1 2 453.616 3.522 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314613836 1070681857 /nfs/dbraw/zinc/68/18/57/1070681857.db2.gz KMPSGCCEFCDWSF-DOIPELPJSA-N 1 2 467.724 3.885 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001314613836 1070681859 /nfs/dbraw/zinc/68/18/59/1070681859.db2.gz KMPSGCCEFCDWSF-DOIPELPJSA-N 1 2 467.724 3.885 20 0 JHADLO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC001313582479 1070703472 /nfs/dbraw/zinc/70/34/72/1070703472.db2.gz PRXJMMHPHKMOKN-FQEVSTJZSA-N 1 2 485.658 3.513 20 0 JHADLO CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC001313583532 1070706069 /nfs/dbraw/zinc/70/60/69/1070706069.db2.gz TXDCCTRTUGXGIM-UHFFFAOYSA-N 1 2 474.407 3.550 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCNc2cccc[nH+]2)C1 ZINC001314624336 1070709182 /nfs/dbraw/zinc/70/91/82/1070709182.db2.gz FDBGGTFGKOJKAF-FQEVSTJZSA-N 1 2 478.601 3.683 20 0 JHADLO COc1ccc(Cl)cc1S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001309389306 1070739938 /nfs/dbraw/zinc/73/99/38/1070739938.db2.gz CVUZLUIOSXAJPH-UHFFFAOYSA-N 1 2 458.765 3.588 20 0 JHADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001309387725 1070738726 /nfs/dbraw/zinc/73/87/26/1070738726.db2.gz MGQMVAXIIPIFTQ-HXUWFJFHSA-N 1 2 452.576 3.912 20 0 JHADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001309387725 1070738733 /nfs/dbraw/zinc/73/87/33/1070738733.db2.gz MGQMVAXIIPIFTQ-HXUWFJFHSA-N 1 2 452.576 3.912 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCSC(C)(C)C1)c1c(F)cccc1F ZINC001314649836 1070757040 /nfs/dbraw/zinc/75/70/40/1070757040.db2.gz DVFUINFJRVJVDE-CRAIPNDOSA-N 1 2 451.587 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314650885 1070759840 /nfs/dbraw/zinc/75/98/40/1070759840.db2.gz MJMNLOAFBALZPP-PWIZWCRZSA-N 1 2 463.573 3.614 20 0 JHADLO CN(C)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC=C(Br)C2)c[nH+]1 ZINC001314658702 1070779862 /nfs/dbraw/zinc/77/98/62/1070779862.db2.gz GKFWXNSDFMJXNR-UHFFFAOYSA-N 1 2 487.377 3.994 20 0 JHADLO CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001314660050 1070783409 /nfs/dbraw/zinc/78/34/09/1070783409.db2.gz DWQOZATWLPMHLU-UHFFFAOYSA-N 1 2 487.530 3.679 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)c[nH+]1 ZINC001314660696 1070784435 /nfs/dbraw/zinc/78/44/35/1070784435.db2.gz HOJRVYGVVXMBAI-UHFFFAOYSA-N 1 2 496.704 3.977 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c[nH+]1 ZINC001314661145 1070785937 /nfs/dbraw/zinc/78/59/37/1070785937.db2.gz KPYNLVFKZFRIPJ-ZWKOTPCHSA-N 1 2 468.524 3.577 20 0 JHADLO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1OC ZINC001309485906 1070800301 /nfs/dbraw/zinc/80/03/01/1070800301.db2.gz JYZMEUCWPFWBJU-QGZVFWFLSA-N 1 2 450.944 3.760 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccsc2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001314709160 1070884426 /nfs/dbraw/zinc/88/44/26/1070884426.db2.gz VIIPFAFZEJRZNF-UHFFFAOYSA-N 1 2 463.611 3.515 20 0 JHADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 ZINC001309633317 1070894067 /nfs/dbraw/zinc/89/40/67/1070894067.db2.gz ZXVVNXKNVQCTBH-UHFFFAOYSA-N 1 2 454.514 3.973 20 0 JHADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 ZINC001309633317 1070894078 /nfs/dbraw/zinc/89/40/78/1070894078.db2.gz ZXVVNXKNVQCTBH-UHFFFAOYSA-N 1 2 454.514 3.973 20 0 JHADLO CN(CC(F)(F)F)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314712483 1070897350 /nfs/dbraw/zinc/89/73/50/1070897350.db2.gz OOMCAUDGNVEFFV-UHFFFAOYSA-N 1 2 491.905 3.750 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccs2)c[nH+]1 ZINC001313674263 1070910725 /nfs/dbraw/zinc/91/07/25/1070910725.db2.gz RQASPTQZSHPKNB-UHFFFAOYSA-N 1 2 476.610 3.913 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)c1ccco1 ZINC001313676947 1070923667 /nfs/dbraw/zinc/92/36/67/1070923667.db2.gz HBEILPYVGMLSGE-FCHUYYIVSA-N 1 2 485.654 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(C)(COC)CC2)c[nH+]1 ZINC001313677230 1070924360 /nfs/dbraw/zinc/92/43/60/1070924360.db2.gz LZTWLNFOEQJLBE-UHFFFAOYSA-N 1 2 451.619 3.826 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c[nH+]1 ZINC001313677767 1070927010 /nfs/dbraw/zinc/92/70/10/1070927010.db2.gz XYAHDHHXWPWTFW-UHFFFAOYSA-N 1 2 478.645 3.646 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)c[nH+]1 ZINC001313679195 1070933689 /nfs/dbraw/zinc/93/36/89/1070933689.db2.gz LYRYNPUZSNYDER-UHFFFAOYSA-N 1 2 460.561 3.724 20 0 JHADLO CN(Cc1ccc(Br)o1)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001314725405 1070929985 /nfs/dbraw/zinc/92/99/85/1070929985.db2.gz MCOJEUPDUALESM-UHFFFAOYSA-N 1 2 466.424 3.723 20 0 JHADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cnc2c(Br)csc2c1 ZINC001309706147 1070933036 /nfs/dbraw/zinc/93/30/36/1070933036.db2.gz HAZQTGMVWFYLFO-AWEZNQCLSA-N 1 2 452.399 3.612 20 0 JHADLO O=S(=O)(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cnc2c(Br)csc2c1 ZINC001309706147 1070933048 /nfs/dbraw/zinc/93/30/48/1070933048.db2.gz HAZQTGMVWFYLFO-AWEZNQCLSA-N 1 2 452.399 3.612 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@H](C)C2)c[nH+]1 ZINC001313678946 1070933340 /nfs/dbraw/zinc/93/33/40/1070933340.db2.gz NICBQWAWTHKCDL-QZTJIDSGSA-N 1 2 499.710 3.889 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)c[nH+]1 ZINC001313679303 1070934840 /nfs/dbraw/zinc/93/48/40/1070934840.db2.gz QZZWKVDCHOGRIF-SFHVURJKSA-N 1 2 467.643 3.949 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC001313679503 1070935503 /nfs/dbraw/zinc/93/55/03/1070935503.db2.gz NAWXFACTCCJPNW-RTBURBONSA-N 1 2 452.578 3.911 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)c[nH+]1 ZINC001313679773 1070936266 /nfs/dbraw/zinc/93/62/66/1070936266.db2.gz TXQFOSXIIWNYCQ-ZJSXRUAMSA-N 1 2 497.688 3.578 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCOC(C)(C)[C@H]2C)c[nH+]1 ZINC001313680477 1070937538 /nfs/dbraw/zinc/93/75/38/1070937538.db2.gz SMUZZFIHSDDQKX-QGZVFWFLSA-N 1 2 469.659 3.927 20 0 JHADLO CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313683587 1070944860 /nfs/dbraw/zinc/94/48/60/1070944860.db2.gz GRRLPVKTMCLIMH-UHFFFAOYSA-N 1 2 471.403 3.834 20 0 JHADLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC001309761406 1070957433 /nfs/dbraw/zinc/95/74/33/1070957433.db2.gz BHTNICJQTPSVSU-UHFFFAOYSA-N 1 2 452.374 3.749 20 0 JHADLO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001309814910 1070979840 /nfs/dbraw/zinc/97/98/40/1070979840.db2.gz KQJLZTDWOYSURV-ADXZGYQBSA-N 1 2 453.605 3.514 20 0 JHADLO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001309814910 1070979849 /nfs/dbraw/zinc/97/98/49/1070979849.db2.gz KQJLZTDWOYSURV-ADXZGYQBSA-N 1 2 453.605 3.514 20 0 JHADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C[C@@H]1C(C)(C)C ZINC001309833185 1070989431 /nfs/dbraw/zinc/98/94/31/1070989431.db2.gz ONGDODTYOCSKQR-CQSZACIVSA-N 1 2 454.228 3.562 20 0 JHADLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C[C@@H]1C(C)(C)C ZINC001309833185 1070989432 /nfs/dbraw/zinc/98/94/32/1070989432.db2.gz ONGDODTYOCSKQR-CQSZACIVSA-N 1 2 454.228 3.562 20 0 JHADLO COc1ccc2c(c1)C=C(S(=O)(=O)N[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)CC2 ZINC001309849514 1070995110 /nfs/dbraw/zinc/99/51/10/1070995110.db2.gz MMUQRNINXOZJRK-FGZHOGPDSA-N 1 2 466.525 3.965 20 0 JHADLO COc1ccc2c(c1)C=C(S(=O)(=O)N[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)CC2 ZINC001309849514 1070995114 /nfs/dbraw/zinc/99/51/14/1070995114.db2.gz MMUQRNINXOZJRK-FGZHOGPDSA-N 1 2 466.525 3.965 20 0 JHADLO CCN(Cc1ccc(Cl)s1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001313733550 1071052137 /nfs/dbraw/zinc/05/21/37/1071052137.db2.gz PJIGPDOIGXKNKO-UHFFFAOYSA-N 1 2 467.083 3.772 20 0 JHADLO COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001310009486 1071055288 /nfs/dbraw/zinc/05/52/88/1071055288.db2.gz AROSQPYFSFVVTJ-OAQYLSRUSA-N 1 2 450.583 3.569 20 0 JHADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001310035338 1071074768 /nfs/dbraw/zinc/07/47/68/1071074768.db2.gz YCYMMSYRLHPHRL-NQIIRXRSSA-N 1 2 457.644 3.976 20 0 JHADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001310035338 1071074781 /nfs/dbraw/zinc/07/47/81/1071074781.db2.gz YCYMMSYRLHPHRL-NQIIRXRSSA-N 1 2 457.644 3.976 20 0 JHADLO CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c[nH+]ccc1OC ZINC001313748185 1071077989 /nfs/dbraw/zinc/07/79/89/1071077989.db2.gz ITLKTMFZFODDDB-QHCPKHFHSA-N 1 2 457.600 3.859 20 0 JHADLO CCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313763088 1071109823 /nfs/dbraw/zinc/10/98/23/1071109823.db2.gz HXRQLJHXEOAVDY-UHFFFAOYSA-N 1 2 461.054 3.773 20 0 JHADLO CCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313763088 1071109834 /nfs/dbraw/zinc/10/98/34/1071109834.db2.gz HXRQLJHXEOAVDY-UHFFFAOYSA-N 1 2 461.054 3.773 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccccc2)n1CC(=O)NC(C)C ZINC001313777740 1071136493 /nfs/dbraw/zinc/13/64/93/1071136493.db2.gz ADMHUEUEXNJOAJ-UHFFFAOYSA-N 1 2 461.614 3.608 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCSC1 ZINC001313778952 1071141034 /nfs/dbraw/zinc/14/10/34/1071141034.db2.gz LTMNQCKIXZDUGW-NRFANRHFSA-N 1 2 485.702 3.697 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1C[C@@H]1CCOC[C@@H]1OC ZINC001313779223 1071141855 /nfs/dbraw/zinc/14/18/55/1071141855.db2.gz MVKLKXLLJHTVPK-VXKWHMMOSA-N 1 2 456.635 3.591 20 0 JHADLO C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140802 1071149228 /nfs/dbraw/zinc/14/92/28/1071149228.db2.gz WLQAHNFIXQAKTE-GBESFXJTSA-N 1 2 459.612 3.625 20 0 JHADLO C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140802 1071149235 /nfs/dbraw/zinc/14/92/35/1071149235.db2.gz WLQAHNFIXQAKTE-GBESFXJTSA-N 1 2 459.612 3.625 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)C2)cc1 ZINC001310146638 1071155180 /nfs/dbraw/zinc/15/51/80/1071155180.db2.gz PEAJGODZMBUNGF-DEOSSOPVSA-N 1 2 450.583 3.690 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)C2)cc1 ZINC001310146638 1071155190 /nfs/dbraw/zinc/15/51/90/1071155190.db2.gz PEAJGODZMBUNGF-DEOSSOPVSA-N 1 2 450.583 3.690 20 0 JHADLO CN(CCc1ccc(Br)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314829054 1071157653 /nfs/dbraw/zinc/15/76/53/1071157653.db2.gz OMQQWBNDIDQKFX-HXUWFJFHSA-N 1 2 492.462 3.682 20 0 JHADLO CC1CCN(C(=O)c2ccc(NC(=O)NCc3cc[nH+]c(N4CCSCC4)c3)cc2)CC1 ZINC001310179848 1071184867 /nfs/dbraw/zinc/18/48/67/1071184867.db2.gz SUCMXOZDXAIUJO-UHFFFAOYSA-N 1 2 453.612 3.829 20 0 JHADLO CN(CCCCCO)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314846530 1071204258 /nfs/dbraw/zinc/20/42/58/1071204258.db2.gz ZOVPNZRIJIKUDD-UHFFFAOYSA-N 1 2 451.619 3.706 20 0 JHADLO CC(C)(C)c1cc(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)n(C(C)(C)C)n1 ZINC001310269552 1071253301 /nfs/dbraw/zinc/25/33/01/1071253301.db2.gz LFBJFAZWSCTPSF-UHFFFAOYSA-N 1 2 457.619 3.968 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 ZINC001314871105 1071283479 /nfs/dbraw/zinc/28/34/79/1071283479.db2.gz MBNZZLGQEZAIAQ-VXKWHMMOSA-N 1 2 488.677 3.517 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CCCC2)n1CCNc1ncc(Cl)cc1Cl ZINC001314872574 1071287117 /nfs/dbraw/zinc/28/71/17/1071287117.db2.gz YZPVEMBJIUAQHD-UHFFFAOYSA-N 1 2 468.433 3.518 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1cccc(C(C)(F)F)c1 ZINC001314874475 1071291490 /nfs/dbraw/zinc/29/14/90/1071291490.db2.gz VMXLGEAHSOENLM-UHFFFAOYSA-N 1 2 461.582 3.859 20 0 JHADLO CCn1cc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001313842192 1071327703 /nfs/dbraw/zinc/32/77/03/1071327703.db2.gz QGRTUPJMAARLBW-VQTJNVASSA-N 1 2 459.545 3.564 20 0 JHADLO Cn1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC001314906570 1071345158 /nfs/dbraw/zinc/34/51/58/1071345158.db2.gz NBWCTCASIFGTBP-UHFFFAOYSA-N 1 2 486.064 3.697 20 0 JHADLO COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)CC2)c1 ZINC001310417744 1071378316 /nfs/dbraw/zinc/37/83/16/1071378316.db2.gz FUJGRVQTAZBTIM-UHFFFAOYSA-N 1 2 458.534 3.737 20 0 JHADLO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001314988067 1071500955 /nfs/dbraw/zinc/50/09/55/1071500955.db2.gz FBVZVXUUEIXERG-NRFANRHFSA-N 1 2 467.662 3.509 20 0 JHADLO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001315000777 1071522805 /nfs/dbraw/zinc/52/28/05/1071522805.db2.gz JHCDGWJTWLOURT-UHFFFAOYSA-N 1 2 483.016 3.906 20 0 JHADLO CNC(=O)CC1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001315017749 1071538786 /nfs/dbraw/zinc/53/87/86/1071538786.db2.gz XKDAGYNNKUADBM-UHFFFAOYSA-N 1 2 453.635 3.578 20 0 JHADLO CNC(=O)CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001315036652 1071569543 /nfs/dbraw/zinc/56/95/43/1071569543.db2.gz MXWHMKRKBNLJLT-UHFFFAOYSA-N 1 2 468.005 3.604 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926522 1071576835 /nfs/dbraw/zinc/57/68/35/1071576835.db2.gz DGYASEVZZROVHD-ATIYNZHBSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313926985 1071578688 /nfs/dbraw/zinc/57/86/88/1071578688.db2.gz GTEVZOBKITXMSR-RJGXRXQPSA-N 1 2 454.663 3.592 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929336 1071586807 /nfs/dbraw/zinc/58/68/07/1071586807.db2.gz YZXTZTPODCCSEF-WOJBJXKFSA-N 1 2 491.080 3.540 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001314018478 1071765317 /nfs/dbraw/zinc/76/53/17/1071765317.db2.gz UUXBRNSDTZYLCX-LJQANCHMSA-N 1 2 455.607 3.504 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C1 ZINC001314037867 1071831901 /nfs/dbraw/zinc/83/19/01/1071831901.db2.gz OWSNROMKWBMLTF-QHCPKHFHSA-N 1 2 492.624 3.929 20 0 JHADLO CCOC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314056015 1071883476 /nfs/dbraw/zinc/88/34/76/1071883476.db2.gz LAUMZMKVEFOZFI-UHFFFAOYSA-N 1 2 464.614 3.956 20 0 JHADLO CCCCN1C(=O)CC[C@H](C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)[C@@H]1c1ccccc1OC ZINC001305932547 1068233435 /nfs/dbraw/zinc/23/34/35/1068233435.db2.gz DOQKBENYANKVAZ-DHLKQENFSA-N 1 2 452.599 3.979 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305990207 1068350004 /nfs/dbraw/zinc/35/00/04/1068350004.db2.gz XMTBTEHGXWSLNT-HXUWFJFHSA-N 1 2 464.614 3.934 20 0 JHADLO CCc1nc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001306032180 1068434496 /nfs/dbraw/zinc/43/44/96/1068434496.db2.gz DQFUEUJUUXYINJ-HXUWFJFHSA-N 1 2 484.670 3.850 20 0 JHADLO CCc1nc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001306032180 1068434502 /nfs/dbraw/zinc/43/45/02/1068434502.db2.gz DQFUEUJUUXYINJ-HXUWFJFHSA-N 1 2 484.670 3.850 20 0 JHADLO CCc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001306123479 1068531545 /nfs/dbraw/zinc/53/15/45/1068531545.db2.gz XQXMAKXMLHWICX-DENIHFKCSA-N 1 2 479.629 3.873 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306168541 1068564348 /nfs/dbraw/zinc/56/43/48/1068564348.db2.gz XFFMVDPLEBCOHH-NRFANRHFSA-N 1 2 475.641 3.776 20 0 JHADLO CCc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306180979 1068572532 /nfs/dbraw/zinc/57/25/32/1068572532.db2.gz TWGYKVMFMXMYIR-DEOSSOPVSA-N 1 2 498.672 3.527 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001306197572 1068589791 /nfs/dbraw/zinc/58/97/91/1068589791.db2.gz NWDJEBOUTCUXAN-UHFFFAOYSA-N 1 2 494.610 3.663 20 0 JHADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001306256988 1068663961 /nfs/dbraw/zinc/66/39/61/1068663961.db2.gz KCLMINWDBLKUAJ-QHCPKHFHSA-N 1 2 462.598 3.525 20 0 JHADLO CC[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001306339730 1068776350 /nfs/dbraw/zinc/77/63/50/1068776350.db2.gz ISFYALXWAZHGOE-RRPUWOKSSA-N 1 2 456.635 3.918 20 0 JHADLO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001306359065 1068794601 /nfs/dbraw/zinc/79/46/01/1068794601.db2.gz PXEXCOJLVBDVRP-DEOSSOPVSA-N 1 2 482.673 3.724 20 0 JHADLO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001306359065 1068794610 /nfs/dbraw/zinc/79/46/10/1068794610.db2.gz PXEXCOJLVBDVRP-DEOSSOPVSA-N 1 2 482.673 3.724 20 0 JHADLO CCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001306364632 1068800608 /nfs/dbraw/zinc/80/06/08/1068800608.db2.gz OOUNGRZEDACGAL-LJQANCHMSA-N 1 2 489.064 3.862 20 0 JHADLO C[C@H](NC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[C@H](C)[NH+]1CCOCC1 ZINC001310497696 1068982023 /nfs/dbraw/zinc/98/20/23/1068982023.db2.gz KUPPVNYZUQYYOH-STQMWFEESA-N 1 2 459.900 3.990 20 0 JHADLO CC(=O)OCCc1cccc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001310530484 1069002655 /nfs/dbraw/zinc/00/26/55/1069002655.db2.gz WNBKZALDPWSHDP-UHFFFAOYSA-N 1 2 459.344 3.875 20 0 JHADLO CCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)[C@@H](C)C[NH+]3CCOCC3)ccc21 ZINC001310546458 1069009117 /nfs/dbraw/zinc/00/91/17/1069009117.db2.gz BULWNXUAUIRTHT-FQEVSTJZSA-N 1 2 450.583 3.741 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306497355 1069046158 /nfs/dbraw/zinc/04/61/58/1069046158.db2.gz UZLNXNBSNOFTKF-GMKZXUHWSA-N 1 2 482.673 3.750 20 0 JHADLO O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001310617352 1069061381 /nfs/dbraw/zinc/06/13/81/1069061381.db2.gz CNYVSNATAQETMI-UHFFFAOYSA-N 1 2 450.461 3.731 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001306511285 1069105012 /nfs/dbraw/zinc/10/50/12/1069105012.db2.gz YAIVINPODKTFQY-JOCHJYFZSA-N 1 2 499.610 3.750 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306527086 1069157151 /nfs/dbraw/zinc/15/71/51/1069157151.db2.gz CZVLEUWTWCXGGW-WIOPSUGQSA-N 1 2 475.081 3.754 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306527622 1069159636 /nfs/dbraw/zinc/15/96/36/1069159636.db2.gz GJBITKFNRPKCBA-QHCPKHFHSA-N 1 2 458.994 3.768 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306528199 1069161397 /nfs/dbraw/zinc/16/13/97/1069161397.db2.gz NGDWIUVXGQNBAT-DEOSSOPVSA-N 1 2 490.555 3.716 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1F ZINC001310833276 1069184471 /nfs/dbraw/zinc/18/44/71/1069184471.db2.gz PRGQJHLZQKXTRT-LPHOPBHVSA-N 1 2 453.873 3.598 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1F ZINC001310833276 1069184476 /nfs/dbraw/zinc/18/44/76/1069184476.db2.gz PRGQJHLZQKXTRT-LPHOPBHVSA-N 1 2 453.873 3.598 20 0 JHADLO CCC[C@@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306545383 1069199826 /nfs/dbraw/zinc/19/98/26/1069199826.db2.gz RQISMGIQBCEOEJ-AREMUKBSSA-N 1 2 464.614 3.692 20 0 JHADLO CCC[C@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306545385 1069199859 /nfs/dbraw/zinc/19/98/59/1069199859.db2.gz RQISMGIQBCEOEJ-SANMLTNESA-N 1 2 464.614 3.692 20 0 JHADLO O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001310875914 1069203147 /nfs/dbraw/zinc/20/31/47/1069203147.db2.gz SHAYWROCWCQYSM-UHFFFAOYSA-N 1 2 452.328 3.559 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306564322 1069232568 /nfs/dbraw/zinc/23/25/68/1069232568.db2.gz BODNEVLJZSMURO-GOSISDBHSA-N 1 2 474.613 3.574 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001306569557 1069237136 /nfs/dbraw/zinc/23/71/36/1069237136.db2.gz UIDNATNKFPIHCT-MRXNPFEDSA-N 1 2 471.631 3.623 20 0 JHADLO CCCC1(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)CCC1 ZINC001306604133 1069279259 /nfs/dbraw/zinc/27/92/59/1069279259.db2.gz UFIHZOJIABQAPZ-UHFFFAOYSA-N 1 2 467.662 3.609 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001311216347 1069299593 /nfs/dbraw/zinc/29/95/93/1069299593.db2.gz HYMYBIDIEOUPNX-FCHUYYIVSA-N 1 2 456.974 3.906 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001311216347 1069299597 /nfs/dbraw/zinc/29/95/97/1069299597.db2.gz HYMYBIDIEOUPNX-FCHUYYIVSA-N 1 2 456.974 3.906 20 0 JHADLO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@@H+]4CCCN(S(C)(=O)=O)CC4)cc3)sc2c1 ZINC000012747551 195103405 /nfs/dbraw/zinc/10/34/05/195103405.db2.gz VHUMAQSYNCPGFT-KRWDZBQOSA-N 1 2 472.636 3.566 20 0 JHADLO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@H+]4CCCN(S(C)(=O)=O)CC4)cc3)sc2c1 ZINC000012747551 195103406 /nfs/dbraw/zinc/10/34/06/195103406.db2.gz VHUMAQSYNCPGFT-KRWDZBQOSA-N 1 2 472.636 3.566 20 0 JHADLO NC(=S)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c2sccc21 ZINC001164679252 719532575 /nfs/dbraw/zinc/53/25/75/719532575.db2.gz WJEPNUURENQWEW-UHFFFAOYSA-N 1 2 456.612 3.941 20 0 JHADLO NC(=S)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c2sccc21 ZINC001164679252 719532590 /nfs/dbraw/zinc/53/25/90/719532590.db2.gz WJEPNUURENQWEW-UHFFFAOYSA-N 1 2 456.612 3.941 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164706084 719847536 /nfs/dbraw/zinc/84/75/36/719847536.db2.gz WEMFKPFTVOIMHL-YUNKPMOVSA-N 1 2 473.788 3.823 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC001164698053 719847656 /nfs/dbraw/zinc/84/76/56/719847656.db2.gz DQXDXSRLLXGSEB-BTDLBPIBSA-N 1 2 457.185 3.928 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164707597 719869900 /nfs/dbraw/zinc/86/99/00/719869900.db2.gz UCRUYFNNAYKGFY-PGRDOPGGSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164707830 719874153 /nfs/dbraw/zinc/87/41/53/719874153.db2.gz VTAGKDHIRBAPJY-RXFWQSSRSA-N 1 2 485.028 3.909 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164700326 719880496 /nfs/dbraw/zinc/88/04/96/719880496.db2.gz JWMFRMNTCIWGPB-AOMKIAJQSA-N 1 2 471.976 3.782 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C2)C1 ZINC001164723302 720282261 /nfs/dbraw/zinc/28/22/61/720282261.db2.gz WLFBLHVRHNRJHG-SANMLTNESA-N 1 2 480.012 3.615 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C2)C1 ZINC001164723302 720282268 /nfs/dbraw/zinc/28/22/68/720282268.db2.gz WLFBLHVRHNRJHG-SANMLTNESA-N 1 2 480.012 3.615 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164724996 720312553 /nfs/dbraw/zinc/31/25/53/720312553.db2.gz UQYWTUKFMKXHET-JOCHJYFZSA-N 1 2 480.016 3.663 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164723843 720313735 /nfs/dbraw/zinc/31/37/35/720313735.db2.gz PKJFFIYBOXNYEV-QGZVFWFLSA-N 1 2 466.895 3.985 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(NC(=O)OC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164819250 720377249 /nfs/dbraw/zinc/37/72/49/720377249.db2.gz ATKSCWIBLDBSOG-UHFFFAOYSA-N 1 2 486.642 3.507 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(NC(=O)OC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164819250 720377253 /nfs/dbraw/zinc/37/72/53/720377253.db2.gz ATKSCWIBLDBSOG-UHFFFAOYSA-N 1 2 486.642 3.507 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC3)C2=O)cs1 ZINC001164819327 720380775 /nfs/dbraw/zinc/38/07/75/720380775.db2.gz CRVKXCPLFUIYJF-UHFFFAOYSA-N 1 2 476.650 3.839 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC3)C2=O)cs1 ZINC001164819327 720380782 /nfs/dbraw/zinc/38/07/82/720380782.db2.gz CRVKXCPLFUIYJF-UHFFFAOYSA-N 1 2 476.650 3.839 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(C)(C)C)nc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164820377 720381556 /nfs/dbraw/zinc/38/15/56/720381556.db2.gz ACBNFKCVHGAFIX-UHFFFAOYSA-N 1 2 470.687 3.976 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(C)(C)C)nc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164820377 720381558 /nfs/dbraw/zinc/38/15/58/720381558.db2.gz ACBNFKCVHGAFIX-UHFFFAOYSA-N 1 2 470.687 3.976 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729330 720418914 /nfs/dbraw/zinc/41/89/14/720418914.db2.gz HADTZOUEACODBZ-GOTSBHOMSA-N 1 2 479.606 3.529 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729330 720418915 /nfs/dbraw/zinc/41/89/15/720418915.db2.gz HADTZOUEACODBZ-GOTSBHOMSA-N 1 2 479.606 3.529 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164860164 720895829 /nfs/dbraw/zinc/89/58/29/720895829.db2.gz TUBKOIUQUUJCET-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770040 721278413 /nfs/dbraw/zinc/27/84/13/721278413.db2.gz SVRLYNZFOMCCDU-ZDUSSCGKSA-N 1 2 477.928 3.678 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164904055 721570933 /nfs/dbraw/zinc/57/09/33/721570933.db2.gz UJEZCUVNNJTWOR-GOSISDBHSA-N 1 2 499.681 3.857 20 0 JHADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916292 721790034 /nfs/dbraw/zinc/79/00/34/721790034.db2.gz PKIFBRAZDALHFX-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916292 721790035 /nfs/dbraw/zinc/79/00/35/721790035.db2.gz PKIFBRAZDALHFX-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306623670 1069315666 /nfs/dbraw/zinc/31/56/66/1069315666.db2.gz UKQBVZAJGJCQNW-NRFANRHFSA-N 1 2 480.613 3.867 20 0 JHADLO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001311327977 1069325471 /nfs/dbraw/zinc/32/54/71/1069325471.db2.gz OIPNRLRNYICOIX-UHFFFAOYSA-N 1 2 451.618 3.674 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306632082 1069333180 /nfs/dbraw/zinc/33/31/80/1069333180.db2.gz JMEMUWYIICCSGD-UKILVPOCSA-N 1 2 484.689 3.505 20 0 JHADLO CCC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633267 1069335549 /nfs/dbraw/zinc/33/55/49/1069335549.db2.gz RUJUREKRLCYZSB-SFTDATJTSA-N 1 2 459.660 3.605 20 0 JHADLO CSC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001311377732 1069351132 /nfs/dbraw/zinc/35/11/32/1069351132.db2.gz DGSHIZMXPPENMD-HXUWFJFHSA-N 1 2 457.619 3.832 20 0 JHADLO CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306641770 1069352878 /nfs/dbraw/zinc/35/28/78/1069352878.db2.gz PFPVANMHCPVLSH-LJQANCHMSA-N 1 2 459.038 3.922 20 0 JHADLO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001306661129 1069381389 /nfs/dbraw/zinc/38/13/89/1069381389.db2.gz JCWRCQJAARCDLK-IBGZPJMESA-N 1 2 451.036 3.686 20 0 JHADLO CCCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306676736 1069400854 /nfs/dbraw/zinc/40/08/54/1069400854.db2.gz LXPOLZCCIKBCOW-JOCHJYFZSA-N 1 2 454.644 3.944 20 0 JHADLO Cc1ccc(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(OCC2CC2)c1 ZINC001311517982 1069419349 /nfs/dbraw/zinc/41/93/49/1069419349.db2.gz PSPQGUNJCWMWIF-UHFFFAOYSA-N 1 2 450.583 3.686 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306693728 1069430857 /nfs/dbraw/zinc/43/08/57/1069430857.db2.gz BURLJFVBCQRBFF-FQEVSTJZSA-N 1 2 478.682 3.740 20 0 JHADLO CCCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306693632 1069430886 /nfs/dbraw/zinc/43/08/86/1069430886.db2.gz AABKNOKIMISQJC-LJQANCHMSA-N 1 2 474.606 3.665 20 0 JHADLO COc1cc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1OCc1ccccc1 ZINC001311621293 1069472283 /nfs/dbraw/zinc/47/22/83/1069472283.db2.gz ACYSCRVNAAAYCP-ZRCGQRJVSA-N 1 2 453.583 3.840 20 0 JHADLO O=C(Nc1cccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1)c1ccccn1 ZINC001311637511 1069483456 /nfs/dbraw/zinc/48/34/56/1069483456.db2.gz OKXSEFOYSLWSTA-YRNVUSSQSA-N 1 2 455.562 3.875 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC001311682029 1069501846 /nfs/dbraw/zinc/50/18/46/1069501846.db2.gz GLNDDJVRFPKAME-KKSFZXQISA-N 1 2 453.493 3.702 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759843 1069535357 /nfs/dbraw/zinc/53/53/57/1069535357.db2.gz LDAXAVCPKLEHPM-WIOPSUGQSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759843 1069535360 /nfs/dbraw/zinc/53/53/60/1069535360.db2.gz LDAXAVCPKLEHPM-WIOPSUGQSA-N 1 2 458.002 3.539 20 0 JHADLO C[C@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306754338 1069550217 /nfs/dbraw/zinc/55/02/17/1069550217.db2.gz MGRNCOPPSORQJQ-HNNXBMFYSA-N 1 2 451.577 3.991 20 0 JHADLO CCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001306766591 1069568141 /nfs/dbraw/zinc/56/81/41/1069568141.db2.gz JMYHTLUOTCMWEI-IBGZPJMESA-N 1 2 486.505 3.823 20 0 JHADLO CC(C)Cc1ncnc(N2CC[NH+](CCc3ccccc3)CC2)c1I ZINC001306922820 1069683979 /nfs/dbraw/zinc/68/39/79/1069683979.db2.gz ZUJQEVKUYWRRSS-UHFFFAOYSA-N 1 2 450.368 3.644 20 0 JHADLO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)C2)cc1 ZINC001312045748 1069691061 /nfs/dbraw/zinc/69/10/61/1069691061.db2.gz JLFQCLBQXIEAJP-AOYPEHQESA-N 1 2 450.627 3.549 20 0 JHADLO O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312049782 1069693233 /nfs/dbraw/zinc/69/32/33/1069693233.db2.gz UPQMVMBYCNAOGV-RRPNLBNLSA-N 1 2 459.590 3.630 20 0 JHADLO CCCN(CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001307007950 1069702726 /nfs/dbraw/zinc/70/27/26/1069702726.db2.gz ALDMLEKNQOOAND-NRFANRHFSA-N 1 2 499.660 3.541 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC(F)(F)F)cc1OC ZINC001314175437 1069702083 /nfs/dbraw/zinc/70/20/83/1069702083.db2.gz GQTFFJKRKQCJRC-UHFFFAOYSA-N 1 2 462.476 3.636 20 0 JHADLO CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001307017669 1069726397 /nfs/dbraw/zinc/72/63/97/1069726397.db2.gz BJBYXOFYFISNTG-DEOSSOPVSA-N 1 2 468.690 3.884 20 0 JHADLO CCCn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001307024540 1069732470 /nfs/dbraw/zinc/73/24/70/1069732470.db2.gz PVRODALOUGLJIB-FQEVSTJZSA-N 1 2 455.628 3.859 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314191917 1069754586 /nfs/dbraw/zinc/75/45/86/1069754586.db2.gz QRVSDFHRSYKMSM-HKBOAZHASA-N 1 2 487.645 3.541 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314191917 1069754601 /nfs/dbraw/zinc/75/46/01/1069754601.db2.gz QRVSDFHRSYKMSM-HKBOAZHASA-N 1 2 487.645 3.541 20 0 JHADLO CCCN1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1=O ZINC001307062181 1069857819 /nfs/dbraw/zinc/85/78/19/1069857819.db2.gz PIIIKVJBRGMIQN-UHFFFAOYSA-N 1 2 453.635 3.530 20 0 JHADLO O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001312319304 1069860571 /nfs/dbraw/zinc/86/05/71/1069860571.db2.gz XSBVJRLZCZVEQV-OCTSTCLRSA-N 1 2 456.949 3.625 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314223667 1069881861 /nfs/dbraw/zinc/88/18/61/1069881861.db2.gz CTFXKYRYWXWZJZ-SFTDATJTSA-N 1 2 489.686 3.698 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314223667 1069881881 /nfs/dbraw/zinc/88/18/81/1069881881.db2.gz CTFXKYRYWXWZJZ-SFTDATJTSA-N 1 2 489.686 3.698 20 0 JHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(C)c1 ZINC001312352948 1069881816 /nfs/dbraw/zinc/88/18/16/1069881816.db2.gz YHOZHMMFGUGNPB-RTWAWAEBSA-N 1 2 453.587 3.940 20 0 JHADLO COC(=O)c1cccc(OCCSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC001307246546 1069914013 /nfs/dbraw/zinc/91/40/13/1069914013.db2.gz XFFWSGLXFCNYRI-UHFFFAOYSA-N 1 2 452.580 3.880 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427090 1069930108 /nfs/dbraw/zinc/93/01/08/1069930108.db2.gz UIDFFMDKVDITCL-FYYLOGMGSA-N 1 2 453.974 3.671 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427090 1069930119 /nfs/dbraw/zinc/93/01/19/1069930119.db2.gz UIDFFMDKVDITCL-FYYLOGMGSA-N 1 2 453.974 3.671 20 0 JHADLO CCOC1CC(CCn2c(-c3cccc(Br)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001314234862 1069929053 /nfs/dbraw/zinc/92/90/53/1069929053.db2.gz SIDATKWRBQITNH-UHFFFAOYSA-N 1 2 492.462 3.681 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCS[C@@H](C(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314239062 1069938710 /nfs/dbraw/zinc/93/87/10/1069938710.db2.gz CQYJHZGEZMYZII-LXEVQABCSA-N 1 2 465.708 3.639 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCS[C@H](C(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314239063 1069938863 /nfs/dbraw/zinc/93/88/63/1069938863.db2.gz CQYJHZGEZMYZII-XZQQRHJCSA-N 1 2 465.708 3.639 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]3[C@@H](O)c3ccccc3)[nH+]c12 ZINC001312474213 1069958699 /nfs/dbraw/zinc/95/86/99/1069958699.db2.gz ARWPSVBZUKDBBB-UXHICEINSA-N 1 2 457.372 3.855 20 0 JHADLO CCO[C@@H]1C[C@H](N(C)c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC001314245724 1069960150 /nfs/dbraw/zinc/96/01/50/1069960150.db2.gz GVHWAAXMILGSKW-HLAWJBBLSA-N 1 2 456.635 3.711 20 0 JHADLO CCO[C@H]1C[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)C1(C)C ZINC001314248311 1069969869 /nfs/dbraw/zinc/96/98/69/1069969869.db2.gz XIPVUTVZANFURT-RTWAWAEBSA-N 1 2 477.613 3.901 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425488 1069978607 /nfs/dbraw/zinc/97/86/07/1069978607.db2.gz HCPCHZYSLFBHBY-IRLDBZIGSA-N 1 2 455.357 3.950 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425488 1069978616 /nfs/dbraw/zinc/97/86/16/1069978616.db2.gz HCPCHZYSLFBHBY-IRLDBZIGSA-N 1 2 455.357 3.950 20 0 JHADLO COc1cc(C[N@H+](C)[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1 ZINC001307428120 1069979897 /nfs/dbraw/zinc/97/98/97/1069979897.db2.gz DBDCKEABYPBGMK-CYBMUJFWSA-N 1 2 451.445 3.528 20 0 JHADLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1 ZINC001307428120 1069979905 /nfs/dbraw/zinc/97/99/05/1069979905.db2.gz DBDCKEABYPBGMK-CYBMUJFWSA-N 1 2 451.445 3.528 20 0 JHADLO FC(F)(F)Cn1nnc(CN2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC001307448373 1069989487 /nfs/dbraw/zinc/98/94/87/1069989487.db2.gz VFIRXBJVKJIMQV-HXUWFJFHSA-N 1 2 450.896 3.796 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)c1 ZINC001312538593 1070000504 /nfs/dbraw/zinc/00/05/04/1070000504.db2.gz XZFOFRYJTPQIGT-MHECFPHRSA-N 1 2 451.546 3.746 20 0 JHADLO CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)n2)cc1 ZINC001307467176 1070002173 /nfs/dbraw/zinc/00/21/73/1070002173.db2.gz YNDMTMVKMCIVNV-UHFFFAOYSA-N 1 2 459.534 3.919 20 0 JHADLO CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)n2)cc1 ZINC001307467176 1070002183 /nfs/dbraw/zinc/00/21/83/1070002183.db2.gz YNDMTMVKMCIVNV-UHFFFAOYSA-N 1 2 459.534 3.919 20 0 JHADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2ncsc2c1 ZINC001312543571 1070003592 /nfs/dbraw/zinc/00/35/92/1070003592.db2.gz NTEMVAQSKDMBQO-SJLPKXTDSA-N 1 2 459.616 3.694 20 0 JHADLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001307470799 1070003908 /nfs/dbraw/zinc/00/39/08/1070003908.db2.gz LYQMAGVVSBUQOM-JTSKRJEESA-N 1 2 450.501 3.913 20 0 JHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC001307495671 1070017127 /nfs/dbraw/zinc/01/71/27/1070017127.db2.gz PPAQNBXZDPSSCY-OAQYLSRUSA-N 1 2 456.030 3.883 20 0 JHADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001307501906 1070019964 /nfs/dbraw/zinc/01/99/64/1070019964.db2.gz UMUOXMQDNGBHBC-LJQANCHMSA-N 1 2 456.612 3.949 20 0 JHADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001307501906 1070019979 /nfs/dbraw/zinc/01/99/79/1070019979.db2.gz UMUOXMQDNGBHBC-LJQANCHMSA-N 1 2 456.612 3.949 20 0 JHADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC001307495589 1070017489 /nfs/dbraw/zinc/01/74/89/1070017489.db2.gz OXLJLHDTFPDYIY-HXUWFJFHSA-N 1 2 452.002 3.563 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001307568803 1070055927 /nfs/dbraw/zinc/05/59/27/1070055927.db2.gz NYKWMTIXPPPRMS-KRWDZBQOSA-N 1 2 458.584 3.654 20 0 JHADLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC2)c(C)s1 ZINC001307573007 1070060088 /nfs/dbraw/zinc/06/00/88/1070060088.db2.gz CLQJLOSATQXIQF-UHFFFAOYSA-N 1 2 459.678 3.756 20 0 JHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC([C@H](O)c4nccn4C)CC3)cs2)c1 ZINC001307594796 1070071751 /nfs/dbraw/zinc/07/17/51/1070071751.db2.gz ABAQTVZOTYYWPP-QHCPKHFHSA-N 1 2 453.612 3.620 20 0 JHADLO CO[C@H]([C@@H](C)NC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC001312701795 1070086659 /nfs/dbraw/zinc/08/66/59/1070086659.db2.gz PWKQOXRRPZOBRG-PXDATVDWSA-N 1 2 451.611 3.933 20 0 JHADLO COCCOc1cccc(CNC(=O)C[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)c1 ZINC001307629190 1070088576 /nfs/dbraw/zinc/08/85/76/1070088576.db2.gz OAJNQTYYIHNCTK-UHFFFAOYSA-N 1 2 457.621 3.880 20 0 JHADLO COCCOc1cccc(CNC(=O)C[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)c1 ZINC001307629190 1070088588 /nfs/dbraw/zinc/08/85/88/1070088588.db2.gz OAJNQTYYIHNCTK-UHFFFAOYSA-N 1 2 457.621 3.880 20 0 JHADLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(I)cc2)cc1 ZINC001307641964 1070097069 /nfs/dbraw/zinc/09/70/69/1070097069.db2.gz CLQHGCAVVXMFQL-SFHVURJKSA-N 1 2 456.349 3.536 20 0 JHADLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(I)cc2)cc1 ZINC001307641964 1070097079 /nfs/dbraw/zinc/09/70/79/1070097079.db2.gz CLQHGCAVVXMFQL-SFHVURJKSA-N 1 2 456.349 3.536 20 0 JHADLO CSCC[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1nnc2ccccn21 ZINC001307660818 1070108209 /nfs/dbraw/zinc/10/82/09/1070108209.db2.gz IYTWDOQGLHQCOQ-MRXNPFEDSA-N 1 2 455.481 3.587 20 0 JHADLO CCOC(=O)CC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)Cc1cccnc1 ZINC001307671920 1070115335 /nfs/dbraw/zinc/11/53/35/1070115335.db2.gz BDSDGFGJWISDAM-XMMPIXPASA-N 1 2 453.583 3.989 20 0 JHADLO CCOC(=O)CC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)Cc1cccnc1 ZINC001307671920 1070115342 /nfs/dbraw/zinc/11/53/42/1070115342.db2.gz BDSDGFGJWISDAM-XMMPIXPASA-N 1 2 453.583 3.989 20 0 JHADLO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cc(Br)ccc1Cl ZINC001307679854 1070121213 /nfs/dbraw/zinc/12/12/13/1070121213.db2.gz NFZJOQUCPDMLEC-UHFFFAOYSA-N 1 2 456.837 3.940 20 0 JHADLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307761826 1070172891 /nfs/dbraw/zinc/17/28/91/1070172891.db2.gz CRTMHHCQKRTBLA-FQEVSTJZSA-N 1 2 458.603 3.678 20 0 JHADLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307761826 1070172896 /nfs/dbraw/zinc/17/28/96/1070172896.db2.gz CRTMHHCQKRTBLA-FQEVSTJZSA-N 1 2 458.603 3.678 20 0 JHADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H](COC)c3cccc(Cl)c3)nc2c1 ZINC001307822011 1070200538 /nfs/dbraw/zinc/20/05/38/1070200538.db2.gz RKETXUOFXHHJFL-FQEVSTJZSA-N 1 2 450.992 3.724 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314367795 1070202075 /nfs/dbraw/zinc/20/20/75/1070202075.db2.gz YBWSCOKOOOBPRY-PKTZIBPZSA-N 1 2 471.646 3.672 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849243 1070210642 /nfs/dbraw/zinc/21/06/42/1070210642.db2.gz BASTTWZLKCPHJM-CABCVRRESA-N 1 2 450.601 3.652 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849243 1070210653 /nfs/dbraw/zinc/21/06/53/1070210653.db2.gz BASTTWZLKCPHJM-CABCVRRESA-N 1 2 450.601 3.652 20 0 JHADLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@H]1c1ccc(O)cc1 ZINC001307884332 1070224270 /nfs/dbraw/zinc/22/42/70/1070224270.db2.gz NRCREQRXTDYDKL-VQTJNVASSA-N 1 2 451.548 3.651 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@H]1c1ccc(O)cc1 ZINC001307884332 1070224279 /nfs/dbraw/zinc/22/42/79/1070224279.db2.gz NRCREQRXTDYDKL-VQTJNVASSA-N 1 2 451.548 3.651 20 0 JHADLO COc1ccc([C@@H]2CCN(Cc3[nH+]cc(C)c(OC)c3C)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307909148 1070235224 /nfs/dbraw/zinc/23/52/24/1070235224.db2.gz SHUWCFKNSZHPEM-LPHOPBHVSA-N 1 2 469.479 3.891 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001307927928 1070246435 /nfs/dbraw/zinc/24/64/35/1070246435.db2.gz VVBWBRWFNGGUHN-PGRDOPGGSA-N 1 2 453.539 3.520 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001307927928 1070246453 /nfs/dbraw/zinc/24/64/53/1070246453.db2.gz VVBWBRWFNGGUHN-PGRDOPGGSA-N 1 2 453.539 3.520 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1c(F)cccc1SC ZINC001314397921 1070258184 /nfs/dbraw/zinc/25/81/84/1070258184.db2.gz XNFHSKHYVPKJOU-UHFFFAOYSA-N 1 2 476.647 3.811 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCc1ccc(C)cc1C ZINC001314397875 1070258205 /nfs/dbraw/zinc/25/82/05/1070258205.db2.gz WEGORHQLCQKZBH-UHFFFAOYSA-N 1 2 454.644 3.761 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001314400157 1070261475 /nfs/dbraw/zinc/26/14/75/1070261475.db2.gz QUDXOAANBGWISJ-NFBKMPQASA-N 1 2 462.038 3.851 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001307969270 1070263291 /nfs/dbraw/zinc/26/32/91/1070263291.db2.gz LNOAJISVQPINEH-INIZCTEOSA-N 1 2 456.930 3.606 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001307969270 1070263308 /nfs/dbraw/zinc/26/33/08/1070263308.db2.gz LNOAJISVQPINEH-INIZCTEOSA-N 1 2 456.930 3.606 20 0 JHADLO COc1cccc([C@H](O)C2CC[NH+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001307978012 1070266166 /nfs/dbraw/zinc/26/61/66/1070266166.db2.gz LGSDYHDMXYHZGX-BJKOFHAPSA-N 1 2 451.592 3.803 20 0 JHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313174123 1070281262 /nfs/dbraw/zinc/28/12/62/1070281262.db2.gz FOBAZCHGVKSRBI-BZSNNMDCSA-N 1 2 456.509 3.660 20 0 JHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313174123 1070281270 /nfs/dbraw/zinc/28/12/70/1070281270.db2.gz FOBAZCHGVKSRBI-BZSNNMDCSA-N 1 2 456.509 3.660 20 0 JHADLO Cn1c[nH+]cc1CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001313182591 1070284864 /nfs/dbraw/zinc/28/48/64/1070284864.db2.gz MOCPUUAFMUOEAH-GOSISDBHSA-N 1 2 453.406 3.669 20 0 JHADLO COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001313207022 1070293127 /nfs/dbraw/zinc/29/31/27/1070293127.db2.gz MWKDAUWXBIEUHF-QFIPXVFZSA-N 1 2 453.974 3.814 20 0 JHADLO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308064145 1070299153 /nfs/dbraw/zinc/29/91/53/1070299153.db2.gz DKFNNSFMCWSYQF-GOSISDBHSA-N 1 2 456.587 3.616 20 0 JHADLO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308064145 1070299166 /nfs/dbraw/zinc/29/91/66/1070299166.db2.gz DKFNNSFMCWSYQF-GOSISDBHSA-N 1 2 456.587 3.616 20 0 JHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001313254515 1070307128 /nfs/dbraw/zinc/30/71/28/1070307128.db2.gz VGFKFHODRNQBDY-DZRGJMJISA-N 1 2 457.619 3.650 20 0 JHADLO Cc1cc(Br)cn2c(CNc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)c[nH+]c12 ZINC001308317601 1070355736 /nfs/dbraw/zinc/35/57/36/1070355736.db2.gz ZJMJPRIQGMUQPZ-MRXNPFEDSA-N 1 2 457.372 3.862 20 0 JHADLO Cn1ncc(I)c1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC001308507599 1070383099 /nfs/dbraw/zinc/38/30/99/1070383099.db2.gz RSBKRJRTFZASMZ-UHFFFAOYSA-N 1 2 458.307 3.624 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566505 1070390932 /nfs/dbraw/zinc/39/09/32/1070390932.db2.gz CVESGVXLMIBILI-ROUUACIJSA-N 1 2 453.530 3.963 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566505 1070390947 /nfs/dbraw/zinc/39/09/47/1070390947.db2.gz CVESGVXLMIBILI-ROUUACIJSA-N 1 2 453.530 3.963 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC001308576992 1070393588 /nfs/dbraw/zinc/39/35/88/1070393588.db2.gz MHRZPKAFLNOGKX-NRFANRHFSA-N 1 2 453.587 3.945 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593261 1070397291 /nfs/dbraw/zinc/39/72/91/1070397291.db2.gz ZUQJBIZUNVCPRT-ZWKOTPCHSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593261 1070397308 /nfs/dbraw/zinc/39/73/08/1070397308.db2.gz ZUQJBIZUNVCPRT-ZWKOTPCHSA-N 1 2 458.024 3.741 20 0 JHADLO Cc1ccc(C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]2CCCO2)c(Br)c1 ZINC001308724553 1070426015 /nfs/dbraw/zinc/42/60/15/1070426015.db2.gz VFGNHHWHWSTPDL-GOSISDBHSA-N 1 2 453.402 3.586 20 0 JHADLO Cc1ccc(C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]2CCCO2)c(Br)c1 ZINC001308724553 1070426018 /nfs/dbraw/zinc/42/60/18/1070426018.db2.gz VFGNHHWHWSTPDL-GOSISDBHSA-N 1 2 453.402 3.586 20 0 JHADLO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cn(-c4ccccc4Br)nn3)C2)cc1C ZINC001308924087 1070459810 /nfs/dbraw/zinc/45/98/10/1070459810.db2.gz RNCRPUGFXKFVJP-QGZVFWFLSA-N 1 2 456.344 3.630 20 0 JHADLO Fc1cccc(C[N@@H+]2CCn3ncc(I)c3C2)c1OCC(F)(F)F ZINC001308953911 1070465267 /nfs/dbraw/zinc/46/52/67/1070465267.db2.gz ZCKHZOASEJQWMY-UHFFFAOYSA-N 1 2 455.193 3.584 20 0 JHADLO Fc1cccc(C[N@H+]2CCn3ncc(I)c3C2)c1OCC(F)(F)F ZINC001308953911 1070465277 /nfs/dbraw/zinc/46/52/77/1070465277.db2.gz ZCKHZOASEJQWMY-UHFFFAOYSA-N 1 2 455.193 3.584 20 0 JHADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942673 1070463663 /nfs/dbraw/zinc/46/36/63/1070463663.db2.gz IYSUZKAGEJCYAF-DLBZAZTESA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942673 1070463673 /nfs/dbraw/zinc/46/36/73/1070463673.db2.gz IYSUZKAGEJCYAF-DLBZAZTESA-N 1 2 459.509 3.889 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314513803 1070480750 /nfs/dbraw/zinc/48/07/50/1070480750.db2.gz FLBHIJMFXXMWLC-FUHWJXTLSA-N 1 2 453.678 3.560 20 0 JHADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C[C@@H](C)O1 ZINC001309102864 1070541946 /nfs/dbraw/zinc/54/19/46/1070541946.db2.gz KRDGWHLUXCYNLZ-KCZVDYSFSA-N 1 2 450.645 3.908 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc2c[nH]nc2cc1C ZINC001309152176 1070571067 /nfs/dbraw/zinc/57/10/67/1070571067.db2.gz BNKCFPOCXFKZQF-UHFFFAOYSA-N 1 2 453.568 3.748 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC001309152176 1070571082 /nfs/dbraw/zinc/57/10/82/1070571082.db2.gz BNKCFPOCXFKZQF-UHFFFAOYSA-N 1 2 453.568 3.748 20 0 JHADLO CCCOc1cccc(CCn2c(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313514876 1070572676 /nfs/dbraw/zinc/57/26/76/1070572676.db2.gz GAWCFYYFOOVJMO-QFIPXVFZSA-N 1 2 496.700 3.740 20 0 JHADLO CCC[C@@H]1C[C@H]1n1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001313536510 1070629136 /nfs/dbraw/zinc/62/91/36/1070629136.db2.gz NRCOOXXAXWHREQ-UYAOXDASSA-N 1 2 475.037 3.632 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314604242 1070659838 /nfs/dbraw/zinc/65/98/38/1070659838.db2.gz LWSODVKLMHQATB-RBBKRZOGSA-N 1 2 473.687 3.710 20 0 JHADLO O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc2ccc(Cl)nc2cc1F ZINC001309282348 1070666914 /nfs/dbraw/zinc/66/69/14/1070666914.db2.gz AHTBRSGRVPLILU-UHFFFAOYSA-N 1 2 455.983 3.588 20 0 JHADLO CCSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314610069 1070672375 /nfs/dbraw/zinc/67/23/75/1070672375.db2.gz KBQGPWZULPZIGN-UHFFFAOYSA-N 1 2 476.448 3.901 20 0 JHADLO CCSCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001314614078 1070682306 /nfs/dbraw/zinc/68/23/06/1070682306.db2.gz JJEXJHSGZLJLTQ-UHFFFAOYSA-N 1 2 470.687 3.531 20 0 JHADLO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313569213 1070683251 /nfs/dbraw/zinc/68/32/51/1070683251.db2.gz MWCROSJQFSMRQM-BHIFYINESA-N 1 2 484.645 3.578 20 0 JHADLO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C[C@H]1n1cc[nH+]c1 ZINC001309302524 1070683329 /nfs/dbraw/zinc/68/33/29/1070683329.db2.gz XUKHATPFZSIGNB-NZSAHSFTSA-N 1 2 453.992 3.756 20 0 JHADLO CCSCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314614700 1070683506 /nfs/dbraw/zinc/68/35/06/1070683506.db2.gz OJLQTFRAJQWGIJ-UHFFFAOYSA-N 1 2 468.627 3.827 20 0 JHADLO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC001313583700 1070707445 /nfs/dbraw/zinc/70/74/45/1070707445.db2.gz JDHQPLKNDJWREZ-LJQANCHMSA-N 1 2 480.613 3.865 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCNc2cccc[nH+]2)C1 ZINC001314626334 1070716744 /nfs/dbraw/zinc/71/67/44/1070716744.db2.gz SHYMOLJGRPMPMS-SFHVURJKSA-N 1 2 466.590 3.616 20 0 JHADLO CN(C)C(=O)CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314629357 1070727223 /nfs/dbraw/zinc/72/72/23/1070727223.db2.gz ZAPNAHAQWFNLQT-QFIPXVFZSA-N 1 2 497.594 3.616 20 0 JHADLO CN(C)C(=O)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314632038 1070734418 /nfs/dbraw/zinc/73/44/18/1070734418.db2.gz LDDWAFVGTCAAGU-UHFFFAOYSA-N 1 2 475.641 3.833 20 0 JHADLO COc1cc(C)c(S(=O)(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c(C)c1 ZINC001309391774 1070741276 /nfs/dbraw/zinc/74/12/76/1070741276.db2.gz UHPZCDXWIDYPHL-UHFFFAOYSA-N 1 2 452.374 3.552 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1)c1ccco1 ZINC001314649110 1070754104 /nfs/dbraw/zinc/75/41/04/1070754104.db2.gz RWDVWNMPGVDPPN-IBGZPJMESA-N 1 2 489.667 3.576 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2cccc(C)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313634002 1070765059 /nfs/dbraw/zinc/76/50/59/1070765059.db2.gz ZLQAAOHMYQTVMA-UHFFFAOYSA-N 1 2 464.614 3.928 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)c[nH+]1 ZINC001314660704 1070785055 /nfs/dbraw/zinc/78/50/55/1070785055.db2.gz HZAZMADMICWKJU-IBGZPJMESA-N 1 2 472.540 3.919 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(F)CCC2)CC1 ZINC001313648562 1070818048 /nfs/dbraw/zinc/81/80/48/1070818048.db2.gz QPPFBEFYQQJAAY-UHFFFAOYSA-N 1 2 477.028 3.871 20 0 JHADLO CN(c1nnc(-c2cc(Br)c[nH]2)n1CCCNc1cccc[nH+]1)[C@@H]1CCSC1 ZINC001314681090 1070833839 /nfs/dbraw/zinc/83/38/39/1070833839.db2.gz VOHHAHRXSZXOPV-OAHLLOKOSA-N 1 2 462.421 3.875 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCC(C)(F)F ZINC001314712099 1070895681 /nfs/dbraw/zinc/89/56/81/1070895681.db2.gz DQGFGJCYZYHJLP-ZWKOTPCHSA-N 1 2 469.602 3.789 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CCOC2)c[nH+]1 ZINC001313673281 1070906445 /nfs/dbraw/zinc/90/64/45/1070906445.db2.gz LAFOURYKALJSDA-HXUWFJFHSA-N 1 2 450.587 3.716 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676473 1070921399 /nfs/dbraw/zinc/92/13/99/1070921399.db2.gz DSBOPNFUUGGYQH-PKTZIBPZSA-N 1 2 499.681 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)c[nH+]1 ZINC001313677955 1070927830 /nfs/dbraw/zinc/92/78/30/1070927830.db2.gz BUTIJPCWIMFWRR-NRFANRHFSA-N 1 2 464.614 3.989 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001313677228 1070924507 /nfs/dbraw/zinc/92/45/07/1070924507.db2.gz LYZBDGAFOAFKCV-JOCHJYFZSA-N 1 2 496.681 3.947 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(=O)OC)CC2)c[nH+]1 ZINC001313677485 1070925121 /nfs/dbraw/zinc/92/51/21/1070925121.db2.gz QWPBOUQNGSHZHU-UHFFFAOYSA-N 1 2 484.004 3.776 20 0 JHADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC001309696314 1070928301 /nfs/dbraw/zinc/92/83/01/1070928301.db2.gz JTJQPQPYEQCEIW-OAHLLOKOSA-N 1 2 459.793 3.664 20 0 JHADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC001309696314 1070928314 /nfs/dbraw/zinc/92/83/14/1070928314.db2.gz JTJQPQPYEQCEIW-OAHLLOKOSA-N 1 2 459.793 3.664 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](OC)C2)c[nH+]1 ZINC001313677777 1070926855 /nfs/dbraw/zinc/92/68/55/1070926855.db2.gz YJDABFIZVLFRKR-IBGZPJMESA-N 1 2 455.994 3.898 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001313678294 1070928628 /nfs/dbraw/zinc/92/86/28/1070928628.db2.gz HFZHINHHSSFUCX-MQSCRBSSSA-N 1 2 498.672 3.876 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](NC(C)=O)C2)c[nH+]1 ZINC001313678776 1070931716 /nfs/dbraw/zinc/93/17/16/1070931716.db2.gz IIZFQQSIUPVEKA-XMMPIXPASA-N 1 2 475.641 3.572 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c[nH+]1 ZINC001313678944 1070933008 /nfs/dbraw/zinc/93/30/08/1070933008.db2.gz NICBQWAWTHKCDL-HDICACEKSA-N 1 2 499.710 3.889 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N(C)[C@H]3CCSC3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313678883 1070933183 /nfs/dbraw/zinc/93/31/83/1070933183.db2.gz MLGGHSAWMAXJAZ-RDPSFJRHSA-N 1 2 474.675 3.550 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313679499 1070935660 /nfs/dbraw/zinc/93/56/60/1070935660.db2.gz NAWXFACTCCJPNW-KDURUIRLSA-N 1 2 452.578 3.911 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c[nH+]1 ZINC001313679975 1070936890 /nfs/dbraw/zinc/93/68/90/1070936890.db2.gz LJSOYXADUFXYNQ-NBGIEHNGSA-N 1 2 456.635 3.713 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@]3(CCO[C@H]3C)C2)c[nH+]1 ZINC001313679990 1070937021 /nfs/dbraw/zinc/93/70/21/1070937021.db2.gz QHYFDQXOIIYUGM-UQBPGWFLSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H]2C(C)C)c[nH+]1 ZINC001313680983 1070940618 /nfs/dbraw/zinc/94/06/18/1070940618.db2.gz PXNCSNLSCDZFLG-FUDKSRODSA-N 1 2 456.635 3.916 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(C)C)c[nH+]1 ZINC001313681441 1070940646 /nfs/dbraw/zinc/94/06/46/1070940646.db2.gz RNYKUBKNQLSMEJ-UHFFFAOYSA-N 1 2 477.661 3.834 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313683290 1070943475 /nfs/dbraw/zinc/94/34/75/1070943475.db2.gz BIWNSVOWDGUFBK-FDDCHVKYSA-N 1 2 463.623 3.611 20 0 JHADLO CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)ccc21 ZINC001309798288 1070973000 /nfs/dbraw/zinc/97/30/00/1070973000.db2.gz XTHIKCIIHUSBHK-QFIPXVFZSA-N 1 2 452.580 3.637 20 0 JHADLO Cc1ccc(Sc2ccc(N3CCN(S(=O)(=O)CCn4cc[nH+]c4)CC3)cc2)c(C)c1 ZINC001309892954 1071008288 /nfs/dbraw/zinc/00/82/88/1071008288.db2.gz VKDVEIMCIJTINX-UHFFFAOYSA-N 1 2 456.637 3.803 20 0 JHADLO CN(Cc1cnn(C)c1)c1nnc(-c2cccc(Br)c2)n1CCCNc1cccc[nH+]1 ZINC001314759962 1071015440 /nfs/dbraw/zinc/01/54/40/1071015440.db2.gz VNJAGXOWIZITIX-UHFFFAOYSA-N 1 2 481.402 3.975 20 0 JHADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001309991395 1071041359 /nfs/dbraw/zinc/04/13/59/1071041359.db2.gz PGYVTAQMTXFLCF-UHFFFAOYSA-N 1 2 453.568 3.967 20 0 JHADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001310075469 1071100119 /nfs/dbraw/zinc/10/01/19/1071100119.db2.gz NUFOLCDLHYYTHR-UHFFFAOYSA-N 1 2 457.600 3.673 20 0 JHADLO CCN(CC1CCC1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001313763952 1071109769 /nfs/dbraw/zinc/10/97/69/1071109769.db2.gz CEHWFWJKHVEKPS-UHFFFAOYSA-N 1 2 468.646 3.884 20 0 JHADLO CCN(CC1CCC1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001313763952 1071109776 /nfs/dbraw/zinc/10/97/76/1071109776.db2.gz CEHWFWJKHVEKPS-UHFFFAOYSA-N 1 2 468.646 3.884 20 0 JHADLO CN(CC1CCOCC1)c1nnc(-c2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314817976 1071126331 /nfs/dbraw/zinc/12/63/31/1071126331.db2.gz YXVHICKVUAZIFH-OAQYLSRUSA-N 1 2 456.541 3.784 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CCCS1 ZINC001313777797 1071137045 /nfs/dbraw/zinc/13/70/45/1071137045.db2.gz BRENGXHLOCKJKO-RUZDIDTESA-N 1 2 485.702 3.840 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F ZINC001313777791 1071137077 /nfs/dbraw/zinc/13/70/77/1071137077.db2.gz BPHVJDRVRQMMLX-UHFFFAOYSA-N 1 2 493.578 3.752 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccccc2OC)n1CC(=O)NC(C)C ZINC001313777783 1071137105 /nfs/dbraw/zinc/13/71/05/1071137105.db2.gz BISPBQNJHINTAA-UHFFFAOYSA-N 1 2 491.640 3.616 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCCCO1 ZINC001313779829 1071143357 /nfs/dbraw/zinc/14/33/57/1071143357.db2.gz RJGWMEQJMOFYFA-QFIPXVFZSA-N 1 2 483.661 3.513 20 0 JHADLO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001310140454 1071148624 /nfs/dbraw/zinc/14/86/24/1071148624.db2.gz SUQHXEJSNDJRDP-UNVFRBQDSA-N 1 2 451.567 3.644 20 0 JHADLO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001310140454 1071148629 /nfs/dbraw/zinc/14/86/29/1071148629.db2.gz SUQHXEJSNDJRDP-UNVFRBQDSA-N 1 2 451.567 3.644 20 0 JHADLO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313807349 1071228105 /nfs/dbraw/zinc/22/81/05/1071228105.db2.gz KYFXKCISBJALDJ-SFHVURJKSA-N 1 2 487.592 3.541 20 0 JHADLO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313807349 1071228110 /nfs/dbraw/zinc/22/81/10/1071228110.db2.gz KYFXKCISBJALDJ-SFHVURJKSA-N 1 2 487.592 3.541 20 0 JHADLO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313819234 1071273019 /nfs/dbraw/zinc/27/30/19/1071273019.db2.gz JPKCDLGRICRDPY-LJQANCHMSA-N 1 2 493.640 3.689 20 0 JHADLO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313819234 1071273026 /nfs/dbraw/zinc/27/30/26/1071273026.db2.gz JPKCDLGRICRDPY-LJQANCHMSA-N 1 2 493.640 3.689 20 0 JHADLO COC(=O)CCCOc1ccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC001310290516 1071273983 /nfs/dbraw/zinc/27/39/83/1071273983.db2.gz KNPGPXRRUUDFPK-LJQANCHMSA-N 1 2 455.555 3.734 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1Cc1ccncc1Cl ZINC001314870329 1071280131 /nfs/dbraw/zinc/28/01/31/1071280131.db2.gz PPKFTVPNOVALER-UHFFFAOYSA-N 1 2 491.821 3.573 20 0 JHADLO Cc1ccc(Cc2nnc(NC(=O)NC[C@@H]3C[N@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310296760 1071280803 /nfs/dbraw/zinc/28/08/03/1071280803.db2.gz NJXKRQSHSHILCU-OAQYLSRUSA-N 1 2 451.596 3.768 20 0 JHADLO Cc1ccc(Cc2nnc(NC(=O)NC[C@@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310296760 1071280819 /nfs/dbraw/zinc/28/08/19/1071280819.db2.gz NJXKRQSHSHILCU-OAQYLSRUSA-N 1 2 451.596 3.768 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001314874546 1071291537 /nfs/dbraw/zinc/29/15/37/1071291537.db2.gz YGUFOBWPRLZAFQ-UHFFFAOYSA-N 1 2 455.525 3.582 20 0 JHADLO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1-c1ncco1 ZINC001310405246 1071370243 /nfs/dbraw/zinc/37/02/43/1071370243.db2.gz MOMBMSXROVDIAX-IBGZPJMESA-N 1 2 455.559 3.809 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001313872909 1071423049 /nfs/dbraw/zinc/42/30/49/1071423049.db2.gz YFQPSQLZKGEIQZ-RTWAWAEBSA-N 1 2 473.687 3.860 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001313872909 1071423058 /nfs/dbraw/zinc/42/30/58/1071423058.db2.gz YFQPSQLZKGEIQZ-RTWAWAEBSA-N 1 2 473.687 3.860 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314956573 1071430714 /nfs/dbraw/zinc/43/07/14/1071430714.db2.gz AVVRGCQETQTEIY-HXUWFJFHSA-N 1 2 493.631 3.506 20 0 JHADLO CNC(=O)CCCN(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001315026854 1071552887 /nfs/dbraw/zinc/55/28/87/1071552887.db2.gz WOSZUKLVELWFEZ-UHFFFAOYSA-N 1 2 491.640 3.740 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926165 1071575475 /nfs/dbraw/zinc/57/54/75/1071575475.db2.gz ALIOSHZPZDIGAX-NRFANRHFSA-N 1 2 476.616 3.735 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313926199 1071576258 /nfs/dbraw/zinc/57/62/58/1071576258.db2.gz BLGULLBDZPYVRJ-GOTSBHOMSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926523 1071576910 /nfs/dbraw/zinc/57/69/10/1071576910.db2.gz DGYASEVZZROVHD-BKMJKUGQSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929019 1071585864 /nfs/dbraw/zinc/58/58/64/1071585864.db2.gz XAIPLJUMMZUDJJ-QHCPKHFHSA-N 1 2 452.647 3.656 20 0 JHADLO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315075293 1071587591 /nfs/dbraw/zinc/58/75/91/1071587591.db2.gz BAKSDWMGGOODEY-MRXNPFEDSA-N 1 2 487.402 3.761 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001313930415 1071587985 /nfs/dbraw/zinc/58/79/85/1071587985.db2.gz BZCGKJWCZSPPLB-HNNXBMFYSA-N 1 2 486.469 3.750 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001313930415 1071587990 /nfs/dbraw/zinc/58/79/90/1071587990.db2.gz BZCGKJWCZSPPLB-HNNXBMFYSA-N 1 2 486.469 3.750 20 0 JHADLO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001313968702 1071692584 /nfs/dbraw/zinc/69/25/84/1071692584.db2.gz AWXRONCXPPHUAJ-LJQANCHMSA-N 1 2 490.718 3.600 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001314041907 1071846662 /nfs/dbraw/zinc/84/66/62/1071846662.db2.gz WZLQLDIUPVFIAT-OAQYLSRUSA-N 1 2 469.634 3.940 20 0 JHADLO CCOC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001314051239 1071873037 /nfs/dbraw/zinc/87/30/37/1071873037.db2.gz DXDCFQUNVPXXCI-JOCHJYFZSA-N 1 2 475.609 3.805 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC001305925820 1068221404 /nfs/dbraw/zinc/22/14/04/1068221404.db2.gz MWSPAZWSEDCMKE-XUZZJYLKSA-N 1 2 455.647 3.871 20 0 JHADLO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cnccn2)n1CCCc1cccc(C)[nH+]1 ZINC001305975334 1068312644 /nfs/dbraw/zinc/31/26/44/1068312644.db2.gz SHEHQVRVAOJLFV-UHFFFAOYSA-N 1 2 470.581 3.709 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305991264 1068352620 /nfs/dbraw/zinc/35/26/20/1068352620.db2.gz XKGVYSNJXOJKQR-NFBKMPQASA-N 1 2 473.687 3.718 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)s1 ZINC001306003157 1068377963 /nfs/dbraw/zinc/37/79/63/1068377963.db2.gz YYCUFOFMHJCUMG-SFHVURJKSA-N 1 2 482.658 3.936 20 0 JHADLO CCc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306080408 1068510968 /nfs/dbraw/zinc/51/09/68/1068510968.db2.gz YXHHRQJFDIOFDP-YTTGMZPUSA-N 1 2 452.628 3.648 20 0 JHADLO CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306133108 1068535675 /nfs/dbraw/zinc/53/56/75/1068535675.db2.gz NVKFUFDBNIIJAT-HXUWFJFHSA-N 1 2 479.595 3.985 20 0 JHADLO CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306133312 1068536608 /nfs/dbraw/zinc/53/66/08/1068536608.db2.gz FDUCYQGHBMEFDM-GMAHTHKFSA-N 1 2 498.672 3.607 20 0 JHADLO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306195132 1068585939 /nfs/dbraw/zinc/58/59/39/1068585939.db2.gz XFNAIGJAFKLXLS-UHFFFAOYSA-N 1 2 467.593 3.604 20 0 JHADLO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001306324462 1068759038 /nfs/dbraw/zinc/75/90/38/1068759038.db2.gz JERNUGABRGFFPN-OAQYLSRUSA-N 1 2 468.646 3.884 20 0 JHADLO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001306324462 1068759040 /nfs/dbraw/zinc/75/90/40/1068759040.db2.gz JERNUGABRGFFPN-OAQYLSRUSA-N 1 2 468.646 3.884 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001306404225 1068869630 /nfs/dbraw/zinc/86/96/30/1068869630.db2.gz ZEKIGYZJDBZVJJ-ICSRJNTNSA-N 1 2 489.667 3.576 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001306456463 1068981701 /nfs/dbraw/zinc/98/17/01/1068981701.db2.gz FIDJSRDDFZQNCR-VQTJNVASSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001306456463 1068981714 /nfs/dbraw/zinc/98/17/14/1068981714.db2.gz FIDJSRDDFZQNCR-VQTJNVASSA-N 1 2 461.701 3.931 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306471391 1069015109 /nfs/dbraw/zinc/01/51/09/1069015109.db2.gz WHAUQXQWXLTGRJ-QQUYBBDPSA-N 1 2 468.646 3.533 20 0 JHADLO CC/C=C/Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001306484835 1069024232 /nfs/dbraw/zinc/02/42/32/1069024232.db2.gz JWQLVGKULRZAPD-SNAWJCMRSA-N 1 2 450.562 3.700 20 0 JHADLO COc1ccc(-c2nnc(NC(=O)NC[C@@H]3C[N@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310597622 1069041274 /nfs/dbraw/zinc/04/12/74/1069041274.db2.gz HOPSNVSQEQEJQJ-HXUWFJFHSA-N 1 2 453.568 3.545 20 0 JHADLO COc1ccc(-c2nnc(NC(=O)NC[C@@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310597622 1069041281 /nfs/dbraw/zinc/04/12/81/1069041281.db2.gz HOPSNVSQEQEJQJ-HXUWFJFHSA-N 1 2 453.568 3.545 20 0 JHADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001310604146 1069046695 /nfs/dbraw/zinc/04/66/95/1069046695.db2.gz QHBGRDNOYZEHGC-PZJWPPBQSA-N 1 2 459.974 3.778 20 0 JHADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001310604146 1069046713 /nfs/dbraw/zinc/04/67/13/1069046713.db2.gz QHBGRDNOYZEHGC-PZJWPPBQSA-N 1 2 459.974 3.778 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001306510160 1069100554 /nfs/dbraw/zinc/10/05/54/1069100554.db2.gz CNFWGQYVAIYHBF-QFIPXVFZSA-N 1 2 497.594 3.806 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2Cc2c[nH+]ccc2OC)CC1 ZINC001306511312 1069104947 /nfs/dbraw/zinc/10/49/47/1069104947.db2.gz ZFORJPGVFNTPAZ-UHFFFAOYSA-N 1 2 468.989 3.936 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001306518491 1069133245 /nfs/dbraw/zinc/13/32/45/1069133245.db2.gz NBDMNJFXUJGICP-YLJYHZDGSA-N 1 2 462.589 3.554 20 0 JHADLO CCOC(=O)C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC001310972652 1069237036 /nfs/dbraw/zinc/23/70/36/1069237036.db2.gz LWVMGAYRCPGZBP-HUUCEWRRSA-N 1 2 453.864 3.799 20 0 JHADLO CC(C)COc1cc(NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)ncn1 ZINC001311088792 1069269540 /nfs/dbraw/zinc/26/95/40/1069269540.db2.gz LISPFUFGINNRAZ-UHFFFAOYSA-N 1 2 453.465 3.760 20 0 JHADLO CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2C1 ZINC001311093458 1069271005 /nfs/dbraw/zinc/27/10/05/1069271005.db2.gz YOOFSZZPOCDHJI-IBGZPJMESA-N 1 2 453.543 3.612 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1 ZINC001311217476 1069300395 /nfs/dbraw/zinc/30/03/95/1069300395.db2.gz QDRLMESPGWJYIO-HXUWFJFHSA-N 1 2 450.583 3.814 20 0 JHADLO O=C(Nc1ccc(C(F)(F)F)c(I)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC001311220326 1069301406 /nfs/dbraw/zinc/30/14/06/1069301406.db2.gz WJNFUHGTLRGFBC-JTQLQIEISA-N 1 2 450.202 3.643 20 0 JHADLO COc1nc(Cl)ncc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419045 718890656 /nfs/dbraw/zinc/89/06/56/718890656.db2.gz PITBLJBGSIMCCX-GFCCVEGCSA-N 1 2 474.693 3.672 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@@H](C3)OCC4(F)F)c2c1C ZINC001164424115 718929919 /nfs/dbraw/zinc/92/99/19/718929919.db2.gz LJULYAFVTAYHJY-HUUCEWRRSA-N 1 2 466.554 3.633 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)CC2)C1=O ZINC001164644270 719283014 /nfs/dbraw/zinc/28/30/14/719283014.db2.gz GFWGVAJDMHUOED-UHFFFAOYSA-N 1 2 487.604 3.695 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)CC2)C1=O ZINC001164644270 719283016 /nfs/dbraw/zinc/28/30/16/719283016.db2.gz GFWGVAJDMHUOED-UHFFFAOYSA-N 1 2 487.604 3.695 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164663471 719349250 /nfs/dbraw/zinc/34/92/50/719349250.db2.gz HWFDRSCYOODPEC-UHFFFAOYSA-N 1 2 462.989 3.711 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164663471 719349251 /nfs/dbraw/zinc/34/92/51/719349251.db2.gz HWFDRSCYOODPEC-UHFFFAOYSA-N 1 2 462.989 3.711 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(C(=O)NC)n1)CC2 ZINC001164660737 719351886 /nfs/dbraw/zinc/35/18/86/719351886.db2.gz YFEYAJACSORPJX-UHFFFAOYSA-N 1 2 465.001 3.789 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(C(=O)NC)n1)CC2 ZINC001164660737 719351887 /nfs/dbraw/zinc/35/18/87/719351887.db2.gz YFEYAJACSORPJX-UHFFFAOYSA-N 1 2 465.001 3.789 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164658948 719352464 /nfs/dbraw/zinc/35/24/64/719352464.db2.gz MRXQCHUKXGHATR-UHFFFAOYSA-N 1 2 474.609 3.718 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164658948 719352467 /nfs/dbraw/zinc/35/24/67/719352467.db2.gz MRXQCHUKXGHATR-UHFFFAOYSA-N 1 2 474.609 3.718 20 0 JHADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1 ZINC001164666012 719356204 /nfs/dbraw/zinc/35/62/04/719356204.db2.gz ZTWNVWCDTPXNSP-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1 ZINC001164666012 719356207 /nfs/dbraw/zinc/35/62/07/719356207.db2.gz ZTWNVWCDTPXNSP-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO COc1cc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c(OC)c1 ZINC001164671705 719510288 /nfs/dbraw/zinc/51/02/88/719510288.db2.gz HYZPRYMXJNHDFP-UHFFFAOYSA-N 1 2 452.530 3.658 20 0 JHADLO COc1cc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c(OC)c1 ZINC001164671705 719510292 /nfs/dbraw/zinc/51/02/92/719510292.db2.gz HYZPRYMXJNHDFP-UHFFFAOYSA-N 1 2 452.530 3.658 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)CC3)cc1 ZINC001164673351 719513442 /nfs/dbraw/zinc/51/34/42/719513442.db2.gz PMDCZSPKPIMOTH-UHFFFAOYSA-N 1 2 496.414 3.631 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)CC3)cc1 ZINC001164673351 719513458 /nfs/dbraw/zinc/51/34/58/719513458.db2.gz PMDCZSPKPIMOTH-UHFFFAOYSA-N 1 2 496.414 3.631 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164707595 719869795 /nfs/dbraw/zinc/86/97/95/719869795.db2.gz UCRUYFNNAYKGFY-AVRDEDQJSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2Cl)nc(C)c1C ZINC001164703080 719873608 /nfs/dbraw/zinc/87/36/08/719873608.db2.gz JTPIGQPLQNJZIT-UUOWRZLLSA-N 1 2 458.990 3.647 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC001164703858 719876276 /nfs/dbraw/zinc/87/62/76/719876276.db2.gz KZKHSHYFYYINSQ-SQJMNOBHSA-N 1 2 473.017 3.570 20 0 JHADLO COc1ccc2c(c1)nc(N1CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C1)cc2-c1ccccc1 ZINC001164708816 719925032 /nfs/dbraw/zinc/92/50/32/719925032.db2.gz SCDBOHANMBDEMZ-UHFFFAOYSA-N 1 2 496.615 3.594 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCC)[C@H]4OCCC[C@H]43)c2c1C ZINC001164716919 720063485 /nfs/dbraw/zinc/06/34/85/720063485.db2.gz XTVWUAOPRQTUDI-LQWHRVPQSA-N 1 2 488.654 3.935 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C2)C1 ZINC001164717568 720241046 /nfs/dbraw/zinc/24/10/46/720241046.db2.gz BHUVUEHOTBVLID-NRFANRHFSA-N 1 2 487.378 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C2)C1 ZINC001164717568 720241053 /nfs/dbraw/zinc/24/10/53/720241053.db2.gz BHUVUEHOTBVLID-NRFANRHFSA-N 1 2 487.378 3.751 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2=O)cs1 ZINC001164824065 720367458 /nfs/dbraw/zinc/36/74/58/720367458.db2.gz IBWSOJNZHNDICP-UHFFFAOYSA-N 1 2 487.633 3.703 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2=O)cs1 ZINC001164824065 720367467 /nfs/dbraw/zinc/36/74/67/720367467.db2.gz IBWSOJNZHNDICP-UHFFFAOYSA-N 1 2 487.633 3.703 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164824131 720440577 /nfs/dbraw/zinc/44/05/77/720440577.db2.gz MMBJMVRQJDBAMQ-QGZVFWFLSA-N 1 2 496.662 3.606 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1-c1ccccc1)C2 ZINC001164827158 720449884 /nfs/dbraw/zinc/44/98/84/720449884.db2.gz ZLXBVRGTPNTAHR-HXUWFJFHSA-N 1 2 468.001 3.588 20 0 JHADLO Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)n1 ZINC001164874799 721329938 /nfs/dbraw/zinc/32/99/38/721329938.db2.gz JFCLXTYUORPOEM-SFHVURJKSA-N 1 2 451.962 3.647 20 0 JHADLO COc1ccc2nc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164784074 721429342 /nfs/dbraw/zinc/42/93/42/721429342.db2.gz KIYQRQJWDSIMER-STQMWFEESA-N 1 2 451.930 3.861 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001165010523 721718354 /nfs/dbraw/zinc/71/83/54/721718354.db2.gz IIGMUKSZGQRCMP-UHFFFAOYSA-N 1 2 460.630 3.976 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001165010523 721718360 /nfs/dbraw/zinc/71/83/60/721718360.db2.gz IIGMUKSZGQRCMP-UHFFFAOYSA-N 1 2 460.630 3.976 20 0 JHADLO Clc1cc(OCc2ccccc2)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917916 721791474 /nfs/dbraw/zinc/79/14/74/721791474.db2.gz ZWSYZFOCPBHJMA-AREMUKBSSA-N 1 2 480.996 3.817 20 0 JHADLO Clc1cc(OCc2ccccc2)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917916 721791475 /nfs/dbraw/zinc/79/14/75/721791475.db2.gz ZWSYZFOCPBHJMA-AREMUKBSSA-N 1 2 480.996 3.817 20 0 JHADLO CC(C)(C)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164914954 721793154 /nfs/dbraw/zinc/79/31/54/721793154.db2.gz SBAOERAQAWJMND-AREMUKBSSA-N 1 2 453.631 3.574 20 0 JHADLO CC(C)(C)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164914954 721793157 /nfs/dbraw/zinc/79/31/57/721793157.db2.gz SBAOERAQAWJMND-AREMUKBSSA-N 1 2 453.631 3.574 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913716 721800618 /nfs/dbraw/zinc/80/06/18/721800618.db2.gz GJMSMULXTBBXSE-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913716 721800619 /nfs/dbraw/zinc/80/06/19/721800619.db2.gz GJMSMULXTBBXSE-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054857 722019793 /nfs/dbraw/zinc/01/97/93/722019793.db2.gz GKRKUWZSMSLGEI-UHFFFAOYSA-N 1 2 475.927 3.893 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164973631 722097110 /nfs/dbraw/zinc/09/71/10/722097110.db2.gz BJQCFMFBFICQLO-JCYRPKCISA-N 1 2 468.605 3.581 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164973631 722097111 /nfs/dbraw/zinc/09/71/11/722097111.db2.gz BJQCFMFBFICQLO-JCYRPKCISA-N 1 2 468.605 3.581 20 0 JHADLO O=C(Nc1cc(OC(F)(F)F)ccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001311259359 1069310459 /nfs/dbraw/zinc/31/04/59/1069310459.db2.gz GFOJUZZYMNHTSL-GFCCVEGCSA-N 1 2 452.271 3.676 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633107 1069335213 /nfs/dbraw/zinc/33/52/13/1069335213.db2.gz QNJZUCXOXISBDV-URXFXBBRSA-N 1 2 485.673 3.881 20 0 JHADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001311351737 1069337896 /nfs/dbraw/zinc/33/78/96/1069337896.db2.gz ATJDCTXWDDAEEN-UHFFFAOYSA-N 1 2 454.534 3.602 20 0 JHADLO CC1(C)C[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCO1 ZINC001311378529 1069352155 /nfs/dbraw/zinc/35/21/55/1069352155.db2.gz NBAACPFDMRZQPG-FQEVSTJZSA-N 1 2 455.578 3.552 20 0 JHADLO CCCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306676738 1069400913 /nfs/dbraw/zinc/40/09/13/1069400913.db2.gz LXPOLZCCIKBCOW-QFIPXVFZSA-N 1 2 454.644 3.944 20 0 JHADLO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001311545301 1069432453 /nfs/dbraw/zinc/43/24/53/1069432453.db2.gz KQYUGXHOHXCAKR-YUXAGFNASA-N 1 2 459.631 3.711 20 0 JHADLO COc1cc([C@H](C)NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1OCc1ccccc1 ZINC001311621290 1069472206 /nfs/dbraw/zinc/47/22/06/1069472206.db2.gz ACYSCRVNAAAYCP-JTAQYXEDSA-N 1 2 453.583 3.840 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306731412 1069485858 /nfs/dbraw/zinc/48/58/58/1069485858.db2.gz JNNNMFSETULMOH-NHCUHLMSSA-N 1 2 478.645 3.536 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665426 1069494572 /nfs/dbraw/zinc/49/45/72/1069494572.db2.gz ILPDABOJVZAJCH-RDGATRHJSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665426 1069494576 /nfs/dbraw/zinc/49/45/76/1069494576.db2.gz ILPDABOJVZAJCH-RDGATRHJSA-N 1 2 458.002 3.539 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311690983 1069505202 /nfs/dbraw/zinc/50/52/02/1069505202.db2.gz QOYXEXNMDNTXIF-OREJSRFESA-N 1 2 453.917 3.757 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311690983 1069505207 /nfs/dbraw/zinc/50/52/07/1069505207.db2.gz QOYXEXNMDNTXIF-OREJSRFESA-N 1 2 453.917 3.757 20 0 JHADLO O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001311699231 1069509614 /nfs/dbraw/zinc/50/96/14/1069509614.db2.gz HNKVCEHWZSZOJA-DEOSSOPVSA-N 1 2 459.587 3.668 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC001311778701 1069542973 /nfs/dbraw/zinc/54/29/73/1069542973.db2.gz RNSNEHAMSGZGHS-XZOQPEGZSA-N 1 2 450.583 3.705 20 0 JHADLO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001306775637 1069571909 /nfs/dbraw/zinc/57/19/09/1069571909.db2.gz NWGBYXWFKZYMFI-MOPGFXCFSA-N 1 2 473.622 3.515 20 0 JHADLO CCCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306794335 1069600890 /nfs/dbraw/zinc/60/08/90/1069600890.db2.gz BMFMYFUCXOHCOV-FQEVSTJZSA-N 1 2 464.614 3.782 20 0 JHADLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1cccc(C(F)(F)F)c1 ZINC001311947211 1069627598 /nfs/dbraw/zinc/62/75/98/1069627598.db2.gz KSAKZYOWZWBWRL-HXUWFJFHSA-N 1 2 451.489 3.929 20 0 JHADLO CCOc1cc(Cn2c(C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)ccc1OC ZINC001314159914 1069641743 /nfs/dbraw/zinc/64/17/43/1069641743.db2.gz JVQHRLSTXZRBSL-HXUWFJFHSA-N 1 2 471.627 3.613 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1 ZINC001312014900 1069670906 /nfs/dbraw/zinc/67/09/06/1069670906.db2.gz YADFGCNIVOZNAR-XMMPIXPASA-N 1 2 452.574 3.927 20 0 JHADLO C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc(F)cc1OC(F)F ZINC001312044086 1069689787 /nfs/dbraw/zinc/68/97/87/1069689787.db2.gz BMJQRWFKCROSLS-APWZRJJASA-N 1 2 451.489 3.731 20 0 JHADLO COc1ccccc1[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001312044043 1069689793 /nfs/dbraw/zinc/68/97/93/1069689793.db2.gz ARJOVUTVAMIPSM-RPWUZVMVSA-N 1 2 451.611 3.918 20 0 JHADLO O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312048644 1069692540 /nfs/dbraw/zinc/69/25/40/1069692540.db2.gz QVLVNEXLFPKPTI-CLJLJLNGSA-N 1 2 458.606 3.651 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)CC2)c1 ZINC001312059231 1069698980 /nfs/dbraw/zinc/69/89/80/1069698980.db2.gz WDHFNQYOZZFQIN-IBGZPJMESA-N 1 2 450.539 3.817 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001314175151 1069700422 /nfs/dbraw/zinc/70/04/22/1069700422.db2.gz XAMRPGXJPJACFU-OAQYLSRUSA-N 1 2 492.624 3.651 20 0 JHADLO CCCN(CCC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001307005572 1069701472 /nfs/dbraw/zinc/70/14/72/1069701472.db2.gz OLEPAFPDGODSMO-UHFFFAOYSA-N 1 2 461.570 3.753 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCS[C@H](CC)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314200176 1069790856 /nfs/dbraw/zinc/79/08/56/1069790856.db2.gz OMZSAJZMUYCQLM-TXTKFYIRSA-N 1 2 489.686 3.869 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC001312225386 1069792519 /nfs/dbraw/zinc/79/25/19/1069792519.db2.gz AGXRSGSQUUVTRH-NRFANRHFSA-N 1 2 455.599 3.835 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC001312225386 1069792531 /nfs/dbraw/zinc/79/25/31/1069792531.db2.gz AGXRSGSQUUVTRH-NRFANRHFSA-N 1 2 455.599 3.835 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)O[C@H](C)C2 ZINC001312328580 1069866885 /nfs/dbraw/zinc/86/68/85/1069866885.db2.gz YZCKFDLIGQQZDS-AIYSXCBHSA-N 1 2 459.974 3.543 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)O[C@H](C)C2 ZINC001312328580 1069866910 /nfs/dbraw/zinc/86/69/10/1069866910.db2.gz YZCKFDLIGQQZDS-AIYSXCBHSA-N 1 2 459.974 3.543 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314221292 1069871141 /nfs/dbraw/zinc/87/11/41/1069871141.db2.gz ACPYXVVUTIBHOF-SFTDATJTSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314221292 1069871145 /nfs/dbraw/zinc/87/11/45/1069871145.db2.gz ACPYXVVUTIBHOF-SFTDATJTSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ncccc1Cn1c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nnc1C(C)(C)C ZINC001314233518 1069925188 /nfs/dbraw/zinc/92/51/88/1069925188.db2.gz WYPSLPAAUKFFSA-UHFFFAOYSA-N 1 2 478.645 3.966 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312427981 1069930963 /nfs/dbraw/zinc/93/09/63/1069930963.db2.gz ZYFAQCCOUNWMLN-PKTZIBPZSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312427981 1069930973 /nfs/dbraw/zinc/93/09/73/1069930973.db2.gz ZYFAQCCOUNWMLN-PKTZIBPZSA-N 1 2 453.974 3.943 20 0 JHADLO CCOC1CC(Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314239121 1069939528 /nfs/dbraw/zinc/93/95/28/1069939528.db2.gz DDIRHLXYWPOPDJ-UHFFFAOYSA-N 1 2 477.694 3.629 20 0 JHADLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nnc(-c4cccc(Cl)c4)n3C)CC2)c1 ZINC001307312147 1069939669 /nfs/dbraw/zinc/93/96/69/1069939669.db2.gz JHPUGEPWYXFBIM-UHFFFAOYSA-N 1 2 456.015 3.880 20 0 JHADLO CCOC1CC(Cn2c(N(C)Cc3csc(CC)n3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314240794 1069942387 /nfs/dbraw/zinc/94/23/87/1069942387.db2.gz VWZSPSIKKCKYGG-UHFFFAOYSA-N 1 2 476.691 3.501 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)[nH+]c12 ZINC001312476506 1069959388 /nfs/dbraw/zinc/95/93/88/1069959388.db2.gz XGCMRPDHHDGFKB-IEBWSBKVSA-N 1 2 458.360 3.562 20 0 JHADLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC001307423644 1069976917 /nfs/dbraw/zinc/97/69/17/1069976917.db2.gz LHJFGMOVONECND-QFBILLFUSA-N 1 2 456.368 3.644 20 0 JHADLO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1Cl ZINC001312501072 1069976567 /nfs/dbraw/zinc/97/65/67/1069976567.db2.gz WEGQLXOHTNULFK-PZJWPPBQSA-N 1 2 458.971 3.668 20 0 JHADLO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1Cl ZINC001312501073 1069976704 /nfs/dbraw/zinc/97/67/04/1069976704.db2.gz WEGQLXOHTNULFK-TZIWHRDSSA-N 1 2 458.971 3.668 20 0 JHADLO CSc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC001307425327 1069978379 /nfs/dbraw/zinc/97/83/79/1069978379.db2.gz CPYBAXCHWDTCMN-OAHLLOKOSA-N 1 2 455.407 3.913 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425489 1069978399 /nfs/dbraw/zinc/97/83/99/1069978399.db2.gz HCPCHZYSLFBHBY-RBBKRZOGSA-N 1 2 455.357 3.950 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425489 1069978411 /nfs/dbraw/zinc/97/84/11/1069978411.db2.gz HCPCHZYSLFBHBY-RBBKRZOGSA-N 1 2 455.357 3.950 20 0 JHADLO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC001307454448 1069994609 /nfs/dbraw/zinc/99/46/09/1069994609.db2.gz UUIKJXPKYUFUOT-UHFFFAOYSA-N 1 2 452.780 3.867 20 0 JHADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC001307458390 1069996657 /nfs/dbraw/zinc/99/66/57/1069996657.db2.gz HYJOLIDYICWMIN-UHFFFAOYSA-N 1 2 451.586 3.992 20 0 JHADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC001307458390 1069996666 /nfs/dbraw/zinc/99/66/66/1069996666.db2.gz HYJOLIDYICWMIN-UHFFFAOYSA-N 1 2 451.586 3.992 20 0 JHADLO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1(C)C ZINC001314260456 1070000998 /nfs/dbraw/zinc/00/09/98/1070000998.db2.gz YOWZQPXTQFUSFA-RTWAWAEBSA-N 1 2 466.634 3.608 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCN(Cc3ccc(Cl)nc3)CC2)[C@H](O)c2ccccc21 ZINC001307474964 1070006279 /nfs/dbraw/zinc/00/62/79/1070006279.db2.gz KDGAPZVXEFAWFC-RBBKRZOGSA-N 1 2 458.990 3.710 20 0 JHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505276 1070022872 /nfs/dbraw/zinc/02/28/72/1070022872.db2.gz YNYDFSDIJRILFH-AUUYWEPGSA-N 1 2 453.967 3.751 20 0 JHADLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505276 1070022881 /nfs/dbraw/zinc/02/28/81/1070022881.db2.gz YNYDFSDIJRILFH-AUUYWEPGSA-N 1 2 453.967 3.751 20 0 JHADLO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001307523962 1070033028 /nfs/dbraw/zinc/03/30/28/1070033028.db2.gz QROXQPDLMDXNEB-NRFANRHFSA-N 1 2 452.473 3.755 20 0 JHADLO CCO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314279542 1070040101 /nfs/dbraw/zinc/04/01/01/1070040101.db2.gz ZNOCCQTVMOTSLC-SIKLNZKXSA-N 1 2 470.568 3.850 20 0 JHADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC001307558245 1070051227 /nfs/dbraw/zinc/05/12/27/1070051227.db2.gz CFGFOMOPUYQFNB-INIZCTEOSA-N 1 2 456.564 3.904 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC001307561274 1070053609 /nfs/dbraw/zinc/05/36/09/1070053609.db2.gz GPSHNVNWXIAWPR-HSZRJFAPSA-N 1 2 453.631 3.860 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC001307561274 1070053623 /nfs/dbraw/zinc/05/36/23/1070053623.db2.gz GPSHNVNWXIAWPR-HSZRJFAPSA-N 1 2 453.631 3.860 20 0 JHADLO C[N@H+](CCc1ccccn1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC001307589856 1070068619 /nfs/dbraw/zinc/06/86/19/1070068619.db2.gz PNPZHFQLWOHQMW-UHFFFAOYSA-N 1 2 452.150 3.930 20 0 JHADLO C[N@@H+](CCc1ccccn1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC001307589856 1070068628 /nfs/dbraw/zinc/06/86/28/1070068628.db2.gz PNPZHFQLWOHQMW-UHFFFAOYSA-N 1 2 452.150 3.930 20 0 JHADLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001307597096 1070072416 /nfs/dbraw/zinc/07/24/16/1070072416.db2.gz KQKIBIVDBDUGAE-MRXNPFEDSA-N 1 2 450.808 3.925 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314306143 1070093508 /nfs/dbraw/zinc/09/35/08/1070093508.db2.gz VMOJVHHXVADPKT-UHFFFAOYSA-N 1 2 480.613 3.989 20 0 JHADLO CC[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307649196 1070101862 /nfs/dbraw/zinc/10/18/62/1070101862.db2.gz GTOJDDFDNZLUMP-CVEARBPZSA-N 1 2 453.605 3.715 20 0 JHADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307649196 1070101866 /nfs/dbraw/zinc/10/18/66/1070101866.db2.gz GTOJDDFDNZLUMP-CVEARBPZSA-N 1 2 453.605 3.715 20 0 JHADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001312767194 1070112151 /nfs/dbraw/zinc/11/21/51/1070112151.db2.gz XVOOZDHVTPUBPR-UHFFFAOYSA-N 1 2 458.349 3.733 20 0 JHADLO Cc1cc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nc(N2CCCC2)n1 ZINC001312803029 1070131700 /nfs/dbraw/zinc/13/17/00/1070131700.db2.gz FTGBOESAVJBHCA-UHFFFAOYSA-N 1 2 453.978 3.647 20 0 JHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001307715133 1070141637 /nfs/dbraw/zinc/14/16/37/1070141637.db2.gz CLUIPCDGSIXSLH-JOCHJYFZSA-N 1 2 453.584 3.566 20 0 JHADLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001307715133 1070141642 /nfs/dbraw/zinc/14/16/42/1070141642.db2.gz CLUIPCDGSIXSLH-JOCHJYFZSA-N 1 2 453.584 3.566 20 0 JHADLO COC(=O)C1(c2ccc(C[NH+]3CCC(O)(c4scnc4Br)CC3)cc2)CC1 ZINC001307724662 1070149636 /nfs/dbraw/zinc/14/96/36/1070149636.db2.gz RRHOCTLCMIUPDI-UHFFFAOYSA-N 1 2 451.386 3.594 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307727665 1070151848 /nfs/dbraw/zinc/15/18/48/1070151848.db2.gz WGYCICGCPLANQQ-FOIQADDNSA-N 1 2 453.402 3.768 20 0 JHADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC001307756277 1070168474 /nfs/dbraw/zinc/16/84/74/1070168474.db2.gz ANVZKEFEHIAJQZ-FPOVZHCZSA-N 1 2 452.498 3.650 20 0 JHADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC001307756277 1070168480 /nfs/dbraw/zinc/16/84/80/1070168480.db2.gz ANVZKEFEHIAJQZ-FPOVZHCZSA-N 1 2 452.498 3.650 20 0 JHADLO CCOCc1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314353060 1070173186 /nfs/dbraw/zinc/17/31/86/1070173186.db2.gz GAYOWYJBFCVGPN-AVRDEDQJSA-N 1 2 451.587 3.729 20 0 JHADLO CCOCc1nnc(N2CCC=C(Br)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314360767 1070184482 /nfs/dbraw/zinc/18/44/82/1070184482.db2.gz ONTXCVXWYSKUQZ-KRWDZBQOSA-N 1 2 470.362 3.885 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001307816820 1070197784 /nfs/dbraw/zinc/19/77/84/1070197784.db2.gz FZVNWKIJHRDHEE-HXUWFJFHSA-N 1 2 450.539 3.621 20 0 JHADLO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001307816820 1070197789 /nfs/dbraw/zinc/19/77/89/1070197789.db2.gz FZVNWKIJHRDHEE-HXUWFJFHSA-N 1 2 450.539 3.621 20 0 JHADLO CCN1C[C@@H](CNC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1=O ZINC001312967793 1070203827 /nfs/dbraw/zinc/20/38/27/1070203827.db2.gz XPBXEDOBUPFAIJ-NTKDMRAZSA-N 1 2 455.002 3.625 20 0 JHADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001314384217 1070228305 /nfs/dbraw/zinc/22/83/05/1070228305.db2.gz ASXDEXHOGBEBFT-FQEVSTJZSA-N 1 2 495.628 3.553 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001313068282 1070239902 /nfs/dbraw/zinc/23/99/02/1070239902.db2.gz VZNLEMCIBLFYGT-NRSPTQNISA-N 1 2 455.603 3.896 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCc2sc(Br)cc2C1 ZINC001313093770 1070248841 /nfs/dbraw/zinc/24/88/41/1070248841.db2.gz OINCLJRJDWTRER-UHFFFAOYSA-N 1 2 453.431 3.727 20 0 JHADLO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC001307968646 1070263522 /nfs/dbraw/zinc/26/35/22/1070263522.db2.gz XAQGWUPTRDDZBL-UHFFFAOYSA-N 1 2 457.571 3.878 20 0 JHADLO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC001307968646 1070263505 /nfs/dbraw/zinc/26/35/05/1070263505.db2.gz XAQGWUPTRDDZBL-UHFFFAOYSA-N 1 2 457.571 3.878 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989626 1070272103 /nfs/dbraw/zinc/27/21/03/1070272103.db2.gz GROABNJQIORLHN-REWPJTCUSA-N 1 2 457.521 3.781 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989626 1070272114 /nfs/dbraw/zinc/27/21/14/1070272114.db2.gz GROABNJQIORLHN-REWPJTCUSA-N 1 2 457.521 3.781 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)C2)c1 ZINC001313162951 1070274256 /nfs/dbraw/zinc/27/42/56/1070274256.db2.gz HYACWBGSKKGYJL-AKIFATBCSA-N 1 2 474.646 3.531 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)C2)c1 ZINC001313162951 1070274272 /nfs/dbraw/zinc/27/42/72/1070274272.db2.gz HYACWBGSKKGYJL-AKIFATBCSA-N 1 2 474.646 3.531 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC001313164232 1070275247 /nfs/dbraw/zinc/27/52/47/1070275247.db2.gz XQPYIKUXJVMGKM-KRWDZBQOSA-N 1 2 458.628 3.991 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313165123 1070276284 /nfs/dbraw/zinc/27/62/84/1070276284.db2.gz QUGJONJSLQKYHI-PKTZIBPZSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313165123 1070276301 /nfs/dbraw/zinc/27/63/01/1070276301.db2.gz QUGJONJSLQKYHI-PKTZIBPZSA-N 1 2 459.631 3.882 20 0 JHADLO COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)o1 ZINC001308008641 1070277594 /nfs/dbraw/zinc/27/75/94/1070277594.db2.gz ILJIKRURMSSXKZ-GOSISDBHSA-N 1 2 456.543 3.558 20 0 JHADLO COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)o1 ZINC001308008641 1070277606 /nfs/dbraw/zinc/27/76/06/1070277606.db2.gz ILJIKRURMSSXKZ-GOSISDBHSA-N 1 2 456.543 3.558 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)cc1 ZINC001313169309 1070279250 /nfs/dbraw/zinc/27/92/50/1070279250.db2.gz UVXCBTIKCBBFBW-OAQYLSRUSA-N 1 2 458.400 3.947 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)cc1 ZINC001313169309 1070279261 /nfs/dbraw/zinc/27/92/61/1070279261.db2.gz UVXCBTIKCBBFBW-OAQYLSRUSA-N 1 2 458.400 3.947 20 0 JHADLO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@H+]2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC001308014441 1070280789 /nfs/dbraw/zinc/28/07/89/1070280789.db2.gz GFQFYPJMEYQFGJ-HHHXNRCGSA-N 1 2 451.586 3.687 20 0 JHADLO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC001308014441 1070280796 /nfs/dbraw/zinc/28/07/96/1070280796.db2.gz GFQFYPJMEYQFGJ-HHHXNRCGSA-N 1 2 451.586 3.687 20 0 JHADLO COc1ccc([C@@H]2C[N@H+](CCCS(=O)(=O)C(C)(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013975 1070280815 /nfs/dbraw/zinc/28/08/15/1070280815.db2.gz HGLZFZKQMFCLPU-VQTJNVASSA-N 1 2 454.633 3.591 20 0 JHADLO COc1ccc([C@@H]2C[N@@H+](CCCS(=O)(=O)C(C)(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013975 1070280822 /nfs/dbraw/zinc/28/08/22/1070280822.db2.gz HGLZFZKQMFCLPU-VQTJNVASSA-N 1 2 454.633 3.591 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314421098 1070293555 /nfs/dbraw/zinc/29/35/55/1070293555.db2.gz OUFVKGVHPYKBGK-CQOQZXRMSA-N 1 2 455.647 3.794 20 0 JHADLO CCOc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC001308051949 1070294278 /nfs/dbraw/zinc/29/42/78/1070294278.db2.gz ZSWDUEIRFWNFIA-GFCCVEGCSA-N 1 2 451.449 3.678 20 0 JHADLO CCOc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC001308051949 1070294291 /nfs/dbraw/zinc/29/42/91/1070294291.db2.gz ZSWDUEIRFWNFIA-GFCCVEGCSA-N 1 2 451.449 3.678 20 0 JHADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC001308068314 1070301986 /nfs/dbraw/zinc/30/19/86/1070301986.db2.gz VFLGERXKZDHQOT-ZWKOTPCHSA-N 1 2 455.393 3.875 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314423962 1070299767 /nfs/dbraw/zinc/29/97/67/1070299767.db2.gz XFMRMMVAXLSDPY-PWRODBHTSA-N 1 2 475.609 3.531 20 0 JHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCN(c2ccc(F)cc2F)CC1 ZINC001313247161 1070304185 /nfs/dbraw/zinc/30/41/85/1070304185.db2.gz LWKBFIFCCKFSCF-UHFFFAOYSA-N 1 2 451.521 3.898 20 0 JHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NCC(=O)N1CCCCc2ccccc21 ZINC001313247816 1070304582 /nfs/dbraw/zinc/30/45/82/1070304582.db2.gz WPURTYYSXAKZBH-UHFFFAOYSA-N 1 2 457.578 3.757 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001308111770 1070316851 /nfs/dbraw/zinc/31/68/51/1070316851.db2.gz WPUXAOGYKLDXNX-JPYJTQIMSA-N 1 2 452.617 3.628 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001308111770 1070316871 /nfs/dbraw/zinc/31/68/71/1070316871.db2.gz WPUXAOGYKLDXNX-JPYJTQIMSA-N 1 2 452.617 3.628 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001308123771 1070321470 /nfs/dbraw/zinc/32/14/70/1070321470.db2.gz DQKWXJGMOBQGGX-AEFFLSMTSA-N 1 2 455.607 3.743 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001308123771 1070321488 /nfs/dbraw/zinc/32/14/88/1070321488.db2.gz DQKWXJGMOBQGGX-AEFFLSMTSA-N 1 2 455.607 3.743 20 0 JHADLO CCOc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001308392499 1070367613 /nfs/dbraw/zinc/36/76/13/1070367613.db2.gz PRXVRJJNUGPUID-OTWHNJEPSA-N 1 2 456.587 3.562 20 0 JHADLO CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314479053 1070390339 /nfs/dbraw/zinc/39/03/39/1070390339.db2.gz ORJRAHBFMWFPRQ-UHFFFAOYSA-N 1 2 458.513 3.607 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566507 1070391202 /nfs/dbraw/zinc/39/12/02/1070391202.db2.gz CVESGVXLMIBILI-ZWKOTPCHSA-N 1 2 453.530 3.963 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566507 1070391219 /nfs/dbraw/zinc/39/12/19/1070391219.db2.gz CVESGVXLMIBILI-ZWKOTPCHSA-N 1 2 453.530 3.963 20 0 JHADLO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC001308649832 1070409815 /nfs/dbraw/zinc/40/98/15/1070409815.db2.gz ZFMCMDVOYDFGEB-OAHLLOKOSA-N 1 2 451.350 3.892 20 0 JHADLO O=S(=O)(C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Br)CC1)N1CCCC1 ZINC001308717889 1070425176 /nfs/dbraw/zinc/42/51/76/1070425176.db2.gz NKTGIKBNECMVMT-UHFFFAOYSA-N 1 2 455.340 3.858 20 0 JHADLO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001314499064 1070426378 /nfs/dbraw/zinc/42/63/78/1070426378.db2.gz LGQBWARRIIUVRN-JOCHJYFZSA-N 1 2 461.054 3.660 20 0 JHADLO CCOCCN1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001314499064 1070426385 /nfs/dbraw/zinc/42/63/85/1070426385.db2.gz LGQBWARRIIUVRN-JOCHJYFZSA-N 1 2 461.054 3.660 20 0 JHADLO COC(=O)c1c(C[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)snc1OC ZINC001308859279 1070450014 /nfs/dbraw/zinc/45/00/14/1070450014.db2.gz LEDVKMMVKBDFHI-INIZCTEOSA-N 1 2 453.605 3.797 20 0 JHADLO Cc1ccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001308873276 1070452390 /nfs/dbraw/zinc/45/23/90/1070452390.db2.gz KVGPNIIZPJPLOS-OAQYLSRUSA-N 1 2 454.619 3.789 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314512560 1070475380 /nfs/dbraw/zinc/47/53/80/1070475380.db2.gz JNYKGCZUVJLKGR-QAPCUYQASA-N 1 2 497.090 3.617 20 0 JHADLO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC001309029141 1070495275 /nfs/dbraw/zinc/49/52/75/1070495275.db2.gz WRGMZAMSAVRBIN-LJQANCHMSA-N 1 2 454.951 3.771 20 0 JHADLO CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001314562732 1070564491 /nfs/dbraw/zinc/56/44/91/1070564491.db2.gz DKTMRXIOFKJDMQ-FPYOTAMTSA-N 1 2 471.627 3.507 20 0 JHADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(Br)c(C)c3)CC2)oc1C ZINC001309154922 1070572677 /nfs/dbraw/zinc/57/26/77/1070572677.db2.gz YFIUKXUXXTWGPS-UHFFFAOYSA-N 1 2 456.406 3.553 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001313527310 1070604494 /nfs/dbraw/zinc/60/44/94/1070604494.db2.gz UTLMAMJJWWHVIB-WOJBJXKFSA-N 1 2 470.666 3.862 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001313527310 1070604497 /nfs/dbraw/zinc/60/44/97/1070604497.db2.gz UTLMAMJJWWHVIB-WOJBJXKFSA-N 1 2 470.666 3.862 20 0 JHADLO CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313566218 1070681304 /nfs/dbraw/zinc/68/13/04/1070681304.db2.gz NTYZVACJZXADIS-XZOQPEGZSA-N 1 2 498.672 3.922 20 0 JHADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC[N@@H+]1CCOC ZINC001309326497 1070700512 /nfs/dbraw/zinc/70/05/12/1070700512.db2.gz PXGGJSVIGLMQNS-AWEZNQCLSA-N 1 2 453.830 3.532 20 0 JHADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC[N@H+]1CCOC ZINC001309326497 1070700523 /nfs/dbraw/zinc/70/05/23/1070700523.db2.gz PXGGJSVIGLMQNS-AWEZNQCLSA-N 1 2 453.830 3.532 20 0 JHADLO COc1cc(CS(=O)(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)sn1 ZINC001309344059 1070711719 /nfs/dbraw/zinc/71/17/19/1070711719.db2.gz NGPWHYNQHAKNCB-UHFFFAOYSA-N 1 2 450.413 3.543 20 0 JHADLO CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)[nH+]c1)C1CCCC1 ZINC001313618521 1070743203 /nfs/dbraw/zinc/74/32/03/1070743203.db2.gz UDCCGJNYXFHEEN-UHFFFAOYSA-N 1 2 453.616 3.548 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2cccc(C)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313633045 1070764016 /nfs/dbraw/zinc/76/40/16/1070764016.db2.gz MEAWZQNGZVHKDN-RUZDIDTESA-N 1 2 473.687 3.856 20 0 JHADLO CCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313634050 1070764932 /nfs/dbraw/zinc/76/49/32/1070764932.db2.gz LIAFMAZAQAIEKJ-PMACEKPBSA-N 1 2 464.655 3.553 20 0 JHADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313635429 1070770216 /nfs/dbraw/zinc/77/02/16/1070770216.db2.gz NHJOWTDAUVCAED-URXFXBBRSA-N 1 2 455.647 3.600 20 0 JHADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC001309447489 1070776874 /nfs/dbraw/zinc/77/68/74/1070776874.db2.gz YZFDOJYGZGNQIA-UHFFFAOYSA-N 1 2 454.955 3.539 20 0 JHADLO CN(C)c1ccc(Cn2c(Nc3cnn(C)c3)nnc2-c2cc(F)ccc2Br)c[nH+]1 ZINC001314659052 1070780550 /nfs/dbraw/zinc/78/05/50/1070780550.db2.gz QTMOELKFYLLYER-UHFFFAOYSA-N 1 2 471.338 3.833 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CC3CCCC3)n1CCCOC(F)(F)F)C2 ZINC001314663555 1070792473 /nfs/dbraw/zinc/79/24/73/1070792473.db2.gz GVSAOQGZGVISKL-UHFFFAOYSA-N 1 2 452.525 3.961 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CC=CCC2)c[nH+]1 ZINC001314661714 1070786985 /nfs/dbraw/zinc/78/69/85/1070786985.db2.gz XKQJKYHTIGXXIJ-IBGZPJMESA-N 1 2 480.638 3.650 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314661896 1070787689 /nfs/dbraw/zinc/78/76/89/1070787689.db2.gz UOPYGMICGRKAFU-IBGZPJMESA-N 1 2 471.650 3.870 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CNC(=O)c3cccs3)n1CCCC(F)(F)F)C2 ZINC001314664418 1070794787 /nfs/dbraw/zinc/79/47/87/1070794787.db2.gz SUVFRBLMROTVFT-UHFFFAOYSA-N 1 2 493.559 3.636 20 0 JHADLO O=S(=O)(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(Br)ccc1F ZINC001309485965 1070800608 /nfs/dbraw/zinc/80/06/08/1070800608.db2.gz LMUUIXVHNVCSOF-KRWDZBQOSA-N 1 2 453.333 3.991 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001313648128 1070815137 /nfs/dbraw/zinc/81/51/37/1070815137.db2.gz LNRWBUPEZTXIEZ-QFIPXVFZSA-N 1 2 452.647 3.762 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001313655070 1070842993 /nfs/dbraw/zinc/84/29/93/1070842993.db2.gz WDFYXQHOFJAOSC-FQEVSTJZSA-N 1 2 491.631 3.741 20 0 JHADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1F ZINC001309557553 1070855300 /nfs/dbraw/zinc/85/53/00/1070855300.db2.gz HBXUMUIZMWNQRV-LJQANCHMSA-N 1 2 454.539 3.531 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(CC2CCCC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314708370 1070881625 /nfs/dbraw/zinc/88/16/25/1070881625.db2.gz FPKNNIRICLZJLH-HXUWFJFHSA-N 1 2 476.616 3.943 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001309642489 1070897449 /nfs/dbraw/zinc/89/74/49/1070897449.db2.gz WTPUCKIMHPIRTG-IKGGRYGDSA-N 1 2 450.988 3.783 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001309642489 1070897466 /nfs/dbraw/zinc/89/74/66/1070897466.db2.gz WTPUCKIMHPIRTG-IKGGRYGDSA-N 1 2 450.988 3.783 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@@H]2CCOC2)c[nH+]1 ZINC001313673279 1070906339 /nfs/dbraw/zinc/90/63/39/1070906339.db2.gz LAFOURYKALJSDA-FQEVSTJZSA-N 1 2 450.587 3.716 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313675795 1070918952 /nfs/dbraw/zinc/91/89/52/1070918952.db2.gz QNWXYXLGHVXUAH-RTBURBONSA-N 1 2 465.664 3.655 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2cccs2)c[nH+]1 ZINC001313674411 1070911830 /nfs/dbraw/zinc/91/18/30/1070911830.db2.gz JCAVFKNYIRYXEP-QGZVFWFLSA-N 1 2 455.632 3.965 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(F)cc(F)c2)c[nH+]1 ZINC001313674443 1070912124 /nfs/dbraw/zinc/91/21/24/1070912124.db2.gz JMHAMVINUCINHC-UHFFFAOYSA-N 1 2 471.556 3.620 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(NC(=O)C(C)C)CC2)c[nH+]1 ZINC001313678148 1070928470 /nfs/dbraw/zinc/92/84/70/1070928470.db2.gz BAAUFZJQVOKUSB-UHFFFAOYSA-N 1 2 490.656 3.679 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccccc2)c[nH+]1 ZINC001313678548 1070930018 /nfs/dbraw/zinc/93/00/18/1070930018.db2.gz CRIOETHWRGFHCT-DENIHFKCSA-N 1 2 482.654 3.667 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)c[nH+]1 ZINC001313680681 1070939475 /nfs/dbraw/zinc/93/94/75/1070939475.db2.gz NJLYAOZRLXNHAU-GOSISDBHSA-N 1 2 495.653 3.585 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)c2ccc(C)cc2)c[nH+]1 ZINC001313679364 1070935736 /nfs/dbraw/zinc/93/57/36/1070935736.db2.gz JFALWXVLJFRCQS-HXUWFJFHSA-N 1 2 468.627 3.546 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCO[C@@](C)(CC)C3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313680208 1070937890 /nfs/dbraw/zinc/93/78/90/1070937890.db2.gz XOQWKRHYYPBFCK-UIOOFZCWSA-N 1 2 486.661 3.614 20 0 JHADLO CN(CC1CC(F)C1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314782542 1071058059 /nfs/dbraw/zinc/05/80/59/1071058059.db2.gz CTNMVCOYJKMZTP-FCULAJGNSA-N 1 2 451.537 3.938 20 0 JHADLO CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1c[nH+]ccc1OC ZINC001313736851 1071059065 /nfs/dbraw/zinc/05/90/65/1071059065.db2.gz XSOJGNVGSKWWOW-UHFFFAOYSA-N 1 2 480.569 3.887 20 0 JHADLO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001310022697 1071067264 /nfs/dbraw/zinc/06/72/64/1071067264.db2.gz JWKGYCQDPLNVIW-QFIPXVFZSA-N 1 2 455.584 3.867 20 0 JHADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001310035339 1071074833 /nfs/dbraw/zinc/07/48/33/1071074833.db2.gz YCYMMSYRLHPHRL-RXVVDRJESA-N 1 2 457.644 3.976 20 0 JHADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001310035339 1071074847 /nfs/dbraw/zinc/07/48/47/1071074847.db2.gz YCYMMSYRLHPHRL-RXVVDRJESA-N 1 2 457.644 3.976 20 0 JHADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)cc2)C1 ZINC001310044038 1071080560 /nfs/dbraw/zinc/08/05/60/1071080560.db2.gz XLIPGUQLHFFHOL-PMAPCBKXSA-N 1 2 456.612 3.661 20 0 JHADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)cc2)C1 ZINC001310044038 1071080574 /nfs/dbraw/zinc/08/05/74/1071080574.db2.gz XLIPGUQLHFFHOL-PMAPCBKXSA-N 1 2 456.612 3.661 20 0 JHADLO CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001313752620 1071089301 /nfs/dbraw/zinc/08/93/01/1071089301.db2.gz OFZMOKOHQDUTGS-GOSISDBHSA-N 1 2 459.591 3.805 20 0 JHADLO CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001313752620 1071089310 /nfs/dbraw/zinc/08/93/10/1071089310.db2.gz OFZMOKOHQDUTGS-GOSISDBHSA-N 1 2 459.591 3.805 20 0 JHADLO CN(C[C@@H]1CCCOC1)c1nnc(Cc2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314809454 1071099905 /nfs/dbraw/zinc/09/99/05/1071099905.db2.gz XLVRVUJUSABSBE-UGKGYDQZSA-N 1 2 470.568 3.708 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313773669 1071127822 /nfs/dbraw/zinc/12/78/22/1071127822.db2.gz YDLKDQNFPNJWAL-DHIUTWEWSA-N 1 2 455.647 3.963 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CCC2)n1CCC(=O)NC(C)(C)C ZINC001313779213 1071141103 /nfs/dbraw/zinc/14/11/03/1071141103.db2.gz MUJHTQWVNZHOGJ-UHFFFAOYSA-N 1 2 467.662 3.988 20 0 JHADLO COc1cc([C@@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC001310137998 1071146379 /nfs/dbraw/zinc/14/63/79/1071146379.db2.gz AWCAZMWNWRCTDS-CEXWTWQISA-N 1 2 457.571 3.558 20 0 JHADLO COc1cc([C@@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC001310137998 1071146384 /nfs/dbraw/zinc/14/63/84/1071146384.db2.gz AWCAZMWNWRCTDS-CEXWTWQISA-N 1 2 457.571 3.558 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001313781540 1071146333 /nfs/dbraw/zinc/14/63/33/1071146333.db2.gz RDPXFJHGYMGTOM-KNQAVFIVSA-N 1 2 470.568 3.850 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001310140453 1071148564 /nfs/dbraw/zinc/14/85/64/1071148564.db2.gz SUQHXEJSNDJRDP-CUVVAGTFSA-N 1 2 451.567 3.644 20 0 JHADLO CCN(CCn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)C(=O)OC(C)(C)C ZINC001313810930 1071243798 /nfs/dbraw/zinc/24/37/98/1071243798.db2.gz PDROIZZHBOOQBH-UHFFFAOYSA-N 1 2 494.644 3.564 20 0 JHADLO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)CCC(F)(F)F ZINC001313813587 1071255505 /nfs/dbraw/zinc/25/55/05/1071255505.db2.gz FUKMYJIPROIZGP-HKUYNNGSSA-N 1 2 493.640 3.860 20 0 JHADLO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)CCC(F)(F)F ZINC001313813587 1071255510 /nfs/dbraw/zinc/25/55/10/1071255510.db2.gz FUKMYJIPROIZGP-HKUYNNGSSA-N 1 2 493.640 3.860 20 0 JHADLO C[C@H](c1cccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1)[NH+]1CCOCC1 ZINC001310290181 1071274066 /nfs/dbraw/zinc/27/40/66/1071274066.db2.gz IZOPHCBHYCJIIU-KSCDAYEDSA-N 1 2 458.603 3.989 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001314869921 1071280071 /nfs/dbraw/zinc/28/00/71/1071280071.db2.gz IVGOWUVEEXXUIO-UHFFFAOYSA-N 1 2 493.052 3.670 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001314870691 1071281826 /nfs/dbraw/zinc/28/18/26/1071281826.db2.gz GVQONYNCBUMGMY-HXUWFJFHSA-N 1 2 480.510 3.673 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001314874409 1071291408 /nfs/dbraw/zinc/29/14/08/1071291408.db2.gz SFVMHQIADUUJQX-UHFFFAOYSA-N 1 2 486.661 3.773 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CC1 ZINC001314873515 1071290664 /nfs/dbraw/zinc/29/06/64/1071290664.db2.gz GLPKVVBDFSWTBR-UHFFFAOYSA-N 1 2 454.402 3.732 20 0 JHADLO CN(OC1CCCC1)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314891780 1071321460 /nfs/dbraw/zinc/32/14/60/1071321460.db2.gz ATOFBXCSSYIGDN-UHFFFAOYSA-N 1 2 464.010 3.932 20 0 JHADLO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001310379227 1071353306 /nfs/dbraw/zinc/35/33/06/1071353306.db2.gz JVUNNHIWTAJIEH-MRXNPFEDSA-N 1 2 459.597 3.586 20 0 JHADLO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001310379227 1071353311 /nfs/dbraw/zinc/35/33/11/1071353311.db2.gz JVUNNHIWTAJIEH-MRXNPFEDSA-N 1 2 459.597 3.586 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001313872964 1071422875 /nfs/dbraw/zinc/42/28/75/1071422875.db2.gz BNNIBMJPSYTZCM-LEWJYISDSA-N 1 2 491.702 3.643 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001313872964 1071422880 /nfs/dbraw/zinc/42/28/80/1071422880.db2.gz BNNIBMJPSYTZCM-LEWJYISDSA-N 1 2 491.702 3.643 20 0 JHADLO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001315032819 1071563671 /nfs/dbraw/zinc/56/36/71/1071563671.db2.gz VYPCYERJSCPGHO-NRFANRHFSA-N 1 2 491.640 3.651 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926166 1071575362 /nfs/dbraw/zinc/57/53/62/1071575362.db2.gz ALIOSHZPZDIGAX-OAQYLSRUSA-N 1 2 476.616 3.735 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926524 1071577009 /nfs/dbraw/zinc/57/70/09/1071577009.db2.gz DGYASEVZZROVHD-GJZUVCINSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927218 1071579282 /nfs/dbraw/zinc/57/92/82/1071579282.db2.gz IQHVHLNHQXPJKB-HSZRJFAPSA-N 1 2 484.689 3.585 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927625 1071581349 /nfs/dbraw/zinc/58/13/49/1071581349.db2.gz MNZJTTHZVXLJLD-OAQYLSRUSA-N 1 2 495.672 3.805 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927623 1071580873 /nfs/dbraw/zinc/58/08/73/1071580873.db2.gz MNZJTTHZVXLJLD-NRFANRHFSA-N 1 2 495.672 3.805 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928283 1071583322 /nfs/dbraw/zinc/58/33/22/1071583322.db2.gz TYSXSBDMKVDHQW-YIXXDRMTSA-N 1 2 484.689 3.505 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313929073 1071585834 /nfs/dbraw/zinc/58/58/34/1071585834.db2.gz XHKXNWRBBUYOMJ-FQEVSTJZSA-N 1 2 458.626 3.791 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001313932680 1071596227 /nfs/dbraw/zinc/59/62/27/1071596227.db2.gz LSCUKOCPHADBIO-VQTJNVASSA-N 1 2 473.687 3.598 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001313932680 1071596241 /nfs/dbraw/zinc/59/62/41/1071596241.db2.gz LSCUKOCPHADBIO-VQTJNVASSA-N 1 2 473.687 3.598 20 0 JHADLO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCc3cccc(C)[nH+]3)CC2)C1=O ZINC001313942927 1071621410 /nfs/dbraw/zinc/62/14/10/1071621410.db2.gz NVHSXQXPFQJNDJ-UHFFFAOYSA-N 1 2 453.635 3.638 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001314008411 1071744855 /nfs/dbraw/zinc/74/48/55/1071744855.db2.gz LTZJIZJVYHWDRK-ZJSXRUAMSA-N 1 2 498.672 3.922 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001314019223 1071767934 /nfs/dbraw/zinc/76/79/34/1071767934.db2.gz FSSXLCUIFWPZIG-UHFFFAOYSA-N 1 2 477.613 3.822 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001314018189 1071764671 /nfs/dbraw/zinc/76/46/71/1071764671.db2.gz LYQDFUSZKVBTSB-UHFFFAOYSA-N 1 2 492.624 3.962 20 0 JHADLO CCOC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314047754 1071866100 /nfs/dbraw/zinc/86/61/00/1071866100.db2.gz WCUZCTWJSUKFIK-UHFFFAOYSA-N 1 2 450.587 3.793 20 0 JHADLO CCOC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314056394 1071884694 /nfs/dbraw/zinc/88/46/94/1071884694.db2.gz QISKFPZCCULGGT-UHFFFAOYSA-N 1 2 480.613 3.705 20 0 JHADLO CCO[C@]1(c2nnc(N(C)CC(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOC1 ZINC001314087639 1071961217 /nfs/dbraw/zinc/96/12/17/1071961217.db2.gz XOWLERFLRSPTJK-SFYKDHMMSA-N 1 2 465.639 3.697 20 0 JHADLO CCO[C@]1(c2nnc(N(C)CC(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOC1 ZINC001314087639 1071961227 /nfs/dbraw/zinc/96/12/27/1071961227.db2.gz XOWLERFLRSPTJK-SFYKDHMMSA-N 1 2 465.639 3.697 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001305924878 1068220247 /nfs/dbraw/zinc/22/02/47/1068220247.db2.gz IJFJPQFVYQSUHL-BJKOFHAPSA-N 1 2 455.647 3.727 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001305925823 1068221341 /nfs/dbraw/zinc/22/13/41/1068221341.db2.gz MWSPAZWSEDCMKE-ZJSXRUAMSA-N 1 2 455.647 3.871 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001305936292 1068238887 /nfs/dbraw/zinc/23/88/87/1068238887.db2.gz VLDJCRQYPOEVPS-FQEVSTJZSA-N 1 2 450.553 3.675 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001305984819 1068333515 /nfs/dbraw/zinc/33/35/15/1068333515.db2.gz BYCTUHKSDDCAOV-PGUFJCEWSA-N 1 2 496.681 3.688 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305991266 1068352755 /nfs/dbraw/zinc/35/27/55/1068352755.db2.gz XKGVYSNJXOJKQR-OFNKIYASSA-N 1 2 473.687 3.718 20 0 JHADLO CCc1nc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)cs1 ZINC001306023718 1068416949 /nfs/dbraw/zinc/41/69/49/1068416949.db2.gz GVDPKQLVTGTWKB-UHFFFAOYSA-N 1 2 455.632 3.511 20 0 JHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2C1 ZINC001306027299 1068423876 /nfs/dbraw/zinc/42/38/76/1068423876.db2.gz JCGXDFQQQRKHOZ-NQIIRXRSSA-N 1 2 456.562 3.690 20 0 JHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2C1 ZINC001306027299 1068423881 /nfs/dbraw/zinc/42/38/81/1068423881.db2.gz JCGXDFQQQRKHOZ-NQIIRXRSSA-N 1 2 456.562 3.690 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306263970 1068677137 /nfs/dbraw/zinc/67/71/37/1068677137.db2.gz ZXRUXNNTPRZFMR-GHTZIAJQSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001306263970 1068677142 /nfs/dbraw/zinc/67/71/42/1068677142.db2.gz ZXRUXNNTPRZFMR-GHTZIAJQSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306343197 1068778938 /nfs/dbraw/zinc/77/89/38/1068778938.db2.gz QTNORHCTBSOWAV-RTWAWAEBSA-N 1 2 458.626 3.649 20 0 JHADLO CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306383926 1068816389 /nfs/dbraw/zinc/81/63/89/1068816389.db2.gz SACVADVIOXSYAL-XZOQPEGZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001306455670 1068979207 /nfs/dbraw/zinc/97/92/07/1068979207.db2.gz QDWQMULQLBTNIM-NHCUHLMSSA-N 1 2 459.660 3.526 20 0 JHADLO CCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC001310546459 1069009288 /nfs/dbraw/zinc/00/92/88/1069009288.db2.gz BULWNXUAUIRTHT-HXUWFJFHSA-N 1 2 450.583 3.741 20 0 JHADLO CC/C=C/Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001306490788 1069029323 /nfs/dbraw/zinc/02/93/23/1069029323.db2.gz TZSNUSMAYDGLTK-VMPITWQZSA-N 1 2 468.627 3.919 20 0 JHADLO CC/C=C/Cn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306491641 1069030311 /nfs/dbraw/zinc/03/03/11/1069030311.db2.gz OWBVYZMRGBOBTN-GJCNFQEQSA-N 1 2 457.594 3.746 20 0 JHADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001310604148 1069046849 /nfs/dbraw/zinc/04/68/49/1069046849.db2.gz QHBGRDNOYZEHGC-TZIWHRDSSA-N 1 2 459.974 3.778 20 0 JHADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001310604148 1069046867 /nfs/dbraw/zinc/04/68/67/1069046867.db2.gz QHBGRDNOYZEHGC-TZIWHRDSSA-N 1 2 459.974 3.778 20 0 JHADLO COc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(I)c1 ZINC001310685576 1069110142 /nfs/dbraw/zinc/11/01/42/1069110142.db2.gz VMNIZXCPSYSZBW-CYBMUJFWSA-N 1 2 454.312 3.520 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001306518490 1069133184 /nfs/dbraw/zinc/13/31/84/1069133184.db2.gz NBDMNJFXUJGICP-XLIONFOSSA-N 1 2 462.589 3.554 20 0 JHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2nnc(-c3ccccc3OC)s2)CC1 ZINC001310769040 1069155390 /nfs/dbraw/zinc/15/53/90/1069155390.db2.gz AUVMJBZWNAQHDN-UHFFFAOYSA-N 1 2 453.568 3.880 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306527080 1069157292 /nfs/dbraw/zinc/15/72/92/1069157292.db2.gz CZVLEUWTWCXGGW-DHLKQENFSA-N 1 2 475.081 3.754 20 0 JHADLO COc1cc(I)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001310786672 1069162177 /nfs/dbraw/zinc/16/21/77/1069162177.db2.gz JORSGRTVJLVIHL-UHFFFAOYSA-N 1 2 457.337 3.711 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306533952 1069176779 /nfs/dbraw/zinc/17/67/79/1069176779.db2.gz XJNRDBJCPZEUSW-CPJSRVTESA-N 1 2 475.081 3.754 20 0 JHADLO CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2C1 ZINC001310819995 1069177346 /nfs/dbraw/zinc/17/73/46/1069177346.db2.gz GXMUWAJXSLLHFA-LJQANCHMSA-N 1 2 453.543 3.612 20 0 JHADLO CCOc1ccccc1[C@](N)(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC001306542130 1069191702 /nfs/dbraw/zinc/19/17/02/1069191702.db2.gz JIJVKRRIJDGORX-AOMKIAJQSA-N 1 2 451.489 3.834 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)NCCC(C)(F)F)CC1 ZINC001310846812 1069192520 /nfs/dbraw/zinc/19/25/20/1069192520.db2.gz UGCWIHQAUXYLGO-UHFFFAOYSA-N 1 2 456.534 3.785 20 0 JHADLO CCOC(=O)Cc1cnc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884885 1069208971 /nfs/dbraw/zinc/20/89/71/1069208971.db2.gz TXPHDRWSBJEBDI-HNNXBMFYSA-N 1 2 454.955 3.827 20 0 JHADLO CCOC(=O)Cc1cnc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884885 1069208978 /nfs/dbraw/zinc/20/89/78/1069208978.db2.gz TXPHDRWSBJEBDI-HNNXBMFYSA-N 1 2 454.955 3.827 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CC1 ZINC001310903783 1069216896 /nfs/dbraw/zinc/21/68/96/1069216896.db2.gz FZVLILHUWCUFBG-UHFFFAOYSA-N 1 2 450.605 3.508 20 0 JHADLO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306587968 1069255979 /nfs/dbraw/zinc/25/59/79/1069255979.db2.gz YZENHNHBDHFPPE-TZIWHRDSSA-N 1 2 455.651 3.507 20 0 JHADLO CC[C@H](C)c1ccc(-n2c3nnc(SCC[NH+]4CCOCC4)n3c3ccccc3c2=O)cc1 ZINC000012606807 195051951 /nfs/dbraw/zinc/05/19/51/195051951.db2.gz QWFXCBNGIDCNAC-SFHVURJKSA-N 1 2 463.607 3.971 20 0 JHADLO Cc1cc(Cl)nc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164416629 718889592 /nfs/dbraw/zinc/88/95/92/718889592.db2.gz FBAZZFLWHLYWEF-LBPRGKRZSA-N 1 2 458.694 3.971 20 0 JHADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc1Cl ZINC001164417256 718890916 /nfs/dbraw/zinc/89/09/16/718890916.db2.gz IQAPKPPWWWFJGD-CYBMUJFWSA-N 1 2 459.678 3.506 20 0 JHADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416969 718890921 /nfs/dbraw/zinc/89/09/21/718890921.db2.gz GQUDVOOPFZMXGG-LBPRGKRZSA-N 1 2 474.693 3.585 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c(OC)c1 ZINC001164658988 719351766 /nfs/dbraw/zinc/35/17/66/719351766.db2.gz ORXUHNUIFSBADS-UHFFFAOYSA-N 1 2 475.593 3.962 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c(OC)c1 ZINC001164658988 719351767 /nfs/dbraw/zinc/35/17/67/719351767.db2.gz ORXUHNUIFSBADS-UHFFFAOYSA-N 1 2 475.593 3.962 20 0 JHADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164664237 719356301 /nfs/dbraw/zinc/35/63/01/719356301.db2.gz MROBTLMHTIPOFM-UHFFFAOYSA-N 1 2 494.043 3.965 20 0 JHADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164664237 719356305 /nfs/dbraw/zinc/35/63/05/719356305.db2.gz MROBTLMHTIPOFM-UHFFFAOYSA-N 1 2 494.043 3.965 20 0 JHADLO CCOC[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2nn(CC3CC3)cc21 ZINC001164663998 719362612 /nfs/dbraw/zinc/36/26/12/719362612.db2.gz NIMXTOWEWLBNQW-QFIPXVFZSA-N 1 2 458.610 3.782 20 0 JHADLO CCOC[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2nn(CC3CC3)cc21 ZINC001164663998 719362614 /nfs/dbraw/zinc/36/26/14/719362614.db2.gz NIMXTOWEWLBNQW-QFIPXVFZSA-N 1 2 458.610 3.782 20 0 JHADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673175 719496439 /nfs/dbraw/zinc/49/64/39/719496439.db2.gz PEFDQJUWTDHGOB-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673175 719496445 /nfs/dbraw/zinc/49/64/45/719496445.db2.gz PEFDQJUWTDHGOB-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnnc(Cl)c3)CC2)cc1 ZINC001164696312 719829981 /nfs/dbraw/zinc/82/99/81/719829981.db2.gz HZAMTTAXFOXTER-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4cn(C)nc4[C@H](COC)C3)c2c1C ZINC001164696796 719832804 /nfs/dbraw/zinc/83/28/04/719832804.db2.gz UWVDHILYQNNNGI-SFHVURJKSA-N 1 2 498.653 3.646 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164707598 719869834 /nfs/dbraw/zinc/86/98/34/719869834.db2.gz UCRUYFNNAYKGFY-XMSQKQJNSA-N 1 2 480.943 3.575 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1 ZINC001164704314 719878786 /nfs/dbraw/zinc/87/87/86/719878786.db2.gz VFTGKMBBFMRWFR-MHECFPHRSA-N 1 2 474.989 3.717 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1 ZINC001164704313 719878866 /nfs/dbraw/zinc/87/88/66/719878866.db2.gz VFTGKMBBFMRWFR-KOSHJBKYSA-N 1 2 474.989 3.717 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164719319 720229073 /nfs/dbraw/zinc/22/90/73/720229073.db2.gz RGVBNWZGWGTVJO-QHCPKHFHSA-N 1 2 478.971 3.612 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164719319 720229080 /nfs/dbraw/zinc/22/90/80/720229080.db2.gz RGVBNWZGWGTVJO-QHCPKHFHSA-N 1 2 478.971 3.612 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C2)C1 ZINC001164722856 720299012 /nfs/dbraw/zinc/29/90/12/720299012.db2.gz SPWAWHNDEUOMDQ-HSZRJFAPSA-N 1 2 496.961 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C2)C1 ZINC001164722856 720299020 /nfs/dbraw/zinc/29/90/20/720299020.db2.gz SPWAWHNDEUOMDQ-HSZRJFAPSA-N 1 2 496.961 3.751 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164820921 720374049 /nfs/dbraw/zinc/37/40/49/720374049.db2.gz UQWDVVKHXGSARK-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164820921 720374059 /nfs/dbraw/zinc/37/40/59/720374059.db2.gz UQWDVVKHXGSARK-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821135 720376296 /nfs/dbraw/zinc/37/62/96/720376296.db2.gz WZRLWSJMBMZPQI-UHFFFAOYSA-N 1 2 477.634 3.739 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821135 720376304 /nfs/dbraw/zinc/37/63/04/720376304.db2.gz WZRLWSJMBMZPQI-UHFFFAOYSA-N 1 2 477.634 3.739 20 0 JHADLO Cc1ccc(-c2nc3ccccc3c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n2)cc1 ZINC001164828867 720460408 /nfs/dbraw/zinc/46/04/08/720460408.db2.gz BNQFWYMQPAGBHO-HSZRJFAPSA-N 1 2 498.631 3.791 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164829916 720466831 /nfs/dbraw/zinc/46/68/31/720466831.db2.gz HQBUIJPUQLUHSY-OAQYLSRUSA-N 1 2 498.027 3.500 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164860917 720895791 /nfs/dbraw/zinc/89/57/91/720895791.db2.gz WDXZSSYIUXLBDT-UHFFFAOYSA-N 1 2 475.714 3.799 20 0 JHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770680 721276681 /nfs/dbraw/zinc/27/66/81/721276681.db2.gz WSRSRYMQDIOZOT-OAHLLOKOSA-N 1 2 478.887 3.679 20 0 JHADLO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164874632 721316615 /nfs/dbraw/zinc/31/66/15/721316615.db2.gz CUYCMFPQHUCEGO-DEOSSOPVSA-N 1 2 453.590 3.535 20 0 JHADLO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164874632 721316619 /nfs/dbraw/zinc/31/66/19/721316619.db2.gz CUYCMFPQHUCEGO-DEOSSOPVSA-N 1 2 453.590 3.535 20 0 JHADLO O=C1NC[C@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164874633 721316772 /nfs/dbraw/zinc/31/67/72/721316772.db2.gz CUYCMFPQHUCEGO-XMMPIXPASA-N 1 2 453.590 3.535 20 0 JHADLO O=C1NC[C@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164874633 721316776 /nfs/dbraw/zinc/31/67/76/721316776.db2.gz CUYCMFPQHUCEGO-XMMPIXPASA-N 1 2 453.590 3.535 20 0 JHADLO c1ccc2c(c1)cccc2-c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914301 721796952 /nfs/dbraw/zinc/79/69/52/721796952.db2.gz LJWDBCWBCQHUAS-MUUNZHRXSA-N 1 2 467.573 3.800 20 0 JHADLO c1ccc2c(c1)cccc2-c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914301 721796955 /nfs/dbraw/zinc/79/69/55/721796955.db2.gz LJWDBCWBCQHUAS-MUUNZHRXSA-N 1 2 467.573 3.800 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914961 721797762 /nfs/dbraw/zinc/79/77/62/721797762.db2.gz SBJXHESWVHDWDH-SANMLTNESA-N 1 2 480.012 3.917 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914961 721797765 /nfs/dbraw/zinc/79/77/65/721797765.db2.gz SBJXHESWVHDWDH-SANMLTNESA-N 1 2 480.012 3.917 20 0 JHADLO COC(=O)C[C@H](c1cc[nH+]c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1)C1CC1 ZINC001164991451 722184822 /nfs/dbraw/zinc/18/48/22/722184822.db2.gz UKQRZDIBNYMUJT-VABKMULXSA-N 1 2 470.639 3.773 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008576 722273738 /nfs/dbraw/zinc/27/37/38/722273738.db2.gz LEBZDAQOIAWORV-BHAWFMJASA-N 1 2 498.631 3.833 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008576 722273741 /nfs/dbraw/zinc/27/37/41/722273741.db2.gz LEBZDAQOIAWORV-BHAWFMJASA-N 1 2 498.631 3.833 20 0 JHADLO Cc1cnc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC001311378754 1069352228 /nfs/dbraw/zinc/35/22/28/1069352228.db2.gz RBELRAKIAONLTO-QGZVFWFLSA-N 1 2 454.575 3.873 20 0 JHADLO CCCCCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001306657965 1069372797 /nfs/dbraw/zinc/37/27/97/1069372797.db2.gz LECGELOLHXZHQR-UHFFFAOYSA-N 1 2 467.662 3.933 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001311448604 1069383286 /nfs/dbraw/zinc/38/32/86/1069383286.db2.gz RHRVZPVOXKXKHI-KRWDZBQOSA-N 1 2 450.383 3.652 20 0 JHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001311491482 1069402878 /nfs/dbraw/zinc/40/28/78/1069402878.db2.gz YPYPOOLFDXKJDZ-IEBWSBKVSA-N 1 2 451.011 3.608 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306735128 1069499450 /nfs/dbraw/zinc/49/94/50/1069499450.db2.gz WMRPVANGJICUEH-UYAOXDASSA-N 1 2 454.619 3.909 20 0 JHADLO CCc1ccc(C[NH+]2CCN(C(=O)NCC3(c4ccc(OC)cc4)CCOCC3)CC2)s1 ZINC001311694424 1069507292 /nfs/dbraw/zinc/50/72/92/1069507292.db2.gz JDPIUHWCTOJVGU-UHFFFAOYSA-N 1 2 457.640 3.895 20 0 JHADLO Cc1ccc(CC2CCN(C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001311713735 1069515161 /nfs/dbraw/zinc/51/51/61/1069515161.db2.gz GHVGSJUQUSFDPG-UHFFFAOYSA-N 1 2 451.611 3.870 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC001311713619 1069515184 /nfs/dbraw/zinc/51/51/84/1069515184.db2.gz GPDNZKTZMDFCRV-FGZHOGPDSA-N 1 2 467.614 3.854 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723211 1069521762 /nfs/dbraw/zinc/52/17/62/1069521762.db2.gz LAHFOHKIOZNBFC-NDEPHWFRSA-N 1 2 456.634 3.956 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723211 1069521769 /nfs/dbraw/zinc/52/17/69/1069521769.db2.gz LAHFOHKIOZNBFC-NDEPHWFRSA-N 1 2 456.634 3.956 20 0 JHADLO O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311794593 1069548244 /nfs/dbraw/zinc/54/82/44/1069548244.db2.gz MNAANVMDYKAEGY-XZOQPEGZSA-N 1 2 453.974 3.651 20 0 JHADLO CCCCOc1ncccc1Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C ZINC001306756494 1069554593 /nfs/dbraw/zinc/55/45/93/1069554593.db2.gz ZVBJPVYXXQWTBM-UHFFFAOYSA-N 1 2 467.618 3.816 20 0 JHADLO CCCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306768555 1069568595 /nfs/dbraw/zinc/56/85/95/1069568595.db2.gz YKDREZUOZCLBDS-UHFFFAOYSA-N 1 2 477.432 3.895 20 0 JHADLO CCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306781332 1069579498 /nfs/dbraw/zinc/57/94/98/1069579498.db2.gz GHULFNMWMTVCBA-NRSPTQNISA-N 1 2 499.660 3.563 20 0 JHADLO CCCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306794336 1069600867 /nfs/dbraw/zinc/60/08/67/1069600867.db2.gz BMFMYFUCXOHCOV-HXUWFJFHSA-N 1 2 464.614 3.782 20 0 JHADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311969007 1069642522 /nfs/dbraw/zinc/64/25/22/1069642522.db2.gz KOAOENHCJYQCHS-KRWDZBQOSA-N 1 2 452.477 3.803 20 0 JHADLO O=C(Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1ccn(-c2cccc(Br)c2)n1 ZINC001306874947 1069669628 /nfs/dbraw/zinc/66/96/28/1069669628.db2.gz OJPVPEZWHQZCBL-UHFFFAOYSA-N 1 2 459.735 3.912 20 0 JHADLO CCOc1ccc(-c2nnc(N(C)Cc3cscn3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314168881 1069674346 /nfs/dbraw/zinc/67/43/46/1069674346.db2.gz QZIMUJQHUZDQEF-UHFFFAOYSA-N 1 2 466.567 3.897 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCC(COC)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314169689 1069677413 /nfs/dbraw/zinc/67/74/13/1069677413.db2.gz GQBRMITXSISVBU-UHFFFAOYSA-N 1 2 480.613 3.725 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC001314182780 1069729594 /nfs/dbraw/zinc/72/95/94/1069729594.db2.gz JUQSPSGXELOTHN-FQEVSTJZSA-N 1 2 465.602 3.534 20 0 JHADLO Cc1cc(N2CCN(C(=O)N[C@H](C)c3nc(-c4cccc(F)c4)no3)CC2)nc(C(C)C)[nH+]1 ZINC001312153928 1069752548 /nfs/dbraw/zinc/75/25/48/1069752548.db2.gz VEVVPBJBPHBREC-MRXNPFEDSA-N 1 2 453.522 3.690 20 0 JHADLO Cc1cccn2cc(CCNC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)[nH+]c12 ZINC001312156847 1069756324 /nfs/dbraw/zinc/75/63/24/1069756324.db2.gz ITXHHXNFTNCEIR-PBHICJAKSA-N 1 2 470.209 3.723 20 0 JHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1C ZINC001312166402 1069760703 /nfs/dbraw/zinc/76/07/03/1069760703.db2.gz MQSZBNCKONJUQJ-MRXNPFEDSA-N 1 2 450.461 3.673 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314203130 1069805966 /nfs/dbraw/zinc/80/59/66/1069805966.db2.gz SBZVQCACFHTNRO-RTWAWAEBSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314203130 1069805999 /nfs/dbraw/zinc/80/59/99/1069805999.db2.gz SBZVQCACFHTNRO-RTWAWAEBSA-N 1 2 457.619 3.918 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCc3csc(-c4ccccc4)n3)C2)cc1 ZINC001312266066 1069824120 /nfs/dbraw/zinc/82/41/20/1069824120.db2.gz NVNVVWLGFNZCAO-QHCPKHFHSA-N 1 2 450.608 3.861 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCc3csc(-c4ccccc4)n3)C2)cc1 ZINC001312266066 1069824144 /nfs/dbraw/zinc/82/41/44/1069824144.db2.gz NVNVVWLGFNZCAO-QHCPKHFHSA-N 1 2 450.608 3.861 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314222219 1069875433 /nfs/dbraw/zinc/87/54/33/1069875433.db2.gz ISMZOWDJRMWQRM-UHFFFAOYSA-N 1 2 482.673 3.828 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314222219 1069875451 /nfs/dbraw/zinc/87/54/51/1069875451.db2.gz ISMZOWDJRMWQRM-UHFFFAOYSA-N 1 2 482.673 3.828 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)CCO2)cc1 ZINC001312427554 1069930081 /nfs/dbraw/zinc/93/00/81/1069930081.db2.gz WSOZUYGZDQBTFA-YTFSRNRJSA-N 1 2 459.974 3.503 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)CCO2)cc1 ZINC001312427554 1069930088 /nfs/dbraw/zinc/93/00/88/1069930088.db2.gz WSOZUYGZDQBTFA-YTFSRNRJSA-N 1 2 459.974 3.503 20 0 JHADLO CC1(C)C[C@@H](CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCOCC2)C(C)(C)O1 ZINC001307293771 1069930215 /nfs/dbraw/zinc/93/02/15/1069930215.db2.gz SQLUVKMJCXGXRU-INIZCTEOSA-N 1 2 451.658 3.866 20 0 JHADLO CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)C1(C)C ZINC001314248308 1069969924 /nfs/dbraw/zinc/96/99/24/1069969924.db2.gz XIPVUTVZANFURT-NHCUHLMSSA-N 1 2 477.613 3.901 20 0 JHADLO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC2)c1OC ZINC001307412555 1069971691 /nfs/dbraw/zinc/97/16/91/1069971691.db2.gz GIECSCKLGNHUAC-HTAPYJJXSA-N 1 2 464.484 3.644 20 0 JHADLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC001307423642 1069976630 /nfs/dbraw/zinc/97/66/30/1069976630.db2.gz LHJFGMOVONECND-APWZRJJASA-N 1 2 456.368 3.644 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)[C@H](C)C2)cc1 ZINC001307449245 1069989416 /nfs/dbraw/zinc/98/94/16/1069989416.db2.gz BUQPLFGLYZOYBY-JLTOFOAXSA-N 1 2 451.336 3.619 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)[C@H](C)C2)cc1 ZINC001307449245 1069989426 /nfs/dbraw/zinc/98/94/26/1069989426.db2.gz BUQPLFGLYZOYBY-JLTOFOAXSA-N 1 2 451.336 3.619 20 0 JHADLO COC(=O)c1cncc(C[NH+]2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)c1 ZINC001307452342 1069993382 /nfs/dbraw/zinc/99/33/82/1069993382.db2.gz JVBGWIYSYPNGBC-UHFFFAOYSA-N 1 2 458.278 3.972 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312597813 1070037119 /nfs/dbraw/zinc/03/71/19/1070037119.db2.gz CSABJPFOJSBFMS-RVKKMQEKSA-N 1 2 457.402 3.700 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312597813 1070037136 /nfs/dbraw/zinc/03/71/36/1070037136.db2.gz CSABJPFOJSBFMS-RVKKMQEKSA-N 1 2 457.402 3.700 20 0 JHADLO CCO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314279543 1070040278 /nfs/dbraw/zinc/04/02/78/1070040278.db2.gz ZNOCCQTVMOTSLC-UGKGYDQZSA-N 1 2 470.568 3.850 20 0 JHADLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC001307558568 1070052216 /nfs/dbraw/zinc/05/22/16/1070052216.db2.gz FDOIBTBBGPKZEK-UHFFFAOYSA-N 1 2 459.472 3.723 20 0 JHADLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 ZINC001307588522 1070067420 /nfs/dbraw/zinc/06/74/20/1070067420.db2.gz LMARGOXDUJZBNA-UHFFFAOYSA-N 1 2 452.530 3.948 20 0 JHADLO CCOCc1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001314299215 1070082125 /nfs/dbraw/zinc/08/21/25/1070082125.db2.gz KLGHNGGTJIBPHG-CCOQBKANSA-N 1 2 471.671 3.562 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cscc1C ZINC001314304012 1070089839 /nfs/dbraw/zinc/08/98/39/1070089839.db2.gz LZBJHBLZLDGFPF-IBGZPJMESA-N 1 2 461.657 3.804 20 0 JHADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1sccc1C ZINC001314305663 1070093114 /nfs/dbraw/zinc/09/31/14/1070093114.db2.gz XYRBLQXTZBIOAU-GOSISDBHSA-N 1 2 461.657 3.804 20 0 JHADLO CCOCc1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314313904 1070099918 /nfs/dbraw/zinc/09/99/18/1070099918.db2.gz ZCYOWFXFLAVWRS-RCZVLFRGSA-N 1 2 464.614 3.928 20 0 JHADLO CC[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307649198 1070101822 /nfs/dbraw/zinc/10/18/22/1070101822.db2.gz GTOJDDFDNZLUMP-HZPDHXFCSA-N 1 2 453.605 3.715 20 0 JHADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307649198 1070101823 /nfs/dbraw/zinc/10/18/23/1070101823.db2.gz GTOJDDFDNZLUMP-HZPDHXFCSA-N 1 2 453.605 3.715 20 0 JHADLO CC[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307649197 1070101968 /nfs/dbraw/zinc/10/19/68/1070101968.db2.gz GTOJDDFDNZLUMP-HOTGVXAUSA-N 1 2 453.605 3.715 20 0 JHADLO CC[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307649197 1070101971 /nfs/dbraw/zinc/10/19/71/1070101971.db2.gz GTOJDDFDNZLUMP-HOTGVXAUSA-N 1 2 453.605 3.715 20 0 JHADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nn1 ZINC001307653456 1070104549 /nfs/dbraw/zinc/10/45/49/1070104549.db2.gz GZEINPAEYBKCEL-AWEZNQCLSA-N 1 2 453.396 3.715 20 0 JHADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nn1 ZINC001307653456 1070104552 /nfs/dbraw/zinc/10/45/52/1070104552.db2.gz GZEINPAEYBKCEL-AWEZNQCLSA-N 1 2 453.396 3.715 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314328554 1070117588 /nfs/dbraw/zinc/11/75/88/1070117588.db2.gz OPYOCOSUQQXQSU-HXUWFJFHSA-N 1 2 468.646 3.626 20 0 JHADLO C[C@@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC001312792463 1070122388 /nfs/dbraw/zinc/12/23/88/1070122388.db2.gz ATLHSYYFLHEQPW-OAQYLSRUSA-N 1 2 450.583 3.671 20 0 JHADLO C[C@@H]1CN(c2cccc(C[N@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)c2)S(=O)(=O)C1 ZINC001307727218 1070151968 /nfs/dbraw/zinc/15/19/68/1070151968.db2.gz PAQZKSHYINHTFT-CQSZACIVSA-N 1 2 456.395 3.850 20 0 JHADLO C[C@@H]1CN(c2cccc(C[N@@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)c2)S(=O)(=O)C1 ZINC001307727218 1070151978 /nfs/dbraw/zinc/15/19/78/1070151978.db2.gz PAQZKSHYINHTFT-CQSZACIVSA-N 1 2 456.395 3.850 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307727457 1070152143 /nfs/dbraw/zinc/15/21/43/1070152143.db2.gz UQNOEIRPXWIJFZ-QRWLVFNGSA-N 1 2 453.402 3.768 20 0 JHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001312851537 1070155888 /nfs/dbraw/zinc/15/58/88/1070155888.db2.gz VFJSHFKDLWUNRN-QHCPKHFHSA-N 1 2 454.546 3.625 20 0 JHADLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001307736943 1070158607 /nfs/dbraw/zinc/15/86/07/1070158607.db2.gz QULFEALLAJRAFO-FQEVSTJZSA-N 1 2 458.925 3.590 20 0 JHADLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001307736943 1070158618 /nfs/dbraw/zinc/15/86/18/1070158618.db2.gz QULFEALLAJRAFO-FQEVSTJZSA-N 1 2 458.925 3.590 20 0 JHADLO COC(=O)c1cnc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001312896476 1070170992 /nfs/dbraw/zinc/17/09/92/1070170992.db2.gz HODCVHORIKBJQA-CYBMUJFWSA-N 1 2 456.490 3.537 20 0 JHADLO CCOCc1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314353061 1070173118 /nfs/dbraw/zinc/17/31/18/1070173118.db2.gz GAYOWYJBFCVGPN-GCJKJVERSA-N 1 2 451.587 3.729 20 0 JHADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC001307800212 1070188024 /nfs/dbraw/zinc/18/80/24/1070188024.db2.gz TVGFYNRAWHWFII-QGZVFWFLSA-N 1 2 457.596 3.700 20 0 JHADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC001307800212 1070188033 /nfs/dbraw/zinc/18/80/33/1070188033.db2.gz TVGFYNRAWHWFII-QGZVFWFLSA-N 1 2 457.596 3.700 20 0 JHADLO COC(=O)c1ccccc1NC(=O)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001307831137 1070205027 /nfs/dbraw/zinc/20/50/27/1070205027.db2.gz SBIFUGAXMQINBI-UKILVPOCSA-N 1 2 461.537 3.809 20 0 JHADLO COC(=O)c1ccccc1NC(=O)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001307831137 1070205043 /nfs/dbraw/zinc/20/50/43/1070205043.db2.gz SBIFUGAXMQINBI-UKILVPOCSA-N 1 2 461.537 3.809 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001313001314 1070217983 /nfs/dbraw/zinc/21/79/83/1070217983.db2.gz XNNMYUQPNPEQPI-GOSISDBHSA-N 1 2 457.402 3.830 20 0 JHADLO CCOCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314377353 1070218830 /nfs/dbraw/zinc/21/88/30/1070218830.db2.gz RWHTXWHJJRBTTE-DHIUTWEWSA-N 1 2 473.687 3.918 20 0 JHADLO COc1ccc(F)c(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC001313050433 1070235438 /nfs/dbraw/zinc/23/54/38/1070235438.db2.gz NBFCMNYWYWWRDY-UHFFFAOYSA-N 1 2 451.296 3.798 20 0 JHADLO O=C(N[C@H]1C[N@@H+](CCc2nc(-c3ccccc3)no2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001307921441 1070243450 /nfs/dbraw/zinc/24/34/50/1070243450.db2.gz XHEXYWXLYXWCQO-OALUTQOASA-N 1 2 462.447 3.955 20 0 JHADLO O=C(N[C@H]1C[N@H+](CCc2nc(-c3ccccc3)no2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001307921441 1070243462 /nfs/dbraw/zinc/24/34/62/1070243462.db2.gz XHEXYWXLYXWCQO-OALUTQOASA-N 1 2 462.447 3.955 20 0 JHADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307939474 1070249970 /nfs/dbraw/zinc/24/99/70/1070249970.db2.gz PXWDEVUXEDBYOR-BBRMVZONSA-N 1 2 458.340 3.529 20 0 JHADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307939474 1070249979 /nfs/dbraw/zinc/24/99/79/1070249979.db2.gz PXWDEVUXEDBYOR-BBRMVZONSA-N 1 2 458.340 3.529 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001314395306 1070253268 /nfs/dbraw/zinc/25/32/68/1070253268.db2.gz BTDUTLLTBRBSHJ-QFIPXVFZSA-N 1 2 469.659 3.737 20 0 JHADLO CCCc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@H](O)c4ccnn4C)CC3)n2)cc1 ZINC001307952212 1070256177 /nfs/dbraw/zinc/25/61/77/1070256177.db2.gz PYEPCNNGGLWKKC-QHCPKHFHSA-N 1 2 453.612 3.880 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1ncc(CC)s1 ZINC001314399919 1070261420 /nfs/dbraw/zinc/26/14/20/1070261420.db2.gz INDYXJBNKQQMNV-UHFFFAOYSA-N 1 2 461.035 3.857 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001314400182 1070262081 /nfs/dbraw/zinc/26/20/81/1070262081.db2.gz QUDXOAANBGWISJ-REWPJTCUSA-N 1 2 462.038 3.851 20 0 JHADLO COc1cccc([C@@H](O)C2CC[NH+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001307978015 1070267234 /nfs/dbraw/zinc/26/72/34/1070267234.db2.gz LGSDYHDMXYHZGX-ZEQRLZLVSA-N 1 2 451.592 3.803 20 0 JHADLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001307984213 1070269855 /nfs/dbraw/zinc/26/98/55/1070269855.db2.gz YAQUQBJFAOGVLN-FQEVSTJZSA-N 1 2 451.398 3.591 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989617 1070272283 /nfs/dbraw/zinc/27/22/83/1070272283.db2.gz GROABNJQIORLHN-NFBKMPQASA-N 1 2 457.521 3.781 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989617 1070272295 /nfs/dbraw/zinc/27/22/95/1070272295.db2.gz GROABNJQIORLHN-NFBKMPQASA-N 1 2 457.521 3.781 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307994993 1070273970 /nfs/dbraw/zinc/27/39/70/1070273970.db2.gz AQLYJXNQELVUNI-HZPDHXFCSA-N 1 2 453.605 3.939 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307994993 1070273983 /nfs/dbraw/zinc/27/39/83/1070273983.db2.gz AQLYJXNQELVUNI-HZPDHXFCSA-N 1 2 453.605 3.939 20 0 JHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163008 1070274586 /nfs/dbraw/zinc/27/45/86/1070274586.db2.gz ILZXCJHJWADIKR-ATIYNZHBSA-N 1 2 459.631 3.739 20 0 JHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163008 1070274599 /nfs/dbraw/zinc/27/45/99/1070274599.db2.gz ILZXCJHJWADIKR-ATIYNZHBSA-N 1 2 459.631 3.739 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)C2)c1 ZINC001313164279 1070275074 /nfs/dbraw/zinc/27/50/74/1070275074.db2.gz OKKNTQYBVVMPIA-DQEYMECFSA-N 1 2 455.574 3.726 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)C2)c1 ZINC001313164279 1070275092 /nfs/dbraw/zinc/27/50/92/1070275092.db2.gz OKKNTQYBVVMPIA-DQEYMECFSA-N 1 2 455.574 3.726 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313164960 1070275932 /nfs/dbraw/zinc/27/59/32/1070275932.db2.gz QUGJONJSLQKYHI-DHIUTWEWSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313164960 1070275945 /nfs/dbraw/zinc/27/59/45/1070275945.db2.gz QUGJONJSLQKYHI-DHIUTWEWSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168155 1070277977 /nfs/dbraw/zinc/27/79/77/1070277977.db2.gz NLLZBUMWLCAMEN-UBFVSLLYSA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168155 1070277990 /nfs/dbraw/zinc/27/79/90/1070277990.db2.gz NLLZBUMWLCAMEN-UBFVSLLYSA-N 1 2 455.574 3.633 20 0 JHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001313207752 1070293030 /nfs/dbraw/zinc/29/30/30/1070293030.db2.gz QXMSFYTYWCTDQT-VQTJNVASSA-N 1 2 457.456 3.526 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314421097 1070293420 /nfs/dbraw/zinc/29/34/20/1070293420.db2.gz OUFVKGVHPYKBGK-AKFKNWHVSA-N 1 2 455.647 3.794 20 0 JHADLO Cc1cc(N2CCN(C(=O)NCCc3sccc3Br)CC2)nc(C(C)C)[nH+]1 ZINC001313212193 1070294418 /nfs/dbraw/zinc/29/44/18/1070294418.db2.gz VFNWUXGUGQQHHD-UHFFFAOYSA-N 1 2 452.422 3.807 20 0 JHADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H](C)C(=O)Nc1ccc(Br)cc1Br)CC2 ZINC001308056827 1070295714 /nfs/dbraw/zinc/29/57/14/1070295714.db2.gz PIINRGJHJXAUKE-POHZPAGDSA-N 1 2 474.193 3.956 20 0 JHADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C)C(=O)Nc1ccc(Br)cc1Br)CC2 ZINC001308056827 1070295726 /nfs/dbraw/zinc/29/57/26/1070295726.db2.gz PIINRGJHJXAUKE-POHZPAGDSA-N 1 2 474.193 3.956 20 0 JHADLO CC(C)c1ccnc(N2CCN(C(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)CC2)n1 ZINC001313247969 1070304835 /nfs/dbraw/zinc/30/48/35/1070304835.db2.gz XWZFSZSGCLMKFK-UHFFFAOYSA-N 1 2 459.598 3.533 20 0 JHADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC001308095019 1070309330 /nfs/dbraw/zinc/30/93/30/1070309330.db2.gz WFHCZXSRLWYJHO-GFCCVEGCSA-N 1 2 453.511 3.503 20 0 JHADLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)c1Cl ZINC001308125932 1070322655 /nfs/dbraw/zinc/32/26/55/1070322655.db2.gz ZSYFIGQVDQTMSX-UHFFFAOYSA-N 1 2 452.905 3.693 20 0 JHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC001308144271 1070328914 /nfs/dbraw/zinc/32/89/14/1070328914.db2.gz UMGSFKJLRORBDB-SJCJKPOMSA-N 1 2 458.727 3.903 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314439445 1070327452 /nfs/dbraw/zinc/32/74/52/1070327452.db2.gz CVZQUBVOZWTKCW-DENIHFKCSA-N 1 2 470.568 3.708 20 0 JHADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCCc4c(Br)cccc43)CC2)cc1 ZINC001308154362 1070330321 /nfs/dbraw/zinc/33/03/21/1070330321.db2.gz VTBHYIZYWAMYJW-UHFFFAOYSA-N 1 2 458.400 3.555 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314442104 1070332770 /nfs/dbraw/zinc/33/27/70/1070332770.db2.gz MRJCWPUTDYIDOL-SFTDATJTSA-N 1 2 499.660 3.722 20 0 JHADLO Cc1noc([C@@H](NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C(C)C)n1 ZINC001313437037 1070360671 /nfs/dbraw/zinc/36/06/71/1070360671.db2.gz NJQZTZLWJOSBCE-INIZCTEOSA-N 1 2 451.325 3.539 20 0 JHADLO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001308495411 1070382048 /nfs/dbraw/zinc/38/20/48/1070382048.db2.gz YKVGENLEXSZVNV-UHFFFAOYSA-N 1 2 456.955 3.717 20 0 JHADLO CC(C)(C)OC(=O)N1CC(n2cc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)nc3)nn2)C1 ZINC001308512905 1070383669 /nfs/dbraw/zinc/38/36/69/1070383669.db2.gz LBDNFYAHCLYBCU-UHFFFAOYSA-N 1 2 454.506 3.686 20 0 JHADLO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCN(CC(F)(F)F)[C@H](C)C3)cc2OC)o1 ZINC001308608115 1070400897 /nfs/dbraw/zinc/40/08/97/1070400897.db2.gz RMELZYGBPURQNR-OAHLLOKOSA-N 1 2 456.461 3.722 20 0 JHADLO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCN(CC(F)(F)F)[C@H](C)C3)cc2OC)o1 ZINC001308608115 1070400903 /nfs/dbraw/zinc/40/09/03/1070400903.db2.gz RMELZYGBPURQNR-OAHLLOKOSA-N 1 2 456.461 3.722 20 0 JHADLO CCOC(=O)c1nn(C)cc1CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001308642472 1070409176 /nfs/dbraw/zinc/40/91/76/1070409176.db2.gz CYEDSYMMVUGHBJ-UHFFFAOYSA-N 1 2 454.521 3.782 20 0 JHADLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)s1 ZINC001308689451 1070419162 /nfs/dbraw/zinc/41/91/62/1070419162.db2.gz IFZRDHKXAOAKJC-UHFFFAOYSA-N 1 2 455.193 3.672 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@H]1C ZINC001308696218 1070420286 /nfs/dbraw/zinc/42/02/86/1070420286.db2.gz NPHUWLDABXPOIY-SWLSCSKDSA-N 1 2 455.784 3.738 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@H]1C ZINC001308696218 1070420294 /nfs/dbraw/zinc/42/02/94/1070420294.db2.gz NPHUWLDABXPOIY-SWLSCSKDSA-N 1 2 455.784 3.738 20 0 JHADLO CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001314501975 1070436062 /nfs/dbraw/zinc/43/60/62/1070436062.db2.gz RTARFSHNWCLORS-IBGZPJMESA-N 1 2 456.566 3.581 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3sc(N4CCCC4)nc3Cl)CC2)C1 ZINC001308801556 1070439756 /nfs/dbraw/zinc/43/97/56/1070439756.db2.gz JYZICZFSWKDZMF-INIZCTEOSA-N 1 2 456.056 3.524 20 0 JHADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)cc1 ZINC001308886149 1070454426 /nfs/dbraw/zinc/45/44/26/1070454426.db2.gz MGFLACZFJHSIRR-UHFFFAOYSA-N 1 2 454.372 3.733 20 0 JHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cs1)c1ccc(C)c(C)c1 ZINC001308888274 1070454965 /nfs/dbraw/zinc/45/49/65/1070454965.db2.gz XYXVPGXLTHXVQJ-FGZHOGPDSA-N 1 2 476.668 3.927 20 0 JHADLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC001308894544 1070455957 /nfs/dbraw/zinc/45/59/57/1070455957.db2.gz HJJFXKHUSOTPEQ-UHFFFAOYSA-N 1 2 450.366 3.956 20 0 JHADLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC001308894544 1070455965 /nfs/dbraw/zinc/45/59/65/1070455965.db2.gz HJJFXKHUSOTPEQ-UHFFFAOYSA-N 1 2 450.366 3.956 20 0 JHADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1)c1ccccc1Cl ZINC001309014853 1070485547 /nfs/dbraw/zinc/48/55/47/1070485547.db2.gz ZIXYZMDVHRXCDD-MQGIHEMASA-N 1 2 450.988 3.888 20 0 JHADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309029033 1070495296 /nfs/dbraw/zinc/49/52/96/1070495296.db2.gz WKVHPWKIKIRTGE-GOSISDBHSA-N 1 2 454.951 3.690 20 0 JHADLO CCCOc1ccc(-c2nnc(N(C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1OC ZINC001313501538 1070525251 /nfs/dbraw/zinc/52/52/51/1070525251.db2.gz UDYMYKRSBBJLSF-IBGZPJMESA-N 1 2 480.613 3.867 20 0 JHADLO O=S(=O)(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(F)ccc1OC(F)F ZINC001309078613 1070526567 /nfs/dbraw/zinc/52/65/67/1070526567.db2.gz XAYLTNOBCCHUAU-UHFFFAOYSA-N 1 2 450.429 3.648 20 0 JHADLO CCc1cccc(CC)c1S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001309101757 1070540481 /nfs/dbraw/zinc/54/04/81/1070540481.db2.gz VHINXWSHVWHDGW-UHFFFAOYSA-N 1 2 450.048 3.955 20 0 JHADLO CCCOc1ncccc1Cn1c(CC)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001313520110 1070585249 /nfs/dbraw/zinc/58/52/49/1070585249.db2.gz QNUABGVYDMCNQY-UHFFFAOYSA-N 1 2 468.577 3.543 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001313522974 1070593592 /nfs/dbraw/zinc/59/35/92/1070593592.db2.gz LTRQTEUNMRYDII-BJKOFHAPSA-N 1 2 485.673 3.980 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001313522974 1070593609 /nfs/dbraw/zinc/59/36/09/1070593609.db2.gz LTRQTEUNMRYDII-BJKOFHAPSA-N 1 2 485.673 3.980 20 0 JHADLO CCSc1cc(Cn2c(-c3ccc(CC)cc3)nnc2N(C)CC[NH+]2CCOCC2)ccn1 ZINC001314586118 1070607538 /nfs/dbraw/zinc/60/75/38/1070607538.db2.gz YRSWEJKOJZEIBL-UHFFFAOYSA-N 1 2 466.655 3.831 20 0 JHADLO CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313562523 1070679926 /nfs/dbraw/zinc/67/99/26/1070679926.db2.gz CUWHPHHLQDQPSU-HNNXBMFYSA-N 1 2 471.407 3.664 20 0 JHADLO CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313562523 1070679931 /nfs/dbraw/zinc/67/99/31/1070679931.db2.gz CUWHPHHLQDQPSU-HNNXBMFYSA-N 1 2 471.407 3.664 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314613837 1070681822 /nfs/dbraw/zinc/68/18/22/1070681822.db2.gz KMPSGCCEFCDWSF-PLACYPQZSA-N 1 2 467.724 3.885 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314613837 1070681826 /nfs/dbraw/zinc/68/18/26/1070681826.db2.gz KMPSGCCEFCDWSF-PLACYPQZSA-N 1 2 467.724 3.885 20 0 JHADLO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@H](C)C1CCC1 ZINC001313609924 1070734930 /nfs/dbraw/zinc/73/49/30/1070734930.db2.gz PIDHGKLQAYEITB-LJQANCHMSA-N 1 2 473.065 3.701 20 0 JHADLO CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313615975 1070739573 /nfs/dbraw/zinc/73/95/73/1070739573.db2.gz UTWYNZMDCGOAOF-DEOSSOPVSA-N 1 2 465.646 3.756 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)c[nH+]1 ZINC001314658696 1070780061 /nfs/dbraw/zinc/78/00/61/1070780061.db2.gz GELYJTKGCDLMRB-BGYRXZFFSA-N 1 2 469.634 3.794 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)c[nH+]1 ZINC001314659536 1070781700 /nfs/dbraw/zinc/78/17/00/1070781700.db2.gz XYAOZQAJLBWOOH-BGYRXZFFSA-N 1 2 469.634 3.794 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(S(=O)(=O)c3ccccc3)CC2)c[nH+]1 ZINC001314659736 1070782742 /nfs/dbraw/zinc/78/27/42/1070782742.db2.gz CKFQPIHRGFWUCE-UHFFFAOYSA-N 1 2 496.681 3.819 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)c[nH+]1 ZINC001314660115 1070783147 /nfs/dbraw/zinc/78/31/47/1070783147.db2.gz FOCRVUSRCMRCPW-UHFFFAOYSA-N 1 2 475.641 3.729 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)c[nH+]1 ZINC001314660787 1070785138 /nfs/dbraw/zinc/78/51/38/1070785138.db2.gz KHYWOIHIEVGQQW-UHFFFAOYSA-N 1 2 488.434 3.534 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccn3C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001314661269 1070785812 /nfs/dbraw/zinc/78/58/12/1070785812.db2.gz PYLUIEPMDYKCPQ-UHFFFAOYSA-N 1 2 494.644 3.629 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3ccc(Cl)cc3Cl)n1CCOCCCO)C2 ZINC001314663487 1070792355 /nfs/dbraw/zinc/79/23/55/1070792355.db2.gz FTOJLISULMATCU-UHFFFAOYSA-N 1 2 491.423 3.675 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C)c2)CC1 ZINC001313647775 1070812773 /nfs/dbraw/zinc/81/27/73/1070812773.db2.gz GMLGIMHBOVCBLC-UHFFFAOYSA-N 1 2 496.059 3.535 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001313655071 1070842499 /nfs/dbraw/zinc/84/24/99/1070842499.db2.gz WDFYXQHOFJAOSC-HXUWFJFHSA-N 1 2 491.631 3.741 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001314707212 1070877752 /nfs/dbraw/zinc/87/77/52/1070877752.db2.gz MULBFDIMCJSAJQ-UHFFFAOYSA-N 1 2 479.604 3.869 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1 ZINC001314712607 1070897785 /nfs/dbraw/zinc/89/77/85/1070897785.db2.gz RXEJFLVEVGOKNW-DVECYGJZSA-N 1 2 461.676 3.599 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001309642491 1070897866 /nfs/dbraw/zinc/89/78/66/1070897866.db2.gz WTPUCKIMHPIRTG-IXDOHACOSA-N 1 2 450.988 3.783 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001309642491 1070897885 /nfs/dbraw/zinc/89/78/85/1070897885.db2.gz WTPUCKIMHPIRTG-IXDOHACOSA-N 1 2 450.988 3.783 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](Cn3nc(C)nc3C)C2)c[nH+]1 ZINC001313672149 1070902660 /nfs/dbraw/zinc/90/26/60/1070902660.db2.gz CCBACRCJTFFEHV-QFIPXVFZSA-N 1 2 465.650 3.816 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)c[nH+]1 ZINC001313674271 1070910690 /nfs/dbraw/zinc/91/06/90/1070910690.db2.gz RWYVGPCQDPTMKY-MOPGFXCFSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@@H](C)C2)c[nH+]1 ZINC001313677090 1070923821 /nfs/dbraw/zinc/92/38/21/1070923821.db2.gz KPVBOAYSSYAZOI-IBGZPJMESA-N 1 2 480.613 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001313678582 1070930093 /nfs/dbraw/zinc/93/00/93/1070930093.db2.gz DKOMJUAHACYHER-HXUWFJFHSA-N 1 2 495.594 3.884 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3C[C@H](C)OC4(CCOCC4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313679250 1070933924 /nfs/dbraw/zinc/93/39/24/1070933924.db2.gz PKYUOILUIHGMCW-IBGZPJMESA-N 1 2 456.635 3.639 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCC[C@H](NC(C)=O)C2)c[nH+]1 ZINC001313678775 1070931386 /nfs/dbraw/zinc/93/13/86/1070931386.db2.gz IIZFQQSIUPVEKA-DEOSSOPVSA-N 1 2 475.641 3.572 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)OC)C2)c[nH+]1 ZINC001313679258 1070934924 /nfs/dbraw/zinc/93/49/24/1070934924.db2.gz PPTLLWPQIJTTNY-IBGZPJMESA-N 1 2 499.015 3.799 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001313679565 1070935442 /nfs/dbraw/zinc/93/54/42/1070935442.db2.gz ODPAFXGXHQVIOC-SFHVURJKSA-N 1 2 495.594 3.661 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCOC(C)(C)C2)c[nH+]1 ZINC001313679740 1070936375 /nfs/dbraw/zinc/93/63/75/1070936375.db2.gz RZNDQVDNMNQHRO-UHFFFAOYSA-N 1 2 478.641 3.977 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCO[C@](C)(CC)C3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313680204 1070937730 /nfs/dbraw/zinc/93/77/30/1070937730.db2.gz XOQWKRHYYPBFCK-FTJBHMTQSA-N 1 2 486.661 3.614 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccccc1OC(F)F ZINC001309850173 1070995298 /nfs/dbraw/zinc/99/52/98/1070995298.db2.gz UVERJFSRCJZRMA-HUUCEWRRSA-N 1 2 450.429 3.629 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccccc1OC(F)F ZINC001309850173 1070995302 /nfs/dbraw/zinc/99/53/02/1070995302.db2.gz UVERJFSRCJZRMA-HUUCEWRRSA-N 1 2 450.429 3.629 20 0 JHADLO CN(C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1)C1CCOCC1 ZINC001309974904 1071034592 /nfs/dbraw/zinc/03/45/92/1071034592.db2.gz GARQRCPUJHUEFI-UHFFFAOYSA-N 1 2 451.571 3.645 20 0 JHADLO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1c[nH+]ccc1OC ZINC001313732855 1071050551 /nfs/dbraw/zinc/05/05/51/1071050551.db2.gz KJXUTADFDYNLQD-UHFFFAOYSA-N 1 2 461.501 3.543 20 0 JHADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001310011261 1071056355 /nfs/dbraw/zinc/05/63/55/1071056355.db2.gz OJKVIDQGHKVVNS-RTWAWAEBSA-N 1 2 460.937 3.518 20 0 JHADLO CCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC001310009535 1071055344 /nfs/dbraw/zinc/05/53/44/1071055344.db2.gz BZXOFXVWYNRWBB-GOSISDBHSA-N 1 2 454.571 3.754 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 ZINC001310025622 1071069404 /nfs/dbraw/zinc/06/94/04/1071069404.db2.gz XLJSDRNSVCOTTC-QHCPKHFHSA-N 1 2 451.571 3.661 20 0 JHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001310034484 1071074106 /nfs/dbraw/zinc/07/41/06/1071074106.db2.gz OTYZPVVLGDBRRL-GVDBMIGSSA-N 1 2 451.637 4.000 20 0 JHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001310034484 1071074119 /nfs/dbraw/zinc/07/41/19/1071074119.db2.gz OTYZPVVLGDBRRL-GVDBMIGSSA-N 1 2 451.637 4.000 20 0 JHADLO CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001313752621 1071089257 /nfs/dbraw/zinc/08/92/57/1071089257.db2.gz OFZMOKOHQDUTGS-SFHVURJKSA-N 1 2 459.591 3.805 20 0 JHADLO CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001313752621 1071089273 /nfs/dbraw/zinc/08/92/73/1071089273.db2.gz OFZMOKOHQDUTGS-SFHVURJKSA-N 1 2 459.591 3.805 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001313754258 1071092649 /nfs/dbraw/zinc/09/26/49/1071092649.db2.gz XIYKHZQTWFXUHD-JOCHJYFZSA-N 1 2 495.672 3.906 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001313774962 1071131046 /nfs/dbraw/zinc/13/10/46/1071131046.db2.gz XLRORELRGKOPSW-RXVVDRJESA-N 1 2 456.541 3.927 20 0 JHADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC001310126623 1071137894 /nfs/dbraw/zinc/13/78/94/1071137894.db2.gz KISUKMDSXGLOLL-IYBDPMFKSA-N 1 2 452.433 3.535 20 0 JHADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC001310126623 1071137898 /nfs/dbraw/zinc/13/78/98/1071137898.db2.gz KISUKMDSXGLOLL-IYBDPMFKSA-N 1 2 452.433 3.535 20 0 JHADLO CN(CCC(F)(F)F)c1nnc(Cc2cccnc2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001314821152 1071138489 /nfs/dbraw/zinc/13/84/89/1071138489.db2.gz HXRKXVXDJWIHPA-UHFFFAOYSA-N 1 2 455.488 3.946 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCSC1 ZINC001313778955 1071141062 /nfs/dbraw/zinc/14/10/62/1071141062.db2.gz LTMNQCKIXZDUGW-OAQYLSRUSA-N 1 2 485.702 3.697 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCCCO2)n1CCCC(=O)N(C)C ZINC001313778942 1071141117 /nfs/dbraw/zinc/14/11/17/1071141117.db2.gz LSIGMZVNBWUGLV-QFIPXVFZSA-N 1 2 483.661 3.526 20 0 JHADLO COc1cc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCCO ZINC001310137999 1071146410 /nfs/dbraw/zinc/14/64/10/1071146410.db2.gz AWCAZMWNWRCTDS-FHWLQOOXSA-N 1 2 457.571 3.558 20 0 JHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)C[C@@H](C)O1 ZINC001310140071 1071148506 /nfs/dbraw/zinc/14/85/06/1071148506.db2.gz OWFXUXGOLGFWAM-HROGELHOSA-N 1 2 459.612 3.714 20 0 JHADLO CN(CCC(F)(F)F)c1nnc(COc2ccccc2F)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314825346 1071149123 /nfs/dbraw/zinc/14/91/23/1071149123.db2.gz YHDMMGVIWUVNJX-UHFFFAOYSA-N 1 2 494.493 3.665 20 0 JHADLO CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313785939 1071161564 /nfs/dbraw/zinc/16/15/64/1071161564.db2.gz NLZXAWFSJDJNQQ-UHFFFAOYSA-N 1 2 470.581 3.504 20 0 JHADLO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310181017 1071186426 /nfs/dbraw/zinc/18/64/26/1071186426.db2.gz SSGURWCWIPFLDI-SFHVURJKSA-N 1 2 456.493 3.901 20 0 JHADLO CN(CCC1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314840616 1071188383 /nfs/dbraw/zinc/18/83/83/1071188383.db2.gz BYVANZVUKOBVGK-NRFANRHFSA-N 1 2 471.556 3.569 20 0 JHADLO CN(CCCOc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314857441 1071240882 /nfs/dbraw/zinc/24/08/82/1071240882.db2.gz SHPGRIBKRDDWEN-QFIPXVFZSA-N 1 2 475.609 3.675 20 0 JHADLO CN(CCCOc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001314857441 1071240892 /nfs/dbraw/zinc/24/08/92/1071240892.db2.gz SHPGRIBKRDDWEN-QFIPXVFZSA-N 1 2 475.609 3.675 20 0 JHADLO CN(CCn1c(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001314867432 1071273665 /nfs/dbraw/zinc/27/36/65/1071273665.db2.gz YQRDZHLJLHYWAG-QGZVFWFLSA-N 1 2 488.624 3.641 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCc1ccccc1C(F)(F)F ZINC001314870207 1071280231 /nfs/dbraw/zinc/28/02/31/1071280231.db2.gz CJTZLHVPSXXAPA-HXUWFJFHSA-N 1 2 467.536 3.550 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cscc1C(F)(F)F ZINC001314869568 1071279443 /nfs/dbraw/zinc/27/94/43/1071279443.db2.gz BZMUPEXKMIXSBD-UHFFFAOYSA-N 1 2 486.951 3.891 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 ZINC001314874137 1071291469 /nfs/dbraw/zinc/29/14/69/1071291469.db2.gz NPKXCPHJIKUXPT-VWLOTQADSA-N 1 2 476.065 3.622 20 0 JHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1 ZINC001310322446 1071305824 /nfs/dbraw/zinc/30/58/24/1071305824.db2.gz JFTGUKAOPLJLJD-SFHVURJKSA-N 1 2 459.616 3.738 20 0 JHADLO CCOC1CC(CNC(=O)Nc2ccc(COCc3ccccc3)cc2)([NH+]2CCOCC2)C1 ZINC001310323519 1071306963 /nfs/dbraw/zinc/30/69/63/1071306963.db2.gz UGQSAPUTGVNZLX-UHFFFAOYSA-N 1 2 453.583 3.795 20 0 JHADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001310347895 1071329078 /nfs/dbraw/zinc/32/90/78/1071329078.db2.gz ZAALYEWACQVMGI-FQEVSTJZSA-N 1 2 452.555 3.706 20 0 JHADLO Cn1cc(CCCn2c(N3CC[NH+](CCOc4ccccc4Cl)CC3)nnc2C(C)(C)C)cn1 ZINC001314901880 1071338511 /nfs/dbraw/zinc/33/85/11/1071338511.db2.gz IMMBJTGMGHBEGX-UHFFFAOYSA-N 1 2 486.064 3.796 20 0 JHADLO C[C@H]1C[N@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@@H](C)CO1 ZINC001310466541 1071408927 /nfs/dbraw/zinc/40/89/27/1071408927.db2.gz MTLSCXVFQRJVHO-KBPBESRZSA-N 1 2 453.406 3.727 20 0 JHADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@@H](C)CO1 ZINC001310466541 1071408932 /nfs/dbraw/zinc/40/89/32/1071408932.db2.gz MTLSCXVFQRJVHO-KBPBESRZSA-N 1 2 453.406 3.727 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001313884968 1071465898 /nfs/dbraw/zinc/46/58/98/1071465898.db2.gz OLSYJYYXQRBFBL-FGTMMUONSA-N 1 2 498.118 3.577 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001313884968 1071465901 /nfs/dbraw/zinc/46/59/01/1071465901.db2.gz OLSYJYYXQRBFBL-FGTMMUONSA-N 1 2 498.118 3.577 20 0 JHADLO CNC(=O)c1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314980293 1071481997 /nfs/dbraw/zinc/48/19/97/1071481997.db2.gz RYJSAXJNNRPVFW-UHFFFAOYSA-N 1 2 489.649 3.966 20 0 JHADLO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001314988068 1071501037 /nfs/dbraw/zinc/50/10/37/1071501037.db2.gz FBVZVXUUEIXERG-OAQYLSRUSA-N 1 2 467.662 3.509 20 0 JHADLO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2CCCNc2cccc[nH+]2)CC1=O ZINC001313915756 1071550890 /nfs/dbraw/zinc/55/08/90/1071550890.db2.gz KRIMWHLQZUMYJX-UHFFFAOYSA-N 1 2 453.978 3.554 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928120 1071582731 /nfs/dbraw/zinc/58/27/31/1071582731.db2.gz QLWCUWBLRYIMGQ-FQEVSTJZSA-N 1 2 458.626 3.649 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929277 1071586524 /nfs/dbraw/zinc/58/65/24/1071586524.db2.gz YHYFNFGHJYWYKQ-JOCHJYFZSA-N 1 2 484.689 3.764 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928591 1071584455 /nfs/dbraw/zinc/58/44/55/1071584455.db2.gz UKNKUGPZSVDDAF-OAQYLSRUSA-N 1 2 466.630 3.729 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001314018476 1071765329 /nfs/dbraw/zinc/76/53/29/1071765329.db2.gz UUXBRNSDTZYLCX-IBGZPJMESA-N 1 2 455.607 3.504 20 0 JHADLO CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)s1 ZINC001305962457 1068294508 /nfs/dbraw/zinc/29/45/08/1068294508.db2.gz RJFSMOJRCORJJT-OALUTQOASA-N 1 2 458.676 3.597 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001306005101 1068382275 /nfs/dbraw/zinc/38/22/75/1068382275.db2.gz GJAMATLLSJMDEA-MJGOQNOKSA-N 1 2 469.659 3.509 20 0 JHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2C1 ZINC001306027302 1068423910 /nfs/dbraw/zinc/42/39/10/1068423910.db2.gz JCGXDFQQQRKHOZ-WIYYLYMNSA-N 1 2 456.562 3.690 20 0 JHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2C1 ZINC001306027302 1068423914 /nfs/dbraw/zinc/42/39/14/1068423914.db2.gz JCGXDFQQQRKHOZ-WIYYLYMNSA-N 1 2 456.562 3.690 20 0 JHADLO CCc1nnc(N(C)C[C@@H](C)Cc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306074468 1068507552 /nfs/dbraw/zinc/50/75/52/1068507552.db2.gz JUISAVXDEVAXKM-SFTDATJTSA-N 1 2 478.641 3.833 20 0 JHADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCc1cc(C)ccc1OC ZINC001306077256 1068509451 /nfs/dbraw/zinc/50/94/51/1068509451.db2.gz XVHBWEFWEPXURE-NRFANRHFSA-N 1 2 469.655 3.971 20 0 JHADLO CCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306121762 1068530520 /nfs/dbraw/zinc/53/05/20/1068530520.db2.gz QDYGDGWADMHNHG-CYBMUJFWSA-N 1 2 492.472 3.662 20 0 JHADLO CCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306121762 1068530532 /nfs/dbraw/zinc/53/05/32/1068530532.db2.gz QDYGDGWADMHNHG-CYBMUJFWSA-N 1 2 492.472 3.662 20 0 JHADLO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306144833 1068547374 /nfs/dbraw/zinc/54/73/74/1068547374.db2.gz XIVQVIWIQYNMIA-UHFFFAOYSA-N 1 2 467.643 3.590 20 0 JHADLO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1CCCNc1cccc[nH+]1 ZINC001306144960 1068547980 /nfs/dbraw/zinc/54/79/80/1068547980.db2.gz UVIHTYDZERSTKO-RBUKOAKNSA-N 1 2 457.623 3.867 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306164271 1068559526 /nfs/dbraw/zinc/55/95/26/1068559526.db2.gz HCJNDHIDEQFBCB-ISKFKSNPSA-N 1 2 496.700 3.601 20 0 JHADLO CCc1nnc(N[C@H](C)[C@@H](OC)c2ccccc2Cl)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306228020 1068612570 /nfs/dbraw/zinc/61/25/70/1068612570.db2.gz OKCPANYSNRYQMX-VGOFRKELSA-N 1 2 471.005 3.962 20 0 JHADLO CCc1nnc(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306227869 1068612636 /nfs/dbraw/zinc/61/26/36/1068612636.db2.gz OKCPANYSNRYQMX-HTAPYJJXSA-N 1 2 471.005 3.962 20 0 JHADLO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001306228916 1068613748 /nfs/dbraw/zinc/61/37/48/1068613748.db2.gz YWMKIQLHTGINMC-FUHIMQAGSA-N 1 2 490.599 3.725 20 0 JHADLO CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001306380692 1068811958 /nfs/dbraw/zinc/81/19/58/1068811958.db2.gz BKOPNZIMDOHOQI-UHFFFAOYSA-N 1 2 458.626 3.649 20 0 JHADLO CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001306380692 1068811970 /nfs/dbraw/zinc/81/19/70/1068811970.db2.gz BKOPNZIMDOHOQI-UHFFFAOYSA-N 1 2 458.626 3.649 20 0 JHADLO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CCS1 ZINC001306385320 1068818444 /nfs/dbraw/zinc/81/84/44/1068818444.db2.gz OAGXAARLKDPTAW-HXUWFJFHSA-N 1 2 471.675 3.572 20 0 JHADLO CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306400064 1068857059 /nfs/dbraw/zinc/85/70/59/1068857059.db2.gz MZHONIAKEDHMAU-GMKZXUHWSA-N 1 2 498.672 3.790 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CCS1 ZINC001306400715 1068859480 /nfs/dbraw/zinc/85/94/80/1068859480.db2.gz YHVRELCZYBWLPU-ZJSXRUAMSA-N 1 2 459.660 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306454730 1068977154 /nfs/dbraw/zinc/97/71/54/1068977154.db2.gz WCQQYONKYUJAOP-UNMCSNQZSA-N 1 2 464.614 3.987 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306471388 1069015366 /nfs/dbraw/zinc/01/53/66/1069015366.db2.gz WHAUQXQWXLTGRJ-CQQBXOTJSA-N 1 2 468.646 3.533 20 0 JHADLO CC/C=C\Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306485998 1069024951 /nfs/dbraw/zinc/02/49/51/1069024951.db2.gz PSWUIGPSMNLZIK-KSEXMQBYSA-N 1 2 480.657 3.573 20 0 JHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC001310609230 1069051574 /nfs/dbraw/zinc/05/15/74/1069051574.db2.gz FVCFPRJGWDUFAK-INIZCTEOSA-N 1 2 457.376 3.914 20 0 JHADLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001310620456 1069063148 /nfs/dbraw/zinc/06/31/48/1069063148.db2.gz DDSBKLPEBPHAEE-FQEVSTJZSA-N 1 2 457.550 3.869 20 0 JHADLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001310620456 1069063150 /nfs/dbraw/zinc/06/31/50/1069063150.db2.gz DDSBKLPEBPHAEE-FQEVSTJZSA-N 1 2 457.550 3.869 20 0 JHADLO COC(=O)c1cccc(NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)c1OC(C)C ZINC001310625028 1069066774 /nfs/dbraw/zinc/06/67/74/1069066774.db2.gz YRTMXMYQQSNALK-UHFFFAOYSA-N 1 2 455.555 3.927 20 0 JHADLO CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(F)c1 ZINC001310753199 1069151224 /nfs/dbraw/zinc/15/12/24/1069151224.db2.gz PHYUQXVTSNWTSI-OAHLLOKOSA-N 1 2 454.593 3.950 20 0 JHADLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)ccc21 ZINC001310793765 1069165281 /nfs/dbraw/zinc/16/52/81/1069165281.db2.gz PPKSHZNKMNBHSP-UHFFFAOYSA-N 1 2 451.478 3.525 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1F ZINC001310833278 1069184414 /nfs/dbraw/zinc/18/44/14/1069184414.db2.gz PRGQJHLZQKXTRT-VQIMIIECSA-N 1 2 453.873 3.598 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1F ZINC001310833278 1069184420 /nfs/dbraw/zinc/18/44/20/1069184420.db2.gz PRGQJHLZQKXTRT-VQIMIIECSA-N 1 2 453.873 3.598 20 0 JHADLO CCC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306546650 1069204156 /nfs/dbraw/zinc/20/41/56/1069204156.db2.gz ZZPNEJLURSDSJJ-XMMPIXPASA-N 1 2 471.005 3.783 20 0 JHADLO CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306548952 1069209689 /nfs/dbraw/zinc/20/96/89/1069209689.db2.gz OIACUZVZJYUFDC-IBGZPJMESA-N 1 2 461.614 3.521 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001306559793 1069230036 /nfs/dbraw/zinc/23/00/36/1069230036.db2.gz YDBAQRNKTOKNJQ-KRWDZBQOSA-N 1 2 485.658 3.871 20 0 JHADLO CCOC(=O)C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC001310972650 1069236453 /nfs/dbraw/zinc/23/64/53/1069236453.db2.gz LWVMGAYRCPGZBP-CABCVRRESA-N 1 2 453.864 3.799 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306578011 1069243256 /nfs/dbraw/zinc/24/32/56/1069243256.db2.gz CTFXHIIQYMPOMZ-QZTJIDSGSA-N 1 2 480.451 3.965 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001306578011 1069243274 /nfs/dbraw/zinc/24/32/74/1069243274.db2.gz CTFXHIIQYMPOMZ-QZTJIDSGSA-N 1 2 480.451 3.965 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001311172517 1069288814 /nfs/dbraw/zinc/28/88/14/1069288814.db2.gz MWEXKWXORPQTNN-UHFFFAOYSA-N 1 2 454.493 3.995 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1 ZINC001311219025 1069300345 /nfs/dbraw/zinc/30/03/45/1069300345.db2.gz QQTUNFSWAXPZNI-LJQANCHMSA-N 1 2 454.571 3.792 20 0 JHADLO COc1nc(Cl)ncc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419047 718890376 /nfs/dbraw/zinc/89/03/76/718890376.db2.gz PITBLJBGSIMCCX-LBPRGKRZSA-N 1 2 474.693 3.672 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164664578 719347556 /nfs/dbraw/zinc/34/75/56/719347556.db2.gz ZEMHCYTYUFJOBO-UHFFFAOYSA-N 1 2 468.964 3.668 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164664578 719347561 /nfs/dbraw/zinc/34/75/61/719347561.db2.gz ZEMHCYTYUFJOBO-UHFFFAOYSA-N 1 2 468.964 3.668 20 0 JHADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664458 719348450 /nfs/dbraw/zinc/34/84/50/719348450.db2.gz UOHBJGLQJSKSGO-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664458 719348454 /nfs/dbraw/zinc/34/84/54/719348454.db2.gz UOHBJGLQJSKSGO-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164664463 719348569 /nfs/dbraw/zinc/34/85/69/719348569.db2.gz UROBSRABCWRWLH-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164664463 719348572 /nfs/dbraw/zinc/34/85/72/719348572.db2.gz UROBSRABCWRWLH-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164658533 719351908 /nfs/dbraw/zinc/35/19/08/719351908.db2.gz IITKDVRUIYVRQJ-UHFFFAOYSA-N 1 2 483.576 3.506 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164658533 719351910 /nfs/dbraw/zinc/35/19/10/719351910.db2.gz IITKDVRUIYVRQJ-UHFFFAOYSA-N 1 2 483.576 3.506 20 0 JHADLO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2s1 ZINC001164673345 719516384 /nfs/dbraw/zinc/51/63/84/719516384.db2.gz PGEPOIYARXLBLS-UHFFFAOYSA-N 1 2 470.570 3.879 20 0 JHADLO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2s1 ZINC001164673345 719516388 /nfs/dbraw/zinc/51/63/88/719516388.db2.gz PGEPOIYARXLBLS-UHFFFAOYSA-N 1 2 470.570 3.879 20 0 JHADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671605 719516551 /nfs/dbraw/zinc/51/65/51/719516551.db2.gz GMTAHBOBXCYRQA-UHFFFAOYSA-N 1 2 498.599 3.863 20 0 JHADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671605 719516562 /nfs/dbraw/zinc/51/65/62/719516562.db2.gz GMTAHBOBXCYRQA-UHFFFAOYSA-N 1 2 498.599 3.863 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cncc(Cl)n3)CC2)cc1 ZINC001164698746 719830161 /nfs/dbraw/zinc/83/01/61/719830161.db2.gz UFAJUDUUIAXUJN-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC001164698771 719830477 /nfs/dbraw/zinc/83/04/77/719830477.db2.gz UMLDKVNOURHOSD-UHFFFAOYSA-N 1 2 488.926 3.588 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164706720 719850860 /nfs/dbraw/zinc/85/08/60/719850860.db2.gz YOBDMDMPVKWCGI-UWJYYQICSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164698347 719851019 /nfs/dbraw/zinc/85/10/19/719851019.db2.gz BNMXWNAAIISQSN-LAUBAEHRSA-N 1 2 453.917 3.666 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCC)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164716921 720063511 /nfs/dbraw/zinc/06/35/11/720063511.db2.gz XTVWUAOPRQTUDI-WFXMLNOXSA-N 1 2 488.654 3.935 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1 ZINC001164723309 720309458 /nfs/dbraw/zinc/30/94/58/720309458.db2.gz NKKVJSJDJOHLJA-NRFANRHFSA-N 1 2 485.000 3.673 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1 ZINC001164723309 720309467 /nfs/dbraw/zinc/30/94/67/720309467.db2.gz NKKVJSJDJOHLJA-NRFANRHFSA-N 1 2 485.000 3.673 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164721340 720316316 /nfs/dbraw/zinc/31/63/16/720316316.db2.gz GISZSPJDDKGLNC-KRWDZBQOSA-N 1 2 475.931 3.754 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164724580 720316343 /nfs/dbraw/zinc/31/63/43/720316343.db2.gz RIRDEXPWAYEDML-KRWDZBQOSA-N 1 2 464.904 3.952 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164824791 720368677 /nfs/dbraw/zinc/36/86/77/720368677.db2.gz LKDNULOABUVZEQ-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164824791 720368684 /nfs/dbraw/zinc/36/86/84/720368684.db2.gz LKDNULOABUVZEQ-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4OCc4ccccc4)CC3)C2=O)cs1 ZINC001164819338 720379071 /nfs/dbraw/zinc/37/90/71/720379071.db2.gz DCFCWUPXVRSGCC-UHFFFAOYSA-N 1 2 477.634 3.739 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4OCc4ccccc4)CC3)C2=O)cs1 ZINC001164819338 720379077 /nfs/dbraw/zinc/37/90/77/720379077.db2.gz DCFCWUPXVRSGCC-UHFFFAOYSA-N 1 2 477.634 3.739 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)nc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164820419 720380924 /nfs/dbraw/zinc/38/09/24/720380924.db2.gz BCTCBQWSUOYWQZ-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)nc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164820419 720380929 /nfs/dbraw/zinc/38/09/29/720380929.db2.gz BCTCBQWSUOYWQZ-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821425 720385525 /nfs/dbraw/zinc/38/55/25/720385525.db2.gz GLDKSPTUOXJSEZ-MRXNPFEDSA-N 1 2 467.643 3.550 20 0 JHADLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821425 720385532 /nfs/dbraw/zinc/38/55/32/720385532.db2.gz GLDKSPTUOXJSEZ-MRXNPFEDSA-N 1 2 467.643 3.550 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164825658 720441157 /nfs/dbraw/zinc/44/11/57/720441157.db2.gz TVKGUJWKPQFAKO-FQEVSTJZSA-N 1 2 490.633 3.544 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@H]54)c3C2)cc1 ZINC001164845688 720771281 /nfs/dbraw/zinc/77/12/81/720771281.db2.gz GEIYVSQJPGPBFO-RNJDCESWSA-N 1 2 471.605 3.773 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@H]54)c3C2)cc1 ZINC001164845688 720771290 /nfs/dbraw/zinc/77/12/90/720771290.db2.gz GEIYVSQJPGPBFO-RNJDCESWSA-N 1 2 471.605 3.773 20 0 JHADLO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860944 720897890 /nfs/dbraw/zinc/89/78/90/720897890.db2.gz WMQCHVJHWCMZJY-PWUYWRBVSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860944 720897894 /nfs/dbraw/zinc/89/78/94/720897894.db2.gz WMQCHVJHWCMZJY-PWUYWRBVSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758926 720983118 /nfs/dbraw/zinc/98/31/18/720983118.db2.gz XCRKVJKZFVZYMM-OAHLLOKOSA-N 1 2 455.893 3.631 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908599 721560145 /nfs/dbraw/zinc/56/01/45/721560145.db2.gz QUNWKXPUJFTWKW-RBBKRZOGSA-N 1 2 486.544 3.503 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908599 721560149 /nfs/dbraw/zinc/56/01/49/721560149.db2.gz QUNWKXPUJFTWKW-RBBKRZOGSA-N 1 2 486.544 3.503 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908593 721560166 /nfs/dbraw/zinc/56/01/66/721560166.db2.gz QUNWKXPUJFTWKW-IFMALSPDSA-N 1 2 486.544 3.503 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908593 721560169 /nfs/dbraw/zinc/56/01/69/721560169.db2.gz QUNWKXPUJFTWKW-IFMALSPDSA-N 1 2 486.544 3.503 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165009300 721716735 /nfs/dbraw/zinc/71/67/35/721716735.db2.gz SMIZNEVQYDIVIP-QFIPXVFZSA-N 1 2 459.957 3.767 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165009300 721716739 /nfs/dbraw/zinc/71/67/39/721716739.db2.gz SMIZNEVQYDIVIP-QFIPXVFZSA-N 1 2 459.957 3.767 20 0 JHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1C ZINC001311334466 1069327873 /nfs/dbraw/zinc/32/78/73/1069327873.db2.gz YDBHETJHGHFDEM-INIZCTEOSA-N 1 2 456.547 3.543 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306632853 1069335318 /nfs/dbraw/zinc/33/53/18/1069335318.db2.gz NNZUZFSCVXBXDM-IBGZPJMESA-N 1 2 454.550 3.511 20 0 JHADLO CSC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001311377731 1069351032 /nfs/dbraw/zinc/35/10/32/1069351032.db2.gz DGSHIZMXPPENMD-FQEVSTJZSA-N 1 2 457.619 3.832 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001311422066 1069369321 /nfs/dbraw/zinc/36/93/21/1069369321.db2.gz YGAHJASAPIUNIE-GOSISDBHSA-N 1 2 456.509 3.542 20 0 JHADLO Cc1ccc(CCNC(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1 ZINC001311431286 1069376905 /nfs/dbraw/zinc/37/69/05/1069376905.db2.gz BRLNVEJXKJMWEO-UHFFFAOYSA-N 1 2 456.587 3.683 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCC[C@@H](O)C(F)F)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311450239 1069384928 /nfs/dbraw/zinc/38/49/28/1069384928.db2.gz BMOMTWGXFGWSJZ-QZTJIDSGSA-N 1 2 455.596 3.885 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCC[C@@H](O)C(F)F)[N@H+]2CCc3sccc3C2)cc1 ZINC001311450239 1069384944 /nfs/dbraw/zinc/38/49/44/1069384944.db2.gz BMOMTWGXFGWSJZ-QZTJIDSGSA-N 1 2 455.596 3.885 20 0 JHADLO Cc1ccc(Br)cc1CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001311517927 1069419465 /nfs/dbraw/zinc/41/94/65/1069419465.db2.gz NZJNFBDGEOBXLQ-UHFFFAOYSA-N 1 2 459.388 3.660 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1)Nc1ccccc1 ZINC001311518217 1069419896 /nfs/dbraw/zinc/41/98/96/1069419896.db2.gz UVOIXJPGXAOJPW-OAQYLSRUSA-N 1 2 456.974 3.956 20 0 JHADLO CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001306703159 1069438958 /nfs/dbraw/zinc/43/89/58/1069438958.db2.gz PADAFKVVLYOFGG-GOSISDBHSA-N 1 2 459.038 3.968 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001311593804 1069455765 /nfs/dbraw/zinc/45/57/65/1069455765.db2.gz KGHXKCZSFLLSEQ-SHQCIBLASA-N 1 2 451.611 3.666 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001311593804 1069455774 /nfs/dbraw/zinc/45/57/74/1069455774.db2.gz KGHXKCZSFLLSEQ-SHQCIBLASA-N 1 2 451.611 3.666 20 0 JHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001311594956 1069456241 /nfs/dbraw/zinc/45/62/41/1069456241.db2.gz SMUXSZGFNAOTBB-DQEYMECFSA-N 1 2 454.590 3.678 20 0 JHADLO CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001306768760 1069568556 /nfs/dbraw/zinc/56/85/56/1069568556.db2.gz AFBCCOWVQINUNV-LJQANCHMSA-N 1 2 471.627 3.944 20 0 JHADLO Cc1cccc(COc2c(C)cc(CN(C)C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)cc2C)c1 ZINC001311898284 1069604201 /nfs/dbraw/zinc/60/42/01/1069604201.db2.gz TVBBRSPFYRACSR-HSZRJFAPSA-N 1 2 452.643 3.968 20 0 JHADLO CCCN(CCC)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001306814924 1069636402 /nfs/dbraw/zinc/63/64/02/1069636402.db2.gz GVSPALDYLPQXNN-UHFFFAOYSA-N 1 2 465.440 3.537 20 0 JHADLO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001306836132 1069651125 /nfs/dbraw/zinc/65/11/25/1069651125.db2.gz CXTCVJCERQLIDL-UHFFFAOYSA-N 1 2 454.379 3.786 20 0 JHADLO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001306836132 1069651132 /nfs/dbraw/zinc/65/11/32/1069651132.db2.gz CXTCVJCERQLIDL-UHFFFAOYSA-N 1 2 454.379 3.786 20 0 JHADLO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306854519 1069660207 /nfs/dbraw/zinc/66/02/07/1069660207.db2.gz AQMBLSHTRRDYCV-SFHVURJKSA-N 1 2 452.624 3.778 20 0 JHADLO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306854519 1069660212 /nfs/dbraw/zinc/66/02/12/1069660212.db2.gz AQMBLSHTRRDYCV-SFHVURJKSA-N 1 2 452.624 3.778 20 0 JHADLO CCOc1ccc(-c2nnc(N(C)CC(F)(F)F)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314165174 1069660747 /nfs/dbraw/zinc/66/07/47/1069660747.db2.gz XGDMSANOMQXKFL-UHFFFAOYSA-N 1 2 451.449 3.803 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042483 1069689040 /nfs/dbraw/zinc/68/90/40/1069689040.db2.gz YSXOYPXLHQYLDR-YADHBBJMSA-N 1 2 457.018 3.817 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042483 1069689048 /nfs/dbraw/zinc/68/90/48/1069689048.db2.gz YSXOYPXLHQYLDR-YADHBBJMSA-N 1 2 457.018 3.817 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4C3)CC2)cc1 ZINC001312096774 1069719201 /nfs/dbraw/zinc/71/92/01/1069719201.db2.gz IDRNVNCITVBMDC-UXHICEINSA-N 1 2 471.646 3.620 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(C3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001314185500 1069737871 /nfs/dbraw/zinc/73/78/71/1069737871.db2.gz TVANHLABBWRCKL-IBGZPJMESA-N 1 2 457.619 3.700 20 0 JHADLO CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC001314186707 1069740640 /nfs/dbraw/zinc/74/06/40/1069740640.db2.gz QEKDIYBLZQGPPN-IBGZPJMESA-N 1 2 450.587 3.969 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314192497 1069756676 /nfs/dbraw/zinc/75/66/76/1069756676.db2.gz UGKJWLALLFLDNU-SFTDATJTSA-N 1 2 492.624 3.820 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314196406 1069772881 /nfs/dbraw/zinc/77/28/81/1069772881.db2.gz YODXVLFQHYZILO-NHCUHLMSSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314196406 1069772891 /nfs/dbraw/zinc/77/28/91/1069772891.db2.gz YODXVLFQHYZILO-NHCUHLMSSA-N 1 2 457.619 3.774 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC001312226976 1069793404 /nfs/dbraw/zinc/79/34/04/1069793404.db2.gz NUJFAFKFIOAGCG-UHFFFAOYSA-N 1 2 453.008 3.598 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314221010 1069870151 /nfs/dbraw/zinc/87/01/51/1069870151.db2.gz ANYUYZYOWARVFI-XXBNENTESA-N 1 2 480.613 3.626 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N[C@@H]3CCCN(CC)C3=O)c2c1C ZINC001307216077 1069908042 /nfs/dbraw/zinc/90/80/42/1069908042.db2.gz IAKNYODXWLUIMB-MRXNPFEDSA-N 1 2 459.616 3.585 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001312427128 1069930267 /nfs/dbraw/zinc/93/02/67/1069930267.db2.gz UUUSMFOHCGWHSR-NZQKXSOJSA-N 1 2 458.990 3.575 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001312427128 1069930279 /nfs/dbraw/zinc/93/02/79/1069930279.db2.gz UUUSMFOHCGWHSR-NZQKXSOJSA-N 1 2 458.990 3.575 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426855 1069929025 /nfs/dbraw/zinc/92/90/25/1069929025.db2.gz SWEAFHWSVMOUAW-DHIUTWEWSA-N 1 2 458.002 3.803 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426855 1069929054 /nfs/dbraw/zinc/92/90/54/1069929054.db2.gz SWEAFHWSVMOUAW-DHIUTWEWSA-N 1 2 458.002 3.803 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312427655 1069930996 /nfs/dbraw/zinc/93/09/96/1069930996.db2.gz YHCVEKALRIGOJN-GMAHTHKFSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312427655 1069931005 /nfs/dbraw/zinc/93/10/05/1069931005.db2.gz YHCVEKALRIGOJN-GMAHTHKFSA-N 1 2 453.974 3.943 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@@]3(C)CCCc4ccccc43)C2)CC1 ZINC001312435790 1069934736 /nfs/dbraw/zinc/93/47/36/1069934736.db2.gz OHFDJTCERTVUNP-HFZDXXHNSA-N 1 2 456.631 3.617 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC)([NH+]2CCOCC2)C1 ZINC001314238694 1069938153 /nfs/dbraw/zinc/93/81/53/1069938153.db2.gz AWCLSUUOHNVBSV-AGHUKTAOSA-N 1 2 471.646 3.761 20 0 JHADLO O[C@H](COc1ccccc1C(F)(F)F)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001307417804 1069975159 /nfs/dbraw/zinc/97/51/59/1069975159.db2.gz OROJXYCHZYELLP-AWEZNQCLSA-N 1 2 450.288 3.969 20 0 JHADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1 ZINC001307424759 1069977607 /nfs/dbraw/zinc/97/76/07/1069977607.db2.gz VCAUMIWMNAKLLT-LJQANCHMSA-N 1 2 459.550 3.864 20 0 JHADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1 ZINC001307424759 1069977613 /nfs/dbraw/zinc/97/76/13/1069977613.db2.gz VCAUMIWMNAKLLT-LJQANCHMSA-N 1 2 459.550 3.864 20 0 JHADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001307443076 1069986903 /nfs/dbraw/zinc/98/69/03/1069986903.db2.gz RWXXJSVLPQWHDV-UHFFFAOYSA-N 1 2 454.518 3.957 20 0 JHADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001307443076 1069986917 /nfs/dbraw/zinc/98/69/17/1069986917.db2.gz RWXXJSVLPQWHDV-UHFFFAOYSA-N 1 2 454.518 3.957 20 0 JHADLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)Cc1cc(Br)ccc1F ZINC001307449300 1069989214 /nfs/dbraw/zinc/98/92/14/1069989214.db2.gz MROIKDWLWBRPGZ-HNNXBMFYSA-N 1 2 452.343 3.896 20 0 JHADLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)Cc1cc(Br)ccc1F ZINC001307449300 1069989237 /nfs/dbraw/zinc/98/92/37/1069989237.db2.gz MROIKDWLWBRPGZ-HNNXBMFYSA-N 1 2 452.343 3.896 20 0 JHADLO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307457898 1069996223 /nfs/dbraw/zinc/99/62/23/1069996223.db2.gz CANGVURSVCIVTP-JOCHJYFZSA-N 1 2 457.596 3.645 20 0 JHADLO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307457898 1069996238 /nfs/dbraw/zinc/99/62/38/1069996238.db2.gz CANGVURSVCIVTP-JOCHJYFZSA-N 1 2 457.596 3.645 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)c1 ZINC001307464737 1070000815 /nfs/dbraw/zinc/00/08/15/1070000815.db2.gz IUYKZPKRSQKRFF-JLTOFOAXSA-N 1 2 450.352 3.502 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2ncsc2c1 ZINC001312543572 1070003895 /nfs/dbraw/zinc/00/38/95/1070003895.db2.gz NTEMVAQSKDMBQO-WMZOPIPTSA-N 1 2 459.616 3.694 20 0 JHADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCCc4cc(Br)ccc43)CC2)cc1 ZINC001307572662 1070059507 /nfs/dbraw/zinc/05/95/07/1070059507.db2.gz DMDZGSSOMFMCCC-UHFFFAOYSA-N 1 2 458.400 3.555 20 0 JHADLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cc(Br)cn2C)c(OC)c1 ZINC001307582866 1070063983 /nfs/dbraw/zinc/06/39/83/1070063983.db2.gz JSKQMBPOHDUEJB-LJQANCHMSA-N 1 2 450.377 3.600 20 0 JHADLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cc(Br)cn2C)c(OC)c1 ZINC001307582866 1070063995 /nfs/dbraw/zinc/06/39/95/1070063995.db2.gz JSKQMBPOHDUEJB-LJQANCHMSA-N 1 2 450.377 3.600 20 0 JHADLO CCOCc1nnc(N(C)Cc2cccs2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001314308244 1070095929 /nfs/dbraw/zinc/09/59/29/1070095929.db2.gz CXIDDLHQSAXFTO-QFIPXVFZSA-N 1 2 455.628 3.894 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3CCC[C@H]3c3ccccc3)CC2)C1 ZINC001312768484 1070112789 /nfs/dbraw/zinc/11/27/89/1070112789.db2.gz PVEAKQITNMOWRM-VJBWXMMDSA-N 1 2 456.631 3.907 20 0 JHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001307673607 1070116951 /nfs/dbraw/zinc/11/69/51/1070116951.db2.gz AUTUVFTYKPKHBL-HXUWFJFHSA-N 1 2 451.583 3.774 20 0 JHADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001307673607 1070116954 /nfs/dbraw/zinc/11/69/54/1070116954.db2.gz AUTUVFTYKPKHBL-HXUWFJFHSA-N 1 2 451.583 3.774 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001307679274 1070121122 /nfs/dbraw/zinc/12/11/22/1070121122.db2.gz LPXXHQIIJOONMC-OAQYLSRUSA-N 1 2 459.484 3.936 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001307679274 1070121127 /nfs/dbraw/zinc/12/11/27/1070121127.db2.gz LPXXHQIIJOONMC-OAQYLSRUSA-N 1 2 459.484 3.936 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001314332058 1070125388 /nfs/dbraw/zinc/12/53/88/1070125388.db2.gz QREMTUZWQSPHIQ-UHFFFAOYSA-N 1 2 457.376 3.928 20 0 JHADLO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@H]1CCN(C2CCCCC2)C1=O ZINC001307687571 1070126419 /nfs/dbraw/zinc/12/64/19/1070126419.db2.gz FELZWDRTYSUORT-IBGZPJMESA-N 1 2 453.421 3.964 20 0 JHADLO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@H]1CCN(C2CCCCC2)C1=O ZINC001307687571 1070126424 /nfs/dbraw/zinc/12/64/24/1070126424.db2.gz FELZWDRTYSUORT-IBGZPJMESA-N 1 2 453.421 3.964 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[C@H](C)S(C)(=O)=O)cc1 ZINC001307726705 1070151324 /nfs/dbraw/zinc/15/13/24/1070151324.db2.gz HXALJESCVSMEMJ-GAJHUEQPSA-N 1 2 458.580 3.739 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001307732906 1070156083 /nfs/dbraw/zinc/15/60/83/1070156083.db2.gz SLWZECRRZSJTIT-KZNAEPCWSA-N 1 2 450.601 3.780 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001307732906 1070156091 /nfs/dbraw/zinc/15/60/91/1070156091.db2.gz SLWZECRRZSJTIT-KZNAEPCWSA-N 1 2 450.601 3.780 20 0 JHADLO O=C(NCCCC1(O)CCC1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001312883140 1070165430 /nfs/dbraw/zinc/16/54/30/1070165430.db2.gz GHWRZRWEPVODSB-UHFFFAOYSA-N 1 2 451.611 3.815 20 0 JHADLO CCOCc1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314353062 1070173196 /nfs/dbraw/zinc/17/31/96/1070173196.db2.gz GAYOWYJBFCVGPN-PGRDOPGGSA-N 1 2 451.587 3.729 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCCc1cccc(C)[nH+]1 ZINC001314360170 1070183685 /nfs/dbraw/zinc/18/36/85/1070183685.db2.gz JNWPQBJODJHGRB-NRFANRHFSA-N 1 2 477.613 3.709 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC001307803918 1070190565 /nfs/dbraw/zinc/19/05/65/1070190565.db2.gz UOWMWLGJFDDTGF-JOCHJYFZSA-N 1 2 456.340 3.740 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC001307803918 1070190572 /nfs/dbraw/zinc/19/05/72/1070190572.db2.gz UOWMWLGJFDDTGF-JOCHJYFZSA-N 1 2 456.340 3.740 20 0 JHADLO CCOC(=O)C1=C(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC001307833594 1070204952 /nfs/dbraw/zinc/20/49/52/1070204952.db2.gz CAGWDOHNHVLFKH-JOCHJYFZSA-N 1 2 459.493 3.684 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001307854571 1070212380 /nfs/dbraw/zinc/21/23/80/1070212380.db2.gz IMKIXOABXQAXBW-ROUUACIJSA-N 1 2 450.649 3.613 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CC1 ZINC001307879345 1070221363 /nfs/dbraw/zinc/22/13/63/1070221363.db2.gz KNYULOLYLYEONA-RUZDIDTESA-N 1 2 455.603 3.803 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885072 1070224809 /nfs/dbraw/zinc/22/48/09/1070224809.db2.gz FYMFZPMXSVPGBG-KZNAEPCWSA-N 1 2 452.983 3.600 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885072 1070224821 /nfs/dbraw/zinc/22/48/21/1070224821.db2.gz FYMFZPMXSVPGBG-KZNAEPCWSA-N 1 2 452.983 3.600 20 0 JHADLO CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307901036 1070231608 /nfs/dbraw/zinc/23/16/08/1070231608.db2.gz WNBZIZSSTORHKB-RHSMWYFYSA-N 1 2 459.559 3.801 20 0 JHADLO CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307901036 1070231622 /nfs/dbraw/zinc/23/16/22/1070231622.db2.gz WNBZIZSSTORHKB-RHSMWYFYSA-N 1 2 459.559 3.801 20 0 JHADLO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001307920277 1070242258 /nfs/dbraw/zinc/24/22/58/1070242258.db2.gz HZAUUUIIFXSJHA-ICSRJNTNSA-N 1 2 451.464 3.999 20 0 JHADLO Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001307920277 1070242262 /nfs/dbraw/zinc/24/22/62/1070242262.db2.gz HZAUUUIIFXSJHA-ICSRJNTNSA-N 1 2 451.464 3.999 20 0 JHADLO CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001313092645 1070248388 /nfs/dbraw/zinc/24/83/88/1070248388.db2.gz AHAZMUSKQKAGIQ-FQEVSTJZSA-N 1 2 456.612 3.871 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccc(OC)nc2)c2c[nH]c3ccccc32)cc1 ZINC001307922638 1070244284 /nfs/dbraw/zinc/24/42/84/1070244284.db2.gz WPQKCDRHQMBPEN-HSZRJFAPSA-N 1 2 458.562 3.960 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccc(OC)nc2)c2c[nH]c3ccccc32)cc1 ZINC001307922638 1070244296 /nfs/dbraw/zinc/24/42/96/1070244296.db2.gz WPQKCDRHQMBPEN-HSZRJFAPSA-N 1 2 458.562 3.960 20 0 JHADLO COc1cc2c(cc1OC)[C@H](NC(=O)NCc1cc[nH+]c(N3CCSCC3)c1)CCCC2 ZINC001313094119 1070249196 /nfs/dbraw/zinc/24/91/96/1070249196.db2.gz PZADWVPAAXVMCR-HXUWFJFHSA-N 1 2 456.612 3.919 20 0 JHADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939478 1070250095 /nfs/dbraw/zinc/25/00/95/1070250095.db2.gz PXWDEVUXEDBYOR-CZUORRHYSA-N 1 2 458.340 3.529 20 0 JHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939478 1070250110 /nfs/dbraw/zinc/25/01/10/1070250110.db2.gz PXWDEVUXEDBYOR-CZUORRHYSA-N 1 2 458.340 3.529 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCc1ccccc1C(F)(F)F ZINC001314399816 1070261443 /nfs/dbraw/zinc/26/14/43/1070261443.db2.gz FMCGWXLZDLKRLS-UHFFFAOYSA-N 1 2 478.519 3.695 20 0 JHADLO CCOCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314406966 1070270168 /nfs/dbraw/zinc/27/01/68/1070270168.db2.gz VDIMRSKVGOCNMY-KCWPFWIISA-N 1 2 485.673 3.838 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989622 1070272489 /nfs/dbraw/zinc/27/24/89/1070272489.db2.gz GROABNJQIORLHN-OFNKIYASSA-N 1 2 457.521 3.781 20 0 JHADLO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989622 1070272501 /nfs/dbraw/zinc/27/25/01/1070272501.db2.gz GROABNJQIORLHN-OFNKIYASSA-N 1 2 457.521 3.781 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001313169012 1070277678 /nfs/dbraw/zinc/27/76/78/1070277678.db2.gz UANRPOOVFBKEMS-XMMPIXPASA-N 1 2 453.558 3.639 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001313169012 1070277689 /nfs/dbraw/zinc/27/76/89/1070277689.db2.gz UANRPOOVFBKEMS-XMMPIXPASA-N 1 2 453.558 3.639 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166531 1070276925 /nfs/dbraw/zinc/27/69/25/1070276925.db2.gz BYDYKOGXZFQVEV-LOSJGSFVSA-N 1 2 451.611 3.789 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166531 1070276935 /nfs/dbraw/zinc/27/69/35/1070276935.db2.gz BYDYKOGXZFQVEV-LOSJGSFVSA-N 1 2 451.611 3.789 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169994 1070278896 /nfs/dbraw/zinc/27/88/96/1070278896.db2.gz PQOPSSZSORWSHE-DHIUTWEWSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169994 1070278906 /nfs/dbraw/zinc/27/89/06/1070278906.db2.gz PQOPSSZSORWSHE-DHIUTWEWSA-N 1 2 459.631 3.882 20 0 JHADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001313177911 1070282806 /nfs/dbraw/zinc/28/28/06/1070282806.db2.gz BHHVCRCQTBRVEK-XTQSJJPXSA-N 1 2 455.624 3.684 20 0 JHADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001313177911 1070282815 /nfs/dbraw/zinc/28/28/15/1070282815.db2.gz BHHVCRCQTBRVEK-XTQSJJPXSA-N 1 2 455.624 3.684 20 0 JHADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001308043796 1070290183 /nfs/dbraw/zinc/29/01/83/1070290183.db2.gz RWEDECUXWSTERP-UHFFFAOYSA-N 1 2 458.603 3.629 20 0 JHADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001308043796 1070290194 /nfs/dbraw/zinc/29/01/94/1070290194.db2.gz RWEDECUXWSTERP-UHFFFAOYSA-N 1 2 458.603 3.629 20 0 JHADLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)N(C)[C@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114237 1070318033 /nfs/dbraw/zinc/31/80/33/1070318033.db2.gz XCYODYDZEXXUFZ-UUOWRZLLSA-N 1 2 458.990 3.783 20 0 JHADLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)N(C)[C@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114237 1070318054 /nfs/dbraw/zinc/31/80/54/1070318054.db2.gz XCYODYDZEXXUFZ-UUOWRZLLSA-N 1 2 458.990 3.783 20 0 JHADLO CCc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C2 ZINC001308170221 1070335071 /nfs/dbraw/zinc/33/50/71/1070335071.db2.gz JVSDBQCYHUJECN-HNNXBMFYSA-N 1 2 450.004 3.538 20 0 JHADLO CCc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C2 ZINC001308170221 1070335092 /nfs/dbraw/zinc/33/50/92/1070335092.db2.gz JVSDBQCYHUJECN-HNNXBMFYSA-N 1 2 450.004 3.538 20 0 JHADLO CCOCCCCn1c(-c2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314450764 1070346583 /nfs/dbraw/zinc/34/65/83/1070346583.db2.gz RGBWYLFPJAIOAY-UHFFFAOYSA-N 1 2 450.587 3.794 20 0 JHADLO CC[NH+](CC)Cc1nc(C2(NCc3cc(Br)c(O)c(OC)c3)CCCC2)no1 ZINC001308264563 1070348677 /nfs/dbraw/zinc/34/86/77/1070348677.db2.gz RJSOOUPTKCPGRN-UHFFFAOYSA-N 1 2 453.381 3.947 20 0 JHADLO O=C(N[C@H]1CCOCC12CCCC2)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001313415787 1070352727 /nfs/dbraw/zinc/35/27/27/1070352727.db2.gz FMEMNLGVMTVBJD-KRWDZBQOSA-N 1 2 451.365 3.800 20 0 JHADLO Cn1cc([C@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c2ccccc2)cn1 ZINC001308369997 1070362531 /nfs/dbraw/zinc/36/25/31/1070362531.db2.gz VVQQXMUDSGYBPN-HSZRJFAPSA-N 1 2 451.571 3.949 20 0 JHADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3cccc(Br)c3F)c2)CC1 ZINC001308398087 1070369057 /nfs/dbraw/zinc/36/90/57/1070369057.db2.gz WCCQVPOROUWEKD-UHFFFAOYSA-N 1 2 456.381 3.527 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC001308576993 1070393454 /nfs/dbraw/zinc/39/34/54/1070393454.db2.gz MHRZPKAFLNOGKX-OAQYLSRUSA-N 1 2 453.587 3.945 20 0 JHADLO CCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314480878 1070393255 /nfs/dbraw/zinc/39/32/55/1070393255.db2.gz ZFGIBRCAVHXQHC-KRWDZBQOSA-N 1 2 454.550 3.617 20 0 JHADLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001308654782 1070411725 /nfs/dbraw/zinc/41/17/25/1070411725.db2.gz KFNLHUISKCEOTE-UHFFFAOYSA-N 1 2 455.580 3.864 20 0 JHADLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001308654782 1070411729 /nfs/dbraw/zinc/41/17/29/1070411729.db2.gz KFNLHUISKCEOTE-UHFFFAOYSA-N 1 2 455.580 3.864 20 0 JHADLO COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308631322 1070407615 /nfs/dbraw/zinc/40/76/15/1070407615.db2.gz CJIYJCOMLFTVHG-ROUUACIJSA-N 1 2 450.576 3.714 20 0 JHADLO COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308631322 1070407620 /nfs/dbraw/zinc/40/76/20/1070407620.db2.gz CJIYJCOMLFTVHG-ROUUACIJSA-N 1 2 450.576 3.714 20 0 JHADLO COC(=O)N1CCN(c2ccc(N[C@@H](C)Cc3ccc(Br)c(F)c3)c[nH+]2)CC1 ZINC001308777471 1070436627 /nfs/dbraw/zinc/43/66/27/1070436627.db2.gz AGLAJZQSUUIDTM-AWEZNQCLSA-N 1 2 451.340 3.915 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842109 1070446726 /nfs/dbraw/zinc/44/67/26/1070446726.db2.gz PXNPYVFAWMQAJP-MWDXBVQZSA-N 1 2 453.605 3.918 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842109 1070446732 /nfs/dbraw/zinc/44/67/32/1070446732.db2.gz PXNPYVFAWMQAJP-MWDXBVQZSA-N 1 2 453.605 3.918 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001313468179 1070446749 /nfs/dbraw/zinc/44/67/49/1070446749.db2.gz JCQYJVPKFXVZTL-UHFFFAOYSA-N 1 2 467.662 3.752 20 0 JHADLO CN(CCOCC[N@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)OC(C)(C)C ZINC001308869820 1070452455 /nfs/dbraw/zinc/45/24/55/1070452455.db2.gz PZQUVHNSOMZFPX-UHFFFAOYSA-N 1 2 458.390 3.889 20 0 JHADLO CN(CCOCC[N@@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)OC(C)(C)C ZINC001308869820 1070452461 /nfs/dbraw/zinc/45/24/61/1070452461.db2.gz PZQUVHNSOMZFPX-UHFFFAOYSA-N 1 2 458.390 3.889 20 0 JHADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001308957881 1070466215 /nfs/dbraw/zinc/46/62/15/1070466215.db2.gz AFQGGZFCZBDVDY-ZDUSSCGKSA-N 1 2 455.784 3.739 20 0 JHADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001308957881 1070466222 /nfs/dbraw/zinc/46/62/22/1070466222.db2.gz AFQGGZFCZBDVDY-ZDUSSCGKSA-N 1 2 455.784 3.739 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314512716 1070476184 /nfs/dbraw/zinc/47/61/84/1070476184.db2.gz KWDQKFHFRQVEDY-QGZVFWFLSA-N 1 2 487.029 3.748 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314513801 1070480630 /nfs/dbraw/zinc/48/06/30/1070480630.db2.gz FLBHIJMFXXMWLC-AEFFLSMTSA-N 1 2 453.678 3.560 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(C)(C)O)cc1OC ZINC001313506952 1070551140 /nfs/dbraw/zinc/55/11/40/1070551140.db2.gz VFUHKGZUMSXFPJ-UHFFFAOYSA-N 1 2 480.613 3.625 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314604240 1070660012 /nfs/dbraw/zinc/66/00/12/1070660012.db2.gz LWSODVKLMHQATB-IFMALSPDSA-N 1 2 473.687 3.710 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001314607305 1070666098 /nfs/dbraw/zinc/66/60/98/1070666098.db2.gz LHPIAEFWTDYZPP-URXFXBBRSA-N 1 2 487.714 3.905 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001314607305 1070666105 /nfs/dbraw/zinc/66/61/05/1070666105.db2.gz LHPIAEFWTDYZPP-URXFXBBRSA-N 1 2 487.714 3.905 20 0 JHADLO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1)C(C)C ZINC001313577159 1070694244 /nfs/dbraw/zinc/69/42/44/1070694244.db2.gz KSXOMEJUGXHPGZ-UHFFFAOYSA-N 1 2 465.989 3.987 20 0 JHADLO CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313580570 1070699999 /nfs/dbraw/zinc/69/99/99/1070699999.db2.gz NPSAXCACIPWYHG-SHQCIBLASA-N 1 2 485.673 3.935 20 0 JHADLO Cc1nc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1Br ZINC001309333667 1070705338 /nfs/dbraw/zinc/70/53/38/1070705338.db2.gz BZTSACUAMKLILL-OAHLLOKOSA-N 1 2 455.403 3.747 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001314623574 1070706068 /nfs/dbraw/zinc/70/60/68/1070706068.db2.gz GAAHSAZPFYHXIQ-LJQANCHMSA-N 1 2 467.618 3.912 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1Br ZINC001309394256 1070743512 /nfs/dbraw/zinc/74/35/12/1070743512.db2.gz DRCOSHMRSFPDIS-KRWDZBQOSA-N 1 2 455.443 3.653 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1Br ZINC001309394256 1070743521 /nfs/dbraw/zinc/74/35/21/1070743521.db2.gz DRCOSHMRSFPDIS-KRWDZBQOSA-N 1 2 455.443 3.653 20 0 JHADLO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1)c1c(F)cccc1F ZINC001314651939 1070761850 /nfs/dbraw/zinc/76/18/50/1070761850.db2.gz SYIGFEPOFDEXHQ-SFTDATJTSA-N 1 2 490.599 3.583 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C)c1ccsc1 ZINC001314652954 1070764676 /nfs/dbraw/zinc/76/46/76/1070764676.db2.gz KMCVTADIWISDSB-IBGZPJMESA-N 1 2 479.716 3.878 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC001314661553 1070786323 /nfs/dbraw/zinc/78/63/23/1070786323.db2.gz OXJKHSDZZXSBRW-UHFFFAOYSA-N 1 2 470.503 3.843 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3c(F)cccc3F)n1CCCOC(F)F)C2 ZINC001314664176 1070793803 /nfs/dbraw/zinc/79/38/03/1070793803.db2.gz MWGPSMTZPGZJHE-UHFFFAOYSA-N 1 2 478.494 3.800 20 0 JHADLO CCN(CC)C(=O)CCCn1c(Cc2ccccc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001313646969 1070809506 /nfs/dbraw/zinc/80/95/06/1070809506.db2.gz YVAXTPIRIGTDDT-UHFFFAOYSA-N 1 2 489.668 3.850 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(F)(F)F)CC1 ZINC001313648385 1070815889 /nfs/dbraw/zinc/81/58/89/1070815889.db2.gz OJIOWJHYDKJANE-UHFFFAOYSA-N 1 2 486.970 3.931 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(Cl)c1 ZINC001309640894 1070897040 /nfs/dbraw/zinc/89/70/40/1070897040.db2.gz IGDLDHXEVHTHCQ-GVDBMIGSSA-N 1 2 450.988 3.799 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(Cl)c1 ZINC001309640894 1070897058 /nfs/dbraw/zinc/89/70/58/1070897058.db2.gz IGDLDHXEVHTHCQ-GVDBMIGSSA-N 1 2 450.988 3.799 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001313677934 1070927672 /nfs/dbraw/zinc/92/76/72/1070927672.db2.gz BCNRDDUCLIFKTK-RBBKRZOGSA-N 1 2 497.688 3.798 20 0 JHADLO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314725049 1070927736 /nfs/dbraw/zinc/92/77/36/1070927736.db2.gz WOJPEPWVKIHXLU-LJQANCHMSA-N 1 2 467.536 3.684 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)c[nH+]1 ZINC001313677530 1070925366 /nfs/dbraw/zinc/92/53/66/1070925366.db2.gz SLXVMEFSYOAQSJ-UHFFFAOYSA-N 1 2 475.519 3.523 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC001313678039 1070927579 /nfs/dbraw/zinc/92/75/79/1070927579.db2.gz BBBCFDGVQOFMJK-RTWAWAEBSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(=O)OC)C2)c[nH+]1 ZINC001313678295 1070928595 /nfs/dbraw/zinc/92/85/95/1070928595.db2.gz HFZHINHHSSFUCX-QZNHQXDQSA-N 1 2 498.672 3.876 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CCOC[C@@H]2C)c[nH+]1 ZINC001313679229 1070933825 /nfs/dbraw/zinc/93/38/25/1070933825.db2.gz OXRNUIZYFIFIRF-SFHVURJKSA-N 1 2 454.550 3.511 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c[nH+]1 ZINC001313679224 1070933856 /nfs/dbraw/zinc/93/38/56/1070933856.db2.gz OUJVEHNAIOHTPB-UHFFFAOYSA-N 1 2 481.689 3.995 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313683516 1070944302 /nfs/dbraw/zinc/94/43/02/1070944302.db2.gz FEFSDAUQMMMNFF-MSOLQXFVSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313683516 1070944305 /nfs/dbraw/zinc/94/43/05/1070944305.db2.gz FEFSDAUQMMMNFF-MSOLQXFVSA-N 1 2 468.581 3.904 20 0 JHADLO CN(Cc1ccccn1)c1nnc(-c2cc(Br)c[nH]2)n1CCCNc1cccc[nH+]1 ZINC001314750998 1071003584 /nfs/dbraw/zinc/00/35/84/1071003584.db2.gz RPTSZQRYQDANAJ-UHFFFAOYSA-N 1 2 467.375 3.964 20 0 JHADLO CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313735591 1071056616 /nfs/dbraw/zinc/05/66/16/1071056616.db2.gz BIIOCTQIDHCOSX-UHFFFAOYSA-N 1 2 450.587 3.717 20 0 JHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033768 1071073168 /nfs/dbraw/zinc/07/31/68/1071073168.db2.gz GDNRXGJLQLBJKI-GHTZIAJQSA-N 1 2 455.628 3.730 20 0 JHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033768 1071073172 /nfs/dbraw/zinc/07/31/72/1071073172.db2.gz GDNRXGJLQLBJKI-GHTZIAJQSA-N 1 2 455.628 3.730 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CCc1scnc1C ZINC001313780114 1071144238 /nfs/dbraw/zinc/14/42/38/1071144238.db2.gz WETGGLMUBMHFFT-UHFFFAOYSA-N 1 2 496.685 3.562 20 0 JHADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001310138391 1071147067 /nfs/dbraw/zinc/14/70/67/1071147067.db2.gz CPIZXIXLEQDDER-CYGHRXIMSA-N 1 2 457.493 3.501 20 0 JHADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001310138391 1071147071 /nfs/dbraw/zinc/14/70/71/1071147071.db2.gz CPIZXIXLEQDDER-CYGHRXIMSA-N 1 2 457.493 3.501 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313783149 1071149226 /nfs/dbraw/zinc/14/92/26/1071149226.db2.gz QRLNNSIZGSKMHY-RTWAWAEBSA-N 1 2 499.660 3.865 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001313781539 1071146182 /nfs/dbraw/zinc/14/61/82/1071146182.db2.gz RDPXFJHGYMGTOM-DENIHFKCSA-N 1 2 470.568 3.850 20 0 JHADLO CN(CCC(F)F)c1nnc(CNC(=O)c2cccs2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314827806 1071154051 /nfs/dbraw/zinc/15/40/51/1071154051.db2.gz OXNJHCNSYJZEHC-UHFFFAOYSA-N 1 2 489.596 3.795 20 0 JHADLO CCN(CCn1c(C2CCC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001313814001 1071257102 /nfs/dbraw/zinc/25/71/02/1071257102.db2.gz ATYXZJYLZPBPIS-UHFFFAOYSA-N 1 2 455.607 3.524 20 0 JHADLO CCN(CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(=O)OC(C)(C)C ZINC001313819085 1071272128 /nfs/dbraw/zinc/27/21/28/1071272128.db2.gz WALCHTXPLAGXNK-UHFFFAOYSA-N 1 2 491.706 3.821 20 0 JHADLO CN(CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)CC(F)(F)F ZINC001314867616 1071274537 /nfs/dbraw/zinc/27/45/37/1071274537.db2.gz BMTZTPURTXHSLH-LJQANCHMSA-N 1 2 486.970 3.599 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(C(F)(F)F)c1 ZINC001314869843 1071279306 /nfs/dbraw/zinc/27/93/06/1071279306.db2.gz HZMOZOWYLYXOAO-UHFFFAOYSA-N 1 2 498.912 3.968 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC(F)(F)C1 ZINC001314869777 1071279369 /nfs/dbraw/zinc/27/93/69/1071279369.db2.gz GPHRHZNKPVYFRG-MRXNPFEDSA-N 1 2 471.499 3.750 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(F)(F)C1 ZINC001314871947 1071284927 /nfs/dbraw/zinc/28/49/27/1071284927.db2.gz SPHYJTTUMNGHJB-OALUTQOASA-N 1 2 498.619 3.554 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1Cc1cc(Br)cs1 ZINC001314872559 1071287103 /nfs/dbraw/zinc/28/71/03/1071287103.db2.gz YDXBRUIKAGLFMB-UHFFFAOYSA-N 1 2 480.407 3.725 20 0 JHADLO CN(CCOC(C)(C)C)c1nnc(-c2cccn2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314876060 1071293038 /nfs/dbraw/zinc/29/30/38/1071293038.db2.gz IORRWOWTLXQENM-UHFFFAOYSA-N 1 2 451.619 3.969 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310313244 1071294848 /nfs/dbraw/zinc/29/48/48/1071294848.db2.gz SCGKQQNCNLGNDL-XMMPIXPASA-N 1 2 459.974 3.656 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310313244 1071294865 /nfs/dbraw/zinc/29/48/65/1071294865.db2.gz SCGKQQNCNLGNDL-XMMPIXPASA-N 1 2 459.974 3.656 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001310313978 1071295300 /nfs/dbraw/zinc/29/53/00/1071295300.db2.gz JYNMDCWMMOFODS-QGZVFWFLSA-N 1 2 453.914 3.611 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001314874086 1071291656 /nfs/dbraw/zinc/29/16/56/1071291656.db2.gz MOCXIXFPLZBSTE-UHFFFAOYSA-N 1 2 483.579 3.762 20 0 JHADLO Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC001310325829 1071308914 /nfs/dbraw/zinc/30/89/14/1071308914.db2.gz RHWSJYGAEDTDOJ-HSZRJFAPSA-N 1 2 455.599 3.854 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(OCC4CCOCC4)cc3)C2)c1 ZINC001310326399 1071309349 /nfs/dbraw/zinc/30/93/49/1071309349.db2.gz SXAOERXSIPADPL-VWLOTQADSA-N 1 2 453.583 3.823 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(OCC4CCOCC4)cc3)C2)c1 ZINC001310326399 1071309363 /nfs/dbraw/zinc/30/93/63/1071309363.db2.gz SXAOERXSIPADPL-VWLOTQADSA-N 1 2 453.583 3.823 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(Cl)cc2I)n1 ZINC001310398864 1071367797 /nfs/dbraw/zinc/36/77/97/1071367797.db2.gz GJBDBSSSYNLIIU-UHFFFAOYSA-N 1 2 450.733 3.784 20 0 JHADLO CN1CC[N@H+](CCn2c(COc3ccccc3F)nnc2N2CCCCCCC2)CC1(C)C ZINC001314931756 1071377138 /nfs/dbraw/zinc/37/71/38/1071377138.db2.gz VFVWOTAYOAGJAK-UHFFFAOYSA-N 1 2 458.626 3.793 20 0 JHADLO CN1CC[N@@H+](CCn2c(COc3ccccc3F)nnc2N2CCCCCCC2)CC1(C)C ZINC001314931756 1071377148 /nfs/dbraw/zinc/37/71/48/1071377148.db2.gz VFVWOTAYOAGJAK-UHFFFAOYSA-N 1 2 458.626 3.793 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)[nH+]1 ZINC001314953654 1071425067 /nfs/dbraw/zinc/42/50/67/1071425067.db2.gz XMCUCRGRXORAGG-MRXNPFEDSA-N 1 2 485.430 3.862 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314954927 1071428683 /nfs/dbraw/zinc/42/86/83/1071428683.db2.gz YEWCLKVOEZWQLM-FQEVSTJZSA-N 1 2 491.640 3.596 20 0 JHADLO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001314991742 1071507104 /nfs/dbraw/zinc/50/71/04/1071507104.db2.gz XZOKCPRRHKLTDI-LJQANCHMSA-N 1 2 452.990 3.897 20 0 JHADLO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001313914499 1071547399 /nfs/dbraw/zinc/54/73/99/1071547399.db2.gz YQKQOYDHCVZROM-UHFFFAOYSA-N 1 2 452.990 3.993 20 0 JHADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CCCC(C)C)C2)CC1 ZINC001313943872 1071623737 /nfs/dbraw/zinc/62/37/37/1071623737.db2.gz WSVGGOYHILLZNW-XMMPIXPASA-N 1 2 481.689 3.800 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001314014832 1071755069 /nfs/dbraw/zinc/75/50/69/1071755069.db2.gz VGTZSDBNKRNZAM-UHFFFAOYSA-N 1 2 477.613 3.820 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314015943 1071758215 /nfs/dbraw/zinc/75/82/15/1071758215.db2.gz DCXZJTZXGPNRHY-APWZRJJASA-N 1 2 464.561 3.651 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001314019647 1071768864 /nfs/dbraw/zinc/76/88/64/1071768864.db2.gz ZXNQIFQRFPOBHZ-UHFFFAOYSA-N 1 2 469.634 3.577 20 0 JHADLO CCO[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314098417 1071979461 /nfs/dbraw/zinc/97/94/61/1071979461.db2.gz IVFIVIRGYUYROX-RUZDIDTESA-N 1 2 457.619 3.660 20 0 JHADLO CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)s1 ZINC001305962462 1068294703 /nfs/dbraw/zinc/29/47/03/1068294703.db2.gz RJFSMOJRCORJJT-RTBURBONSA-N 1 2 458.676 3.597 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)s1 ZINC001306002289 1068374974 /nfs/dbraw/zinc/37/49/74/1068374974.db2.gz ITDOUFKKXVSVIL-NVXWUHKLSA-N 1 2 455.632 3.780 20 0 JHADLO CCc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)no1 ZINC001306021826 1068413343 /nfs/dbraw/zinc/41/33/43/1068413343.db2.gz UKUOAXWCSPHASO-UHFFFAOYSA-N 1 2 485.608 3.525 20 0 JHADLO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001306108034 1068521156 /nfs/dbraw/zinc/52/11/56/1068521156.db2.gz FTWSGXFODLWKTB-WMZOPIPTSA-N 1 2 452.525 3.676 20 0 JHADLO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CCCNc1cccc[nH+]1 ZINC001306144957 1068548176 /nfs/dbraw/zinc/54/81/76/1068548176.db2.gz UVIHTYDZERSTKO-MOPGFXCFSA-N 1 2 457.623 3.867 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001306164322 1068559740 /nfs/dbraw/zinc/55/97/40/1068559740.db2.gz HTEQRBHHWWRMMR-OAQYLSRUSA-N 1 2 467.662 3.653 20 0 JHADLO CCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306170076 1068564903 /nfs/dbraw/zinc/56/49/03/1068564903.db2.gz UTMPLBOIFNORGB-IBGZPJMESA-N 1 2 453.566 3.712 20 0 JHADLO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306185403 1068575853 /nfs/dbraw/zinc/57/58/53/1068575853.db2.gz VZBSVHCQZHVADL-PKTZIBPZSA-N 1 2 498.672 3.716 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306278302 1068692339 /nfs/dbraw/zinc/69/23/39/1068692339.db2.gz SNKQHHAVLKMXDG-RLLQIKCJSA-N 1 2 486.617 3.663 20 0 JHADLO CC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306449626 1068967620 /nfs/dbraw/zinc/96/76/20/1068967620.db2.gz KCSOSZLOBADKCX-UGKGYDQZSA-N 1 2 464.614 3.585 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306454726 1068977382 /nfs/dbraw/zinc/97/73/82/1068977382.db2.gz WCQQYONKYUJAOP-IFMALSPDSA-N 1 2 464.614 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001306455671 1068979079 /nfs/dbraw/zinc/97/90/79/1068979079.db2.gz QDWQMULQLBTNIM-RTWAWAEBSA-N 1 2 459.660 3.526 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306456356 1068981080 /nfs/dbraw/zinc/98/10/80/1068981080.db2.gz BVMBERKXUBYARQ-LLMJNHHCSA-N 1 2 456.635 3.710 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306465458 1069003530 /nfs/dbraw/zinc/00/35/30/1069003530.db2.gz OLVCSKAZPRUNAD-LAUDKDLHSA-N 1 2 466.674 3.705 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306468499 1069009911 /nfs/dbraw/zinc/00/99/11/1069009911.db2.gz WIPRQSMCYZLSQM-SNAWJCMRSA-N 1 2 452.372 3.581 20 0 JHADLO CC/C=C/Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306485999 1069025178 /nfs/dbraw/zinc/02/51/78/1069025178.db2.gz PSWUIGPSMNLZIK-YQTDCCHMSA-N 1 2 480.657 3.573 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306505058 1069080130 /nfs/dbraw/zinc/08/01/30/1069080130.db2.gz LYQSWXHEYDYVOP-YZUZCNPQSA-N 1 2 497.688 3.591 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001306511286 1069105032 /nfs/dbraw/zinc/10/50/32/1069105032.db2.gz YAIVINPODKTFQY-QFIPXVFZSA-N 1 2 499.610 3.750 20 0 JHADLO CS(=O)(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC001310748434 1069149341 /nfs/dbraw/zinc/14/93/41/1069149341.db2.gz SMMWNZQTIYWEKI-INIZCTEOSA-N 1 2 459.465 3.644 20 0 JHADLO CS(=O)(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC001310748434 1069149348 /nfs/dbraw/zinc/14/93/48/1069149348.db2.gz SMMWNZQTIYWEKI-INIZCTEOSA-N 1 2 459.465 3.644 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306563278 1069232039 /nfs/dbraw/zinc/23/20/39/1069232039.db2.gz QFYANPNMMIIZHG-SFTDATJTSA-N 1 2 463.630 3.805 20 0 JHADLO CCC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306591077 1069260541 /nfs/dbraw/zinc/26/05/41/1069260541.db2.gz VNMOWHRQCYLYDT-HXUWFJFHSA-N 1 2 466.634 3.647 20 0 JHADLO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001306595318 1069268202 /nfs/dbraw/zinc/26/82/02/1069268202.db2.gz JSNNTUJYAGQBJG-UHFFFAOYSA-N 1 2 495.676 3.558 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1 ZINC001311219023 1069300183 /nfs/dbraw/zinc/30/01/83/1069300183.db2.gz QQTUNFSWAXPZNI-IBGZPJMESA-N 1 2 454.571 3.792 20 0 JHADLO COc1ccc2c(c1)c(CC(=O)OCC[NH+]1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000026718267 563033794 /nfs/dbraw/zinc/03/37/94/563033794.db2.gz GHUSVRWGRFRAKM-UHFFFAOYSA-N 1 2 470.953 3.718 20 0 JHADLO Nc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cnc1Cl ZINC001164416951 718890429 /nfs/dbraw/zinc/89/04/29/718890429.db2.gz GPNRODGUUXIBKZ-CYBMUJFWSA-N 1 2 458.694 3.850 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4C[C@]43C(=O)OCC)c2c1C ZINC001164623192 719041914 /nfs/dbraw/zinc/04/19/14/719041914.db2.gz MMUFWFPBCLPHFD-UPCLLVRISA-N 1 2 472.611 3.694 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)cc1 ZINC001164698790 719830171 /nfs/dbraw/zinc/83/01/71/719830171.db2.gz USQHRZKKJLVXDY-UHFFFAOYSA-N 1 2 472.927 3.766 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001164704332 719876713 /nfs/dbraw/zinc/87/67/13/719876713.db2.gz LAEGTLJOVUDFIU-OYHNWAKOSA-N 1 2 483.371 3.822 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164700327 719880718 /nfs/dbraw/zinc/88/07/18/719880718.db2.gz JWMFRMNTCIWGPB-KSFYIVLOSA-N 1 2 471.976 3.782 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(C)(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164819329 720379662 /nfs/dbraw/zinc/37/96/62/720379662.db2.gz CTCCJNNDQGTYSI-UHFFFAOYSA-N 1 2 477.078 3.814 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(C)(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164819329 720379669 /nfs/dbraw/zinc/37/96/69/720379669.db2.gz CTCCJNNDQGTYSI-UHFFFAOYSA-N 1 2 477.078 3.814 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164826394 720447271 /nfs/dbraw/zinc/44/72/71/720447271.db2.gz WCDMKCUCWVZLIK-GOSISDBHSA-N 1 2 491.970 3.619 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@@H]54)c3C2)cc1 ZINC001164845689 720770993 /nfs/dbraw/zinc/77/09/93/720770993.db2.gz GEIYVSQJPGPBFO-YGPDHOBYSA-N 1 2 471.605 3.773 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@@H]54)c3C2)cc1 ZINC001164845689 720771002 /nfs/dbraw/zinc/77/10/02/720771002.db2.gz GEIYVSQJPGPBFO-YGPDHOBYSA-N 1 2 471.605 3.773 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760864 721026614 /nfs/dbraw/zinc/02/66/14/721026614.db2.gz QBKDBAIMHIOKLK-UFHPHHKVSA-N 1 2 471.605 3.775 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760864 721026619 /nfs/dbraw/zinc/02/66/19/721026619.db2.gz QBKDBAIMHIOKLK-UFHPHHKVSA-N 1 2 471.605 3.775 20 0 JHADLO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878160 721255400 /nfs/dbraw/zinc/25/54/00/721255400.db2.gz SSNGHQKARZMLMO-SETSBSEESA-N 1 2 497.643 3.983 20 0 JHADLO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878160 721255410 /nfs/dbraw/zinc/25/54/10/721255410.db2.gz SSNGHQKARZMLMO-SETSBSEESA-N 1 2 497.643 3.983 20 0 JHADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164764604 721272619 /nfs/dbraw/zinc/27/26/19/721272619.db2.gz HMZBIEZBTBELJX-CYBMUJFWSA-N 1 2 452.918 3.704 20 0 JHADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766259 721274757 /nfs/dbraw/zinc/27/47/57/721274757.db2.gz ASFGCRUJMCHZSP-CQSZACIVSA-N 1 2 457.872 3.530 20 0 JHADLO O=S(=O)(Nc1ccc(F)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1)c1ccc(Cl)nc1 ZINC001164788296 721431324 /nfs/dbraw/zinc/43/13/24/721431324.db2.gz SVHOALUUMCDJDZ-GASCZTMLSA-N 1 2 494.017 3.700 20 0 JHADLO O=S(=O)(Nc1ccc(F)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1)c1ccc(Cl)nc1 ZINC001164788296 721431327 /nfs/dbraw/zinc/43/13/27/721431327.db2.gz SVHOALUUMCDJDZ-GASCZTMLSA-N 1 2 494.017 3.700 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001165008902 721712773 /nfs/dbraw/zinc/71/27/73/721712773.db2.gz KQCVHHGYVRPZIM-UHFFFAOYSA-N 1 2 462.936 3.579 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001165008902 721712782 /nfs/dbraw/zinc/71/27/82/721712782.db2.gz KQCVHHGYVRPZIM-UHFFFAOYSA-N 1 2 462.936 3.579 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165009296 721716542 /nfs/dbraw/zinc/71/65/42/721716542.db2.gz SMIZNEVQYDIVIP-JOCHJYFZSA-N 1 2 459.957 3.767 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165009296 721716546 /nfs/dbraw/zinc/71/65/46/721716546.db2.gz SMIZNEVQYDIVIP-JOCHJYFZSA-N 1 2 459.957 3.767 20 0 JHADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C5CCCCC5)[nH+]c(C)n4)CCO3)C2)cs1 ZINC001164922965 721831478 /nfs/dbraw/zinc/83/14/78/721831478.db2.gz PTNGEFJIOSRDCO-XMMPIXPASA-N 1 2 457.644 3.705 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001165051875 721993345 /nfs/dbraw/zinc/99/33/45/721993345.db2.gz ODZFQGWXWKAQCD-QFIPXVFZSA-N 1 2 464.610 3.598 20 0 JHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC001311283689 1069315840 /nfs/dbraw/zinc/31/58/40/1069315840.db2.gz CIFGTOPJIXIOBB-AZUAARDMSA-N 1 2 454.493 3.851 20 0 JHADLO CCC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001306627230 1069323102 /nfs/dbraw/zinc/32/31/02/1069323102.db2.gz SXNHNZPZYJBQOD-DENIHFKCSA-N 1 2 470.568 3.850 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311373423 1069348988 /nfs/dbraw/zinc/34/89/88/1069348988.db2.gz KMULULMITJVRKL-QFBILLFUSA-N 1 2 454.974 3.878 20 0 JHADLO CCCCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306676551 1069400933 /nfs/dbraw/zinc/40/09/33/1069400933.db2.gz IYYOALQANPSXQS-UHFFFAOYSA-N 1 2 467.574 3.879 20 0 JHADLO CCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306678332 1069403070 /nfs/dbraw/zinc/40/30/70/1069403070.db2.gz OGNXYPJZNRNSDI-NRFANRHFSA-N 1 2 499.660 3.866 20 0 JHADLO CCCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)CC[NH+]2CCOCC2)c(C)n1 ZINC001306717070 1069449299 /nfs/dbraw/zinc/44/92/99/1069449299.db2.gz IWOHHMGRZBKVQL-UHFFFAOYSA-N 1 2 472.037 3.720 20 0 JHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311598740 1069458578 /nfs/dbraw/zinc/45/85/78/1069458578.db2.gz UKCTWTZPEZEOHR-YOEHRIQHSA-N 1 2 459.348 3.555 20 0 JHADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306735840 1069501397 /nfs/dbraw/zinc/50/13/97/1069501397.db2.gz FNQPPEFAFPFRIJ-QFIPXVFZSA-N 1 2 467.662 3.968 20 0 JHADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001311729374 1069524628 /nfs/dbraw/zinc/52/46/28/1069524628.db2.gz YYUQOFLLPQAVTI-FQEVSTJZSA-N 1 2 451.489 3.543 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@H]1CC=CCC1 ZINC001311737057 1069527919 /nfs/dbraw/zinc/52/79/19/1069527919.db2.gz SRGRLONPBIDTCT-LPHOPBHVSA-N 1 2 453.368 3.911 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@H]1CC=CCC1 ZINC001311737057 1069527929 /nfs/dbraw/zinc/52/79/29/1069527929.db2.gz SRGRLONPBIDTCT-LPHOPBHVSA-N 1 2 453.368 3.911 20 0 JHADLO O=C(CCNC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001311755496 1069533908 /nfs/dbraw/zinc/53/39/08/1069533908.db2.gz WIYCENYJGSOXNH-OAQYLSRUSA-N 1 2 455.990 3.711 20 0 JHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC001311765702 1069538198 /nfs/dbraw/zinc/53/81/98/1069538198.db2.gz NXGCKDAKEGBXPO-UHFFFAOYSA-N 1 2 455.603 3.571 20 0 JHADLO C[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311783707 1069544642 /nfs/dbraw/zinc/54/46/42/1069544642.db2.gz MCNRFPMXLKIEHH-WZONZLPQSA-N 1 2 451.546 3.785 20 0 JHADLO CCCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001306792651 1069599111 /nfs/dbraw/zinc/59/91/11/1069599111.db2.gz WEEHYULIWOMKKF-UHFFFAOYSA-N 1 2 468.627 3.628 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953840 1069632517 /nfs/dbraw/zinc/63/25/17/1069632517.db2.gz NMXJFTYAKIDFQR-RBUKOAKNSA-N 1 2 454.974 3.706 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953840 1069632518 /nfs/dbraw/zinc/63/25/18/1069632518.db2.gz NMXJFTYAKIDFQR-RBUKOAKNSA-N 1 2 454.974 3.706 20 0 JHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCn2nc(C(F)(F)F)cc2C1 ZINC001311955397 1069634722 /nfs/dbraw/zinc/63/47/22/1069634722.db2.gz UUGCCOUTSBMZLK-OAHLLOKOSA-N 1 2 459.875 3.884 20 0 JHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCn2nc(C(F)(F)F)cc2C1 ZINC001311955397 1069634725 /nfs/dbraw/zinc/63/47/25/1069634725.db2.gz UUGCCOUTSBMZLK-OAHLLOKOSA-N 1 2 459.875 3.884 20 0 JHADLO CCCN(CCC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306814837 1069636354 /nfs/dbraw/zinc/63/63/54/1069636354.db2.gz DEKAVJXDYAIPLU-UHFFFAOYSA-N 1 2 488.434 3.942 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001311958927 1069636498 /nfs/dbraw/zinc/63/64/98/1069636498.db2.gz MZDZIWRLJOIMRG-XUZZJYLKSA-N 1 2 454.590 3.727 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001311958928 1069636650 /nfs/dbraw/zinc/63/66/50/1069636650.db2.gz MZDZIWRLJOIMRG-ZJSXRUAMSA-N 1 2 454.590 3.727 20 0 JHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001311974260 1069645037 /nfs/dbraw/zinc/64/50/37/1069645037.db2.gz YCZUVRVVIVIRCK-SIKLNZKXSA-N 1 2 453.587 3.736 20 0 JHADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC001306887701 1069674608 /nfs/dbraw/zinc/67/46/08/1069674608.db2.gz ICXWILLXMKRJML-RTWAWAEBSA-N 1 2 451.405 3.773 20 0 JHADLO CCNC(=O)c1cccc(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)c1 ZINC001306932895 1069685438 /nfs/dbraw/zinc/68/54/38/1069685438.db2.gz QDSCBPKLDANAKE-UHFFFAOYSA-N 1 2 451.328 3.940 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042482 1069689103 /nfs/dbraw/zinc/68/91/03/1069689103.db2.gz YSXOYPXLHQYLDR-VXKWHMMOSA-N 1 2 457.018 3.817 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042482 1069689107 /nfs/dbraw/zinc/68/91/07/1069689107.db2.gz YSXOYPXLHQYLDR-VXKWHMMOSA-N 1 2 457.018 3.817 20 0 JHADLO CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001307019534 1069728653 /nfs/dbraw/zinc/72/86/53/1069728653.db2.gz IDUWFZFXKPRFHH-SFHVURJKSA-N 1 2 491.478 3.731 20 0 JHADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1C ZINC001312166401 1069760407 /nfs/dbraw/zinc/76/04/07/1069760407.db2.gz MQSZBNCKONJUQJ-INIZCTEOSA-N 1 2 450.461 3.673 20 0 JHADLO CCOc1cccc(Cn2c(C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)c1OC(F)F ZINC001314207297 1069820166 /nfs/dbraw/zinc/82/01/66/1069820166.db2.gz DKNZVZLVZBPUNS-UHFFFAOYSA-N 1 2 478.569 3.722 20 0 JHADLO CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC001314208782 1069825736 /nfs/dbraw/zinc/82/57/36/1069825736.db2.gz DGLQFRDVVFXODD-UHFFFAOYSA-N 1 2 452.603 3.932 20 0 JHADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)CCS2 ZINC001312349709 1069879213 /nfs/dbraw/zinc/87/92/13/1069879213.db2.gz HGBBSTKPTIRMGM-YQVSFNRTSA-N 1 2 456.612 3.758 20 0 JHADLO COCC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001307117613 1069895272 /nfs/dbraw/zinc/89/52/72/1069895272.db2.gz YEMGITULIGWCTH-UHFFFAOYSA-N 1 2 452.559 3.891 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001312427129 1069930197 /nfs/dbraw/zinc/93/01/97/1069930197.db2.gz UUUSMFOHCGWHSR-OFNKIYASSA-N 1 2 458.990 3.575 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001312427129 1069930208 /nfs/dbraw/zinc/93/02/08/1069930208.db2.gz UUUSMFOHCGWHSR-OFNKIYASSA-N 1 2 458.990 3.575 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312427653 1069930788 /nfs/dbraw/zinc/93/07/88/1069930788.db2.gz YHCVEKALRIGOJN-FYYLOGMGSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312427653 1069930795 /nfs/dbraw/zinc/93/07/95/1069930795.db2.gz YHCVEKALRIGOJN-FYYLOGMGSA-N 1 2 453.974 3.943 20 0 JHADLO Cc1nc(N2CCN(C(=O)NCc3ccc(Br)cc3C(F)(F)F)CC2)cc[nH+]1 ZINC001312440530 1069938766 /nfs/dbraw/zinc/93/87/66/1069938766.db2.gz AQQYTQVKIAHPHR-UHFFFAOYSA-N 1 2 458.282 3.598 20 0 JHADLO Cn1ccc([C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c2ccc(Cl)cc2)n1 ZINC001312455738 1069949700 /nfs/dbraw/zinc/94/97/00/1069949700.db2.gz KGAKRWJZCBJBIU-HSZRJFAPSA-N 1 2 453.974 3.569 20 0 JHADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438815 1069983834 /nfs/dbraw/zinc/98/38/34/1069983834.db2.gz OLRRQUXCZJQBNR-PXNSSMCTSA-N 1 2 450.626 3.605 20 0 JHADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438815 1069983842 /nfs/dbraw/zinc/98/38/42/1069983842.db2.gz OLRRQUXCZJQBNR-PXNSSMCTSA-N 1 2 450.626 3.605 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)c1 ZINC001312538589 1070000622 /nfs/dbraw/zinc/00/06/22/1070000622.db2.gz XZFOFRYJTPQIGT-HOYKHHGWSA-N 1 2 451.546 3.746 20 0 JHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC001307495587 1070017445 /nfs/dbraw/zinc/01/74/45/1070017445.db2.gz OXLJLHDTFPDYIY-FQEVSTJZSA-N 1 2 452.002 3.563 20 0 JHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001307512011 1070026418 /nfs/dbraw/zinc/02/64/18/1070026418.db2.gz ZJCKFOGABJWFOX-GIFXNVAJSA-N 1 2 457.640 3.736 20 0 JHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001307512011 1070026430 /nfs/dbraw/zinc/02/64/30/1070026430.db2.gz ZJCKFOGABJWFOX-GIFXNVAJSA-N 1 2 457.640 3.736 20 0 JHADLO CCOC1CC(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)([NH+]2CCOCC2)C1 ZINC001312618909 1070047205 /nfs/dbraw/zinc/04/72/05/1070047205.db2.gz OIMSYZJQSCVWCM-UHFFFAOYSA-N 1 2 455.521 3.649 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001307554896 1070049876 /nfs/dbraw/zinc/04/98/76/1070049876.db2.gz IQHQKGQOMFBFOJ-OAHLLOKOSA-N 1 2 453.568 3.835 20 0 JHADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@H](CO)c2ccccc2OC)cc1 ZINC001307604957 1070078657 /nfs/dbraw/zinc/07/86/57/1070078657.db2.gz CJWBXTNVFGHTJF-RPBOFIJWSA-N 1 2 459.546 3.705 20 0 JHADLO CO[C@@H]([C@@H](C)NC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC001312701793 1070086588 /nfs/dbraw/zinc/08/65/88/1070086588.db2.gz PWKQOXRRPZOBRG-BWKNWUBXSA-N 1 2 451.611 3.933 20 0 JHADLO CC(C)[C@@H]1C[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC001312723634 1070094691 /nfs/dbraw/zinc/09/46/91/1070094691.db2.gz CPGAIQDPUADHGG-WMZOPIPTSA-N 1 2 453.381 3.902 20 0 JHADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307655603 1070105427 /nfs/dbraw/zinc/10/54/27/1070105427.db2.gz YRDAMRWTWINRFV-OAQYLSRUSA-N 1 2 451.567 3.609 20 0 JHADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307655603 1070105436 /nfs/dbraw/zinc/10/54/36/1070105436.db2.gz YRDAMRWTWINRFV-OAQYLSRUSA-N 1 2 451.567 3.609 20 0 JHADLO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001312766197 1070112196 /nfs/dbraw/zinc/11/21/96/1070112196.db2.gz RLGFLAKFVDQINF-UHFFFAOYSA-N 1 2 458.868 3.943 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC001312796127 1070126613 /nfs/dbraw/zinc/12/66/13/1070126613.db2.gz YIYHGYBVMDKNHF-HXUWFJFHSA-N 1 2 459.553 3.653 20 0 JHADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001307694174 1070130920 /nfs/dbraw/zinc/13/09/20/1070130920.db2.gz YGYWWIMMTNTJIH-LDQXTDLNSA-N 1 2 458.368 3.836 20 0 JHADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001307694174 1070130932 /nfs/dbraw/zinc/13/09/32/1070130932.db2.gz YGYWWIMMTNTJIH-LDQXTDLNSA-N 1 2 458.368 3.836 20 0 JHADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)n2CC ZINC001307740055 1070160171 /nfs/dbraw/zinc/16/01/71/1070160171.db2.gz CAUYBDIQXNLSMF-KRWDZBQOSA-N 1 2 451.445 3.955 20 0 JHADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc12 ZINC001312870287 1070160761 /nfs/dbraw/zinc/16/07/61/1070160761.db2.gz WBWHSIQQNZWTCC-OAQYLSRUSA-N 1 2 452.599 3.985 20 0 JHADLO O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC001307735519 1070158556 /nfs/dbraw/zinc/15/85/56/1070158556.db2.gz YRRXEUGJUHHHCO-UHFFFAOYSA-N 1 2 455.558 3.633 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760704 1070171984 /nfs/dbraw/zinc/17/19/84/1070171984.db2.gz WLKOHEAEQNGVQT-NTKDMRAZSA-N 1 2 450.583 3.576 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760704 1070171986 /nfs/dbraw/zinc/17/19/86/1070171986.db2.gz WLKOHEAEQNGVQT-NTKDMRAZSA-N 1 2 450.583 3.576 20 0 JHADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1cc2ccccc2o1 ZINC001307765215 1070174447 /nfs/dbraw/zinc/17/44/47/1070174447.db2.gz CZYUACHBNYWZCA-YOZRSPHLSA-N 1 2 481.515 3.547 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](C(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001314361134 1070185226 /nfs/dbraw/zinc/18/52/26/1070185226.db2.gz NMDSKUQPMBXSNT-DEOSSOPVSA-N 1 2 454.663 3.505 20 0 JHADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](CNC(=O)C(F)(F)F)C3)n2)cc1C ZINC001307808053 1070192267 /nfs/dbraw/zinc/19/22/67/1070192267.db2.gz JURHOOYTPWMGFC-HNNXBMFYSA-N 1 2 454.518 3.756 20 0 JHADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](CNC(=O)C(F)(F)F)C3)n2)cc1C ZINC001307808053 1070192275 /nfs/dbraw/zinc/19/22/75/1070192275.db2.gz JURHOOYTPWMGFC-HNNXBMFYSA-N 1 2 454.518 3.756 20 0 JHADLO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC001307811290 1070194325 /nfs/dbraw/zinc/19/43/25/1070194325.db2.gz JHIYITGXECITND-GOSISDBHSA-N 1 2 453.630 3.824 20 0 JHADLO O=C(C[NH+]1CCC(c2cccc(F)c2F)CC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC001307873106 1070218937 /nfs/dbraw/zinc/21/89/37/1070218937.db2.gz BZAVZHMFPPTNJO-UHFFFAOYSA-N 1 2 459.562 3.972 20 0 JHADLO CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307899263 1070230880 /nfs/dbraw/zinc/23/08/80/1070230880.db2.gz CWLSJAIITUQBAS-DYESRHJHSA-N 1 2 475.586 3.528 20 0 JHADLO CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307899263 1070230894 /nfs/dbraw/zinc/23/08/94/1070230894.db2.gz CWLSJAIITUQBAS-DYESRHJHSA-N 1 2 475.586 3.528 20 0 JHADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001314390155 1070243387 /nfs/dbraw/zinc/24/33/87/1070243387.db2.gz AGDJOJOIBYNOFC-WOJBJXKFSA-N 1 2 456.635 3.766 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NCc1ccc(Br)c(F)c1F ZINC001313093777 1070248892 /nfs/dbraw/zinc/24/88/92/1070248892.db2.gz OPRAIEOLZOBTHO-UHFFFAOYSA-N 1 2 457.344 3.675 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)sc2c1CC[C@H](C)C2 ZINC001307934459 1070248734 /nfs/dbraw/zinc/24/87/34/1070248734.db2.gz LNWUGDVVRDLEMP-GKVSMKOHSA-N 1 2 456.608 3.972 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)sc2c1CC[C@H](C)C2 ZINC001307934459 1070248746 /nfs/dbraw/zinc/24/87/46/1070248746.db2.gz LNWUGDVVRDLEMP-GKVSMKOHSA-N 1 2 456.608 3.972 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)sc2c1CC[C@H](C)C2 ZINC001307934463 1070248565 /nfs/dbraw/zinc/24/85/65/1070248565.db2.gz LNWUGDVVRDLEMP-SSOJOUAXSA-N 1 2 456.608 3.972 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@](O)(c3ccccc3)C2)sc2c1CC[C@H](C)C2 ZINC001307934463 1070248582 /nfs/dbraw/zinc/24/85/82/1070248582.db2.gz LNWUGDVVRDLEMP-SSOJOUAXSA-N 1 2 456.608 3.972 20 0 JHADLO O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947677 1070254665 /nfs/dbraw/zinc/25/46/65/1070254665.db2.gz RXYULSUOCAUMPY-YPAWHYETSA-N 1 2 459.512 3.714 20 0 JHADLO O=C(N[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947677 1070254687 /nfs/dbraw/zinc/25/46/87/1070254687.db2.gz RXYULSUOCAUMPY-YPAWHYETSA-N 1 2 459.512 3.714 20 0 JHADLO Cc1c(-c2ccccc2)sc(NC(=O)C[NH+]2CCC(C)(F)CC2)c1C(=O)N1CCOCC1 ZINC001307970396 1070263070 /nfs/dbraw/zinc/26/30/70/1070263070.db2.gz GDCZZTAYKACHCA-UHFFFAOYSA-N 1 2 459.587 3.958 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCc1c(C)noc1C ZINC001314400595 1070261848 /nfs/dbraw/zinc/26/18/48/1070261848.db2.gz VUBMKUGPLKWFGB-UHFFFAOYSA-N 1 2 458.994 3.638 20 0 JHADLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC001307978693 1070267176 /nfs/dbraw/zinc/26/71/76/1070267176.db2.gz RUKWUEXNZLZLLJ-UHFFFAOYSA-N 1 2 451.367 3.800 20 0 JHADLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC001307978693 1070267197 /nfs/dbraw/zinc/26/71/97/1070267197.db2.gz RUKWUEXNZLZLLJ-UHFFFAOYSA-N 1 2 451.367 3.800 20 0 JHADLO CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314406974 1070270196 /nfs/dbraw/zinc/27/01/96/1070270196.db2.gz VDIMRSKVGOCNMY-YIXXDRMTSA-N 1 2 485.673 3.838 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001313163765 1070275349 /nfs/dbraw/zinc/27/53/49/1070275349.db2.gz SMYCSNNHSIYYNB-OAQYLSRUSA-N 1 2 452.599 3.513 20 0 JHADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072097 1070301624 /nfs/dbraw/zinc/30/16/24/1070301624.db2.gz NKMBJYFUSJCKIZ-WMLDXEAASA-N 1 2 459.509 3.998 20 0 JHADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072097 1070301643 /nfs/dbraw/zinc/30/16/43/1070301643.db2.gz NKMBJYFUSJCKIZ-WMLDXEAASA-N 1 2 459.509 3.998 20 0 JHADLO C[C@H]1Cc2cc(CNC(=O)N(CCn3cc[nH+]c3)Cc3ccc(Br)o3)ccc2O1 ZINC001313253955 1070306563 /nfs/dbraw/zinc/30/65/63/1070306563.db2.gz KPEIDZOAJYKINC-HNNXBMFYSA-N 1 2 459.344 3.974 20 0 JHADLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001308117012 1070319501 /nfs/dbraw/zinc/31/95/01/1070319501.db2.gz MZVFDZRTXWFNLF-QFIPXVFZSA-N 1 2 458.002 3.688 20 0 JHADLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001308117012 1070319517 /nfs/dbraw/zinc/31/95/17/1070319517.db2.gz MZVFDZRTXWFNLF-QFIPXVFZSA-N 1 2 458.002 3.688 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)n1 ZINC001313305855 1070321519 /nfs/dbraw/zinc/32/15/19/1070321519.db2.gz NLUJVOBPZMDNDU-QFIPXVFZSA-N 1 2 453.653 3.677 20 0 JHADLO Cc1ccc(C2(NC(=O)NC[C@@H](C)[NH+]3CCN(C)CC3)CCCCC2)c(Br)c1 ZINC001313429078 1070357560 /nfs/dbraw/zinc/35/75/60/1070357560.db2.gz XUVNGMPQMOXGGE-GOSISDBHSA-N 1 2 451.453 3.852 20 0 JHADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ncc(Br)cc1Cl ZINC001308400221 1070369504 /nfs/dbraw/zinc/36/95/04/1070369504.db2.gz YIXCENZJXOSILT-UHFFFAOYSA-N 1 2 453.189 3.527 20 0 JHADLO CCOCCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001314473504 1070384292 /nfs/dbraw/zinc/38/42/92/1070384292.db2.gz AUQWMGDFMYTWFJ-INIZCTEOSA-N 1 2 476.423 3.981 20 0 JHADLO CCOCCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314473531 1070384327 /nfs/dbraw/zinc/38/43/27/1070384327.db2.gz BPMVTNWZDROXJT-LJQANCHMSA-N 1 2 461.676 3.859 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)C1 ZINC001308588052 1070395993 /nfs/dbraw/zinc/39/59/93/1070395993.db2.gz YNKITOTZUQHCNX-IFMALSPDSA-N 1 2 453.583 3.901 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)C1 ZINC001308588052 1070396008 /nfs/dbraw/zinc/39/60/08/1070396008.db2.gz YNKITOTZUQHCNX-IFMALSPDSA-N 1 2 453.583 3.901 20 0 JHADLO CCOc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 ZINC001308569733 1070392128 /nfs/dbraw/zinc/39/21/28/1070392128.db2.gz JSPIPKZYWLVOPL-UHFFFAOYSA-N 1 2 459.431 3.806 20 0 JHADLO CCOc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 ZINC001308569733 1070392146 /nfs/dbraw/zinc/39/21/46/1070392146.db2.gz JSPIPKZYWLVOPL-UHFFFAOYSA-N 1 2 459.431 3.806 20 0 JHADLO CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001314481537 1070394164 /nfs/dbraw/zinc/39/41/64/1070394164.db2.gz WNSNREKKRCNAIU-OAQYLSRUSA-N 1 2 496.700 3.848 20 0 JHADLO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccnc4c(Br)cccc34)CC2)CC1 ZINC001308585412 1070394895 /nfs/dbraw/zinc/39/48/95/1070394895.db2.gz CHRZXKOXNFWFSC-UHFFFAOYSA-N 1 2 459.432 3.764 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001313457375 1070399140 /nfs/dbraw/zinc/39/91/40/1070399140.db2.gz KEBBUWATYROGCX-OAQYLSRUSA-N 1 2 453.635 3.578 20 0 JHADLO CCOC(=O)Cn1cc(C[N@@H+]2CCc3cccc(Br)c3C2)c(-c2cccnc2)n1 ZINC001308620863 1070403420 /nfs/dbraw/zinc/40/34/20/1070403420.db2.gz CGSFCQLBSZFODO-UHFFFAOYSA-N 1 2 455.356 3.829 20 0 JHADLO CCOC(=O)Cn1cc(C[N@H+]2CCc3cccc(Br)c3C2)c(-c2cccnc2)n1 ZINC001308620863 1070403429 /nfs/dbraw/zinc/40/34/29/1070403429.db2.gz CGSFCQLBSZFODO-UHFFFAOYSA-N 1 2 455.356 3.829 20 0 JHADLO CC(C)(C)CC[C@@H](C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001308653844 1070410651 /nfs/dbraw/zinc/41/06/51/1070410651.db2.gz BLTALMYWTIUIKW-NRFANRHFSA-N 1 2 452.684 3.726 20 0 JHADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)ccc1Cl ZINC001308736174 1070428402 /nfs/dbraw/zinc/42/84/02/1070428402.db2.gz XMIZXTLKZKSIBY-MRXNPFEDSA-N 1 2 458.809 3.826 20 0 JHADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)ccc1Cl ZINC001308736174 1070428409 /nfs/dbraw/zinc/42/84/09/1070428409.db2.gz XMIZXTLKZKSIBY-MRXNPFEDSA-N 1 2 458.809 3.826 20 0 JHADLO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308732165 1070427580 /nfs/dbraw/zinc/42/75/80/1070427580.db2.gz QPAHXRBGCHMHSQ-KURKYZTESA-N 1 2 451.571 3.873 20 0 JHADLO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2c(Cl)ccnc2Cl)c1 ZINC001308751109 1070430134 /nfs/dbraw/zinc/43/01/34/1070430134.db2.gz HVHXPUYWEAQYNE-UHFFFAOYSA-N 1 2 453.189 3.527 20 0 JHADLO COC(=O)N1CCN(c2ccc(N[C@H](C)Cc3ccc(Br)c(F)c3)c[nH+]2)CC1 ZINC001308777472 1070436520 /nfs/dbraw/zinc/43/65/20/1070436520.db2.gz AGLAJZQSUUIDTM-CQSZACIVSA-N 1 2 451.340 3.915 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001313469183 1070451676 /nfs/dbraw/zinc/45/16/76/1070451676.db2.gz SSOWFHIDLJNSQT-IBGZPJMESA-N 1 2 453.635 3.578 20 0 JHADLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308966018 1070467496 /nfs/dbraw/zinc/46/74/96/1070467496.db2.gz KXZKTMCHYXDCLO-SJLPKXTDSA-N 1 2 455.393 3.912 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001313475035 1070474842 /nfs/dbraw/zinc/47/48/42/1070474842.db2.gz RWCGVZGXSOLVGB-UHFFFAOYSA-N 1 2 481.620 3.982 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314512558 1070475270 /nfs/dbraw/zinc/47/52/70/1070475270.db2.gz JNYKGCZUVJLKGR-CRAIPNDOSA-N 1 2 497.090 3.617 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314512559 1070475318 /nfs/dbraw/zinc/47/53/18/1070475318.db2.gz JNYKGCZUVJLKGR-MAUKXSAKSA-N 1 2 497.090 3.617 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314515538 1070486639 /nfs/dbraw/zinc/48/66/39/1070486639.db2.gz HKCSTXWHMUFFIE-APWZRJJASA-N 1 2 480.034 3.754 20 0 JHADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314594390 1070630356 /nfs/dbraw/zinc/63/03/56/1070630356.db2.gz JNEPQUZDIRYISU-VNTMZGSJSA-N 1 2 497.756 3.655 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001314607306 1070666164 /nfs/dbraw/zinc/66/61/64/1070666164.db2.gz LHPIAEFWTDYZPP-XUZZJYLKSA-N 1 2 487.714 3.905 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001314607306 1070666169 /nfs/dbraw/zinc/66/61/69/1070666169.db2.gz LHPIAEFWTDYZPP-XUZZJYLKSA-N 1 2 487.714 3.905 20 0 JHADLO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC001313572179 1070686799 /nfs/dbraw/zinc/68/67/99/1070686799.db2.gz CDSKZTPEKITZNY-UHFFFAOYSA-N 1 2 477.613 3.662 20 0 JHADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC[N@@H+]1CCOC ZINC001309326498 1070701215 /nfs/dbraw/zinc/70/12/15/1070701215.db2.gz PXGGJSVIGLMQNS-CQSZACIVSA-N 1 2 453.830 3.532 20 0 JHADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC[N@H+]1CCOC ZINC001309326498 1070701229 /nfs/dbraw/zinc/70/12/29/1070701229.db2.gz PXGGJSVIGLMQNS-CQSZACIVSA-N 1 2 453.830 3.532 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCNc2cccc[nH+]2)C1 ZINC001314626333 1070716817 /nfs/dbraw/zinc/71/68/17/1070716817.db2.gz SHYMOLJGRPMPMS-GOSISDBHSA-N 1 2 466.590 3.616 20 0 JHADLO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)c1c(F)cccc1F ZINC001314650347 1070758745 /nfs/dbraw/zinc/75/87/45/1070758745.db2.gz HTCRMAQGODXIEP-SLFFLAALSA-N 1 2 474.600 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314650882 1070759454 /nfs/dbraw/zinc/75/94/54/1070759454.db2.gz MJMNLOAFBALZPP-AHRSYUTCSA-N 1 2 463.573 3.614 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)c[nH+]1 ZINC001314659708 1070782125 /nfs/dbraw/zinc/78/21/25/1070782125.db2.gz BNAMQJQFYFUSSG-FQEVSTJZSA-N 1 2 455.006 3.894 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)c[nH+]1 ZINC001314660018 1070782821 /nfs/dbraw/zinc/78/28/21/1070782821.db2.gz CJSTZKJCVVDALQ-UHFFFAOYSA-N 1 2 464.961 3.511 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3cccc(Br)c3)n1CC(C)(C)O)C2 ZINC001314663177 1070790630 /nfs/dbraw/zinc/79/06/30/1070790630.db2.gz CTIKZYHTWKSBDA-UHFFFAOYSA-N 1 2 471.403 3.502 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@@H]3CCCCO3)n1CCCCNC(=O)OC(C)(C)C)C2 ZINC001314663982 1070793761 /nfs/dbraw/zinc/79/37/61/1070793761.db2.gz JRACHELUPOSYGZ-NRFANRHFSA-N 1 2 499.660 3.848 20 0 JHADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC001309495295 1070809877 /nfs/dbraw/zinc/80/98/77/1070809877.db2.gz DJRZUFQJKZRLQX-LBPRGKRZSA-N 1 2 454.228 3.625 20 0 JHADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC001309495295 1070809856 /nfs/dbraw/zinc/80/98/56/1070809856.db2.gz DJRZUFQJKZRLQX-LBPRGKRZSA-N 1 2 454.228 3.625 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCCO2)CC1 ZINC001313647719 1070813130 /nfs/dbraw/zinc/81/31/30/1070813130.db2.gz QPJGYYMNLRSXPN-XMMPIXPASA-N 1 2 496.700 3.802 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)CC)CC1 ZINC001313648733 1070817716 /nfs/dbraw/zinc/81/77/16/1070817716.db2.gz WNHDPQDDWJVKSM-UHFFFAOYSA-N 1 2 477.657 3.920 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001313648731 1070818103 /nfs/dbraw/zinc/81/81/03/1070818103.db2.gz WMXGAYGPVCCMKC-GOSISDBHSA-N 1 2 499.660 3.643 20 0 JHADLO CN(CC(C)(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314711548 1070892864 /nfs/dbraw/zinc/89/28/64/1070892864.db2.gz UERGWBCKIMUJQP-IBGZPJMESA-N 1 2 459.616 3.727 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN(Cc3nc(C)c(C)o3)CC2)c[nH+]1 ZINC001313672092 1070902174 /nfs/dbraw/zinc/90/21/74/1070902174.db2.gz AKAZBZWSZYDDMC-UHFFFAOYSA-N 1 2 466.634 3.618 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(C)(OC)C2)c[nH+]1 ZINC001313672893 1070905891 /nfs/dbraw/zinc/90/58/91/1070905891.db2.gz IFNPGUWHXXSXRD-UHFFFAOYSA-N 1 2 477.613 3.662 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC001313674662 1070912594 /nfs/dbraw/zinc/91/25/94/1070912594.db2.gz VGEYDFRZMBWXLJ-DENIHFKCSA-N 1 2 497.669 3.519 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CC(C)C)C2CCCC2)c[nH+]1 ZINC001313678109 1070928454 /nfs/dbraw/zinc/92/84/54/1070928454.db2.gz AEYJOQWELYRQKP-OAQYLSRUSA-N 1 2 453.635 3.924 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678866 1070932302 /nfs/dbraw/zinc/93/23/02/1070932302.db2.gz MCTOECNNVWRQSH-IBGZPJMESA-N 1 2 452.607 3.941 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)c[nH+]1 ZINC001313680925 1070939665 /nfs/dbraw/zinc/93/96/65/1070939665.db2.gz YLXUFXOLYZSGNY-NRFANRHFSA-N 1 2 450.635 3.884 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCC(N3CCCCC3=O)CC2)c[nH+]1 ZINC001313679586 1070935293 /nfs/dbraw/zinc/93/52/93/1070935293.db2.gz OHOKBOBBZSHWFL-UHFFFAOYSA-N 1 2 467.662 3.747 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313679501 1070935695 /nfs/dbraw/zinc/93/56/95/1070935695.db2.gz NAWXFACTCCJPNW-OALUTQOASA-N 1 2 452.578 3.911 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c[nH+]1 ZINC001313679969 1070937079 /nfs/dbraw/zinc/93/70/79/1070937079.db2.gz LJSOYXADUFXYNQ-CJFMBICVSA-N 1 2 456.635 3.713 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCN(C(C)=O)CC2)c[nH+]1 ZINC001313680221 1070937568 /nfs/dbraw/zinc/93/75/68/1070937568.db2.gz XRQIYNWSJVAOIU-ISKFKSNPSA-N 1 2 497.688 3.545 20 0 JHADLO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001313687804 1070946836 /nfs/dbraw/zinc/94/68/36/1070946836.db2.gz CWNLLOQLLFFWAZ-QFIPXVFZSA-N 1 2 495.628 3.726 20 0 JHADLO CN(CC1CC(F)(F)C1)c1nnc(C(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001314781515 1071056563 /nfs/dbraw/zinc/05/65/63/1071056563.db2.gz ZBHADDQRDLBPRG-UHFFFAOYSA-N 1 2 460.617 3.875 20 0 JHADLO CCN(Cc1ccc2c(c1)OCO2)c1nnc(C(=O)NC(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001313739539 1071064381 /nfs/dbraw/zinc/06/43/81/1071064381.db2.gz XADDPJZHLGJDSQ-UHFFFAOYSA-N 1 2 464.570 3.508 20 0 JHADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001310021623 1071066166 /nfs/dbraw/zinc/06/61/66/1071066166.db2.gz KUKIHPUTJBLWCZ-UHFFFAOYSA-N 1 2 450.996 3.537 20 0 JHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001310022184 1071066685 /nfs/dbraw/zinc/06/66/85/1071066685.db2.gz SPIGHCDHDPHICM-OAHLLOKOSA-N 1 2 459.563 3.895 20 0 JHADLO CN(C[C@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001314802839 1071085514 /nfs/dbraw/zinc/08/55/14/1071085514.db2.gz COAUNYMUYJLSNF-QHAWAJNXSA-N 1 2 499.660 3.951 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Br)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313752322 1071088610 /nfs/dbraw/zinc/08/86/10/1071088610.db2.gz YZPUSMQQVYXDRV-UHFFFAOYSA-N 1 2 495.429 3.977 20 0 JHADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC001310078573 1071103221 /nfs/dbraw/zinc/10/32/21/1071103221.db2.gz PELHCMWYJDYWBX-INIZCTEOSA-N 1 2 451.493 3.762 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC001310091061 1071114185 /nfs/dbraw/zinc/11/41/85/1071114185.db2.gz ZLHQVAQGMNAJPQ-UHFFFAOYSA-N 1 2 453.461 3.865 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cccc(C)[nH+]1 ZINC001313775580 1071131910 /nfs/dbraw/zinc/13/19/10/1071131910.db2.gz IHYXYIMQFBXRBP-JOCHJYFZSA-N 1 2 483.638 3.690 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1C[C@@H]1CCOC[C@H]1OC ZINC001313779219 1071141779 /nfs/dbraw/zinc/14/17/79/1071141779.db2.gz MVKLKXLLJHTVPK-FCHUYYIVSA-N 1 2 456.635 3.591 20 0 JHADLO CN(CCC(F)F)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314828016 1071154794 /nfs/dbraw/zinc/15/47/94/1071154794.db2.gz SQQBDGWOAFQOLI-UHFFFAOYSA-N 1 2 492.958 3.882 20 0 JHADLO COC1CCN(c2ccc(NC(=O)NCc3coc(C[NH+](C)C)n3)cc2C(F)(F)F)CC1 ZINC001310253794 1071239927 /nfs/dbraw/zinc/23/99/27/1071239927.db2.gz XZVUBUDOTSMQPD-UHFFFAOYSA-N 1 2 455.481 3.692 20 0 JHADLO CN(CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)CC(F)(F)F ZINC001314865819 1071268032 /nfs/dbraw/zinc/26/80/32/1071268032.db2.gz YVAYQKSBIAJCJW-UHFFFAOYSA-N 1 2 470.971 3.700 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1CC1CC(C)(C)C1 ZINC001314870323 1071280059 /nfs/dbraw/zinc/28/00/59/1071280059.db2.gz PIVWBMWATCDGMR-UHFFFAOYSA-N 1 2 468.465 3.974 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC001310349585 1071329726 /nfs/dbraw/zinc/32/97/26/1071329726.db2.gz VVBPFMAMTWLMOV-SFHVURJKSA-N 1 2 456.509 3.950 20 0 JHADLO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001310354501 1071332864 /nfs/dbraw/zinc/33/28/64/1071332864.db2.gz CQBBIWHKSNGCID-UHFFFAOYSA-N 1 2 452.386 3.766 20 0 JHADLO CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccn1 ZINC001310367171 1071344472 /nfs/dbraw/zinc/34/44/72/1071344472.db2.gz ANQWYGIBVBFKPX-UHFFFAOYSA-N 1 2 456.506 3.800 20 0 JHADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001310466542 1071408883 /nfs/dbraw/zinc/40/88/83/1071408883.db2.gz MTLSCXVFQRJVHO-KGLIPLIRSA-N 1 2 453.406 3.727 20 0 JHADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001310466542 1071408886 /nfs/dbraw/zinc/40/88/86/1071408886.db2.gz MTLSCXVFQRJVHO-KGLIPLIRSA-N 1 2 453.406 3.727 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001313872967 1071423688 /nfs/dbraw/zinc/42/36/88/1071423688.db2.gz BNNIBMJPSYTZCM-NHCUHLMSSA-N 1 2 491.702 3.643 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001313872967 1071423695 /nfs/dbraw/zinc/42/36/95/1071423695.db2.gz BNNIBMJPSYTZCM-NHCUHLMSSA-N 1 2 491.702 3.643 20 0 JHADLO Cc1ccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1S(=O)(=O)NC1CC1 ZINC001310490631 1071429334 /nfs/dbraw/zinc/42/93/34/1071429334.db2.gz FEOMYKYWOGWQHZ-UHFFFAOYSA-N 1 2 459.959 3.597 20 0 JHADLO CNC(=O)CCCN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001315028179 1071555435 /nfs/dbraw/zinc/55/54/35/1071555435.db2.gz ZRVWSMCMTVBJIY-UHFFFAOYSA-N 1 2 491.640 3.740 20 0 JHADLO CNC(=O)CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001315037439 1071570193 /nfs/dbraw/zinc/57/01/93/1071570193.db2.gz WJQVEAVQEUJXFG-UHFFFAOYSA-N 1 2 482.032 3.995 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001313927248 1071579310 /nfs/dbraw/zinc/57/93/10/1071579310.db2.gz JNCXAYMNJDKDMU-LJQANCHMSA-N 1 2 461.054 3.773 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929330 1071586505 /nfs/dbraw/zinc/58/65/05/1071586505.db2.gz YZXTZTPODCCSEF-PMACEKPBSA-N 1 2 491.080 3.540 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928280 1071583177 /nfs/dbraw/zinc/58/31/77/1071583177.db2.gz TYSXSBDMKVDHQW-HOFKKMOUSA-N 1 2 484.689 3.505 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001313930447 1071589625 /nfs/dbraw/zinc/58/96/25/1071589625.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 2 493.841 3.561 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001313930447 1071589632 /nfs/dbraw/zinc/58/96/32/1071589632.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 2 493.841 3.561 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001314008408 1071744314 /nfs/dbraw/zinc/74/43/14/1071744314.db2.gz LTZJIZJVYHWDRK-QPPBQGQZSA-N 1 2 498.672 3.922 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001314024999 1071783445 /nfs/dbraw/zinc/78/34/45/1071783445.db2.gz HVIMZPNKOWATAS-UHFFFAOYSA-N 1 2 495.603 3.576 20 0 JHADLO CCO[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC001314064446 1071908522 /nfs/dbraw/zinc/90/85/22/1071908522.db2.gz XBBNYRQPELNPHE-HXUWFJFHSA-N 1 2 453.591 3.723 20 0 JHADLO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)cc2)cc1C ZINC001305935579 1068237109 /nfs/dbraw/zinc/23/71/09/1068237109.db2.gz XUYWKOBDWZMOFO-UHFFFAOYSA-N 1 2 452.580 3.922 20 0 JHADLO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2ccc(C)o2)n1Cc1c[nH+]ccc1OC ZINC001305972485 1068308064 /nfs/dbraw/zinc/30/80/64/1068308064.db2.gz VIIWELHDEZUATG-UHFFFAOYSA-N 1 2 460.538 3.936 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305977108 1068317035 /nfs/dbraw/zinc/31/70/35/1068317035.db2.gz VPUXAESVICLQGU-UHFFFAOYSA-N 1 2 497.713 3.847 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305977108 1068317045 /nfs/dbraw/zinc/31/70/45/1068317045.db2.gz VPUXAESVICLQGU-UHFFFAOYSA-N 1 2 497.713 3.847 20 0 JHADLO CCc1nc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCOCC2)cs1 ZINC001306030853 1068430949 /nfs/dbraw/zinc/43/09/49/1068430949.db2.gz CDBKWQQQAPEADP-MRXNPFEDSA-N 1 2 476.597 3.523 20 0 JHADLO CCc1nnc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC001306060346 1068498316 /nfs/dbraw/zinc/49/83/16/1068498316.db2.gz YXIUYZGPASGIOH-KRWDZBQOSA-N 1 2 489.715 3.900 20 0 JHADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cc(F)cc(OC)c1 ZINC001306075501 1068508283 /nfs/dbraw/zinc/50/82/83/1068508283.db2.gz NRUUMYFLAPGWHU-FQEVSTJZSA-N 1 2 459.591 3.608 20 0 JHADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306115529 1068523588 /nfs/dbraw/zinc/52/35/88/1068523588.db2.gz SYQTUNFSPNKJPS-UHFFFAOYSA-N 1 2 450.440 3.561 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001306334384 1068771662 /nfs/dbraw/zinc/77/16/62/1068771662.db2.gz BVHYCLZJRYGVDP-BHDDXSALSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001306334384 1068771669 /nfs/dbraw/zinc/77/16/69/1068771669.db2.gz BVHYCLZJRYGVDP-BHDDXSALSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001306339728 1068776421 /nfs/dbraw/zinc/77/64/21/1068776421.db2.gz ISFYALXWAZHGOE-NWSQWKLXSA-N 1 2 456.635 3.918 20 0 JHADLO CC[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306422701 1068915991 /nfs/dbraw/zinc/91/59/91/1068915991.db2.gz HXIYCPBOQFHAQV-UYAOXDASSA-N 1 2 469.634 3.794 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306456431 1068981860 /nfs/dbraw/zinc/98/18/60/1068981860.db2.gz DVACFQMTBRIPKX-IBGZPJMESA-N 1 2 468.627 3.704 20 0 JHADLO CC/C=C\Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306485997 1069024899 /nfs/dbraw/zinc/02/48/99/1069024899.db2.gz PSWUIGPSMNLZIK-FUMRIQNTSA-N 1 2 480.657 3.573 20 0 JHADLO COc1ccc(-c2nnc(NC(=O)NC[C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310597620 1069040517 /nfs/dbraw/zinc/04/05/17/1069040517.db2.gz HOPSNVSQEQEJQJ-FQEVSTJZSA-N 1 2 453.568 3.545 20 0 JHADLO COc1ccc(-c2nnc(NC(=O)NC[C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310597620 1069040537 /nfs/dbraw/zinc/04/05/37/1069040537.db2.gz HOPSNVSQEQEJQJ-FQEVSTJZSA-N 1 2 453.568 3.545 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3nnc(-c4cc(F)ccc4C)s3)C2)cc1 ZINC001310669480 1069098739 /nfs/dbraw/zinc/09/87/39/1069098739.db2.gz JDKYERGCJRGNDU-LJQANCHMSA-N 1 2 455.559 3.984 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3nnc(-c4cc(F)ccc4C)s3)C2)cc1 ZINC001310669480 1069098757 /nfs/dbraw/zinc/09/87/57/1069098757.db2.gz JDKYERGCJRGNDU-LJQANCHMSA-N 1 2 455.559 3.984 20 0 JHADLO CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310683450 1069108239 /nfs/dbraw/zinc/10/82/39/1069108239.db2.gz ZSFPPQFIJQIXNR-FQEVSTJZSA-N 1 2 457.575 3.578 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306527620 1069159729 /nfs/dbraw/zinc/15/97/29/1069159729.db2.gz GJBITKFNRPKCBA-HSZRJFAPSA-N 1 2 458.994 3.768 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2nc(Cc3ccc(F)cc3)no2)[C@H](C)C1 ZINC001310813649 1069174683 /nfs/dbraw/zinc/17/46/83/1069174683.db2.gz XOCSRLNZYXQJKM-QGZVFWFLSA-N 1 2 453.518 3.936 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2nc(Cc3ccc(F)cc3)no2)[C@H](C)C1 ZINC001310813649 1069174691 /nfs/dbraw/zinc/17/46/91/1069174691.db2.gz XOCSRLNZYXQJKM-QGZVFWFLSA-N 1 2 453.518 3.936 20 0 JHADLO C[C@H](CNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC001311081463 1069267423 /nfs/dbraw/zinc/26/74/23/1069267423.db2.gz WNUUVVWHOICZJP-GFCCVEGCSA-N 1 2 458.481 3.634 20 0 JHADLO C[C@H](CNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC001311081463 1069267433 /nfs/dbraw/zinc/26/74/33/1069267433.db2.gz WNUUVVWHOICZJP-GFCCVEGCSA-N 1 2 458.481 3.634 20 0 JHADLO CCC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001306618448 1069300769 /nfs/dbraw/zinc/30/07/69/1069300769.db2.gz RYDRRGWGXIWFRT-JOCHJYFZSA-N 1 2 483.638 3.690 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164663908 719346460 /nfs/dbraw/zinc/34/64/60/719346460.db2.gz OUHMGJHGXKQTOC-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164663908 719346462 /nfs/dbraw/zinc/34/64/62/719346462.db2.gz OUHMGJHGXKQTOC-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164663747 719348080 /nfs/dbraw/zinc/34/80/80/719348080.db2.gz KWFWUMZJUHKGTJ-UHFFFAOYSA-N 1 2 481.000 3.540 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164663747 719348083 /nfs/dbraw/zinc/34/80/83/719348083.db2.gz KWFWUMZJUHKGTJ-UHFFFAOYSA-N 1 2 481.000 3.540 20 0 JHADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)[nH]c-2n1 ZINC001164674096 719517902 /nfs/dbraw/zinc/51/79/02/719517902.db2.gz ZSEJGTIDCGNTBF-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)[nH]c-2n1 ZINC001164674096 719517908 /nfs/dbraw/zinc/51/79/08/719517908.db2.gz ZSEJGTIDCGNTBF-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2[nH]1 ZINC001164674096 719517916 /nfs/dbraw/zinc/51/79/16/719517916.db2.gz ZSEJGTIDCGNTBF-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2[nH]1 ZINC001164674096 719517923 /nfs/dbraw/zinc/51/79/23/719517923.db2.gz ZSEJGTIDCGNTBF-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO Cc1cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)c(Cl)nn1 ZINC001164697460 719830460 /nfs/dbraw/zinc/83/04/60/719830460.db2.gz OHFHNIMQAZJMFY-UHFFFAOYSA-N 1 2 472.927 3.888 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164706718 719850877 /nfs/dbraw/zinc/85/08/77/719850877.db2.gz YOBDMDMPVKWCGI-UTKZUKDTSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164707596 719869699 /nfs/dbraw/zinc/86/96/99/719869699.db2.gz UCRUYFNNAYKGFY-GCJKJVERSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164707829 719874118 /nfs/dbraw/zinc/87/41/18/719874118.db2.gz VTAGKDHIRBAPJY-IBVKSMDESA-N 1 2 485.028 3.909 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1Cl ZINC001164703479 719878092 /nfs/dbraw/zinc/87/80/92/719878092.db2.gz SNNXNUTUNSFWLR-OYHNWAKOSA-N 1 2 481.380 3.808 20 0 JHADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccccc3)c3ccccc3n1)CC2 ZINC001164708746 719920876 /nfs/dbraw/zinc/92/08/76/719920876.db2.gz ONCJRQVCBVHFFI-UHFFFAOYSA-N 1 2 466.589 3.586 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164723840 720313385 /nfs/dbraw/zinc/31/33/85/720313385.db2.gz PKJFFIYBOXNYEV-KRWDZBQOSA-N 1 2 466.895 3.985 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)CC3)C2=O)cs1 ZINC001164824087 720362433 /nfs/dbraw/zinc/36/24/33/720362433.db2.gz IQBGCZLHRCUZEX-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)CC3)C2=O)cs1 ZINC001164824087 720362439 /nfs/dbraw/zinc/36/24/39/720362439.db2.gz IQBGCZLHRCUZEX-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sc6c(c54)CC[C@@H](C)C6)CC3)C2=O)cs1 ZINC001164825612 720370219 /nfs/dbraw/zinc/37/02/19/720370219.db2.gz RTIZUNLTTQHIBW-MRXNPFEDSA-N 1 2 496.706 3.894 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sc6c(c54)CC[C@@H](C)C6)CC3)C2=O)cs1 ZINC001164825612 720370229 /nfs/dbraw/zinc/37/02/29/720370229.db2.gz RTIZUNLTTQHIBW-MRXNPFEDSA-N 1 2 496.706 3.894 20 0 JHADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828829 720398176 /nfs/dbraw/zinc/39/81/76/720398176.db2.gz LLCPCBMXMUHREN-UHFFFAOYSA-N 1 2 465.295 3.728 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164832764 720477106 /nfs/dbraw/zinc/47/71/06/720477106.db2.gz WUXXLGAQIHSARR-HXUWFJFHSA-N 1 2 497.043 3.600 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756211 720979531 /nfs/dbraw/zinc/97/95/31/720979531.db2.gz GMXLBFNWEVVDPD-INIZCTEOSA-N 1 2 460.916 3.996 20 0 JHADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1Cl ZINC001164944491 721971585 /nfs/dbraw/zinc/97/15/85/721971585.db2.gz JINDEYZTBUEPPK-UHFFFAOYSA-N 1 2 477.392 3.536 20 0 JHADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1Cl ZINC001164944491 721971589 /nfs/dbraw/zinc/97/15/89/721971589.db2.gz JINDEYZTBUEPPK-UHFFFAOYSA-N 1 2 477.392 3.536 20 0 JHADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948435 721975799 /nfs/dbraw/zinc/97/57/99/721975799.db2.gz ZCQSKAXUTTVVDN-UHFFFAOYSA-N 1 2 471.001 3.661 20 0 JHADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948435 721975803 /nfs/dbraw/zinc/97/58/03/721975803.db2.gz ZCQSKAXUTTVVDN-UHFFFAOYSA-N 1 2 471.001 3.661 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164950024 721979419 /nfs/dbraw/zinc/97/94/19/721979419.db2.gz SEWYTAIOBXESLC-VWLOTQADSA-N 1 2 495.986 3.896 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164950024 721979421 /nfs/dbraw/zinc/97/94/21/721979421.db2.gz SEWYTAIOBXESLC-VWLOTQADSA-N 1 2 495.986 3.896 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164948104 721980175 /nfs/dbraw/zinc/98/01/75/721980175.db2.gz JAVAAJHMMHKXKL-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164948104 721980177 /nfs/dbraw/zinc/98/01/77/721980177.db2.gz JAVAAJHMMHKXKL-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164951096 721980741 /nfs/dbraw/zinc/98/07/41/721980741.db2.gz XVVCPGXKBNRQLS-UHFFFAOYSA-N 1 2 477.996 3.680 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164951096 721980742 /nfs/dbraw/zinc/98/07/42/721980742.db2.gz XVVCPGXKBNRQLS-UHFFFAOYSA-N 1 2 477.996 3.680 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@](C)(c3ccccc3)C(F)(F)F)CC2)c1 ZINC001311267874 1069311958 /nfs/dbraw/zinc/31/19/58/1069311958.db2.gz XNKIXOSHVPFDGZ-JOCHJYFZSA-N 1 2 451.489 3.879 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccccc3-c3nccs3)C2)CC1 ZINC001311332266 1069327642 /nfs/dbraw/zinc/32/76/42/1069327642.db2.gz QRTQAYSUPCNZCD-KRWDZBQOSA-N 1 2 457.600 3.969 20 0 JHADLO O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311348106 1069334232 /nfs/dbraw/zinc/33/42/32/1069334232.db2.gz GYKREBWFLQHYRS-VWLOTQADSA-N 1 2 458.562 3.639 20 0 JHADLO O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311348106 1069334245 /nfs/dbraw/zinc/33/42/45/1069334245.db2.gz GYKREBWFLQHYRS-VWLOTQADSA-N 1 2 458.562 3.639 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001311447315 1069382815 /nfs/dbraw/zinc/38/28/15/1069382815.db2.gz HQEUMVLCHKWRBJ-VQTJNVASSA-N 1 2 457.550 3.725 20 0 JHADLO CCCCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001306676823 1069400924 /nfs/dbraw/zinc/40/09/24/1069400924.db2.gz LPBRDUJLVHMTOK-RUZDIDTESA-N 1 2 473.687 3.918 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1)Nc1ccccc1 ZINC001311518021 1069419312 /nfs/dbraw/zinc/41/93/12/1069419312.db2.gz RBOKYCAXGNGYCI-QFIPXVFZSA-N 1 2 456.974 3.606 20 0 JHADLO O=C(NCc1cc(F)c(Br)cc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC001311545299 1069432428 /nfs/dbraw/zinc/43/24/28/1069432428.db2.gz KPAATBKXTFZXRV-UHFFFAOYSA-N 1 2 454.315 3.559 20 0 JHADLO CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306715530 1069447337 /nfs/dbraw/zinc/44/73/37/1069447337.db2.gz LEHIJZDGICVCDY-KDURUIRLSA-N 1 2 455.607 3.571 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306732815 1069491154 /nfs/dbraw/zinc/49/11/54/1069491154.db2.gz MADJUSSJERODTN-VQTJNVASSA-N 1 2 492.624 3.927 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665424 1069494561 /nfs/dbraw/zinc/49/45/61/1069494561.db2.gz ILPDABOJVZAJCH-RCZVLFRGSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665424 1069494565 /nfs/dbraw/zinc/49/45/65/1069494565.db2.gz ILPDABOJVZAJCH-RCZVLFRGSA-N 1 2 458.002 3.539 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311690984 1069505218 /nfs/dbraw/zinc/50/52/18/1069505218.db2.gz QOYXEXNMDNTXIF-PUCZYUMASA-N 1 2 453.917 3.757 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311690984 1069505219 /nfs/dbraw/zinc/50/52/19/1069505219.db2.gz QOYXEXNMDNTXIF-PUCZYUMASA-N 1 2 453.917 3.757 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC001311682026 1069501909 /nfs/dbraw/zinc/50/19/09/1069501909.db2.gz GLNDDJVRFPKAME-IERDGZPVSA-N 1 2 453.493 3.702 20 0 JHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001311682176 1069502457 /nfs/dbraw/zinc/50/24/57/1069502457.db2.gz JZDMNVUZABTBGS-QGZVFWFLSA-N 1 2 458.335 3.852 20 0 JHADLO O=C(NCc1ccccc1CC(F)(F)F)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001311726835 1069523445 /nfs/dbraw/zinc/52/34/45/1069523445.db2.gz JJYXNMQHPWAFOD-UHFFFAOYSA-N 1 2 451.489 3.502 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@@H]1CC=CCC1 ZINC001311737061 1069527784 /nfs/dbraw/zinc/52/77/84/1069527784.db2.gz SRGRLONPBIDTCT-VQIMIIECSA-N 1 2 453.368 3.911 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@@H]1CC=CCC1 ZINC001311737061 1069527790 /nfs/dbraw/zinc/52/77/90/1069527790.db2.gz SRGRLONPBIDTCT-VQIMIIECSA-N 1 2 453.368 3.911 20 0 JHADLO COc1c(C)c[nH+]c(CNC(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1C ZINC001311779932 1069543441 /nfs/dbraw/zinc/54/34/41/1069543441.db2.gz YYBSHIMQZKAKJA-UHFFFAOYSA-N 1 2 453.370 3.862 20 0 JHADLO O=C(CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC001311867870 1069587896 /nfs/dbraw/zinc/58/78/96/1069587896.db2.gz QYNXFFGCNAGRDG-DEOSSOPVSA-N 1 2 455.002 3.769 20 0 JHADLO C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001311912565 1069609730 /nfs/dbraw/zinc/60/97/30/1069609730.db2.gz FBMTZZXWEYBLKL-MOPGFXCFSA-N 1 2 451.571 3.508 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(C(=O)N2CCCC2)n1Cc1c[nH+]ccc1OC ZINC001306810875 1069630511 /nfs/dbraw/zinc/63/05/11/1069630511.db2.gz IRJLUBYBUWGMPH-UHFFFAOYSA-N 1 2 470.524 3.661 20 0 JHADLO CCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001314157625 1069632696 /nfs/dbraw/zinc/63/26/96/1069632696.db2.gz CTFUEZKIEVYTCK-UHFFFAOYSA-N 1 2 452.603 3.851 20 0 JHADLO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311954180 1069633215 /nfs/dbraw/zinc/63/32/15/1069633215.db2.gz PKWXTHLTNKNUPK-LJQANCHMSA-N 1 2 454.974 3.752 20 0 JHADLO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311954180 1069633223 /nfs/dbraw/zinc/63/32/23/1069633223.db2.gz PKWXTHLTNKNUPK-LJQANCHMSA-N 1 2 454.974 3.752 20 0 JHADLO O=C(NCc1ccccc1Cn1cncn1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001306831902 1069649042 /nfs/dbraw/zinc/64/90/42/1069649042.db2.gz ZLIRLQLWCVKAFJ-NRFANRHFSA-N 1 2 454.372 3.542 20 0 JHADLO Cc1[nH]c(=S)sc1CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001306840706 1069654300 /nfs/dbraw/zinc/65/43/00/1069654300.db2.gz FLNSYHDSTQLEGM-UHFFFAOYSA-N 1 2 451.415 3.971 20 0 JHADLO CN(CCCNC(=O)OC(C)(C)C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001306876789 1069670352 /nfs/dbraw/zinc/67/03/52/1069670352.db2.gz UEMRXICFKXZTDD-SFHVURJKSA-N 1 2 454.409 3.959 20 0 JHADLO O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312049784 1069693282 /nfs/dbraw/zinc/69/32/82/1069693282.db2.gz UPQMVMBYCNAOGV-SXOMAYOGSA-N 1 2 459.590 3.630 20 0 JHADLO CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001307016243 1069723976 /nfs/dbraw/zinc/72/39/76/1069723976.db2.gz FXPGMVNVFSYGTM-UHFFFAOYSA-N 1 2 491.409 3.926 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001312162048 1069758301 /nfs/dbraw/zinc/75/83/01/1069758301.db2.gz DSCUOIJGFOTPTK-OFNKIYASSA-N 1 2 457.018 3.851 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001312255565 1069813351 /nfs/dbraw/zinc/81/33/51/1069813351.db2.gz CQWNRMCTTCLPKF-QPPBQGQZSA-N 1 2 458.628 3.938 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCc3csc(-c4ccccc4)n3)C2)cc1 ZINC001312266064 1069823957 /nfs/dbraw/zinc/82/39/57/1069823957.db2.gz NVNVVWLGFNZCAO-HSZRJFAPSA-N 1 2 450.608 3.861 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCc3csc(-c4ccccc4)n3)C2)cc1 ZINC001312266064 1069823930 /nfs/dbraw/zinc/82/39/30/1069823930.db2.gz NVNVVWLGFNZCAO-HSZRJFAPSA-N 1 2 450.608 3.861 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)CC2)c1 ZINC001312278963 1069832904 /nfs/dbraw/zinc/83/29/04/1069832904.db2.gz QXIISTDDQIOEMJ-YKSBVNFPSA-N 1 2 453.583 3.760 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314215104 1069845503 /nfs/dbraw/zinc/84/55/03/1069845503.db2.gz HBSOSYLPHSIXNY-ATKRNPRHSA-N 1 2 471.646 3.991 20 0 JHADLO CCCN1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1=O ZINC001307061763 1069855350 /nfs/dbraw/zinc/85/53/50/1069855350.db2.gz LLTCHVNPQCPYCK-GOSISDBHSA-N 1 2 453.566 3.613 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314225715 1069892233 /nfs/dbraw/zinc/89/22/33/1069892233.db2.gz LQBXSHXJGWRPQT-MJGOQNOKSA-N 1 2 454.550 3.559 20 0 JHADLO C[NH+](C)C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001312391348 1069904448 /nfs/dbraw/zinc/90/44/48/1069904448.db2.gz IAORHMDDNJSJHU-OALUTQOASA-N 1 2 458.411 3.681 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424113 1069926713 /nfs/dbraw/zinc/92/67/13/1069926713.db2.gz CESMEOXIUSWJEJ-FCBIJRMHSA-N 1 2 453.892 3.984 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424113 1069926716 /nfs/dbraw/zinc/92/67/16/1069926716.db2.gz CESMEOXIUSWJEJ-FCBIJRMHSA-N 1 2 453.892 3.984 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)CCO2)cc1 ZINC001312427556 1069930294 /nfs/dbraw/zinc/93/02/94/1069930294.db2.gz WSOZUYGZDQBTFA-ZRBLBEILSA-N 1 2 459.974 3.503 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)CCO2)cc1 ZINC001312427556 1069930304 /nfs/dbraw/zinc/93/03/04/1069930304.db2.gz WSOZUYGZDQBTFA-ZRBLBEILSA-N 1 2 459.974 3.503 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001312425737 1069928279 /nfs/dbraw/zinc/92/82/79/1069928279.db2.gz LBKJJIXVRZFPHU-VQTJNVASSA-N 1 2 451.995 3.525 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001312425737 1069928286 /nfs/dbraw/zinc/92/82/86/1069928286.db2.gz LBKJJIXVRZFPHU-VQTJNVASSA-N 1 2 451.995 3.525 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426616 1069929255 /nfs/dbraw/zinc/92/92/55/1069929255.db2.gz QFNQPPGRLWBYRM-ACRUOGEOSA-N 1 2 452.382 3.788 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426616 1069929259 /nfs/dbraw/zinc/92/92/59/1069929259.db2.gz QFNQPPGRLWBYRM-ACRUOGEOSA-N 1 2 452.382 3.788 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)CCO2)cc1 ZINC001312427552 1069929967 /nfs/dbraw/zinc/92/99/67/1069929967.db2.gz WSOZUYGZDQBTFA-VABKMULXSA-N 1 2 459.974 3.503 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)CCO2)cc1 ZINC001312427552 1069929978 /nfs/dbraw/zinc/92/99/78/1069929978.db2.gz WSOZUYGZDQBTFA-VABKMULXSA-N 1 2 459.974 3.503 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427092 1069930054 /nfs/dbraw/zinc/93/00/54/1069930054.db2.gz UIDFFMDKVDITCL-GMAHTHKFSA-N 1 2 453.974 3.671 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427092 1069930061 /nfs/dbraw/zinc/93/00/61/1069930061.db2.gz UIDFFMDKVDITCL-GMAHTHKFSA-N 1 2 453.974 3.671 20 0 JHADLO O=C(CSc1nnc(CCC2CCCCC2)o1)NCc1ccccc1C[NH+]1CCOCC1 ZINC001307301537 1069932754 /nfs/dbraw/zinc/93/27/54/1069932754.db2.gz NGMJOOAUCTVHKQ-UHFFFAOYSA-N 1 2 458.628 3.823 20 0 JHADLO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433862 1069934149 /nfs/dbraw/zinc/93/41/49/1069934149.db2.gz ZVIFTZWLKNJTNY-RHSMWYFYSA-N 1 2 452.340 3.644 20 0 JHADLO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433862 1069934158 /nfs/dbraw/zinc/93/41/58/1069934158.db2.gz ZVIFTZWLKNJTNY-RHSMWYFYSA-N 1 2 452.340 3.644 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@]3(C)CCCc4ccccc43)C2)CC1 ZINC001312435791 1069934867 /nfs/dbraw/zinc/93/48/67/1069934867.db2.gz OHFDJTCERTVUNP-LVXARBLLSA-N 1 2 456.631 3.617 20 0 JHADLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001307330691 1069951190 /nfs/dbraw/zinc/95/11/90/1069951190.db2.gz YOIBXEDXUKPSGI-UHFFFAOYSA-N 1 2 454.514 3.522 20 0 JHADLO Cc1ccccc1C[N@H+]1CCCN(C(=O)CS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001307330691 1069951195 /nfs/dbraw/zinc/95/11/95/1069951195.db2.gz YOIBXEDXUKPSGI-UHFFFAOYSA-N 1 2 454.514 3.522 20 0 JHADLO COCC[C@@H](Cc1ccco1)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312483063 1069963550 /nfs/dbraw/zinc/96/35/50/1069963550.db2.gz FUCFRAQYMWANNQ-SFHVURJKSA-N 1 2 455.477 3.653 20 0 JHADLO C[C@H](C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415735 1069973110 /nfs/dbraw/zinc/97/31/10/1069973110.db2.gz OAUWSOKDCLRPQG-WZONZLPQSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@H](C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415735 1069973121 /nfs/dbraw/zinc/97/31/21/1069973121.db2.gz OAUWSOKDCLRPQG-WZONZLPQSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307427767 1069979557 /nfs/dbraw/zinc/97/95/57/1069979557.db2.gz IUUPOSSDVOGOPZ-SFHVURJKSA-N 1 2 452.986 3.717 20 0 JHADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307427767 1069979567 /nfs/dbraw/zinc/97/95/67/1069979567.db2.gz IUUPOSSDVOGOPZ-SFHVURJKSA-N 1 2 452.986 3.717 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)[C@@H](C)C2)cc1 ZINC001307449255 1069989463 /nfs/dbraw/zinc/98/94/63/1069989463.db2.gz BUQPLFGLYZOYBY-XOBRGWDASA-N 1 2 451.336 3.619 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)[C@@H](C)C2)cc1 ZINC001307449255 1069989472 /nfs/dbraw/zinc/98/94/72/1069989472.db2.gz BUQPLFGLYZOYBY-XOBRGWDASA-N 1 2 451.336 3.619 20 0 JHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521063 1070031915 /nfs/dbraw/zinc/03/19/15/1070031915.db2.gz GSBNLADKYLQZPX-HYHKQLJDSA-N 1 2 456.608 3.774 20 0 JHADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521063 1070031924 /nfs/dbraw/zinc/03/19/24/1070031924.db2.gz GSBNLADKYLQZPX-HYHKQLJDSA-N 1 2 456.608 3.774 20 0 JHADLO COc1cc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581107 1070063119 /nfs/dbraw/zinc/06/31/19/1070063119.db2.gz KFJKCBVPDMXFSU-YOEHRIQHSA-N 1 2 454.976 3.572 20 0 JHADLO COc1cc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581107 1070063131 /nfs/dbraw/zinc/06/31/31/1070063131.db2.gz KFJKCBVPDMXFSU-YOEHRIQHSA-N 1 2 454.976 3.572 20 0 JHADLO Cc1cc(C[N@@H+](CC(=O)Nc2nnc(CC(C)C)s2)CC(C)C)nc(N2CCCCC2)n1 ZINC001307588794 1070067996 /nfs/dbraw/zinc/06/79/96/1070067996.db2.gz MURMASMMCSWOJL-UHFFFAOYSA-N 1 2 459.664 3.922 20 0 JHADLO Cc1cc(C[N@H+](CC(=O)Nc2nnc(CC(C)C)s2)CC(C)C)nc(N2CCCCC2)n1 ZINC001307588794 1070068014 /nfs/dbraw/zinc/06/80/14/1070068014.db2.gz MURMASMMCSWOJL-UHFFFAOYSA-N 1 2 459.664 3.922 20 0 JHADLO CN(C)C(=O)C[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccccc1 ZINC001312713069 1070091579 /nfs/dbraw/zinc/09/15/79/1070091579.db2.gz LWLMLRYCZQNDPB-QFIPXVFZSA-N 1 2 453.974 3.968 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001314305606 1070092368 /nfs/dbraw/zinc/09/23/68/1070092368.db2.gz YGZVCJWHJOLVPH-QFIPXVFZSA-N 1 2 499.603 3.678 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)[NH+](C)C)cc1 ZINC001312753074 1070103391 /nfs/dbraw/zinc/10/33/91/1070103391.db2.gz DYZDKPROELPVNS-DOPJRALCSA-N 1 2 453.655 3.679 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312753879 1070104320 /nfs/dbraw/zinc/10/43/20/1070104320.db2.gz QKPCHRGVZPMSOS-ZBFHGGJFSA-N 1 2 456.812 3.639 20 0 JHADLO COC(=O)c1cnc(C2CCN(C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2)s1 ZINC001312765502 1070111452 /nfs/dbraw/zinc/11/14/52/1070111452.db2.gz KCDQYRXRYSWGNT-UHFFFAOYSA-N 1 2 459.959 3.858 20 0 JHADLO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(C)c1 ZINC001307677281 1070119541 /nfs/dbraw/zinc/11/95/41/1070119541.db2.gz MGOBHCSOKIPCHN-INIZCTEOSA-N 1 2 453.534 3.800 20 0 JHADLO Cc1cc(C)c(N2CC[C@H]([N@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(C)c1 ZINC001307677281 1070119549 /nfs/dbraw/zinc/11/95/49/1070119549.db2.gz MGOBHCSOKIPCHN-INIZCTEOSA-N 1 2 453.534 3.800 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001314328100 1070116736 /nfs/dbraw/zinc/11/67/36/1070116736.db2.gz JSRGUKRNNWPBMD-UHFFFAOYSA-N 1 2 497.688 3.579 20 0 JHADLO CCOCc1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001314333442 1070127924 /nfs/dbraw/zinc/12/79/24/1070127924.db2.gz CQGWTDMFDGMEAU-UHFFFAOYSA-N 1 2 452.456 3.966 20 0 JHADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001307694177 1070130982 /nfs/dbraw/zinc/13/09/82/1070130982.db2.gz YGYWWIMMTNTJIH-NBHGPNQESA-N 1 2 458.368 3.836 20 0 JHADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001307694177 1070130996 /nfs/dbraw/zinc/13/09/96/1070130996.db2.gz YGYWWIMMTNTJIH-NBHGPNQESA-N 1 2 458.368 3.836 20 0 JHADLO O=C(CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307713053 1070140477 /nfs/dbraw/zinc/14/04/77/1070140477.db2.gz PYYFTJFYWDWXLZ-NRFANRHFSA-N 1 2 455.521 3.982 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760703 1070171862 /nfs/dbraw/zinc/17/18/62/1070171862.db2.gz WLKOHEAEQNGVQT-DVECYGJZSA-N 1 2 450.583 3.576 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760703 1070171869 /nfs/dbraw/zinc/17/18/69/1070171869.db2.gz WLKOHEAEQNGVQT-DVECYGJZSA-N 1 2 450.583 3.576 20 0 JHADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC001307822065 1070201224 /nfs/dbraw/zinc/20/12/24/1070201224.db2.gz RUTDRABQOGWFAE-QGZVFWFLSA-N 1 2 459.015 3.998 20 0 JHADLO Fc1cc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cncc(Br)c4)C3)n2)cc(F)c1F ZINC001307880448 1070221479 /nfs/dbraw/zinc/22/14/79/1070221479.db2.gz CZKNUHZCCQOBPS-GFCCVEGCSA-N 1 2 455.234 3.965 20 0 JHADLO Fc1cc(-c2noc(C[N@H+]3CC[C@@H](Oc4cncc(Br)c4)C3)n2)cc(F)c1F ZINC001307880448 1070221492 /nfs/dbraw/zinc/22/14/92/1070221492.db2.gz CZKNUHZCCQOBPS-GFCCVEGCSA-N 1 2 455.234 3.965 20 0 JHADLO O=C(C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307895901 1070229122 /nfs/dbraw/zinc/22/91/22/1070229122.db2.gz CDZDULJPEGEEIP-RUZDIDTESA-N 1 2 455.986 3.935 20 0 JHADLO O=C(C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307895901 1070229137 /nfs/dbraw/zinc/22/91/37/1070229137.db2.gz CDZDULJPEGEEIP-RUZDIDTESA-N 1 2 455.986 3.935 20 0 JHADLO CCCCn1c(C[N@@H+]2CCC[C@H](OC(C)C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001307898809 1070230803 /nfs/dbraw/zinc/23/08/03/1070230803.db2.gz DFZBEMJANHZHAY-FQEVSTJZSA-N 1 2 453.587 3.536 20 0 JHADLO CCCCn1c(C[N@H+]2CCC[C@H](OC(C)C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001307898809 1070230820 /nfs/dbraw/zinc/23/08/20/1070230820.db2.gz DFZBEMJANHZHAY-FQEVSTJZSA-N 1 2 453.587 3.536 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC001307911037 1070236251 /nfs/dbraw/zinc/23/62/51/1070236251.db2.gz UKZKHRLTVCYKTH-JKIFEVAISA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC001307911037 1070236264 /nfs/dbraw/zinc/23/62/64/1070236264.db2.gz UKZKHRLTVCYKTH-JKIFEVAISA-N 1 2 457.354 3.772 20 0 JHADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCSCc1ccccc1F ZINC001314392547 1070249194 /nfs/dbraw/zinc/24/91/94/1070249194.db2.gz QXCFZUPEWSVDCV-UHFFFAOYSA-N 1 2 456.591 3.609 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001314397961 1070258296 /nfs/dbraw/zinc/25/82/96/1070258296.db2.gz YDFAVNPHSRWDAC-UHFFFAOYSA-N 1 2 484.670 3.888 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001314400645 1070262247 /nfs/dbraw/zinc/26/22/47/1070262247.db2.gz WZBJGWFYARNGSW-UHFFFAOYSA-N 1 2 470.540 3.802 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307994991 1070273708 /nfs/dbraw/zinc/27/37/08/1070273708.db2.gz AQLYJXNQELVUNI-CVEARBPZSA-N 1 2 453.605 3.939 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307994991 1070273726 /nfs/dbraw/zinc/27/37/26/1070273726.db2.gz AQLYJXNQELVUNI-CVEARBPZSA-N 1 2 453.605 3.939 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)C2)c1 ZINC001313162954 1070274626 /nfs/dbraw/zinc/27/46/26/1070274626.db2.gz HYACWBGSKKGYJL-PUHATCMVSA-N 1 2 474.646 3.531 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)C2)c1 ZINC001313162954 1070274639 /nfs/dbraw/zinc/27/46/39/1070274639.db2.gz HYACWBGSKKGYJL-PUHATCMVSA-N 1 2 474.646 3.531 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)Cc3cccc(OC(F)(F)F)c3)C2)c1 ZINC001313164942 1070275896 /nfs/dbraw/zinc/27/58/96/1070275896.db2.gz QSDIHLWFAUFJQY-OAQYLSRUSA-N 1 2 451.489 3.936 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)Cc3cccc(OC(F)(F)F)c3)C2)c1 ZINC001313164942 1070275904 /nfs/dbraw/zinc/27/59/04/1070275904.db2.gz QSDIHLWFAUFJQY-OAQYLSRUSA-N 1 2 451.489 3.936 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313164961 1070276142 /nfs/dbraw/zinc/27/61/42/1070276142.db2.gz QUGJONJSLQKYHI-GOTSBHOMSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313164961 1070276155 /nfs/dbraw/zinc/27/61/55/1070276155.db2.gz QUGJONJSLQKYHI-GOTSBHOMSA-N 1 2 459.631 3.882 20 0 JHADLO COc1ccc(C(NC(=O)C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC001308032456 1070287693 /nfs/dbraw/zinc/28/76/93/1070287693.db2.gz DOFSQDQEJVDMNA-JOCHJYFZSA-N 1 2 452.473 3.563 20 0 JHADLO COc1ccc(C(NC(=O)C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC001308032456 1070287712 /nfs/dbraw/zinc/28/77/12/1070287712.db2.gz DOFSQDQEJVDMNA-JOCHJYFZSA-N 1 2 452.473 3.563 20 0 JHADLO CCCCc1nnc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccc(C(=O)OC)cc43)CC2)s1 ZINC001308094446 1070309558 /nfs/dbraw/zinc/30/95/58/1070309558.db2.gz GSDHEODPRRNOOT-UHFFFAOYSA-N 1 2 455.584 3.967 20 0 JHADLO COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)NCc4nc(C[NH+](C)C)cs4)CC3)c2c1 ZINC001313306301 1070321861 /nfs/dbraw/zinc/32/18/61/1070321861.db2.gz RVDUBSBQFMVAOA-UHFFFAOYSA-N 1 2 455.584 3.562 20 0 JHADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001313338779 1070331187 /nfs/dbraw/zinc/33/11/87/1070331187.db2.gz KTAMHBHLZNVNFR-CYBMUJFWSA-N 1 2 451.192 3.762 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc2c1OCCO2 ZINC001313419145 1070353874 /nfs/dbraw/zinc/35/38/74/1070353874.db2.gz SZILRHOAFVDWSQ-UHFFFAOYSA-N 1 2 450.539 3.855 20 0 JHADLO COc1ccc(OCc2nc(C[NH2+]Cc3cccc(N4CCCS4(=O)=O)c3)cs2)cc1 ZINC001308363699 1070361993 /nfs/dbraw/zinc/36/19/93/1070361993.db2.gz WFIMJYSCCGVXKJ-UHFFFAOYSA-N 1 2 459.593 3.560 20 0 JHADLO O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001308600434 1070398020 /nfs/dbraw/zinc/39/80/20/1070398020.db2.gz UWYYVTPQMMDVKE-UHFFFAOYSA-N 1 2 455.964 3.691 20 0 JHADLO O=c1[nH]c2cc(F)ccc2cc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001308600434 1070398036 /nfs/dbraw/zinc/39/80/36/1070398036.db2.gz UWYYVTPQMMDVKE-UHFFFAOYSA-N 1 2 455.964 3.691 20 0 JHADLO COC(=O)c1cc(Br)oc1CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001308619287 1070402465 /nfs/dbraw/zinc/40/24/65/1070402465.db2.gz LVDZCZFUDLGSJS-INIZCTEOSA-N 1 2 451.361 3.552 20 0 JHADLO CC(C)(C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001308651192 1070410934 /nfs/dbraw/zinc/41/09/34/1070410934.db2.gz YKADKGAEZCZZJR-UHFFFAOYSA-N 1 2 451.430 3.874 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001313461266 1070415701 /nfs/dbraw/zinc/41/57/01/1070415701.db2.gz IIYUNFAKWQOOSR-UWJYYQICSA-N 1 2 485.583 3.597 20 0 JHADLO CC(C)COC(=O)N1CCC(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC001308692356 1070419353 /nfs/dbraw/zinc/41/93/53/1070419353.db2.gz LPCJSRQTWBQYJE-UHFFFAOYSA-N 1 2 453.425 3.870 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001313463080 1070423617 /nfs/dbraw/zinc/42/36/17/1070423617.db2.gz ZKDVDFSXVNIMRE-QHCPKHFHSA-N 1 2 475.641 3.759 20 0 JHADLO COc1ccc([C@H](O)C2CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)cc1 ZINC001308782843 1070438140 /nfs/dbraw/zinc/43/81/40/1070438140.db2.gz QTBPSEOUAZBXCH-QFIPXVFZSA-N 1 2 457.372 3.984 20 0 JHADLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001308856419 1070449166 /nfs/dbraw/zinc/44/91/66/1070449166.db2.gz YMUOJFCYWMDFFO-ROUUACIJSA-N 1 2 459.484 3.529 20 0 JHADLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001308856419 1070449170 /nfs/dbraw/zinc/44/91/70/1070449170.db2.gz YMUOJFCYWMDFFO-ROUUACIJSA-N 1 2 459.484 3.529 20 0 JHADLO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC001308937749 1070463131 /nfs/dbraw/zinc/46/31/31/1070463131.db2.gz XGAUHUSJZHZUPP-HNNXBMFYSA-N 1 2 451.502 3.655 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001308966020 1070467475 /nfs/dbraw/zinc/46/74/75/1070467475.db2.gz LCDSOVZHOIQXCO-NRFANRHFSA-N 1 2 459.384 3.736 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001314513513 1070479273 /nfs/dbraw/zinc/47/92/73/1070479273.db2.gz SIESDNRYQGXNTC-PKOBYXMFSA-N 1 2 491.061 3.940 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001314513510 1070479349 /nfs/dbraw/zinc/47/93/49/1070479349.db2.gz SIESDNRYQGXNTC-HKUYNNGSSA-N 1 2 491.061 3.940 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001314513511 1070479372 /nfs/dbraw/zinc/47/93/72/1070479372.db2.gz SIESDNRYQGXNTC-IEBWSBKVSA-N 1 2 491.061 3.940 20 0 JHADLO CCOc1ccc(Oc2cc(CNS(=O)(=O)c3cccc4c3CC[N@H+](C)C4)ccn2)cc1 ZINC001309077768 1070526019 /nfs/dbraw/zinc/52/60/19/1070526019.db2.gz BLHCPXWXHTYRTR-UHFFFAOYSA-N 1 2 453.564 3.739 20 0 JHADLO CCOc1ccc(Oc2cc(CNS(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)ccn2)cc1 ZINC001309077768 1070526033 /nfs/dbraw/zinc/52/60/33/1070526033.db2.gz BLHCPXWXHTYRTR-UHFFFAOYSA-N 1 2 453.564 3.739 20 0 JHADLO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001309155843 1070573354 /nfs/dbraw/zinc/57/33/54/1070573354.db2.gz CONVXXSNMCWTAV-KRWDZBQOSA-N 1 2 454.976 3.615 20 0 JHADLO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001309155843 1070573364 /nfs/dbraw/zinc/57/33/64/1070573364.db2.gz CONVXXSNMCWTAV-KRWDZBQOSA-N 1 2 454.976 3.615 20 0 JHADLO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001309157898 1070575476 /nfs/dbraw/zinc/57/54/76/1070575476.db2.gz UHVLHSYMROXXBZ-INIZCTEOSA-N 1 2 458.914 3.995 20 0 JHADLO O=S(=O)(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001309157898 1070575495 /nfs/dbraw/zinc/57/54/95/1070575495.db2.gz UHVLHSYMROXXBZ-INIZCTEOSA-N 1 2 458.914 3.995 20 0 JHADLO COc1c(C)cnc(C[NH+]2CCC(N(C)S(=O)(=O)c3c(C)sc(C)c3C)CC2)c1C ZINC001309158773 1070576165 /nfs/dbraw/zinc/57/61/65/1070576165.db2.gz KEJNYEMXQUNGLZ-UHFFFAOYSA-N 1 2 451.658 3.979 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001313520676 1070587002 /nfs/dbraw/zinc/58/70/02/1070587002.db2.gz FLJDFGWZOUYMQI-NRFANRHFSA-N 1 2 499.637 3.586 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001313522976 1070593634 /nfs/dbraw/zinc/59/36/34/1070593634.db2.gz LTRQTEUNMRYDII-RPWUZVMVSA-N 1 2 485.673 3.980 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001313522976 1070593645 /nfs/dbraw/zinc/59/36/45/1070593645.db2.gz LTRQTEUNMRYDII-RPWUZVMVSA-N 1 2 485.673 3.980 20 0 JHADLO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001313552234 1070669666 /nfs/dbraw/zinc/66/96/66/1070669666.db2.gz DVBYNJVIMRJMGG-UHFFFAOYSA-N 1 2 479.604 3.700 20 0 JHADLO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313569212 1070683201 /nfs/dbraw/zinc/68/32/01/1070683201.db2.gz MWCROSJQFSMRQM-BDTNDASRSA-N 1 2 484.645 3.578 20 0 JHADLO CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313616665 1070740597 /nfs/dbraw/zinc/74/05/97/1070740597.db2.gz GLSVYFIVWDOZQE-VWLOTQADSA-N 1 2 473.687 3.917 20 0 JHADLO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1)C(C)C ZINC001313619145 1070744220 /nfs/dbraw/zinc/74/42/20/1070744220.db2.gz YOXFGXVAQDZOMP-JOCHJYFZSA-N 1 2 496.681 3.886 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1)c1c(F)cccc1F ZINC001314651935 1070761748 /nfs/dbraw/zinc/76/17/48/1070761748.db2.gz SYIGFEPOFDEXHQ-NHCUHLMSSA-N 1 2 490.599 3.583 20 0 JHADLO CN(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccon2)c[nH+]1 ZINC001314659574 1070781641 /nfs/dbraw/zinc/78/16/41/1070781641.db2.gz YQVHHFTWCKYSSA-UHFFFAOYSA-N 1 2 453.934 3.644 20 0 JHADLO CCN(CC)C(=O)CCCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001313642779 1070791646 /nfs/dbraw/zinc/79/16/46/1070791646.db2.gz KKEXYDDUKTYTSS-UHFFFAOYSA-N 1 2 473.691 3.671 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCOc2cccc(Cl)c2)c[nH+]1 ZINC001314660860 1070784993 /nfs/dbraw/zinc/78/49/93/1070784993.db2.gz NFFDTCOPZRSJIU-UHFFFAOYSA-N 1 2 465.989 3.962 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314661840 1070787591 /nfs/dbraw/zinc/78/75/91/1070787591.db2.gz SGAKMSQETOZOAL-LJQANCHMSA-N 1 2 471.650 3.822 20 0 JHADLO COCc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001309581537 1070868384 /nfs/dbraw/zinc/86/83/84/1070868384.db2.gz IQUFJQDBLBZOQX-UHFFFAOYSA-N 1 2 453.402 3.538 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCC(C)(F)F ZINC001314712018 1070894523 /nfs/dbraw/zinc/89/45/23/1070894523.db2.gz DQGFGJCYZYHJLP-QZTJIDSGSA-N 1 2 469.602 3.789 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1OCCC1(C)C ZINC001314712255 1070896354 /nfs/dbraw/zinc/89/63/54/1070896354.db2.gz JIFONPBVLOKHIS-ICSRJNTNSA-N 1 2 461.676 3.962 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F ZINC001314712556 1070897824 /nfs/dbraw/zinc/89/78/24/1070897824.db2.gz QSRMDNGSBMQLSJ-JKSUJKDBSA-N 1 2 491.605 3.606 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3cc(Cl)ccc3C2)c[nH+]1 ZINC001313674034 1070910017 /nfs/dbraw/zinc/91/00/17/1070910017.db2.gz HUTWAQRWPVRTPQ-UHFFFAOYSA-N 1 2 482.032 3.922 20 0 JHADLO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CCCNc1cccc[nH+]1 ZINC001314717323 1070908771 /nfs/dbraw/zinc/90/87/71/1070908771.db2.gz WZJDTXRTNLIZGQ-UHFFFAOYSA-N 1 2 458.286 3.931 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676471 1070921119 /nfs/dbraw/zinc/92/11/19/1070921119.db2.gz DSBOPNFUUGGYQH-DHIUTWEWSA-N 1 2 499.681 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC001313678038 1070927747 /nfs/dbraw/zinc/92/77/47/1070927747.db2.gz BBBCFDGVQOFMJK-NHCUHLMSSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001313678103 1070928571 /nfs/dbraw/zinc/92/85/71/1070928571.db2.gz CTNDWLSFDKWOCD-PXNSSMCTSA-N 1 2 489.546 3.709 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c[nH+]1 ZINC001313678625 1070930960 /nfs/dbraw/zinc/93/09/60/1070930960.db2.gz IIJCFVMJXLFDPW-NRFANRHFSA-N 1 2 481.689 3.993 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)c[nH+]1 ZINC001313679197 1070934053 /nfs/dbraw/zinc/93/40/53/1070934053.db2.gz LZLDQHGGNLXYIT-VGSWGCGISA-N 1 2 470.568 3.644 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OC)C2)c[nH+]1 ZINC001313678767 1070931667 /nfs/dbraw/zinc/93/16/67/1070931667.db2.gz IEVKRYKUYRGCQW-NRFANRHFSA-N 1 2 452.578 3.913 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)c[nH+]1 ZINC001313679759 1070936100 /nfs/dbraw/zinc/93/61/00/1070936100.db2.gz SSPCSYSTARNXNB-DENIHFKCSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001313679799 1070936857 /nfs/dbraw/zinc/93/68/57/1070936857.db2.gz UUMCSMAZGWITJD-LJQANCHMSA-N 1 2 498.031 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C)(C)CC2)c[nH+]1 ZINC001313680169 1070937599 /nfs/dbraw/zinc/93/75/99/1070937599.db2.gz WUWIKMFHGSSGHJ-UNMCSNQZSA-N 1 2 456.635 3.918 20 0 JHADLO O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001309729286 1070941820 /nfs/dbraw/zinc/94/18/20/1070941820.db2.gz OREYWSQVPMNLON-UHFFFAOYSA-N 1 2 459.559 3.706 20 0 JHADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001309746496 1070951167 /nfs/dbraw/zinc/95/11/67/1070951167.db2.gz IVPTXLRWHCSRPF-SZPZYZBQSA-N 1 2 457.640 3.606 20 0 JHADLO CN(Cc1cccc(F)c1)c1nnc(CC(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314742999 1070982949 /nfs/dbraw/zinc/98/29/49/1070982949.db2.gz FXZYKDRQGCKQOH-UHFFFAOYSA-N 1 2 452.578 3.922 20 0 JHADLO CN(Cc1ccsc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314768190 1071030626 /nfs/dbraw/zinc/03/06/26/1071030626.db2.gz NQUKBVSCWRHJMR-QZTJIDSGSA-N 1 2 460.554 3.508 20 0 JHADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313732662 1071050245 /nfs/dbraw/zinc/05/02/45/1071050245.db2.gz GFZLMSSZOLROEK-UHFFFAOYSA-N 1 2 461.614 3.783 20 0 JHADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001310022183 1071066775 /nfs/dbraw/zinc/06/67/75/1071066775.db2.gz SPIGHCDHDPHICM-HNNXBMFYSA-N 1 2 459.563 3.895 20 0 JHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033770 1071073988 /nfs/dbraw/zinc/07/39/88/1071073988.db2.gz GDNRXGJLQLBJKI-RXVVDRJESA-N 1 2 455.628 3.730 20 0 JHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033770 1071073999 /nfs/dbraw/zinc/07/39/99/1071073999.db2.gz GDNRXGJLQLBJKI-RXVVDRJESA-N 1 2 455.628 3.730 20 0 JHADLO CN(C[C@H]1CCCCO1)c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001314800415 1071080255 /nfs/dbraw/zinc/08/02/55/1071080255.db2.gz BIRPHZGMXNBWOT-GOSISDBHSA-N 1 2 488.434 3.949 20 0 JHADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)cc2)C1 ZINC001310044036 1071080671 /nfs/dbraw/zinc/08/06/71/1071080671.db2.gz XLIPGUQLHFFHOL-IEGUWTFLSA-N 1 2 456.612 3.661 20 0 JHADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)cc2)C1 ZINC001310044036 1071080686 /nfs/dbraw/zinc/08/06/86/1071080686.db2.gz XLIPGUQLHFFHOL-IEGUWTFLSA-N 1 2 456.612 3.661 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCOC ZINC001313780161 1071144092 /nfs/dbraw/zinc/14/40/92/1071144092.db2.gz XRWMTXTZCHCESP-UHFFFAOYSA-N 1 2 488.434 3.820 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001310140455 1071148588 /nfs/dbraw/zinc/14/85/88/1071148588.db2.gz SUQHXEJSNDJRDP-XMERXJNXSA-N 1 2 451.567 3.644 20 0 JHADLO CN(CCC1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314841019 1071189037 /nfs/dbraw/zinc/18/90/37/1071189037.db2.gz HTVRXILGDBNAEJ-NRFANRHFSA-N 1 2 473.572 3.513 20 0 JHADLO CN(CCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C)c1ccccc1F ZINC001314856420 1071238265 /nfs/dbraw/zinc/23/82/65/1071238265.db2.gz WGTFDGSPBMFEGC-UHFFFAOYSA-N 1 2 451.594 3.963 20 0 JHADLO CN(CCCNC(=O)C1CCC1)c1nnc(C(C)(C)C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314855520 1071236261 /nfs/dbraw/zinc/23/62/61/1071236261.db2.gz RWBUMYMMWCEVDM-FQEVSTJZSA-N 1 2 476.616 3.899 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3ccccc3F)n1CCN(C)CC(F)(F)F)C2 ZINC001314862172 1071254673 /nfs/dbraw/zinc/25/46/73/1071254673.db2.gz PAWXLKBOPJSYGY-UHFFFAOYSA-N 1 2 477.510 3.602 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C1CC(C(C)(C)C)C1 ZINC001314870650 1071281713 /nfs/dbraw/zinc/28/17/13/1071281713.db2.gz UOOWFXUAKNXFNZ-UHFFFAOYSA-N 1 2 489.064 3.627 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOC(C)(C)C ZINC001314874054 1071290972 /nfs/dbraw/zinc/29/09/72/1071290972.db2.gz LXURVCMHCOJIIB-UHFFFAOYSA-N 1 2 473.662 3.738 20 0 JHADLO COC(=O)c1cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(Br)cc1F ZINC001310351526 1071331058 /nfs/dbraw/zinc/33/10/58/1071331058.db2.gz WSTPKJCLLOEVGY-UHFFFAOYSA-N 1 2 451.296 3.878 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001310354722 1071333584 /nfs/dbraw/zinc/33/35/84/1071333584.db2.gz FYZLTGZDXVMOLB-ICSRJNTNSA-N 1 2 451.493 3.692 20 0 JHADLO COCc1c(Cl)cccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001310415577 1071377648 /nfs/dbraw/zinc/37/76/48/1071377648.db2.gz OCLYWLORINUYTO-MRXNPFEDSA-N 1 2 452.983 3.645 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001313926162 1071575646 /nfs/dbraw/zinc/57/56/46/1071575646.db2.gz AGRIWZBGVZXFCF-RPBOFIJWSA-N 1 2 498.716 3.753 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926451 1071576437 /nfs/dbraw/zinc/57/64/37/1071576437.db2.gz CHLKTMYJESIWTO-FQEVSTJZSA-N 1 2 458.626 3.791 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927539 1071580830 /nfs/dbraw/zinc/58/08/30/1071580830.db2.gz LXGQFRWGASLNES-QFIPXVFZSA-N 1 2 454.663 3.915 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929280 1071586697 /nfs/dbraw/zinc/58/66/97/1071586697.db2.gz YHYFNFGHJYWYKQ-QFIPXVFZSA-N 1 2 484.689 3.764 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001314008409 1071744348 /nfs/dbraw/zinc/74/43/48/1071744348.db2.gz LTZJIZJVYHWDRK-URXFXBBRSA-N 1 2 498.672 3.922 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314020440 1071771703 /nfs/dbraw/zinc/77/17/03/1071771703.db2.gz LKIZBGPGJNZUDD-FQEVSTJZSA-N 1 2 476.572 3.795 20 0 JHADLO CCO[C@@H](C)c1noc(CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC001314060613 1071895432 /nfs/dbraw/zinc/89/54/32/1071895432.db2.gz BYZRWCQDWYEJNY-ROUUACIJSA-N 1 2 456.595 3.676 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2ccoc2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305976221 1068314859 /nfs/dbraw/zinc/31/48/59/1068314859.db2.gz FAYWEPJWODLEOM-LJQANCHMSA-N 1 2 453.587 3.678 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305991267 1068352819 /nfs/dbraw/zinc/35/28/19/1068352819.db2.gz XKGVYSNJXOJKQR-REWPJTCUSA-N 1 2 473.687 3.718 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001306005100 1068382334 /nfs/dbraw/zinc/38/23/34/1068382334.db2.gz GJAMATLLSJMDEA-IEBWSBKVSA-N 1 2 469.659 3.509 20 0 JHADLO CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306081813 1068511329 /nfs/dbraw/zinc/51/13/29/1068511329.db2.gz PPZTVSCABZFKSG-HSZRJFAPSA-N 1 2 463.630 3.772 20 0 JHADLO CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306081815 1068512052 /nfs/dbraw/zinc/51/20/52/1068512052.db2.gz PPZTVSCABZFKSG-QHCPKHFHSA-N 1 2 463.630 3.772 20 0 JHADLO CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306133308 1068536236 /nfs/dbraw/zinc/53/62/36/1068536236.db2.gz FDUCYQGHBMEFDM-FYYLOGMGSA-N 1 2 498.672 3.607 20 0 JHADLO CCc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001306161869 1068557602 /nfs/dbraw/zinc/55/76/02/1068557602.db2.gz RLMOAYHUBBNJDV-RBUKOAKNSA-N 1 2 457.623 3.867 20 0 JHADLO CC[C@@H]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306312267 1068730933 /nfs/dbraw/zinc/73/09/33/1068730933.db2.gz GHFRFZSHQQRFKM-MBDNFAEBSA-N 1 2 490.693 3.644 20 0 JHADLO CCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001306364630 1068800359 /nfs/dbraw/zinc/80/03/59/1068800359.db2.gz OOUNGRZEDACGAL-IBGZPJMESA-N 1 2 489.064 3.862 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001306395869 1068842469 /nfs/dbraw/zinc/84/24/69/1068842469.db2.gz FMPBGERWLBLEMW-KRWDZBQOSA-N 1 2 490.475 3.887 20 0 JHADLO CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306400067 1068857646 /nfs/dbraw/zinc/85/76/46/1068857646.db2.gz MZHONIAKEDHMAU-YFNKSVMNSA-N 1 2 498.672 3.790 20 0 JHADLO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CCS1 ZINC001306400709 1068859412 /nfs/dbraw/zinc/85/94/12/1068859412.db2.gz YHVRELCZYBWLPU-URXFXBBRSA-N 1 2 459.660 3.987 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001306404226 1068869532 /nfs/dbraw/zinc/86/95/32/1068869532.db2.gz ZEKIGYZJDBZVJJ-QUCCMNQESA-N 1 2 489.667 3.576 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001306453841 1068974853 /nfs/dbraw/zinc/97/48/53/1068974853.db2.gz LDLJAZHEQFAGNR-SFHVURJKSA-N 1 2 488.386 3.687 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCS1 ZINC001306454216 1068975577 /nfs/dbraw/zinc/97/55/77/1068975577.db2.gz SMCBVXODJSRFES-SIKLNZKXSA-N 1 2 493.121 3.868 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306458918 1068992072 /nfs/dbraw/zinc/99/20/72/1068992072.db2.gz TWZFYVVZDQHWGQ-PXNSSMCTSA-N 1 2 454.550 3.509 20 0 JHADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(NCCc2ccccc2)cc1 ZINC001306473123 1069015786 /nfs/dbraw/zinc/01/57/86/1069015786.db2.gz NUVURURBURTQDQ-UHFFFAOYSA-N 1 2 457.578 3.804 20 0 JHADLO CCCC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC001306492693 1069032201 /nfs/dbraw/zinc/03/22/01/1069032201.db2.gz ASUZJYMLYQSRRI-UHFFFAOYSA-N 1 2 465.602 3.807 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306494695 1069038280 /nfs/dbraw/zinc/03/82/80/1069038280.db2.gz DJVKUVYZMJOQDZ-OAQYLSRUSA-N 1 2 467.662 3.894 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001310676544 1069103912 /nfs/dbraw/zinc/10/39/12/1069103912.db2.gz MPDGPZFKMXSDJM-SJLPKXTDSA-N 1 2 458.868 3.956 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001310676544 1069103914 /nfs/dbraw/zinc/10/39/14/1069103914.db2.gz MPDGPZFKMXSDJM-SJLPKXTDSA-N 1 2 458.868 3.956 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC001310708524 1069125570 /nfs/dbraw/zinc/12/55/70/1069125570.db2.gz VZXPQJWSSYABHH-UHFFFAOYSA-N 1 2 453.518 3.645 20 0 JHADLO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310821625 1069177989 /nfs/dbraw/zinc/17/79/89/1069177989.db2.gz SWCWWRVGABPOOX-SFHVURJKSA-N 1 2 459.388 3.787 20 0 JHADLO CCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306546340 1069202360 /nfs/dbraw/zinc/20/23/60/1069202360.db2.gz XHCNDANNPSQGND-AREMUKBSSA-N 1 2 464.614 3.740 20 0 JHADLO COC(=O)c1cc(Br)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC001310897334 1069213151 /nfs/dbraw/zinc/21/31/51/1069213151.db2.gz WGLAOVJBIOLROD-UHFFFAOYSA-N 1 2 452.374 3.955 20 0 JHADLO C[C@H](NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC001311006550 1069246345 /nfs/dbraw/zinc/24/63/45/1069246345.db2.gz JWHKNPAWOLDPOR-UWVGGRQHSA-N 1 2 458.250 3.718 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c[nH+]ccc1OC ZINC001306582391 1069246569 /nfs/dbraw/zinc/24/65/69/1069246569.db2.gz VEJLPUHRMZKRRY-SFHVURJKSA-N 1 2 450.591 3.529 20 0 JHADLO CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306589342 1069257928 /nfs/dbraw/zinc/25/79/28/1069257928.db2.gz DYRPUKLEBRSXCM-JOCHJYFZSA-N 1 2 478.645 3.627 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311244551 1069306851 /nfs/dbraw/zinc/30/68/51/1069306851.db2.gz KKUBIBAIZWWONV-ZWKOTPCHSA-N 1 2 453.768 3.999 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311244551 1069306859 /nfs/dbraw/zinc/30/68/59/1069306859.db2.gz KKUBIBAIZWWONV-ZWKOTPCHSA-N 1 2 453.768 3.999 20 0 JHADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164415806 718889866 /nfs/dbraw/zinc/88/98/66/718889866.db2.gz BOHPXFCGOUUQPQ-LBPRGKRZSA-N 1 2 487.736 3.729 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1=O ZINC001164633981 719271966 /nfs/dbraw/zinc/27/19/66/719271966.db2.gz KLWDHFDAPQEDGG-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1=O ZINC001164633981 719271970 /nfs/dbraw/zinc/27/19/70/719271970.db2.gz KLWDHFDAPQEDGG-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC2)C1=O ZINC001164639175 719279590 /nfs/dbraw/zinc/27/95/90/719279590.db2.gz JEMDDUNJEJWWLT-UHFFFAOYSA-N 1 2 480.012 3.710 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC2)C1=O ZINC001164639175 719279591 /nfs/dbraw/zinc/27/95/91/719279591.db2.gz JEMDDUNJEJWWLT-UHFFFAOYSA-N 1 2 480.012 3.710 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164663130 719356164 /nfs/dbraw/zinc/35/61/64/719356164.db2.gz CJBSSTMMLHDURB-FQEVSTJZSA-N 1 2 495.027 3.992 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164663130 719356167 /nfs/dbraw/zinc/35/61/67/719356167.db2.gz CJBSSTMMLHDURB-FQEVSTJZSA-N 1 2 495.027 3.992 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164703938 719849882 /nfs/dbraw/zinc/84/98/82/719849882.db2.gz RICAFORTSNHGPF-XOBRGWDASA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001164704333 719876542 /nfs/dbraw/zinc/87/65/42/719876542.db2.gz LAEGTLJOVUDFIU-QRQCRPRQSA-N 1 2 483.371 3.822 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1 ZINC001164704312 719878603 /nfs/dbraw/zinc/87/86/03/719878603.db2.gz VFTGKMBBFMRWFR-HOYKHHGWSA-N 1 2 474.989 3.717 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164823281 720366477 /nfs/dbraw/zinc/36/64/77/720366477.db2.gz DEHKHQSITXFJHS-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164823281 720366483 /nfs/dbraw/zinc/36/64/83/720366483.db2.gz DEHKHQSITXFJHS-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164820359 720379547 /nfs/dbraw/zinc/37/95/47/720379547.db2.gz OMBKVEBNBREQGN-UHFFFAOYSA-N 1 2 499.644 3.770 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164820359 720379552 /nfs/dbraw/zinc/37/95/52/720379552.db2.gz OMBKVEBNBREQGN-UHFFFAOYSA-N 1 2 499.644 3.770 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164822860 720382232 /nfs/dbraw/zinc/38/22/32/720382232.db2.gz MGSBUQYJPZIDHS-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164822860 720382239 /nfs/dbraw/zinc/38/22/39/720382239.db2.gz MGSBUQYJPZIDHS-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826834 720397881 /nfs/dbraw/zinc/39/78/81/720397881.db2.gz DDDNIHPMPHOUOP-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736207 720537447 /nfs/dbraw/zinc/53/74/47/720537447.db2.gz VXVKKRLCULOMJS-NEKDWFFYSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736207 720537453 /nfs/dbraw/zinc/53/74/53/720537453.db2.gz VXVKKRLCULOMJS-NEKDWFFYSA-N 1 2 471.605 3.884 20 0 JHADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756808 720974524 /nfs/dbraw/zinc/97/45/24/720974524.db2.gz LMMDWBSNAKJIMV-MRXNPFEDSA-N 1 2 452.937 3.535 20 0 JHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758594 720985084 /nfs/dbraw/zinc/98/50/84/720985084.db2.gz WNBHDDWVGPKJJE-ZDUSSCGKSA-N 1 2 454.934 3.630 20 0 JHADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768114 721275750 /nfs/dbraw/zinc/27/57/50/721275750.db2.gz JZIOGVGLYOJMEG-AWEZNQCLSA-N 1 2 457.872 3.530 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001165008910 721708833 /nfs/dbraw/zinc/70/88/33/721708833.db2.gz KTUXMZAQAGILBR-UHFFFAOYSA-N 1 2 492.024 3.708 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001165008910 721708835 /nfs/dbraw/zinc/70/88/35/721708835.db2.gz KTUXMZAQAGILBR-UHFFFAOYSA-N 1 2 492.024 3.708 20 0 JHADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915285 721801412 /nfs/dbraw/zinc/80/14/12/721801412.db2.gz VMKFXYXYZVNSES-QFIPXVFZSA-N 1 2 464.944 3.660 20 0 JHADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915285 721801413 /nfs/dbraw/zinc/80/14/13/721801413.db2.gz VMKFXYXYZVNSES-QFIPXVFZSA-N 1 2 464.944 3.660 20 0 JHADLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164935363 721910293 /nfs/dbraw/zinc/91/02/93/721910293.db2.gz FWCKPAVUSRUTOJ-OFNKIYASSA-N 1 2 457.553 3.525 20 0 JHADLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164935363 721910297 /nfs/dbraw/zinc/91/02/97/721910297.db2.gz FWCKPAVUSRUTOJ-OFNKIYASSA-N 1 2 457.553 3.525 20 0 JHADLO COc1cc2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)[nH+]c2cc1OC ZINC001164986929 722183791 /nfs/dbraw/zinc/18/37/91/722183791.db2.gz FVXOIOAGWSHLLA-NHCUHLMSSA-N 1 2 454.596 3.887 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306632855 1069335010 /nfs/dbraw/zinc/33/50/10/1069335010.db2.gz NNZUZFSCVXBXDM-LJQANCHMSA-N 1 2 454.550 3.511 20 0 JHADLO Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2)cc1 ZINC001311437940 1069379346 /nfs/dbraw/zinc/37/93/46/1069379346.db2.gz QTJLWSOMSGUJHI-HSZRJFAPSA-N 1 2 459.594 3.823 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001311449186 1069383998 /nfs/dbraw/zinc/38/39/98/1069383998.db2.gz VPUGIOIWCKLWAD-NZQKXSOJSA-N 1 2 450.514 3.773 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCC[C@H](O)C(F)F)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311450240 1069384607 /nfs/dbraw/zinc/38/46/07/1069384607.db2.gz BMOMTWGXFGWSJZ-ROUUACIJSA-N 1 2 455.596 3.885 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCC[C@H](O)C(F)F)[N@H+]2CCc3sccc3C2)cc1 ZINC001311450240 1069384610 /nfs/dbraw/zinc/38/46/10/1069384610.db2.gz BMOMTWGXFGWSJZ-ROUUACIJSA-N 1 2 455.596 3.885 20 0 JHADLO CCCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306665720 1069392581 /nfs/dbraw/zinc/39/25/81/1069392581.db2.gz VEFNHCDIMCWYLZ-RUZDIDTESA-N 1 2 456.635 3.989 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491041 1069402868 /nfs/dbraw/zinc/40/28/68/1069402868.db2.gz OFHSKWVHMKAKFM-FGZHOGPDSA-N 1 2 456.562 3.765 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491041 1069402872 /nfs/dbraw/zinc/40/28/72/1069402872.db2.gz OFHSKWVHMKAKFM-FGZHOGPDSA-N 1 2 456.562 3.765 20 0 JHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311598738 1069458611 /nfs/dbraw/zinc/45/86/11/1069458611.db2.gz UKCTWTZPEZEOHR-RHSMWYFYSA-N 1 2 459.348 3.555 20 0 JHADLO O=C(Nc1cccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1)c1ccccn1 ZINC001311637510 1069483486 /nfs/dbraw/zinc/48/34/86/1069483486.db2.gz OKXSEFOYSLWSTA-XFFZJAGNSA-N 1 2 455.562 3.875 20 0 JHADLO O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001311727421 1069524079 /nfs/dbraw/zinc/52/40/79/1069524079.db2.gz ONOKGOHMRHYTQS-UHFFFAOYSA-N 1 2 456.974 3.574 20 0 JHADLO O=C(NCCc1ccc(I)s1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001311833876 1069570157 /nfs/dbraw/zinc/57/01/57/1069570157.db2.gz YNVXOSJQQLLGPP-UHFFFAOYSA-N 1 2 456.353 3.576 20 0 JHADLO CCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306772933 1069570883 /nfs/dbraw/zinc/57/08/83/1069570883.db2.gz JVVXZJCYBFQSJV-QGZVFWFLSA-N 1 2 456.541 3.662 20 0 JHADLO CCCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306799262 1069604809 /nfs/dbraw/zinc/60/48/09/1069604809.db2.gz LROMCQQKQCHMDF-UHFFFAOYSA-N 1 2 464.614 3.990 20 0 JHADLO CCCN(Cc1ccc(F)cc1C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306809110 1069627144 /nfs/dbraw/zinc/62/71/44/1069627144.db2.gz STTHKZKMXTZYCK-UNMCSNQZSA-N 1 2 459.610 3.757 20 0 JHADLO CCOc1cc(CCCn2c(CC)nnc2N2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC001314157055 1069630384 /nfs/dbraw/zinc/63/03/84/1069630384.db2.gz AKXPNEUKXDPINL-UHFFFAOYSA-N 1 2 450.587 3.602 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314178849 1069716805 /nfs/dbraw/zinc/71/68/05/1069716805.db2.gz GUAIRGHOGWKQNN-FQEVSTJZSA-N 1 2 493.486 3.572 20 0 JHADLO CCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001307027352 1069734068 /nfs/dbraw/zinc/73/40/68/1069734068.db2.gz NOEZEFSMKRBVRC-UHFFFAOYSA-N 1 2 461.035 3.898 20 0 JHADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001312156211 1069755301 /nfs/dbraw/zinc/75/53/01/1069755301.db2.gz QSEUQHFXRFVOLJ-HXUWFJFHSA-N 1 2 454.640 3.618 20 0 JHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)[nH+]c12 ZINC001312156788 1069756230 /nfs/dbraw/zinc/75/62/30/1069756230.db2.gz HMKCBOQUEZVOAO-VQTJNVASSA-N 1 2 455.603 3.864 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314216855 1069851225 /nfs/dbraw/zinc/85/12/25/1069851225.db2.gz MREDUWOQNJIZTC-QHAWAJNXSA-N 1 2 457.619 3.601 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1cccc(F)c1 ZINC001312321332 1069861793 /nfs/dbraw/zinc/86/17/93/1069861793.db2.gz QOMXQIROPGFDNA-QHAWAJNXSA-N 1 2 469.561 3.502 20 0 JHADLO O=C(NCc1ccccc1-n1cccn1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312320968 1069861863 /nfs/dbraw/zinc/86/18/63/1069861863.db2.gz CBORZYJWIFEHEZ-UHFFFAOYSA-N 1 2 459.472 3.798 20 0 JHADLO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001307065829 1069872461 /nfs/dbraw/zinc/87/24/61/1069872461.db2.gz RGRAMSLNBOZMHR-UHFFFAOYSA-N 1 2 464.589 3.793 20 0 JHADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)CCS2 ZINC001312349706 1069879122 /nfs/dbraw/zinc/87/91/22/1069879122.db2.gz HGBBSTKPTIRMGM-CKYXRZNPSA-N 1 2 456.612 3.758 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314226119 1069894369 /nfs/dbraw/zinc/89/43/69/1069894369.db2.gz QCFIZRXJLROOSZ-GUDVDZBRSA-N 1 2 497.562 3.611 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427636 1069931103 /nfs/dbraw/zinc/93/11/03/1069931103.db2.gz XLXYFDLFLVFVFW-JAXLGGSGSA-N 1 2 452.382 3.572 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427636 1069931114 /nfs/dbraw/zinc/93/11/14/1069931114.db2.gz XLXYFDLFLVFVFW-JAXLGGSGSA-N 1 2 452.382 3.572 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)([NH+]2CCOCC2)C1 ZINC001314239965 1069940952 /nfs/dbraw/zinc/94/09/52/1069940952.db2.gz JBWVNIFOFXJFLE-AMDQQPAGSA-N 1 2 473.584 3.696 20 0 JHADLO C[C@H](C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415733 1069973451 /nfs/dbraw/zinc/97/34/51/1069973451.db2.gz OAUWSOKDCLRPQG-JPYJTQIMSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@H](C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415733 1069973471 /nfs/dbraw/zinc/97/34/71/1069973471.db2.gz OAUWSOKDCLRPQG-JPYJTQIMSA-N 1 2 455.574 3.825 20 0 JHADLO O[C@@H](COc1ccccc1C(F)(F)F)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001307417805 1069974922 /nfs/dbraw/zinc/97/49/22/1069974922.db2.gz OROJXYCHZYELLP-CQSZACIVSA-N 1 2 450.288 3.969 20 0 JHADLO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3I)CC2)cc1C ZINC001307424356 1069977875 /nfs/dbraw/zinc/97/78/75/1069977875.db2.gz TWLJCUVORIBFRF-UHFFFAOYSA-N 1 2 450.320 3.566 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)c1 ZINC001307464738 1070000641 /nfs/dbraw/zinc/00/06/41/1070000641.db2.gz IUYKZPKRSQKRFF-VBKZILBWSA-N 1 2 450.352 3.502 20 0 JHADLO Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478450 1070006857 /nfs/dbraw/zinc/00/68/57/1070006857.db2.gz JNZCXHKKJKPNDW-ZJSXRUAMSA-N 1 2 456.583 3.651 20 0 JHADLO Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478450 1070006871 /nfs/dbraw/zinc/00/68/71/1070006871.db2.gz JNZCXHKKJKPNDW-ZJSXRUAMSA-N 1 2 456.583 3.651 20 0 JHADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC001307485472 1070012300 /nfs/dbraw/zinc/01/23/00/1070012300.db2.gz HZBVYVCAOXDQJI-OAHLLOKOSA-N 1 2 450.582 3.511 20 0 JHADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC001307485472 1070012312 /nfs/dbraw/zinc/01/23/12/1070012312.db2.gz HZBVYVCAOXDQJI-OAHLLOKOSA-N 1 2 450.582 3.511 20 0 JHADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC001307491202 1070015561 /nfs/dbraw/zinc/01/55/61/1070015561.db2.gz VESHQICYTIGWMN-GOSISDBHSA-N 1 2 454.958 3.853 20 0 JHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCN2CCN(c3ccccc3)CC2)ccc1Br ZINC001307488221 1070013779 /nfs/dbraw/zinc/01/37/79/1070013779.db2.gz FHHQHNURXDJVBA-LJQANCHMSA-N 1 2 459.432 3.839 20 0 JHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CCN(c3ccccc3)CC2)ccc1Br ZINC001307488221 1070013791 /nfs/dbraw/zinc/01/37/91/1070013791.db2.gz FHHQHNURXDJVBA-LJQANCHMSA-N 1 2 459.432 3.839 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307528596 1070036254 /nfs/dbraw/zinc/03/62/54/1070036254.db2.gz ILVAOLUJPDGUAR-XJKSGUPXSA-N 1 2 453.605 3.715 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307528596 1070036268 /nfs/dbraw/zinc/03/62/68/1070036268.db2.gz ILVAOLUJPDGUAR-XJKSGUPXSA-N 1 2 453.605 3.715 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001307554895 1070049729 /nfs/dbraw/zinc/04/97/29/1070049729.db2.gz IQHQKGQOMFBFOJ-HNNXBMFYSA-N 1 2 453.568 3.835 20 0 JHADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC001307579811 1070061960 /nfs/dbraw/zinc/06/19/60/1070061960.db2.gz QBBDHKLRIGGZDE-CQSZACIVSA-N 1 2 456.461 3.904 20 0 JHADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC001307579811 1070061973 /nfs/dbraw/zinc/06/19/73/1070061973.db2.gz QBBDHKLRIGGZDE-CQSZACIVSA-N 1 2 456.461 3.904 20 0 JHADLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001307597093 1070072383 /nfs/dbraw/zinc/07/23/83/1070072383.db2.gz KQKIBIVDBDUGAE-INIZCTEOSA-N 1 2 450.808 3.925 20 0 JHADLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC001307597541 1070072507 /nfs/dbraw/zinc/07/25/07/1070072507.db2.gz OHOAYVLSYOFTBQ-ZDUSSCGKSA-N 1 2 454.888 3.887 20 0 JHADLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC001307597541 1070072524 /nfs/dbraw/zinc/07/25/24/1070072524.db2.gz OHOAYVLSYOFTBQ-ZDUSSCGKSA-N 1 2 454.888 3.887 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715874 1070091964 /nfs/dbraw/zinc/09/19/64/1070091964.db2.gz BNNALBCMNDSVBF-QFBILLFUSA-N 1 2 454.974 3.781 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715874 1070091984 /nfs/dbraw/zinc/09/19/84/1070091984.db2.gz BNNALBCMNDSVBF-QFBILLFUSA-N 1 2 454.974 3.781 20 0 JHADLO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)F)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)n1 ZINC001492479596 1070094528 /nfs/dbraw/zinc/09/45/28/1070094528.db2.gz HFCRMSMMWIOKBV-JOCHJYFZSA-N 1 2 487.599 3.613 20 0 JHADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC001307648290 1070100826 /nfs/dbraw/zinc/10/08/26/1070100826.db2.gz ZORYPCKNSUUDCB-NRFANRHFSA-N 1 2 459.493 3.817 20 0 JHADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC001307648290 1070100832 /nfs/dbraw/zinc/10/08/32/1070100832.db2.gz ZORYPCKNSUUDCB-NRFANRHFSA-N 1 2 459.493 3.817 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)c3ccc(-n4cccn4)c(F)c3)C2)cc1 ZINC001312746570 1070101030 /nfs/dbraw/zinc/10/10/30/1070101030.db2.gz MSGROGHBAPOTDJ-DENIHFKCSA-N 1 2 451.546 3.581 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)c3ccc(-n4cccn4)c(F)c3)C2)cc1 ZINC001312746570 1070101036 /nfs/dbraw/zinc/10/10/36/1070101036.db2.gz MSGROGHBAPOTDJ-DENIHFKCSA-N 1 2 451.546 3.581 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC/C=C\c3ccc(Br)cc3)C2)cc1 ZINC001312755688 1070106100 /nfs/dbraw/zinc/10/61/00/1070106100.db2.gz RTWHORWIMIXSQE-VZAIRTMBSA-N 1 2 458.400 3.971 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC/C=C\c3ccc(Br)cc3)C2)cc1 ZINC001312755688 1070106106 /nfs/dbraw/zinc/10/61/06/1070106106.db2.gz RTWHORWIMIXSQE-VZAIRTMBSA-N 1 2 458.400 3.971 20 0 JHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1 ZINC001307659261 1070107203 /nfs/dbraw/zinc/10/72/03/1070107203.db2.gz RZXRFYCKRPEGML-INIZCTEOSA-N 1 2 458.609 3.820 20 0 JHADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307665079 1070111146 /nfs/dbraw/zinc/11/11/46/1070111146.db2.gz PSOSZXQROVUAEK-JXFKEZNVSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307665079 1070111154 /nfs/dbraw/zinc/11/11/54/1070111154.db2.gz PSOSZXQROVUAEK-JXFKEZNVSA-N 1 2 454.951 3.673 20 0 JHADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001312767941 1070112233 /nfs/dbraw/zinc/11/22/33/1070112233.db2.gz DHQBDSPXOPOEID-HOCLYGCPSA-N 1 2 458.828 3.885 20 0 JHADLO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(C)c1 ZINC001307677282 1070119519 /nfs/dbraw/zinc/11/95/19/1070119519.db2.gz MGOBHCSOKIPCHN-MRXNPFEDSA-N 1 2 453.534 3.800 20 0 JHADLO Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(C)c1 ZINC001307677282 1070119526 /nfs/dbraw/zinc/11/95/26/1070119526.db2.gz MGOBHCSOKIPCHN-MRXNPFEDSA-N 1 2 453.534 3.800 20 0 JHADLO CN(C)c1cccc(C[N@H+](C)Cc2cccc(Br)c2OCCS(C)(=O)=O)c1 ZINC001307690496 1070128128 /nfs/dbraw/zinc/12/81/28/1070128128.db2.gz JZRXBDNZYOJPAN-UHFFFAOYSA-N 1 2 455.418 3.571 20 0 JHADLO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(Br)c2OCCS(C)(=O)=O)c1 ZINC001307690496 1070128138 /nfs/dbraw/zinc/12/81/38/1070128138.db2.gz JZRXBDNZYOJPAN-UHFFFAOYSA-N 1 2 455.418 3.571 20 0 JHADLO CCOCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001314334634 1070128850 /nfs/dbraw/zinc/12/88/50/1070128850.db2.gz OIMGTUUMYDJRGW-QHCPKHFHSA-N 1 2 454.663 3.505 20 0 JHADLO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC001307697121 1070133380 /nfs/dbraw/zinc/13/33/80/1070133380.db2.gz XEALSQQRBVGZGW-FUHWJXTLSA-N 1 2 459.384 3.973 20 0 JHADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC001307697122 1070133518 /nfs/dbraw/zinc/13/35/18/1070133518.db2.gz XEALSQQRBVGZGW-SJLPKXTDSA-N 1 2 459.384 3.973 20 0 JHADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC001307697120 1070133580 /nfs/dbraw/zinc/13/35/80/1070133580.db2.gz XEALSQQRBVGZGW-AEFFLSMTSA-N 1 2 459.384 3.973 20 0 JHADLO COc1cccc(OC)c1OC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC001312819425 1070141594 /nfs/dbraw/zinc/14/15/94/1070141594.db2.gz BCARESVRQHGCRP-UHFFFAOYSA-N 1 2 450.539 3.702 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748664 1070164844 /nfs/dbraw/zinc/16/48/44/1070164844.db2.gz IGEOVTLNLABVET-NHCUHLMSSA-N 1 2 453.539 3.787 20 0 JHADLO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748664 1070164852 /nfs/dbraw/zinc/16/48/52/1070164852.db2.gz IGEOVTLNLABVET-NHCUHLMSSA-N 1 2 453.539 3.787 20 0 JHADLO CC(=O)N1CCC([N@H+](Cc2cncs2)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001307795278 1070185283 /nfs/dbraw/zinc/18/52/83/1070185283.db2.gz VUNAZXQQJUQJQZ-HXUWFJFHSA-N 1 2 450.967 3.554 20 0 JHADLO CC(=O)N1CCC([N@@H+](Cc2cncs2)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001307795278 1070185291 /nfs/dbraw/zinc/18/52/91/1070185291.db2.gz VUNAZXQQJUQJQZ-HXUWFJFHSA-N 1 2 450.967 3.554 20 0 JHADLO CCOc1ccc(-c2nc(CN3CC[NH+]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)co2)cc1 ZINC001307816907 1070197797 /nfs/dbraw/zinc/19/77/97/1070197797.db2.gz HYOMGEQUQSARNL-OAQYLSRUSA-N 1 2 456.587 3.867 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001307854570 1070212061 /nfs/dbraw/zinc/21/20/61/1070212061.db2.gz IMKIXOABXQAXBW-QZTJIDSGSA-N 1 2 450.649 3.613 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC001307911269 1070236114 /nfs/dbraw/zinc/23/61/14/1070236114.db2.gz XRKCUTJFEAQMMT-SQWLQELKSA-N 1 2 457.884 3.888 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC001307911269 1070236123 /nfs/dbraw/zinc/23/61/23/1070236123.db2.gz XRKCUTJFEAQMMT-SQWLQELKSA-N 1 2 457.884 3.888 20 0 JHADLO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C1)O2 ZINC001307916074 1070238278 /nfs/dbraw/zinc/23/82/78/1070238278.db2.gz ZXZGVRXUARRQJW-UFYCRDLUSA-N 1 2 452.448 3.674 20 0 JHADLO COc1ccc2c(c1)C[C@@H](C[N@H+]1CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C1)O2 ZINC001307916074 1070238288 /nfs/dbraw/zinc/23/82/88/1070238288.db2.gz ZXZGVRXUARRQJW-UFYCRDLUSA-N 1 2 452.448 3.674 20 0 JHADLO CCCCCC[C@@](O)(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)OC ZINC001307920131 1070241772 /nfs/dbraw/zinc/24/17/72/1070241772.db2.gz HNUVLQWSKSKOJL-CNNODRBYSA-N 1 2 476.511 3.537 20 0 JHADLO CCCCCC[C@@](O)(C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)OC ZINC001307920131 1070241789 /nfs/dbraw/zinc/24/17/89/1070241789.db2.gz HNUVLQWSKSKOJL-CNNODRBYSA-N 1 2 476.511 3.537 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCc1sccc1C ZINC001314392916 1070250502 /nfs/dbraw/zinc/25/05/02/1070250502.db2.gz XGFVEMNZAUJFES-UHFFFAOYSA-N 1 2 469.659 3.976 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1Cc1cscc1C ZINC001314397892 1070257946 /nfs/dbraw/zinc/25/79/46/1070257946.db2.gz WSVHYPVVVBYKMZ-UHFFFAOYSA-N 1 2 459.591 3.703 20 0 JHADLO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961617 1070259103 /nfs/dbraw/zinc/25/91/03/1070259103.db2.gz GRDYYQZHBXMCOX-MHECFPHRSA-N 1 2 456.612 3.952 20 0 JHADLO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961617 1070259113 /nfs/dbraw/zinc/25/91/13/1070259113.db2.gz GRDYYQZHBXMCOX-MHECFPHRSA-N 1 2 456.612 3.952 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307994994 1070273545 /nfs/dbraw/zinc/27/35/45/1070273545.db2.gz AQLYJXNQELVUNI-JKSUJKDBSA-N 1 2 453.605 3.939 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307994994 1070273566 /nfs/dbraw/zinc/27/35/66/1070273566.db2.gz AQLYJXNQELVUNI-JKSUJKDBSA-N 1 2 453.605 3.939 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307994992 1070273909 /nfs/dbraw/zinc/27/39/09/1070273909.db2.gz AQLYJXNQELVUNI-HOTGVXAUSA-N 1 2 453.605 3.939 20 0 JHADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307994992 1070273927 /nfs/dbraw/zinc/27/39/27/1070273927.db2.gz AQLYJXNQELVUNI-HOTGVXAUSA-N 1 2 453.605 3.939 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC001313164234 1070275323 /nfs/dbraw/zinc/27/53/23/1070275323.db2.gz XQPYIKUXJVMGKM-QGZVFWFLSA-N 1 2 458.628 3.991 20 0 JHADLO Cn1c[nH+]cc1CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001313182592 1070284852 /nfs/dbraw/zinc/28/48/52/1070284852.db2.gz MOCPUUAFMUOEAH-SFHVURJKSA-N 1 2 453.406 3.669 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314421099 1070293522 /nfs/dbraw/zinc/29/35/22/1070293522.db2.gz OUFVKGVHPYKBGK-WMTXJRDZSA-N 1 2 455.647 3.794 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)n1 ZINC001313305853 1070321612 /nfs/dbraw/zinc/32/16/12/1070321612.db2.gz NLUJVOBPZMDNDU-JOCHJYFZSA-N 1 2 453.653 3.677 20 0 JHADLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2I)c(Cl)c1 ZINC001308143958 1070327516 /nfs/dbraw/zinc/32/75/16/1070327516.db2.gz QGCVRULNRVQCHP-SJCJKPOMSA-N 1 2 458.727 3.903 20 0 JHADLO Cc1noc([C@H](NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C(C)C)n1 ZINC001313437038 1070360717 /nfs/dbraw/zinc/36/07/17/1070360717.db2.gz NJQZTZLWJOSBCE-MRXNPFEDSA-N 1 2 451.325 3.539 20 0 JHADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNc1ccc(-c2cnn(C)c2)c(C)[nH+]1 ZINC001308414069 1070372471 /nfs/dbraw/zinc/37/24/71/1070372471.db2.gz JVAGREGDJBNLQD-CQSZACIVSA-N 1 2 458.360 3.678 20 0 JHADLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)on1 ZINC001308686691 1070418394 /nfs/dbraw/zinc/41/83/94/1070418394.db2.gz GMLWMISPHVNQIM-UHFFFAOYSA-N 1 2 457.980 3.781 20 0 JHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001308728311 1070426903 /nfs/dbraw/zinc/42/69/03/1070426903.db2.gz DRRBSYAUTKNGDU-GOSISDBHSA-N 1 2 451.036 3.823 20 0 JHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001308728311 1070426905 /nfs/dbraw/zinc/42/69/05/1070426905.db2.gz DRRBSYAUTKNGDU-GOSISDBHSA-N 1 2 451.036 3.823 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001313465303 1070432583 /nfs/dbraw/zinc/43/25/83/1070432583.db2.gz NNTPLWKFYYRRNB-HSZRJFAPSA-N 1 2 477.657 3.902 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001313468431 1070448077 /nfs/dbraw/zinc/44/80/77/1070448077.db2.gz KXCSSSWVGZLMEG-UHFFFAOYSA-N 1 2 482.032 3.850 20 0 JHADLO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001308859868 1070450077 /nfs/dbraw/zinc/45/00/77/1070450077.db2.gz LZUWKTGXCRRSFU-ICSRJNTNSA-N 1 2 451.464 3.564 20 0 JHADLO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001308859868 1070450082 /nfs/dbraw/zinc/45/00/82/1070450082.db2.gz LZUWKTGXCRRSFU-ICSRJNTNSA-N 1 2 451.464 3.564 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882447 1070454257 /nfs/dbraw/zinc/45/42/57/1070454257.db2.gz OKCYHIASNRYYNO-UQBPGWFLSA-N 1 2 454.571 3.928 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882447 1070454262 /nfs/dbraw/zinc/45/42/62/1070454262.db2.gz OKCYHIASNRYYNO-UQBPGWFLSA-N 1 2 454.571 3.928 20 0 JHADLO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)c(Br)cc1F ZINC001308992905 1070472467 /nfs/dbraw/zinc/47/24/67/1070472467.db2.gz KCJNSSOMVNQIIP-AWEZNQCLSA-N 1 2 451.745 3.950 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308966198 1070468513 /nfs/dbraw/zinc/46/85/13/1070468513.db2.gz PBMSTYFADLDUON-NUJGCVRESA-N 1 2 455.393 3.959 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001309048328 1070506956 /nfs/dbraw/zinc/50/69/56/1070506956.db2.gz CRDKZCGQVVOONL-KRWDZBQOSA-N 1 2 451.386 3.595 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001309048328 1070506968 /nfs/dbraw/zinc/50/69/68/1070506968.db2.gz CRDKZCGQVVOONL-KRWDZBQOSA-N 1 2 451.386 3.595 20 0 JHADLO CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314529950 1070523914 /nfs/dbraw/zinc/52/39/14/1070523914.db2.gz FJAYWWYOUDPYML-UHFFFAOYSA-N 1 2 496.681 3.701 20 0 JHADLO CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001314562730 1070564550 /nfs/dbraw/zinc/56/45/50/1070564550.db2.gz DKTMRXIOFKJDMQ-ASPBEGMCSA-N 1 2 471.627 3.507 20 0 JHADLO CC[S@](=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314565194 1070570297 /nfs/dbraw/zinc/57/02/97/1070570297.db2.gz ZXQLUKUMTAMDHD-PQTGOYLHSA-N 1 2 493.743 3.590 20 0 JHADLO CC[S@](=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314565194 1070570306 /nfs/dbraw/zinc/57/03/06/1070570306.db2.gz ZXQLUKUMTAMDHD-PQTGOYLHSA-N 1 2 493.743 3.590 20 0 JHADLO CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(C(C)C)c1 ZINC001309157432 1070574970 /nfs/dbraw/zinc/57/49/70/1070574970.db2.gz PXBRRBCFCSSYHO-UHFFFAOYSA-N 1 2 451.677 3.888 20 0 JHADLO Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001309232994 1070631552 /nfs/dbraw/zinc/63/15/52/1070631552.db2.gz GANSXVAYISUVSH-UHFFFAOYSA-N 1 2 452.418 3.771 20 0 JHADLO CC[C@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309282510 1070666995 /nfs/dbraw/zinc/66/69/95/1070666995.db2.gz LVGNDAOENOZFPA-DQEYMECFSA-N 1 2 456.608 3.581 20 0 JHADLO CC[C@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309282510 1070666998 /nfs/dbraw/zinc/66/69/98/1070666998.db2.gz LVGNDAOENOZFPA-DQEYMECFSA-N 1 2 456.608 3.581 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309314573 1070692692 /nfs/dbraw/zinc/69/26/92/1070692692.db2.gz QACZXYSHIKGHSQ-CVEARBPZSA-N 1 2 458.502 3.877 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001309314573 1070692696 /nfs/dbraw/zinc/69/26/96/1070692696.db2.gz QACZXYSHIKGHSQ-CVEARBPZSA-N 1 2 458.502 3.877 20 0 JHADLO COc1c(C)cc(C)cc1S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001309389130 1070739416 /nfs/dbraw/zinc/73/94/16/1070739416.db2.gz BLCUEUUINXUTHQ-UHFFFAOYSA-N 1 2 452.374 3.552 20 0 JHADLO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC001313620972 1070748016 /nfs/dbraw/zinc/74/80/16/1070748016.db2.gz GUYQYLIYNDUYIU-OYRHEFFESA-N 1 2 499.660 3.563 20 0 JHADLO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001313624237 1070752982 /nfs/dbraw/zinc/75/29/82/1070752982.db2.gz NCEDFCAMRKOXMK-OALUTQOASA-N 1 2 462.639 3.671 20 0 JHADLO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001313624237 1070752992 /nfs/dbraw/zinc/75/29/92/1070752992.db2.gz NCEDFCAMRKOXMK-OALUTQOASA-N 1 2 462.639 3.671 20 0 JHADLO C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCSC(C)(C)C1)c1c(F)cccc1F ZINC001314649839 1070757394 /nfs/dbraw/zinc/75/73/94/1070757394.db2.gz DVFUINFJRVJVDE-YJBOKZPZSA-N 1 2 451.587 3.695 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314651604 1070761281 /nfs/dbraw/zinc/76/12/81/1070761281.db2.gz DFANNKZEWVTQFO-PXNSSMCTSA-N 1 2 474.600 3.748 20 0 JHADLO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1)c1c(F)cccc1F ZINC001314655716 1070773478 /nfs/dbraw/zinc/77/34/78/1070773478.db2.gz SUOYWSJELPICRL-MRXNPFEDSA-N 1 2 496.534 3.696 20 0 JHADLO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001313639550 1070783042 /nfs/dbraw/zinc/78/30/42/1070783042.db2.gz KGOMTDCRDUHCPY-UHFFFAOYSA-N 1 2 477.613 3.657 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3cccnc3)n1CCSCC(F)(F)F)C2 ZINC001314663187 1070791179 /nfs/dbraw/zinc/79/11/79/1070791179.db2.gz CTVMQLVSHZHHMA-UHFFFAOYSA-N 1 2 463.533 3.659 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccccc3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001314661770 1070787136 /nfs/dbraw/zinc/78/71/36/1070787136.db2.gz ZYMICGYINPWJQR-UHFFFAOYSA-N 1 2 459.520 3.529 20 0 JHADLO CCN(CC)C(=O)CCCn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001313644407 1070798030 /nfs/dbraw/zinc/79/80/30/1070798030.db2.gz RZXHEPICNCRLJO-UHFFFAOYSA-N 1 2 459.038 3.780 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001313646890 1070809094 /nfs/dbraw/zinc/80/90/94/1070809094.db2.gz ILBUYBGRDVVYPE-IBGZPJMESA-N 1 2 484.670 3.777 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001313672140 1070902545 /nfs/dbraw/zinc/90/25/45/1070902545.db2.gz BSBPRGSQYGVZDN-SFHVURJKSA-N 1 2 495.603 3.548 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001313673420 1070907227 /nfs/dbraw/zinc/90/72/27/1070907227.db2.gz MQXZSFJYSMYQKJ-QUCCMNQESA-N 1 2 495.603 3.548 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC001313674663 1070912487 /nfs/dbraw/zinc/91/24/87/1070912487.db2.gz VGEYDFRZMBWXLJ-KNQAVFIVSA-N 1 2 497.669 3.519 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H]2C)c[nH+]1 ZINC001313674943 1070913603 /nfs/dbraw/zinc/91/36/03/1070913603.db2.gz WRDLTKXAVAAMHK-SFHVURJKSA-N 1 2 468.627 3.627 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676474 1070921030 /nfs/dbraw/zinc/92/10/30/1070921030.db2.gz DSBOPNFUUGGYQH-XZOQPEGZSA-N 1 2 499.681 3.867 20 0 JHADLO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001314722453 1070921278 /nfs/dbraw/zinc/92/12/78/1070921278.db2.gz MNIRCYMIZXTTHR-UHFFFAOYSA-N 1 2 496.497 3.876 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](OC)[C@@H](OC)C2)c[nH+]1 ZINC001313677434 1070925328 /nfs/dbraw/zinc/92/53/28/1070925328.db2.gz PYXHHWJXQZWKEI-OYRHEFFESA-N 1 2 488.995 3.877 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001313679085 1070933900 /nfs/dbraw/zinc/93/39/00/1070933900.db2.gz HIDZZDQNSJFBEO-ZWKOTPCHSA-N 1 2 468.524 3.577 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c[nH+]1 ZINC001313680427 1070938453 /nfs/dbraw/zinc/93/84/53/1070938453.db2.gz YXUHDNJRNYVNAX-YKSBVNFPSA-N 1 2 478.641 3.569 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC(C)(OC)C2)c[nH+]1 ZINC001313679261 1070934785 /nfs/dbraw/zinc/93/47/85/1070934785.db2.gz PSQNLHUTVIHMQM-UHFFFAOYSA-N 1 2 454.550 3.511 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(N(C)C(C)=O)CC2)c[nH+]1 ZINC001313679530 1070935607 /nfs/dbraw/zinc/93/56/07/1070935607.db2.gz NTUVTIRLIXVQTG-UHFFFAOYSA-N 1 2 481.670 3.667 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](COC)O[C@@H](C)C2)c[nH+]1 ZINC001313679761 1070936361 /nfs/dbraw/zinc/93/63/61/1070936361.db2.gz SSPCSYSTARNXNB-SIKLNZKXSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(=O)NC(C)(C)C)c[nH+]1 ZINC001313680481 1070937467 /nfs/dbraw/zinc/93/74/67/1070937467.db2.gz SPBXJYNSDBDKLP-UHFFFAOYSA-N 1 2 499.610 3.788 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313683291 1070943568 /nfs/dbraw/zinc/94/35/68/1070943568.db2.gz BIWNSVOWDGUFBK-JPYJTQIMSA-N 1 2 463.623 3.611 20 0 JHADLO CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c[nH+]ccc1OC ZINC001313742761 1071069545 /nfs/dbraw/zinc/06/95/45/1071069545.db2.gz UTCPLFWDWUQEJE-RUZDIDTESA-N 1 2 451.571 3.797 20 0 JHADLO CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c[nH+]ccc1OC ZINC001313742762 1071069642 /nfs/dbraw/zinc/06/96/42/1071069642.db2.gz UTCPLFWDWUQEJE-VWLOTQADSA-N 1 2 451.571 3.797 20 0 JHADLO CN(CC1CCCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314794368 1071072375 /nfs/dbraw/zinc/07/23/75/1071072375.db2.gz KYDBGSAOSDGIQI-NRFANRHFSA-N 1 2 471.627 3.871 20 0 JHADLO CN(C[C@H]1CCCOC1)c1nnc(Cc2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314809451 1071100017 /nfs/dbraw/zinc/10/00/17/1071100017.db2.gz XLVRVUJUSABSBE-DENIHFKCSA-N 1 2 470.568 3.708 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001313774960 1071130333 /nfs/dbraw/zinc/13/03/33/1071130333.db2.gz XLRORELRGKOPSW-GHTZIAJQSA-N 1 2 456.541 3.927 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C)n1Cc1ccc(OC)c(OC)c1OC ZINC001313778570 1071140296 /nfs/dbraw/zinc/14/02/96/1071140296.db2.gz KIDFDXNKMVTKRX-UHFFFAOYSA-N 1 2 480.613 3.799 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCC(=O)N2)n1CCC=C(C)C ZINC001313778151 1071138728 /nfs/dbraw/zinc/13/87/28/1071138728.db2.gz DTQYRBLNMRZTPJ-OAQYLSRUSA-N 1 2 451.619 3.723 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC2CCCC2)n1CCC(=O)N(C)C ZINC001313779216 1071141053 /nfs/dbraw/zinc/14/10/53/1071141053.db2.gz MUMOWGYWPWNKIE-UHFFFAOYSA-N 1 2 467.662 3.627 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1C[C@H]1CCOC[C@@H]1OC ZINC001313779225 1071141816 /nfs/dbraw/zinc/14/18/16/1071141816.db2.gz MVKLKXLLJHTVPK-YADHBBJMSA-N 1 2 456.635 3.591 20 0 JHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001310139478 1071147860 /nfs/dbraw/zinc/14/78/60/1071147860.db2.gz KDDABIJZQDOSEC-MHYXUVESSA-N 1 2 464.582 3.765 20 0 JHADLO CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1)CC(F)(F)F ZINC001313788083 1071172314 /nfs/dbraw/zinc/17/23/14/1071172314.db2.gz HTEKPILJFYAXJG-IBGZPJMESA-N 1 2 490.578 3.725 20 0 JHADLO CCN(CCc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1c[nH+]ccc1OC ZINC001313794869 1071192983 /nfs/dbraw/zinc/19/29/83/1071192983.db2.gz ZEICIOLZEDHNCY-UHFFFAOYSA-N 1 2 451.600 3.722 20 0 JHADLO CCN(CCC1CC1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001313795252 1071193939 /nfs/dbraw/zinc/19/39/39/1071193939.db2.gz SGRJKKXDYXJSPD-UHFFFAOYSA-N 1 2 468.646 3.884 20 0 JHADLO CCN(CCC1CC1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001313795252 1071193944 /nfs/dbraw/zinc/19/39/44/1071193944.db2.gz SGRJKKXDYXJSPD-UHFFFAOYSA-N 1 2 468.646 3.884 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC001310189013 1071194608 /nfs/dbraw/zinc/19/46/08/1071194608.db2.gz XBIHKWJJKLNNIV-SFTDATJTSA-N 1 2 451.926 3.698 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC001310189013 1071194613 /nfs/dbraw/zinc/19/46/13/1071194613.db2.gz XBIHKWJJKLNNIV-SFTDATJTSA-N 1 2 451.926 3.698 20 0 JHADLO CC(C)CCc1ccccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001310210226 1071207794 /nfs/dbraw/zinc/20/77/94/1071207794.db2.gz YJVXKXWTPKFCNY-NRFANRHFSA-N 1 2 452.603 3.692 20 0 JHADLO CC(C)CCc1ccccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001310210226 1071207809 /nfs/dbraw/zinc/20/78/09/1071207809.db2.gz YJVXKXWTPKFCNY-NRFANRHFSA-N 1 2 452.603 3.692 20 0 JHADLO CCN(CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(=O)OC(C)(C)C ZINC001313817999 1071267511 /nfs/dbraw/zinc/26/75/11/1071267511.db2.gz PUALMFHPTUNIJG-UHFFFAOYSA-N 1 2 489.665 3.742 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCCCC1 ZINC001314869571 1071279342 /nfs/dbraw/zinc/27/93/42/1071279342.db2.gz CCBJRYFWFCQARX-UHFFFAOYSA-N 1 2 463.026 3.501 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCNc1ncc(Cl)cc1Cl ZINC001314871477 1071284253 /nfs/dbraw/zinc/28/42/53/1071284253.db2.gz OQRUQJPGYQOQBW-UHFFFAOYSA-N 1 2 476.412 3.527 20 0 JHADLO COC(=O)c1n[nH]c2ccc(NC(=O)N(CCn3cc[nH+]c3)Cc3cccc(Cl)c3)cc21 ZINC001310318788 1071301291 /nfs/dbraw/zinc/30/12/91/1071301291.db2.gz NHJHUDMADBHOAQ-UHFFFAOYSA-N 1 2 452.902 3.934 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1 ZINC001310333660 1071315510 /nfs/dbraw/zinc/31/55/10/1071315510.db2.gz ADWWTOCDZZOEBL-UHFFFAOYSA-N 1 2 455.930 3.807 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC001310349584 1071329907 /nfs/dbraw/zinc/32/99/07/1071329907.db2.gz VVBPFMAMTWLMOV-GOSISDBHSA-N 1 2 456.509 3.950 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)CC2)c1 ZINC001310358821 1071337145 /nfs/dbraw/zinc/33/71/45/1071337145.db2.gz PXAAYSHLBMLXMO-QGZVFWFLSA-N 1 2 454.527 3.571 20 0 JHADLO Cn1cc(-c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CCCC(F)(F)F)cn1 ZINC001314903947 1071342031 /nfs/dbraw/zinc/34/20/31/1071342031.db2.gz FWMGJQABESEXPE-UHFFFAOYSA-N 1 2 467.927 3.997 20 0 JHADLO CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC001310368398 1071345003 /nfs/dbraw/zinc/34/50/03/1071345003.db2.gz TVBXQHDEPKEYQI-UHFFFAOYSA-N 1 2 456.506 3.800 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927538 1071580677 /nfs/dbraw/zinc/58/06/77/1071580677.db2.gz LXGQFRWGASLNES-JOCHJYFZSA-N 1 2 454.663 3.915 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929085 1071586049 /nfs/dbraw/zinc/58/60/49/1071586049.db2.gz XLLVMFWZFTUHND-HSZRJFAPSA-N 1 2 477.657 3.531 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCCNc2cccc[nH+]2)CC1 ZINC001314017290 1071763213 /nfs/dbraw/zinc/76/32/13/1071763213.db2.gz XATGSUUQRRZVGR-UHFFFAOYSA-N 1 2 495.603 3.962 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314041044 1071842489 /nfs/dbraw/zinc/84/24/89/1071842489.db2.gz ZKAUITDPWAYIRF-OXQOHEQNSA-N 1 2 487.555 3.569 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001314117031 1072016797 /nfs/dbraw/zinc/01/67/97/1072016797.db2.gz NKFIKXMHQNYYFB-VWLOTQADSA-N 1 2 472.634 3.611 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC001305925819 1068221475 /nfs/dbraw/zinc/22/14/75/1068221475.db2.gz MWSPAZWSEDCMKE-URXFXBBRSA-N 1 2 455.647 3.871 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@@H](OC)[C@@H](C)CC)cc1 ZINC001305944721 1068257598 /nfs/dbraw/zinc/25/75/98/1068257598.db2.gz NKFJUMBCGWALRI-WMZHIEFXSA-N 1 2 463.630 3.994 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001305945556 1068259717 /nfs/dbraw/zinc/25/97/17/1068259717.db2.gz VYAGVGIFKOXZBA-UHFFFAOYSA-N 1 2 492.590 3.840 20 0 JHADLO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC001305960165 1068290976 /nfs/dbraw/zinc/29/09/76/1068290976.db2.gz LHERXNORWCPCBQ-UHFFFAOYSA-N 1 2 470.618 3.550 20 0 JHADLO CCc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001305969546 1068304722 /nfs/dbraw/zinc/30/47/22/1068304722.db2.gz DCTBUCSLEYRYNO-UHFFFAOYSA-N 1 2 496.059 3.595 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305977487 1068317583 /nfs/dbraw/zinc/31/75/83/1068317583.db2.gz DVTUOKWPSNUJBQ-FCHUYYIVSA-N 1 2 453.631 3.933 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H]2CC)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305984406 1068331863 /nfs/dbraw/zinc/33/18/63/1068331863.db2.gz FRXNJWSLRLOGQU-QFIPXVFZSA-N 1 2 454.663 3.824 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H]2CC)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305984406 1068331884 /nfs/dbraw/zinc/33/18/84/1068331884.db2.gz FRXNJWSLRLOGQU-QFIPXVFZSA-N 1 2 454.663 3.824 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1c[nH+]ccc1OC ZINC001305986364 1068337794 /nfs/dbraw/zinc/33/77/94/1068337794.db2.gz DQPZDFNKSBAHQX-SFHVURJKSA-N 1 2 451.571 3.875 20 0 JHADLO CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306133310 1068536143 /nfs/dbraw/zinc/53/61/43/1068536143.db2.gz FDUCYQGHBMEFDM-GGAORHGYSA-N 1 2 498.672 3.607 20 0 JHADLO CCc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001306144855 1068547455 /nfs/dbraw/zinc/54/74/55/1068547455.db2.gz YCTUHZODSDILTR-UHFFFAOYSA-N 1 2 466.565 3.667 20 0 JHADLO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CCCNc1cccc[nH+]1 ZINC001306144962 1068548107 /nfs/dbraw/zinc/54/81/07/1068548107.db2.gz UVIHTYDZERSTKO-RTBURBONSA-N 1 2 457.623 3.867 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001306334382 1068771620 /nfs/dbraw/zinc/77/16/20/1068771620.db2.gz BVHYCLZJRYGVDP-BDTNDASRSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001306334382 1068771627 /nfs/dbraw/zinc/77/16/27/1068771627.db2.gz BVHYCLZJRYGVDP-BDTNDASRSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306383923 1068816803 /nfs/dbraw/zinc/81/68/03/1068816803.db2.gz SACVADVIOXSYAL-DHIUTWEWSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001306457229 1068984926 /nfs/dbraw/zinc/98/49/26/1068984926.db2.gz MGWIBISWOIXPTK-RBUKOAKNSA-N 1 2 477.700 3.632 20 0 JHADLO Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001310570774 1069024770 /nfs/dbraw/zinc/02/47/70/1069024770.db2.gz ZWDNPKJHQXFBRQ-GOSISDBHSA-N 1 2 457.941 3.858 20 0 JHADLO Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001310570774 1069024783 /nfs/dbraw/zinc/02/47/83/1069024783.db2.gz ZWDNPKJHQXFBRQ-GOSISDBHSA-N 1 2 457.941 3.858 20 0 JHADLO CC/C=C/Cn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306491642 1069030660 /nfs/dbraw/zinc/03/06/60/1069030660.db2.gz OWBVYZMRGBOBTN-JOXKVKLASA-N 1 2 457.594 3.746 20 0 JHADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001310604144 1069047061 /nfs/dbraw/zinc/04/70/61/1069047061.db2.gz QHBGRDNOYZEHGC-FPOVZHCZSA-N 1 2 459.974 3.778 20 0 JHADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001310604144 1069047070 /nfs/dbraw/zinc/04/70/70/1069047070.db2.gz QHBGRDNOYZEHGC-FPOVZHCZSA-N 1 2 459.974 3.778 20 0 JHADLO COc1ccc(Cn2nccc2NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1 ZINC001310609492 1069051535 /nfs/dbraw/zinc/05/15/35/1069051535.db2.gz KDADMGBEOSOCHP-KRWDZBQOSA-N 1 2 455.584 3.921 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001310646390 1069080566 /nfs/dbraw/zinc/08/05/66/1069080566.db2.gz ZICZPFCQRICBEL-FQEVSTJZSA-N 1 2 457.416 3.876 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001310646390 1069080572 /nfs/dbraw/zinc/08/05/72/1069080572.db2.gz ZICZPFCQRICBEL-FQEVSTJZSA-N 1 2 457.416 3.876 20 0 JHADLO CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310683451 1069108356 /nfs/dbraw/zinc/10/83/56/1069108356.db2.gz ZSFPPQFIJQIXNR-HXUWFJFHSA-N 1 2 457.575 3.578 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306517304 1069126656 /nfs/dbraw/zinc/12/66/56/1069126656.db2.gz MRXQQDAYJQLQMF-LJQANCHMSA-N 1 2 478.597 3.538 20 0 JHADLO CCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001306543379 1069195004 /nfs/dbraw/zinc/19/50/04/1069195004.db2.gz YJJMGKCRXRCPTO-VWLOTQADSA-N 1 2 469.033 3.791 20 0 JHADLO CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306546884 1069204526 /nfs/dbraw/zinc/20/45/26/1069204526.db2.gz SAIRNOQQESMNIG-ZJSXRUAMSA-N 1 2 478.037 3.535 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCOCC2)CC1 ZINC001306559877 1069230113 /nfs/dbraw/zinc/23/01/13/1069230113.db2.gz ZJWDBNOPBIRRRK-INIZCTEOSA-N 1 2 465.440 3.773 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCOCC2)CC1 ZINC001306559878 1069230136 /nfs/dbraw/zinc/23/01/36/1069230136.db2.gz ZJWDBNOPBIRRRK-MRXNPFEDSA-N 1 2 465.440 3.773 20 0 JHADLO O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC001310990402 1069242254 /nfs/dbraw/zinc/24/22/54/1069242254.db2.gz HLHGHRAHMOYCHT-NSHDSACASA-N 1 2 452.355 3.902 20 0 JHADLO COc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991891 1069242711 /nfs/dbraw/zinc/24/27/11/1069242711.db2.gz PUDNSTPIQIGIJX-RDJZCZTQSA-N 1 2 458.868 3.956 20 0 JHADLO COc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991891 1069242724 /nfs/dbraw/zinc/24/27/24/1069242724.db2.gz PUDNSTPIQIGIJX-RDJZCZTQSA-N 1 2 458.868 3.956 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306578007 1069243442 /nfs/dbraw/zinc/24/34/42/1069243442.db2.gz CTFXHIIQYMPOMZ-MSOLQXFVSA-N 1 2 480.451 3.965 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306578007 1069243451 /nfs/dbraw/zinc/24/34/51/1069243451.db2.gz CTFXHIIQYMPOMZ-MSOLQXFVSA-N 1 2 480.451 3.965 20 0 JHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 ZINC001310995388 1069244227 /nfs/dbraw/zinc/24/42/27/1069244227.db2.gz NXEMVIBXTGJHPG-AZUAARDMSA-N 1 2 455.559 3.750 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306580356 1069244962 /nfs/dbraw/zinc/24/49/62/1069244962.db2.gz KPVJYJNEZJSCKE-ZJSXRUAMSA-N 1 2 465.646 3.838 20 0 JHADLO CCC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306589344 1069257875 /nfs/dbraw/zinc/25/78/75/1069257875.db2.gz DYRPUKLEBRSXCM-QFIPXVFZSA-N 1 2 478.645 3.627 20 0 JHADLO COc1cccc(OC(F)(F)F)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001311119786 1069278397 /nfs/dbraw/zinc/27/83/97/1069278397.db2.gz XPVPQMZBQZEORV-QGZVFWFLSA-N 1 2 453.461 3.925 20 0 JHADLO COc1cccc(OC(F)(F)F)c1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001311119786 1069278410 /nfs/dbraw/zinc/27/84/10/1069278410.db2.gz XPVPQMZBQZEORV-QGZVFWFLSA-N 1 2 453.461 3.925 20 0 JHADLO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@@H+]4CCCN(S(C)(=O)=O)CC4)cc3)sc2c1 ZINC000012747545 195103372 /nfs/dbraw/zinc/10/33/72/195103372.db2.gz VHUMAQSYNCPGFT-QGZVFWFLSA-N 1 2 472.636 3.566 20 0 JHADLO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@H+]4CCCN(S(C)(=O)=O)CC4)cc3)sc2c1 ZINC000012747545 195103374 /nfs/dbraw/zinc/10/33/74/195103374.db2.gz VHUMAQSYNCPGFT-QGZVFWFLSA-N 1 2 472.636 3.566 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164663823 719346361 /nfs/dbraw/zinc/34/63/61/719346361.db2.gz MWKPZNXZNOFLAN-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164663823 719346362 /nfs/dbraw/zinc/34/63/62/719346362.db2.gz MWKPZNXZNOFLAN-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164664078 719348878 /nfs/dbraw/zinc/34/88/78/719348878.db2.gz QGZJKDDJMPXJMH-UHFFFAOYSA-N 1 2 495.027 3.930 20 0 JHADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164664078 719348881 /nfs/dbraw/zinc/34/88/81/719348881.db2.gz QGZJKDDJMPXJMH-UHFFFAOYSA-N 1 2 495.027 3.930 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ccsc4c(N4CCOCC4)n2)CC3)cc1 ZINC001164673025 719498128 /nfs/dbraw/zinc/49/81/28/719498128.db2.gz MLFFELQMIQANQY-UHFFFAOYSA-N 1 2 483.613 3.538 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ccsc4c(N4CCOCC4)n2)CC3)cc1 ZINC001164673025 719498140 /nfs/dbraw/zinc/49/81/40/719498140.db2.gz MLFFELQMIQANQY-UHFFFAOYSA-N 1 2 483.613 3.538 20 0 JHADLO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671703 719512509 /nfs/dbraw/zinc/51/25/09/719512509.db2.gz HXLKJXJFNBVPMN-UHFFFAOYSA-N 1 2 462.573 3.615 20 0 JHADLO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671703 719512523 /nfs/dbraw/zinc/51/25/23/719512523.db2.gz HXLKJXJFNBVPMN-UHFFFAOYSA-N 1 2 462.573 3.615 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164704024 719863129 /nfs/dbraw/zinc/86/31/29/719863129.db2.gz QOVIAUBZCFZPRK-QVKFZJNVSA-N 1 2 453.917 3.666 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164697072 719878160 /nfs/dbraw/zinc/87/81/60/719878160.db2.gz BNSIEJYZFWCZJU-MHECFPHRSA-N 1 2 474.989 3.717 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164700329 719880578 /nfs/dbraw/zinc/88/05/78/719880578.db2.gz JWMFRMNTCIWGPB-ZHRRBRCNSA-N 1 2 471.976 3.782 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164723902 720316189 /nfs/dbraw/zinc/31/61/89/720316189.db2.gz PTMHPDHCVARJJP-KRWDZBQOSA-N 1 2 475.931 3.754 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5cccc(C)c54)CC3)C2=O)cs1 ZINC001164823229 720368079 /nfs/dbraw/zinc/36/80/79/720368079.db2.gz COKZBYCUNIOBOW-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5cccc(C)c54)CC3)C2=O)cs1 ZINC001164823229 720368086 /nfs/dbraw/zinc/36/80/86/720368086.db2.gz COKZBYCUNIOBOW-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(C)c(Cl)cnc4Cl)CC3)C2=O)cs1 ZINC001164820375 720377579 /nfs/dbraw/zinc/37/75/79/720377579.db2.gz PGASABCRSKWJOI-UHFFFAOYSA-N 1 2 454.427 3.775 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(C)c(Cl)cnc4Cl)CC3)C2=O)cs1 ZINC001164820375 720377588 /nfs/dbraw/zinc/37/75/88/720377588.db2.gz PGASABCRSKWJOI-UHFFFAOYSA-N 1 2 454.427 3.775 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3c(Cl)nccc3c1)C2 ZINC001164828892 720476189 /nfs/dbraw/zinc/47/61/89/720476189.db2.gz BXPAMCFOISOSDD-SFHVURJKSA-N 1 2 491.970 3.619 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164859432 720895269 /nfs/dbraw/zinc/89/52/69/720895269.db2.gz QQPUKPMGMDWGOV-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164859412 720895579 /nfs/dbraw/zinc/89/55/79/720895579.db2.gz QBFCTYDSACRHNR-UHFFFAOYSA-N 1 2 492.317 3.693 20 0 JHADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755575 720977195 /nfs/dbraw/zinc/97/71/95/720977195.db2.gz AUXZCNDZYJGPKA-INIZCTEOSA-N 1 2 481.931 3.501 20 0 JHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757060 720982360 /nfs/dbraw/zinc/98/23/60/720982360.db2.gz MGEGWOCDUYNGBG-OAHLLOKOSA-N 1 2 455.893 3.631 20 0 JHADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165012038 721721025 /nfs/dbraw/zinc/72/10/25/721721025.db2.gz ZGWOFDJESWUMKN-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165012038 721721029 /nfs/dbraw/zinc/72/10/29/721721029.db2.gz ZGWOFDJESWUMKN-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164911795 721759770 /nfs/dbraw/zinc/75/97/70/721759770.db2.gz ZJKHZCPOEJFJEW-UHFFFAOYSA-N 1 2 466.929 3.581 20 0 JHADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164911795 721759772 /nfs/dbraw/zinc/75/97/72/721759772.db2.gz ZJKHZCPOEJFJEW-UHFFFAOYSA-N 1 2 466.929 3.581 20 0 JHADLO CC1(C)CCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCS1 ZINC001311378438 1069352545 /nfs/dbraw/zinc/35/25/45/1069352545.db2.gz LQGRRQIYQAEDSF-UHFFFAOYSA-N 1 2 457.619 3.974 20 0 JHADLO CCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306666941 1069395235 /nfs/dbraw/zinc/39/52/35/1069395235.db2.gz INDKXDGWELJDTB-UHFFFAOYSA-N 1 2 474.407 3.552 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC001311472451 1069395288 /nfs/dbraw/zinc/39/52/88/1069395288.db2.gz DJSGUPIMSZTLDI-IBGZPJMESA-N 1 2 450.583 3.850 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC001311472451 1069395300 /nfs/dbraw/zinc/39/53/00/1069395300.db2.gz DJSGUPIMSZTLDI-IBGZPJMESA-N 1 2 450.583 3.850 20 0 JHADLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001311491483 1069402965 /nfs/dbraw/zinc/40/29/65/1069402965.db2.gz YPYPOOLFDXKJDZ-MJGOQNOKSA-N 1 2 451.011 3.608 20 0 JHADLO COc1cc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1OCC(F)(F)F ZINC001311500277 1069409090 /nfs/dbraw/zinc/40/90/90/1069409090.db2.gz IWWVAKHUAQJPGE-INIZCTEOSA-N 1 2 452.477 3.620 20 0 JHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001311594962 1069456315 /nfs/dbraw/zinc/45/63/15/1069456315.db2.gz SMUXSZGFNAOTBB-RPBOFIJWSA-N 1 2 454.590 3.678 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306728832 1069476593 /nfs/dbraw/zinc/47/65/93/1069476593.db2.gz FHTXUVFIPNMUNW-IRLDBZIGSA-N 1 2 467.662 3.795 20 0 JHADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306736574 1069503742 /nfs/dbraw/zinc/50/37/42/1069503742.db2.gz LXKPWWALSPOCOQ-JOCHJYFZSA-N 1 2 491.640 3.596 20 0 JHADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC(OCC2CCCCC2)CC1 ZINC001311713375 1069515025 /nfs/dbraw/zinc/51/50/25/1069515025.db2.gz FCKYLGGPVLAMKS-UHFFFAOYSA-N 1 2 459.631 3.669 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759841 1069535324 /nfs/dbraw/zinc/53/53/24/1069535324.db2.gz LDAXAVCPKLEHPM-RCZVLFRGSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759841 1069535330 /nfs/dbraw/zinc/53/53/30/1069535330.db2.gz LDAXAVCPKLEHPM-RCZVLFRGSA-N 1 2 458.002 3.539 20 0 JHADLO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001306775778 1069571903 /nfs/dbraw/zinc/57/19/03/1069571903.db2.gz NWGBYXWFKZYMFI-RTBURBONSA-N 1 2 473.622 3.515 20 0 JHADLO CCCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306777718 1069573352 /nfs/dbraw/zinc/57/33/52/1069573352.db2.gz VAJRPXVOMMCQCW-NRFANRHFSA-N 1 2 464.614 3.989 20 0 JHADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC(C)(C)CC(C)(C)C1 ZINC001311902199 1069606027 /nfs/dbraw/zinc/60/60/27/1069606027.db2.gz AJUNZVCLZDTXKQ-LJQANCHMSA-N 1 2 458.651 3.528 20 0 JHADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC(C)(C)CC(C)(C)C1 ZINC001311902199 1069606029 /nfs/dbraw/zinc/60/60/29/1069606029.db2.gz AJUNZVCLZDTXKQ-LJQANCHMSA-N 1 2 458.651 3.528 20 0 JHADLO CCOc1c(Cl)cc(Cn2c(CC)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC001314152271 1069616275 /nfs/dbraw/zinc/61/62/75/1069616275.db2.gz FXAGYOVIJLPAMX-UHFFFAOYSA-N 1 2 456.978 3.671 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306811384 1069631260 /nfs/dbraw/zinc/63/12/60/1069631260.db2.gz DEPSBYDBQIPWDP-IBGZPJMESA-N 1 2 470.568 3.679 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306811384 1069631266 /nfs/dbraw/zinc/63/12/66/1069631266.db2.gz DEPSBYDBQIPWDP-IBGZPJMESA-N 1 2 470.568 3.679 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(CCc3ccccn3)Cc3cccnc3)CC2)cc1 ZINC001312096624 1069718976 /nfs/dbraw/zinc/71/89/76/1069718976.db2.gz GASFSMBTQUZONY-UHFFFAOYSA-N 1 2 458.610 3.966 20 0 JHADLO CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001307022565 1069729755 /nfs/dbraw/zinc/72/97/55/1069729755.db2.gz ILBCTXXRIYTHAO-UHFFFAOYSA-N 1 2 469.634 3.826 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314186334 1069739490 /nfs/dbraw/zinc/73/94/90/1069739490.db2.gz PWZGGUGDWWSXQP-LJQANCHMSA-N 1 2 455.628 3.686 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314190618 1069750657 /nfs/dbraw/zinc/75/06/57/1069750657.db2.gz AOETWMAXXBZFRG-UWHLTILDSA-N 1 2 489.686 3.868 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314192495 1069756700 /nfs/dbraw/zinc/75/67/00/1069756700.db2.gz UGKJWLALLFLDNU-NHCUHLMSSA-N 1 2 492.624 3.820 20 0 JHADLO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001312180010 1069768290 /nfs/dbraw/zinc/76/82/90/1069768290.db2.gz SMCCSPXCQGVDGP-HXUWFJFHSA-N 1 2 457.619 3.935 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCS[C@H](CC)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314200174 1069790758 /nfs/dbraw/zinc/79/07/58/1069790758.db2.gz OMZSAJZMUYCQLM-MIZPHKNDSA-N 1 2 489.686 3.869 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC2)c1 ZINC001312260249 1069817718 /nfs/dbraw/zinc/81/77/18/1069817718.db2.gz WAZLFKXPZBWEAQ-OAHLLOKOSA-N 1 2 453.370 3.864 20 0 JHADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312269277 1069825599 /nfs/dbraw/zinc/82/55/99/1069825599.db2.gz GKOKCCDPCFGCMT-CTUHWIOQSA-N 1 2 458.002 3.951 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001312316001 1069858674 /nfs/dbraw/zinc/85/86/74/1069858674.db2.gz MVXBEYFXCIUQOI-OXJNMPFZSA-N 1 2 455.921 3.601 20 0 JHADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)CCS2 ZINC001312349708 1069879274 /nfs/dbraw/zinc/87/92/74/1069879274.db2.gz HGBBSTKPTIRMGM-UGDJJAPTSA-N 1 2 456.612 3.758 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCSc2ncnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC001307285266 1069928066 /nfs/dbraw/zinc/92/80/66/1069928066.db2.gz CRIBMRYBMJZCBS-UHFFFAOYSA-N 1 2 458.563 3.599 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427637 1069931169 /nfs/dbraw/zinc/93/11/69/1069931169.db2.gz XLXYFDLFLVFVFW-ONTIZHBOSA-N 1 2 452.382 3.572 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427637 1069931179 /nfs/dbraw/zinc/93/11/79/1069931179.db2.gz XLXYFDLFLVFVFW-ONTIZHBOSA-N 1 2 452.382 3.572 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@]3(C)CCCc4ccccc43)C2)CC1 ZINC001312435793 1069934805 /nfs/dbraw/zinc/93/48/05/1069934805.db2.gz OHFDJTCERTVUNP-RLWLMLJZSA-N 1 2 456.631 3.617 20 0 JHADLO CCOC1CC(Cn2c(N(C)c3cc(OC)cc(OC)c3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314239952 1069940898 /nfs/dbraw/zinc/94/08/98/1069940898.db2.gz IUFIHERNHRJNEL-UHFFFAOYSA-N 1 2 487.645 3.631 20 0 JHADLO Cc1noc(-c2ccc(CNC(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)cc2)n1 ZINC001312458957 1069951368 /nfs/dbraw/zinc/95/13/68/1069951368.db2.gz WWNIXKSHIHSZCE-UHFFFAOYSA-N 1 2 455.946 3.605 20 0 JHADLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001307426180 1069978470 /nfs/dbraw/zinc/97/84/70/1069978470.db2.gz ZTLYVMSMDDMLSE-APIJFGDWSA-N 1 2 454.411 3.736 20 0 JHADLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001307426180 1069978482 /nfs/dbraw/zinc/97/84/82/1069978482.db2.gz ZTLYVMSMDDMLSE-APIJFGDWSA-N 1 2 454.411 3.736 20 0 JHADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001307446214 1069987888 /nfs/dbraw/zinc/98/78/88/1069987888.db2.gz PDGBWWWHYMCZLQ-AWEZNQCLSA-N 1 2 454.411 3.958 20 0 JHADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001307446214 1069987892 /nfs/dbraw/zinc/98/78/92/1069987892.db2.gz PDGBWWWHYMCZLQ-AWEZNQCLSA-N 1 2 454.411 3.958 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@@H](C)C2)cc1 ZINC001307450505 1069991589 /nfs/dbraw/zinc/99/15/89/1069991589.db2.gz MZRQQOVMHSYHBV-VQTJNVASSA-N 1 2 450.583 3.611 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@@H](C)C2)cc1 ZINC001307450505 1069991602 /nfs/dbraw/zinc/99/16/02/1069991602.db2.gz MZRQQOVMHSYHBV-VQTJNVASSA-N 1 2 450.583 3.611 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(OC)c(C)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307455258 1069995744 /nfs/dbraw/zinc/99/57/44/1069995744.db2.gz IZKNDYATNDGWFC-JOCHJYFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(OC)c(C)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307455258 1069995756 /nfs/dbraw/zinc/99/57/56/1069995756.db2.gz IZKNDYATNDGWFC-JOCHJYFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)Cc2ccc(OC)c(C)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307455258 1069995771 /nfs/dbraw/zinc/99/57/71/1069995771.db2.gz IZKNDYATNDGWFC-JOCHJYFZSA-N 1 2 457.958 3.960 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)Cc2ccc(OC)c(C)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307455258 1069995785 /nfs/dbraw/zinc/99/57/85/1069995785.db2.gz IZKNDYATNDGWFC-JOCHJYFZSA-N 1 2 457.958 3.960 20 0 JHADLO C[N@@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C[C@H](O)COCc1ccccc1 ZINC001307473377 1070005200 /nfs/dbraw/zinc/00/52/00/1070005200.db2.gz RMZKZTLGWUJQBZ-SFHVURJKSA-N 1 2 450.564 3.739 20 0 JHADLO C[N@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C[C@H](O)COCc1ccccc1 ZINC001307473377 1070005209 /nfs/dbraw/zinc/00/52/09/1070005209.db2.gz RMZKZTLGWUJQBZ-SFHVURJKSA-N 1 2 450.564 3.739 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCN(Cc3ccc(Cl)nc3)CC2)[C@@H](O)c2ccccc21 ZINC001307474965 1070006435 /nfs/dbraw/zinc/00/64/35/1070006435.db2.gz KDGAPZVXEFAWFC-UNMCSNQZSA-N 1 2 458.990 3.710 20 0 JHADLO Cc1ccc(N(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478440 1070006982 /nfs/dbraw/zinc/00/69/82/1070006982.db2.gz JNZCXHKKJKPNDW-QPPBQGQZSA-N 1 2 456.583 3.651 20 0 JHADLO Cc1ccc(N(C(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478440 1070006996 /nfs/dbraw/zinc/00/69/96/1070006996.db2.gz JNZCXHKKJKPNDW-QPPBQGQZSA-N 1 2 456.583 3.651 20 0 JHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505279 1070022667 /nfs/dbraw/zinc/02/26/67/1070022667.db2.gz YNYDFSDIJRILFH-LIRRHRJNSA-N 1 2 453.967 3.751 20 0 JHADLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505279 1070022686 /nfs/dbraw/zinc/02/26/86/1070022686.db2.gz YNYDFSDIJRILFH-LIRRHRJNSA-N 1 2 453.967 3.751 20 0 JHADLO CCOC(=O)c1sc2nc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc(N)c2c1C ZINC001307509559 1070025741 /nfs/dbraw/zinc/02/57/41/1070025741.db2.gz BPFYUWNQTQXHFN-GOSISDBHSA-N 1 2 454.596 3.982 20 0 JHADLO CCOC(=O)c1sc2nc(C[N@H+]3CC[C@@H](OCCCc4ccccc4)C3)nc(N)c2c1C ZINC001307509559 1070025747 /nfs/dbraw/zinc/02/57/47/1070025747.db2.gz BPFYUWNQTQXHFN-GOSISDBHSA-N 1 2 454.596 3.982 20 0 JHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521064 1070031867 /nfs/dbraw/zinc/03/18/67/1070031867.db2.gz GSBNLADKYLQZPX-UPTQXZAWSA-N 1 2 456.608 3.774 20 0 JHADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521064 1070031884 /nfs/dbraw/zinc/03/18/84/1070031884.db2.gz GSBNLADKYLQZPX-UPTQXZAWSA-N 1 2 456.608 3.774 20 0 JHADLO CC1(C)C(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)C1(C)C ZINC001312586984 1070031277 /nfs/dbraw/zinc/03/12/77/1070031277.db2.gz VEKXPDSRNZJOAH-INIZCTEOSA-N 1 2 455.384 3.989 20 0 JHADLO CC1(C)C(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)C1(C)C ZINC001312586984 1070031290 /nfs/dbraw/zinc/03/12/90/1070031290.db2.gz VEKXPDSRNZJOAH-INIZCTEOSA-N 1 2 455.384 3.989 20 0 JHADLO Cn1ncc(Br)c1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001307555337 1070049476 /nfs/dbraw/zinc/04/94/76/1070049476.db2.gz RERGPGMRIKZLET-UHFFFAOYSA-N 1 2 456.182 3.796 20 0 JHADLO COc1cc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581105 1070062943 /nfs/dbraw/zinc/06/29/43/1070062943.db2.gz KFJKCBVPDMXFSU-RHSMWYFYSA-N 1 2 454.976 3.572 20 0 JHADLO COc1cc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581105 1070062961 /nfs/dbraw/zinc/06/29/61/1070062961.db2.gz KFJKCBVPDMXFSU-RHSMWYFYSA-N 1 2 454.976 3.572 20 0 JHADLO CCOCc1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001314299216 1070083083 /nfs/dbraw/zinc/08/30/83/1070083083.db2.gz KLGHNGGTJIBPHG-JYACYGOOSA-N 1 2 471.671 3.562 20 0 JHADLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001307640549 1070096262 /nfs/dbraw/zinc/09/62/62/1070096262.db2.gz QSCKTROMZBIFNG-CYBMUJFWSA-N 1 2 450.358 3.863 20 0 JHADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001307652727 1070103497 /nfs/dbraw/zinc/10/34/97/1070103497.db2.gz RNFLACZQKRKAMN-UHFFFAOYSA-N 1 2 457.578 3.835 20 0 JHADLO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001314323991 1070109565 /nfs/dbraw/zinc/10/95/65/1070109565.db2.gz AJIIBSWAOXZZKZ-JOCHJYFZSA-N 1 2 482.673 3.533 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001312782574 1070119074 /nfs/dbraw/zinc/11/90/74/1070119074.db2.gz PUXKAMCTTKOIAU-PMOLBWCYSA-N 1 2 459.978 3.614 20 0 JHADLO C[N@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@]1(CO)CCOC1 ZINC001307678112 1070120483 /nfs/dbraw/zinc/12/04/83/1070120483.db2.gz FIJPYIVBAANCPX-DEOSSOPVSA-N 1 2 455.555 3.566 20 0 JHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@]1(CO)CCOC1 ZINC001307678112 1070120484 /nfs/dbraw/zinc/12/04/84/1070120484.db2.gz FIJPYIVBAANCPX-DEOSSOPVSA-N 1 2 455.555 3.566 20 0 JHADLO CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001307726214 1070151342 /nfs/dbraw/zinc/15/13/42/1070151342.db2.gz WJSIWTPOYAEDPJ-QFIPXVFZSA-N 1 2 451.611 3.899 20 0 JHADLO CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001307726214 1070151353 /nfs/dbraw/zinc/15/13/53/1070151353.db2.gz WJSIWTPOYAEDPJ-QFIPXVFZSA-N 1 2 451.611 3.899 20 0 JHADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(O)(C(N)=O)CC3)n2)cc1 ZINC001307760561 1070172036 /nfs/dbraw/zinc/17/20/36/1070172036.db2.gz BTMURQFXRMHZCN-KRWDZBQOSA-N 1 2 458.628 3.572 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001307754481 1070167561 /nfs/dbraw/zinc/16/75/61/1070167561.db2.gz XBUJYEOPSIDVHG-PXNSSMCTSA-N 1 2 451.995 3.688 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001307754481 1070167564 /nfs/dbraw/zinc/16/75/64/1070167564.db2.gz XBUJYEOPSIDVHG-PXNSSMCTSA-N 1 2 451.995 3.688 20 0 JHADLO CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc21 ZINC001307785541 1070181328 /nfs/dbraw/zinc/18/13/28/1070181328.db2.gz MVZZUZQXUYYMCY-SFHVURJKSA-N 1 2 454.571 3.570 20 0 JHADLO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc21 ZINC001307785541 1070181333 /nfs/dbraw/zinc/18/13/33/1070181333.db2.gz MVZZUZQXUYYMCY-SFHVURJKSA-N 1 2 454.571 3.570 20 0 JHADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2cc(Cl)ccc2I)C1 ZINC001312990170 1070213236 /nfs/dbraw/zinc/21/32/36/1070213236.db2.gz MZHAOPOUPKPKJW-LBPRGKRZSA-N 1 2 458.731 3.767 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C)CCC2 ZINC001307864916 1070216336 /nfs/dbraw/zinc/21/63/36/1070216336.db2.gz GMWWHDZDTMLVMW-OAHLLOKOSA-N 1 2 450.601 3.938 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C)CCC2 ZINC001307864916 1070216349 /nfs/dbraw/zinc/21/63/49/1070216349.db2.gz GMWWHDZDTMLVMW-OAHLLOKOSA-N 1 2 450.601 3.938 20 0 JHADLO Cn1cc([C@@H]2C[N@H+](Cc3c(F)cccc3Br)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307866157 1070217165 /nfs/dbraw/zinc/21/71/65/1070217165.db2.gz WZKPZWMWNOKFFM-KBXCAEBGSA-N 1 2 453.356 3.814 20 0 JHADLO Cn1cc([C@@H]2C[N@@H+](Cc3c(F)cccc3Br)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307866157 1070217178 /nfs/dbraw/zinc/21/71/78/1070217178.db2.gz WZKPZWMWNOKFFM-KBXCAEBGSA-N 1 2 453.356 3.814 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001307866615 1070217302 /nfs/dbraw/zinc/21/73/02/1070217302.db2.gz ZYYACBYQKQZAED-MRXNPFEDSA-N 1 2 451.637 3.787 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001307866615 1070217314 /nfs/dbraw/zinc/21/73/14/1070217314.db2.gz ZYYACBYQKQZAED-MRXNPFEDSA-N 1 2 451.637 3.787 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)Nc1ccc(Br)cc1 ZINC001307883368 1070222961 /nfs/dbraw/zinc/22/29/61/1070222961.db2.gz VKIAZBDNEJYDAV-OAHLLOKOSA-N 1 2 455.150 3.698 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)Nc1ccc(Br)cc1 ZINC001307883368 1070222971 /nfs/dbraw/zinc/22/29/71/1070222971.db2.gz VKIAZBDNEJYDAV-OAHLLOKOSA-N 1 2 455.150 3.698 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCCC[C@H]3CC(=O)OC(C)(C)C)n2)CC1 ZINC001307899903 1070231825 /nfs/dbraw/zinc/23/18/25/1070231825.db2.gz OCCGMQXTFWXQSY-IBGZPJMESA-N 1 2 450.649 3.900 20 0 JHADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001314387171 1070234665 /nfs/dbraw/zinc/23/46/65/1070234665.db2.gz YWSDMOORNFTPOL-HXUWFJFHSA-N 1 2 499.660 3.694 20 0 JHADLO Cc1cc(NC(=O)C[N@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C)cc2)n1 ZINC001307913064 1070236818 /nfs/dbraw/zinc/23/68/18/1070236818.db2.gz OGTNDYRLPOTGOM-UHFFFAOYSA-N 1 2 453.587 3.901 20 0 JHADLO Cc1cc(NC(=O)C[N@@H+](C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C)cc2)n1 ZINC001307913064 1070236828 /nfs/dbraw/zinc/23/68/28/1070236828.db2.gz OGTNDYRLPOTGOM-UHFFFAOYSA-N 1 2 453.587 3.901 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001313068003 1070239736 /nfs/dbraw/zinc/23/97/36/1070239736.db2.gz UFXSLQJYAAHCHY-FHAGJXEFSA-N 1 2 453.587 3.935 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001314391702 1070246462 /nfs/dbraw/zinc/24/64/62/1070246462.db2.gz FYSOQOOVIHSDIL-UHFFFAOYSA-N 1 2 479.629 3.603 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001314392569 1070249167 /nfs/dbraw/zinc/24/91/67/1070249167.db2.gz RQWPCFUSILOUSY-NLFFAJNJSA-N 1 2 471.650 3.711 20 0 JHADLO COC(=O)c1cnc(C2CC[NH+](CC(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC001307940335 1070251664 /nfs/dbraw/zinc/25/16/64/1070251664.db2.gz FDZJIDJIHSAFCW-UHFFFAOYSA-N 1 2 452.374 3.819 20 0 JHADLO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC001308044125 1070290668 /nfs/dbraw/zinc/29/06/68/1070290668.db2.gz NMSROPUUDTZLGE-UPVQGACJSA-N 1 2 456.583 3.867 20 0 JHADLO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC001308044125 1070290687 /nfs/dbraw/zinc/29/06/87/1070290687.db2.gz NMSROPUUDTZLGE-UPVQGACJSA-N 1 2 456.583 3.867 20 0 JHADLO CCCCc1nnc(NC(=O)C[N@@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001308074457 1070302604 /nfs/dbraw/zinc/30/26/04/1070302604.db2.gz CIHFHGZKZUXFGP-JOCHJYFZSA-N 1 2 451.637 3.932 20 0 JHADLO CCCCc1nnc(NC(=O)C[N@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001308074457 1070302621 /nfs/dbraw/zinc/30/26/21/1070302621.db2.gz CIHFHGZKZUXFGP-JOCHJYFZSA-N 1 2 451.637 3.932 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001314428390 1070309112 /nfs/dbraw/zinc/30/91/12/1070309112.db2.gz BNWLIBOTMFOVGL-PMACEKPBSA-N 1 2 475.609 3.531 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001314428390 1070309132 /nfs/dbraw/zinc/30/91/32/1070309132.db2.gz BNWLIBOTMFOVGL-PMACEKPBSA-N 1 2 475.609 3.531 20 0 JHADLO C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001308107862 1070314422 /nfs/dbraw/zinc/31/44/22/1070314422.db2.gz ZWAAYVXTUNKTJO-SFHVURJKSA-N 1 2 454.571 3.840 20 0 JHADLO C[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001308107862 1070314439 /nfs/dbraw/zinc/31/44/39/1070314439.db2.gz ZWAAYVXTUNKTJO-SFHVURJKSA-N 1 2 454.571 3.840 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001308111772 1070317432 /nfs/dbraw/zinc/31/74/32/1070317432.db2.gz WPUXAOGYKLDXNX-WZONZLPQSA-N 1 2 452.617 3.628 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001308111772 1070317454 /nfs/dbraw/zinc/31/74/54/1070317454.db2.gz WPUXAOGYKLDXNX-WZONZLPQSA-N 1 2 452.617 3.628 20 0 JHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292631 1070319320 /nfs/dbraw/zinc/31/93/20/1070319320.db2.gz YRIQROGWPGXZQF-KRWDZBQOSA-N 1 2 457.566 3.759 20 0 JHADLO O=C(NCCc1c(F)cc(O)cc1F)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001313336073 1070330613 /nfs/dbraw/zinc/33/06/13/1070330613.db2.gz RSZCUEITZSEUIX-UHFFFAOYSA-N 1 2 459.415 3.639 20 0 JHADLO COc1ccc(Br)c(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC001308258578 1070346789 /nfs/dbraw/zinc/34/67/89/1070346789.db2.gz LBLDBKHVUKYWFC-UHFFFAOYSA-N 1 2 453.402 3.922 20 0 JHADLO COc1ccc([C@@H]([NH2+]Cc2c3c(nn2C)CCSC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001308290050 1070352416 /nfs/dbraw/zinc/35/24/16/1070352416.db2.gz LAOWKFZEIDVSND-HSZRJFAPSA-N 1 2 457.621 3.501 20 0 JHADLO CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001314458579 1070360389 /nfs/dbraw/zinc/36/03/89/1070360389.db2.gz DTOLGIHNOATMJF-FQEVSTJZSA-N 1 2 461.054 3.630 20 0 JHADLO CN(C)S(=O)(=O)c1cc(NCc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)ccc1F ZINC001308430664 1070374981 /nfs/dbraw/zinc/37/49/81/1070374981.db2.gz QJNIIVJIOQDNQP-UHFFFAOYSA-N 1 2 452.939 3.617 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)cc1 ZINC001308562551 1070390605 /nfs/dbraw/zinc/39/06/05/1070390605.db2.gz FOWPTNKYFVSQLN-INIZCTEOSA-N 1 2 453.402 3.654 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)cc1 ZINC001308562551 1070390622 /nfs/dbraw/zinc/39/06/22/1070390622.db2.gz FOWPTNKYFVSQLN-INIZCTEOSA-N 1 2 453.402 3.654 20 0 JHADLO CC[N@@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1COc2ccccc2O1 ZINC001308571776 1070392611 /nfs/dbraw/zinc/39/26/11/1070392611.db2.gz UGWBFKCYGOLKEN-QUCCMNQESA-N 1 2 457.575 3.512 20 0 JHADLO CC[N@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1COc2ccccc2O1 ZINC001308571776 1070392631 /nfs/dbraw/zinc/39/26/31/1070392631.db2.gz UGWBFKCYGOLKEN-QUCCMNQESA-N 1 2 457.575 3.512 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)C1 ZINC001308588055 1070396351 /nfs/dbraw/zinc/39/63/51/1070396351.db2.gz YNKITOTZUQHCNX-RBBKRZOGSA-N 1 2 453.583 3.901 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)C1 ZINC001308588055 1070396372 /nfs/dbraw/zinc/39/63/72/1070396372.db2.gz YNKITOTZUQHCNX-RBBKRZOGSA-N 1 2 453.583 3.901 20 0 JHADLO COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308631317 1070406614 /nfs/dbraw/zinc/40/66/14/1070406614.db2.gz CJIYJCOMLFTVHG-MSOLQXFVSA-N 1 2 450.576 3.714 20 0 JHADLO COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308631317 1070406621 /nfs/dbraw/zinc/40/66/21/1070406621.db2.gz CJIYJCOMLFTVHG-MSOLQXFVSA-N 1 2 450.576 3.714 20 0 JHADLO CCNC(=O)CN1CC[NH+](Cc2ccccc2Oc2ccc(Br)cc2F)CC1 ZINC001308648555 1070409273 /nfs/dbraw/zinc/40/92/73/1070409273.db2.gz NLOFTLWBCQPZTH-UHFFFAOYSA-N 1 2 450.352 3.634 20 0 JHADLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001308753485 1070430915 /nfs/dbraw/zinc/43/09/15/1070430915.db2.gz SFKMKUNVJWGIIQ-KRWDZBQOSA-N 1 2 457.040 3.856 20 0 JHADLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001308753485 1070430919 /nfs/dbraw/zinc/43/09/19/1070430919.db2.gz SFKMKUNVJWGIIQ-KRWDZBQOSA-N 1 2 457.040 3.856 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842111 1070446828 /nfs/dbraw/zinc/44/68/28/1070446828.db2.gz PXNPYVFAWMQAJP-YLFCFFPRSA-N 1 2 453.605 3.918 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842111 1070446832 /nfs/dbraw/zinc/44/68/32/1070446832.db2.gz PXNPYVFAWMQAJP-YLFCFFPRSA-N 1 2 453.605 3.918 20 0 JHADLO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cn(-c4ccccc4Br)nn3)C2)cc1C ZINC001308924086 1070459520 /nfs/dbraw/zinc/45/95/20/1070459520.db2.gz RNCRPUGFXKFVJP-KRWDZBQOSA-N 1 2 456.344 3.630 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001314510357 1070466464 /nfs/dbraw/zinc/46/64/64/1070466464.db2.gz VEZPRQARAJKNHQ-UHFFFAOYSA-N 1 2 488.702 3.704 20 0 JHADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942674 1070463698 /nfs/dbraw/zinc/46/36/98/1070463698.db2.gz IYSUZKAGEJCYAF-IAGOWNOFSA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942674 1070463715 /nfs/dbraw/zinc/46/37/15/1070463715.db2.gz IYSUZKAGEJCYAF-IAGOWNOFSA-N 1 2 459.509 3.889 20 0 JHADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001309094384 1070536517 /nfs/dbraw/zinc/53/65/17/1070536517.db2.gz QSAAMJKITZCDCT-CQSZACIVSA-N 1 2 453.923 3.557 20 0 JHADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1C ZINC001309120804 1070550862 /nfs/dbraw/zinc/55/08/62/1070550862.db2.gz GHQAGAOQKUUHBN-UHFFFAOYSA-N 1 2 453.280 3.967 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1C ZINC001309156322 1070573419 /nfs/dbraw/zinc/57/34/19/1070573419.db2.gz IFLDAOSZNSDCNC-IBGZPJMESA-N 1 2 450.988 3.768 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1C ZINC001309156322 1070573434 /nfs/dbraw/zinc/57/34/34/1070573434.db2.gz IFLDAOSZNSDCNC-IBGZPJMESA-N 1 2 450.988 3.768 20 0 JHADLO CC[S@@](=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001314571440 1070577832 /nfs/dbraw/zinc/57/78/32/1070577832.db2.gz JUDMOPXHXJIWOC-JGCGQSQUSA-N 1 2 494.086 3.759 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001314607289 1070666052 /nfs/dbraw/zinc/66/60/52/1070666052.db2.gz KYNYESQDRCMGKQ-OAQYLSRUSA-N 1 2 485.702 3.802 20 0 JHADLO CCSCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001314614199 1070682333 /nfs/dbraw/zinc/68/23/33/1070682333.db2.gz UIOJNFSLFSMCKK-UHFFFAOYSA-N 1 2 482.492 3.928 20 0 JHADLO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001313569158 1070682436 /nfs/dbraw/zinc/68/24/36/1070682436.db2.gz KWLLZEMQZNJLGG-BGYRXZFFSA-N 1 2 469.634 3.939 20 0 JHADLO CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313580569 1070699891 /nfs/dbraw/zinc/69/98/91/1070699891.db2.gz NPSAXCACIPWYHG-RPLLCQBOSA-N 1 2 485.673 3.935 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCNc2cccc[nH+]2)C1 ZINC001314624338 1070709203 /nfs/dbraw/zinc/70/92/03/1070709203.db2.gz FDBGGTFGKOJKAF-HXUWFJFHSA-N 1 2 478.601 3.683 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001314647474 1070750237 /nfs/dbraw/zinc/75/02/37/1070750237.db2.gz BVLPEHQGKPZNFB-FQEVSTJZSA-N 1 2 494.086 3.976 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313632982 1070763901 /nfs/dbraw/zinc/76/39/01/1070763901.db2.gz CBQZAVUDBWDQGS-UHFFFAOYSA-N 1 2 464.614 3.928 20 0 JHADLO CCN(CC)C(=O)CCCn1c(-c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001313638518 1070779534 /nfs/dbraw/zinc/77/95/34/1070779534.db2.gz VNDWNWSSNVHJFV-UHFFFAOYSA-N 1 2 461.614 3.617 20 0 JHADLO CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314662100 1070788238 /nfs/dbraw/zinc/78/82/38/1070788238.db2.gz XYKRNDLCNWDHBO-IBGZPJMESA-N 1 2 455.607 3.548 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)(C)CC2)c[nH+]1 ZINC001314662127 1070788482 /nfs/dbraw/zinc/78/84/82/1070788482.db2.gz YZVMLKOSQCMELN-HXUWFJFHSA-N 1 2 499.660 3.722 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001314661765 1070787038 /nfs/dbraw/zinc/78/70/38/1070787038.db2.gz ZVEPZXFOSKUXBT-QGZVFWFLSA-N 1 2 466.895 3.875 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)C2 ZINC001314663565 1070792266 /nfs/dbraw/zinc/79/22/66/1070792266.db2.gz GYPYQSQBKLHQMN-RUZDIDTESA-N 1 2 452.578 3.646 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCC(F)F)C2 ZINC001314664737 1070795584 /nfs/dbraw/zinc/79/55/84/1070795584.db2.gz ZJYRSFULZGOTTO-UHFFFAOYSA-N 1 2 471.556 3.687 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)C)CC1 ZINC001313645450 1070802574 /nfs/dbraw/zinc/80/25/74/1070802574.db2.gz ATFMUBKNKUPTAZ-UHFFFAOYSA-N 1 2 472.703 3.922 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)C)CC1 ZINC001313646045 1070806143 /nfs/dbraw/zinc/80/61/43/1070806143.db2.gz DRLIDEYXDAJPHE-UHFFFAOYSA-N 1 2 491.478 3.744 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001313648127 1070814205 /nfs/dbraw/zinc/81/42/05/1070814205.db2.gz LNRWBUPEZTXIEZ-JOCHJYFZSA-N 1 2 452.647 3.762 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2nc(C(C)C)cs2)CC1 ZINC001313648149 1070815589 /nfs/dbraw/zinc/81/55/89/1070815589.db2.gz MCTXYQWNOOATGS-UHFFFAOYSA-N 1 2 495.697 3.872 20 0 JHADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCOc3c(Cl)cc(Br)cc32)C1 ZINC001309558834 1070856462 /nfs/dbraw/zinc/85/64/62/1070856462.db2.gz QKHZAWIQKDZVOQ-UHFFFAOYSA-N 1 2 457.777 3.678 20 0 JHADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCOc3c(Cl)cc(Br)cc32)C1 ZINC001309558834 1070856491 /nfs/dbraw/zinc/85/64/91/1070856491.db2.gz QKHZAWIQKDZVOQ-UHFFFAOYSA-N 1 2 457.777 3.678 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001309640896 1070896878 /nfs/dbraw/zinc/89/68/78/1070896878.db2.gz IGDLDHXEVHTHCQ-YESZJQIVSA-N 1 2 450.988 3.799 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001309640896 1070896904 /nfs/dbraw/zinc/89/69/04/1070896904.db2.gz IGDLDHXEVHTHCQ-YESZJQIVSA-N 1 2 450.988 3.799 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001309642494 1070897806 /nfs/dbraw/zinc/89/78/06/1070897806.db2.gz WTPUCKIMHPIRTG-ZACQAIPSSA-N 1 2 450.988 3.783 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001309642494 1070897828 /nfs/dbraw/zinc/89/78/28/1070897828.db2.gz WTPUCKIMHPIRTG-ZACQAIPSSA-N 1 2 450.988 3.783 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC=C(C)CC2)c[nH+]1 ZINC001313673894 1070909367 /nfs/dbraw/zinc/90/93/67/1070909367.db2.gz PBHNRFJMBKGWGN-UHFFFAOYSA-N 1 2 480.638 3.795 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H]2CCOC2)c[nH+]1 ZINC001313673354 1070907007 /nfs/dbraw/zinc/90/70/07/1070907007.db2.gz LWUDNGLWCIOUIJ-SFHVURJKSA-N 1 2 488.434 3.561 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001313673418 1070907166 /nfs/dbraw/zinc/90/71/66/1070907166.db2.gz MQXZSFJYSMYQKJ-AZUAARDMSA-N 1 2 495.603 3.548 20 0 JHADLO CN(CC(F)(F)F)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314717305 1070908795 /nfs/dbraw/zinc/90/87/95/1070908795.db2.gz WOAJLDWSPPKKBI-UHFFFAOYSA-N 1 2 466.895 3.877 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313675793 1070918148 /nfs/dbraw/zinc/91/81/48/1070918148.db2.gz QNWXYXLGHVXUAH-OALUTQOASA-N 1 2 465.664 3.655 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(F)cc(F)c2)c[nH+]1 ZINC001313675874 1070918848 /nfs/dbraw/zinc/91/88/48/1070918848.db2.gz SBHFPRRDLCBMJX-UHFFFAOYSA-N 1 2 483.567 3.718 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC001313678037 1070927703 /nfs/dbraw/zinc/92/77/03/1070927703.db2.gz BBBCFDGVQOFMJK-LEWJYISDSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678293 1070928492 /nfs/dbraw/zinc/92/84/92/1070928492.db2.gz HEFCYZIRNUQQTQ-LJQANCHMSA-N 1 2 471.650 3.969 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccccc2)c[nH+]1 ZINC001313678551 1070929926 /nfs/dbraw/zinc/92/99/26/1070929926.db2.gz CRIOETHWRGFHCT-UGKGYDQZSA-N 1 2 482.654 3.667 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)c[nH+]1 ZINC001313678674 1070930979 /nfs/dbraw/zinc/93/09/79/1070930979.db2.gz JVCNCIRHOQXMBY-OAQYLSRUSA-N 1 2 491.640 3.512 20 0 JHADLO O=S(=O)(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cnc2c(Br)csc2c1 ZINC001309706148 1070932990 /nfs/dbraw/zinc/93/29/90/1070932990.db2.gz HAZQTGMVWFYLFO-CQSZACIVSA-N 1 2 452.399 3.612 20 0 JHADLO O=S(=O)(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cnc2c(Br)csc2c1 ZINC001309706148 1070933002 /nfs/dbraw/zinc/93/30/02/1070933002.db2.gz HAZQTGMVWFYLFO-CQSZACIVSA-N 1 2 452.399 3.612 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c[nH+]1 ZINC001313680682 1070939768 /nfs/dbraw/zinc/93/97/68/1070939768.db2.gz NJLYAOZRLXNHAU-SFHVURJKSA-N 1 2 495.653 3.585 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c[nH+]1 ZINC001313679349 1070934882 /nfs/dbraw/zinc/93/48/82/1070934882.db2.gz IXVYJZOVYLRDPM-NRFANRHFSA-N 1 2 453.635 3.530 20 0 JHADLO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314737054 1070965824 /nfs/dbraw/zinc/96/58/24/1070965824.db2.gz JNEYRQCECLVMQS-PGUFJCEWSA-N 1 2 496.681 3.520 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)ccc1Br ZINC001309786034 1070967073 /nfs/dbraw/zinc/96/70/73/1070967073.db2.gz OWDFFHPJBUVSCB-QGZVFWFLSA-N 1 2 451.386 3.513 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)ccc1Br ZINC001309786034 1070967082 /nfs/dbraw/zinc/96/70/82/1070967082.db2.gz OWDFFHPJBUVSCB-QGZVFWFLSA-N 1 2 451.386 3.513 20 0 JHADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1C(C)(C)C ZINC001309833719 1070989392 /nfs/dbraw/zinc/98/93/92/1070989392.db2.gz VKJVHJLLGPFROW-AWEZNQCLSA-N 1 2 454.228 3.562 20 0 JHADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1C(C)(C)C ZINC001309833719 1070989398 /nfs/dbraw/zinc/98/93/98/1070989398.db2.gz VKJVHJLLGPFROW-AWEZNQCLSA-N 1 2 454.228 3.562 20 0 JHADLO CN(Cc1ccccc1Br)c1nnc(-c2cnn(C)c2)n1CCCNc1cccc[nH+]1 ZINC001314746614 1070991809 /nfs/dbraw/zinc/99/18/09/1070991809.db2.gz NZCXPSZFRSHLQY-UHFFFAOYSA-N 1 2 481.402 3.975 20 0 JHADLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)[nH+]c1C ZINC001309853681 1070996526 /nfs/dbraw/zinc/99/65/26/1070996526.db2.gz FYGAQMGLPNMRQX-LBPRGKRZSA-N 1 2 458.769 3.616 20 0 JHADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2(c3cccc(F)c3F)CCCC2)CC1 ZINC001310011247 1071056457 /nfs/dbraw/zinc/05/64/57/1071056457.db2.gz NNVWTAMDENGIEY-UHFFFAOYSA-N 1 2 456.537 3.986 20 0 JHADLO CN(C[C@H]1CCCOC1)c1nnc(Cc2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314809452 1071099942 /nfs/dbraw/zinc/09/99/42/1071099942.db2.gz XLVRVUJUSABSBE-KNQAVFIVSA-N 1 2 470.568 3.708 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(COc2ccccc2F)n1CC(C)(C)O ZINC001313780295 1071144106 /nfs/dbraw/zinc/14/41/06/1071144106.db2.gz ZQHVKBWSKHZMEP-UHFFFAOYSA-N 1 2 482.604 3.905 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001313781543 1071146131 /nfs/dbraw/zinc/14/61/31/1071146131.db2.gz RDPXFJHGYMGTOM-UGKGYDQZSA-N 1 2 470.568 3.850 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001310139479 1071147728 /nfs/dbraw/zinc/14/77/28/1071147728.db2.gz KDDABIJZQDOSEC-SHJAMOMRSA-N 1 2 464.582 3.765 20 0 JHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001310139479 1071147735 /nfs/dbraw/zinc/14/77/35/1071147735.db2.gz KDDABIJZQDOSEC-SHJAMOMRSA-N 1 2 464.582 3.765 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313782591 1071148499 /nfs/dbraw/zinc/14/84/99/1071148499.db2.gz JGHDUAIFAGZLPH-IEBWSBKVSA-N 1 2 498.455 3.890 20 0 JHADLO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001310155387 1071160126 /nfs/dbraw/zinc/16/01/26/1071160126.db2.gz PNUISUKEUSNDLW-GOSISDBHSA-N 1 2 453.612 3.971 20 0 JHADLO CN(CCC1CCOCC1)c1nnc(-c2cnccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314840617 1071188364 /nfs/dbraw/zinc/18/83/64/1071188364.db2.gz BYVANZVUKOBVGK-OAQYLSRUSA-N 1 2 471.556 3.569 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001314870118 1071280020 /nfs/dbraw/zinc/28/00/20/1071280020.db2.gz NKPMBIYMOLWDHT-MRXNPFEDSA-N 1 2 484.389 3.911 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1Cc1cccs1 ZINC001314870346 1071280745 /nfs/dbraw/zinc/28/07/45/1071280745.db2.gz QCQFRTAJCMVQGL-UHFFFAOYSA-N 1 2 468.446 3.647 20 0 JHADLO Cc1ccc(Cc2nnc(NC(=O)NC[C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310296759 1071280749 /nfs/dbraw/zinc/28/07/49/1071280749.db2.gz NJXKRQSHSHILCU-NRFANRHFSA-N 1 2 451.596 3.768 20 0 JHADLO Cc1ccc(Cc2nnc(NC(=O)NC[C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)s2)cc1 ZINC001310296759 1071280766 /nfs/dbraw/zinc/28/07/66/1071280766.db2.gz NJXKRQSHSHILCU-NRFANRHFSA-N 1 2 451.596 3.768 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1CCCc1cccc(C)[nH+]1 ZINC001313822682 1071286333 /nfs/dbraw/zinc/28/63/33/1071286333.db2.gz BJDMXGCCTASZHU-UHFFFAOYSA-N 1 2 462.019 3.806 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001314873545 1071290890 /nfs/dbraw/zinc/29/08/90/1071290890.db2.gz HOLQDHQPURIDEN-KRWDZBQOSA-N 1 2 469.964 3.714 20 0 JHADLO COCCc1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n(C)n1 ZINC001310431004 1071386316 /nfs/dbraw/zinc/38/63/16/1071386316.db2.gz HUOJZJIYTQTRRS-UHFFFAOYSA-N 1 2 457.575 3.826 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNc1cccc[nH+]1 ZINC001314948649 1071412288 /nfs/dbraw/zinc/41/22/88/1071412288.db2.gz CXJWGLXSBDHICX-IBGZPJMESA-N 1 2 463.630 3.958 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccc(F)cc3OCC(F)F)CC2)c1 ZINC001310485898 1071426120 /nfs/dbraw/zinc/42/61/20/1071426120.db2.gz KZAFDGBSNUSXMA-UHFFFAOYSA-N 1 2 453.461 3.707 20 0 JHADLO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314964591 1071443755 /nfs/dbraw/zinc/44/37/55/1071443755.db2.gz FXGHQKNUMMIJPQ-SANMLTNESA-N 1 2 462.598 3.657 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001313884967 1071465052 /nfs/dbraw/zinc/46/50/52/1071465052.db2.gz OLSYJYYXQRBFBL-BZSNNMDCSA-N 1 2 498.118 3.577 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001313884967 1071465056 /nfs/dbraw/zinc/46/50/56/1071465056.db2.gz OLSYJYYXQRBFBL-BZSNNMDCSA-N 1 2 498.118 3.577 20 0 JHADLO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314976628 1071469619 /nfs/dbraw/zinc/46/96/19/1071469619.db2.gz QVJZNXFSEDKFJD-UHFFFAOYSA-N 1 2 455.566 3.672 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313926200 1071576092 /nfs/dbraw/zinc/57/60/92/1071576092.db2.gz BLGULLBDZPYVRJ-PKTZIBPZSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313926186 1071576233 /nfs/dbraw/zinc/57/62/33/1071576233.db2.gz AZXHDZPBHZQLAF-XZOQPEGZSA-N 1 2 486.730 3.832 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001313927247 1071579304 /nfs/dbraw/zinc/57/93/04/1071579304.db2.gz JNCXAYMNJDKDMU-IBGZPJMESA-N 1 2 461.054 3.773 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313928299 1071583062 /nfs/dbraw/zinc/58/30/62/1071583062.db2.gz UJBNGZQVAGLVCT-OAQYLSRUSA-N 1 2 472.703 3.523 20 0 JHADLO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313928742 1071584510 /nfs/dbraw/zinc/58/45/10/1071584510.db2.gz VXGGSRFTZYMOEI-HXUWFJFHSA-N 1 2 458.626 3.791 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929066 1071585948 /nfs/dbraw/zinc/58/59/48/1071585948.db2.gz XDXHHADDGFPSJP-JOCHJYFZSA-N 1 2 486.730 3.832 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314015945 1071758133 /nfs/dbraw/zinc/75/81/33/1071758133.db2.gz DCXZJTZXGPNRHY-QFBILLFUSA-N 1 2 464.561 3.651 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314041043 1071842390 /nfs/dbraw/zinc/84/23/90/1071842390.db2.gz ZKAUITDPWAYIRF-OXJNMPFZSA-N 1 2 487.555 3.569 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314045753 1071861688 /nfs/dbraw/zinc/86/16/88/1071861688.db2.gz MRINHTVKHWILIQ-HSZRJFAPSA-N 1 2 491.640 3.678 20 0 JHADLO CCO[C@]1(c2nnc(N(CC)Cc3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001314099663 1071982168 /nfs/dbraw/zinc/98/21/68/1071982168.db2.gz LTVMCOBNKXJENP-HSZRJFAPSA-N 1 2 456.616 3.528 20 0 JHADLO CCO[C@@]1(c2nnc(N(CC)Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001314101590 1071986016 /nfs/dbraw/zinc/98/60/16/1071986016.db2.gz SIAMYVQZFJSDSL-VWLOTQADSA-N 1 2 468.577 3.605 20 0 JHADLO CCO[C@@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314102561 1071988172 /nfs/dbraw/zinc/98/81/72/1071988172.db2.gz XZWNNJATAGXPQF-SANMLTNESA-N 1 2 489.636 3.595 20 0 JHADLO CCO[C@@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314102561 1071988178 /nfs/dbraw/zinc/98/81/78/1071988178.db2.gz XZWNNJATAGXPQF-SANMLTNESA-N 1 2 489.636 3.595 20 0 JHADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cc(F)ccc4OC)CC3)n2CCC=C(C)C)CCOC1 ZINC001314138989 1072052125 /nfs/dbraw/zinc/05/21/25/1072052125.db2.gz ZOJBUFIHMIIJDU-SANMLTNESA-N 1 2 487.620 3.756 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[C@H](C(=O)OC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC001305930031 1068229684 /nfs/dbraw/zinc/22/96/84/1068229684.db2.gz FXZVDCAUXQIBQS-QFIPXVFZSA-N 1 2 462.598 3.796 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001305945509 1068259377 /nfs/dbraw/zinc/25/93/77/1068259377.db2.gz UMXZJMFGSHNPGX-UHFFFAOYSA-N 1 2 490.656 3.534 20 0 JHADLO CCc1cnc(CCn2c(CC)nnc2N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)s1 ZINC001305991626 1068353249 /nfs/dbraw/zinc/35/32/49/1068353249.db2.gz CULSLMOVQPJXHW-UHFFFAOYSA-N 1 2 458.607 3.572 20 0 JHADLO CCc1nnc(N(C)C[C@@H](C)Cc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306074453 1068507398 /nfs/dbraw/zinc/50/73/98/1068507398.db2.gz JUISAVXDEVAXKM-LEWJYISDSA-N 1 2 478.641 3.833 20 0 JHADLO CCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(OC)c(OC)c1Cl ZINC001306158366 1068556314 /nfs/dbraw/zinc/55/63/14/1068556314.db2.gz WCSQYKDQLIVHIL-UHFFFAOYSA-N 1 2 471.005 3.778 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306164272 1068559592 /nfs/dbraw/zinc/55/95/92/1068559592.db2.gz HCJNDHIDEQFBCB-LADGPHEKSA-N 1 2 496.700 3.601 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306164273 1068559683 /nfs/dbraw/zinc/55/96/83/1068559683.db2.gz HCJNDHIDEQFBCB-UPVQGACJSA-N 1 2 496.700 3.601 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306166312 1068562224 /nfs/dbraw/zinc/56/22/24/1068562224.db2.gz NPFFEJWYKFIOSK-JTHBVZDNSA-N 1 2 498.672 3.655 20 0 JHADLO CCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001306206148 1068597313 /nfs/dbraw/zinc/59/73/13/1068597313.db2.gz XZCKYRCQZQVDRU-UHFFFAOYSA-N 1 2 490.624 3.615 20 0 JHADLO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306261124 1068671265 /nfs/dbraw/zinc/67/12/65/1068671265.db2.gz SXNKBSMNKQYLDI-UGKGYDQZSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001306261124 1068671276 /nfs/dbraw/zinc/67/12/76/1068671276.db2.gz SXNKBSMNKQYLDI-UGKGYDQZSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001306261560 1068671848 /nfs/dbraw/zinc/67/18/48/1068671848.db2.gz SPCWAIXCAUYIQP-QHCPKHFHSA-N 1 2 462.598 3.525 20 0 JHADLO CC[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306341797 1068778505 /nfs/dbraw/zinc/77/85/05/1068778505.db2.gz SNBAEXSCSLNFKX-VXKWHMMOSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306399691 1068855673 /nfs/dbraw/zinc/85/56/73/1068855673.db2.gz CYNXDCIVTNJKLO-UKEIPCDJSA-N 1 2 494.105 3.693 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001306415246 1068903515 /nfs/dbraw/zinc/90/35/15/1068903515.db2.gz OMCYOYPWPMNDMZ-LZJOCLMNSA-N 1 2 458.557 3.868 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c[nH+]ccc2OC)C[C@H](C)O1 ZINC001306450419 1068969320 /nfs/dbraw/zinc/96/93/20/1068969320.db2.gz FWLRNNRVQBMART-FPOVZHCZSA-N 1 2 451.571 3.930 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306456358 1068981102 /nfs/dbraw/zinc/98/11/02/1068981102.db2.gz BVMBERKXUBYARQ-UGGKCQTMSA-N 1 2 456.635 3.710 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306458840 1068991193 /nfs/dbraw/zinc/99/11/93/1068991193.db2.gz SEGOHVFIFPBZFE-SFHVURJKSA-N 1 2 455.584 3.649 20 0 JHADLO CC/C=C\Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306488233 1069027381 /nfs/dbraw/zinc/02/73/81/1069027381.db2.gz FULVFZTWYZSHHV-FBQMEGEOSA-N 1 2 487.048 3.610 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001310676545 1069104616 /nfs/dbraw/zinc/10/46/16/1069104616.db2.gz MPDGPZFKMXSDJM-WMZOPIPTSA-N 1 2 458.868 3.956 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001310676545 1069104619 /nfs/dbraw/zinc/10/46/19/1069104619.db2.gz MPDGPZFKMXSDJM-WMZOPIPTSA-N 1 2 458.868 3.956 20 0 JHADLO Cc1nc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)sc1Cc1ccc(F)cc1 ZINC001310695142 1069116962 /nfs/dbraw/zinc/11/69/62/1069116962.db2.gz XVXZXSCFLXCKCX-NRFANRHFSA-N 1 2 450.605 3.511 20 0 JHADLO Cc1nc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)sc1Cc1ccc(F)cc1 ZINC001310695143 1069117033 /nfs/dbraw/zinc/11/70/33/1069117033.db2.gz XVXZXSCFLXCKCX-OAQYLSRUSA-N 1 2 450.605 3.511 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306517820 1069129228 /nfs/dbraw/zinc/12/92/28/1069129228.db2.gz IPQUCYRDERLYJD-QGZVFWFLSA-N 1 2 484.004 3.578 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754044 1069150943 /nfs/dbraw/zinc/15/09/43/1069150943.db2.gz JWFJRTMYDJAPII-IEBWSBKVSA-N 1 2 450.992 3.884 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754044 1069150952 /nfs/dbraw/zinc/15/09/52/1069150952.db2.gz JWFJRTMYDJAPII-IEBWSBKVSA-N 1 2 450.992 3.884 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306531915 1069172906 /nfs/dbraw/zinc/17/29/06/1069172906.db2.gz WSHDZDNTPYNHKB-SQHAQQRYSA-N 1 2 468.690 3.663 20 0 JHADLO Cc1csc([C@@H](NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC001310815318 1069175406 /nfs/dbraw/zinc/17/54/06/1069175406.db2.gz CYRZQWZRWRJHLU-SJLPKXTDSA-N 1 2 456.534 3.987 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001306565272 1069233090 /nfs/dbraw/zinc/23/30/90/1069233090.db2.gz JUZQOSQVJBHCIX-PCCBWWKXSA-N 1 2 490.693 3.786 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001306565271 1069233162 /nfs/dbraw/zinc/23/31/62/1069233162.db2.gz JUZQOSQVJBHCIX-NJYVYQBISA-N 1 2 490.693 3.786 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001306569556 1069237099 /nfs/dbraw/zinc/23/70/99/1069237099.db2.gz UIDNATNKFPIHCT-INIZCTEOSA-N 1 2 471.631 3.623 20 0 JHADLO C[C@@H](NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC001311006552 1069246450 /nfs/dbraw/zinc/24/64/50/1069246450.db2.gz JWHKNPAWOLDPOR-ZJUUUORDSA-N 1 2 458.250 3.718 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cc(Cl)c(Br)cc1F ZINC001311040603 1069255396 /nfs/dbraw/zinc/25/53/96/1069255396.db2.gz LJTOREVDCICBLI-MRXNPFEDSA-N 1 2 452.777 3.571 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2SC)CC1 ZINC001311041852 1069256386 /nfs/dbraw/zinc/25/63/86/1069256386.db2.gz NNMQOJICQSHVAB-UHFFFAOYSA-N 1 2 455.930 3.893 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001311216349 1069299809 /nfs/dbraw/zinc/29/98/09/1069299809.db2.gz HYMYBIDIEOUPNX-VXKWHMMOSA-N 1 2 456.974 3.906 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001311216349 1069299830 /nfs/dbraw/zinc/29/98/30/1069299830.db2.gz HYMYBIDIEOUPNX-VXKWHMMOSA-N 1 2 456.974 3.906 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164663532 719346275 /nfs/dbraw/zinc/34/62/75/719346275.db2.gz JYRVLPROAJFMJO-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164663532 719346276 /nfs/dbraw/zinc/34/62/76/719346276.db2.gz JYRVLPROAJFMJO-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164664925 719355878 /nfs/dbraw/zinc/35/58/78/719355878.db2.gz SMXWZUDZEYYTSS-UHFFFAOYSA-N 1 2 480.016 3.574 20 0 JHADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164664925 719355881 /nfs/dbraw/zinc/35/58/81/719355881.db2.gz SMXWZUDZEYYTSS-UHFFFAOYSA-N 1 2 480.016 3.574 20 0 JHADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CCCCC1 ZINC001164667224 719494717 /nfs/dbraw/zinc/49/47/17/719494717.db2.gz ITEPVTKGYCMIIB-UHFFFAOYSA-N 1 2 452.574 3.718 20 0 JHADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CCCCC1 ZINC001164667224 719494732 /nfs/dbraw/zinc/49/47/32/719494732.db2.gz ITEPVTKGYCMIIB-UHFFFAOYSA-N 1 2 452.574 3.718 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164698350 719850884 /nfs/dbraw/zinc/85/08/84/719850884.db2.gz BNMXWNAAIISQSN-UTKZUKDTSA-N 1 2 453.917 3.666 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C2)C1 ZINC001164722858 720298739 /nfs/dbraw/zinc/29/87/39/720298739.db2.gz SPWAWHNDEUOMDQ-QHCPKHFHSA-N 1 2 496.961 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C2)C1 ZINC001164722858 720298749 /nfs/dbraw/zinc/29/87/49/720298749.db2.gz SPWAWHNDEUOMDQ-QHCPKHFHSA-N 1 2 496.961 3.751 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sc(C(C)C)cc54)CC3)C2=O)cs1 ZINC001164823144 720358870 /nfs/dbraw/zinc/35/88/70/720358870.db2.gz BALKNEQOCKEDJV-UHFFFAOYSA-N 1 2 470.668 3.893 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sc(C(C)C)cc54)CC3)C2=O)cs1 ZINC001164823144 720358878 /nfs/dbraw/zinc/35/88/78/720358878.db2.gz BALKNEQOCKEDJV-UHFFFAOYSA-N 1 2 470.668 3.893 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c(C)cccc54)CC3)C2=O)cs1 ZINC001164824799 720364589 /nfs/dbraw/zinc/36/45/89/720364589.db2.gz MCPBCHPRUUARFY-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c(C)cccc54)CC3)C2=O)cs1 ZINC001164824799 720364597 /nfs/dbraw/zinc/36/45/97/720364597.db2.gz MCPBCHPRUUARFY-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5cc(C)c(C)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164819696 720373956 /nfs/dbraw/zinc/37/39/56/720373956.db2.gz GHNIWXIYLWWHLX-UHFFFAOYSA-N 1 2 485.057 3.978 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5cc(C)c(C)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164819696 720373963 /nfs/dbraw/zinc/37/39/63/720373963.db2.gz GHNIWXIYLWWHLX-UHFFFAOYSA-N 1 2 485.057 3.978 20 0 JHADLO CSc1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820719 720377632 /nfs/dbraw/zinc/37/76/32/720377632.db2.gz QZHLPGTWTAGYQU-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO CSc1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820719 720377635 /nfs/dbraw/zinc/37/76/35/720377635.db2.gz QZHLPGTWTAGYQU-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5sc6c(c54)CCCC6)CC3)C2=O)cs1 ZINC001164819901 720380052 /nfs/dbraw/zinc/38/00/52/720380052.db2.gz IZJWBMXCIKTAHJ-UHFFFAOYSA-N 1 2 496.706 3.957 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5sc6c(c54)CCCC6)CC3)C2=O)cs1 ZINC001164819901 720380059 /nfs/dbraw/zinc/38/00/59/720380059.db2.gz IZJWBMXCIKTAHJ-UHFFFAOYSA-N 1 2 496.706 3.957 20 0 JHADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nn2)cc1 ZINC001164821303 720381141 /nfs/dbraw/zinc/38/11/41/720381141.db2.gz FGMNXYIIOURANA-UHFFFAOYSA-N 1 2 492.649 3.620 20 0 JHADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nn2)cc1 ZINC001164821303 720381148 /nfs/dbraw/zinc/38/11/48/720381148.db2.gz FGMNXYIIOURANA-UHFFFAOYSA-N 1 2 492.649 3.620 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164859392 720895277 /nfs/dbraw/zinc/89/52/77/720895277.db2.gz PTDLIUVEMPMIJL-UHFFFAOYSA-N 1 2 492.317 3.693 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164858742 720896144 /nfs/dbraw/zinc/89/61/44/720896144.db2.gz ONNPUZZUKDBLLZ-UHFFFAOYSA-N 1 2 492.317 3.693 20 0 JHADLO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860934 720897950 /nfs/dbraw/zinc/89/79/50/720897950.db2.gz WMQCHVJHWCMZJY-FUFSCUOVSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860934 720897952 /nfs/dbraw/zinc/89/79/52/720897952.db2.gz WMQCHVJHWCMZJY-FUFSCUOVSA-N 1 2 483.616 3.593 20 0 JHADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766034 721272500 /nfs/dbraw/zinc/27/25/00/721272500.db2.gz MPQSBQHAWSOLML-MRXNPFEDSA-N 1 2 475.931 3.582 20 0 JHADLO Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)n1 ZINC001164874796 721329467 /nfs/dbraw/zinc/32/94/67/721329467.db2.gz JFCLXTYUORPOEM-GOSISDBHSA-N 1 2 451.962 3.647 20 0 JHADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913216 721794147 /nfs/dbraw/zinc/79/41/47/721794147.db2.gz BICKGYITPITPOE-AREMUKBSSA-N 1 2 496.995 3.568 20 0 JHADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913216 721794149 /nfs/dbraw/zinc/79/41/49/721794149.db2.gz BICKGYITPITPOE-AREMUKBSSA-N 1 2 496.995 3.568 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164944995 721972768 /nfs/dbraw/zinc/97/27/68/721972768.db2.gz MFBSMTHKMPKXLN-UHFFFAOYSA-N 1 2 457.912 3.532 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164944995 721972771 /nfs/dbraw/zinc/97/27/71/721972771.db2.gz MFBSMTHKMPKXLN-UHFFFAOYSA-N 1 2 457.912 3.532 20 0 JHADLO COc1cc2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)[nH+]c2cc1OC ZINC001164986928 722183766 /nfs/dbraw/zinc/18/37/66/722183766.db2.gz FVXOIOAGWSHLLA-LEWJYISDSA-N 1 2 454.596 3.887 20 0 JHADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346337 1069332608 /nfs/dbraw/zinc/33/26/08/1069332608.db2.gz YZWQSHNQTGKEMF-REWPJTCUSA-N 1 2 450.583 3.718 20 0 JHADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346337 1069332597 /nfs/dbraw/zinc/33/25/97/1069332597.db2.gz YZWQSHNQTGKEMF-REWPJTCUSA-N 1 2 450.583 3.718 20 0 JHADLO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001311377070 1069350799 /nfs/dbraw/zinc/35/07/99/1069350799.db2.gz YNZAWMHDBOELIV-SFHVURJKSA-N 1 2 454.974 3.782 20 0 JHADLO CC1(C)C[C@H](CNC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCO1 ZINC001311378530 1069352630 /nfs/dbraw/zinc/35/26/30/1069352630.db2.gz NBAACPFDMRZQPG-HXUWFJFHSA-N 1 2 455.578 3.552 20 0 JHADLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311427522 1069374617 /nfs/dbraw/zinc/37/46/17/1069374617.db2.gz ZKDDEQNBIUVFFV-LJQANCHMSA-N 1 2 453.587 3.504 20 0 JHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001311491484 1069402926 /nfs/dbraw/zinc/40/29/26/1069402926.db2.gz YPYPOOLFDXKJDZ-PKOBYXMFSA-N 1 2 451.011 3.608 20 0 JHADLO CN(C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@H](CCc1ccccc1)C(F)F ZINC001311517987 1069419380 /nfs/dbraw/zinc/41/93/80/1069419380.db2.gz PVVJQGUHIRZZFO-JOCHJYFZSA-N 1 2 458.553 3.997 20 0 JHADLO CC(C)(C)OC(=O)NC[C@]12CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]1CCCC2 ZINC001311533500 1069426377 /nfs/dbraw/zinc/42/63/77/1069426377.db2.gz LSGBBZGWRQDHOK-NBGIEHNGSA-N 1 2 457.619 3.908 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306693841 1069430956 /nfs/dbraw/zinc/43/09/56/1069430956.db2.gz CIYIBCLSVUNOJP-FQEVSTJZSA-N 1 2 478.682 3.740 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306693841 1069430959 /nfs/dbraw/zinc/43/09/59/1069430959.db2.gz CIYIBCLSVUNOJP-FQEVSTJZSA-N 1 2 478.682 3.740 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001311593805 1069455635 /nfs/dbraw/zinc/45/56/35/1069455635.db2.gz KGHXKCZSFLLSEQ-SQHAQQRYSA-N 1 2 451.611 3.666 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001311593805 1069455642 /nfs/dbraw/zinc/45/56/42/1069455642.db2.gz KGHXKCZSFLLSEQ-SQHAQQRYSA-N 1 2 451.611 3.666 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306731413 1069485835 /nfs/dbraw/zinc/48/58/35/1069485835.db2.gz JNNNMFSETULMOH-RTWAWAEBSA-N 1 2 478.645 3.536 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311727683 1069523983 /nfs/dbraw/zinc/52/39/83/1069523983.db2.gz RCXQSCRBPASJHO-ZGNKEGEESA-N 1 2 459.974 3.761 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311727683 1069523986 /nfs/dbraw/zinc/52/39/86/1069523986.db2.gz RCXQSCRBPASJHO-ZGNKEGEESA-N 1 2 459.974 3.761 20 0 JHADLO C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311783706 1069544716 /nfs/dbraw/zinc/54/47/16/1069544716.db2.gz MCNRFPMXLKIEHH-MBSDFSHPSA-N 1 2 451.546 3.785 20 0 JHADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311826057 1069564010 /nfs/dbraw/zinc/56/40/10/1069564010.db2.gz AXIKHBMBNMYAII-IBGZPJMESA-N 1 2 456.344 3.633 20 0 JHADLO CCCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001306760883 1069561057 /nfs/dbraw/zinc/56/10/57/1069561057.db2.gz LHDWKEGFWJMSFX-UHFFFAOYSA-N 1 2 455.994 3.840 20 0 JHADLO CCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306775071 1069571956 /nfs/dbraw/zinc/57/19/56/1069571956.db2.gz LUVRTFXXHNVTBD-JOCHJYFZSA-N 1 2 454.644 3.862 20 0 JHADLO CCCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306800596 1069605864 /nfs/dbraw/zinc/60/58/64/1069605864.db2.gz GBYNXNHSAUPIQT-UHFFFAOYSA-N 1 2 465.067 3.624 20 0 JHADLO CCCN(Cc1ccc(F)cc1C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306809108 1069627311 /nfs/dbraw/zinc/62/73/11/1069627311.db2.gz STTHKZKMXTZYCK-IRLDBZIGSA-N 1 2 459.610 3.757 20 0 JHADLO NC(=O)c1cccc(CN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C2CC2)c1 ZINC001311955001 1069633891 /nfs/dbraw/zinc/63/38/91/1069633891.db2.gz TVJLTMXZVNMWJB-HXUWFJFHSA-N 1 2 458.965 3.917 20 0 JHADLO NC(=O)c1cccc(CN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C2CC2)c1 ZINC001311955001 1069633894 /nfs/dbraw/zinc/63/38/94/1069633894.db2.gz TVJLTMXZVNMWJB-HXUWFJFHSA-N 1 2 458.965 3.917 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001314176787 1069707330 /nfs/dbraw/zinc/70/73/30/1069707330.db2.gz UXIMPCPHFJJCOE-HHHXNRCGSA-N 1 2 492.624 3.651 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314178851 1069716689 /nfs/dbraw/zinc/71/66/89/1069716689.db2.gz GUAIRGHOGWKQNN-HXUWFJFHSA-N 1 2 493.486 3.572 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001312097766 1069719744 /nfs/dbraw/zinc/71/97/44/1069719744.db2.gz TWRHQKNRLUHNQO-OAQYLSRUSA-N 1 2 459.635 3.666 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314181771 1069725947 /nfs/dbraw/zinc/72/59/47/1069725947.db2.gz RGPAIHKMBORNRH-UHFFFAOYSA-N 1 2 461.570 3.826 20 0 JHADLO CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC001314186708 1069740775 /nfs/dbraw/zinc/74/07/75/1069740775.db2.gz QEKDIYBLZQGPPN-LJQANCHMSA-N 1 2 450.587 3.969 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001312255568 1069813152 /nfs/dbraw/zinc/81/31/52/1069813152.db2.gz CQWNRMCTTCLPKF-XUZZJYLKSA-N 1 2 458.628 3.938 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3ccc(C)cc3O[C@@H]3CCOC3)CC2)c1 ZINC001312278960 1069832825 /nfs/dbraw/zinc/83/28/25/1069832825.db2.gz QXIISTDDQIOEMJ-GBXCKJPGSA-N 1 2 453.583 3.760 20 0 JHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2(n3cc(Br)cn3)CC2)c(C)c1 ZINC001312350267 1069879514 /nfs/dbraw/zinc/87/95/14/1069879514.db2.gz KATYDKPNLFKEEY-IBGZPJMESA-N 1 2 457.376 3.689 20 0 JHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(C)c1 ZINC001312352946 1069881569 /nfs/dbraw/zinc/88/15/69/1069881569.db2.gz YHOZHMMFGUGNPB-LEWJYISDSA-N 1 2 453.587 3.940 20 0 JHADLO CCOc1ccnc(N2CCCN(c3nnc(C(C)C)n3CCCc3cccc(C)[nH+]3)CC2)n1 ZINC001314229405 1069911888 /nfs/dbraw/zinc/91/18/88/1069911888.db2.gz RNJWHUITDIWWRU-UHFFFAOYSA-N 1 2 464.618 3.643 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312423630 1069925721 /nfs/dbraw/zinc/92/57/21/1069925721.db2.gz AXIXXYBNLIENIR-NNWRFLSQSA-N 1 2 459.974 3.933 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312423630 1069925739 /nfs/dbraw/zinc/92/57/39/1069925739.db2.gz AXIXXYBNLIENIR-NNWRFLSQSA-N 1 2 459.974 3.933 20 0 JHADLO C[C@@H]1COCC[N@@H+]1CCSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001307288201 1069928733 /nfs/dbraw/zinc/92/87/33/1069928733.db2.gz GCUXZCBROJZVRI-GOSISDBHSA-N 1 2 454.571 3.754 20 0 JHADLO C[C@@H]1COCC[N@H+]1CCSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001307288201 1069928747 /nfs/dbraw/zinc/92/87/47/1069928747.db2.gz GCUXZCBROJZVRI-GOSISDBHSA-N 1 2 454.571 3.754 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427091 1069929904 /nfs/dbraw/zinc/92/99/04/1069929904.db2.gz UIDFFMDKVDITCL-GGAORHGYSA-N 1 2 453.974 3.671 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427091 1069929917 /nfs/dbraw/zinc/92/99/17/1069929917.db2.gz UIDFFMDKVDITCL-GGAORHGYSA-N 1 2 453.974 3.671 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)([NH+]2CCOCC2)C1 ZINC001314239966 1069941177 /nfs/dbraw/zinc/94/11/77/1069941177.db2.gz JBWVNIFOFXJFLE-AWSZRKRNSA-N 1 2 473.584 3.696 20 0 JHADLO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1Cl ZINC001312501070 1069976553 /nfs/dbraw/zinc/97/65/53/1069976553.db2.gz WEGQLXOHTNULFK-CTNGQTDRSA-N 1 2 458.971 3.668 20 0 JHADLO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)Cc1ccccn1 ZINC001307423775 1069977038 /nfs/dbraw/zinc/97/70/38/1069977038.db2.gz IDXKQXHVPROYKA-UHFFFAOYSA-N 1 2 458.628 3.884 20 0 JHADLO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)Cc1ccccn1 ZINC001307423775 1069977054 /nfs/dbraw/zinc/97/70/54/1069977054.db2.gz IDXKQXHVPROYKA-UHFFFAOYSA-N 1 2 458.628 3.884 20 0 JHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC001312547044 1070005705 /nfs/dbraw/zinc/00/57/05/1070005705.db2.gz OWGOBWOHLXZGSR-UHFFFAOYSA-N 1 2 450.352 3.933 20 0 JHADLO CCOc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](CCOc3ccc(Cl)cc3)CC1)CCO2 ZINC001312551815 1070009139 /nfs/dbraw/zinc/00/91/39/1070009139.db2.gz DTSQMTJWDAQHJT-JOCHJYFZSA-N 1 2 459.974 3.969 20 0 JHADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC001307485471 1070012159 /nfs/dbraw/zinc/01/21/59/1070012159.db2.gz HZBVYVCAOXDQJI-HNNXBMFYSA-N 1 2 450.582 3.511 20 0 JHADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC001307485471 1070012181 /nfs/dbraw/zinc/01/21/81/1070012181.db2.gz HZBVYVCAOXDQJI-HNNXBMFYSA-N 1 2 450.582 3.511 20 0 JHADLO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001307517764 1070030134 /nfs/dbraw/zinc/03/01/34/1070030134.db2.gz FVMNJSNSOFLXFR-FQEVSTJZSA-N 1 2 453.505 3.964 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001307568808 1070056150 /nfs/dbraw/zinc/05/61/50/1070056150.db2.gz NYKWMTIXPPPRMS-QGZVFWFLSA-N 1 2 458.584 3.654 20 0 JHADLO CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1cccc(Br)c1 ZINC001307573829 1070059958 /nfs/dbraw/zinc/05/99/58/1070059958.db2.gz JLYUZWQJLKQXLU-UHFFFAOYSA-N 1 2 458.400 3.555 20 0 JHADLO CCOCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001314286551 1070060439 /nfs/dbraw/zinc/06/04/39/1070060439.db2.gz NEPOFZPVFJZDKZ-OAQYLSRUSA-N 1 2 485.677 3.783 20 0 JHADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@@H](CO)c2ccccc2OC)cc1 ZINC001307604954 1070078419 /nfs/dbraw/zinc/07/84/19/1070078419.db2.gz CJWBXTNVFGHTJF-LOSJGSFVSA-N 1 2 459.546 3.705 20 0 JHADLO CCOCc1nnc(N(C)Cc2cc(C)cs2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314300825 1070084302 /nfs/dbraw/zinc/08/43/02/1070084302.db2.gz KOXVKSHIFZCQOG-QFIPXVFZSA-N 1 2 455.628 3.894 20 0 JHADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cscc1C ZINC001314304013 1070090006 /nfs/dbraw/zinc/09/00/06/1070090006.db2.gz LZBJHBLZLDGFPF-LJQANCHMSA-N 1 2 461.657 3.804 20 0 JHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1 ZINC001307659262 1070107430 /nfs/dbraw/zinc/10/74/30/1070107430.db2.gz RZXRFYCKRPEGML-MRXNPFEDSA-N 1 2 458.609 3.820 20 0 JHADLO COC(=O)c1sc2nc(C[N@H+](C)CCOc3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC001307681732 1070122837 /nfs/dbraw/zinc/12/28/37/1070122837.db2.gz XHPVVPRNXMYVBZ-UHFFFAOYSA-N 1 2 455.458 3.609 20 0 JHADLO COC(=O)c1sc2nc(C[N@@H+](C)CCOc3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC001307681732 1070122841 /nfs/dbraw/zinc/12/28/41/1070122841.db2.gz XHPVVPRNXMYVBZ-UHFFFAOYSA-N 1 2 455.458 3.609 20 0 JHADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1F ZINC001307686379 1070125608 /nfs/dbraw/zinc/12/56/08/1070125608.db2.gz KPSUQFGVEUNNBI-FXAWDEMLSA-N 1 2 451.583 3.759 20 0 JHADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1F ZINC001307686379 1070125615 /nfs/dbraw/zinc/12/56/15/1070125615.db2.gz KPSUQFGVEUNNBI-FXAWDEMLSA-N 1 2 451.583 3.759 20 0 JHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001307807615 1070192330 /nfs/dbraw/zinc/19/23/30/1070192330.db2.gz DOJNJJBMYSJUII-AWEZNQCLSA-N 1 2 453.299 3.580 20 0 JHADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001307807615 1070192335 /nfs/dbraw/zinc/19/23/35/1070192335.db2.gz DOJNJJBMYSJUII-AWEZNQCLSA-N 1 2 453.299 3.580 20 0 JHADLO CCC(CC)(CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001313066859 1070239018 /nfs/dbraw/zinc/23/90/18/1070239018.db2.gz BFRBTCFQPFRSTF-FQEVSTJZSA-N 1 2 450.599 3.734 20 0 JHADLO CCC(CC)(CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001313066859 1070239037 /nfs/dbraw/zinc/23/90/37/1070239037.db2.gz BFRBTCFQPFRSTF-FQEVSTJZSA-N 1 2 450.599 3.734 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001314399830 1070261234 /nfs/dbraw/zinc/26/12/34/1070261234.db2.gz GEIXJGXORKFGNK-UHFFFAOYSA-N 1 2 489.064 3.581 20 0 JHADLO CCOCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001314405981 1070268976 /nfs/dbraw/zinc/26/89/76/1070268976.db2.gz QAHXVGYQAHYFPF-VWLOTQADSA-N 1 2 452.603 3.749 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989619 1070272244 /nfs/dbraw/zinc/27/22/44/1070272244.db2.gz GROABNJQIORLHN-NZQKXSOJSA-N 1 2 457.521 3.781 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c2c[nH]c3ccccc32)cc1 ZINC001307989619 1070272250 /nfs/dbraw/zinc/27/22/50/1070272250.db2.gz GROABNJQIORLHN-NZQKXSOJSA-N 1 2 457.521 3.781 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313162640 1070274758 /nfs/dbraw/zinc/27/47/58/1070274758.db2.gz JCNVWQCYCRHHNK-UHFFFAOYSA-N 1 2 455.521 3.695 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)c1 ZINC001313165237 1070275805 /nfs/dbraw/zinc/27/58/05/1070275805.db2.gz SQZIYVDNYSSGHR-NRFANRHFSA-N 1 2 458.400 3.947 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)c1 ZINC001313165237 1070275821 /nfs/dbraw/zinc/27/58/21/1070275821.db2.gz SQZIYVDNYSSGHR-NRFANRHFSA-N 1 2 458.400 3.947 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001313165101 1070276330 /nfs/dbraw/zinc/27/63/30/1070276330.db2.gz PNTOVBVVCZJFCO-CALCHBBNSA-N 1 2 457.493 3.533 20 0 JHADLO Cc1cc(N2CCC[C@@H](N3CC[NH+](Cc4ccc(O)cc4)CC3)C2=O)ccc1Br ZINC001308016967 1070282297 /nfs/dbraw/zinc/28/22/97/1070282297.db2.gz SCRSAOYHZAGFLT-JOCHJYFZSA-N 1 2 458.400 3.776 20 0 JHADLO Cc1cc(N2CCC[C@H](N3CC[NH+](Cc4ccc(O)cc4)CC3)C2=O)ccc1Br ZINC001308016968 1070282607 /nfs/dbraw/zinc/28/26/07/1070282607.db2.gz SCRSAOYHZAGFLT-QFIPXVFZSA-N 1 2 458.400 3.776 20 0 JHADLO COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1nc(C[NH+]3CCC(C)CC3)cs1)CC2 ZINC001308050381 1070293178 /nfs/dbraw/zinc/29/31/78/1070293178.db2.gz PKOXSMGNDFWJCQ-QGZVFWFLSA-N 1 2 458.628 3.950 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314423961 1070300011 /nfs/dbraw/zinc/30/00/11/1070300011.db2.gz XFMRMMVAXLSDPY-PCCBWWKXSA-N 1 2 475.609 3.531 20 0 JHADLO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C2 ZINC001308076712 1070303918 /nfs/dbraw/zinc/30/39/18/1070303918.db2.gz BPOKRUJYTNPFDC-ALLJEULLSA-N 1 2 486.396 3.710 20 0 JHADLO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C2 ZINC001308076712 1070303934 /nfs/dbraw/zinc/30/39/34/1070303934.db2.gz BPOKRUJYTNPFDC-ALLJEULLSA-N 1 2 486.396 3.710 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001314428392 1070309172 /nfs/dbraw/zinc/30/91/72/1070309172.db2.gz BNWLIBOTMFOVGL-UXHICEINSA-N 1 2 475.609 3.531 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001314428392 1070309192 /nfs/dbraw/zinc/30/91/92/1070309192.db2.gz BNWLIBOTMFOVGL-UXHICEINSA-N 1 2 475.609 3.531 20 0 JHADLO CCOC[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314440835 1070329535 /nfs/dbraw/zinc/32/95/35/1070329535.db2.gz BQXAAHCPDPMTPW-ROUUACIJSA-N 1 2 498.455 3.747 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314440837 1070329644 /nfs/dbraw/zinc/32/96/44/1070329644.db2.gz BQXAAHCPDPMTPW-ZWKOTPCHSA-N 1 2 498.455 3.747 20 0 JHADLO Cc1cc(C)c2c(c1)CC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2 ZINC001308173878 1070335815 /nfs/dbraw/zinc/33/58/15/1070335815.db2.gz PEAZEKZZFSHUQT-UHFFFAOYSA-N 1 2 455.624 3.865 20 0 JHADLO Cc1cc(C)c2c(c1)CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2 ZINC001308173878 1070335833 /nfs/dbraw/zinc/33/58/33/1070335833.db2.gz PEAZEKZZFSHUQT-UHFFFAOYSA-N 1 2 455.624 3.865 20 0 JHADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cccc(O)c3Br)cc2)C1 ZINC001308207377 1070340569 /nfs/dbraw/zinc/34/05/69/1070340569.db2.gz MEPMDPDROZXTDV-OAHLLOKOSA-N 1 2 453.402 3.865 20 0 JHADLO CCOCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314449642 1070345014 /nfs/dbraw/zinc/34/50/14/1070345014.db2.gz VYPQPGCVHZLNBM-UHFFFAOYSA-N 1 2 491.640 3.988 20 0 JHADLO O=C1C[C@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC001308296155 1070352735 /nfs/dbraw/zinc/35/27/35/1070352735.db2.gz BFYOOJZYJTXYRZ-AWEZNQCLSA-N 1 2 453.827 3.974 20 0 JHADLO Brc1ccccc1-n1cc(CNC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nn1 ZINC001308370508 1070363019 /nfs/dbraw/zinc/36/30/19/1070363019.db2.gz MFLPBJWOHHMRHT-IBGZPJMESA-N 1 2 458.429 3.737 20 0 JHADLO Brc1ccccc1-n1cc(CNC[C@H]2CSCC[N@H+]2Cc2ccccc2)nn1 ZINC001308370508 1070363034 /nfs/dbraw/zinc/36/30/34/1070363034.db2.gz MFLPBJWOHHMRHT-IBGZPJMESA-N 1 2 458.429 3.737 20 0 JHADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1ccc(-c2cnn(C)c2)c(C)[nH+]1 ZINC001308414061 1070372440 /nfs/dbraw/zinc/37/24/40/1070372440.db2.gz JVAGREGDJBNLQD-AWEZNQCLSA-N 1 2 458.360 3.678 20 0 JHADLO CC(C)(C)OC(=O)NC1CC[NH+](CCNCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC001308519398 1070385167 /nfs/dbraw/zinc/38/51/67/1070385167.db2.gz TVJNACVRWOREED-UHFFFAOYSA-N 1 2 457.974 3.603 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)C1 ZINC001308588053 1070395850 /nfs/dbraw/zinc/39/58/50/1070395850.db2.gz YNKITOTZUQHCNX-IRLDBZIGSA-N 1 2 453.583 3.901 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)C1 ZINC001308588053 1070395866 /nfs/dbraw/zinc/39/58/66/1070395866.db2.gz YNKITOTZUQHCNX-IRLDBZIGSA-N 1 2 453.583 3.901 20 0 JHADLO CCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001314483783 1070396481 /nfs/dbraw/zinc/39/64/81/1070396481.db2.gz PJZDLTBHINEHGT-GOSISDBHSA-N 1 2 477.034 3.601 20 0 JHADLO CCOC(=O)Cn1cc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC001308632788 1070407580 /nfs/dbraw/zinc/40/75/80/1070407580.db2.gz SNAFKOHIPNHNQP-UHFFFAOYSA-N 1 2 452.599 3.728 20 0 JHADLO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001308753486 1070431017 /nfs/dbraw/zinc/43/10/17/1070431017.db2.gz SFKMKUNVJWGIIQ-QGZVFWFLSA-N 1 2 457.040 3.856 20 0 JHADLO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001308753486 1070431022 /nfs/dbraw/zinc/43/10/22/1070431022.db2.gz SFKMKUNVJWGIIQ-QGZVFWFLSA-N 1 2 457.040 3.856 20 0 JHADLO CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314502131 1070436795 /nfs/dbraw/zinc/43/67/95/1070436795.db2.gz VQUAXLFQNQDIIV-ZEQRLZLVSA-N 1 2 485.673 3.589 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001313471205 1070460214 /nfs/dbraw/zinc/46/02/14/1070460214.db2.gz YVAKSIKKGMQSLM-FQEVSTJZSA-N 1 2 476.616 3.899 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314513805 1070480690 /nfs/dbraw/zinc/48/06/90/1070480690.db2.gz FLBHIJMFXXMWLC-SJLPKXTDSA-N 1 2 453.678 3.560 20 0 JHADLO COCCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1C ZINC001309028321 1070494162 /nfs/dbraw/zinc/49/41/62/1070494162.db2.gz AVKGJAMMOKLLPK-UHFFFAOYSA-N 1 2 454.592 3.680 20 0 JHADLO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccccc12 ZINC001309035136 1070499064 /nfs/dbraw/zinc/49/90/64/1070499064.db2.gz VSKKSFXEANBDAF-UHFFFAOYSA-N 1 2 455.555 3.834 20 0 JHADLO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccccc12 ZINC001309035136 1070499074 /nfs/dbraw/zinc/49/90/74/1070499074.db2.gz VSKKSFXEANBDAF-UHFFFAOYSA-N 1 2 455.555 3.834 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314604241 1070659962 /nfs/dbraw/zinc/65/99/62/1070659962.db2.gz LWSODVKLMHQATB-IRLDBZIGSA-N 1 2 473.687 3.710 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314613838 1070681806 /nfs/dbraw/zinc/68/18/06/1070681806.db2.gz KMPSGCCEFCDWSF-UWHLTILDSA-N 1 2 467.724 3.885 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314613838 1070681810 /nfs/dbraw/zinc/68/18/10/1070681810.db2.gz KMPSGCCEFCDWSF-UWHLTILDSA-N 1 2 467.724 3.885 20 0 JHADLO O=S(=O)(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccc2c1OCCO2 ZINC001309343755 1070711521 /nfs/dbraw/zinc/71/15/21/1070711521.db2.gz JYTKXLYBIWVQAH-UHFFFAOYSA-N 1 2 457.379 3.708 20 0 JHADLO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)C(C)C ZINC001313619161 1070744354 /nfs/dbraw/zinc/74/43/54/1070744354.db2.gz YOXFGXVAQDZOMP-QFIPXVFZSA-N 1 2 496.681 3.886 20 0 JHADLO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1c(F)cccc1F ZINC001314650346 1070758657 /nfs/dbraw/zinc/75/86/57/1070758657.db2.gz HTCRMAQGODXIEP-HSALFYBXSA-N 1 2 474.600 3.695 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CCC(N)=O)CC2)c[nH+]1 ZINC001314660673 1070784498 /nfs/dbraw/zinc/78/44/98/1070784498.db2.gz HFEOERBWVPZZCT-UHFFFAOYSA-N 1 2 482.032 3.514 20 0 JHADLO CN(C)c1ccc(Cn2c(N3CCC(C(=O)Nc4ccccc4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001314658500 1070779418 /nfs/dbraw/zinc/77/94/18/1070779418.db2.gz BCNGRODSLNLWHU-UHFFFAOYSA-N 1 2 461.614 3.940 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)c[nH+]1 ZINC001314659672 1070782201 /nfs/dbraw/zinc/78/22/01/1070782201.db2.gz AIAIKYOXYFVRBE-LJQANCHMSA-N 1 2 469.634 3.891 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC001313647718 1070812399 /nfs/dbraw/zinc/81/23/99/1070812399.db2.gz QPJGYYMNLRSXPN-DEOSSOPVSA-N 1 2 496.700 3.802 20 0 JHADLO CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)nc2F)[NH+](C)C)cc1 ZINC001309560435 1070857733 /nfs/dbraw/zinc/85/77/33/1070857733.db2.gz YXZREFPMNQTLAO-INIZCTEOSA-N 1 2 458.397 3.763 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1OCCC1(C)C ZINC001314712257 1070896248 /nfs/dbraw/zinc/89/62/48/1070896248.db2.gz JIFONPBVLOKHIS-UYAOXDASSA-N 1 2 461.676 3.962 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1 ZINC001314712609 1070897745 /nfs/dbraw/zinc/89/77/45/1070897745.db2.gz RXEJFLVEVGOKNW-YADARESESA-N 1 2 461.676 3.599 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](CC(C)C)C2)c[nH+]1 ZINC001313675986 1070918874 /nfs/dbraw/zinc/91/88/74/1070918874.db2.gz SKAWLSODAVUOJP-FQEVSTJZSA-N 1 2 453.635 3.676 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCCN(C(=O)C(C)C)CC2)c[nH+]1 ZINC001313679118 1070933738 /nfs/dbraw/zinc/93/37/38/1070933738.db2.gz JPPCEHGOUISOEQ-UHFFFAOYSA-N 1 2 495.697 3.915 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)c[nH+]1 ZINC001313678396 1070929494 /nfs/dbraw/zinc/92/94/94/1070929494.db2.gz CWOKXWHYOXAFDG-UHFFFAOYSA-N 1 2 452.578 3.913 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c[nH+]1 ZINC001313679055 1070933211 /nfs/dbraw/zinc/93/32/11/1070933211.db2.gz GXXRYAXBZJPMTG-IFMALSPDSA-N 1 2 483.661 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313681491 1070940413 /nfs/dbraw/zinc/94/04/13/1070940413.db2.gz TVWQASZYFMHEKI-HXUWFJFHSA-N 1 2 469.634 3.939 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)c[nH+]1 ZINC001313679664 1070936295 /nfs/dbraw/zinc/93/62/95/1070936295.db2.gz PMAJIAZNFXMIKY-IBGZPJMESA-N 1 2 452.578 3.913 20 0 JHADLO CCC1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001309747044 1070951061 /nfs/dbraw/zinc/95/10/61/1070951061.db2.gz SRJFNQXOZXHDDD-UHFFFAOYSA-N 1 2 457.640 3.750 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313694828 1070957898 /nfs/dbraw/zinc/95/78/98/1070957898.db2.gz CKNMWRAMOWJFKL-WAOWUJCRSA-N 1 2 456.639 3.544 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313694828 1070957910 /nfs/dbraw/zinc/95/79/10/1070957910.db2.gz CKNMWRAMOWJFKL-WAOWUJCRSA-N 1 2 456.639 3.544 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001309848899 1070995229 /nfs/dbraw/zinc/99/52/29/1070995229.db2.gz DYBQLUMLZLIMTD-IAGOWNOFSA-N 1 2 450.429 3.629 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001309848899 1070995232 /nfs/dbraw/zinc/99/52/32/1070995232.db2.gz DYBQLUMLZLIMTD-IAGOWNOFSA-N 1 2 450.429 3.629 20 0 JHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033769 1071073284 /nfs/dbraw/zinc/07/32/84/1071073284.db2.gz GDNRXGJLQLBJKI-NQIIRXRSSA-N 1 2 455.628 3.730 20 0 JHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033769 1071073300 /nfs/dbraw/zinc/07/33/00/1071073300.db2.gz GDNRXGJLQLBJKI-NQIIRXRSSA-N 1 2 455.628 3.730 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(C(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001313752290 1071088498 /nfs/dbraw/zinc/08/84/98/1071088498.db2.gz LRCAJLGPMLVNGN-QHCPKHFHSA-N 1 2 451.619 3.543 20 0 JHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC001310078574 1071103242 /nfs/dbraw/zinc/10/32/42/1071103242.db2.gz PELHCMWYJDYWBX-MRXNPFEDSA-N 1 2 451.493 3.762 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313773911 1071127912 /nfs/dbraw/zinc/12/79/12/1071127912.db2.gz YDLKDQNFPNJWAL-GOTSBHOMSA-N 1 2 455.647 3.963 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1 ZINC001313778167 1071138635 /nfs/dbraw/zinc/13/86/35/1071138635.db2.gz FDDQBEPMOGYSNB-UHFFFAOYSA-N 1 2 491.640 3.611 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1C[C@H]1CCOC[C@H]1OC ZINC001313779221 1071141632 /nfs/dbraw/zinc/14/16/32/1071141632.db2.gz MVKLKXLLJHTVPK-FGZHOGPDSA-N 1 2 456.635 3.591 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313782593 1071148632 /nfs/dbraw/zinc/14/86/32/1071148632.db2.gz JGHDUAIFAGZLPH-PKOBYXMFSA-N 1 2 498.455 3.890 20 0 JHADLO C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140805 1071149423 /nfs/dbraw/zinc/14/94/23/1071149423.db2.gz WLQAHNFIXQAKTE-GUDVDZBRSA-N 1 2 459.612 3.625 20 0 JHADLO CCN(C[C@H]1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313787225 1071167550 /nfs/dbraw/zinc/16/75/50/1071167550.db2.gz MSFJHIHWUOKDFR-FYYLOGMGSA-N 1 2 494.606 3.679 20 0 JHADLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2Cl)n1 ZINC001310231077 1071224161 /nfs/dbraw/zinc/22/41/61/1071224161.db2.gz VFEVIOFFGLGBRH-RDJZCZTQSA-N 1 2 455.950 3.686 20 0 JHADLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)n1 ZINC001310231075 1071224273 /nfs/dbraw/zinc/22/42/73/1071224273.db2.gz VFEVIOFFGLGBRH-NVXWUHKLSA-N 1 2 455.950 3.686 20 0 JHADLO COc1ccc(C2=NO[C@@H](CNC(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)C2)cc1C ZINC001310289442 1071273439 /nfs/dbraw/zinc/27/34/39/1071273439.db2.gz CIXRFEYIQQICSH-XMSQKQJNSA-N 1 2 452.555 3.712 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1C[C@H](F)C1 ZINC001314869682 1071279330 /nfs/dbraw/zinc/27/93/30/1071279330.db2.gz DVEZLTGWDARTCH-RUCARUNLSA-N 1 2 466.399 3.614 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001314870115 1071279986 /nfs/dbraw/zinc/27/99/86/1071279986.db2.gz NKPMBIYMOLWDHT-INIZCTEOSA-N 1 2 484.389 3.911 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](F)C1 ZINC001314871187 1071283358 /nfs/dbraw/zinc/28/33/58/1071283358.db2.gz ZPAXAZVSLCLCQH-JKSUJKDBSA-N 1 2 484.389 3.753 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](F)C1 ZINC001314871184 1071283404 /nfs/dbraw/zinc/28/34/04/1071283404.db2.gz ZPAXAZVSLCLCQH-CVEARBPZSA-N 1 2 484.389 3.753 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001314874127 1071291666 /nfs/dbraw/zinc/29/16/66/1071291666.db2.gz NIKXYLKIIZCLDS-UHFFFAOYSA-N 1 2 495.571 3.688 20 0 JHADLO CN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001314893088 1071323510 /nfs/dbraw/zinc/32/35/10/1071323510.db2.gz NXZBQCHERIHGSA-QGZVFWFLSA-N 1 2 474.407 3.559 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371031 1071347393 /nfs/dbraw/zinc/34/73/93/1071347393.db2.gz IXXNROUPPBCBTR-FZEVHQGJSA-N 1 2 455.502 3.645 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371031 1071347405 /nfs/dbraw/zinc/34/74/05/1071347405.db2.gz IXXNROUPPBCBTR-FZEVHQGJSA-N 1 2 455.502 3.645 20 0 JHADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001310379017 1071353516 /nfs/dbraw/zinc/35/35/16/1071353516.db2.gz QQVRFKALQDFIFF-SFHVURJKSA-N 1 2 454.571 3.706 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)Nc1ccc(F)nc1 ZINC001310407378 1071371982 /nfs/dbraw/zinc/37/19/82/1071371982.db2.gz OLSMAJKAJJDLDW-MRXNPFEDSA-N 1 2 454.287 3.611 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)Nc1ccc(F)nc1 ZINC001310407378 1071371992 /nfs/dbraw/zinc/37/19/92/1071371992.db2.gz OLSMAJKAJJDLDW-MRXNPFEDSA-N 1 2 454.287 3.611 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314945241 1071402113 /nfs/dbraw/zinc/40/21/13/1071402113.db2.gz IKMAKYRJRYDRRA-HXUWFJFHSA-N 1 2 491.640 3.596 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC001310480710 1071422359 /nfs/dbraw/zinc/42/23/59/1071422359.db2.gz QQKYORQVFVPBDV-HXUWFJFHSA-N 1 2 452.525 3.983 20 0 JHADLO C[N@@H+]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001310487232 1071426741 /nfs/dbraw/zinc/42/67/41/1071426741.db2.gz YZHQNCXXDZRWMG-OAQYLSRUSA-N 1 2 454.571 3.938 20 0 JHADLO C[N@H+]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001310487232 1071426745 /nfs/dbraw/zinc/42/67/45/1071426745.db2.gz YZHQNCXXDZRWMG-OAQYLSRUSA-N 1 2 454.571 3.938 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314956571 1071430671 /nfs/dbraw/zinc/43/06/71/1071430671.db2.gz AVVRGCQETQTEIY-FQEVSTJZSA-N 1 2 493.631 3.506 20 0 JHADLO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001314990792 1071506210 /nfs/dbraw/zinc/50/62/10/1071506210.db2.gz UTKRSEPGOVDYFE-GOSISDBHSA-N 1 2 498.429 3.567 20 0 JHADLO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNc2cccc[nH+]2)CC1 ZINC001314999156 1071519745 /nfs/dbraw/zinc/51/97/45/1071519745.db2.gz XVBWSNKMUQUHQP-OAQYLSRUSA-N 1 2 491.640 3.895 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927800 1071581959 /nfs/dbraw/zinc/58/19/59/1071581959.db2.gz NKQPVTNGAYJNGG-DHIUTWEWSA-N 1 2 484.689 3.540 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928249 1071583041 /nfs/dbraw/zinc/58/30/41/1071583041.db2.gz SYYLXJGZEDUILL-NEKDWFFYSA-N 1 2 498.716 3.833 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929086 1071585925 /nfs/dbraw/zinc/58/59/25/1071585925.db2.gz XLLVMFWZFTUHND-QHCPKHFHSA-N 1 2 477.657 3.531 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314037577 1071830711 /nfs/dbraw/zinc/83/07/11/1071830711.db2.gz MOFPPTUNMBWLQI-ZEQRLZLVSA-N 1 2 498.672 3.573 20 0 JHADLO CCO[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC001314064445 1071908478 /nfs/dbraw/zinc/90/84/78/1071908478.db2.gz XBBNYRQPELNPHE-FQEVSTJZSA-N 1 2 453.591 3.723 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314139381 1072052491 /nfs/dbraw/zinc/05/24/91/1072052491.db2.gz HLEBKGORDBQXCI-FTJBHMTQSA-N 1 2 471.646 3.908 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314140434 1072053572 /nfs/dbraw/zinc/05/35/72/1072053572.db2.gz LDIOHRPYWBXWCL-BWKNWUBXSA-N 1 2 457.619 3.518 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC001305922884 1068218650 /nfs/dbraw/zinc/21/86/50/1068218650.db2.gz AEPOMCACUUJNON-UHFFFAOYSA-N 1 2 475.641 3.904 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2Cc2ccc(C)s2)cc1 ZINC001305943364 1068255458 /nfs/dbraw/zinc/25/54/58/1068255458.db2.gz BHBBVKRPPPZRJW-UHFFFAOYSA-N 1 2 480.682 3.916 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCC[C@H]2CC)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305984405 1068332047 /nfs/dbraw/zinc/33/20/47/1068332047.db2.gz FRXNJWSLRLOGQU-JOCHJYFZSA-N 1 2 454.663 3.824 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCC[C@H]2CC)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305984405 1068332069 /nfs/dbraw/zinc/33/20/69/1068332069.db2.gz FRXNJWSLRLOGQU-JOCHJYFZSA-N 1 2 454.663 3.824 20 0 JHADLO CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC[NH+]2CCOCC2)o1 ZINC001306006504 1068385547 /nfs/dbraw/zinc/38/55/47/1068385547.db2.gz WHUUXCHKXVSWLX-UHFFFAOYSA-N 1 2 479.412 3.927 20 0 JHADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCOc1ccc(C)cc1 ZINC001306074116 1068507345 /nfs/dbraw/zinc/50/73/45/1068507345.db2.gz HISDGEWSOXSLHP-NRFANRHFSA-N 1 2 455.628 3.799 20 0 JHADLO CCc1nnc(N(C)CCOc2ccc(OC)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306091058 1068515186 /nfs/dbraw/zinc/51/51/86/1068515186.db2.gz LZVHKISDRAVURM-UHFFFAOYSA-N 1 2 450.587 3.798 20 0 JHADLO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001306144923 1068547532 /nfs/dbraw/zinc/54/75/32/1068547532.db2.gz TYWSWFJSCRBCFB-YJBOKZPZSA-N 1 2 464.561 3.525 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306168542 1068564426 /nfs/dbraw/zinc/56/44/26/1068564426.db2.gz XFFMVDPLEBCOHH-OAQYLSRUSA-N 1 2 475.641 3.776 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001306279750 1068694812 /nfs/dbraw/zinc/69/48/12/1068694812.db2.gz POFXKJXULQBMPH-FDFHNCONSA-N 1 2 470.662 3.517 20 0 JHADLO CC[C@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001306306971 1068725471 /nfs/dbraw/zinc/72/54/71/1068725471.db2.gz MPGMVOQTFUUARD-VXKWHMMOSA-N 1 2 498.672 3.582 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001306334385 1068771570 /nfs/dbraw/zinc/77/15/70/1068771570.db2.gz BVHYCLZJRYGVDP-VSKRKVRLSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001306334385 1068771579 /nfs/dbraw/zinc/77/15/79/1068771579.db2.gz BVHYCLZJRYGVDP-VSKRKVRLSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306341796 1068778474 /nfs/dbraw/zinc/77/84/74/1068778474.db2.gz SNBAEXSCSLNFKX-FGZHOGPDSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001306417426 1068907227 /nfs/dbraw/zinc/90/72/27/1068907227.db2.gz WITNFOGABBRPEK-IBGZPJMESA-N 1 2 468.627 3.803 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306465455 1069003832 /nfs/dbraw/zinc/00/38/32/1069003832.db2.gz OLVCSKAZPRUNAD-CNXHMKESSA-N 1 2 466.674 3.705 20 0 JHADLO CC/C=C\Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306477912 1069018299 /nfs/dbraw/zinc/01/82/99/1069018299.db2.gz JMQMHBKGRIKXPW-GEPASTNRSA-N 1 2 497.644 3.576 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001310676542 1069103798 /nfs/dbraw/zinc/10/37/98/1069103798.db2.gz MPDGPZFKMXSDJM-AEFFLSMTSA-N 1 2 458.868 3.956 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001310676542 1069103804 /nfs/dbraw/zinc/10/38/04/1069103804.db2.gz MPDGPZFKMXSDJM-AEFFLSMTSA-N 1 2 458.868 3.956 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001310676543 1069103928 /nfs/dbraw/zinc/10/39/28/1069103928.db2.gz MPDGPZFKMXSDJM-FUHWJXTLSA-N 1 2 458.868 3.956 20 0 JHADLO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001310676543 1069103934 /nfs/dbraw/zinc/10/39/34/1069103934.db2.gz MPDGPZFKMXSDJM-FUHWJXTLSA-N 1 2 458.868 3.956 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001306518489 1069133138 /nfs/dbraw/zinc/13/31/38/1069133138.db2.gz NBDMNJFXUJGICP-PXNSSMCTSA-N 1 2 462.589 3.554 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(OC)c1F ZINC001310754608 1069151872 /nfs/dbraw/zinc/15/18/72/1069151872.db2.gz YYCHRBAVDIUKIJ-AEFFLSMTSA-N 1 2 455.889 3.829 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(OC)c1F ZINC001310754608 1069151876 /nfs/dbraw/zinc/15/18/76/1069151876.db2.gz YYCHRBAVDIUKIJ-AEFFLSMTSA-N 1 2 455.889 3.829 20 0 JHADLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1S(=O)(=O)Nc1ccccc1 ZINC001310801960 1069169877 /nfs/dbraw/zinc/16/98/77/1069169877.db2.gz TURMYOSSFZIMBN-FQEVSTJZSA-N 1 2 451.552 3.591 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306562720 1069231433 /nfs/dbraw/zinc/23/14/33/1069231433.db2.gz AZXATIWMASBIAF-ACRUOGEOSA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306562720 1069231442 /nfs/dbraw/zinc/23/14/42/1069231442.db2.gz AZXATIWMASBIAF-ACRUOGEOSA-N 1 2 478.682 3.943 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1 ZINC001311217473 1069300116 /nfs/dbraw/zinc/30/01/16/1069300116.db2.gz QDRLMESPGWJYIO-FQEVSTJZSA-N 1 2 450.583 3.814 20 0 JHADLO O=C(Nc1ccc(C(F)(F)F)c(I)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001311220327 1069301327 /nfs/dbraw/zinc/30/13/27/1069301327.db2.gz WJNFUHGTLRGFBC-SNVBAGLBSA-N 1 2 450.202 3.643 20 0 JHADLO FC(F)(Oc1cnc(Cl)cn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421757 718891230 /nfs/dbraw/zinc/89/12/30/718891230.db2.gz XWLOUXKOQXAJLS-NSHDSACASA-N 1 2 460.666 3.543 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC(F)(F)[C@H]4C3)c2c1C ZINC001164424116 718929695 /nfs/dbraw/zinc/92/96/95/718929695.db2.gz LJULYAFVTAYHJY-LSDHHAIUSA-N 1 2 466.554 3.633 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164663900 719346672 /nfs/dbraw/zinc/34/66/72/719346672.db2.gz OLOKXMWSLAHHSR-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164663900 719346674 /nfs/dbraw/zinc/34/66/74/719346674.db2.gz OLOKXMWSLAHHSR-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(SC)n1)CC2 ZINC001164664467 719350531 /nfs/dbraw/zinc/35/05/31/719350531.db2.gz USYAOQTVXILIEF-UHFFFAOYSA-N 1 2 450.612 3.902 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(SC)n1)CC2 ZINC001164664467 719350534 /nfs/dbraw/zinc/35/05/34/719350534.db2.gz USYAOQTVXILIEF-UHFFFAOYSA-N 1 2 450.612 3.902 20 0 JHADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164660704 719351031 /nfs/dbraw/zinc/35/10/31/719351031.db2.gz XOLIBMZHMQXTNA-UHFFFAOYSA-N 1 2 475.593 3.962 20 0 JHADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164660704 719351034 /nfs/dbraw/zinc/35/10/34/719351034.db2.gz XOLIBMZHMQXTNA-UHFFFAOYSA-N 1 2 475.593 3.962 20 0 JHADLO CCOC[C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2nn(CC3CC3)cc21 ZINC001164663997 719362777 /nfs/dbraw/zinc/36/27/77/719362777.db2.gz NIMXTOWEWLBNQW-JOCHJYFZSA-N 1 2 458.610 3.782 20 0 JHADLO CCOC[C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2nn(CC3CC3)cc21 ZINC001164663997 719362781 /nfs/dbraw/zinc/36/27/81/719362781.db2.gz NIMXTOWEWLBNQW-JOCHJYFZSA-N 1 2 458.610 3.782 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC001164698055 719847860 /nfs/dbraw/zinc/84/78/60/719847860.db2.gz DQXDXSRLLXGSEB-QGHHPUGFSA-N 1 2 457.185 3.928 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164707828 719873871 /nfs/dbraw/zinc/87/38/71/719873871.db2.gz VTAGKDHIRBAPJY-FQRUVTKNSA-N 1 2 485.028 3.909 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164707827 719874003 /nfs/dbraw/zinc/87/40/03/719874003.db2.gz VTAGKDHIRBAPJY-FNZWTVRRSA-N 1 2 485.028 3.909 20 0 JHADLO Cc1ccc(-c2nnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c3ccccc32)cc1C ZINC001164708584 719921918 /nfs/dbraw/zinc/92/19/18/719921918.db2.gz LVESEJPIBQIAKJ-UHFFFAOYSA-N 1 2 495.631 3.597 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C2)C1 ZINC001164723301 720282852 /nfs/dbraw/zinc/28/28/52/720282852.db2.gz WLFBLHVRHNRJHG-AREMUKBSSA-N 1 2 480.012 3.615 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C2)C1 ZINC001164723301 720282862 /nfs/dbraw/zinc/28/28/62/720282862.db2.gz WLFBLHVRHNRJHG-AREMUKBSSA-N 1 2 480.012 3.615 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164722360 720312726 /nfs/dbraw/zinc/31/27/26/720312726.db2.gz KQYYBCCVNDHNBT-INIZCTEOSA-N 1 2 466.895 3.985 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164721342 720316571 /nfs/dbraw/zinc/31/65/71/720316571.db2.gz GISZSPJDDKGLNC-QGZVFWFLSA-N 1 2 475.931 3.754 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824770 720366590 /nfs/dbraw/zinc/36/65/90/720366590.db2.gz KMEPYDUGXKRTCN-UHFFFAOYSA-N 1 2 492.983 3.640 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824770 720366595 /nfs/dbraw/zinc/36/65/95/720366595.db2.gz KMEPYDUGXKRTCN-UHFFFAOYSA-N 1 2 492.983 3.640 20 0 JHADLO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821002 720369545 /nfs/dbraw/zinc/36/95/45/720369545.db2.gz VHEIWLIZBUNBBP-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821002 720369551 /nfs/dbraw/zinc/36/95/51/720369551.db2.gz VHEIWLIZBUNBBP-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5ccsc5)n4)CC3)C2=O)cs1 ZINC001164824294 720381380 /nfs/dbraw/zinc/38/13/80/720381380.db2.gz QTKJIQPKCMNSNC-UHFFFAOYSA-N 1 2 468.652 3.592 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5ccsc5)n4)CC3)C2=O)cs1 ZINC001164824294 720381389 /nfs/dbraw/zinc/38/13/89/720381389.db2.gz QTKJIQPKCMNSNC-UHFFFAOYSA-N 1 2 468.652 3.592 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(CC(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164820786 720383691 /nfs/dbraw/zinc/38/36/91/720383691.db2.gz CIYLFEWUKQPWHW-UHFFFAOYSA-N 1 2 477.078 3.715 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(CC(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164820786 720383696 /nfs/dbraw/zinc/38/36/96/720383696.db2.gz CIYLFEWUKQPWHW-UHFFFAOYSA-N 1 2 477.078 3.715 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(-c5ccccc5F)cc4C)CC3)C2=O)cs1 ZINC001164826822 720383968 /nfs/dbraw/zinc/38/39/68/720383968.db2.gz XQKYYGBBUMFORQ-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(-c5ccccc5F)cc4C)CC3)C2=O)cs1 ZINC001164826822 720383979 /nfs/dbraw/zinc/38/39/79/720383979.db2.gz XQKYYGBBUMFORQ-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(-c5cccc(F)c5)cc4C)CC3)C2=O)cs1 ZINC001164822943 720384829 /nfs/dbraw/zinc/38/48/29/720384829.db2.gz NPPXLFJTIDDUHA-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(-c5cccc(F)c5)cc4C)CC3)C2=O)cs1 ZINC001164822943 720384838 /nfs/dbraw/zinc/38/48/38/720384838.db2.gz NPPXLFJTIDDUHA-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO Cc1ccc(-c2nc3ccccc3c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n2)cc1 ZINC001164828869 720460285 /nfs/dbraw/zinc/46/02/85/720460285.db2.gz BNQFWYMQPAGBHO-QHCPKHFHSA-N 1 2 498.631 3.791 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccc3ccc(Cl)nc31)C2 ZINC001164834138 720480524 /nfs/dbraw/zinc/48/05/24/720480524.db2.gz RXLLUJFZDFGTLV-QGZVFWFLSA-N 1 2 476.408 3.728 20 0 JHADLO Cc1ccc(-c2cc(C(F)(F)N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)c(Cl)nn2)cc1 ZINC001164858625 720896872 /nfs/dbraw/zinc/89/68/72/720896872.db2.gz MOGCHGHMMARBCT-UHFFFAOYSA-N 1 2 497.937 3.862 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760862 721026916 /nfs/dbraw/zinc/02/69/16/721026916.db2.gz QBKDBAIMHIOKLK-RBJSKKJNSA-N 1 2 471.605 3.775 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760862 721026924 /nfs/dbraw/zinc/02/69/24/721026924.db2.gz QBKDBAIMHIOKLK-RBJSKKJNSA-N 1 2 471.605 3.775 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001165008613 721710328 /nfs/dbraw/zinc/71/03/28/721710328.db2.gz INWMZVHXSBFOQU-UHFFFAOYSA-N 1 2 451.909 3.550 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001165008613 721710336 /nfs/dbraw/zinc/71/03/36/721710336.db2.gz INWMZVHXSBFOQU-UHFFFAOYSA-N 1 2 451.909 3.550 20 0 JHADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916289 721790687 /nfs/dbraw/zinc/79/06/87/721790687.db2.gz PKIFBRAZDALHFX-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916289 721790688 /nfs/dbraw/zinc/79/06/88/721790688.db2.gz PKIFBRAZDALHFX-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO Clc1ccc(-c2nc3c(c(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)n2)CCC3)s1 ZINC001164915021 721797521 /nfs/dbraw/zinc/79/75/21/721797521.db2.gz UBTYVCFGVJCOQC-VWLOTQADSA-N 1 2 498.052 3.850 20 0 JHADLO Clc1ccc(-c2nc3c(c(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)n2)CCC3)s1 ZINC001164915021 721797522 /nfs/dbraw/zinc/79/75/22/721797522.db2.gz UBTYVCFGVJCOQC-VWLOTQADSA-N 1 2 498.052 3.850 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164945073 721972427 /nfs/dbraw/zinc/97/24/27/721972427.db2.gz OHUQRSODSLSGIX-UHFFFAOYSA-N 1 2 461.997 3.692 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164945073 721972429 /nfs/dbraw/zinc/97/24/29/721972429.db2.gz OHUQRSODSLSGIX-UHFFFAOYSA-N 1 2 461.997 3.692 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCc5onc(COc6ccccn6)c5C4)c3C2)cc1 ZINC001164970004 722082808 /nfs/dbraw/zinc/08/28/08/722082808.db2.gz SWBOHJDRGKDWHE-UHFFFAOYSA-N 1 2 454.534 3.560 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCc5onc(COc6ccccn6)c5C4)c3C2)cc1 ZINC001164970004 722082809 /nfs/dbraw/zinc/08/28/09/722082809.db2.gz SWBOHJDRGKDWHE-UHFFFAOYSA-N 1 2 454.534 3.560 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccccc3CC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001306631272 1069331623 /nfs/dbraw/zinc/33/16/23/1069331623.db2.gz FKDAIJPGILBSGS-NRFANRHFSA-N 1 2 451.571 3.877 20 0 JHADLO CCCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306645992 1069357840 /nfs/dbraw/zinc/35/78/40/1069357840.db2.gz MMBVZMPGGFXTJZ-HSZRJFAPSA-N 1 2 454.663 3.675 20 0 JHADLO Cc1cccc([C@H](CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)N2CCOCC2)c1 ZINC001311392733 1069359161 /nfs/dbraw/zinc/35/91/61/1069359161.db2.gz WUHFDEOANYBGKP-QHCPKHFHSA-N 1 2 453.974 3.707 20 0 JHADLO CCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306657738 1069372224 /nfs/dbraw/zinc/37/22/24/1069372224.db2.gz SQUBDPOTZLBMSM-BGYRXZFFSA-N 1 2 469.634 3.961 20 0 JHADLO CCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001306707955 1069441977 /nfs/dbraw/zinc/44/19/77/1069441977.db2.gz HZHFBFKJORJOMN-LJQANCHMSA-N 1 2 459.038 3.922 20 0 JHADLO CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306704025 1069439762 /nfs/dbraw/zinc/43/97/62/1069439762.db2.gz RPUBZMDIFVTFEU-MRXNPFEDSA-N 1 2 495.491 3.702 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C3CCCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306735127 1069499461 /nfs/dbraw/zinc/49/94/61/1069499461.db2.gz WMRPVANGJICUEH-QUCCMNQESA-N 1 2 454.619 3.909 20 0 JHADLO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC001311714189 1069515505 /nfs/dbraw/zinc/51/55/05/1069515505.db2.gz IZFCZJHVPDQOET-HXUWFJFHSA-N 1 2 459.635 3.831 20 0 JHADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001311763887 1069537722 /nfs/dbraw/zinc/53/77/22/1069537722.db2.gz BQPVUPNNICSPMU-UHFFFAOYSA-N 1 2 454.372 3.662 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759842 1069535400 /nfs/dbraw/zinc/53/54/00/1069535400.db2.gz LDAXAVCPKLEHPM-RDGATRHJSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759842 1069535406 /nfs/dbraw/zinc/53/54/06/1069535406.db2.gz LDAXAVCPKLEHPM-RDGATRHJSA-N 1 2 458.002 3.539 20 0 JHADLO O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311794588 1069548161 /nfs/dbraw/zinc/54/81/61/1069548161.db2.gz MNAANVMDYKAEGY-DHIUTWEWSA-N 1 2 453.974 3.651 20 0 JHADLO CCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306777777 1069573800 /nfs/dbraw/zinc/57/38/00/1069573800.db2.gz WXBNFLJLSMFDID-LJQANCHMSA-N 1 2 450.591 3.512 20 0 JHADLO CCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306777777 1069573810 /nfs/dbraw/zinc/57/38/10/1069573810.db2.gz WXBNFLJLSMFDID-LJQANCHMSA-N 1 2 450.591 3.512 20 0 JHADLO C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC001311912568 1069610356 /nfs/dbraw/zinc/61/03/56/1069610356.db2.gz FBMTZZXWEYBLKL-RTBURBONSA-N 1 2 451.571 3.508 20 0 JHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001311953630 1069632529 /nfs/dbraw/zinc/63/25/29/1069632529.db2.gz MIMXGBJFDJVJBB-AEFFLSMTSA-N 1 2 451.892 3.788 20 0 JHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001311953630 1069632530 /nfs/dbraw/zinc/63/25/30/1069632530.db2.gz MIMXGBJFDJVJBB-AEFFLSMTSA-N 1 2 451.892 3.788 20 0 JHADLO COC(=O)c1cc(CN(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)oc1C ZINC001311954787 1069633921 /nfs/dbraw/zinc/63/39/21/1069633921.db2.gz RUPHQBVABXDLFG-KRWDZBQOSA-N 1 2 451.926 3.973 20 0 JHADLO COC(=O)c1cc(CN(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)oc1C ZINC001311954787 1069633923 /nfs/dbraw/zinc/63/39/23/1069633923.db2.gz RUPHQBVABXDLFG-KRWDZBQOSA-N 1 2 451.926 3.973 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001311958922 1069636662 /nfs/dbraw/zinc/63/66/62/1069636662.db2.gz MZDZIWRLJOIMRG-QPPBQGQZSA-N 1 2 454.590 3.727 20 0 JHADLO CCCN(CCC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCOCC2)CC1 ZINC001306815551 1069637533 /nfs/dbraw/zinc/63/75/33/1069637533.db2.gz KUDBXQSBVBVTAD-UHFFFAOYSA-N 1 2 451.413 3.527 20 0 JHADLO CCOc1cc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)ccc1OC ZINC001314160257 1069642860 /nfs/dbraw/zinc/64/28/60/1069642860.db2.gz MSXBQCHLAYRVFI-UHFFFAOYSA-N 1 2 470.643 3.944 20 0 JHADLO Cc1cccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492479326 1069662385 /nfs/dbraw/zinc/66/23/85/1069662385.db2.gz FBOIMOGMCBJYFL-BJKOFHAPSA-N 1 2 485.673 3.805 20 0 JHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1 ZINC001312014899 1069670860 /nfs/dbraw/zinc/67/08/60/1069670860.db2.gz YADFGCNIVOZNAR-DEOSSOPVSA-N 1 2 452.574 3.927 20 0 JHADLO COc1ccccc1[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001312044044 1069689779 /nfs/dbraw/zinc/68/97/79/1069689779.db2.gz ARJOVUTVAMIPSM-ZEQRLZLVSA-N 1 2 451.611 3.918 20 0 JHADLO CCCN(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001307007952 1069703321 /nfs/dbraw/zinc/70/33/21/1069703321.db2.gz ALDMLEKNQOOAND-OAQYLSRUSA-N 1 2 499.660 3.541 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)cc1OC ZINC001314179040 1069718288 /nfs/dbraw/zinc/71/82/88/1069718288.db2.gz QITCQKYLYSAKSX-KNQAVFIVSA-N 1 2 494.640 3.849 20 0 JHADLO CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC001314188761 1069745551 /nfs/dbraw/zinc/74/55/51/1069745551.db2.gz BSOJCUBTRNVVLO-UHFFFAOYSA-N 1 2 452.603 3.932 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC001312179312 1069768386 /nfs/dbraw/zinc/76/83/86/1069768386.db2.gz QCBCEOJTXHQQKH-UHFFFAOYSA-N 1 2 457.575 3.503 20 0 JHADLO COCCCOc1cc(C)ccc1CNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001312232975 1069797196 /nfs/dbraw/zinc/79/71/96/1069797196.db2.gz PLJPHPIEZMSOSM-UHFFFAOYSA-N 1 2 455.599 3.755 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314215375 1069847110 /nfs/dbraw/zinc/84/71/10/1069847110.db2.gz FDJNTZUTTYDYIB-LJQANCHMSA-N 1 2 480.613 3.769 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314221008 1069869918 /nfs/dbraw/zinc/86/99/18/1069869918.db2.gz ANYUYZYOWARVFI-CVDCTZTESA-N 1 2 480.613 3.626 20 0 JHADLO CCC[C@@H]1CN(c2nc(C(F)(F)F)ccc2I)CC[N@@H+]1CCOC ZINC001307073976 1069886658 /nfs/dbraw/zinc/88/66/58/1069886658.db2.gz ZUUMDLBCLRSLLU-GFCCVEGCSA-N 1 2 457.278 3.642 20 0 JHADLO CCC[C@@H]1CN(c2nc(C(F)(F)F)ccc2I)CC[N@H+]1CCOC ZINC001307073976 1069886673 /nfs/dbraw/zinc/88/66/73/1069886673.db2.gz ZUUMDLBCLRSLLU-GFCCVEGCSA-N 1 2 457.278 3.642 20 0 JHADLO COc1ccc([C@@H](CO)CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)cc1 ZINC001307138247 1069899988 /nfs/dbraw/zinc/89/99/88/1069899988.db2.gz YMLDVFMXBSKZDV-OAHLLOKOSA-N 1 2 454.328 3.775 20 0 JHADLO O=C(NCc1cc(OCC(F)F)ccn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312390304 1069902724 /nfs/dbraw/zinc/90/27/24/1069902724.db2.gz OBEYFOHNWZLVEF-UHFFFAOYSA-N 1 2 458.431 3.772 20 0 JHADLO C[C@](CO)(c1ccc(Br)cc1)[NH+]1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC001307230054 1069909448 /nfs/dbraw/zinc/90/94/48/1069909448.db2.gz IQFMWSHNGMKPQX-QHCPKHFHSA-N 1 2 453.384 3.936 20 0 JHADLO C[C@H]1COCC[N@@H+]1CCSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001307288202 1069928785 /nfs/dbraw/zinc/92/87/85/1069928785.db2.gz GCUXZCBROJZVRI-SFHVURJKSA-N 1 2 454.571 3.754 20 0 JHADLO C[C@H]1COCC[N@H+]1CCSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001307288202 1069928797 /nfs/dbraw/zinc/92/87/97/1069928797.db2.gz GCUXZCBROJZVRI-SFHVURJKSA-N 1 2 454.571 3.754 20 0 JHADLO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433861 1069934006 /nfs/dbraw/zinc/93/40/06/1069934006.db2.gz ZVIFTZWLKNJTNY-PBHICJAKSA-N 1 2 452.340 3.644 20 0 JHADLO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433861 1069934012 /nfs/dbraw/zinc/93/40/12/1069934012.db2.gz ZVIFTZWLKNJTNY-PBHICJAKSA-N 1 2 452.340 3.644 20 0 JHADLO CCCC(=O)NC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC001307416275 1069973387 /nfs/dbraw/zinc/97/33/87/1069973387.db2.gz YYUFWLGRCQFEBO-NRFANRHFSA-N 1 2 456.974 3.991 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H](OCC)[C@H]3Oc3ccccc3)CC2)cc1 ZINC001312535540 1069998024 /nfs/dbraw/zinc/99/80/24/1069998024.db2.gz CRWLVPBJENUUNT-SDHSZQHLSA-N 1 2 453.583 3.538 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)c1 ZINC001307464740 1070000785 /nfs/dbraw/zinc/00/07/85/1070000785.db2.gz IUYKZPKRSQKRFF-XOBRGWDASA-N 1 2 450.352 3.502 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314263787 1070008073 /nfs/dbraw/zinc/00/80/73/1070008073.db2.gz CPOYLLPIXPEYGU-IOZGHAEBSA-N 1 2 493.599 3.517 20 0 JHADLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483932 1070010353 /nfs/dbraw/zinc/01/03/53/1070010353.db2.gz YFEIZKZFTRGTRX-FCHUYYIVSA-N 1 2 458.603 3.657 20 0 JHADLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483932 1070010369 /nfs/dbraw/zinc/01/03/69/1070010369.db2.gz YFEIZKZFTRGTRX-FCHUYYIVSA-N 1 2 458.603 3.657 20 0 JHADLO O=C(CN(CC[NH+]1CCOCC1)c1ccccc1)Nc1c(F)cc(F)cc1Br ZINC001307515141 1070029280 /nfs/dbraw/zinc/02/92/80/1070029280.db2.gz XSXHXVRJZQKGBJ-UHFFFAOYSA-N 1 2 454.315 3.505 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307528594 1070036303 /nfs/dbraw/zinc/03/63/03/1070036303.db2.gz ILVAOLUJPDGUAR-CZUORRHYSA-N 1 2 453.605 3.715 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307528594 1070036313 /nfs/dbraw/zinc/03/63/13/1070036313.db2.gz ILVAOLUJPDGUAR-CZUORRHYSA-N 1 2 453.605 3.715 20 0 JHADLO CCOC(=O)CC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)Cc1cccnc1 ZINC001307671919 1070115482 /nfs/dbraw/zinc/11/54/82/1070115482.db2.gz BDSDGFGJWISDAM-DEOSSOPVSA-N 1 2 453.583 3.989 20 0 JHADLO CCOC(=O)CC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)Cc1cccnc1 ZINC001307671919 1070115492 /nfs/dbraw/zinc/11/54/92/1070115492.db2.gz BDSDGFGJWISDAM-DEOSSOPVSA-N 1 2 453.583 3.989 20 0 JHADLO CCOCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001314334633 1070128808 /nfs/dbraw/zinc/12/88/08/1070128808.db2.gz OIMGTUUMYDJRGW-HSZRJFAPSA-N 1 2 454.663 3.505 20 0 JHADLO COC(=O)COc1ccc(C[N@H+](C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 ZINC001307696900 1070132633 /nfs/dbraw/zinc/13/26/33/1070132633.db2.gz CKYOIZAGBKFMIC-UHFFFAOYSA-N 1 2 453.564 3.665 20 0 JHADLO COC(=O)COc1ccc(C[N@@H+](C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 ZINC001307696900 1070132641 /nfs/dbraw/zinc/13/26/41/1070132641.db2.gz CKYOIZAGBKFMIC-UHFFFAOYSA-N 1 2 453.564 3.665 20 0 JHADLO CC(C)CCc1nc(C[N@@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cs1 ZINC001307699084 1070134094 /nfs/dbraw/zinc/13/40/94/1070134094.db2.gz TZELFANFFZBJKH-IBGZPJMESA-N 1 2 450.649 3.775 20 0 JHADLO CC(C)CCc1nc(C[N@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cs1 ZINC001307699084 1070134100 /nfs/dbraw/zinc/13/41/00/1070134100.db2.gz TZELFANFFZBJKH-IBGZPJMESA-N 1 2 450.649 3.775 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)[C@@H](C)CN3CCOCC3)nc21 ZINC001307731078 1070155189 /nfs/dbraw/zinc/15/51/89/1070155189.db2.gz AZNDFAFLXHXIQT-FQEVSTJZSA-N 1 2 452.624 3.790 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)[C@@H](C)CN3CCOCC3)nc21 ZINC001307731078 1070155194 /nfs/dbraw/zinc/15/51/94/1070155194.db2.gz AZNDFAFLXHXIQT-FQEVSTJZSA-N 1 2 452.624 3.790 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(C)[C@@H](C)C[NH+]3CCOCC3)nc21 ZINC001307731078 1070155198 /nfs/dbraw/zinc/15/51/98/1070155198.db2.gz AZNDFAFLXHXIQT-FQEVSTJZSA-N 1 2 452.624 3.790 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001307758721 1070170148 /nfs/dbraw/zinc/17/01/48/1070170148.db2.gz BOJXHGPQOAPUCS-UHFFFAOYSA-N 1 2 455.555 3.641 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC001307758721 1070170151 /nfs/dbraw/zinc/17/01/51/1070170151.db2.gz BOJXHGPQOAPUCS-UHFFFAOYSA-N 1 2 455.555 3.641 20 0 JHADLO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001307774764 1070178663 /nfs/dbraw/zinc/17/86/63/1070178663.db2.gz FUFSVDMXQVLWCQ-UHFFFAOYSA-N 1 2 451.365 3.910 20 0 JHADLO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001307774764 1070178666 /nfs/dbraw/zinc/17/86/66/1070178666.db2.gz FUFSVDMXQVLWCQ-UHFFFAOYSA-N 1 2 451.365 3.910 20 0 JHADLO O=C(C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC001307788497 1070182765 /nfs/dbraw/zinc/18/27/65/1070182765.db2.gz QJYNQPWNJXNVGP-UHFFFAOYSA-N 1 2 454.518 3.817 20 0 JHADLO CCOCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314375917 1070215823 /nfs/dbraw/zinc/21/58/23/1070215823.db2.gz NOUXETORRLMADN-UHFFFAOYSA-N 1 2 480.588 3.642 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001313001315 1070218061 /nfs/dbraw/zinc/21/80/61/1070218061.db2.gz XNNMYUQPNPEQPI-SFHVURJKSA-N 1 2 457.402 3.830 20 0 JHADLO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+](C)CCNC(C)=O)cc1 ZINC001307875516 1070219126 /nfs/dbraw/zinc/21/91/26/1070219126.db2.gz OGWYFTPKSQKFSN-AREMUKBSSA-N 1 2 458.562 3.594 20 0 JHADLO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+](C)CCNC(C)=O)cc1 ZINC001307875516 1070219144 /nfs/dbraw/zinc/21/91/44/1070219144.db2.gz OGWYFTPKSQKFSN-AREMUKBSSA-N 1 2 458.562 3.594 20 0 JHADLO Cn1ccnc1[C@H]([NH2+]CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)(C)CO ZINC001307880441 1070221328 /nfs/dbraw/zinc/22/13/28/1070221328.db2.gz CWHIATUKEOKKBS-DEOSSOPVSA-N 1 2 458.566 3.561 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 ZINC001313017568 1070222931 /nfs/dbraw/zinc/22/29/31/1070222931.db2.gz XOYCKLDIOUHSDZ-FGZHOGPDSA-N 1 2 453.974 3.562 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885071 1070225271 /nfs/dbraw/zinc/22/52/71/1070225271.db2.gz FYMFZPMXSVPGBG-KURKYZTESA-N 1 2 452.983 3.600 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885071 1070225281 /nfs/dbraw/zinc/22/52/81/1070225281.db2.gz FYMFZPMXSVPGBG-KURKYZTESA-N 1 2 452.983 3.600 20 0 JHADLO COc1cc2c(cc1OC)[C@@H](NC(=O)NCc1cc[nH+]c(N3CCSCC3)c1)CCCC2 ZINC001313094118 1070248799 /nfs/dbraw/zinc/24/87/99/1070248799.db2.gz PZADWVPAAXVMCR-FQEVSTJZSA-N 1 2 456.612 3.919 20 0 JHADLO CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001313092648 1070248472 /nfs/dbraw/zinc/24/84/72/1070248472.db2.gz AHAZMUSKQKAGIQ-HXUWFJFHSA-N 1 2 456.612 3.871 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001314396155 1070255145 /nfs/dbraw/zinc/25/51/45/1070255145.db2.gz IGDKDLWTAWCJPQ-UHFFFAOYSA-N 1 2 498.701 3.622 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(Cl)cc1F ZINC001314397923 1070258077 /nfs/dbraw/zinc/25/80/77/1070258077.db2.gz XNSPYFAELYFHHA-UHFFFAOYSA-N 1 2 464.998 3.743 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001314400181 1070261819 /nfs/dbraw/zinc/26/18/19/1070261819.db2.gz QUDXOAANBGWISJ-OFNKIYASSA-N 1 2 462.038 3.851 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166529 1070276048 /nfs/dbraw/zinc/27/60/48/1070276048.db2.gz BYDYKOGXZFQVEV-DQEYMECFSA-N 1 2 451.611 3.789 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166529 1070276058 /nfs/dbraw/zinc/27/60/58/1070276058.db2.gz BYDYKOGXZFQVEV-DQEYMECFSA-N 1 2 451.611 3.789 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccco1 ZINC001308017945 1070282479 /nfs/dbraw/zinc/28/24/79/1070282479.db2.gz ZZOHHMKFSYYVNQ-QPPBQGQZSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccco1 ZINC001308017945 1070282495 /nfs/dbraw/zinc/28/24/95/1070282495.db2.gz ZZOHHMKFSYYVNQ-QPPBQGQZSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314421100 1070293388 /nfs/dbraw/zinc/29/33/88/1070293388.db2.gz OUFVKGVHPYKBGK-ZDXQCDESSA-N 1 2 455.647 3.794 20 0 JHADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC001308068311 1070300821 /nfs/dbraw/zinc/30/08/21/1070300821.db2.gz VFLGERXKZDHQOT-MSOLQXFVSA-N 1 2 455.393 3.875 20 0 JHADLO CCOC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314439451 1070327668 /nfs/dbraw/zinc/32/76/68/1070327668.db2.gz CVZQUBVOZWTKCW-UGKGYDQZSA-N 1 2 470.568 3.708 20 0 JHADLO CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001313334351 1070329280 /nfs/dbraw/zinc/32/92/80/1070329280.db2.gz KMKSUQYXUJHIRM-ZWKOTPCHSA-N 1 2 450.649 3.831 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172124 1070335018 /nfs/dbraw/zinc/33/50/18/1070335018.db2.gz CMTAAUUMPANABB-AOMKIAJQSA-N 1 2 451.637 3.692 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172124 1070335027 /nfs/dbraw/zinc/33/50/27/1070335027.db2.gz CMTAAUUMPANABB-AOMKIAJQSA-N 1 2 451.637 3.692 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC001308176418 1070336643 /nfs/dbraw/zinc/33/66/43/1070336643.db2.gz GRKGXHNFNOSINB-FQEVSTJZSA-N 1 2 459.356 3.679 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC001308176418 1070336661 /nfs/dbraw/zinc/33/66/61/1070336661.db2.gz GRKGXHNFNOSINB-FQEVSTJZSA-N 1 2 459.356 3.679 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC001308176420 1070336820 /nfs/dbraw/zinc/33/68/20/1070336820.db2.gz GRKGXHNFNOSINB-HXUWFJFHSA-N 1 2 459.356 3.679 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC001308176420 1070336830 /nfs/dbraw/zinc/33/68/30/1070336830.db2.gz GRKGXHNFNOSINB-HXUWFJFHSA-N 1 2 459.356 3.679 20 0 JHADLO CNc1cc(CNC(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)cc[nH+]1 ZINC001313424842 1070355740 /nfs/dbraw/zinc/35/57/40/1070355740.db2.gz ICYFSXMSHJKSIN-INIZCTEOSA-N 1 2 450.324 3.502 20 0 JHADLO CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001314458580 1070360442 /nfs/dbraw/zinc/36/04/42/1070360442.db2.gz DTOLGIHNOATMJF-HXUWFJFHSA-N 1 2 461.054 3.630 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NCc2cn(C3CCC3)nn2)CC1 ZINC001308427109 1070374185 /nfs/dbraw/zinc/37/41/85/1070374185.db2.gz QSMQSWAIHPMZMC-UHFFFAOYSA-N 1 2 456.591 3.547 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)C1 ZINC001308588057 1070396242 /nfs/dbraw/zinc/39/62/42/1070396242.db2.gz YNKITOTZUQHCNX-UNMCSNQZSA-N 1 2 453.583 3.901 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)C1 ZINC001308588057 1070396262 /nfs/dbraw/zinc/39/62/62/1070396262.db2.gz YNKITOTZUQHCNX-UNMCSNQZSA-N 1 2 453.583 3.901 20 0 JHADLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC001308604811 1070400213 /nfs/dbraw/zinc/40/02/13/1070400213.db2.gz BHVNZIDSTYFMCX-QFIPXVFZSA-N 1 2 451.659 3.748 20 0 JHADLO Cc1cc(N2CCN(Cc3cc(C(C)(C)NC(=O)OC(C)(C)C)no3)CC2)nc(C(C)C)[nH+]1 ZINC001308654325 1070411712 /nfs/dbraw/zinc/41/17/12/1070411712.db2.gz OSDKIUOMMPZSRP-UHFFFAOYSA-N 1 2 458.607 3.978 20 0 JHADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001308638281 1070408428 /nfs/dbraw/zinc/40/84/28/1070408428.db2.gz DCXBXOFPMVESNM-FQEVSTJZSA-N 1 2 456.534 3.718 20 0 JHADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001308638281 1070408436 /nfs/dbraw/zinc/40/84/36/1070408436.db2.gz DCXBXOFPMVESNM-FQEVSTJZSA-N 1 2 456.534 3.718 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001313461263 1070414963 /nfs/dbraw/zinc/41/49/63/1070414963.db2.gz IIYUNFAKWQOOSR-DYESRHJHSA-N 1 2 485.583 3.597 20 0 JHADLO Cc1ccc(-n2c(Cl)c(C[NH+]3CCC(CNC(=O)C(F)(F)F)CC3)nc2N(C)C)cc1 ZINC001308729307 1070427664 /nfs/dbraw/zinc/42/76/64/1070427664.db2.gz XLJFPMBTOQJODK-UHFFFAOYSA-N 1 2 457.928 3.791 20 0 JHADLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Cc1ccccc1S(N)(=O)=O ZINC001308782563 1070438085 /nfs/dbraw/zinc/43/80/85/1070438085.db2.gz PBDVPKZBHGXRCH-UHFFFAOYSA-N 1 2 450.539 3.958 20 0 JHADLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Cc1ccccc1S(N)(=O)=O ZINC001308782563 1070438093 /nfs/dbraw/zinc/43/80/93/1070438093.db2.gz PBDVPKZBHGXRCH-UHFFFAOYSA-N 1 2 450.539 3.958 20 0 JHADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC001308863531 1070450741 /nfs/dbraw/zinc/45/07/41/1070450741.db2.gz CYONEDNESAFPQJ-UHFFFAOYSA-N 1 2 451.166 3.918 20 0 JHADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC001308863531 1070450745 /nfs/dbraw/zinc/45/07/45/1070450745.db2.gz CYONEDNESAFPQJ-UHFFFAOYSA-N 1 2 451.166 3.918 20 0 JHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001308922055 1070459580 /nfs/dbraw/zinc/45/95/80/1070459580.db2.gz IGSLKQPWYPYESK-INIZCTEOSA-N 1 2 450.004 3.851 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001314510515 1070467300 /nfs/dbraw/zinc/46/73/00/1070467300.db2.gz YAFJDRIYHNSVGX-UHFFFAOYSA-N 1 2 488.702 3.704 20 0 JHADLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308966076 1070467778 /nfs/dbraw/zinc/46/77/78/1070467778.db2.gz MFFCIYZWIPERIV-LEOMRAHMSA-N 1 2 455.393 3.959 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+]1CC=CCC1 ZINC001314512176 1070473966 /nfs/dbraw/zinc/47/39/66/1070473966.db2.gz GBVXFONVSMAADO-IBGZPJMESA-N 1 2 491.727 3.797 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@@H+]1CC=CCC1 ZINC001314512176 1070473973 /nfs/dbraw/zinc/47/39/73/1070473973.db2.gz GBVXFONVSMAADO-IBGZPJMESA-N 1 2 491.727 3.797 20 0 JHADLO CCc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001309071455 1070522472 /nfs/dbraw/zinc/52/24/72/1070522472.db2.gz BACWIFZRWBAXII-UHFFFAOYSA-N 1 2 454.571 3.588 20 0 JHADLO CCCOc1ccc(Cn2c(C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1OC ZINC001313511194 1070562056 /nfs/dbraw/zinc/56/20/56/1070562056.db2.gz SKUVURZLIBYNPU-UHFFFAOYSA-N 1 2 479.629 3.981 20 0 JHADLO CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001314562729 1070564281 /nfs/dbraw/zinc/56/42/81/1070564281.db2.gz DKTMRXIOFKJDMQ-AONNBLCTSA-N 1 2 471.627 3.507 20 0 JHADLO COC(=O)CCCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001309172292 1070583919 /nfs/dbraw/zinc/58/39/19/1070583919.db2.gz AJMZCFVVIMTQLR-UHFFFAOYSA-N 1 2 451.416 3.611 20 0 JHADLO CC[S@@](=O)CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001314580564 1070592266 /nfs/dbraw/zinc/59/22/66/1070592266.db2.gz UXNHUZMVZAUGBR-PSTIOWGYSA-N 1 2 459.660 3.596 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001314600067 1070648523 /nfs/dbraw/zinc/64/85/23/1070648523.db2.gz NYQJPFIFVKJWNA-OAQYLSRUSA-N 1 2 485.702 3.962 20 0 JHADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC001309312242 1070690234 /nfs/dbraw/zinc/69/02/34/1070690234.db2.gz DOLGNJCFVGYLJQ-UHFFFAOYSA-N 1 2 453.539 3.544 20 0 JHADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC001309312242 1070690236 /nfs/dbraw/zinc/69/02/36/1070690236.db2.gz DOLGNJCFVGYLJQ-UHFFFAOYSA-N 1 2 453.539 3.544 20 0 JHADLO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001309340970 1070709977 /nfs/dbraw/zinc/70/99/77/1070709977.db2.gz UVOZAOZFGBWJKD-UHFFFAOYSA-N 1 2 455.422 3.593 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c[nH+]1 ZINC001314660377 1070784355 /nfs/dbraw/zinc/78/43/55/1070784355.db2.gz GJCBHRYQNRCIMJ-UHFFFAOYSA-N 1 2 482.032 3.803 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC001314662156 1070788210 /nfs/dbraw/zinc/78/82/10/1070788210.db2.gz ZWXNGQQVZSDSJL-PGRDOPGGSA-N 1 2 482.551 3.559 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)c[nH+]1 ZINC001314661507 1070786513 /nfs/dbraw/zinc/78/65/13/1070786513.db2.gz ODPQCMFKCLVELT-NRFANRHFSA-N 1 2 452.578 3.769 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CC=CCC2)c[nH+]1 ZINC001314661715 1070787012 /nfs/dbraw/zinc/78/70/12/1070787012.db2.gz XKQJKYHTIGXXIJ-LJQANCHMSA-N 1 2 480.638 3.650 20 0 JHADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)[nH+]1 ZINC001313641323 1070787207 /nfs/dbraw/zinc/78/72/07/1070787207.db2.gz UIVYZFTZTCZZQG-XMMPIXPASA-N 1 2 476.625 3.719 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)(F)F)c[nH+]1 ZINC001314661678 1070787159 /nfs/dbraw/zinc/78/71/59/1070787159.db2.gz WDBASDUVKHNIQH-UHFFFAOYSA-N 1 2 486.340 3.944 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@H]3CCCCO3)n1CC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001314663522 1070792432 /nfs/dbraw/zinc/79/24/32/1070792432.db2.gz GJEYODLEMQDXJC-HXUWFJFHSA-N 1 2 499.660 3.847 20 0 JHADLO O=S(=O)(Cc1ccc(Cl)cc1Br)NCc1ccccc1Cn1cc[nH+]c1 ZINC001309559416 1070856795 /nfs/dbraw/zinc/85/67/95/1070856795.db2.gz UPVVCNJJZXAGBC-UHFFFAOYSA-N 1 2 454.777 3.967 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C ZINC001314712442 1070897087 /nfs/dbraw/zinc/89/70/87/1070897087.db2.gz NAKLEJYAVBNMPC-RTBURBONSA-N 1 2 463.648 3.516 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)c[nH+]1 ZINC001313672155 1070902742 /nfs/dbraw/zinc/90/27/42/1070902742.db2.gz CKKHXGMCDTWUDS-UHFFFAOYSA-N 1 2 461.614 3.653 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H](C)CC(N)=O)c[nH+]1 ZINC001313672825 1070904907 /nfs/dbraw/zinc/90/49/07/1070904907.db2.gz HPNVKEPWFMQWEN-MRXNPFEDSA-N 1 2 455.994 3.588 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)c[nH+]1 ZINC001313677918 1070927651 /nfs/dbraw/zinc/92/76/51/1070927651.db2.gz AHWWBYWZOYZJOY-UHFFFAOYSA-N 1 2 473.585 3.914 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)c1ccco1 ZINC001313676957 1070923415 /nfs/dbraw/zinc/92/34/15/1070923415.db2.gz HBEILPYVGMLSGE-VXKWHMMOSA-N 1 2 485.654 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001313678697 1070930731 /nfs/dbraw/zinc/93/07/31/1070930731.db2.gz KLUBZXUWFOYYPA-UHFFFAOYSA-N 1 2 491.640 3.515 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C(C)(C)C)C2)c[nH+]1 ZINC001313678758 1070931471 /nfs/dbraw/zinc/93/14/71/1070931471.db2.gz HZPQXOMTBKHSQS-QFIPXVFZSA-N 1 2 463.630 3.805 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c[nH+]1 ZINC001313679297 1070934607 /nfs/dbraw/zinc/93/46/07/1070934607.db2.gz QXBWFEARTABXBY-OFNKIYASSA-N 1 2 464.614 3.662 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313683517 1070944071 /nfs/dbraw/zinc/94/40/71/1070944071.db2.gz FEFSDAUQMMMNFF-QZTJIDSGSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313683517 1070944079 /nfs/dbraw/zinc/94/40/79/1070944079.db2.gz FEFSDAUQMMMNFF-QZTJIDSGSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001313685584 1070946094 /nfs/dbraw/zinc/94/60/94/1070946094.db2.gz RTNGALHCKFODBV-GOSISDBHSA-N 1 2 454.550 3.683 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)c[nH+]1 ZINC001313681833 1070942266 /nfs/dbraw/zinc/94/22/66/1070942266.db2.gz YCXPBBTXJVBWHO-JOCHJYFZSA-N 1 2 491.640 3.763 20 0 JHADLO CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001313689900 1070949405 /nfs/dbraw/zinc/94/94/05/1070949405.db2.gz NWXIZYFCDJZLBA-JOCHJYFZSA-N 1 2 454.644 3.862 20 0 JHADLO C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001309746499 1070951120 /nfs/dbraw/zinc/95/11/20/1070951120.db2.gz IVPTXLRWHCSRPF-VXKWHMMOSA-N 1 2 457.640 3.606 20 0 JHADLO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001314746793 1070992485 /nfs/dbraw/zinc/99/24/85/1070992485.db2.gz QXQKJQIKJQADCX-SFHVURJKSA-N 1 2 484.402 3.525 20 0 JHADLO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001309998512 1071047497 /nfs/dbraw/zinc/04/74/97/1071047497.db2.gz UPTAVQYGXVMOND-QGZVFWFLSA-N 1 2 450.630 3.737 20 0 JHADLO CN(CC1CC(F)C1)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314782544 1071058000 /nfs/dbraw/zinc/05/80/00/1071058000.db2.gz CTNMVCOYJKMZTP-VPWFFCTISA-N 1 2 451.537 3.938 20 0 JHADLO CCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC001310009537 1071055706 /nfs/dbraw/zinc/05/57/06/1071055706.db2.gz BZXOFXVWYNRWBB-SFHVURJKSA-N 1 2 454.571 3.754 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC1(OC)CCCCC1 ZINC001313777755 1071136298 /nfs/dbraw/zinc/13/62/98/1071136298.db2.gz APXVSGONLYNTAS-UHFFFAOYSA-N 1 2 497.688 3.904 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001310132525 1071143378 /nfs/dbraw/zinc/14/33/78/1071143378.db2.gz LIBXLPPEOXNDRW-RBUKOAKNSA-N 1 2 451.354 3.546 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001310132525 1071143384 /nfs/dbraw/zinc/14/33/84/1071143384.db2.gz LIBXLPPEOXNDRW-RBUKOAKNSA-N 1 2 451.354 3.546 20 0 JHADLO COc1cc([C@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC001310138000 1071146337 /nfs/dbraw/zinc/14/63/37/1071146337.db2.gz AWCAZMWNWRCTDS-OTWHNJEPSA-N 1 2 457.571 3.558 20 0 JHADLO COc1cc([C@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC001310138000 1071146344 /nfs/dbraw/zinc/14/63/44/1071146344.db2.gz AWCAZMWNWRCTDS-OTWHNJEPSA-N 1 2 457.571 3.558 20 0 JHADLO CN(CCC(F)F)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314826958 1071152012 /nfs/dbraw/zinc/15/20/12/1071152012.db2.gz MEKZJRYYRXYMPZ-UHFFFAOYSA-N 1 2 487.942 3.843 20 0 JHADLO COc1ccc(I)c(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC001310213412 1071211169 /nfs/dbraw/zinc/21/11/69/1071211169.db2.gz CXFVACVFDYOQFE-UHFFFAOYSA-N 1 2 450.280 3.620 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CCc3ccccc3)n1CCN(C)CC(F)(F)F)C2 ZINC001314865844 1071267912 /nfs/dbraw/zinc/26/79/12/1071267912.db2.gz ZMXIFVVTYHHSAG-UHFFFAOYSA-N 1 2 487.574 3.581 20 0 JHADLO O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC001310285973 1071270619 /nfs/dbraw/zinc/27/06/19/1071270619.db2.gz SKCQQVDKCXPJJX-UHFFFAOYSA-N 1 2 451.502 3.984 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)c1ccccc1 ZINC001314870048 1071280185 /nfs/dbraw/zinc/28/01/85/1071280185.db2.gz MLEYCOKJBPGKEE-UHFFFAOYSA-N 1 2 462.932 3.554 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314869563 1071279353 /nfs/dbraw/zinc/27/93/53/1071279353.db2.gz BUMGUIYWKPERKH-RUZDIDTESA-N 1 2 493.599 3.646 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CCCC(F)(F)F ZINC001314869603 1071279478 /nfs/dbraw/zinc/27/94/78/1071279478.db2.gz COCHDQMDSJPDPE-UHFFFAOYSA-N 1 2 476.341 3.819 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CSCCS1 ZINC001314869877 1071280101 /nfs/dbraw/zinc/28/01/01/1071280101.db2.gz IIPYEEOEWHYWMC-OAQYLSRUSA-N 1 2 475.728 3.860 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1Cc1sccc1Br ZINC001314870918 1071282681 /nfs/dbraw/zinc/28/26/81/1071282681.db2.gz WUIVZBQHPFJICM-UHFFFAOYSA-N 1 2 462.417 3.586 20 0 JHADLO C[S@@](=O)c1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC001310304222 1071287210 /nfs/dbraw/zinc/28/72/10/1071287210.db2.gz CPFZZBFKYJYWEK-HHHXNRCGSA-N 1 2 451.346 3.710 20 0 JHADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001310309005 1071290039 /nfs/dbraw/zinc/29/00/39/1071290039.db2.gz ZWCWMJLJHOJBPF-GOSISDBHSA-N 1 2 450.539 3.547 20 0 JHADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001310309005 1071290043 /nfs/dbraw/zinc/29/00/43/1071290043.db2.gz ZWCWMJLJHOJBPF-GOSISDBHSA-N 1 2 450.539 3.547 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001310354997 1071333360 /nfs/dbraw/zinc/33/33/60/1071333360.db2.gz ILDFOCBSBFXGGX-HSZRJFAPSA-N 1 2 453.974 3.974 20 0 JHADLO CCn1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC001313845804 1071335251 /nfs/dbraw/zinc/33/52/51/1071335251.db2.gz DHPUQUXGOBYWFG-FQEVSTJZSA-N 1 2 471.675 3.703 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371030 1071347256 /nfs/dbraw/zinc/34/72/56/1071347256.db2.gz IXXNROUPPBCBTR-DRKIFQHWSA-N 1 2 455.502 3.645 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371030 1071347271 /nfs/dbraw/zinc/34/72/71/1071347271.db2.gz IXXNROUPPBCBTR-DRKIFQHWSA-N 1 2 455.502 3.645 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927292 1071579274 /nfs/dbraw/zinc/57/92/74/1071579274.db2.gz KIHLNEPIBZDIMM-HXUWFJFHSA-N 1 2 458.626 3.649 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927544 1071580548 /nfs/dbraw/zinc/58/05/48/1071580548.db2.gz MANQHYSUQNYPDU-FQEVSTJZSA-N 1 2 461.054 3.773 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928282 1071583127 /nfs/dbraw/zinc/58/31/27/1071583127.db2.gz TYSXSBDMKVDHQW-WNCULLNHSA-N 1 2 484.689 3.505 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001314018560 1071765852 /nfs/dbraw/zinc/76/58/52/1071765852.db2.gz AZVFOXHIKOKZNQ-UHFFFAOYSA-N 1 2 494.596 3.577 20 0 JHADLO CCO[C@H](C)c1noc(CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC001314060609 1071895673 /nfs/dbraw/zinc/89/56/73/1071895673.db2.gz BYZRWCQDWYEJNY-MSOLQXFVSA-N 1 2 456.595 3.676 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3C)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074505 1071929868 /nfs/dbraw/zinc/92/98/68/1071929868.db2.gz LCXRZILBYZOASG-CLOONOSVSA-N 1 2 451.571 3.888 20 0 JHADLO CCO[C@]1(c2nnc(N3CC[C@@](C)(CC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314105102 1071993710 /nfs/dbraw/zinc/99/37/10/1071993710.db2.gz ALYYSVOIDRJTMK-JWQCQUIFSA-N 1 2 456.635 3.846 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[C@@H](C(=O)OC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC001305930029 1068229524 /nfs/dbraw/zinc/22/95/24/1068229524.db2.gz FXZVDCAUXQIBQS-JOCHJYFZSA-N 1 2 462.598 3.796 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CCC=C(C)C)cc1 ZINC001305947016 1068263241 /nfs/dbraw/zinc/26/32/41/1068263241.db2.gz HPVIJTCTUHKRKH-HXUWFJFHSA-N 1 2 450.631 3.653 20 0 JHADLO CCc1ccc(CCn2c(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001305959253 1068289401 /nfs/dbraw/zinc/28/94/01/1068289401.db2.gz CJYFEXBCAQBADD-OAQYLSRUSA-N 1 2 466.674 3.514 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)CC ZINC001305988157 1068343616 /nfs/dbraw/zinc/34/36/16/1068343616.db2.gz YRJLMRQQGIHMCB-JOCHJYFZSA-N 1 2 496.700 3.989 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)s1 ZINC001306002284 1068375192 /nfs/dbraw/zinc/37/51/92/1068375192.db2.gz ITDOUFKKXVSVIL-DOTOQJQBSA-N 1 2 455.632 3.780 20 0 JHADLO CCc1nnc(N(C)Cc2ccc(Br)s2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306075069 1068507620 /nfs/dbraw/zinc/50/76/20/1068507620.db2.gz UJXBCTDBXZXXGW-UHFFFAOYSA-N 1 2 477.432 3.581 20 0 JHADLO CCc1nnc(N(C)Cc2c(F)cccc2Cl)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306077694 1068509112 /nfs/dbraw/zinc/50/91/12/1068509112.db2.gz RNKDXTUHQRHVDF-INIZCTEOSA-N 1 2 458.969 3.938 20 0 JHADLO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001306125846 1068532814 /nfs/dbraw/zinc/53/28/14/1068532814.db2.gz UYFMVTFWSXSYKS-IBGZPJMESA-N 1 2 460.420 3.621 20 0 JHADLO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001306125846 1068532822 /nfs/dbraw/zinc/53/28/22/1068532822.db2.gz UYFMVTFWSXSYKS-IBGZPJMESA-N 1 2 460.420 3.621 20 0 JHADLO CC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306343198 1068779199 /nfs/dbraw/zinc/77/91/99/1068779199.db2.gz QTNORHCTBSOWAV-SFTDATJTSA-N 1 2 458.626 3.649 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c[nH+]ccc2OC)C[C@@H](C)O1 ZINC001306450415 1068968539 /nfs/dbraw/zinc/96/85/39/1068968539.db2.gz FWLRNNRVQBMART-CTNGQTDRSA-N 1 2 451.571 3.930 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CCS1 ZINC001306454214 1068975506 /nfs/dbraw/zinc/97/55/06/1068975506.db2.gz SMCBVXODJSRFES-KNQAVFIVSA-N 1 2 493.121 3.868 20 0 JHADLO C[C@H]([C@H](C)NC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC001310497695 1068982091 /nfs/dbraw/zinc/98/20/91/1068982091.db2.gz KUPPVNYZUQYYOH-QWHCGFSZSA-N 1 2 459.900 3.990 20 0 JHADLO COC(=O)c1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc(Br)c1F ZINC001310553162 1069013810 /nfs/dbraw/zinc/01/38/10/1069013810.db2.gz VJYGWQZKCVVKKS-UHFFFAOYSA-N 1 2 451.296 3.692 20 0 JHADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001310576844 1069027252 /nfs/dbraw/zinc/02/72/52/1069027252.db2.gz JTBJFVWGURKKES-UHFFFAOYSA-N 1 2 455.868 3.614 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306497182 1069045364 /nfs/dbraw/zinc/04/53/64/1069045364.db2.gz GGERUJIUZNOTHH-HXUWFJFHSA-N 1 2 468.989 3.936 20 0 JHADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310625145 1069067524 /nfs/dbraw/zinc/06/75/24/1069067524.db2.gz ZUKYQZNVLMYLJX-SFHVURJKSA-N 1 2 455.452 3.832 20 0 JHADLO O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001310668184 1069097933 /nfs/dbraw/zinc/09/79/33/1069097933.db2.gz GZPQQJUNQZNJNJ-CYBMUJFWSA-N 1 2 452.271 3.676 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001306510165 1069100506 /nfs/dbraw/zinc/10/05/06/1069100506.db2.gz CRWRPWIKJZZNTP-UHFFFAOYSA-N 1 2 476.629 3.515 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001306513952 1069113050 /nfs/dbraw/zinc/11/30/50/1069113050.db2.gz ABLJPIJNRYXKFT-QFIPXVFZSA-N 1 2 467.662 3.968 20 0 JHADLO O=C(Nc1ncc(Cc2ccccc2F)s1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310692744 1069114974 /nfs/dbraw/zinc/11/49/74/1069114974.db2.gz TZEDZUOFKXTCSD-FQEVSTJZSA-N 1 2 454.571 3.938 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001306515932 1069119962 /nfs/dbraw/zinc/11/99/62/1069119962.db2.gz BTKSBCXEYZFBDH-NRFANRHFSA-N 1 2 467.662 3.653 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306516411 1069122332 /nfs/dbraw/zinc/12/23/32/1069122332.db2.gz DTMALKLZCGDBKU-LJQANCHMSA-N 1 2 455.651 3.509 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306516408 1069122427 /nfs/dbraw/zinc/12/24/27/1069122427.db2.gz DTMALKLZCGDBKU-IBGZPJMESA-N 1 2 455.651 3.509 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(F)cc3OC3CCOCC3)C2)cc1 ZINC001310716545 1069130987 /nfs/dbraw/zinc/13/09/87/1069130987.db2.gz OBAJKTOUFOCTNI-QFIPXVFZSA-N 1 2 457.546 3.714 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(F)cc3OC3CCOCC3)C2)cc1 ZINC001310716545 1069130989 /nfs/dbraw/zinc/13/09/89/1069130989.db2.gz OBAJKTOUFOCTNI-QFIPXVFZSA-N 1 2 457.546 3.714 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(OC)c1F ZINC001310754609 1069151791 /nfs/dbraw/zinc/15/17/91/1069151791.db2.gz YYCHRBAVDIUKIJ-FUHWJXTLSA-N 1 2 455.889 3.829 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(OC)c1F ZINC001310754609 1069151803 /nfs/dbraw/zinc/15/18/03/1069151803.db2.gz YYCHRBAVDIUKIJ-FUHWJXTLSA-N 1 2 455.889 3.829 20 0 JHADLO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1-c1ncco1 ZINC001310815110 1069175488 /nfs/dbraw/zinc/17/54/88/1069175488.db2.gz XAGNDEPECVIBBO-SFHVURJKSA-N 1 2 455.559 3.809 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906275 1069217571 /nfs/dbraw/zinc/21/75/71/1069217571.db2.gz WGUCSKIOFDUJNO-HSZRJFAPSA-N 1 2 455.628 3.518 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906275 1069217584 /nfs/dbraw/zinc/21/75/84/1069217584.db2.gz WGUCSKIOFDUJNO-HSZRJFAPSA-N 1 2 455.628 3.518 20 0 JHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 ZINC001310995391 1069244394 /nfs/dbraw/zinc/24/43/94/1069244394.db2.gz NXEMVIBXTGJHPG-UYAOXDASSA-N 1 2 455.559 3.750 20 0 JHADLO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001311079436 1069265934 /nfs/dbraw/zinc/26/59/34/1069265934.db2.gz XTDBYODMVJPXLQ-UHFFFAOYSA-N 1 2 452.452 3.922 20 0 JHADLO CCCC(O)(CCC)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001306595429 1069268257 /nfs/dbraw/zinc/26/82/57/1069268257.db2.gz FXAALLVMEQWVIZ-UHFFFAOYSA-N 1 2 493.660 3.615 20 0 JHADLO CC(C)(C)c1ccc(Br)cc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001311152666 1069285028 /nfs/dbraw/zinc/28/50/28/1069285028.db2.gz SMPOZUGVWALHEX-UHFFFAOYSA-N 1 2 450.381 3.919 20 0 JHADLO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001306618275 1069300802 /nfs/dbraw/zinc/30/08/02/1069300802.db2.gz NSILWOCGKGTOSR-XZOQPEGZSA-N 1 2 455.647 3.963 20 0 JHADLO Cc1nc(Cl)cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164419103 718889856 /nfs/dbraw/zinc/88/98/56/718889856.db2.gz PSPQUILXKWVILS-LBPRGKRZSA-N 1 2 458.694 3.971 20 0 JHADLO Cc1nc(Cl)cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164419101 718890199 /nfs/dbraw/zinc/89/01/99/718890199.db2.gz PSPQUILXKWVILS-GFCCVEGCSA-N 1 2 458.694 3.971 20 0 JHADLO Nc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cnc1Cl ZINC001164416953 718890594 /nfs/dbraw/zinc/89/05/94/718890594.db2.gz GPNRODGUUXIBKZ-ZDUSSCGKSA-N 1 2 458.694 3.850 20 0 JHADLO O=C(c1cccnc1N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164620199 719128868 /nfs/dbraw/zinc/12/88/68/719128868.db2.gz HURVQYHGZMHDRV-UHFFFAOYSA-N 1 2 496.615 3.936 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)CC2)C1=O ZINC001164644489 719281987 /nfs/dbraw/zinc/28/19/87/719281987.db2.gz LVCZNWWTIBSLDN-UHFFFAOYSA-N 1 2 477.634 3.632 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)CC2)C1=O ZINC001164644489 719281991 /nfs/dbraw/zinc/28/19/91/719281991.db2.gz LVCZNWWTIBSLDN-UHFFFAOYSA-N 1 2 477.634 3.632 20 0 JHADLO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674469 719501737 /nfs/dbraw/zinc/50/17/37/719501737.db2.gz XXFIUBPEYCCITR-UHFFFAOYSA-N 1 2 457.550 3.834 20 0 JHADLO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674469 719501745 /nfs/dbraw/zinc/50/17/45/719501745.db2.gz XXFIUBPEYCCITR-UHFFFAOYSA-N 1 2 457.550 3.834 20 0 JHADLO COc1cc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164673781 719507520 /nfs/dbraw/zinc/50/75/20/719507520.db2.gz RTBHGYDPQISZDZ-UHFFFAOYSA-N 1 2 466.557 3.966 20 0 JHADLO COc1cc2nc(C)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164673781 719507521 /nfs/dbraw/zinc/50/75/21/719507521.db2.gz RTBHGYDPQISZDZ-UHFFFAOYSA-N 1 2 466.557 3.966 20 0 JHADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)C1=O ZINC001164672755 719518833 /nfs/dbraw/zinc/51/88/33/719518833.db2.gz NNYYMFJSDWHJSR-UHFFFAOYSA-N 1 2 473.980 3.505 20 0 JHADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)C1=O ZINC001164672755 719518838 /nfs/dbraw/zinc/51/88/38/719518838.db2.gz NNYYMFJSDWHJSR-UHFFFAOYSA-N 1 2 473.980 3.505 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4cn(C)nc4[C@@H](COC)C3)c2c1C ZINC001164696795 719832723 /nfs/dbraw/zinc/83/27/23/719832723.db2.gz UWVDHILYQNNNGI-GOSISDBHSA-N 1 2 498.653 3.646 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC001164698052 719847835 /nfs/dbraw/zinc/84/78/35/719847835.db2.gz DQXDXSRLLXGSEB-BMLIUANNSA-N 1 2 457.185 3.928 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164699503 719856724 /nfs/dbraw/zinc/85/67/24/719856724.db2.gz FVZGSGRGEARHOM-JLTOFOAXSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001164704330 719876625 /nfs/dbraw/zinc/87/66/25/719876625.db2.gz LAEGTLJOVUDFIU-NYHFZMIOSA-N 1 2 483.371 3.822 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704914 719878241 /nfs/dbraw/zinc/87/82/41/719878241.db2.gz XFUDTESZBKTGAH-UUOWRZLLSA-N 1 2 474.989 3.717 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nnc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164820293 720370363 /nfs/dbraw/zinc/37/03/63/720370363.db2.gz NJEKCRBNXDKQMH-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nnc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164820293 720370368 /nfs/dbraw/zinc/37/03/68/720370368.db2.gz NJEKCRBNXDKQMH-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)CC3)C2=O)cs1 ZINC001164820255 720378270 /nfs/dbraw/zinc/37/82/70/720378270.db2.gz MWOZEZUHXYTLTN-UHFFFAOYSA-N 1 2 496.040 3.843 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)CC3)C2=O)cs1 ZINC001164820255 720378274 /nfs/dbraw/zinc/37/82/74/720378274.db2.gz MWOZEZUHXYTLTN-UHFFFAOYSA-N 1 2 496.040 3.843 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5ccc(Cl)nc5)n4)CC3)C2=O)cs1 ZINC001164820930 720382986 /nfs/dbraw/zinc/38/29/86/720382986.db2.gz DEDATXRRCZJCJA-UHFFFAOYSA-N 1 2 498.056 3.579 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5ccc(Cl)nc5)n4)CC3)C2=O)cs1 ZINC001164820930 720382994 /nfs/dbraw/zinc/38/29/94/720382994.db2.gz DEDATXRRCZJCJA-UHFFFAOYSA-N 1 2 498.056 3.579 20 0 JHADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830500 720397793 /nfs/dbraw/zinc/39/77/93/720397793.db2.gz RKTUWLOIQDPRJF-UHFFFAOYSA-N 1 2 465.295 3.728 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)cc(Cl)n1)C2 ZINC001164826457 720451042 /nfs/dbraw/zinc/45/10/42/720451042.db2.gz XAADTYPDPCTJOR-NRFANRHFSA-N 1 2 468.001 3.588 20 0 JHADLO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164845678 720765823 /nfs/dbraw/zinc/76/58/23/720765823.db2.gz GCXPKFVGGACBMA-KAYWLYCHSA-N 1 2 495.627 3.814 20 0 JHADLO Cc1cccc(CN2CC[C@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2=O)c1 ZINC001164855186 720806794 /nfs/dbraw/zinc/80/67/94/720806794.db2.gz WXZXANHUFHHVNA-GDLZYMKVSA-N 1 2 467.617 3.972 20 0 JHADLO Cc1cccc(CN2CC[C@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2=O)c1 ZINC001164855186 720806798 /nfs/dbraw/zinc/80/67/98/720806798.db2.gz WXZXANHUFHHVNA-GDLZYMKVSA-N 1 2 467.617 3.972 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755896 720979636 /nfs/dbraw/zinc/97/96/36/720979636.db2.gz CSOWIBKJMHOXSW-INIZCTEOSA-N 1 2 460.916 3.996 20 0 JHADLO Cc1nc(CN2CC[C@@]3(CCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2=O)cs1 ZINC001164891648 721460798 /nfs/dbraw/zinc/46/07/98/721460798.db2.gz VEFHLVQGQLYBCZ-HHHXNRCGSA-N 1 2 488.661 3.819 20 0 JHADLO Cc1nc(CN2CC[C@@]3(CCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2=O)cs1 ZINC001164891648 721460800 /nfs/dbraw/zinc/46/08/00/721460800.db2.gz VEFHLVQGQLYBCZ-HHHXNRCGSA-N 1 2 488.661 3.819 20 0 JHADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913807 721800641 /nfs/dbraw/zinc/80/06/41/721800641.db2.gz HPNFOFJZSXKDDZ-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913807 721800643 /nfs/dbraw/zinc/80/06/43/721800643.db2.gz HPNFOFJZSXKDDZ-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)nc(Cl)c2c1 ZINC001164918354 721819647 /nfs/dbraw/zinc/81/96/47/721819647.db2.gz PINJJHOMVYZUPF-UHFFFAOYSA-N 1 2 462.932 3.783 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)nc(Cl)c2c1 ZINC001164918354 721819650 /nfs/dbraw/zinc/81/96/50/721819650.db2.gz PINJJHOMVYZUPF-UHFFFAOYSA-N 1 2 462.932 3.783 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164919437 721820147 /nfs/dbraw/zinc/82/01/47/721820147.db2.gz QUBCUMBIKATCMQ-JOCHJYFZSA-N 1 2 456.953 3.871 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164919437 721820149 /nfs/dbraw/zinc/82/01/49/721820149.db2.gz QUBCUMBIKATCMQ-JOCHJYFZSA-N 1 2 456.953 3.871 20 0 JHADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C5CCCCC5)[nH+]c(C)n4)CCO3)C2)cs1 ZINC001164922963 721831546 /nfs/dbraw/zinc/83/15/46/721831546.db2.gz PTNGEFJIOSRDCO-DEOSSOPVSA-N 1 2 457.644 3.705 20 0 JHADLO Cc1cccc(Sc2cncc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n2)c1 ZINC001164946751 721977232 /nfs/dbraw/zinc/97/72/32/721977232.db2.gz KLKWQNDDLXBIDC-UHFFFAOYSA-N 1 2 459.619 3.907 20 0 JHADLO Cc1cccc(Sc2cncc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n2)c1 ZINC001164946751 721977233 /nfs/dbraw/zinc/97/72/33/721977233.db2.gz KLKWQNDDLXBIDC-UHFFFAOYSA-N 1 2 459.619 3.907 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001165051874 721993129 /nfs/dbraw/zinc/99/31/29/721993129.db2.gz ODZFQGWXWKAQCD-JOCHJYFZSA-N 1 2 464.610 3.598 20 0 JHADLO c1nc(COc2cccnc2)c2n1CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164953503 721997927 /nfs/dbraw/zinc/99/79/27/721997927.db2.gz YOGRZTNZXNJLKS-UHFFFAOYSA-N 1 2 467.577 3.616 20 0 JHADLO c1nc(COc2cccnc2)c2n1CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164953503 721997928 /nfs/dbraw/zinc/99/79/28/721997928.db2.gz YOGRZTNZXNJLKS-UHFFFAOYSA-N 1 2 467.577 3.616 20 0 JHADLO CCC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001306627232 1069323996 /nfs/dbraw/zinc/32/39/96/1069323996.db2.gz SXNHNZPZYJBQOD-SIKLNZKXSA-N 1 2 470.568 3.850 20 0 JHADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346327 1069332474 /nfs/dbraw/zinc/33/24/74/1069332474.db2.gz YZWQSHNQTGKEMF-NFBKMPQASA-N 1 2 450.583 3.718 20 0 JHADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346327 1069332488 /nfs/dbraw/zinc/33/24/88/1069332488.db2.gz YZWQSHNQTGKEMF-NFBKMPQASA-N 1 2 450.583 3.718 20 0 JHADLO O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311348104 1069334268 /nfs/dbraw/zinc/33/42/68/1069334268.db2.gz GYKREBWFLQHYRS-RUZDIDTESA-N 1 2 458.562 3.639 20 0 JHADLO O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311348104 1069334279 /nfs/dbraw/zinc/33/42/79/1069334279.db2.gz GYKREBWFLQHYRS-RUZDIDTESA-N 1 2 458.562 3.639 20 0 JHADLO CCC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633266 1069335875 /nfs/dbraw/zinc/33/58/75/1069335875.db2.gz RUJUREKRLCYZSB-RTWAWAEBSA-N 1 2 459.660 3.605 20 0 JHADLO CCCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306665723 1069392667 /nfs/dbraw/zinc/39/26/67/1069392667.db2.gz VEFNHCDIMCWYLZ-VWLOTQADSA-N 1 2 456.635 3.989 20 0 JHADLO CCC(=O)Nc1cccc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001311481447 1069397794 /nfs/dbraw/zinc/39/77/94/1069397794.db2.gz VDXLQUFTAYUUEF-UHFFFAOYSA-N 1 2 458.360 3.796 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001311531446 1069425775 /nfs/dbraw/zinc/42/57/75/1069425775.db2.gz BPNSVJYXWSMUAK-FQEVSTJZSA-N 1 2 456.896 3.975 20 0 JHADLO CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]1CCCC2 ZINC001311533501 1069426408 /nfs/dbraw/zinc/42/64/08/1069426408.db2.gz LSGBBZGWRQDHOK-NLFFAJNJSA-N 1 2 457.619 3.908 20 0 JHADLO CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1OCC(=O)N(C)C ZINC001311618139 1069470076 /nfs/dbraw/zinc/47/00/76/1069470076.db2.gz YFWDZOISMWYERF-JOCHJYFZSA-N 1 2 455.603 3.703 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306731411 1069486022 /nfs/dbraw/zinc/48/60/22/1069486022.db2.gz JNNNMFSETULMOH-LEWJYISDSA-N 1 2 478.645 3.536 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306732816 1069491179 /nfs/dbraw/zinc/49/11/79/1069491179.db2.gz MADJUSSJERODTN-WOJBJXKFSA-N 1 2 492.624 3.927 20 0 JHADLO CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccc(Cl)cc21 ZINC001311681942 1069501895 /nfs/dbraw/zinc/50/18/95/1069501895.db2.gz FMQHPNAACGBEHN-INIZCTEOSA-N 1 2 455.921 3.957 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311690981 1069504721 /nfs/dbraw/zinc/50/47/21/1069504721.db2.gz QOYXEXNMDNTXIF-IFZYUDKTSA-N 1 2 453.917 3.757 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311690981 1069504726 /nfs/dbraw/zinc/50/47/26/1069504726.db2.gz QOYXEXNMDNTXIF-IFZYUDKTSA-N 1 2 453.917 3.757 20 0 JHADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306739649 1069512518 /nfs/dbraw/zinc/51/25/18/1069512518.db2.gz XSMRYCDMQPUMCK-DNQXCXABSA-N 1 2 482.673 3.608 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC001311713188 1069514462 /nfs/dbraw/zinc/51/44/62/1069514462.db2.gz ALHMGQAJPOMHFH-FQEVSTJZSA-N 1 2 455.599 3.951 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC001311713188 1069514469 /nfs/dbraw/zinc/51/44/69/1069514469.db2.gz ALHMGQAJPOMHFH-FQEVSTJZSA-N 1 2 455.599 3.951 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)C1 ZINC001311724550 1069522162 /nfs/dbraw/zinc/52/21/62/1069522162.db2.gz VELIATSHAZDMLI-OAHLLOKOSA-N 1 2 457.402 3.830 20 0 JHADLO O=C(NCCOc1ccc(Br)cc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001311770506 1069540049 /nfs/dbraw/zinc/54/00/49/1069540049.db2.gz RIUJJTKOWQBEBK-UHFFFAOYSA-N 1 2 457.372 3.837 20 0 JHADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001306755715 1069552902 /nfs/dbraw/zinc/55/29/02/1069552902.db2.gz XSMHZTFTNNYEFJ-VGSWGCGISA-N 1 2 450.564 3.664 20 0 JHADLO CC(C)C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836881 1069572258 /nfs/dbraw/zinc/57/22/58/1069572258.db2.gz FWXPFEAGRKXGJO-KNQAVFIVSA-N 1 2 457.537 3.708 20 0 JHADLO CC(C)C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836881 1069572267 /nfs/dbraw/zinc/57/22/67/1069572267.db2.gz FWXPFEAGRKXGJO-KNQAVFIVSA-N 1 2 457.537 3.708 20 0 JHADLO CCOc1cc2c(cc1CNC(=O)N1CC[NH+](Cc3cc(C)ccc3OC)CC1)O[C@@H](C)C2 ZINC001311854863 1069581325 /nfs/dbraw/zinc/58/13/25/1069581325.db2.gz GTMDRRCGZSMDTD-IBGZPJMESA-N 1 2 453.583 3.753 20 0 JHADLO CCCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001306795749 1069601596 /nfs/dbraw/zinc/60/15/96/1069601596.db2.gz XVOUEXIFKVRDEQ-UHFFFAOYSA-N 1 2 461.570 3.753 20 0 JHADLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1cccc(C(F)(F)F)c1 ZINC001311947209 1069627650 /nfs/dbraw/zinc/62/76/50/1069627650.db2.gz KSAKZYOWZWBWRL-FQEVSTJZSA-N 1 2 451.489 3.929 20 0 JHADLO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306837024 1069652278 /nfs/dbraw/zinc/65/22/78/1069652278.db2.gz JSNXJUJKWZVQLX-FQEVSTJZSA-N 1 2 450.608 3.532 20 0 JHADLO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001306837024 1069652284 /nfs/dbraw/zinc/65/22/84/1069652284.db2.gz JSNXJUJKWZVQLX-FQEVSTJZSA-N 1 2 450.608 3.532 20 0 JHADLO CN(CCCNC(=O)OC(C)(C)C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001306876788 1069670441 /nfs/dbraw/zinc/67/04/41/1069670441.db2.gz UEMRXICFKXZTDD-GOSISDBHSA-N 1 2 454.409 3.959 20 0 JHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC001306886606 1069673948 /nfs/dbraw/zinc/67/39/48/1069673948.db2.gz GAMJYFKHXLVQJA-QFIPXVFZSA-N 1 2 453.539 3.851 20 0 JHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001306886606 1069673949 /nfs/dbraw/zinc/67/39/49/1069673949.db2.gz GAMJYFKHXLVQJA-QFIPXVFZSA-N 1 2 453.539 3.851 20 0 JHADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC001306887699 1069674623 /nfs/dbraw/zinc/67/46/23/1069674623.db2.gz ICXWILLXMKRJML-NHCUHLMSSA-N 1 2 451.405 3.773 20 0 JHADLO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)C2)cc1 ZINC001312045749 1069691168 /nfs/dbraw/zinc/69/11/68/1069691168.db2.gz JLFQCLBQXIEAJP-AZGAKELHSA-N 1 2 450.627 3.549 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)cc1 ZINC001314189730 1069748552 /nfs/dbraw/zinc/74/85/52/1069748552.db2.gz WRGIHPFBPITPEL-JGCGQSQUSA-N 1 2 461.676 3.670 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001312162050 1069758240 /nfs/dbraw/zinc/75/82/40/1069758240.db2.gz DSCUOIJGFOTPTK-REWPJTCUSA-N 1 2 457.018 3.851 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001312162044 1069758423 /nfs/dbraw/zinc/75/84/23/1069758423.db2.gz DSCUOIJGFOTPTK-NFBKMPQASA-N 1 2 457.018 3.851 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CC(F)(F)F)cc1 ZINC001314200491 1069792035 /nfs/dbraw/zinc/79/20/35/1069792035.db2.gz ULZQCPVOBHBKAL-QGZVFWFLSA-N 1 2 494.518 3.998 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1c1cccc(F)c1 ZINC001312321331 1069862186 /nfs/dbraw/zinc/86/21/86/1069862186.db2.gz QOMXQIROPGFDNA-PCCBWWKXSA-N 1 2 469.561 3.502 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001312316000 1069858566 /nfs/dbraw/zinc/85/85/66/1069858566.db2.gz MVXBEYFXCIUQOI-JXFKEZNVSA-N 1 2 455.921 3.601 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001312333704 1069869811 /nfs/dbraw/zinc/86/98/11/1069869811.db2.gz MBBCYDCHQBMPDH-DHLKQENFSA-N 1 2 453.627 3.721 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001314221452 1069872298 /nfs/dbraw/zinc/87/22/98/1069872298.db2.gz YRTVNSKQJRQEMK-FQEVSTJZSA-N 1 2 492.615 3.517 20 0 JHADLO CCC[C@H]1CN(c2nc(C(F)(F)F)ccc2I)CC[N@@H+]1CCOC ZINC001307074003 1069886856 /nfs/dbraw/zinc/88/68/56/1069886856.db2.gz ZUUMDLBCLRSLLU-LBPRGKRZSA-N 1 2 457.278 3.642 20 0 JHADLO CCC[C@H]1CN(c2nc(C(F)(F)F)ccc2I)CC[N@H+]1CCOC ZINC001307074003 1069886875 /nfs/dbraw/zinc/88/68/75/1069886875.db2.gz ZUUMDLBCLRSLLU-LBPRGKRZSA-N 1 2 457.278 3.642 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC001307204467 1069907118 /nfs/dbraw/zinc/90/71/18/1069907118.db2.gz PPNZQIAVMIEOQR-OAHLLOKOSA-N 1 2 459.348 3.999 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)CC2)nc1 ZINC001312424875 1069928060 /nfs/dbraw/zinc/92/80/60/1069928060.db2.gz FAYHWERRWUERCC-XZOQPEGZSA-N 1 2 458.990 3.705 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC001312424875 1069928071 /nfs/dbraw/zinc/92/80/71/1069928071.db2.gz FAYHWERRWUERCC-XZOQPEGZSA-N 1 2 458.990 3.705 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCS[C@H](C(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314239065 1069938731 /nfs/dbraw/zinc/93/87/31/1069938731.db2.gz CQYJHZGEZMYZII-ZBEWYHNWSA-N 1 2 465.708 3.639 20 0 JHADLO Cn1ccc([C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c2ccc(Cl)cc2)n1 ZINC001312455739 1069949821 /nfs/dbraw/zinc/94/98/21/1069949821.db2.gz KGAKRWJZCBJBIU-QHCPKHFHSA-N 1 2 453.974 3.569 20 0 JHADLO CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC001314245726 1069960208 /nfs/dbraw/zinc/96/02/08/1069960208.db2.gz GVHWAAXMILGSKW-SESVDKBCSA-N 1 2 456.635 3.711 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001307407894 1069970874 /nfs/dbraw/zinc/97/08/74/1069970874.db2.gz QARCYEVDDOWIOP-UHFFFAOYSA-N 1 2 455.536 3.870 20 0 JHADLO C[C@@H](C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415734 1069973219 /nfs/dbraw/zinc/97/32/19/1069973219.db2.gz OAUWSOKDCLRPQG-MBSDFSHPSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@@H](C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415734 1069973230 /nfs/dbraw/zinc/97/32/30/1069973230.db2.gz OAUWSOKDCLRPQG-MBSDFSHPSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@@H](C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415732 1069973414 /nfs/dbraw/zinc/97/34/14/1069973414.db2.gz OAUWSOKDCLRPQG-FDDCHVKYSA-N 1 2 455.574 3.825 20 0 JHADLO C[C@@H](C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001307415732 1069973420 /nfs/dbraw/zinc/97/34/20/1069973420.db2.gz OAUWSOKDCLRPQG-FDDCHVKYSA-N 1 2 455.574 3.825 20 0 JHADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC001307424094 1069977752 /nfs/dbraw/zinc/97/77/52/1069977752.db2.gz LYKHKEZPCUCVCB-UHFFFAOYSA-N 1 2 456.395 3.847 20 0 JHADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC001307424094 1069977763 /nfs/dbraw/zinc/97/77/63/1069977763.db2.gz LYKHKEZPCUCVCB-UHFFFAOYSA-N 1 2 456.395 3.847 20 0 JHADLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307428145 1069979876 /nfs/dbraw/zinc/97/98/76/1069979876.db2.gz MLILLTIUQLSWKW-UHFFFAOYSA-N 1 2 458.002 3.731 20 0 JHADLO CCCOCc1ccccc1CNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307428145 1069979884 /nfs/dbraw/zinc/97/98/84/1069979884.db2.gz MLILLTIUQLSWKW-UHFFFAOYSA-N 1 2 458.002 3.731 20 0 JHADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438812 1069983908 /nfs/dbraw/zinc/98/39/08/1069983908.db2.gz OLRRQUXCZJQBNR-FXAWDEMLSA-N 1 2 450.626 3.605 20 0 JHADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438812 1069983911 /nfs/dbraw/zinc/98/39/11/1069983911.db2.gz OLRRQUXCZJQBNR-FXAWDEMLSA-N 1 2 450.626 3.605 20 0 JHADLO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC001307465709 1070001616 /nfs/dbraw/zinc/00/16/16/1070001616.db2.gz FTXMFWYSVIINMD-IBGZPJMESA-N 1 2 456.755 3.796 20 0 JHADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001307490272 1070014618 /nfs/dbraw/zinc/01/46/18/1070014618.db2.gz MTZODGYJDHPEMN-UHFFFAOYSA-N 1 2 451.571 3.874 20 0 JHADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001307490272 1070014631 /nfs/dbraw/zinc/01/46/31/1070014631.db2.gz MTZODGYJDHPEMN-UHFFFAOYSA-N 1 2 451.571 3.874 20 0 JHADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1 ZINC001307518251 1070030934 /nfs/dbraw/zinc/03/09/34/1070030934.db2.gz BOJCMMWUIMWMJN-UHFFFAOYSA-N 1 2 455.580 3.986 20 0 JHADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1 ZINC001307518251 1070030950 /nfs/dbraw/zinc/03/09/50/1070030950.db2.gz BOJCMMWUIMWMJN-UHFFFAOYSA-N 1 2 455.580 3.986 20 0 JHADLO CCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314276173 1070034501 /nfs/dbraw/zinc/03/45/01/1070034501.db2.gz UFDATCDRJOFCKX-GHTZIAJQSA-N 1 2 456.541 3.927 20 0 JHADLO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001307541439 1070042854 /nfs/dbraw/zinc/04/28/54/1070042854.db2.gz GXGPEEKAZTWEDX-UHFFFAOYSA-N 1 2 452.555 3.836 20 0 JHADLO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001307541439 1070042869 /nfs/dbraw/zinc/04/28/69/1070042869.db2.gz GXGPEEKAZTWEDX-UHFFFAOYSA-N 1 2 452.555 3.836 20 0 JHADLO CC(C)OC(=O)CC[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001312629377 1070052166 /nfs/dbraw/zinc/05/21/66/1070052166.db2.gz MWNJQEMDJHJBPU-HNNXBMFYSA-N 1 2 455.353 3.571 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715875 1070091891 /nfs/dbraw/zinc/09/18/91/1070091891.db2.gz BNNALBCMNDSVBF-VQIMIIECSA-N 1 2 454.974 3.781 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715875 1070091908 /nfs/dbraw/zinc/09/19/08/1070091908.db2.gz BNNALBCMNDSVBF-VQIMIIECSA-N 1 2 454.974 3.781 20 0 JHADLO CC(C)[C@H]1C[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC001312723633 1070094629 /nfs/dbraw/zinc/09/46/29/1070094629.db2.gz CPGAIQDPUADHGG-SJLPKXTDSA-N 1 2 453.381 3.902 20 0 JHADLO CCOCc1nnc(N(CC)Cc2ccccc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001314313262 1070099887 /nfs/dbraw/zinc/09/98/87/1070099887.db2.gz HSGRBGTWLSLKBP-NRFANRHFSA-N 1 2 464.614 3.818 20 0 JHADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nn1 ZINC001307653460 1070104606 /nfs/dbraw/zinc/10/46/06/1070104606.db2.gz GZEINPAEYBKCEL-CQSZACIVSA-N 1 2 453.396 3.715 20 0 JHADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nn1 ZINC001307653460 1070104607 /nfs/dbraw/zinc/10/46/07/1070104607.db2.gz GZEINPAEYBKCEL-CQSZACIVSA-N 1 2 453.396 3.715 20 0 JHADLO CCOCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314321645 1070107227 /nfs/dbraw/zinc/10/72/27/1070107227.db2.gz NPYWKHNBSJDGAK-NRFANRHFSA-N 1 2 479.547 3.895 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314331302 1070123879 /nfs/dbraw/zinc/12/38/79/1070123879.db2.gz RWMWWMONWZOIKE-UHFFFAOYSA-N 1 2 477.613 3.709 20 0 JHADLO CC(=O)NC1CCC(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC001312797193 1070127367 /nfs/dbraw/zinc/12/73/67/1070127367.db2.gz RSAVRMISKRDEEJ-UHFFFAOYSA-N 1 2 458.603 3.829 20 0 JHADLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001307712837 1070140772 /nfs/dbraw/zinc/14/07/72/1070140772.db2.gz METNPLIRRXTWLY-MRXNPFEDSA-N 1 2 458.422 3.602 20 0 JHADLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001307712837 1070140775 /nfs/dbraw/zinc/14/07/75/1070140775.db2.gz METNPLIRRXTWLY-MRXNPFEDSA-N 1 2 458.422 3.602 20 0 JHADLO CC(C)(COc1ncccc1Br)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001312820039 1070141618 /nfs/dbraw/zinc/14/16/18/1070141618.db2.gz INZSGVSRJZJHEA-UHFFFAOYSA-N 1 2 458.360 3.746 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001307748562 1070163812 /nfs/dbraw/zinc/16/38/12/1070163812.db2.gz RXXSKDFZVXWBOR-FAKFISEUSA-N 1 2 455.624 3.739 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001307748562 1070163821 /nfs/dbraw/zinc/16/38/21/1070163821.db2.gz RXXSKDFZVXWBOR-FAKFISEUSA-N 1 2 455.624 3.739 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001307748564 1070164000 /nfs/dbraw/zinc/16/40/00/1070164000.db2.gz RXXSKDFZVXWBOR-ISHFTEKXSA-N 1 2 455.624 3.739 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001307748564 1070164007 /nfs/dbraw/zinc/16/40/07/1070164007.db2.gz RXXSKDFZVXWBOR-ISHFTEKXSA-N 1 2 455.624 3.739 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cc(F)ccc1SC ZINC001314354498 1070175504 /nfs/dbraw/zinc/17/55/04/1070175504.db2.gz FVJJCEKAPNUUOF-UHFFFAOYSA-N 1 2 456.591 3.748 20 0 JHADLO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1)C(F)(F)F ZINC001307765206 1070174579 /nfs/dbraw/zinc/17/45/79/1070174579.db2.gz CVKAWSUTLUSEJO-CVEARBPZSA-N 1 2 453.274 3.636 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@H](c3cnn(C)c3)C(C)(C)C1)C[C@H](C)CC2 ZINC001307799276 1070187055 /nfs/dbraw/zinc/18/70/55/1070187055.db2.gz LODXVEPAWXZFET-CRAIPNDOSA-N 1 2 458.628 3.847 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@H](c3cnn(C)c3)C(C)(C)C1)C[C@H](C)CC2 ZINC001307799276 1070187062 /nfs/dbraw/zinc/18/70/62/1070187062.db2.gz LODXVEPAWXZFET-CRAIPNDOSA-N 1 2 458.628 3.847 20 0 JHADLO CCOCc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314363668 1070189670 /nfs/dbraw/zinc/18/96/70/1070189670.db2.gz ZTUVDDXQCCCLJZ-XXBNENTESA-N 1 2 451.562 3.791 20 0 JHADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC001307803920 1070190585 /nfs/dbraw/zinc/19/05/85/1070190585.db2.gz UOWMWLGJFDDTGF-QFIPXVFZSA-N 1 2 456.340 3.740 20 0 JHADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC001307803920 1070190591 /nfs/dbraw/zinc/19/05/91/1070190591.db2.gz UOWMWLGJFDDTGF-QFIPXVFZSA-N 1 2 456.340 3.740 20 0 JHADLO 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O=S(=O)(c1cnn(C2CCCC2)c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001309025324 1070492093 /nfs/dbraw/zinc/49/20/93/1070492093.db2.gz JBIXFZNVOQHBGU-UHFFFAOYSA-N 1 2 456.534 3.914 20 0 JHADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(F)c1Cl ZINC001309060424 1070514631 /nfs/dbraw/zinc/51/46/31/1070514631.db2.gz MSPKGPPQFILKRB-UHFFFAOYSA-N 1 2 459.946 3.895 20 0 JHADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(F)c1Cl ZINC001309060424 1070514641 /nfs/dbraw/zinc/51/46/41/1070514641.db2.gz MSPKGPPQFILKRB-UHFFFAOYSA-N 1 2 459.946 3.895 20 0 JHADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001309161258 1070577718 /nfs/dbraw/zinc/57/77/18/1070577718.db2.gz ROPQXAQXLCCRJK-UHFFFAOYSA-N 1 2 450.988 3.720 20 0 JHADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001309161258 1070577727 /nfs/dbraw/zinc/57/77/27/1070577727.db2.gz ROPQXAQXLCCRJK-UHFFFAOYSA-N 1 2 450.988 3.720 20 0 JHADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cccc(Br)c3)CC2)cs1 ZINC001309187362 1070592962 /nfs/dbraw/zinc/59/29/62/1070592962.db2.gz CPIGJIUWYYJIOX-UHFFFAOYSA-N 1 2 458.447 3.659 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001313526699 1070602012 /nfs/dbraw/zinc/60/20/12/1070602012.db2.gz LPLTZJUISBFHOX-RBBKRZOGSA-N 1 2 456.635 3.855 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001314604359 1070659858 /nfs/dbraw/zinc/65/98/58/1070659858.db2.gz QZXQOOGPGCEEKM-QRVBRYPASA-N 1 2 497.756 3.657 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCNc2cccc[nH+]2)C1 ZINC001314626064 1070715763 /nfs/dbraw/zinc/71/57/63/1070715763.db2.gz RAQYRYUSHNCZQQ-LJQANCHMSA-N 1 2 480.617 3.626 20 0 JHADLO COc1ccc(S(=O)(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c(C)c1C ZINC001309391738 1070741113 /nfs/dbraw/zinc/74/11/13/1070741113.db2.gz SEMVDKMBPKBJCC-UHFFFAOYSA-N 1 2 452.374 3.552 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001313626982 1070756133 /nfs/dbraw/zinc/75/61/33/1070756133.db2.gz GEKNAMKERJXXKU-UHFFFAOYSA-N 1 2 495.653 3.568 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)c[nH+]1 ZINC001314659588 1070782287 /nfs/dbraw/zinc/78/22/87/1070782287.db2.gz YWLPKTJXPMBXLV-IBGZPJMESA-N 1 2 453.591 3.626 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c[nH+]1 ZINC001314661144 1070785863 /nfs/dbraw/zinc/78/58/63/1070785863.db2.gz KPYNLVFKZFRIPJ-ROUUACIJSA-N 1 2 468.524 3.577 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3ccccc3Cl)n1CCNC(=O)C(C)(C)C)C2 ZINC001314664678 1070795309 /nfs/dbraw/zinc/79/53/09/1070795309.db2.gz XGZFUVPNPUAWKI-UHFFFAOYSA-N 1 2 482.032 3.785 20 0 JHADLO CCn1cc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)nc1C ZINC001309494296 1070808619 /nfs/dbraw/zinc/80/86/19/1070808619.db2.gz VJSDOPWJMTUUMG-INIZCTEOSA-N 1 2 452.930 3.769 20 0 JHADLO CCn1cc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)nc1C ZINC001309494296 1070808654 /nfs/dbraw/zinc/80/86/54/1070808654.db2.gz VJSDOPWJMTUUMG-INIZCTEOSA-N 1 2 452.930 3.769 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(CC2CCCC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314708369 1070881726 /nfs/dbraw/zinc/88/17/26/1070881726.db2.gz FPKNNIRICLZJLH-FQEVSTJZSA-N 1 2 476.616 3.943 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)C2)c[nH+]1 ZINC001313672145 1070902246 /nfs/dbraw/zinc/90/22/46/1070902246.db2.gz BZLCAUACXHEJKU-UHFFFAOYSA-N 1 2 491.640 3.548 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001313673259 1070906603 /nfs/dbraw/zinc/90/66/03/1070906603.db2.gz KPRSTYVYLNTYRM-RBUKOAKNSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313676729 1070922945 /nfs/dbraw/zinc/92/29/45/1070922945.db2.gz CYIUZQFYAITNEI-HXUWFJFHSA-N 1 2 494.644 3.677 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001313677528 1070925463 /nfs/dbraw/zinc/92/54/63/1070925463.db2.gz SLOXMFIKSDVTCK-GOSISDBHSA-N 1 2 464.492 3.904 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(C)=O)CC2)c[nH+]1 ZINC001313677702 1070926021 /nfs/dbraw/zinc/92/60/21/1070926021.db2.gz VSLZBYZHZUBELO-UHFFFAOYSA-N 1 2 485.995 3.696 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)c[nH+]1 ZINC001313678673 1070930866 /nfs/dbraw/zinc/93/08/66/1070930866.db2.gz JVCNCIRHOQXMBY-NRFANRHFSA-N 1 2 491.640 3.512 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)c[nH+]1 ZINC001313678804 1070931522 /nfs/dbraw/zinc/93/15/22/1070931522.db2.gz JDVDZOCECSEQOT-NRFANRHFSA-N 1 2 481.670 3.572 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001313679259 1070934762 /nfs/dbraw/zinc/93/47/62/1070934762.db2.gz PPTLLWPQIJTTNY-LJQANCHMSA-N 1 2 499.015 3.799 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001313679340 1070934859 /nfs/dbraw/zinc/93/48/59/1070934859.db2.gz IPFJLVKYEHNUHI-LJQANCHMSA-N 1 2 493.578 3.730 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001313680180 1070937777 /nfs/dbraw/zinc/93/77/77/1070937777.db2.gz XHMORROOSYZIHR-JOCHJYFZSA-N 1 2 492.624 3.763 20 0 JHADLO CN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314768192 1071030561 /nfs/dbraw/zinc/03/05/61/1071030561.db2.gz NQUKBVSCWRHJMR-ZWKOTPCHSA-N 1 2 460.554 3.508 20 0 JHADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N(Cc2ccccc2)CC2CCOCC2)CC1 ZINC001310012288 1071056723 /nfs/dbraw/zinc/05/67/23/1071056723.db2.gz DKPJASCVIMMGKV-UHFFFAOYSA-N 1 2 450.583 3.535 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC001310008538 1071054877 /nfs/dbraw/zinc/05/48/77/1071054877.db2.gz GBPISESECBICGE-MRXNPFEDSA-N 1 2 458.481 3.744 20 0 JHADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H]3c4ccccc4C[N@H+]3C)cc2)C1 ZINC001310044039 1071080493 /nfs/dbraw/zinc/08/04/93/1071080493.db2.gz XLIPGUQLHFFHOL-PNCHPQGNSA-N 1 2 456.612 3.661 20 0 JHADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)cc2)C1 ZINC001310044039 1071080504 /nfs/dbraw/zinc/08/05/04/1071080504.db2.gz XLIPGUQLHFFHOL-PNCHPQGNSA-N 1 2 456.612 3.661 20 0 JHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001310104508 1071120398 /nfs/dbraw/zinc/12/03/98/1071120398.db2.gz QDILNKMXZZJOSK-UHFFFAOYSA-N 1 2 452.603 3.914 20 0 JHADLO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001310104508 1071120407 /nfs/dbraw/zinc/12/04/07/1071120407.db2.gz QDILNKMXZZJOSK-UHFFFAOYSA-N 1 2 452.603 3.914 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cccc(C)[nH+]1 ZINC001313775581 1071131786 /nfs/dbraw/zinc/13/17/86/1071131786.db2.gz IHYXYIMQFBXRBP-QFIPXVFZSA-N 1 2 483.638 3.690 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCCS1 ZINC001313777798 1071137064 /nfs/dbraw/zinc/13/70/64/1071137064.db2.gz BRENGXHLOCKJKO-VWLOTQADSA-N 1 2 485.702 3.840 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)(C)C)n1Cc1cccn(CC)c1=O ZINC001313779343 1071141864 /nfs/dbraw/zinc/14/18/64/1071141864.db2.gz NJKBLMACHOQALM-UHFFFAOYSA-N 1 2 477.657 3.943 20 0 JHADLO COc1cc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCCO ZINC001310138001 1071146364 /nfs/dbraw/zinc/14/63/64/1071146364.db2.gz AWCAZMWNWRCTDS-QRVBRYPASA-N 1 2 457.571 3.558 20 0 JHADLO C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140809 1071149434 /nfs/dbraw/zinc/14/94/34/1071149434.db2.gz WLQAHNFIXQAKTE-QRVBRYPASA-N 1 2 459.612 3.625 20 0 JHADLO C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140809 1071149440 /nfs/dbraw/zinc/14/94/40/1071149440.db2.gz WLQAHNFIXQAKTE-QRVBRYPASA-N 1 2 459.612 3.625 20 0 JHADLO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001313792146 1071188190 /nfs/dbraw/zinc/18/81/90/1071188190.db2.gz YCWYPQWFSSMLOI-UHFFFAOYSA-N 1 2 467.643 3.590 20 0 JHADLO CN(CCn1c(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001314867431 1071273750 /nfs/dbraw/zinc/27/37/50/1071273750.db2.gz YQRDZHLJLHYWAG-KRWDZBQOSA-N 1 2 488.624 3.641 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Cl)n1Cc1cccc(Br)n1 ZINC001314870372 1071280905 /nfs/dbraw/zinc/28/09/05/1071280905.db2.gz CZJMMZDMZDEZCX-UHFFFAOYSA-N 1 2 491.821 3.573 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCC1(F)F ZINC001314870947 1071282670 /nfs/dbraw/zinc/28/26/70/1071282670.db2.gz YEMDWLUPJCVKPO-HNNXBMFYSA-N 1 2 487.393 3.630 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCC1(F)F ZINC001314870949 1071282757 /nfs/dbraw/zinc/28/27/57/1071282757.db2.gz YEMDWLUPJCVKPO-OAHLLOKOSA-N 1 2 487.393 3.630 20 0 JHADLO C[S@](=O)c1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC001310304223 1071287255 /nfs/dbraw/zinc/28/72/55/1071287255.db2.gz CPFZZBFKYJYWEK-MHZLTWQESA-N 1 2 451.346 3.710 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(C)(F)F ZINC001314873196 1071289903 /nfs/dbraw/zinc/28/99/03/1071289903.db2.gz BNNRPBLVQJGVAK-UHFFFAOYSA-N 1 2 478.371 3.978 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001314873546 1071290911 /nfs/dbraw/zinc/29/09/11/1071290911.db2.gz HOLQDHQPURIDEN-QGZVFWFLSA-N 1 2 469.964 3.714 20 0 JHADLO CN(CCS(C)(=O)=O)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNc1cccc[nH+]1 ZINC001314886144 1071315565 /nfs/dbraw/zinc/31/55/65/1071315565.db2.gz MWWQOFPZDUGHLA-UHFFFAOYSA-N 1 2 488.683 3.654 20 0 JHADLO CCCCn1ccnc1-c1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)c1 ZINC001310409652 1071373765 /nfs/dbraw/zinc/37/37/65/1071373765.db2.gz XXSRYESJSJEIOH-UHFFFAOYSA-N 1 2 455.603 3.742 20 0 JHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCc1ccc(Br)cc1F ZINC001310417827 1071378440 /nfs/dbraw/zinc/37/84/40/1071378440.db2.gz HPAAEKHRASAIEL-UHFFFAOYSA-N 1 2 451.340 3.883 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001310464171 1071406759 /nfs/dbraw/zinc/40/67/59/1071406759.db2.gz PVIYEJFLENQNGO-PZJWPPBQSA-N 1 2 469.586 3.989 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926459 1071576792 /nfs/dbraw/zinc/57/67/92/1071576792.db2.gz CJJDRFISSPYSFX-OFNKIYASSA-N 1 2 490.693 3.600 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313926657 1071576992 /nfs/dbraw/zinc/57/69/92/1071576992.db2.gz DYGMMHIQORTVBS-GOTSBHOMSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929076 1071585974 /nfs/dbraw/zinc/58/59/74/1071585974.db2.gz XIPQVWIKTLRMJA-QHCPKHFHSA-N 1 2 454.663 3.736 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001313932674 1071596524 /nfs/dbraw/zinc/59/65/24/1071596524.db2.gz LSCUKOCPHADBIO-UXHICEINSA-N 1 2 473.687 3.598 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001313932674 1071596529 /nfs/dbraw/zinc/59/65/29/1071596529.db2.gz LSCUKOCPHADBIO-UXHICEINSA-N 1 2 473.687 3.598 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001305948679 1068270653 /nfs/dbraw/zinc/27/06/53/1068270653.db2.gz XUABGWLFQAPHBZ-UHFFFAOYSA-N 1 2 481.670 3.509 20 0 JHADLO CCc1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)s1 ZINC001305962941 1068295667 /nfs/dbraw/zinc/29/56/67/1068295667.db2.gz VILUBPWBPLPTHC-UHFFFAOYSA-N 1 2 496.681 3.616 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001306003423 1068378639 /nfs/dbraw/zinc/37/86/39/1068378639.db2.gz PMYLUKMVRSXHBZ-MRXNPFEDSA-N 1 2 465.631 3.713 20 0 JHADLO CCc1nc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)cs1 ZINC001306031426 1068432227 /nfs/dbraw/zinc/43/22/27/1068432227.db2.gz QDWRDNHEMVDXSB-KRWDZBQOSA-N 1 2 475.062 3.898 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001306046583 1068468480 /nfs/dbraw/zinc/46/84/80/1068468480.db2.gz SECIUJCQZGKOBV-JOCHJYFZSA-N 1 2 485.702 3.879 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001306047945 1068471677 /nfs/dbraw/zinc/47/16/77/1068471677.db2.gz YSHNTQOEUWNHFJ-QGZVFWFLSA-N 1 2 470.691 3.785 20 0 JHADLO CCc1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306078190 1068509350 /nfs/dbraw/zinc/50/93/50/1068509350.db2.gz LFUSMZJJCBGQLB-MRXNPFEDSA-N 1 2 458.969 3.938 20 0 JHADLO CCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306144330 1068546863 /nfs/dbraw/zinc/54/68/63/1068546863.db2.gz PBLOYGVJZWGYEG-UHFFFAOYSA-N 1 2 469.634 3.768 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306279751 1068694833 /nfs/dbraw/zinc/69/48/33/1068694833.db2.gz POFXKJXULQBMPH-YPAWHYETSA-N 1 2 470.662 3.517 20 0 JHADLO CC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306348151 1068785131 /nfs/dbraw/zinc/78/51/31/1068785131.db2.gz SQUICFDMGATHKT-PXDATVDWSA-N 1 2 456.635 3.987 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306497356 1069046259 /nfs/dbraw/zinc/04/62/59/1069046259.db2.gz UZLNXNBSNOFTKF-JRFVFWCSSA-N 1 2 482.673 3.750 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CC1 ZINC001310617301 1069061321 /nfs/dbraw/zinc/06/13/21/1069061321.db2.gz JPFUJOUQKPTERO-UHFFFAOYSA-N 1 2 453.587 3.752 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306507226 1069090553 /nfs/dbraw/zinc/09/05/53/1069090553.db2.gz QKAHZPRJJQKZRV-IBGZPJMESA-N 1 2 497.594 3.542 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306507897 1069093914 /nfs/dbraw/zinc/09/39/14/1069093914.db2.gz VNCBXDGRZLGQAC-OAQYLSRUSA-N 1 2 483.016 3.859 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)C2)c1 ZINC001310672278 1069100659 /nfs/dbraw/zinc/10/06/59/1069100659.db2.gz JJCPSMLWAGPAIP-LJQANCHMSA-N 1 2 455.509 3.696 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)C2)c1 ZINC001310672278 1069100665 /nfs/dbraw/zinc/10/06/65/1069100665.db2.gz JJCPSMLWAGPAIP-LJQANCHMSA-N 1 2 455.509 3.696 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001306518488 1069133116 /nfs/dbraw/zinc/13/31/16/1069133116.db2.gz NBDMNJFXUJGICP-FXAWDEMLSA-N 1 2 462.589 3.554 20 0 JHADLO CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2F)ccn1 ZINC001310839190 1069186816 /nfs/dbraw/zinc/18/68/16/1069186816.db2.gz DZYFZQHIANABRC-OAHLLOKOSA-N 1 2 452.490 3.518 20 0 JHADLO CCC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001306546647 1069204177 /nfs/dbraw/zinc/20/41/77/1069204177.db2.gz ZZPNEJLURSDSJJ-DEOSSOPVSA-N 1 2 471.005 3.783 20 0 JHADLO COc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991889 1069242792 /nfs/dbraw/zinc/24/27/92/1069242792.db2.gz PUDNSTPIQIGIJX-DOTOQJQBSA-N 1 2 458.868 3.956 20 0 JHADLO COc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991889 1069242802 /nfs/dbraw/zinc/24/28/02/1069242802.db2.gz PUDNSTPIQIGIJX-DOTOQJQBSA-N 1 2 458.868 3.956 20 0 JHADLO C[C@@H](NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC001311006549 1069246251 /nfs/dbraw/zinc/24/62/51/1069246251.db2.gz JWHKNPAWOLDPOR-NXEZZACHSA-N 1 2 458.250 3.718 20 0 JHADLO CCC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306591098 1069260416 /nfs/dbraw/zinc/26/04/16/1069260416.db2.gz VVJOYZOSUNHIKK-IBGZPJMESA-N 1 2 452.607 3.637 20 0 JHADLO CCC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306591076 1069260463 /nfs/dbraw/zinc/26/04/63/1069260463.db2.gz VNMOWHRQCYLYDT-FQEVSTJZSA-N 1 2 466.634 3.647 20 0 JHADLO CCCC(O)(CCC)Cn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306595577 1069268748 /nfs/dbraw/zinc/26/87/48/1069268748.db2.gz LYZUGRGFGHDRTL-UHFFFAOYSA-N 1 2 451.619 3.639 20 0 JHADLO CCCC(O)(CCC)Cn1c([C@H]2CCCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306596585 1069270734 /nfs/dbraw/zinc/27/07/34/1069270734.db2.gz CDUFGRKEUPPKEK-FQEVSTJZSA-N 1 2 456.635 3.527 20 0 JHADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@@H](C)CO1 ZINC001311098831 1069273524 /nfs/dbraw/zinc/27/35/24/1069273524.db2.gz VUQQWAWVLPSALB-GJZGRUSLSA-N 1 2 451.493 3.999 20 0 JHADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@@H](C)CO1 ZINC001311098831 1069273531 /nfs/dbraw/zinc/27/35/31/1069273531.db2.gz VUQQWAWVLPSALB-GJZGRUSLSA-N 1 2 451.493 3.999 20 0 JHADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@@H](C)CO1 ZINC001311098833 1069273594 /nfs/dbraw/zinc/27/35/94/1069273594.db2.gz VUQQWAWVLPSALB-LSDHHAIUSA-N 1 2 451.493 3.999 20 0 JHADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@@H](C)CO1 ZINC001311098833 1069273601 /nfs/dbraw/zinc/27/36/01/1069273601.db2.gz VUQQWAWVLPSALB-LSDHHAIUSA-N 1 2 451.493 3.999 20 0 JHADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164415805 718889971 /nfs/dbraw/zinc/88/99/71/718889971.db2.gz BOHPXFCGOUUQPQ-GFCCVEGCSA-N 1 2 487.736 3.729 20 0 JHADLO Nc1cc(Cl)nc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164416275 718890579 /nfs/dbraw/zinc/89/05/79/718890579.db2.gz CQQJPTYNILOLGM-GFCCVEGCSA-N 1 2 458.694 3.850 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164663122 719346078 /nfs/dbraw/zinc/34/60/78/719346078.db2.gz DTSYMZXHYJYEBY-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164663122 719346081 /nfs/dbraw/zinc/34/60/81/719346081.db2.gz DTSYMZXHYJYEBY-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164664061 719350713 /nfs/dbraw/zinc/35/07/13/719350713.db2.gz PKJMYAMTXLJXQI-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164664061 719350715 /nfs/dbraw/zinc/35/07/15/719350715.db2.gz PKJMYAMTXLJXQI-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OCCOC)ccn1)CC2 ZINC001164663070 719355272 /nfs/dbraw/zinc/35/52/72/719355272.db2.gz BZVOZMNCUOUHGN-UHFFFAOYSA-N 1 2 475.593 3.580 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OCCOC)ccn1)CC2 ZINC001164663070 719355275 /nfs/dbraw/zinc/35/52/75/719355275.db2.gz BZVOZMNCUOUHGN-UHFFFAOYSA-N 1 2 475.593 3.580 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164663341 719355281 /nfs/dbraw/zinc/35/52/81/719355281.db2.gz CZDGZVXEVNQNDZ-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164663341 719355284 /nfs/dbraw/zinc/35/52/84/719355284.db2.gz CZDGZVXEVNQNDZ-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC3)cc1 ZINC001164678595 719532125 /nfs/dbraw/zinc/53/21/25/719532125.db2.gz MCBSOHWSNAPCIL-UHFFFAOYSA-N 1 2 496.414 3.631 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC3)cc1 ZINC001164678595 719532138 /nfs/dbraw/zinc/53/21/38/719532138.db2.gz MCBSOHWSNAPCIL-UHFFFAOYSA-N 1 2 496.414 3.631 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164703936 719849805 /nfs/dbraw/zinc/84/98/05/719849805.db2.gz RICAFORTSNHGPF-VBKZILBWSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001164705364 719878274 /nfs/dbraw/zinc/87/82/74/719878274.db2.gz YIEJHDWHUIIOPJ-AOMKIAJQSA-N 1 2 481.380 3.808 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cs1 ZINC001164816043 720251036 /nfs/dbraw/zinc/25/10/36/720251036.db2.gz FQHKZAAUPZKGIO-BJKOFHAPSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cs1 ZINC001164816043 720251043 /nfs/dbraw/zinc/25/10/43/720251043.db2.gz FQHKZAAUPZKGIO-BJKOFHAPSA-N 1 2 474.634 3.570 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C2)C1 ZINC001164720978 720299488 /nfs/dbraw/zinc/29/94/88/720299488.db2.gz GPNHMBCJTWAOBW-HSZRJFAPSA-N 1 2 496.961 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C2)C1 ZINC001164720978 720299503 /nfs/dbraw/zinc/29/95/03/720299503.db2.gz GPNHMBCJTWAOBW-HSZRJFAPSA-N 1 2 496.961 3.751 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C2)C1 ZINC001164726515 720309692 /nfs/dbraw/zinc/30/96/92/720309692.db2.gz ZXRRDCCPEXQDKH-XMMPIXPASA-N 1 2 492.998 3.920 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C2)C1 ZINC001164726515 720309700 /nfs/dbraw/zinc/30/97/00/720309700.db2.gz ZXRRDCCPEXQDKH-XMMPIXPASA-N 1 2 492.998 3.920 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cccc(C)c5)nn4)CC3)C2=O)cs1 ZINC001164820635 720379686 /nfs/dbraw/zinc/37/96/86/720379686.db2.gz QHGKENUHZQSMAJ-UHFFFAOYSA-N 1 2 462.623 3.530 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cccc(C)c5)nn4)CC3)C2=O)cs1 ZINC001164820635 720379695 /nfs/dbraw/zinc/37/96/95/720379695.db2.gz QHGKENUHZQSMAJ-UHFFFAOYSA-N 1 2 462.623 3.530 20 0 JHADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826137 720399546 /nfs/dbraw/zinc/39/95/46/720399546.db2.gz BVSVVWDFQMGBAK-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729333 720419322 /nfs/dbraw/zinc/41/93/22/720419322.db2.gz HADTZOUEACODBZ-XZOQPEGZSA-N 1 2 479.606 3.529 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729333 720419323 /nfs/dbraw/zinc/41/93/23/720419323.db2.gz HADTZOUEACODBZ-XZOQPEGZSA-N 1 2 479.606 3.529 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccc(Cl)c3n1)C2 ZINC001164832167 720479051 /nfs/dbraw/zinc/47/90/51/720479051.db2.gz IWYHFFXTNRTFMV-INIZCTEOSA-N 1 2 476.408 3.728 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccc3ccc(Cl)nc31)C2 ZINC001164834137 720481578 /nfs/dbraw/zinc/48/15/78/720481578.db2.gz RXLLUJFZDFGTLV-KRWDZBQOSA-N 1 2 476.408 3.728 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736206 720537971 /nfs/dbraw/zinc/53/79/71/720537971.db2.gz VXVKKRLCULOMJS-LXFBAYGMSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736206 720537980 /nfs/dbraw/zinc/53/79/80/720537980.db2.gz VXVKKRLCULOMJS-LXFBAYGMSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@@H]54)c3C2)cc1 ZINC001164845687 720771071 /nfs/dbraw/zinc/77/10/71/720771071.db2.gz GEIYVSQJPGPBFO-NPAAKHOSSA-N 1 2 471.605 3.773 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@@H]54)c3C2)cc1 ZINC001164845687 720771086 /nfs/dbraw/zinc/77/10/86/720771086.db2.gz GEIYVSQJPGPBFO-NPAAKHOSSA-N 1 2 471.605 3.773 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164857733 720895192 /nfs/dbraw/zinc/89/51/92/720895192.db2.gz JJLVVVYEOUMKSW-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164755773 720973548 /nfs/dbraw/zinc/97/35/48/720973548.db2.gz BTUQORZXVKEMRT-OAQYLSRUSA-N 1 2 479.028 3.948 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@]5(C[C@@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760867 721026451 /nfs/dbraw/zinc/02/64/51/721026451.db2.gz QBKDBAIMHIOKLK-YWEHKCAJSA-N 1 2 471.605 3.775 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@]5(C[C@@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760867 721026458 /nfs/dbraw/zinc/02/64/58/721026458.db2.gz QBKDBAIMHIOKLK-YWEHKCAJSA-N 1 2 471.605 3.775 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@H]54)c3C2)cc1 ZINC001164871973 721246107 /nfs/dbraw/zinc/24/61/07/721246107.db2.gz CKQGTDXZOVYTAX-RCXJIHSJSA-N 1 2 457.578 3.635 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@H]54)c3C2)cc1 ZINC001164871973 721246115 /nfs/dbraw/zinc/24/61/15/721246115.db2.gz CKQGTDXZOVYTAX-RCXJIHSJSA-N 1 2 457.578 3.635 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164766053 721273614 /nfs/dbraw/zinc/27/36/14/721273614.db2.gz MRJFTJCLAWAMRE-FQEVSTJZSA-N 1 2 487.995 3.953 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[C@@]4(CCN(CC)C4=O)C3)c2c1C ZINC001164776125 721320513 /nfs/dbraw/zinc/32/05/13/721320513.db2.gz CEHRFFLEGDDHIW-WGDIFIGCSA-N 1 2 499.681 3.857 20 0 JHADLO COc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001165012010 721720532 /nfs/dbraw/zinc/72/05/32/721720532.db2.gz YNDBVCZFRJNAGG-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO COc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001165012010 721720538 /nfs/dbraw/zinc/72/05/38/721720538.db2.gz YNDBVCZFRJNAGG-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914347 721793969 /nfs/dbraw/zinc/79/39/69/721793969.db2.gz MAWLAAHEJHZYOE-DEOSSOPVSA-N 1 2 485.947 3.564 20 0 JHADLO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914347 721793970 /nfs/dbraw/zinc/79/39/70/721793970.db2.gz MAWLAAHEJHZYOE-DEOSSOPVSA-N 1 2 485.947 3.564 20 0 JHADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913753 721797536 /nfs/dbraw/zinc/79/75/36/721797536.db2.gz GVGSNGDPVDGNOX-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913753 721797538 /nfs/dbraw/zinc/79/75/38/721797538.db2.gz GVGSNGDPVDGNOX-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913517 721800311 /nfs/dbraw/zinc/80/03/11/721800311.db2.gz DZZORSNDORZQHM-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913517 721800312 /nfs/dbraw/zinc/80/03/12/721800312.db2.gz DZZORSNDORZQHM-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913808 721800405 /nfs/dbraw/zinc/80/04/05/721800405.db2.gz HPNFOFJZSXKDDZ-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913808 721800406 /nfs/dbraw/zinc/80/04/06/721800406.db2.gz HPNFOFJZSXKDDZ-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913169 721800547 /nfs/dbraw/zinc/80/05/47/721800547.db2.gz AEBXDGIZXYDVPV-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913169 721800548 /nfs/dbraw/zinc/80/05/48/721800548.db2.gz AEBXDGIZXYDVPV-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC001164919190 721820266 /nfs/dbraw/zinc/82/02/66/721820266.db2.gz NZUVPPUSCHUFAR-UHFFFAOYSA-N 1 2 486.649 3.973 20 0 JHADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)Nc1c2cccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165022575 721833097 /nfs/dbraw/zinc/83/30/97/721833097.db2.gz QNDVCQNKHAWDFL-UHFFFAOYSA-N 1 2 499.590 3.669 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164945155 721974204 /nfs/dbraw/zinc/97/42/04/721974204.db2.gz FDNLVXQJFXAPGH-UHFFFAOYSA-N 1 2 477.996 3.680 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164945155 721974207 /nfs/dbraw/zinc/97/42/07/721974207.db2.gz FDNLVXQJFXAPGH-UHFFFAOYSA-N 1 2 477.996 3.680 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164951404 721979335 /nfs/dbraw/zinc/97/93/35/721979335.db2.gz YXMZDXMVBQIKNU-UHFFFAOYSA-N 1 2 465.960 3.907 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164951404 721979340 /nfs/dbraw/zinc/97/93/40/721979340.db2.gz YXMZDXMVBQIKNU-UHFFFAOYSA-N 1 2 465.960 3.907 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164950019 721979577 /nfs/dbraw/zinc/97/95/77/721979577.db2.gz SEWYTAIOBXESLC-RUZDIDTESA-N 1 2 495.986 3.896 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164950019 721979579 /nfs/dbraw/zinc/97/95/79/721979579.db2.gz SEWYTAIOBXESLC-RUZDIDTESA-N 1 2 495.986 3.896 20 0 JHADLO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2C)cc1 ZINC001164948327 721980831 /nfs/dbraw/zinc/98/08/31/721980831.db2.gz KYFGICHHBUEUIP-UHFFFAOYSA-N 1 2 485.632 3.664 20 0 JHADLO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2C)cc1 ZINC001164948327 721980833 /nfs/dbraw/zinc/98/08/33/721980833.db2.gz KYFGICHHBUEUIP-UHFFFAOYSA-N 1 2 485.632 3.664 20 0 JHADLO COc1cc2ccc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)[nH+]c2cc1OC ZINC001164986931 722183760 /nfs/dbraw/zinc/18/37/60/722183760.db2.gz FVXOIOAGWSHLLA-SFTDATJTSA-N 1 2 454.596 3.887 20 0 JHADLO Cc1cc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1S(=O)(=O)N(C)C ZINC001311280990 1069314699 /nfs/dbraw/zinc/31/46/99/1069314699.db2.gz ZZGGWOAVUIWUDV-UHFFFAOYSA-N 1 2 451.552 3.805 20 0 JHADLO O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311350563 1069336952 /nfs/dbraw/zinc/33/69/52/1069336952.db2.gz UXOLVGUSNBBKQD-HXUWFJFHSA-N 1 2 452.382 3.710 20 0 JHADLO O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311350563 1069336959 /nfs/dbraw/zinc/33/69/59/1069336959.db2.gz UXOLVGUSNBBKQD-HXUWFJFHSA-N 1 2 452.382 3.710 20 0 JHADLO CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001306634830 1069341013 /nfs/dbraw/zinc/34/10/13/1069341013.db2.gz OAQHDRYSZYMYGL-UHFFFAOYSA-N 1 2 477.613 3.766 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001311372742 1069348787 /nfs/dbraw/zinc/34/87/87/1069348787.db2.gz GZLXSHBJEJBGBS-CRAIPNDOSA-N 1 2 454.974 3.925 20 0 JHADLO CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001306644233 1069355342 /nfs/dbraw/zinc/35/53/42/1069355342.db2.gz HOBBEZHJEHYVCL-MRXNPFEDSA-N 1 2 463.001 3.717 20 0 JHADLO Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2)cc1 ZINC001311437943 1069379296 /nfs/dbraw/zinc/37/92/96/1069379296.db2.gz QTJLWSOMSGUJHI-QHCPKHFHSA-N 1 2 459.594 3.823 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCOc3ccc(Cl)cc3)[nH+]c12 ZINC001311439849 1069380386 /nfs/dbraw/zinc/38/03/86/1069380386.db2.gz WFHOMYPGPRCOQD-UHFFFAOYSA-N 1 2 451.752 3.979 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCC[C@@H](O)C(F)F)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311450241 1069384659 /nfs/dbraw/zinc/38/46/59/1069384659.db2.gz BMOMTWGXFGWSJZ-ZWKOTPCHSA-N 1 2 455.596 3.885 20 0 JHADLO CSc1ccc([C@H](CNC(=O)NCC[C@@H](O)C(F)F)[N@H+]2CCc3sccc3C2)cc1 ZINC001311450241 1069384665 /nfs/dbraw/zinc/38/46/65/1069384665.db2.gz BMOMTWGXFGWSJZ-ZWKOTPCHSA-N 1 2 455.596 3.885 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)NCc2ccc(OC3CCCC3)cc2)CC1)Nc1ccccc1 ZINC001311516894 1069418811 /nfs/dbraw/zinc/41/88/11/1069418811.db2.gz BQZHXMFBOUPNFS-UHFFFAOYSA-N 1 2 450.583 3.910 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001311531447 1069425734 /nfs/dbraw/zinc/42/57/34/1069425734.db2.gz BPNSVJYXWSMUAK-HXUWFJFHSA-N 1 2 456.896 3.975 20 0 JHADLO O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC001311544646 1069432472 /nfs/dbraw/zinc/43/24/72/1069432472.db2.gz FGIAXWOTDJUODD-OAQYLSRUSA-N 1 2 452.382 3.749 20 0 JHADLO CCCc1ccc([C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c2cccs2)cc1 ZINC001311552974 1069436169 /nfs/dbraw/zinc/43/61/69/1069436169.db2.gz IRQPDHODTBGYDO-RDGATRHJSA-N 1 2 457.640 3.705 20 0 JHADLO CCCc1ccc([C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c2cccs2)cc1 ZINC001311552974 1069436172 /nfs/dbraw/zinc/43/61/72/1069436172.db2.gz IRQPDHODTBGYDO-RDGATRHJSA-N 1 2 457.640 3.705 20 0 JHADLO C[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1OCc1ccccc1 ZINC001311701837 1069510585 /nfs/dbraw/zinc/51/05/85/1069510585.db2.gz XIQQJHXZVVPTOH-NLFFAJNJSA-N 1 2 455.624 3.834 20 0 JHADLO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001306743821 1069523213 /nfs/dbraw/zinc/52/32/13/1069523213.db2.gz SZKPNDBQGITOMY-UHFFFAOYSA-N 1 2 451.619 3.599 20 0 JHADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001311871262 1069589173 /nfs/dbraw/zinc/58/91/73/1069589173.db2.gz DAOWRVQMEXJKLK-UHFFFAOYSA-N 1 2 451.571 3.509 20 0 JHADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001311871262 1069589181 /nfs/dbraw/zinc/58/91/81/1069589181.db2.gz DAOWRVQMEXJKLK-UHFFFAOYSA-N 1 2 451.571 3.509 20 0 JHADLO CCCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001306795169 1069601628 /nfs/dbraw/zinc/60/16/28/1069601628.db2.gz VKCUUEHSAAZONZ-GOSISDBHSA-N 1 2 460.529 3.823 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001311922635 1069614028 /nfs/dbraw/zinc/61/40/28/1069614028.db2.gz JGUIZJHGDVGGTJ-JOCHJYFZSA-N 1 2 452.580 3.647 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311953343 1069632445 /nfs/dbraw/zinc/63/24/45/1069632445.db2.gz KIJAEUUCHXXICJ-HXUWFJFHSA-N 1 2 453.002 3.732 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311953343 1069632449 /nfs/dbraw/zinc/63/24/49/1069632449.db2.gz KIJAEUUCHXXICJ-HXUWFJFHSA-N 1 2 453.002 3.732 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306815056 1069636358 /nfs/dbraw/zinc/63/63/58/1069636358.db2.gz UMNRIHZKFDECBV-AZUAARDMSA-N 1 2 463.573 3.588 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306815057 1069636397 /nfs/dbraw/zinc/63/63/97/1069636397.db2.gz UMNRIHZKFDECBV-ICSRJNTNSA-N 1 2 463.573 3.588 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001311958924 1069636606 /nfs/dbraw/zinc/63/66/06/1069636606.db2.gz MZDZIWRLJOIMRG-URXFXBBRSA-N 1 2 454.590 3.727 20 0 JHADLO CCOc1cc(Cn2c(N3CCN(c4cccc[nH+]4)CC3)nnc2C(C)(C)C)ccc1OC ZINC001314165760 1069663728 /nfs/dbraw/zinc/66/37/28/1069663728.db2.gz PSNLUKMYQIKQQO-UHFFFAOYSA-N 1 2 450.587 3.753 20 0 JHADLO CCOc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)C(F)(F)F)cc1OC ZINC001314165936 1069663732 /nfs/dbraw/zinc/66/37/32/1069663732.db2.gz GQPHZDTZAXJPTQ-UHFFFAOYSA-N 1 2 485.551 3.709 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC001312255571 1069813070 /nfs/dbraw/zinc/81/30/70/1069813070.db2.gz CQWNRMCTTCLPKF-ZJSXRUAMSA-N 1 2 458.628 3.938 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)O[C@@H](C)C2 ZINC001312328585 1069867131 /nfs/dbraw/zinc/86/71/31/1069867131.db2.gz YZCKFDLIGQQZDS-UQDCGMOVSA-N 1 2 459.974 3.543 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)O[C@@H](C)C2 ZINC001312328585 1069867151 /nfs/dbraw/zinc/86/71/51/1069867151.db2.gz YZCKFDLIGQQZDS-UQDCGMOVSA-N 1 2 459.974 3.543 20 0 JHADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)CCS2 ZINC001312349707 1069879458 /nfs/dbraw/zinc/87/94/58/1069879458.db2.gz HGBBSTKPTIRMGM-MWNKXFNGSA-N 1 2 456.612 3.758 20 0 JHADLO Cc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492479331 1069897035 /nfs/dbraw/zinc/89/70/35/1069897035.db2.gz FBOIMOGMCBJYFL-ZEQRLZLVSA-N 1 2 485.673 3.805 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426857 1069930138 /nfs/dbraw/zinc/93/01/38/1069930138.db2.gz SWEAFHWSVMOUAW-GOTSBHOMSA-N 1 2 458.002 3.803 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426857 1069930147 /nfs/dbraw/zinc/93/01/47/1069930147.db2.gz SWEAFHWSVMOUAW-GOTSBHOMSA-N 1 2 458.002 3.803 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)CC2)nc1 ZINC001312424873 1069928190 /nfs/dbraw/zinc/92/81/90/1069928190.db2.gz FAYHWERRWUERCC-GOTSBHOMSA-N 1 2 458.990 3.705 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC001312424873 1069928196 /nfs/dbraw/zinc/92/81/96/1069928196.db2.gz FAYHWERRWUERCC-GOTSBHOMSA-N 1 2 458.990 3.705 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427639 1069930893 /nfs/dbraw/zinc/93/08/93/1069930893.db2.gz XLXYFDLFLVFVFW-VWPQPMDRSA-N 1 2 452.382 3.572 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427639 1069930900 /nfs/dbraw/zinc/93/09/00/1069930900.db2.gz XLXYFDLFLVFVFW-VWPQPMDRSA-N 1 2 452.382 3.572 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@H](C)n2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301651 1069932617 /nfs/dbraw/zinc/93/26/17/1069932617.db2.gz NQPIGYDUDDLBHE-FXAWDEMLSA-N 1 2 454.962 3.717 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@H](C)n2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301651 1069932628 /nfs/dbraw/zinc/93/26/28/1069932628.db2.gz NQPIGYDUDDLBHE-FXAWDEMLSA-N 1 2 454.962 3.717 20 0 JHADLO CCOC1CC(Cn2c(C(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)([NH+]2CCOCC2)C1 ZINC001314240945 1069943269 /nfs/dbraw/zinc/94/32/69/1069943269.db2.gz ZMJIXEGEBZWMDB-LAJDMCDJSA-N 1 2 455.647 3.911 20 0 JHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001307412428 1069971558 /nfs/dbraw/zinc/97/15/58/1069971558.db2.gz FQPHKNMUVSSJCF-PKTZIBPZSA-N 1 2 458.002 3.922 20 0 JHADLO COc1ccccc1Cc1cn(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c[nH+]1 ZINC001307407689 1069970922 /nfs/dbraw/zinc/97/09/22/1069970922.db2.gz JNIPTQUHCRSVGR-UHFFFAOYSA-N 1 2 456.949 3.619 20 0 JHADLO COc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)cc1 ZINC001307418096 1069974960 /nfs/dbraw/zinc/97/49/60/1069974960.db2.gz GTGYAQRDLMPHOG-UHFFFAOYSA-N 1 2 451.567 3.850 20 0 JHADLO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1Cl ZINC001307457591 1069995425 /nfs/dbraw/zinc/99/54/25/1069995425.db2.gz YKDYEAPYIPHFRX-UHFFFAOYSA-N 1 2 454.329 3.928 20 0 JHADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001307468177 1070002516 /nfs/dbraw/zinc/00/25/16/1070002516.db2.gz RXDLXKSPNJTHOF-KRWDZBQOSA-N 1 2 451.308 3.533 20 0 JHADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001307468177 1070002534 /nfs/dbraw/zinc/00/25/34/1070002534.db2.gz RXDLXKSPNJTHOF-KRWDZBQOSA-N 1 2 451.308 3.533 20 0 JHADLO CC(C)(C)OCc1cc(CNC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)no1 ZINC001312537317 1070000009 /nfs/dbraw/zinc/00/00/09/1070000009.db2.gz RGFAVBGAVULVLK-UHFFFAOYSA-N 1 2 450.967 3.549 20 0 JHADLO C[N@@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C[C@@H](O)COCc1ccccc1 ZINC001307473375 1070005289 /nfs/dbraw/zinc/00/52/89/1070005289.db2.gz RMZKZTLGWUJQBZ-GOSISDBHSA-N 1 2 450.564 3.739 20 0 JHADLO C[N@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C[C@@H](O)COCc1ccccc1 ZINC001307473375 1070005302 /nfs/dbraw/zinc/00/53/02/1070005302.db2.gz RMZKZTLGWUJQBZ-GOSISDBHSA-N 1 2 450.564 3.739 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314263789 1070008048 /nfs/dbraw/zinc/00/80/48/1070008048.db2.gz CPOYLLPIXPEYGU-QLWBXOBMSA-N 1 2 493.599 3.517 20 0 JHADLO CC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483936 1070010719 /nfs/dbraw/zinc/01/07/19/1070010719.db2.gz YFEIZKZFTRGTRX-VXKWHMMOSA-N 1 2 458.603 3.657 20 0 JHADLO CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483936 1070010730 /nfs/dbraw/zinc/01/07/30/1070010730.db2.gz YFEIZKZFTRGTRX-VXKWHMMOSA-N 1 2 458.603 3.657 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)[C@H](CCO)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307505622 1070023563 /nfs/dbraw/zinc/02/35/63/1070023563.db2.gz IQRKDBFDYGLEPA-IFMALSPDSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)[C@H](CCO)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307505622 1070023576 /nfs/dbraw/zinc/02/35/76/1070023576.db2.gz IQRKDBFDYGLEPA-IFMALSPDSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)[C@@H](CCO)c2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307505625 1070023997 /nfs/dbraw/zinc/02/39/97/1070023997.db2.gz IQRKDBFDYGLEPA-UNMCSNQZSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)[C@@H](CCO)c2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307505625 1070024013 /nfs/dbraw/zinc/02/40/13/1070024013.db2.gz IQRKDBFDYGLEPA-UNMCSNQZSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)c1sc2nc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)nc(N)c2c1C ZINC001307509564 1070025294 /nfs/dbraw/zinc/02/52/94/1070025294.db2.gz BPFYUWNQTQXHFN-SFHVURJKSA-N 1 2 454.596 3.982 20 0 JHADLO CCOC(=O)c1sc2nc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)nc(N)c2c1C ZINC001307509564 1070025314 /nfs/dbraw/zinc/02/53/14/1070025314.db2.gz BPFYUWNQTQXHFN-SFHVURJKSA-N 1 2 454.596 3.982 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@]12C[C@H]1CCC2 ZINC001312585639 1070030094 /nfs/dbraw/zinc/03/00/94/1070030094.db2.gz JLRDKBXDYHMHCG-POAQFYNOSA-N 1 2 453.368 3.745 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@]12C[C@H]1CCC2 ZINC001312585639 1070030105 /nfs/dbraw/zinc/03/01/05/1070030105.db2.gz JLRDKBXDYHMHCG-POAQFYNOSA-N 1 2 453.368 3.745 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@]12C[C@H]1CCC2 ZINC001312585637 1070030144 /nfs/dbraw/zinc/03/01/44/1070030144.db2.gz JLRDKBXDYHMHCG-KPFFTGBYSA-N 1 2 453.368 3.745 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@]12C[C@H]1CCC2 ZINC001312585637 1070030155 /nfs/dbraw/zinc/03/01/55/1070030155.db2.gz JLRDKBXDYHMHCG-KPFFTGBYSA-N 1 2 453.368 3.745 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)N1CCC12CCCC2 ZINC001312586201 1070030590 /nfs/dbraw/zinc/03/05/90/1070030590.db2.gz MDQQPGISQKCBKK-GOSISDBHSA-N 1 2 453.368 3.984 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)N1CCC12CCCC2 ZINC001312586201 1070030606 /nfs/dbraw/zinc/03/06/06/1070030606.db2.gz MDQQPGISQKCBKK-GOSISDBHSA-N 1 2 453.368 3.984 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538547 1070041412 /nfs/dbraw/zinc/04/14/12/1070041412.db2.gz AUPBKLFLIXQKQP-RTBURBONSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538547 1070041425 /nfs/dbraw/zinc/04/14/25/1070041425.db2.gz AUPBKLFLIXQKQP-RTBURBONSA-N 1 2 458.024 3.741 20 0 JHADLO CSc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001307539297 1070042188 /nfs/dbraw/zinc/04/21/88/1070042188.db2.gz FBULKEJBGSSULV-GOSISDBHSA-N 1 2 454.514 3.625 20 0 JHADLO Cc1ccc(-c2cc(NC(=O)C[NH2+][C@](C)(C(N)=O)c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001307559408 1070052958 /nfs/dbraw/zinc/05/29/58/1070052958.db2.gz ZERHQAFCQAQAFR-MHZLTWQESA-N 1 2 453.546 3.777 20 0 JHADLO O=C(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc(-n2cnnn2)ccc1Cl ZINC001307599327 1070074282 /nfs/dbraw/zinc/07/42/82/1070074282.db2.gz IQIRESCEEHOFBK-NRFANRHFSA-N 1 2 454.321 3.682 20 0 JHADLO CCOCc1nnc(N(C)Cc2scnc2C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314301577 1070085449 /nfs/dbraw/zinc/08/54/49/1070085449.db2.gz KFANRTFSHRGINS-NRFANRHFSA-N 1 2 470.643 3.598 20 0 JHADLO COC[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001307625291 1070086810 /nfs/dbraw/zinc/08/68/10/1070086810.db2.gz PQPVTBHIJPTFBD-ZDUSSCGKSA-N 1 2 455.458 3.576 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCCSC1 ZINC001314303639 1070089406 /nfs/dbraw/zinc/08/94/06/1070089406.db2.gz JWFPJDRMCKNDCR-MOPGFXCFSA-N 1 2 465.689 3.529 20 0 JHADLO CN(C)C(=O)C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccccc1 ZINC001312713068 1070091295 /nfs/dbraw/zinc/09/12/95/1070091295.db2.gz LWLMLRYCZQNDPB-JOCHJYFZSA-N 1 2 453.974 3.968 20 0 JHADLO CC(C)[C@@H]1C[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC001312723631 1070094662 /nfs/dbraw/zinc/09/46/62/1070094662.db2.gz CPGAIQDPUADHGG-AEFFLSMTSA-N 1 2 453.381 3.902 20 0 JHADLO COC(=O)c1cc(Br)c(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1OC ZINC001307653138 1070103332 /nfs/dbraw/zinc/10/33/32/1070103332.db2.gz ZYUHOBFXCIMEDM-UHFFFAOYSA-N 1 2 453.377 3.611 20 0 JHADLO COC(=O)c1cc(Br)c(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1OC ZINC001307653138 1070103337 /nfs/dbraw/zinc/10/33/37/1070103337.db2.gz ZYUHOBFXCIMEDM-UHFFFAOYSA-N 1 2 453.377 3.611 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3ccc(-n4cccn4)c(F)c3)CC2)cc1 ZINC001312760829 1070109378 /nfs/dbraw/zinc/10/93/78/1070109378.db2.gz WJTHJMIPOADOCQ-IBGZPJMESA-N 1 2 451.546 3.999 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314328553 1070117548 /nfs/dbraw/zinc/11/75/48/1070117548.db2.gz OPYOCOSUQQXQSU-FQEVSTJZSA-N 1 2 468.646 3.626 20 0 JHADLO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)NC(=O)N[C@H]1c1ccco1 ZINC001307685401 1070124555 /nfs/dbraw/zinc/12/45/55/1070124555.db2.gz PSDNLUMURUVXKB-SGTLLEGYSA-N 1 2 459.453 3.546 20 0 JHADLO CO[C@@H](C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O)c1ccccc1 ZINC001307690563 1070128412 /nfs/dbraw/zinc/12/84/12/1070128412.db2.gz LDLRRWMTPKUNBX-IBGZPJMESA-N 1 2 456.402 3.692 20 0 JHADLO CO[C@@H](C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O)c1ccccc1 ZINC001307690563 1070128418 /nfs/dbraw/zinc/12/84/18/1070128418.db2.gz LDLRRWMTPKUNBX-IBGZPJMESA-N 1 2 456.402 3.692 20 0 JHADLO O=C(CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307713054 1070140662 /nfs/dbraw/zinc/14/06/62/1070140662.db2.gz PYYFTJFYWDWXLZ-OAQYLSRUSA-N 1 2 455.521 3.982 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001307732903 1070155860 /nfs/dbraw/zinc/15/58/60/1070155860.db2.gz SLWZECRRZSJTIT-KURKYZTESA-N 1 2 450.601 3.780 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001307732903 1070155866 /nfs/dbraw/zinc/15/58/66/1070155866.db2.gz SLWZECRRZSJTIT-KURKYZTESA-N 1 2 450.601 3.780 20 0 JHADLO O=C(CC[N@H+]1CCOc2c(Br)cccc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC001307739014 1070159611 /nfs/dbraw/zinc/15/96/11/1070159611.db2.gz PQNAFVCUGKAXGT-UHFFFAOYSA-N 1 2 458.356 3.565 20 0 JHADLO O=C(CC[N@@H+]1CCOc2c(Br)cccc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC001307739014 1070159617 /nfs/dbraw/zinc/15/96/17/1070159617.db2.gz PQNAFVCUGKAXGT-UHFFFAOYSA-N 1 2 458.356 3.565 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001307747853 1070163984 /nfs/dbraw/zinc/16/39/84/1070163984.db2.gz ZCALZLITROAKJH-UHFFFAOYSA-N 1 2 456.892 3.967 20 0 JHADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001307752991 1070167607 /nfs/dbraw/zinc/16/76/07/1070167607.db2.gz RXRVTUOLLUTLGK-UHFFFAOYSA-N 1 2 453.967 3.771 20 0 JHADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001307752991 1070167612 /nfs/dbraw/zinc/16/76/12/1070167612.db2.gz RXRVTUOLLUTLGK-UHFFFAOYSA-N 1 2 453.967 3.771 20 0 JHADLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC001307758997 1070170135 /nfs/dbraw/zinc/17/01/35/1070170135.db2.gz DYRAWHXDDCYAPU-JOCHJYFZSA-N 1 2 450.583 3.555 20 0 JHADLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC001307758997 1070170141 /nfs/dbraw/zinc/17/01/41/1070170141.db2.gz DYRAWHXDDCYAPU-JOCHJYFZSA-N 1 2 450.583 3.555 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1c(Cl)cccc1OC ZINC001314356284 1070177465 /nfs/dbraw/zinc/17/74/65/1070177465.db2.gz SEXXWINSWVZVDV-UHFFFAOYSA-N 1 2 456.978 3.549 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC001307829317 1070203592 /nfs/dbraw/zinc/20/35/92/1070203592.db2.gz NSYIWOOOCHTVOD-QGZVFWFLSA-N 1 2 450.509 3.941 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC001307829317 1070203606 /nfs/dbraw/zinc/20/36/06/1070203606.db2.gz NSYIWOOOCHTVOD-QGZVFWFLSA-N 1 2 450.509 3.941 20 0 JHADLO CCOC(=O)[C@@H](NCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCCC1 ZINC001307881069 1070221637 /nfs/dbraw/zinc/22/16/37/1070221637.db2.gz WXVHEZKJLLJOCZ-NRFANRHFSA-N 1 2 450.649 3.805 20 0 JHADLO CCCCCC[C@](O)(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)OC ZINC001307920132 1070241524 /nfs/dbraw/zinc/24/15/24/1070241524.db2.gz HNUVLQWSKSKOJL-IPJJNNNSSA-N 1 2 476.511 3.537 20 0 JHADLO CCCCCC[C@](O)(C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)OC ZINC001307920132 1070241534 /nfs/dbraw/zinc/24/15/34/1070241534.db2.gz HNUVLQWSKSKOJL-IPJJNNNSSA-N 1 2 476.511 3.537 20 0 JHADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001314389531 1070242080 /nfs/dbraw/zinc/24/20/80/1070242080.db2.gz GZKLMNHADWQENU-UHFFFAOYSA-N 1 2 476.503 3.526 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1cc(F)ccc1OC ZINC001314390706 1070244605 /nfs/dbraw/zinc/24/46/05/1070244605.db2.gz FACITLGUSHATKO-UHFFFAOYSA-N 1 2 483.592 3.559 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCSC(F)(F)F ZINC001314392609 1070249010 /nfs/dbraw/zinc/24/90/10/1070249010.db2.gz STGNGWYAYFCMCX-UHFFFAOYSA-N 1 2 473.569 3.616 20 0 JHADLO O=C(CC[N@@H+]1CCOc2cc(Br)ccc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC001307958690 1070257844 /nfs/dbraw/zinc/25/78/44/1070257844.db2.gz HPEZYMIVKOLYGW-UHFFFAOYSA-N 1 2 458.356 3.565 20 0 JHADLO O=C(CC[N@H+]1CCOc2cc(Br)ccc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC001307958690 1070257858 /nfs/dbraw/zinc/25/78/58/1070257858.db2.gz HPEZYMIVKOLYGW-UHFFFAOYSA-N 1 2 458.356 3.565 20 0 JHADLO O=C(C[N@H+]1CCC[C@@H](CO)[C@H]1CO)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC001307968515 1070263233 /nfs/dbraw/zinc/26/32/33/1070263233.db2.gz YPMPQUBGAHVONZ-NZQKXSOJSA-N 1 2 469.582 3.548 20 0 JHADLO O=C(C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC001307968515 1070263245 /nfs/dbraw/zinc/26/32/45/1070263245.db2.gz YPMPQUBGAHVONZ-NZQKXSOJSA-N 1 2 469.582 3.548 20 0 JHADLO CCOC(=O)c1nnn(C2CC[NH+](CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1C(F)F ZINC001307994062 1070272956 /nfs/dbraw/zinc/27/29/56/1070272956.db2.gz UGKDAGBOTVZTDJ-UHFFFAOYSA-N 1 2 455.893 3.630 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168243 1070278089 /nfs/dbraw/zinc/27/80/89/1070278089.db2.gz OKDGAPNESFAMCH-LEWJYISDSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168243 1070278106 /nfs/dbraw/zinc/27/81/06/1070278106.db2.gz OKDGAPNESFAMCH-LEWJYISDSA-N 1 2 452.382 3.535 20 0 JHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163009 1070274331 /nfs/dbraw/zinc/27/43/31/1070274331.db2.gz ILZXCJHJWADIKR-BKMJKUGQSA-N 1 2 459.631 3.739 20 0 JHADLO CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163009 1070274343 /nfs/dbraw/zinc/27/43/43/1070274343.db2.gz ILZXCJHJWADIKR-BKMJKUGQSA-N 1 2 459.631 3.739 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)c1 ZINC001313165240 1070275976 /nfs/dbraw/zinc/27/59/76/1070275976.db2.gz SQZIYVDNYSSGHR-OAQYLSRUSA-N 1 2 458.400 3.947 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)c1 ZINC001313165240 1070275988 /nfs/dbraw/zinc/27/59/88/1070275988.db2.gz SQZIYVDNYSSGHR-OAQYLSRUSA-N 1 2 458.400 3.947 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@H]1c1ccco1 ZINC001308017947 1070282253 /nfs/dbraw/zinc/28/22/53/1070282253.db2.gz ZZOHHMKFSYYVNQ-XUZZJYLKSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@H]1c1ccco1 ZINC001308017947 1070282260 /nfs/dbraw/zinc/28/22/60/1070282260.db2.gz ZZOHHMKFSYYVNQ-XUZZJYLKSA-N 1 2 459.493 3.826 20 0 JHADLO COc1ccc(C(NC(=O)C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC001308032457 1070287752 /nfs/dbraw/zinc/28/77/52/1070287752.db2.gz DOFSQDQEJVDMNA-QFIPXVFZSA-N 1 2 452.473 3.563 20 0 JHADLO COc1ccc(C(NC(=O)C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC001308032457 1070287763 /nfs/dbraw/zinc/28/77/63/1070287763.db2.gz DOFSQDQEJVDMNA-QFIPXVFZSA-N 1 2 452.473 3.563 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001308039675 1070289219 /nfs/dbraw/zinc/28/92/19/1070289219.db2.gz MORHHHPCXWLPDV-YFNKSVMNSA-N 1 2 456.583 3.774 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001308039675 1070289230 /nfs/dbraw/zinc/28/92/30/1070289230.db2.gz MORHHHPCXWLPDV-YFNKSVMNSA-N 1 2 456.583 3.774 20 0 JHADLO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC001313208550 1070293109 /nfs/dbraw/zinc/29/31/09/1070293109.db2.gz WGYHSJQUSLRQMY-CCQQUTMYSA-N 1 2 454.571 3.593 20 0 JHADLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001313232367 1070300003 /nfs/dbraw/zinc/30/00/03/1070300003.db2.gz LBZRZEVNYJBLII-RBBKRZOGSA-N 1 2 452.555 3.606 20 0 JHADLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001308067906 1070301125 /nfs/dbraw/zinc/30/11/25/1070301125.db2.gz RVXNTRSXCXUFQE-ZDUSSCGKSA-N 1 2 451.399 3.992 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001308067906 1070301145 /nfs/dbraw/zinc/30/11/45/1070301145.db2.gz RVXNTRSXCXUFQE-ZDUSSCGKSA-N 1 2 451.399 3.992 20 0 JHADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308114290 1070318572 /nfs/dbraw/zinc/31/85/72/1070318572.db2.gz YHRMHYFNQKIXQG-ZDUSSCGKSA-N 1 2 456.395 3.847 20 0 JHADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121835 1070321262 /nfs/dbraw/zinc/32/12/62/1070321262.db2.gz OVBBOFLRXXNMNU-HSZRJFAPSA-N 1 2 450.963 3.860 20 0 JHADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121835 1070321284 /nfs/dbraw/zinc/32/12/84/1070321284.db2.gz OVBBOFLRXXNMNU-HSZRJFAPSA-N 1 2 450.963 3.860 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001308123772 1070321798 /nfs/dbraw/zinc/32/17/98/1070321798.db2.gz DQKWXJGMOBQGGX-FUHWJXTLSA-N 1 2 455.607 3.743 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001308123772 1070321819 /nfs/dbraw/zinc/32/18/19/1070321819.db2.gz DQKWXJGMOBQGGX-FUHWJXTLSA-N 1 2 455.607 3.743 20 0 JHADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cnc(N3CCCC3)nc2)c2ccc(F)c(F)c2)c1 ZINC001308293759 1070353005 /nfs/dbraw/zinc/35/30/05/1070353005.db2.gz QEUGYJVDIGSTGE-JOCHJYFZSA-N 1 2 458.534 3.638 20 0 JHADLO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308400479 1070370448 /nfs/dbraw/zinc/37/04/48/1070370448.db2.gz AZZKNLNUFMSGEQ-QFIPXVFZSA-N 1 2 458.603 3.738 20 0 JHADLO CCOCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314466947 1070377441 /nfs/dbraw/zinc/37/74/41/1070377441.db2.gz HTDFCDRLIKDWBN-UHFFFAOYSA-N 1 2 489.418 3.698 20 0 JHADLO CCOCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1c[nH+]ccc1OC ZINC001314478897 1070389716 /nfs/dbraw/zinc/38/97/16/1070389716.db2.gz NWRFTPXTLPGBPL-UHFFFAOYSA-N 1 2 488.633 3.707 20 0 JHADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001308650109 1070409934 /nfs/dbraw/zinc/40/99/34/1070409934.db2.gz KABFDQQFRSEKQU-KRWDZBQOSA-N 1 2 454.423 3.826 20 0 JHADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2c[nH+]c3c(C)cc(Br)cn23)cc1 ZINC001308727034 1070426877 /nfs/dbraw/zinc/42/68/77/1070426877.db2.gz PBYWQKQUJSPYJG-CQSZACIVSA-N 1 2 459.344 3.699 20 0 JHADLO CCOCCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314503334 1070440095 /nfs/dbraw/zinc/44/00/95/1070440095.db2.gz MOZWPVPDKHRXIT-IBGZPJMESA-N 1 2 471.005 3.740 20 0 JHADLO CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314524713 1070516886 /nfs/dbraw/zinc/51/68/86/1070516886.db2.gz VLFAFINEKDWHCA-UHFFFAOYSA-N 1 2 482.654 3.558 20 0 JHADLO COc1cc(OC)cc(S(=O)(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC001309065604 1070519197 /nfs/dbraw/zinc/51/91/97/1070519197.db2.gz GGTGPORSKDGOEH-JOCHJYFZSA-N 1 2 458.605 3.843 20 0 JHADLO COc1cc(OC)cc(S(=O)(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC001309065604 1070519207 /nfs/dbraw/zinc/51/92/07/1070519207.db2.gz GGTGPORSKDGOEH-JOCHJYFZSA-N 1 2 458.605 3.843 20 0 JHADLO CCOc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1Br ZINC001309129248 1070554412 /nfs/dbraw/zinc/55/44/12/1070554412.db2.gz QYNDYTRENAEWNP-ZDUSSCGKSA-N 1 2 459.431 3.634 20 0 JHADLO CCOc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1Br ZINC001309129248 1070554426 /nfs/dbraw/zinc/55/44/26/1070554426.db2.gz QYNDYTRENAEWNP-ZDUSSCGKSA-N 1 2 459.431 3.634 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2cccc[nH+]2)C1 ZINC001314592283 1070624703 /nfs/dbraw/zinc/62/47/03/1070624703.db2.gz PGOCGJGDPQOJOO-IBGZPJMESA-N 1 2 480.642 3.935 20 0 JHADLO CC[C@@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309282513 1070667640 /nfs/dbraw/zinc/66/76/40/1070667640.db2.gz LVGNDAOENOZFPA-RPBOFIJWSA-N 1 2 456.608 3.581 20 0 JHADLO CC[C@@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309282513 1070667645 /nfs/dbraw/zinc/66/76/45/1070667645.db2.gz LVGNDAOENOZFPA-RPBOFIJWSA-N 1 2 456.608 3.581 20 0 JHADLO CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313563605 1070680590 /nfs/dbraw/zinc/68/05/90/1070680590.db2.gz DZPAKFMYBBWMGL-UHFFFAOYSA-N 1 2 475.366 3.583 20 0 JHADLO CCC[C@@H](C(=O)OCC)S(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001309344167 1070711570 /nfs/dbraw/zinc/71/15/70/1070711570.db2.gz NYTAIWAPJRZYHO-SFHVURJKSA-N 1 2 451.416 3.609 20 0 JHADLO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1)c1c(F)cccc1F ZINC001314651932 1070761833 /nfs/dbraw/zinc/76/18/33/1070761833.db2.gz SYIGFEPOFDEXHQ-LEWJYISDSA-N 1 2 490.599 3.583 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncnn2CC(F)F)c[nH+]1 ZINC001314659993 1070782855 /nfs/dbraw/zinc/78/28/55/1070782855.db2.gz AXVGONBUZDTLJS-UHFFFAOYSA-N 1 2 487.946 3.601 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001313648255 1070816730 /nfs/dbraw/zinc/81/67/30/1070816730.db2.gz MNEODVOISWJZEV-FQEVSTJZSA-N 1 2 489.615 3.546 20 0 JHADLO Cn1cc(Br)c2ccc(S(=O)(=O)NCc3ccccc3Cn3cc[nH+]c3)cc21 ZINC001309559676 1070857338 /nfs/dbraw/zinc/85/73/38/1070857338.db2.gz YOTYWJYKNLWNKF-UHFFFAOYSA-N 1 2 459.369 3.664 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001314712639 1070898659 /nfs/dbraw/zinc/89/86/59/1070898659.db2.gz TUQGWVJPIJOGHN-VAMGGRTRSA-N 1 2 461.676 3.698 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC(N)=O)c[nH+]1 ZINC001313672823 1070905124 /nfs/dbraw/zinc/90/51/24/1070905124.db2.gz HPNVKEPWFMQWEN-INIZCTEOSA-N 1 2 455.994 3.588 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1)c1ccco1 ZINC001313675713 1070918006 /nfs/dbraw/zinc/91/80/06/1070918006.db2.gz APEXSAWAPFEZDP-QUCCMNQESA-N 1 2 491.683 3.863 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(NC(C)=O)CC2)c[nH+]1 ZINC001313677094 1070923469 /nfs/dbraw/zinc/92/34/69/1070923469.db2.gz KYVRHKAGSDDDSX-UHFFFAOYSA-N 1 2 482.032 3.993 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](OC)C2)c[nH+]1 ZINC001313677778 1070926784 /nfs/dbraw/zinc/92/67/84/1070926784.db2.gz YJDABFIZVLFRKR-LJQANCHMSA-N 1 2 455.994 3.898 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC(C)C)C2CCCC2)c[nH+]1 ZINC001313678108 1070928370 /nfs/dbraw/zinc/92/83/70/1070928370.db2.gz AEYJOQWELYRQKP-NRFANRHFSA-N 1 2 453.635 3.924 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c[nH+]1 ZINC001313679056 1070932823 /nfs/dbraw/zinc/93/28/23/1070932823.db2.gz GXXRYAXBZJPMTG-IRLDBZIGSA-N 1 2 483.661 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)OC2CCCC2)c[nH+]1 ZINC001313678950 1070932861 /nfs/dbraw/zinc/93/28/61/1070932861.db2.gz NIWYNCYYVOGYTH-UHFFFAOYSA-N 1 2 452.607 3.740 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](c3ccnn3C)C2)c[nH+]1 ZINC001313680926 1070939504 /nfs/dbraw/zinc/93/95/04/1070939504.db2.gz YLXUFXOLYZSGNY-OAQYLSRUSA-N 1 2 450.635 3.884 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313683519 1070944900 /nfs/dbraw/zinc/94/49/00/1070944900.db2.gz FEFSDAUQMMMNFF-ZWKOTPCHSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313683519 1070944906 /nfs/dbraw/zinc/94/49/06/1070944906.db2.gz FEFSDAUQMMMNFF-ZWKOTPCHSA-N 1 2 468.581 3.904 20 0 JHADLO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314731641 1070950389 /nfs/dbraw/zinc/95/03/89/1070950389.db2.gz QCUDSGQIECVQJZ-QGZVFWFLSA-N 1 2 454.040 3.982 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccccc1-c1ccno1 ZINC001309850401 1070996032 /nfs/dbraw/zinc/99/60/32/1070996032.db2.gz ZKATWDCCBVBHOJ-QZTJIDSGSA-N 1 2 451.470 3.683 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccccc1-c1ccno1 ZINC001309850401 1070996045 /nfs/dbraw/zinc/99/60/45/1070996045.db2.gz ZKATWDCCBVBHOJ-QZTJIDSGSA-N 1 2 451.470 3.683 20 0 JHADLO O=S(=O)(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)c1cc(F)ccc1OC(F)F ZINC001309960792 1071029112 /nfs/dbraw/zinc/02/91/12/1071029112.db2.gz UNRJZKLEJJIPBP-UHFFFAOYSA-N 1 2 459.877 3.846 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(C(C)C)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001313752289 1071087929 /nfs/dbraw/zinc/08/79/29/1071087929.db2.gz LRCAJLGPMLVNGN-HSZRJFAPSA-N 1 2 451.619 3.543 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(CC(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313755263 1071095032 /nfs/dbraw/zinc/09/50/32/1071095032.db2.gz JQSRJADNQZCTMD-DEOSSOPVSA-N 1 2 465.646 3.619 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313773913 1071127988 /nfs/dbraw/zinc/12/79/88/1071127988.db2.gz YDLKDQNFPNJWAL-XZOQPEGZSA-N 1 2 455.647 3.963 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CN2CCCC2=O)n1CCCC(F)(F)F ZINC001313777765 1071136205 /nfs/dbraw/zinc/13/62/05/1071136205.db2.gz AYHQFFFAXSSBRU-UHFFFAOYSA-N 1 2 493.578 3.881 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001310132524 1071143441 /nfs/dbraw/zinc/14/34/41/1071143441.db2.gz LIBXLPPEOXNDRW-OALUTQOASA-N 1 2 451.354 3.546 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001310132524 1071143450 /nfs/dbraw/zinc/14/34/50/1071143450.db2.gz LIBXLPPEOXNDRW-OALUTQOASA-N 1 2 451.354 3.546 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313783150 1071149164 /nfs/dbraw/zinc/14/91/64/1071149164.db2.gz QRLNNSIZGSKMHY-SFTDATJTSA-N 1 2 499.660 3.865 20 0 JHADLO CCC[NH+]1CCN(c2ccc(NC(=O)NCc3n[nH]c(-c4ccccc4)n3)cc2Cl)CC1 ZINC001310192740 1071198157 /nfs/dbraw/zinc/19/81/57/1071198157.db2.gz YSQOLLOAWDUMEN-UHFFFAOYSA-N 1 2 453.978 3.979 20 0 JHADLO CCC[NH+]1CCN(c2ccc(NC(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2Cl)CC1 ZINC001310192740 1071198166 /nfs/dbraw/zinc/19/81/66/1071198166.db2.gz YSQOLLOAWDUMEN-UHFFFAOYSA-N 1 2 453.978 3.979 20 0 JHADLO COc1nsc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1Br ZINC001310285154 1071269829 /nfs/dbraw/zinc/26/98/29/1071269829.db2.gz DHTGRZSGYLKZHB-UHFFFAOYSA-N 1 2 452.334 3.511 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccccc1 ZINC001314871954 1071285066 /nfs/dbraw/zinc/28/50/66/1071285066.db2.gz SQOJMTYCYYBVCV-DHIUTWEWSA-N 1 2 455.647 3.598 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314874142 1071291587 /nfs/dbraw/zinc/29/15/87/1071291587.db2.gz NWWKLZRSZDKQRM-RUZDIDTESA-N 1 2 492.064 3.610 20 0 JHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1 ZINC001310322444 1071305865 /nfs/dbraw/zinc/30/58/65/1071305865.db2.gz JFTGUKAOPLJLJD-GOSISDBHSA-N 1 2 459.616 3.738 20 0 JHADLO CCn1cc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001313842193 1071328203 /nfs/dbraw/zinc/32/82/03/1071328203.db2.gz QGRTUPJMAARLBW-WOJBJXKFSA-N 1 2 459.545 3.564 20 0 JHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC001310419288 1071379145 /nfs/dbraw/zinc/37/91/45/1071379145.db2.gz PMVSNGJATNWINT-UHFFFAOYSA-N 1 2 458.360 3.835 20 0 JHADLO CNC(=O)[C@]1(C)CCN(c2nnc(CC3CCCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314973457 1071462137 /nfs/dbraw/zinc/46/21/37/1071462137.db2.gz YRRCPWGRWZATGV-CJFMBICVSA-N 1 2 474.600 3.554 20 0 JHADLO CNC(=O)CCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315029494 1071558345 /nfs/dbraw/zinc/55/83/45/1071558345.db2.gz VMQMHRWLOXQZMU-UHFFFAOYSA-N 1 2 463.630 3.714 20 0 JHADLO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001315032496 1071563231 /nfs/dbraw/zinc/56/32/31/1071563231.db2.gz PZYGBSWCBQSKQP-IBGZPJMESA-N 1 2 495.603 3.563 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313927802 1071582117 /nfs/dbraw/zinc/58/21/17/1071582117.db2.gz NKQPVTNGAYJNGG-PKTZIBPZSA-N 1 2 484.689 3.540 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001313932669 1071596359 /nfs/dbraw/zinc/59/63/59/1071596359.db2.gz LSCUKOCPHADBIO-PMACEKPBSA-N 1 2 473.687 3.598 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001313932669 1071596367 /nfs/dbraw/zinc/59/63/67/1071596367.db2.gz LSCUKOCPHADBIO-PMACEKPBSA-N 1 2 473.687 3.598 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001314008410 1071744828 /nfs/dbraw/zinc/74/48/28/1071744828.db2.gz LTZJIZJVYHWDRK-XUZZJYLKSA-N 1 2 498.672 3.922 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001314025921 1071787037 /nfs/dbraw/zinc/78/70/37/1071787037.db2.gz ZVQFDRVBXGQWGZ-UHFFFAOYSA-N 1 2 484.004 3.698 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314041042 1071842496 /nfs/dbraw/zinc/84/24/96/1071842496.db2.gz ZKAUITDPWAYIRF-JXFKEZNVSA-N 1 2 487.555 3.569 20 0 JHADLO CCO[C@]1(c2nnc(N3C[C@H](C)C[C@@H]3CC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314096464 1071976878 /nfs/dbraw/zinc/97/68/78/1071976878.db2.gz RFFSNTYSYKYAEG-FZOAFFARSA-N 1 2 456.635 3.845 20 0 JHADLO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC(C)(C)CC)CCOC1 ZINC001314136494 1072048325 /nfs/dbraw/zinc/04/83/25/1072048325.db2.gz PAVPIUIVOZFGIA-VWLOTQADSA-N 1 2 459.610 3.828 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1 ZINC001305924882 1068220992 /nfs/dbraw/zinc/22/09/92/1068220992.db2.gz IJFJPQFVYQSUHL-RPWUZVMVSA-N 1 2 455.647 3.727 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@@H](OC)[C@H](C)CC)cc1 ZINC001305944719 1068257383 /nfs/dbraw/zinc/25/73/83/1068257383.db2.gz NKFJUMBCGWALRI-AUSIDOKSSA-N 1 2 463.630 3.994 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)n2CC(C)(C)COC)cc1 ZINC001305945940 1068260278 /nfs/dbraw/zinc/26/02/78/1068260278.db2.gz ZCHRSBPXJCMNIU-JOCHJYFZSA-N 1 2 496.700 3.703 20 0 JHADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCOc1ccc(C)cc1 ZINC001306074125 1068507676 /nfs/dbraw/zinc/50/76/76/1068507676.db2.gz HISDGEWSOXSLHP-OAQYLSRUSA-N 1 2 455.628 3.799 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306166310 1068562331 /nfs/dbraw/zinc/56/23/31/1068562331.db2.gz NPFFEJWYKFIOSK-GGAORHGYSA-N 1 2 498.672 3.655 20 0 JHADLO CC[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001306306970 1068725526 /nfs/dbraw/zinc/72/55/26/1068725526.db2.gz MPGMVOQTFUUARD-FGZHOGPDSA-N 1 2 498.672 3.582 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001306455669 1068978544 /nfs/dbraw/zinc/97/85/44/1068978544.db2.gz QDWQMULQLBTNIM-LEWJYISDSA-N 1 2 459.660 3.526 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001306456331 1068981151 /nfs/dbraw/zinc/98/11/51/1068981151.db2.gz BISJLNYUCBXEPE-IBGZPJMESA-N 1 2 480.078 3.950 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001306456331 1068981159 /nfs/dbraw/zinc/98/11/59/1068981159.db2.gz BISJLNYUCBXEPE-IBGZPJMESA-N 1 2 480.078 3.950 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001306457227 1068985027 /nfs/dbraw/zinc/98/50/27/1068985027.db2.gz MGWIBISWOIXPTK-MOPGFXCFSA-N 1 2 477.700 3.632 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306465462 1069003460 /nfs/dbraw/zinc/00/34/60/1069003460.db2.gz OLVCSKAZPRUNAD-UTBBOMKLSA-N 1 2 466.674 3.705 20 0 JHADLO Cc1cc(C)nc(-n2nccc2NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC001310570321 1069024039 /nfs/dbraw/zinc/02/40/39/1069024039.db2.gz OWIUCDRLWFOGOL-UHFFFAOYSA-N 1 2 450.934 3.863 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001306511552 1069106236 /nfs/dbraw/zinc/10/62/36/1069106236.db2.gz ASONJCMZFNWJLJ-UHFFFAOYSA-N 1 2 453.635 3.720 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001306517674 1069128610 /nfs/dbraw/zinc/12/86/10/1069128610.db2.gz WTMZFQUXWMFHJH-UHFFFAOYSA-N 1 2 478.597 3.503 20 0 JHADLO CS(=O)(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC001310748435 1069149269 /nfs/dbraw/zinc/14/92/69/1069149269.db2.gz SMMWNZQTIYWEKI-MRXNPFEDSA-N 1 2 459.465 3.644 20 0 JHADLO CS(=O)(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC001310748435 1069149272 /nfs/dbraw/zinc/14/92/72/1069149272.db2.gz SMMWNZQTIYWEKI-MRXNPFEDSA-N 1 2 459.465 3.644 20 0 JHADLO COc1cc(I)ccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001310788408 1069162787 /nfs/dbraw/zinc/16/27/87/1069162787.db2.gz XTHZUIQPGDRBQT-UHFFFAOYSA-N 1 2 450.280 3.620 20 0 JHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c1C ZINC001310805573 1069171037 /nfs/dbraw/zinc/17/10/37/1069171037.db2.gz KMNNSKXEMAROGR-DEOSSOPVSA-N 1 2 451.527 3.596 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001310846441 1069191753 /nfs/dbraw/zinc/19/17/53/1069191753.db2.gz OBMTYUQARCYRFU-BGYRXZFFSA-N 1 2 458.603 3.882 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC001310950755 1069231867 /nfs/dbraw/zinc/23/18/67/1069231867.db2.gz HMCQPZIBSKVHKH-UHFFFAOYSA-N 1 2 455.946 3.763 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306578466 1069243945 /nfs/dbraw/zinc/24/39/45/1069243945.db2.gz UDDDXHIIZDQKFP-QUCCMNQESA-N 1 2 487.649 3.721 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cccc4c3OC(C)(C)CC4=O)C2)cc(OC)c1 ZINC001311082265 1069267561 /nfs/dbraw/zinc/26/75/61/1069267561.db2.gz WPHHPWOENZGIIZ-QGZVFWFLSA-N 1 2 453.539 3.844 20 0 JHADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cccc4c3OC(C)(C)CC4=O)C2)cc(OC)c1 ZINC001311082265 1069267567 /nfs/dbraw/zinc/26/75/67/1069267567.db2.gz WPHHPWOENZGIIZ-QGZVFWFLSA-N 1 2 453.539 3.844 20 0 JHADLO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001306618273 1069300988 /nfs/dbraw/zinc/30/09/88/1069300988.db2.gz NSILWOCGKGTOSR-GOTSBHOMSA-N 1 2 455.647 3.963 20 0 JHADLO O=C(c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008685478 562952402 /nfs/dbraw/zinc/95/24/02/562952402.db2.gz QBPCCIMUDKGFNM-UHFFFAOYSA-N 1 2 471.529 3.724 20 0 JHADLO Cc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c(Cl)nn1 ZINC001164417316 718891198 /nfs/dbraw/zinc/89/11/98/718891198.db2.gz JMAVVKKGZDQPJD-CYBMUJFWSA-N 1 2 458.694 3.971 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(N(C)C)n1)CC2 ZINC001164663816 719345538 /nfs/dbraw/zinc/34/55/38/719345538.db2.gz MPKRJXAPORVKDS-UHFFFAOYSA-N 1 2 452.006 3.891 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(N(C)C)n1)CC2 ZINC001164663816 719345539 /nfs/dbraw/zinc/34/55/39/719345539.db2.gz MPKRJXAPORVKDS-UHFFFAOYSA-N 1 2 452.006 3.891 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164664072 719347023 /nfs/dbraw/zinc/34/70/23/719347023.db2.gz QEROCPIXHBRWRV-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164664072 719347024 /nfs/dbraw/zinc/34/70/24/719347024.db2.gz QEROCPIXHBRWRV-UHFFFAOYSA-N 1 2 461.566 3.572 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164660708 719350169 /nfs/dbraw/zinc/35/01/69/719350169.db2.gz XQZHDBMBVAECQV-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164660708 719350173 /nfs/dbraw/zinc/35/01/73/719350173.db2.gz XQZHDBMBVAECQV-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)no1 ZINC001164672738 719521385 /nfs/dbraw/zinc/52/13/85/719521385.db2.gz NEOUEWPDBOEXBO-UHFFFAOYSA-N 1 2 465.529 3.641 20 0 JHADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)no1 ZINC001164672738 719521393 /nfs/dbraw/zinc/52/13/93/719521393.db2.gz NEOUEWPDBOEXBO-UHFFFAOYSA-N 1 2 465.529 3.641 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)cc1 ZINC001164695085 719830041 /nfs/dbraw/zinc/83/00/41/719830041.db2.gz AXSANHFPQRDFBD-QFIPXVFZSA-N 1 2 455.921 3.767 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164700681 719873026 /nfs/dbraw/zinc/87/30/26/719873026.db2.gz FKQIWMCPUKKELG-PGRDOPGGSA-N 1 2 480.943 3.575 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164697075 719878152 /nfs/dbraw/zinc/87/81/52/719878152.db2.gz BNSIEJYZFWCZJU-UUOWRZLLSA-N 1 2 474.989 3.717 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164697069 719878205 /nfs/dbraw/zinc/87/82/05/719878205.db2.gz BNSIEJYZFWCZJU-KOSHJBKYSA-N 1 2 474.989 3.717 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001164702226 719878382 /nfs/dbraw/zinc/87/83/82/719878382.db2.gz PGKSLUNMJYUZQP-KSFYIVLOSA-N 1 2 481.380 3.808 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cs1 ZINC001164816052 720251156 /nfs/dbraw/zinc/25/11/56/720251156.db2.gz FQHKZAAUPZKGIO-ZEQRLZLVSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cs1 ZINC001164816052 720251163 /nfs/dbraw/zinc/25/11/63/720251163.db2.gz FQHKZAAUPZKGIO-ZEQRLZLVSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)CC3)C2=O)cs1 ZINC001164820362 720380801 /nfs/dbraw/zinc/38/08/01/720380801.db2.gz ORJYFYDYKMBPSH-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)CC3)C2=O)cs1 ZINC001164820362 720380810 /nfs/dbraw/zinc/38/08/10/720380810.db2.gz ORJYFYDYKMBPSH-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164821275 720382868 /nfs/dbraw/zinc/38/28/68/720382868.db2.gz DVQRZWLKXLSOPA-UHFFFAOYSA-N 1 2 491.665 3.713 20 0 JHADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164821275 720382874 /nfs/dbraw/zinc/38/28/74/720382874.db2.gz DVQRZWLKXLSOPA-UHFFFAOYSA-N 1 2 491.665 3.713 20 0 JHADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)c1 ZINC001164827649 720399115 /nfs/dbraw/zinc/39/91/15/720399115.db2.gz GUQZYNJUGLFDKY-UHFFFAOYSA-N 1 2 470.915 3.897 20 0 JHADLO O=C(c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164845681 720765488 /nfs/dbraw/zinc/76/54/88/720765488.db2.gz GCXPKFVGGACBMA-SXOMAYOGSA-N 1 2 495.627 3.814 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164855829 720896418 /nfs/dbraw/zinc/89/64/18/720896418.db2.gz CRPUJHPCDYABRO-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756807 720974839 /nfs/dbraw/zinc/97/48/39/720974839.db2.gz LMMDWBSNAKJIMV-INIZCTEOSA-N 1 2 452.937 3.535 20 0 JHADLO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878159 721255051 /nfs/dbraw/zinc/25/50/51/721255051.db2.gz SSNGHQKARZMLMO-RNAHPLFWSA-N 1 2 497.643 3.983 20 0 JHADLO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878159 721255058 /nfs/dbraw/zinc/25/50/58/721255058.db2.gz SSNGHQKARZMLMO-RNAHPLFWSA-N 1 2 497.643 3.983 20 0 JHADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770632 721275830 /nfs/dbraw/zinc/27/58/30/721275830.db2.gz VJEXPRPZRSYDDI-CYBMUJFWSA-N 1 2 455.296 3.721 20 0 JHADLO O=S(=O)(Nc1ccc(F)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1)c1ccc(Cl)nc1 ZINC001164788307 721431419 /nfs/dbraw/zinc/43/14/19/721431419.db2.gz SVHOALUUMCDJDZ-HUUCEWRRSA-N 1 2 494.017 3.700 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001165009905 721722168 /nfs/dbraw/zinc/72/21/68/721722168.db2.gz BPRMTCQGGCGZIU-UHFFFAOYSA-N 1 2 453.422 3.616 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001165009905 721722170 /nfs/dbraw/zinc/72/21/70/721722170.db2.gz BPRMTCQGGCGZIU-UHFFFAOYSA-N 1 2 453.422 3.616 20 0 JHADLO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1 ZINC001164919474 721821621 /nfs/dbraw/zinc/82/16/21/721821621.db2.gz RNTIJZVMKZIOOS-UHFFFAOYSA-N 1 2 454.962 3.877 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164946758 721974034 /nfs/dbraw/zinc/97/40/34/721974034.db2.gz VTEVBIVCTYVAAT-UHFFFAOYSA-N 1 2 452.562 3.596 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164946758 721974036 /nfs/dbraw/zinc/97/40/36/721974036.db2.gz VTEVBIVCTYVAAT-UHFFFAOYSA-N 1 2 452.562 3.596 20 0 JHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC001311283691 1069316118 /nfs/dbraw/zinc/31/61/18/1069316118.db2.gz CIFGTOPJIXIOBB-QUCCMNQESA-N 1 2 454.493 3.851 20 0 JHADLO Cc1cc(C)n(-c2ccc(CNC(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)cn2)n1 ZINC001311356446 1069340380 /nfs/dbraw/zinc/34/03/80/1069340380.db2.gz WEUOLGWCZOBXJU-UHFFFAOYSA-N 1 2 455.566 3.785 20 0 JHADLO CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001306640455 1069350724 /nfs/dbraw/zinc/35/07/24/1069350724.db2.gz VCYVOKMAAPXIJV-UHFFFAOYSA-N 1 2 477.617 3.664 20 0 JHADLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311427521 1069374728 /nfs/dbraw/zinc/37/47/28/1069374728.db2.gz ZKDDEQNBIUVFFV-IBGZPJMESA-N 1 2 453.587 3.504 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491040 1069402860 /nfs/dbraw/zinc/40/28/60/1069402860.db2.gz OFHSKWVHMKAKFM-FCHUYYIVSA-N 1 2 456.562 3.765 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491040 1069402863 /nfs/dbraw/zinc/40/28/63/1069402863.db2.gz OFHSKWVHMKAKFM-FCHUYYIVSA-N 1 2 456.562 3.765 20 0 JHADLO O=C(NC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1 ZINC001311532659 1069426346 /nfs/dbraw/zinc/42/63/46/1069426346.db2.gz KCKMAUYRSBXTRW-JOCHJYFZSA-N 1 2 450.587 3.958 20 0 JHADLO CCCc1ccc([C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c2cccs2)cc1 ZINC001311552973 1069436236 /nfs/dbraw/zinc/43/62/36/1069436236.db2.gz IRQPDHODTBGYDO-RCZVLFRGSA-N 1 2 457.640 3.705 20 0 JHADLO CCCc1ccc([C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c2cccs2)cc1 ZINC001311552973 1069436246 /nfs/dbraw/zinc/43/62/46/1069436246.db2.gz IRQPDHODTBGYDO-RCZVLFRGSA-N 1 2 457.640 3.705 20 0 JHADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001311682173 1069502323 /nfs/dbraw/zinc/50/23/23/1069502323.db2.gz JZDMNVUZABTBGS-KRWDZBQOSA-N 1 2 458.335 3.852 20 0 JHADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306736577 1069503799 /nfs/dbraw/zinc/50/37/99/1069503799.db2.gz LXKPWWALSPOCOQ-QFIPXVFZSA-N 1 2 491.640 3.596 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC001311713190 1069515127 /nfs/dbraw/zinc/51/51/27/1069515127.db2.gz ALHMGQAJPOMHFH-HXUWFJFHSA-N 1 2 455.599 3.951 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC001311713190 1069515136 /nfs/dbraw/zinc/51/51/36/1069515136.db2.gz ALHMGQAJPOMHFH-HXUWFJFHSA-N 1 2 455.599 3.951 20 0 JHADLO O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001311751476 1069533166 /nfs/dbraw/zinc/53/31/66/1069533166.db2.gz BLVSCVXFZRBRDM-XMMPIXPASA-N 1 2 451.521 3.609 20 0 JHADLO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001306775776 1069571931 /nfs/dbraw/zinc/57/19/31/1069571931.db2.gz NWGBYXWFKZYMFI-RBUKOAKNSA-N 1 2 473.622 3.515 20 0 JHADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001311953632 1069632538 /nfs/dbraw/zinc/63/25/38/1069632538.db2.gz MIMXGBJFDJVJBB-SJLPKXTDSA-N 1 2 451.892 3.788 20 0 JHADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001311953632 1069632539 /nfs/dbraw/zinc/63/25/39/1069632539.db2.gz MIMXGBJFDJVJBB-SJLPKXTDSA-N 1 2 451.892 3.788 20 0 JHADLO C[C@H](Oc1ccnc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1)c1ccccc1 ZINC001306871795 1069668365 /nfs/dbraw/zinc/66/83/65/1069668365.db2.gz HFVNRVPNHHIFLU-FQEVSTJZSA-N 1 2 459.550 3.684 20 0 JHADLO C[NH+](C)[C@@H](CNC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC001312074002 1069706884 /nfs/dbraw/zinc/70/68/84/1069706884.db2.gz NNTPWPVXXSIGNE-KRWDZBQOSA-N 1 2 450.440 3.732 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC001312097205 1069719154 /nfs/dbraw/zinc/71/91/54/1069719154.db2.gz NUFYEXNGNOMZLM-UHFFFAOYSA-N 1 2 450.562 3.588 20 0 JHADLO CC(=O)Nc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312120664 1069731758 /nfs/dbraw/zinc/73/17/58/1069731758.db2.gz YHHXDHSPOSUTRV-UHFFFAOYSA-N 1 2 450.461 3.571 20 0 JHADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001312117188 1069729158 /nfs/dbraw/zinc/72/91/58/1069729158.db2.gz JVIJJDZVQZYUMS-GOSISDBHSA-N 1 2 459.344 3.779 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)cc1OC ZINC001314185159 1069736983 /nfs/dbraw/zinc/73/69/83/1069736983.db2.gz QWXOJMBAOSGTJL-UHFFFAOYSA-N 1 2 471.646 3.775 20 0 JHADLO CCOc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314186554 1069740062 /nfs/dbraw/zinc/74/00/62/1069740062.db2.gz UJRJBBJVTAITEE-AGILITTLSA-N 1 2 485.673 3.953 20 0 JHADLO O=C(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001312155924 1069754829 /nfs/dbraw/zinc/75/48/29/1069754829.db2.gz LDUGIWQZUIVQPQ-UHFFFAOYSA-N 1 2 451.615 3.566 20 0 JHADLO Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(OC[C@@H]2CCCO2)c1 ZINC001312254266 1069812618 /nfs/dbraw/zinc/81/26/18/1069812618.db2.gz LJRKACUOFQXJIJ-NRFANRHFSA-N 1 2 456.612 3.500 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)O[C@@H](C)C2 ZINC001312328591 1069866690 /nfs/dbraw/zinc/86/66/90/1069866690.db2.gz YZCKFDLIGQQZDS-WADWEFIESA-N 1 2 459.974 3.543 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)O[C@@H](C)C2 ZINC001312328591 1069866713 /nfs/dbraw/zinc/86/67/13/1069866713.db2.gz YZCKFDLIGQQZDS-WADWEFIESA-N 1 2 459.974 3.543 20 0 JHADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC001312348306 1069878471 /nfs/dbraw/zinc/87/84/71/1069878471.db2.gz AENCAKHCDXVXAB-SCTDSRPQSA-N 1 2 452.477 3.624 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H]2C(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314224155 1069883132 /nfs/dbraw/zinc/88/31/32/1069883132.db2.gz LOADGHANYUAQMW-NHCUHLMSSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H]2C(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001314224155 1069883152 /nfs/dbraw/zinc/88/31/52/1069883152.db2.gz LOADGHANYUAQMW-NHCUHLMSSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H]2C(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314224156 1069884110 /nfs/dbraw/zinc/88/41/10/1069884110.db2.gz LOADGHANYUAQMW-RTWAWAEBSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H]2C(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001314224156 1069884133 /nfs/dbraw/zinc/88/41/33/1069884133.db2.gz LOADGHANYUAQMW-RTWAWAEBSA-N 1 2 457.619 3.601 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312423628 1069925816 /nfs/dbraw/zinc/92/58/16/1069925816.db2.gz AXIXXYBNLIENIR-ILWGZMRPSA-N 1 2 459.974 3.933 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312423628 1069925828 /nfs/dbraw/zinc/92/58/28/1069925828.db2.gz AXIXXYBNLIENIR-ILWGZMRPSA-N 1 2 459.974 3.933 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)CC2)nc1 ZINC001312424872 1069927885 /nfs/dbraw/zinc/92/78/85/1069927885.db2.gz FAYHWERRWUERCC-DHIUTWEWSA-N 1 2 458.990 3.705 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC001312424872 1069927896 /nfs/dbraw/zinc/92/78/96/1069927896.db2.gz FAYHWERRWUERCC-DHIUTWEWSA-N 1 2 458.990 3.705 20 0 JHADLO Cc1cccc(N2CCN(C(=O)NCCc3cn4cc(Br)cc(C)c4[nH+]3)CC2)c1 ZINC001312475460 1069959480 /nfs/dbraw/zinc/95/94/80/1069959480.db2.gz QCAKHYIDHNNCHR-UHFFFAOYSA-N 1 2 456.388 3.788 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001312521633 1069988468 /nfs/dbraw/zinc/98/84/68/1069988468.db2.gz YCSVZGWGIORCRK-MAODMQOUSA-N 1 2 450.421 3.665 20 0 JHADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001307458540 1069996500 /nfs/dbraw/zinc/99/65/00/1069996500.db2.gz SSZSWOLILVJLJS-XMMPIXPASA-N 1 2 451.615 3.931 20 0 JHADLO Cc1ccc(N(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478443 1070007033 /nfs/dbraw/zinc/00/70/33/1070007033.db2.gz JNZCXHKKJKPNDW-URXFXBBRSA-N 1 2 456.583 3.651 20 0 JHADLO Cc1ccc(N(C(=O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478443 1070007049 /nfs/dbraw/zinc/00/70/49/1070007049.db2.gz JNZCXHKKJKPNDW-URXFXBBRSA-N 1 2 456.583 3.651 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314263786 1070007991 /nfs/dbraw/zinc/00/79/91/1070007991.db2.gz CPOYLLPIXPEYGU-DHTSOJEISA-N 1 2 493.599 3.517 20 0 JHADLO CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](CCOc3ccc(Cl)cc3)CC1)CCO2 ZINC001312551818 1070008987 /nfs/dbraw/zinc/00/89/87/1070008987.db2.gz DTSQMTJWDAQHJT-QFIPXVFZSA-N 1 2 459.974 3.969 20 0 JHADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC001307483938 1070010253 /nfs/dbraw/zinc/01/02/53/1070010253.db2.gz YFEIZKZFTRGTRX-YADHBBJMSA-N 1 2 458.603 3.657 20 0 JHADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC001307483938 1070010267 /nfs/dbraw/zinc/01/02/67/1070010267.db2.gz YFEIZKZFTRGTRX-YADHBBJMSA-N 1 2 458.603 3.657 20 0 JHADLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483934 1070010522 /nfs/dbraw/zinc/01/05/22/1070010522.db2.gz YFEIZKZFTRGTRX-FGZHOGPDSA-N 1 2 458.603 3.657 20 0 JHADLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307483934 1070010540 /nfs/dbraw/zinc/01/05/40/1070010540.db2.gz YFEIZKZFTRGTRX-FGZHOGPDSA-N 1 2 458.603 3.657 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+]1CCC(OCCCOC)CC1)CCCC2 ZINC001307489125 1070013822 /nfs/dbraw/zinc/01/38/22/1070013822.db2.gz HPACIZBQHSHIFG-MRXNPFEDSA-N 1 2 452.617 3.648 20 0 JHADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001307501904 1070020177 /nfs/dbraw/zinc/02/01/77/1070020177.db2.gz UMUOXMQDNGBHBC-IBGZPJMESA-N 1 2 456.612 3.949 20 0 JHADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001307501904 1070020190 /nfs/dbraw/zinc/02/01/90/1070020190.db2.gz UMUOXMQDNGBHBC-IBGZPJMESA-N 1 2 456.612 3.949 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC001307506605 1070023411 /nfs/dbraw/zinc/02/34/11/1070023411.db2.gz FMLWWHUWLVPCFO-IBGZPJMESA-N 1 2 458.580 3.746 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC001307506605 1070023425 /nfs/dbraw/zinc/02/34/25/1070023425.db2.gz FMLWWHUWLVPCFO-IBGZPJMESA-N 1 2 458.580 3.746 20 0 JHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521062 1070031649 /nfs/dbraw/zinc/03/16/49/1070031649.db2.gz GSBNLADKYLQZPX-CVCYQNGTSA-N 1 2 456.608 3.774 20 0 JHADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001307518914 1070030634 /nfs/dbraw/zinc/03/06/34/1070030634.db2.gz XKCLJUUBYGEEIZ-XMMPIXPASA-N 1 2 457.596 3.615 20 0 JHADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001307518914 1070030644 /nfs/dbraw/zinc/03/06/44/1070030644.db2.gz XKCLJUUBYGEEIZ-XMMPIXPASA-N 1 2 457.596 3.615 20 0 JHADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521062 1070031629 /nfs/dbraw/zinc/03/16/29/1070031629.db2.gz GSBNLADKYLQZPX-CVCYQNGTSA-N 1 2 456.608 3.774 20 0 JHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 ZINC001307527253 1070035946 /nfs/dbraw/zinc/03/59/46/1070035946.db2.gz YUZHGHHYHZXDSN-HSZRJFAPSA-N 1 2 456.612 3.649 20 0 JHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 ZINC001307527253 1070035954 /nfs/dbraw/zinc/03/59/54/1070035954.db2.gz YUZHGHHYHZXDSN-HSZRJFAPSA-N 1 2 456.612 3.649 20 0 JHADLO CCOCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001314280726 1070044368 /nfs/dbraw/zinc/04/43/68/1070044368.db2.gz XJEVDMUKCCIHAJ-UHFFFAOYSA-N 1 2 468.602 3.635 20 0 JHADLO CCOCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001314286550 1070060380 /nfs/dbraw/zinc/06/03/80/1070060380.db2.gz NEPOFZPVFJZDKZ-NRFANRHFSA-N 1 2 485.677 3.783 20 0 JHADLO NC(=O)c1c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)sc2c1CCC2 ZINC001307586052 1070065040 /nfs/dbraw/zinc/06/50/40/1070065040.db2.gz DQZDUESUDKHRHN-GOSISDBHSA-N 1 2 455.605 3.572 20 0 JHADLO NC(=O)c1c(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)sc2c1CCC2 ZINC001307586052 1070065056 /nfs/dbraw/zinc/06/50/56/1070065056.db2.gz DQZDUESUDKHRHN-GOSISDBHSA-N 1 2 455.605 3.572 20 0 JHADLO O=C(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc(-n2cnnn2)ccc1Cl ZINC001307599328 1070074067 /nfs/dbraw/zinc/07/40/67/1070074067.db2.gz IQIRESCEEHOFBK-OAQYLSRUSA-N 1 2 454.321 3.682 20 0 JHADLO CO[C@@H]([C@H](C)NC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC001312701794 1070086536 /nfs/dbraw/zinc/08/65/36/1070086536.db2.gz PWKQOXRRPZOBRG-OFVILXPXSA-N 1 2 451.611 3.933 20 0 JHADLO CC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1cccc(S(N)(=O)=O)c1 ZINC001307628386 1070088610 /nfs/dbraw/zinc/08/86/10/1070088610.db2.gz JMKAYCKPUQXMCP-HXUWFJFHSA-N 1 2 458.609 3.521 20 0 JHADLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cs1 ZINC001307648175 1070101022 /nfs/dbraw/zinc/10/10/22/1070101022.db2.gz LGGZPBBSXFYXPX-UHFFFAOYSA-N 1 2 451.976 3.847 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001312767943 1070112173 /nfs/dbraw/zinc/11/21/73/1070112173.db2.gz DHQBDSPXOPOEID-ZBFHGGJFSA-N 1 2 458.828 3.885 20 0 JHADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001312791518 1070122362 /nfs/dbraw/zinc/12/23/62/1070122362.db2.gz XTYQLRRXXSUSCL-UHFFFAOYSA-N 1 2 453.008 3.602 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001314332299 1070126245 /nfs/dbraw/zinc/12/62/45/1070126245.db2.gz YOYKUCLCQIFRRA-HXUWFJFHSA-N 1 2 490.446 3.595 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001314332299 1070126248 /nfs/dbraw/zinc/12/62/48/1070126248.db2.gz YOYKUCLCQIFRRA-HXUWFJFHSA-N 1 2 490.446 3.595 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)[C@H](C)S(C)(=O)=O)cc1 ZINC001307727456 1070152004 /nfs/dbraw/zinc/15/20/04/1070152004.db2.gz UQNOEIRPXWIJFZ-MGPUTAFESA-N 1 2 453.402 3.768 20 0 JHADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC001307759321 1070171079 /nfs/dbraw/zinc/17/10/79/1070171079.db2.gz IWAJIJLZLVAPCE-LBPRGKRZSA-N 1 2 455.930 3.582 20 0 JHADLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001307765213 1070174493 /nfs/dbraw/zinc/17/44/93/1070174493.db2.gz CZYUACHBNYWZCA-WFIKIKRESA-N 1 2 481.515 3.547 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312928495 1070185657 /nfs/dbraw/zinc/18/56/57/1070185657.db2.gz XWONEFMAAXCAHS-ILWGZMRPSA-N 1 2 459.631 3.785 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@H](c3cnn(C)c3)C(C)(C)C1)C[C@@H](C)CC2 ZINC001307799277 1070187215 /nfs/dbraw/zinc/18/72/15/1070187215.db2.gz LODXVEPAWXZFET-MAUKXSAKSA-N 1 2 458.628 3.847 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@H](c3cnn(C)c3)C(C)(C)C1)C[C@@H](C)CC2 ZINC001307799277 1070187219 /nfs/dbraw/zinc/18/72/19/1070187219.db2.gz LODXVEPAWXZFET-MAUKXSAKSA-N 1 2 458.628 3.847 20 0 JHADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC001307799918 1070188103 /nfs/dbraw/zinc/18/81/03/1070188103.db2.gz TVGFYNRAWHWFII-KRWDZBQOSA-N 1 2 457.596 3.700 20 0 JHADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC001307799918 1070188105 /nfs/dbraw/zinc/18/81/05/1070188105.db2.gz TVGFYNRAWHWFII-KRWDZBQOSA-N 1 2 457.596 3.700 20 0 JHADLO CCN1C[C@@H](CNC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1=O ZINC001312967790 1070203803 /nfs/dbraw/zinc/20/38/03/1070203803.db2.gz XPBXEDOBUPFAIJ-DVECYGJZSA-N 1 2 455.002 3.625 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314369933 1070206676 /nfs/dbraw/zinc/20/66/76/1070206676.db2.gz UADPZWNEADCBQP-YLJYHZDGSA-N 1 2 492.615 3.527 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)Nc1ccc(Br)cc1 ZINC001307883367 1070223008 /nfs/dbraw/zinc/22/30/08/1070223008.db2.gz VKIAZBDNEJYDAV-HNNXBMFYSA-N 1 2 455.150 3.698 20 0 JHADLO O=C(C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)Nc1ccc(Br)cc1 ZINC001307883367 1070223017 /nfs/dbraw/zinc/22/30/17/1070223017.db2.gz VKIAZBDNEJYDAV-HNNXBMFYSA-N 1 2 455.150 3.698 20 0 JHADLO Cn1ccnc1[C@@H]([NH2+]CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)(C)CO ZINC001307880442 1070221405 /nfs/dbraw/zinc/22/14/05/1070221405.db2.gz CWHIATUKEOKKBS-XMMPIXPASA-N 1 2 458.566 3.561 20 0 JHADLO CCOC(=O)[C@H](NCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCCC1 ZINC001307881070 1070221593 /nfs/dbraw/zinc/22/15/93/1070221593.db2.gz WXVHEZKJLLJOCZ-OAQYLSRUSA-N 1 2 450.649 3.805 20 0 JHADLO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+](C)CCNC(C)=O)cc1 ZINC001307875517 1070218801 /nfs/dbraw/zinc/21/88/01/1070218801.db2.gz OGWYFTPKSQKFSN-SANMLTNESA-N 1 2 458.562 3.594 20 0 JHADLO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+](C)CCNC(C)=O)cc1 ZINC001307875517 1070218809 /nfs/dbraw/zinc/21/88/09/1070218809.db2.gz OGWYFTPKSQKFSN-SANMLTNESA-N 1 2 458.562 3.594 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC001313021672 1070224200 /nfs/dbraw/zinc/22/42/00/1070224200.db2.gz RNNRBNNGYIOALO-VJBWXMMDSA-N 1 2 456.631 3.975 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001313068627 1070239865 /nfs/dbraw/zinc/23/98/65/1070239865.db2.gz XSQVDUZSWQIMCJ-PCCBWWKXSA-N 1 2 453.587 3.887 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001314390861 1070244790 /nfs/dbraw/zinc/24/47/90/1070244790.db2.gz ASUYPQLJEJGIJO-NRFANRHFSA-N 1 2 493.509 3.861 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCc1cccc(OC)c1 ZINC001314392608 1070249379 /nfs/dbraw/zinc/24/93/79/1070249379.db2.gz SSZRRNMKXNLXCR-UHFFFAOYSA-N 1 2 479.629 3.614 20 0 JHADLO CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001314405980 1070268708 /nfs/dbraw/zinc/26/87/08/1070268708.db2.gz QAHXVGYQAHYFPF-RUZDIDTESA-N 1 2 452.603 3.749 20 0 JHADLO CCOC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314417501 1070284452 /nfs/dbraw/zinc/28/44/52/1070284452.db2.gz KHIHLEVLBXEUNW-QFIPXVFZSA-N 1 2 498.672 3.511 20 0 JHADLO CCOC(=O)C1C(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001308027552 1070284753 /nfs/dbraw/zinc/28/47/53/1070284753.db2.gz JMUWGHUMTNZDCT-IIDMSEBBSA-N 1 2 457.880 3.998 20 0 JHADLO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC001308044124 1070290555 /nfs/dbraw/zinc/29/05/55/1070290555.db2.gz NMSROPUUDTZLGE-LADGPHEKSA-N 1 2 456.583 3.867 20 0 JHADLO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC001308044124 1070290570 /nfs/dbraw/zinc/29/05/70/1070290570.db2.gz NMSROPUUDTZLGE-LADGPHEKSA-N 1 2 456.583 3.867 20 0 JHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001313208645 1070293426 /nfs/dbraw/zinc/29/34/26/1070293426.db2.gz XQLZLHQZQLUOTE-PWRODBHTSA-N 1 2 455.356 3.904 20 0 JHADLO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC001313208552 1070293531 /nfs/dbraw/zinc/29/35/31/1070293531.db2.gz WGYHSJQUSLRQMY-IYZJKTGWSA-N 1 2 454.571 3.593 20 0 JHADLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001313246296 1070303871 /nfs/dbraw/zinc/30/38/71/1070303871.db2.gz ATRMMJJZZIDGNK-JOCHJYFZSA-N 1 2 451.615 3.672 20 0 JHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001313254516 1070307070 /nfs/dbraw/zinc/30/70/70/1070307070.db2.gz VGFKFHODRNQBDY-PIBDYAPNSA-N 1 2 457.619 3.650 20 0 JHADLO Cc1noc(C[C@H]2CCC[N@@H+](CC(=O)N(C)[C@@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114230 1070317296 /nfs/dbraw/zinc/31/72/96/1070317296.db2.gz XCYODYDZEXXUFZ-HOYKHHGWSA-N 1 2 458.990 3.783 20 0 JHADLO Cc1noc(C[C@H]2CCC[N@H+](CC(=O)N(C)[C@@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114230 1070317312 /nfs/dbraw/zinc/31/73/12/1070317312.db2.gz XCYODYDZEXXUFZ-HOYKHHGWSA-N 1 2 458.990 3.783 20 0 JHADLO O=C(C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)NCCc1nc2ccccc2s1 ZINC001308117548 1070319270 /nfs/dbraw/zinc/31/92/70/1070319270.db2.gz WKXOLLFXQCMKGD-SFHVURJKSA-N 1 2 456.999 3.503 20 0 JHADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)NCCc1nc2ccccc2s1 ZINC001308117548 1070319287 /nfs/dbraw/zinc/31/92/87/1070319287.db2.gz WKXOLLFXQCMKGD-SFHVURJKSA-N 1 2 456.999 3.503 20 0 JHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292645 1070319286 /nfs/dbraw/zinc/31/92/86/1070319286.db2.gz YRIQROGWPGXZQF-QGZVFWFLSA-N 1 2 457.566 3.759 20 0 JHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001308174235 1070336406 /nfs/dbraw/zinc/33/64/06/1070336406.db2.gz SNBUMJHRDPJUCW-IGABQKFOSA-N 1 2 456.608 3.821 20 0 JHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001308174235 1070336424 /nfs/dbraw/zinc/33/64/24/1070336424.db2.gz SNBUMJHRDPJUCW-IGABQKFOSA-N 1 2 456.608 3.821 20 0 JHADLO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC001308252362 1070346170 /nfs/dbraw/zinc/34/61/70/1070346170.db2.gz VRVLEDGJKSUIRL-UHFFFAOYSA-N 1 2 458.198 3.566 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCc2nc(Cc3ccccc3)no2)CC1 ZINC001313407566 1070349605 /nfs/dbraw/zinc/34/96/05/1070349605.db2.gz WYLCQAXBCQZGRZ-JOCHJYFZSA-N 1 2 451.546 3.821 20 0 JHADLO Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c2ccccc2)cn1 ZINC001308370001 1070362636 /nfs/dbraw/zinc/36/26/36/1070362636.db2.gz VVQQXMUDSGYBPN-QHCPKHFHSA-N 1 2 451.571 3.949 20 0 JHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308378186 1070364373 /nfs/dbraw/zinc/36/43/73/1070364373.db2.gz ITSMOMAHRXSKLP-KRWDZBQOSA-N 1 2 453.591 3.762 20 0 JHADLO COc1nc(Cl)c(C[NH2+]Cc2cc(Cl)c(I)cc2OC)n1C ZINC001308387321 1070366338 /nfs/dbraw/zinc/36/63/38/1070366338.db2.gz JZTJZGYONCMGDT-UHFFFAOYSA-N 1 2 456.111 3.639 20 0 JHADLO CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314464132 1070373632 /nfs/dbraw/zinc/37/36/32/1070373632.db2.gz HFVVYKLYKGXOMC-NHCUHLMSSA-N 1 2 456.635 3.647 20 0 JHADLO COc1ccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(Br)c1O ZINC001308560996 1070389294 /nfs/dbraw/zinc/38/92/94/1070389294.db2.gz LALKIYSSQAOKTN-QGZVFWFLSA-N 1 2 455.780 3.668 20 0 JHADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001308648746 1070409301 /nfs/dbraw/zinc/40/93/01/1070409301.db2.gz CXNNRJXWQYHEMJ-UHFFFAOYSA-N 1 2 457.408 3.747 20 0 JHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cs1)c1ccccc1 ZINC001308765954 1070433375 /nfs/dbraw/zinc/43/33/75/1070433375.db2.gz MKCDNKQTKDNCRJ-HZPDHXFCSA-N 1 2 452.502 3.670 20 0 JHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cs1)c1ccccc1 ZINC001308765954 1070433383 /nfs/dbraw/zinc/43/33/83/1070433383.db2.gz MKCDNKQTKDNCRJ-HZPDHXFCSA-N 1 2 452.502 3.670 20 0 JHADLO CCO[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308850992 1070448329 /nfs/dbraw/zinc/44/83/29/1070448329.db2.gz LNFCAKJEFKPDFQ-AUUYWEPGSA-N 1 2 470.401 3.936 20 0 JHADLO CCO[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308850992 1070448336 /nfs/dbraw/zinc/44/83/36/1070448336.db2.gz LNFCAKJEFKPDFQ-AUUYWEPGSA-N 1 2 470.401 3.936 20 0 JHADLO Cc1ccc(N2CC[NH+](Cc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001308872979 1070452474 /nfs/dbraw/zinc/45/24/74/1070452474.db2.gz KVGPNIIZPJPLOS-NRFANRHFSA-N 1 2 454.619 3.789 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2C[C@@H](C)OC)cc1OC ZINC001313505331 1070543334 /nfs/dbraw/zinc/54/33/34/1070543334.db2.gz NITBPCJNSWEACW-GOSISDBHSA-N 1 2 480.613 3.801 20 0 JHADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C[C@H](C)O1 ZINC001309102871 1070541909 /nfs/dbraw/zinc/54/19/09/1070541909.db2.gz KRDGWHLUXCYNLZ-VWPQPMDRSA-N 1 2 450.645 3.908 20 0 JHADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C[C@H](C)O1 ZINC001309102871 1070541919 /nfs/dbraw/zinc/54/19/19/1070541919.db2.gz KRDGWHLUXCYNLZ-VWPQPMDRSA-N 1 2 450.645 3.908 20 0 JHADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001314564045 1070567149 /nfs/dbraw/zinc/56/71/49/1070567149.db2.gz IGLHAHXBLSSOSV-CVCYQNGTSA-N 1 2 473.668 3.667 20 0 JHADLO COc1c(C)cnc(C[NH+]2CCC(N(C)S(=O)(=O)c3cc(C)c(F)cc3F)CC2)c1C ZINC001309157510 1070574913 /nfs/dbraw/zinc/57/49/13/1070574913.db2.gz NPWOFGGXTNRURG-UHFFFAOYSA-N 1 2 453.555 3.579 20 0 JHADLO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001313545201 1070648489 /nfs/dbraw/zinc/64/84/89/1070648489.db2.gz FAALSAHHEBVYFT-HXUWFJFHSA-N 1 2 494.644 3.651 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314612448 1070678297 /nfs/dbraw/zinc/67/82/97/1070678297.db2.gz ZNTGQKVTPUCREE-QUCCMNQESA-N 1 2 471.675 3.631 20 0 JHADLO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C[C@@H]1n1cc[nH+]c1 ZINC001309302526 1070683261 /nfs/dbraw/zinc/68/32/61/1070683261.db2.gz XUKHATPFZSIGNB-QRQLOZEOSA-N 1 2 453.992 3.756 20 0 JHADLO CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1)C(C)C ZINC001313583164 1070705083 /nfs/dbraw/zinc/70/50/83/1070705083.db2.gz QHSAQGCZRXQRNT-UHFFFAOYSA-N 1 2 474.407 3.550 20 0 JHADLO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNc1cccc[nH+]1)C(C)C ZINC001313583593 1070706763 /nfs/dbraw/zinc/70/67/63/1070706763.db2.gz WNUGJJSRDOSNCF-UHFFFAOYSA-N 1 2 470.647 3.679 20 0 JHADLO CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001313603060 1070726243 /nfs/dbraw/zinc/72/62/43/1070726243.db2.gz QNNCMTWEPHMIFC-QGZVFWFLSA-N 1 2 456.591 3.833 20 0 JHADLO CN(C)c1ccc(Cn2c(CCOc3ccccc3)nnc2N(C)CC2CC(F)(F)C2)c[nH+]1 ZINC001314658877 1070779833 /nfs/dbraw/zinc/77/98/33/1070779833.db2.gz MNJHWDBZRLJQJF-UHFFFAOYSA-N 1 2 456.541 3.890 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC=CCC2)CC1 ZINC001313647507 1070813785 /nfs/dbraw/zinc/81/37/85/1070813785.db2.gz BVLBRDIRRRLPTI-FQEVSTJZSA-N 1 2 471.049 3.945 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCC(C)(C)C2CC2)CC1 ZINC001313648680 1070817116 /nfs/dbraw/zinc/81/71/16/1070817116.db2.gz UWGMHGXEVHTGCT-UHFFFAOYSA-N 1 2 452.647 3.762 20 0 JHADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1F ZINC001309557552 1070855390 /nfs/dbraw/zinc/85/53/90/1070855390.db2.gz HBXUMUIZMWNQRV-IBGZPJMESA-N 1 2 454.539 3.531 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCc1cccnc1 ZINC001314712202 1070895551 /nfs/dbraw/zinc/89/55/51/1070895551.db2.gz HZERVGMJVIHSRN-FQEVSTJZSA-N 1 2 454.644 3.785 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCC(=O)NC)c[nH+]1 ZINC001313672813 1070905185 /nfs/dbraw/zinc/90/51/85/1070905185.db2.gz HNLLYAZQOYYUAC-UHFFFAOYSA-N 1 2 461.570 3.553 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC001313672882 1070905546 /nfs/dbraw/zinc/90/55/46/1070905546.db2.gz ICCLMFMZNGNUEJ-RTBURBONSA-N 1 2 480.613 3.865 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001313673421 1070907797 /nfs/dbraw/zinc/90/77/97/1070907797.db2.gz MQXZSFJYSMYQKJ-UYAOXDASSA-N 1 2 495.603 3.548 20 0 JHADLO CN(CC(F)(F)F)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314721761 1070919083 /nfs/dbraw/zinc/91/90/83/1070919083.db2.gz MZKWQZGJHSTQQE-UHFFFAOYSA-N 1 2 496.921 3.789 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313677552 1070926278 /nfs/dbraw/zinc/92/62/78/1070926278.db2.gz SXUIKUNVLVCSAY-NRFANRHFSA-N 1 2 492.628 3.733 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CCOC[C@H]2C)c[nH+]1 ZINC001313679228 1070934084 /nfs/dbraw/zinc/93/40/84/1070934084.db2.gz OXRNUIZYFIFIRF-GOSISDBHSA-N 1 2 454.550 3.511 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](CNC(C)=O)C2)c[nH+]1 ZINC001313678805 1070931633 /nfs/dbraw/zinc/93/16/33/1070931633.db2.gz JDVDZOCECSEQOT-OAQYLSRUSA-N 1 2 481.670 3.572 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)c[nH+]1 ZINC001313678779 1070931747 /nfs/dbraw/zinc/93/17/47/1070931747.db2.gz IIZMUTMFTJTNPH-UHFFFAOYSA-N 1 2 481.689 3.995 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCOC(C)(C)[C@@H]2C)c[nH+]1 ZINC001313680117 1070937912 /nfs/dbraw/zinc/93/79/12/1070937912.db2.gz SMUZZFIHSDDQKX-KRWDZBQOSA-N 1 2 469.659 3.927 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)c[nH+]1 ZINC001313680756 1070939634 /nfs/dbraw/zinc/93/96/34/1070939634.db2.gz ONPTVLMWOGYZFI-JOCHJYFZSA-N 1 2 466.634 3.796 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccc1 ZINC001309709762 1070935436 /nfs/dbraw/zinc/93/54/36/1070935436.db2.gz OGSPXRBIEZIWAG-INIZCTEOSA-N 1 2 456.312 3.723 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313694827 1070958045 /nfs/dbraw/zinc/95/80/45/1070958045.db2.gz CKNMWRAMOWJFKL-DBXWQHBBSA-N 1 2 456.639 3.544 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313694827 1070958056 /nfs/dbraw/zinc/95/80/56/1070958056.db2.gz CKNMWRAMOWJFKL-DBXWQHBBSA-N 1 2 456.639 3.544 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001309848760 1070995207 /nfs/dbraw/zinc/99/52/07/1070995207.db2.gz AYZPMCMWCHVVPU-IAGOWNOFSA-N 1 2 468.419 3.926 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001309848760 1070995218 /nfs/dbraw/zinc/99/52/18/1070995218.db2.gz AYZPMCMWCHVVPU-IAGOWNOFSA-N 1 2 468.419 3.926 20 0 JHADLO CN(Cc1ccccc1C(F)(F)F)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314748489 1070997733 /nfs/dbraw/zinc/99/77/33/1070997733.db2.gz HCQFXKVOXUKVAJ-LJQANCHMSA-N 1 2 467.536 3.896 20 0 JHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(n4cc(Br)cn4)CC3)n2)C1 ZINC001310034790 1071073951 /nfs/dbraw/zinc/07/39/51/1071073951.db2.gz QXUOXFQQLCRJAL-ZDUSSCGKSA-N 1 2 453.410 3.645 20 0 JHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(n4cc(Br)cn4)CC3)n2)C1 ZINC001310034790 1071073965 /nfs/dbraw/zinc/07/39/65/1071073965.db2.gz QXUOXFQQLCRJAL-ZDUSSCGKSA-N 1 2 453.410 3.645 20 0 JHADLO CCN(CC1CCC1)c1nnc(COc2ccc(C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313769404 1071118675 /nfs/dbraw/zinc/11/86/75/1071118675.db2.gz AYXBVPAZYWBMRM-UHFFFAOYSA-N 1 2 454.663 3.818 20 0 JHADLO CCN(CC1CCC1)c1nnc(COc2ccc(C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313769404 1071118685 /nfs/dbraw/zinc/11/86/85/1071118685.db2.gz AYXBVPAZYWBMRM-UHFFFAOYSA-N 1 2 454.663 3.818 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCOc2cccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001310141005 1071149263 /nfs/dbraw/zinc/14/92/63/1071149263.db2.gz XSOOMVBBXVOJOM-IYBDPMFKSA-N 1 2 452.477 3.910 20 0 JHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCOc2cccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001310141005 1071149268 /nfs/dbraw/zinc/14/92/68/1071149268.db2.gz XSOOMVBBXVOJOM-IYBDPMFKSA-N 1 2 452.477 3.910 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)C2)cc1 ZINC001310146640 1071155007 /nfs/dbraw/zinc/15/50/07/1071155007.db2.gz PEAJGODZMBUNGF-XMMPIXPASA-N 1 2 450.583 3.690 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)C2)cc1 ZINC001310146640 1071155018 /nfs/dbraw/zinc/15/50/18/1071155018.db2.gz PEAJGODZMBUNGF-XMMPIXPASA-N 1 2 450.583 3.690 20 0 JHADLO CCN(C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1)CC(F)(F)F ZINC001313788084 1071172337 /nfs/dbraw/zinc/17/23/37/1071172337.db2.gz HTEKPILJFYAXJG-LJQANCHMSA-N 1 2 490.578 3.725 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3ccccc3)n1CCCN(C)CC(F)(F)F)C2 ZINC001314848043 1071207352 /nfs/dbraw/zinc/20/73/52/1071207352.db2.gz FLZMUZNPHFPYGU-UHFFFAOYSA-N 1 2 473.547 3.853 20 0 JHADLO CC(C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001310210227 1071208631 /nfs/dbraw/zinc/20/86/31/1071208631.db2.gz YJVXKXWTPKFCNY-OAQYLSRUSA-N 1 2 452.603 3.692 20 0 JHADLO CC(C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001310210227 1071208646 /nfs/dbraw/zinc/20/86/46/1071208646.db2.gz YJVXKXWTPKFCNY-OAQYLSRUSA-N 1 2 452.603 3.692 20 0 JHADLO CN(CCCNC(=O)C1CCC1)c1nnc(C(C)(C)C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314855522 1071236144 /nfs/dbraw/zinc/23/61/44/1071236144.db2.gz RWBUMYMMWCEVDM-HXUWFJFHSA-N 1 2 476.616 3.899 20 0 JHADLO COC(=O)C[C@@](C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC001310285185 1071269884 /nfs/dbraw/zinc/26/98/84/1071269884.db2.gz AOVFFFMURBNSBP-XMMPIXPASA-N 1 2 452.511 3.571 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 ZINC001310284804 1071269927 /nfs/dbraw/zinc/26/99/27/1071269927.db2.gz XRNASBQSVBNITD-UHFFFAOYSA-N 1 2 458.559 3.915 20 0 JHADLO CC(C)(C)OC(=O)N1CCC2(CN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)C2)CC1 ZINC001310285490 1071270002 /nfs/dbraw/zinc/27/00/02/1071270002.db2.gz IGJIXWXUVBWQSF-UHFFFAOYSA-N 1 2 455.559 3.827 20 0 JHADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1)[NH+]1CCOCC1 ZINC001310290179 1071273300 /nfs/dbraw/zinc/27/33/00/1071273300.db2.gz IZOPHCBHYCJIIU-HXHBTQRASA-N 1 2 458.603 3.989 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1ccccc1OCC(F)(F)F ZINC001314873781 1071290873 /nfs/dbraw/zinc/29/08/73/1071290873.db2.gz IEBWQCKGXWVASI-UHFFFAOYSA-N 1 2 495.571 3.688 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313826371 1071295500 /nfs/dbraw/zinc/29/55/00/1071295500.db2.gz MUKHKFRTLONIHL-JOCHJYFZSA-N 1 2 498.678 3.729 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)C1 ZINC001310349632 1071329980 /nfs/dbraw/zinc/32/99/80/1071329980.db2.gz XWXSTKXGQKDLKX-GOSISDBHSA-N 1 2 456.509 3.950 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001310354721 1071333337 /nfs/dbraw/zinc/33/33/37/1071333337.db2.gz FYZLTGZDXVMOLB-AZUAARDMSA-N 1 2 451.493 3.692 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCc1cccc(C)[nH+]1 ZINC001314946545 1071405621 /nfs/dbraw/zinc/40/56/21/1071405621.db2.gz TVIMYNJPGLRTJO-SFHVURJKSA-N 1 2 457.582 3.648 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001313868553 1071404456 /nfs/dbraw/zinc/40/44/56/1071404456.db2.gz OADNEBHAWCXPFP-FCHUYYIVSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001313868553 1071404461 /nfs/dbraw/zinc/40/44/61/1071404461.db2.gz OADNEBHAWCXPFP-FCHUYYIVSA-N 1 2 487.714 3.730 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314951263 1071420213 /nfs/dbraw/zinc/42/02/13/1071420213.db2.gz PMZXRVVMFXBRRH-IBGZPJMESA-N 1 2 473.625 3.951 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC001310480709 1071422338 /nfs/dbraw/zinc/42/23/38/1071422338.db2.gz QQKYORQVFVPBDV-FQEVSTJZSA-N 1 2 452.525 3.983 20 0 JHADLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)C[C@H]1n1cc[nH+]c1 ZINC001310481460 1071423697 /nfs/dbraw/zinc/42/36/97/1071423697.db2.gz HEQLYNKPJUPQKL-PLMTUMEDSA-N 1 2 454.575 3.775 20 0 JHADLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)C[C@@H]1n1cc[nH+]c1 ZINC001310481457 1071423859 /nfs/dbraw/zinc/42/38/59/1071423859.db2.gz HEQLYNKPJUPQKL-BLIXFSHQSA-N 1 2 454.575 3.775 20 0 JHADLO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001314991741 1071507239 /nfs/dbraw/zinc/50/72/39/1071507239.db2.gz XZOKCPRRHKLTDI-IBGZPJMESA-N 1 2 452.990 3.897 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929075 1071586088 /nfs/dbraw/zinc/58/60/88/1071586088.db2.gz XIPQVWIKTLRMJA-HSZRJFAPSA-N 1 2 454.663 3.736 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314037570 1071830825 /nfs/dbraw/zinc/83/08/25/1071830825.db2.gz MOFPPTUNMBWLQI-DNQXCXABSA-N 1 2 498.672 3.573 20 0 JHADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314140436 1072053974 /nfs/dbraw/zinc/05/39/74/1072053974.db2.gz LDIOHRPYWBXWCL-PXDATVDWSA-N 1 2 457.619 3.518 20 0 JHADLO CCc1nc(CCn2c(-c3ccc(CC)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001305925442 1068220842 /nfs/dbraw/zinc/22/08/42/1068220842.db2.gz KTOKCLLZIWRDIU-UHFFFAOYSA-N 1 2 454.644 3.538 20 0 JHADLO CCCCN1C(=O)CC[C@@H](C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)[C@H]1c1ccccc1OC ZINC001305932549 1068233375 /nfs/dbraw/zinc/23/33/75/1068233375.db2.gz DOQKBENYANKVAZ-RCZVLFRGSA-N 1 2 452.599 3.979 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CC[C@@H](C(=O)OC)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305979219 1068321878 /nfs/dbraw/zinc/32/18/78/1068321878.db2.gz LYHBTHIZUDTGMW-OAQYLSRUSA-N 1 2 463.582 3.755 20 0 JHADLO CCc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cs1 ZINC001306021405 1068412104 /nfs/dbraw/zinc/41/21/04/1068412104.db2.gz QHUYQVRGAPXOHL-UHFFFAOYSA-N 1 2 457.648 3.747 20 0 JHADLO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306133107 1068535800 /nfs/dbraw/zinc/53/58/00/1068535800.db2.gz NVKFUFDBNIIJAT-FQEVSTJZSA-N 1 2 479.595 3.985 20 0 JHADLO CCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001306157848 1068555922 /nfs/dbraw/zinc/55/59/22/1068555922.db2.gz RSEIJJISQPDJET-UHFFFAOYSA-N 1 2 461.401 3.678 20 0 JHADLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001306261558 1068671929 /nfs/dbraw/zinc/67/19/29/1068671929.db2.gz SPCWAIXCAUYIQP-HSZRJFAPSA-N 1 2 462.598 3.525 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306278300 1068692348 /nfs/dbraw/zinc/69/23/48/1068692348.db2.gz SNKQHHAVLKMXDG-DFQSSKMNSA-N 1 2 486.617 3.663 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001306395328 1068839527 /nfs/dbraw/zinc/83/95/27/1068839527.db2.gz ADCJBLNNMKTIMR-LJQANCHMSA-N 1 2 473.419 3.998 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306400183 1068857698 /nfs/dbraw/zinc/85/76/98/1068857698.db2.gz ZTZBIXCJEXVEIY-MRXNPFEDSA-N 1 2 477.432 3.830 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001306404224 1068868924 /nfs/dbraw/zinc/86/89/24/1068868924.db2.gz ZEKIGYZJDBZVJJ-AZUAARDMSA-N 1 2 489.667 3.576 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001306452376 1068972975 /nfs/dbraw/zinc/97/29/75/1068972975.db2.gz PCEQCHYKJKMSFY-QHCPKHFHSA-N 1 2 486.730 3.832 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001306452376 1068972985 /nfs/dbraw/zinc/97/29/85/1068972985.db2.gz PCEQCHYKJKMSFY-QHCPKHFHSA-N 1 2 486.730 3.832 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306458839 1068991312 /nfs/dbraw/zinc/99/13/12/1068991312.db2.gz SEGOHVFIFPBZFE-GOSISDBHSA-N 1 2 455.584 3.649 20 0 JHADLO COCCS(=O)(=O)c1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC001310555255 1069014886 /nfs/dbraw/zinc/01/48/86/1069014886.db2.gz BDBOVIOQEFEWNL-UHFFFAOYSA-N 1 2 452.536 3.666 20 0 JHADLO CC/C=C/Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306477914 1069018106 /nfs/dbraw/zinc/01/81/06/1069018106.db2.gz JMQMHBKGRIKXPW-MHNQQFQPSA-N 1 2 497.644 3.576 20 0 JHADLO CC/C=C/Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001306486558 1069025104 /nfs/dbraw/zinc/02/51/04/1069025104.db2.gz QLMHLAMKQOAMKK-SNAWJCMRSA-N 1 2 450.562 3.700 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754046 1069151010 /nfs/dbraw/zinc/15/10/10/1069151010.db2.gz JWFJRTMYDJAPII-PKOBYXMFSA-N 1 2 450.992 3.884 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754046 1069151018 /nfs/dbraw/zinc/15/10/18/1069151018.db2.gz JWFJRTMYDJAPII-PKOBYXMFSA-N 1 2 450.992 3.884 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754045 1069151198 /nfs/dbraw/zinc/15/11/98/1069151198.db2.gz JWFJRTMYDJAPII-MJGOQNOKSA-N 1 2 450.992 3.884 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754045 1069151203 /nfs/dbraw/zinc/15/12/03/1069151203.db2.gz JWFJRTMYDJAPII-MJGOQNOKSA-N 1 2 450.992 3.884 20 0 JHADLO CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2C1 ZINC001310819993 1069177333 /nfs/dbraw/zinc/17/73/33/1069177333.db2.gz GXMUWAJXSLLHFA-IBGZPJMESA-N 1 2 453.543 3.612 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N[C@@H](C1CC1)C(F)(F)F ZINC001310844928 1069190703 /nfs/dbraw/zinc/19/07/03/1069190703.db2.gz JHBPGNSILFBGET-FQEVSTJZSA-N 1 2 451.468 3.687 20 0 JHADLO C[C@@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001311080082 1069266809 /nfs/dbraw/zinc/26/68/09/1069266809.db2.gz JADOJUPEDAIVLX-OAQYLSRUSA-N 1 2 452.452 3.790 20 0 JHADLO C[C@@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001311080082 1069266818 /nfs/dbraw/zinc/26/68/18/1069266818.db2.gz JADOJUPEDAIVLX-OAQYLSRUSA-N 1 2 452.452 3.790 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)ncn3)CC2)cc1 ZINC001164695414 719830029 /nfs/dbraw/zinc/83/00/29/719830029.db2.gz CMXQCHURWFAWGN-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)cc1 ZINC001164695546 719830508 /nfs/dbraw/zinc/83/05/08/719830508.db2.gz FCPOLXIIFGQKKX-UHFFFAOYSA-N 1 2 472.927 3.766 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164706778 719847523 /nfs/dbraw/zinc/84/75/23/719847523.db2.gz YKKOLLYZGRFFBF-AVRDEDQJSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164706077 719847711 /nfs/dbraw/zinc/84/77/11/719847711.db2.gz WEMFKPFTVOIMHL-MPBGBICISA-N 1 2 473.788 3.823 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164704025 719863010 /nfs/dbraw/zinc/86/30/10/719863010.db2.gz QOVIAUBZCFZPRK-VFNWGFHPSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1Cl ZINC001164703482 719878295 /nfs/dbraw/zinc/87/82/95/719878295.db2.gz SNNXNUTUNSFWLR-QRQCRPRQSA-N 1 2 481.380 3.808 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164821151 720378727 /nfs/dbraw/zinc/37/87/27/720378727.db2.gz YAUSYJPTQYBKAA-UHFFFAOYSA-N 1 2 499.644 3.770 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164821151 720378735 /nfs/dbraw/zinc/37/87/35/720378735.db2.gz YAUSYJPTQYBKAA-UHFFFAOYSA-N 1 2 499.644 3.770 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(SCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821071 720382933 /nfs/dbraw/zinc/38/29/33/720382933.db2.gz DOPUWBQQJSDSHO-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(SCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821071 720382940 /nfs/dbraw/zinc/38/29/40/720382940.db2.gz DOPUWBQQJSDSHO-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164822933 720385084 /nfs/dbraw/zinc/38/50/84/720385084.db2.gz NEWDLRURXFEEFA-UHFFFAOYSA-N 1 2 490.555 3.785 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164822933 720385090 /nfs/dbraw/zinc/38/50/90/720385090.db2.gz NEWDLRURXFEEFA-UHFFFAOYSA-N 1 2 490.555 3.785 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164830635 720459676 /nfs/dbraw/zinc/45/96/76/720459676.db2.gz KMAJREBDPRIQPK-SFHVURJKSA-N 1 2 491.970 3.619 20 0 JHADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758263 720983378 /nfs/dbraw/zinc/98/33/78/720983378.db2.gz UPWYMPYNWUAMSY-AWEZNQCLSA-N 1 2 450.877 3.589 20 0 JHADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)[C@@H]2C ZINC001164862555 721011813 /nfs/dbraw/zinc/01/18/13/721011813.db2.gz QYSNHBXHMPQLCD-QGZVFWFLSA-N 1 2 472.590 3.639 20 0 JHADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)[C@@H]2C ZINC001164862555 721011820 /nfs/dbraw/zinc/01/18/20/721011820.db2.gz QYSNHBXHMPQLCD-QGZVFWFLSA-N 1 2 472.590 3.639 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164766058 721273135 /nfs/dbraw/zinc/27/31/35/721273135.db2.gz MRJFTJCLAWAMRE-HXUWFJFHSA-N 1 2 487.995 3.953 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[C@]4(CCN(CC)C4=O)C3)c2c1C ZINC001164776122 721320569 /nfs/dbraw/zinc/32/05/69/721320569.db2.gz CEHRFFLEGDDHIW-QUGAMOGWSA-N 1 2 499.681 3.857 20 0 JHADLO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164778605 721324985 /nfs/dbraw/zinc/32/49/85/721324985.db2.gz QEMCCTQLHMPCMW-OAQYLSRUSA-N 1 2 475.568 3.776 20 0 JHADLO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164778605 721324988 /nfs/dbraw/zinc/32/49/88/721324988.db2.gz QEMCCTQLHMPCMW-OAQYLSRUSA-N 1 2 475.568 3.776 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908602 721559747 /nfs/dbraw/zinc/55/97/47/721559747.db2.gz QUNWKXPUJFTWKW-UNMCSNQZSA-N 1 2 486.544 3.503 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908602 721559749 /nfs/dbraw/zinc/55/97/49/721559749.db2.gz QUNWKXPUJFTWKW-UNMCSNQZSA-N 1 2 486.544 3.503 20 0 JHADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915284 721801560 /nfs/dbraw/zinc/80/15/60/721801560.db2.gz VMKFXYXYZVNSES-JOCHJYFZSA-N 1 2 464.944 3.660 20 0 JHADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915284 721801562 /nfs/dbraw/zinc/80/15/62/721801562.db2.gz VMKFXYXYZVNSES-JOCHJYFZSA-N 1 2 464.944 3.660 20 0 JHADLO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164919413 721809065 /nfs/dbraw/zinc/80/90/65/721809065.db2.gz XPXRJPWPNIREPM-JHMXWDHMSA-N 1 2 477.634 3.692 20 0 JHADLO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164919413 721809067 /nfs/dbraw/zinc/80/90/67/721809067.db2.gz XPXRJPWPNIREPM-JHMXWDHMSA-N 1 2 477.634 3.692 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164951502 721980258 /nfs/dbraw/zinc/98/02/58/721980258.db2.gz ZZSPSKDJMKQXBU-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164951502 721980260 /nfs/dbraw/zinc/98/02/60/721980260.db2.gz ZZSPSKDJMKQXBU-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306632083 1069332905 /nfs/dbraw/zinc/33/29/05/1069332905.db2.gz JMEMUWYIICCSGD-ZCYQVOJMSA-N 1 2 484.689 3.505 20 0 JHADLO CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001306641147 1069351575 /nfs/dbraw/zinc/35/15/75/1069351575.db2.gz LEDGQZOZPVTUMA-UHFFFAOYSA-N 1 2 489.462 3.642 20 0 JHADLO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)NCCCNc2cccc[nH+]2)n1 ZINC001311447800 1069383508 /nfs/dbraw/zinc/38/35/08/1069383508.db2.gz KSCRHEQLBYWRJP-QLCVBSLISA-N 1 2 457.644 3.948 20 0 JHADLO O=C(NCCOc1cccc(F)c1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001311480094 1069397240 /nfs/dbraw/zinc/39/72/40/1069397240.db2.gz YDGWCBYIHKIVHB-UHFFFAOYSA-N 1 2 451.296 3.669 20 0 JHADLO CC(=O)N1CCC(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC001311548326 1069434144 /nfs/dbraw/zinc/43/41/44/1069434144.db2.gz XNGHMOXSBZMIIX-XMMPIXPASA-N 1 2 455.002 3.768 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306728831 1069476641 /nfs/dbraw/zinc/47/66/41/1069476641.db2.gz FHTXUVFIPNMUNW-IFMALSPDSA-N 1 2 467.662 3.795 20 0 JHADLO O=C(NCCCCn1cc[nH+]c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001311652665 1069489758 /nfs/dbraw/zinc/48/97/58/1069489758.db2.gz INDDTYRJLPQEDE-UHFFFAOYSA-N 1 2 451.546 3.913 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H]1C(F)(F)F ZINC001311682162 1069502442 /nfs/dbraw/zinc/50/24/42/1069502442.db2.gz JVNGHBFCDQCVDM-GDBMZVCRSA-N 1 2 471.455 3.608 20 0 JHADLO O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001311699232 1069509529 /nfs/dbraw/zinc/50/95/29/1069509529.db2.gz HNKVCEHWZSZOJA-XMMPIXPASA-N 1 2 459.587 3.668 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)C1 ZINC001311724549 1069522143 /nfs/dbraw/zinc/52/21/43/1069522143.db2.gz VELIATSHAZDMLI-HNNXBMFYSA-N 1 2 457.402 3.830 20 0 JHADLO Cc1[nH]c2ccc(CNC(=O)N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2c1C ZINC001311734671 1069526948 /nfs/dbraw/zinc/52/69/48/1069526948.db2.gz KKVHIDUDUBFOQV-FQEVSTJZSA-N 1 2 455.603 3.621 20 0 JHADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311826066 1069563953 /nfs/dbraw/zinc/56/39/53/1069563953.db2.gz AXIKHBMBNMYAII-LJQANCHMSA-N 1 2 456.344 3.633 20 0 JHADLO COc1ccccc1C1(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC001311825228 1069563055 /nfs/dbraw/zinc/56/30/55/1069563055.db2.gz YUGGMPVWPGTYNX-UHFFFAOYSA-N 1 2 457.372 3.987 20 0 JHADLO CCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306781333 1069579416 /nfs/dbraw/zinc/57/94/16/1069579416.db2.gz GHULFNMWMTVCBA-SESVDKBCSA-N 1 2 499.660 3.563 20 0 JHADLO COc1cc(Br)c(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC001311864143 1069587229 /nfs/dbraw/zinc/58/72/29/1069587229.db2.gz NZHKFDNDTDBFJL-GOSISDBHSA-N 1 2 459.344 3.904 20 0 JHADLO CCCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001306800170 1069604991 /nfs/dbraw/zinc/60/49/91/1069604991.db2.gz WELADHJTUYQOIQ-VWLOTQADSA-N 1 2 473.687 3.918 20 0 JHADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC(C)(C)CC(C)(C)C1 ZINC001311902198 1069606043 /nfs/dbraw/zinc/60/60/43/1069606043.db2.gz AJUNZVCLZDTXKQ-IBGZPJMESA-N 1 2 458.651 3.528 20 0 JHADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC(C)(C)CC(C)(C)C1 ZINC001311902198 1069606045 /nfs/dbraw/zinc/60/60/45/1069606045.db2.gz AJUNZVCLZDTXKQ-IBGZPJMESA-N 1 2 458.651 3.528 20 0 JHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001311974258 1069645011 /nfs/dbraw/zinc/64/50/11/1069645011.db2.gz YCZUVRVVIVIRCK-DENIHFKCSA-N 1 2 453.587 3.736 20 0 JHADLO CCOc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314171151 1069684689 /nfs/dbraw/zinc/68/46/89/1069684689.db2.gz YORLWPWKMKTRPT-QFIPXVFZSA-N 1 2 480.613 3.723 20 0 JHADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 ZINC001312038471 1069687681 /nfs/dbraw/zinc/68/76/81/1069687681.db2.gz WGXZPYJXIOCDDW-QHCPKHFHSA-N 1 2 458.553 3.780 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001314176788 1069707389 /nfs/dbraw/zinc/70/73/89/1069707389.db2.gz UXIMPCPHFJJCOE-MHZLTWQESA-N 1 2 492.624 3.651 20 0 JHADLO CCCN(CCn1c(CC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)C(=O)OC(C)(C)C ZINC001307013497 1069718115 /nfs/dbraw/zinc/71/81/15/1069718115.db2.gz OWZIOAYCCLJPLV-UHFFFAOYSA-N 1 2 457.623 3.511 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001314182903 1069730300 /nfs/dbraw/zinc/73/03/00/1069730300.db2.gz FGHTYAZXTSPTEJ-IBGZPJMESA-N 1 2 459.635 3.631 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001314182903 1069730306 /nfs/dbraw/zinc/73/03/06/1069730306.db2.gz FGHTYAZXTSPTEJ-IBGZPJMESA-N 1 2 459.635 3.631 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001314182904 1069730437 /nfs/dbraw/zinc/73/04/37/1069730437.db2.gz FGHTYAZXTSPTEJ-LJQANCHMSA-N 1 2 459.635 3.631 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001314182904 1069730440 /nfs/dbraw/zinc/73/04/40/1069730440.db2.gz FGHTYAZXTSPTEJ-LJQANCHMSA-N 1 2 459.635 3.631 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(C3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001314185502 1069737661 /nfs/dbraw/zinc/73/76/61/1069737661.db2.gz TVANHLABBWRCKL-LJQANCHMSA-N 1 2 457.619 3.700 20 0 JHADLO CCCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001307029722 1069737343 /nfs/dbraw/zinc/73/73/43/1069737343.db2.gz RCDHYDXRHVYJCA-UHFFFAOYSA-N 1 2 453.566 3.955 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001312162046 1069758488 /nfs/dbraw/zinc/75/84/88/1069758488.db2.gz DSCUOIJGFOTPTK-NZQKXSOJSA-N 1 2 457.018 3.851 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC=CCC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001314193697 1069762046 /nfs/dbraw/zinc/76/20/46/1069762046.db2.gz NTTKRQDLOAQWOF-HXUWFJFHSA-N 1 2 455.603 3.694 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCS[C@@H](CC)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314200177 1069790811 /nfs/dbraw/zinc/79/08/11/1069790811.db2.gz OMZSAJZMUYCQLM-VIZSFHNOSA-N 1 2 489.686 3.869 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314215927 1069848382 /nfs/dbraw/zinc/84/83/82/1069848382.db2.gz NPSIMFYXIHKBJD-ATKRNPRHSA-N 1 2 471.646 3.991 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314215927 1069848404 /nfs/dbraw/zinc/84/84/04/1069848404.db2.gz NPSIMFYXIHKBJD-ATKRNPRHSA-N 1 2 471.646 3.991 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCc3ccc(F)c(F)c3F)[nH+]c12 ZINC001312359737 1069886195 /nfs/dbraw/zinc/88/61/95/1069886195.db2.gz BKHTXDLOUAVWOT-UHFFFAOYSA-N 1 2 455.278 3.907 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H]2C(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314224157 1069883701 /nfs/dbraw/zinc/88/37/01/1069883701.db2.gz LOADGHANYUAQMW-SFTDATJTSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H]2C(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314224157 1069883720 /nfs/dbraw/zinc/88/37/20/1069883720.db2.gz LOADGHANYUAQMW-SFTDATJTSA-N 1 2 457.619 3.601 20 0 JHADLO CN(C)c1cc(C(F)(F)F)nc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC001307096799 1069890045 /nfs/dbraw/zinc/89/00/45/1069890045.db2.gz PESKKOBUQHBEPV-UHFFFAOYSA-N 1 2 459.314 3.819 20 0 JHADLO COc1c(C)c[nH+]c(CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c1C ZINC001307275308 1069924292 /nfs/dbraw/zinc/92/42/92/1069924292.db2.gz KVDQVHBETVCJMO-UHFFFAOYSA-N 1 2 457.575 3.729 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312423629 1069925872 /nfs/dbraw/zinc/92/58/72/1069925872.db2.gz AXIXXYBNLIENIR-KSEOMHKRSA-N 1 2 459.974 3.933 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312423629 1069925880 /nfs/dbraw/zinc/92/58/80/1069925880.db2.gz AXIXXYBNLIENIR-KSEOMHKRSA-N 1 2 459.974 3.933 20 0 JHADLO COc1ccc(/C=C2\N=C(SCC[N@@H+]3CCO[C@@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282201 1069927243 /nfs/dbraw/zinc/92/72/43/1069927243.db2.gz ZJWHPDIPCRQXGP-QSSXUJFUSA-N 1 2 451.592 3.888 20 0 JHADLO COc1ccc(/C=C2\N=C(SCC[N@H+]3CCO[C@@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282201 1069927258 /nfs/dbraw/zinc/92/72/58/1069927258.db2.gz ZJWHPDIPCRQXGP-QSSXUJFUSA-N 1 2 451.592 3.888 20 0 JHADLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425758 1069928163 /nfs/dbraw/zinc/92/81/63/1069928163.db2.gz LOKPUSQYKABCLK-PNDGYVOYSA-N 1 2 456.974 3.657 20 0 JHADLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425758 1069928171 /nfs/dbraw/zinc/92/81/71/1069928171.db2.gz LOKPUSQYKABCLK-PNDGYVOYSA-N 1 2 456.974 3.657 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001312425738 1069928300 /nfs/dbraw/zinc/92/83/00/1069928300.db2.gz LBKJJIXVRZFPHU-WOJBJXKFSA-N 1 2 451.995 3.525 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001312425738 1069928305 /nfs/dbraw/zinc/92/83/05/1069928305.db2.gz LBKJJIXVRZFPHU-WOJBJXKFSA-N 1 2 451.995 3.525 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001312427130 1069930026 /nfs/dbraw/zinc/93/00/26/1069930026.db2.gz UUUSMFOHCGWHSR-REWPJTCUSA-N 1 2 458.990 3.575 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001312427130 1069930035 /nfs/dbraw/zinc/93/00/35/1069930035.db2.gz UUUSMFOHCGWHSR-REWPJTCUSA-N 1 2 458.990 3.575 20 0 JHADLO O=C(NCc1cccnc1OCC(F)F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312433646 1069934122 /nfs/dbraw/zinc/93/41/22/1069934122.db2.gz WCHKXIGFKGMGJR-UHFFFAOYSA-N 1 2 458.431 3.772 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@]3(C)CCCc4ccccc43)C2)CC1 ZINC001312435792 1069934834 /nfs/dbraw/zinc/93/48/34/1069934834.db2.gz OHFDJTCERTVUNP-QFQXNSOFSA-N 1 2 456.631 3.617 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H]3[C@@H](O)c3ccccc3)[nH+]c12 ZINC001312474212 1069958892 /nfs/dbraw/zinc/95/88/92/1069958892.db2.gz ARWPSVBZUKDBBB-PMACEKPBSA-N 1 2 457.372 3.855 20 0 JHADLO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC001307416948 1069974980 /nfs/dbraw/zinc/97/49/80/1069974980.db2.gz XKFKDMZBJWPHGU-UHFFFAOYSA-N 1 2 454.402 3.717 20 0 JHADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001307446215 1069987652 /nfs/dbraw/zinc/98/76/52/1069987652.db2.gz PDGBWWWHYMCZLQ-CQSZACIVSA-N 1 2 454.411 3.958 20 0 JHADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001307446215 1069987665 /nfs/dbraw/zinc/98/76/65/1069987665.db2.gz PDGBWWWHYMCZLQ-CQSZACIVSA-N 1 2 454.411 3.958 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@H](C)C2)cc1 ZINC001307450506 1069990976 /nfs/dbraw/zinc/99/09/76/1069990976.db2.gz MZRQQOVMHSYHBV-WOJBJXKFSA-N 1 2 450.583 3.611 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@H](C)C2)cc1 ZINC001307450506 1069990985 /nfs/dbraw/zinc/99/09/85/1069990985.db2.gz MZRQQOVMHSYHBV-WOJBJXKFSA-N 1 2 450.583 3.611 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@H](C)C2)cc1 ZINC001307450504 1069991071 /nfs/dbraw/zinc/99/10/71/1069991071.db2.gz MZRQQOVMHSYHBV-UXHICEINSA-N 1 2 450.583 3.611 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@H](C)C2)cc1 ZINC001307450504 1069991083 /nfs/dbraw/zinc/99/10/83/1069991083.db2.gz MZRQQOVMHSYHBV-UXHICEINSA-N 1 2 450.583 3.611 20 0 JHADLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001307454341 1069994693 /nfs/dbraw/zinc/99/46/93/1069994693.db2.gz RBMRKDRJXIFRFD-QGZVFWFLSA-N 1 2 459.612 3.641 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)N1CCC12CCCC2 ZINC001312586203 1070030715 /nfs/dbraw/zinc/03/07/15/1070030715.db2.gz MDQQPGISQKCBKK-SFHVURJKSA-N 1 2 453.368 3.984 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)N1CCC12CCCC2 ZINC001312586203 1070030722 /nfs/dbraw/zinc/03/07/22/1070030722.db2.gz MDQQPGISQKCBKK-SFHVURJKSA-N 1 2 453.368 3.984 20 0 JHADLO CSc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001307539298 1070042299 /nfs/dbraw/zinc/04/22/99/1070042299.db2.gz FBULKEJBGSSULV-SFHVURJKSA-N 1 2 454.514 3.625 20 0 JHADLO CCOCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001314283543 1070052469 /nfs/dbraw/zinc/05/24/69/1070052469.db2.gz WGPISODOVFZAHE-UHFFFAOYSA-N 1 2 470.021 3.773 20 0 JHADLO CCOCc1nnc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001314299165 1070082284 /nfs/dbraw/zinc/08/22/84/1070082284.db2.gz HVQJVRUEPDOHMP-UHFFFAOYSA-N 1 2 491.640 3.858 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCCSC1 ZINC001314303642 1070089000 /nfs/dbraw/zinc/08/90/00/1070089000.db2.gz JWFPJDRMCKNDCR-OALUTQOASA-N 1 2 465.689 3.529 20 0 JHADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(F)c1 ZINC001314304016 1070089861 /nfs/dbraw/zinc/08/98/61/1070089861.db2.gz LZOQHVCDYQENCR-HXUWFJFHSA-N 1 2 459.591 3.573 20 0 JHADLO CSc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)[NH+](C)C)cc1 ZINC001312753076 1070104424 /nfs/dbraw/zinc/10/44/24/1070104424.db2.gz DYZDKPROELPVNS-KKXDTOCCSA-N 1 2 453.655 3.679 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC/C=C/c3ccc(Br)cc3)C2)cc1 ZINC001312755689 1070106125 /nfs/dbraw/zinc/10/61/25/1070106125.db2.gz RTWHORWIMIXSQE-ZZTDINLMSA-N 1 2 458.400 3.971 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC/C=C/c3ccc(Br)cc3)C2)cc1 ZINC001312755689 1070106131 /nfs/dbraw/zinc/10/61/31/1070106131.db2.gz RTWHORWIMIXSQE-ZZTDINLMSA-N 1 2 458.400 3.971 20 0 JHADLO O=C(NCc1ccccc1)C1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001312765265 1070111487 /nfs/dbraw/zinc/11/14/87/1070111487.db2.gz GEHHRPXOUXUCSM-UHFFFAOYSA-N 1 2 451.958 3.764 20 0 JHADLO CN(C)C(=O)CC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC001307672859 1070117030 /nfs/dbraw/zinc/11/70/30/1070117030.db2.gz XRIKTMNQJAAKHM-OAQYLSRUSA-N 1 2 456.974 3.801 20 0 JHADLO C[N@H+](Cc1ccc2c(c1)CCC2)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001307690046 1070128223 /nfs/dbraw/zinc/12/82/23/1070128223.db2.gz GQBZXPCQRDVCDK-UHFFFAOYSA-N 1 2 452.414 3.993 20 0 JHADLO C[N@@H+](Cc1ccc2c(c1)CCC2)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001307690046 1070128232 /nfs/dbraw/zinc/12/82/32/1070128232.db2.gz GQBZXPCQRDVCDK-UHFFFAOYSA-N 1 2 452.414 3.993 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC001312796126 1070126598 /nfs/dbraw/zinc/12/65/98/1070126598.db2.gz YIYHGYBVMDKNHF-FQEVSTJZSA-N 1 2 459.553 3.653 20 0 JHADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NCCCN2CCCCCC2=O)ccc1Br ZINC001307724248 1070148562 /nfs/dbraw/zinc/14/85/62/1070148562.db2.gz ORTIUJMSQYRRCD-FQEVSTJZSA-N 1 2 450.421 3.803 20 0 JHADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NCCCN2CCCCCC2=O)ccc1Br ZINC001307724248 1070148567 /nfs/dbraw/zinc/14/85/67/1070148567.db2.gz ORTIUJMSQYRRCD-FQEVSTJZSA-N 1 2 450.421 3.803 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC001307724068 1070148684 /nfs/dbraw/zinc/14/86/84/1070148684.db2.gz JQPDZUGPBUJRAQ-FDFHNCONSA-N 1 2 451.567 3.619 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC001307724068 1070148687 /nfs/dbraw/zinc/14/86/87/1070148687.db2.gz JQPDZUGPBUJRAQ-FDFHNCONSA-N 1 2 451.567 3.619 20 0 JHADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H](COC)c3ccc(Cl)cc3)nc2c1 ZINC001307727385 1070152178 /nfs/dbraw/zinc/15/21/78/1070152178.db2.gz TWTKDVGZUXSYPN-FQEVSTJZSA-N 1 2 450.992 3.724 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001307732908 1070155947 /nfs/dbraw/zinc/15/59/47/1070155947.db2.gz SLWZECRRZSJTIT-RCCFBDPRSA-N 1 2 450.601 3.780 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001307732908 1070155954 /nfs/dbraw/zinc/15/59/54/1070155954.db2.gz SLWZECRRZSJTIT-RCCFBDPRSA-N 1 2 450.601 3.780 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(Br)s1 ZINC001314354893 1070175391 /nfs/dbraw/zinc/17/53/91/1070175391.db2.gz IMCOQQALBKMBEQ-UHFFFAOYSA-N 1 2 491.459 3.905 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CCCc1cccc(C)[nH+]1 ZINC001314360171 1070183664 /nfs/dbraw/zinc/18/36/64/1070183664.db2.gz JNWPQBJODJHGRB-OAQYLSRUSA-N 1 2 477.613 3.709 20 0 JHADLO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC001307790428 1070183800 /nfs/dbraw/zinc/18/38/00/1070183800.db2.gz DZGHAIROPXUCEI-UHFFFAOYSA-N 1 2 452.580 3.942 20 0 JHADLO CCOC(=O)c1csc(C[NH+]2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)n1 ZINC001307839592 1070207427 /nfs/dbraw/zinc/20/74/27/1070207427.db2.gz IGTYVDQSVMRCBE-FUHWJXTLSA-N 1 2 453.605 3.604 20 0 JHADLO COC(=O)[C@@H]1C[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1c1ccc(F)cc1F ZINC001307859741 1070214043 /nfs/dbraw/zinc/21/40/43/1070214043.db2.gz GNTZNJYLEWTOPK-VQTJNVASSA-N 1 2 471.529 3.991 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1c1ccc(F)cc1F ZINC001307859741 1070214048 /nfs/dbraw/zinc/21/40/48/1070214048.db2.gz GNTZNJYLEWTOPK-VQTJNVASSA-N 1 2 471.529 3.991 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C)CCC2 ZINC001307864915 1070216222 /nfs/dbraw/zinc/21/62/22/1070216222.db2.gz GMWWHDZDTMLVMW-HNNXBMFYSA-N 1 2 450.601 3.938 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C)CCC2 ZINC001307864915 1070216240 /nfs/dbraw/zinc/21/62/40/1070216240.db2.gz GMWWHDZDTMLVMW-HNNXBMFYSA-N 1 2 450.601 3.938 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001307866613 1070217241 /nfs/dbraw/zinc/21/72/41/1070217241.db2.gz ZYYACBYQKQZAED-INIZCTEOSA-N 1 2 451.637 3.787 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001307866613 1070217253 /nfs/dbraw/zinc/21/72/53/1070217253.db2.gz ZYYACBYQKQZAED-INIZCTEOSA-N 1 2 451.637 3.787 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001307883703 1070223326 /nfs/dbraw/zinc/22/33/26/1070223326.db2.gz ZUUAXGIZQMRAJN-KSZLIROESA-N 1 2 451.748 3.518 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001307883703 1070223340 /nfs/dbraw/zinc/22/33/40/1070223340.db2.gz ZUUAXGIZQMRAJN-KSZLIROESA-N 1 2 451.748 3.518 20 0 JHADLO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314384710 1070229388 /nfs/dbraw/zinc/22/93/88/1070229388.db2.gz FJPDPKFNNWANDC-UHFFFAOYSA-N 1 2 499.660 3.695 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC001307911267 1070236065 /nfs/dbraw/zinc/23/60/65/1070236065.db2.gz XRKCUTJFEAQMMT-IIAWOOMASA-N 1 2 457.884 3.888 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC001307911267 1070236075 /nfs/dbraw/zinc/23/60/75/1070236075.db2.gz XRKCUTJFEAQMMT-IIAWOOMASA-N 1 2 457.884 3.888 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCC[C@H]12 ZINC001307911266 1070236197 /nfs/dbraw/zinc/23/61/97/1070236197.db2.gz XRKCUTJFEAQMMT-FMKPAKJESA-N 1 2 457.884 3.888 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCC[C@H]12 ZINC001307911266 1070236206 /nfs/dbraw/zinc/23/62/06/1070236206.db2.gz XRKCUTJFEAQMMT-FMKPAKJESA-N 1 2 457.884 3.888 20 0 JHADLO O=C(CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307911395 1070236787 /nfs/dbraw/zinc/23/67/87/1070236787.db2.gz SPEQFKJLXFDATO-SFHVURJKSA-N 1 2 451.468 3.510 20 0 JHADLO O=C(CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307911395 1070236800 /nfs/dbraw/zinc/23/68/00/1070236800.db2.gz SPEQFKJLXFDATO-SFHVURJKSA-N 1 2 451.468 3.510 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001313068278 1070239798 /nfs/dbraw/zinc/23/97/98/1070239798.db2.gz VZNLEMCIBLFYGT-HLAWJBBLSA-N 1 2 455.603 3.896 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088820 1070246103 /nfs/dbraw/zinc/24/61/03/1070246103.db2.gz KPAGZOVWZVFTSN-CLJLJLNGSA-N 1 2 457.622 3.523 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088820 1070246115 /nfs/dbraw/zinc/24/61/15/1070246115.db2.gz KPAGZOVWZVFTSN-CLJLJLNGSA-N 1 2 457.622 3.523 20 0 JHADLO COC(=O)c1cnc(C2CC[NH+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC2)s1 ZINC001307940709 1070251865 /nfs/dbraw/zinc/25/18/65/1070251865.db2.gz LLMVETKJMSHURR-UHFFFAOYSA-N 1 2 459.587 3.876 20 0 JHADLO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001307945681 1070254041 /nfs/dbraw/zinc/25/40/41/1070254041.db2.gz DDIZARRGVFWFOT-DUXKGJEZSA-N 1 2 468.541 3.685 20 0 JHADLO CSc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001307945681 1070254052 /nfs/dbraw/zinc/25/40/52/1070254052.db2.gz DDIZARRGVFWFOT-DUXKGJEZSA-N 1 2 468.541 3.685 20 0 JHADLO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961616 1070259496 /nfs/dbraw/zinc/25/94/96/1070259496.db2.gz GRDYYQZHBXMCOX-KOSHJBKYSA-N 1 2 456.612 3.952 20 0 JHADLO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961616 1070259514 /nfs/dbraw/zinc/25/95/14/1070259514.db2.gz GRDYYQZHBXMCOX-KOSHJBKYSA-N 1 2 456.612 3.952 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166530 1070277326 /nfs/dbraw/zinc/27/73/26/1070277326.db2.gz BYDYKOGXZFQVEV-JWQCQUIFSA-N 1 2 451.611 3.789 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166530 1070277348 /nfs/dbraw/zinc/27/73/48/1070277348.db2.gz BYDYKOGXZFQVEV-JWQCQUIFSA-N 1 2 451.611 3.789 20 0 JHADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001308009631 1070278318 /nfs/dbraw/zinc/27/83/18/1070278318.db2.gz BRKXJOILIPVBFN-DYVFJYSZSA-N 1 2 451.420 3.671 20 0 JHADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001308009631 1070278334 /nfs/dbraw/zinc/27/83/34/1070278334.db2.gz BRKXJOILIPVBFN-DYVFJYSZSA-N 1 2 451.420 3.671 20 0 JHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313174124 1070280955 /nfs/dbraw/zinc/28/09/55/1070280955.db2.gz FOBAZCHGVKSRBI-KSZLIROESA-N 1 2 456.509 3.660 20 0 JHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313174124 1070280964 /nfs/dbraw/zinc/28/09/64/1070280964.db2.gz FOBAZCHGVKSRBI-KSZLIROESA-N 1 2 456.509 3.660 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001313177904 1070282714 /nfs/dbraw/zinc/28/27/14/1070282714.db2.gz BHHVCRCQTBRVEK-IFJBLMCRSA-N 1 2 455.624 3.684 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001313177904 1070282726 /nfs/dbraw/zinc/28/27/26/1070282726.db2.gz BHHVCRCQTBRVEK-IFJBLMCRSA-N 1 2 455.624 3.684 20 0 JHADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)C[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC001308028727 1070285562 /nfs/dbraw/zinc/28/55/62/1070285562.db2.gz SGGOVDFKGQJAHR-XMMPIXPASA-N 1 2 457.640 3.795 20 0 JHADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)C[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC001308028727 1070285568 /nfs/dbraw/zinc/28/55/68/1070285568.db2.gz SGGOVDFKGQJAHR-XMMPIXPASA-N 1 2 457.640 3.795 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001308039672 1070288019 /nfs/dbraw/zinc/28/80/19/1070288019.db2.gz MORHHHPCXWLPDV-NHTMILBNSA-N 1 2 456.583 3.774 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001308039672 1070288025 /nfs/dbraw/zinc/28/80/25/1070288025.db2.gz MORHHHPCXWLPDV-NHTMILBNSA-N 1 2 456.583 3.774 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)COCc2ccccc2)cc1 ZINC001308040139 1070289158 /nfs/dbraw/zinc/28/91/58/1070289158.db2.gz STXGLIYMCGWHLQ-UPVQGACJSA-N 1 2 456.583 3.867 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)COCc2ccccc2)cc1 ZINC001308040139 1070289167 /nfs/dbraw/zinc/28/91/67/1070289167.db2.gz STXGLIYMCGWHLQ-UPVQGACJSA-N 1 2 456.583 3.867 20 0 JHADLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001313232363 1070299922 /nfs/dbraw/zinc/29/99/22/1070299922.db2.gz LBZRZEVNYJBLII-IFMALSPDSA-N 1 2 452.555 3.606 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c[nH+]ccc2OC)C1 ZINC001314424975 1070301601 /nfs/dbraw/zinc/30/16/01/1070301601.db2.gz IQHUWTPEIPTTMG-QGZVFWFLSA-N 1 2 457.525 3.852 20 0 JHADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001308095020 1070309436 /nfs/dbraw/zinc/30/94/36/1070309436.db2.gz WFHCZXSRLWYJHO-LBPRGKRZSA-N 1 2 453.511 3.503 20 0 JHADLO C[N@H+](CCc1nccc(C(F)(F)F)n1)CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC001308140507 1070326326 /nfs/dbraw/zinc/32/63/26/1070326326.db2.gz HGYLBUYTBWDKOK-UHFFFAOYSA-N 1 2 458.484 3.865 20 0 JHADLO C[N@@H+](CCc1nccc(C(F)(F)F)n1)CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC001308140507 1070326339 /nfs/dbraw/zinc/32/63/39/1070326339.db2.gz HGYLBUYTBWDKOK-UHFFFAOYSA-N 1 2 458.484 3.865 20 0 JHADLO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCOc2c(Cl)cc(Br)cc2C1 ZINC001308140718 1070326863 /nfs/dbraw/zinc/32/68/63/1070326863.db2.gz JQXXJEDKWWZSLY-UHFFFAOYSA-N 1 2 454.777 3.917 20 0 JHADLO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCOc2c(Cl)cc(Br)cc2C1 ZINC001308140718 1070326880 /nfs/dbraw/zinc/32/68/80/1070326880.db2.gz JQXXJEDKWWZSLY-UHFFFAOYSA-N 1 2 454.777 3.917 20 0 JHADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2I)c(Cl)c1 ZINC001308143959 1070327792 /nfs/dbraw/zinc/32/77/92/1070327792.db2.gz QGCVRULNRVQCHP-SJKOYZFVSA-N 1 2 458.727 3.903 20 0 JHADLO COc1cc([C@H](C)[NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)ccc1S(C)(=O)=O ZINC001308168867 1070334121 /nfs/dbraw/zinc/33/41/21/1070334121.db2.gz UVPVCBZPIBLVTG-LBPRGKRZSA-N 1 2 459.549 3.920 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172126 1070335373 /nfs/dbraw/zinc/33/53/73/1070335373.db2.gz CMTAAUUMPANABB-OPAMFIHVSA-N 1 2 451.637 3.692 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172126 1070335394 /nfs/dbraw/zinc/33/53/94/1070335394.db2.gz CMTAAUUMPANABB-OPAMFIHVSA-N 1 2 451.637 3.692 20 0 JHADLO CCOCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314451733 1070349475 /nfs/dbraw/zinc/34/94/75/1070349475.db2.gz IYTDPRLMQQRGRP-UHFFFAOYSA-N 1 2 455.994 3.840 20 0 JHADLO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001314465242 1070375861 /nfs/dbraw/zinc/37/58/61/1070375861.db2.gz XGTGAYPXOYGVNJ-UHFFFAOYSA-N 1 2 488.434 3.562 20 0 JHADLO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC001308627454 1070405717 /nfs/dbraw/zinc/40/57/17/1070405717.db2.gz ZJFIYEKFDJUDAM-UHFFFAOYSA-N 1 2 453.587 3.502 20 0 JHADLO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC001308627454 1070405723 /nfs/dbraw/zinc/40/57/23/1070405723.db2.gz ZJFIYEKFDJUDAM-UHFFFAOYSA-N 1 2 453.587 3.502 20 0 JHADLO O=C(CN1CC[NH+](Cc2ccc3scnc3c2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC001308655197 1070411677 /nfs/dbraw/zinc/41/16/77/1070411677.db2.gz AYEIWJFNXLZFSS-UHFFFAOYSA-N 1 2 450.486 3.951 20 0 JHADLO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)nc(N2CCCC2)n1 ZINC001308802762 1070440388 /nfs/dbraw/zinc/44/03/88/1070440388.db2.gz UISXNKROEDGZDG-LJQANCHMSA-N 1 2 455.603 3.826 20 0 JHADLO COc1cc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)ccc1OC(=O)C1CC1 ZINC001308842107 1070446916 /nfs/dbraw/zinc/44/69/16/1070446916.db2.gz PWWGDDQSSNRRHL-UHFFFAOYSA-N 1 2 454.489 3.920 20 0 JHADLO COc1cc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)ccc1OC(=O)C1CC1 ZINC001308842107 1070446921 /nfs/dbraw/zinc/44/69/21/1070446921.db2.gz PWWGDDQSSNRRHL-UHFFFAOYSA-N 1 2 454.489 3.920 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001313468666 1070448931 /nfs/dbraw/zinc/44/89/31/1070448931.db2.gz NWSONNUDAXEHSJ-UHFFFAOYSA-N 1 2 468.989 3.793 20 0 JHADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)c1ccccc1Cl ZINC001309014854 1070485476 /nfs/dbraw/zinc/48/54/76/1070485476.db2.gz ZIXYZMDVHRXCDD-NKSQBSFPSA-N 1 2 450.988 3.888 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314515544 1070486778 /nfs/dbraw/zinc/48/67/78/1070486778.db2.gz HKCSTXWHMUFFIE-VQIMIIECSA-N 1 2 480.034 3.754 20 0 JHADLO COc1cc(OC)cc(S(=O)(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC001309065607 1070519354 /nfs/dbraw/zinc/51/93/54/1070519354.db2.gz GGTGPORSKDGOEH-QFIPXVFZSA-N 1 2 458.605 3.843 20 0 JHADLO COc1cc(OC)cc(S(=O)(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC001309065607 1070519366 /nfs/dbraw/zinc/51/93/66/1070519366.db2.gz GGTGPORSKDGOEH-QFIPXVFZSA-N 1 2 458.605 3.843 20 0 JHADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001309128314 1070553829 /nfs/dbraw/zinc/55/38/29/1070553829.db2.gz BWYIKSUOWFTKDR-LSDHHAIUSA-N 1 2 459.033 3.540 20 0 JHADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001309128314 1070553836 /nfs/dbraw/zinc/55/38/36/1070553836.db2.gz BWYIKSUOWFTKDR-LSDHHAIUSA-N 1 2 459.033 3.540 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314605529 1070662746 /nfs/dbraw/zinc/66/27/46/1070662746.db2.gz AKNCHSDIBDAWDT-SFHVURJKSA-N 1 2 455.632 3.521 20 0 JHADLO O=S(=O)(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCC(C(F)(F)F)CC1 ZINC001309284144 1070669094 /nfs/dbraw/zinc/66/90/94/1070669094.db2.gz IYWDKENLHMICQJ-UHFFFAOYSA-N 1 2 453.958 3.503 20 0 JHADLO CCC[C@H](C(=O)OCC)S(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001309344165 1070711753 /nfs/dbraw/zinc/71/17/53/1070711753.db2.gz NYTAIWAPJRZYHO-GOSISDBHSA-N 1 2 451.416 3.609 20 0 JHADLO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001313583278 1070705571 /nfs/dbraw/zinc/70/55/71/1070705571.db2.gz DYNONBHILAXWEL-IBGZPJMESA-N 1 2 475.018 3.509 20 0 JHADLO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)[nH+]c1)C1CCCC1 ZINC001313584718 1070708901 /nfs/dbraw/zinc/70/89/01/1070708901.db2.gz NJVJZCLEXQITTP-UHFFFAOYSA-N 1 2 468.627 3.627 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCNc2cccc[nH+]2)C1 ZINC001314626063 1070715667 /nfs/dbraw/zinc/71/56/67/1070715667.db2.gz RAQYRYUSHNCZQQ-IBGZPJMESA-N 1 2 480.617 3.626 20 0 JHADLO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@@H](C)C1CCC1 ZINC001313609923 1070734901 /nfs/dbraw/zinc/73/49/01/1070734901.db2.gz PIDHGKLQAYEITB-IBGZPJMESA-N 1 2 473.065 3.701 20 0 JHADLO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314647958 1070751210 /nfs/dbraw/zinc/75/12/10/1070751210.db2.gz CTXCEDWXTNRKSF-WOJBJXKFSA-N 1 2 471.556 3.568 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H]2CCOC2)c[nH+]1 ZINC001314660070 1070783288 /nfs/dbraw/zinc/78/32/88/1070783288.db2.gz FGXOAZTZKNKOPP-INIZCTEOSA-N 1 2 475.366 3.581 20 0 JHADLO CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314662101 1070788404 /nfs/dbraw/zinc/78/84/04/1070788404.db2.gz XYKRNDLCNWDHBO-LJQANCHMSA-N 1 2 455.607 3.548 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@@H]3CCCCO3)n1CC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001314663520 1070792606 /nfs/dbraw/zinc/79/26/06/1070792606.db2.gz GJEYODLEMQDXJC-FQEVSTJZSA-N 1 2 499.660 3.847 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001314660738 1070785232 /nfs/dbraw/zinc/78/52/32/1070785232.db2.gz IPGDHWPQUGBRTQ-NRFANRHFSA-N 1 2 493.631 3.648 20 0 JHADLO Cn1cnc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1Cl ZINC001309493963 1070809343 /nfs/dbraw/zinc/80/93/43/1070809343.db2.gz PYEWBABSXHJKTB-ZDUSSCGKSA-N 1 2 459.321 3.631 20 0 JHADLO Cn1cnc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1Cl ZINC001309493963 1070809372 /nfs/dbraw/zinc/80/93/72/1070809372.db2.gz PYEWBABSXHJKTB-ZDUSSCGKSA-N 1 2 459.321 3.631 20 0 JHADLO CN(c1nnc(-c2cc(Br)c[nH]2)n1CCCNc1cccc[nH+]1)[C@H]1CCSC1 ZINC001314681089 1070833572 /nfs/dbraw/zinc/83/35/72/1070833572.db2.gz VOHHAHRXSZXOPV-HNNXBMFYSA-N 1 2 462.421 3.875 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001314706521 1070876374 /nfs/dbraw/zinc/87/63/74/1070876374.db2.gz DBUMVTYMESZTDP-UHFFFAOYSA-N 1 2 482.032 3.993 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1OCCC1(C)C ZINC001314712256 1070896048 /nfs/dbraw/zinc/89/60/48/1070896048.db2.gz JIFONPBVLOKHIS-QUCCMNQESA-N 1 2 461.676 3.962 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C ZINC001314712441 1070897022 /nfs/dbraw/zinc/89/70/22/1070897022.db2.gz NAKLEJYAVBNMPC-RBUKOAKNSA-N 1 2 463.648 3.516 20 0 JHADLO CN(CC(C)(C)C)c1nnc(CNC(=O)c2cccs2)n1CCc1cn2ccccc2[nH+]1 ZINC001314714942 1070904973 /nfs/dbraw/zinc/90/49/73/1070904973.db2.gz BOJSZMKODFSJOG-UHFFFAOYSA-N 1 2 451.600 3.642 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2cccs2)c[nH+]1 ZINC001313674410 1070911352 /nfs/dbraw/zinc/91/13/52/1070911352.db2.gz JCAVFKNYIRYXEP-KRWDZBQOSA-N 1 2 455.632 3.965 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC001313674665 1070913478 /nfs/dbraw/zinc/91/34/78/1070913478.db2.gz VGEYDFRZMBWXLJ-UGKGYDQZSA-N 1 2 497.669 3.519 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)c[nH+]1 ZINC001313675085 1070914183 /nfs/dbraw/zinc/91/41/83/1070914183.db2.gz YURQEUHSHPHQHM-GOSISDBHSA-N 1 2 488.434 3.940 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)c1ccco1 ZINC001313676956 1070923794 /nfs/dbraw/zinc/92/37/94/1070923794.db2.gz HBEILPYVGMLSGE-FGZHOGPDSA-N 1 2 485.654 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)c[nH+]1 ZINC001313677277 1070924331 /nfs/dbraw/zinc/92/43/31/1070924331.db2.gz NMIUHKOOQJCTJB-QFIPXVFZSA-N 1 2 482.032 3.993 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001313677401 1070924428 /nfs/dbraw/zinc/92/44/28/1070924428.db2.gz PFXFXMFEUGLXIA-UHFFFAOYSA-N 1 2 491.640 3.596 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N(C)CC(=O)NC(C)(C)C)c[nH+]1 ZINC001313677559 1070926116 /nfs/dbraw/zinc/92/61/16/1070926116.db2.gz TVYDZIIHEJASHB-UHFFFAOYSA-N 1 2 479.629 3.594 20 0 JHADLO CN(Cc1cc(F)cc(F)c1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314724786 1070927236 /nfs/dbraw/zinc/92/72/36/1070927236.db2.gz QJYKSGVKUPCGHT-UHFFFAOYSA-N 1 2 456.541 3.770 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCCN(CC(F)(F)F)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678893 1070932893 /nfs/dbraw/zinc/93/28/93/1070932893.db2.gz MNQORTICTFYANJ-UHFFFAOYSA-N 1 2 467.584 3.940 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(Cc3nc(C)c(C)o3)CC2)c[nH+]1 ZINC001313680554 1070938909 /nfs/dbraw/zinc/93/89/09/1070938909.db2.gz VZDCECDKOJSPTO-UHFFFAOYSA-N 1 2 480.661 3.693 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001309709370 1070934760 /nfs/dbraw/zinc/93/47/60/1070934760.db2.gz DGNRCRGCTIURMN-SFHVURJKSA-N 1 2 452.349 3.725 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@@H](COC)C2)c[nH+]1 ZINC001313679610 1070936185 /nfs/dbraw/zinc/93/61/85/1070936185.db2.gz OPSPETFKCOZYKF-HSZRJFAPSA-N 1 2 463.630 3.806 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c[nH+]1 ZINC001313681126 1070940550 /nfs/dbraw/zinc/94/05/50/1070940550.db2.gz QCLSFENWGKLCQF-UHFFFAOYSA-N 1 2 490.656 3.633 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCSC(C)(C)C2)c[nH+]1 ZINC001313680171 1070937803 /nfs/dbraw/zinc/93/78/03/1070937803.db2.gz WWQLDERBGMVZMR-UHFFFAOYSA-N 1 2 499.710 3.891 20 0 JHADLO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnn(C)c2)n1CCCNc1cccc[nH+]1 ZINC001313730958 1071045624 /nfs/dbraw/zinc/04/56/24/1071045624.db2.gz ZYKSBASTJJQUHR-UHFFFAOYSA-N 1 2 452.513 3.881 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC001310008534 1071054986 /nfs/dbraw/zinc/05/49/86/1071054986.db2.gz GBPISESECBICGE-INIZCTEOSA-N 1 2 458.481 3.744 20 0 JHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCN(C(=O)c4ccccc4F)CC3)n2)C1 ZINC001310035432 1071075052 /nfs/dbraw/zinc/07/50/52/1071075052.db2.gz ZPXXPZMCURHNNB-INIZCTEOSA-N 1 2 459.591 3.940 20 0 JHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCN(C(=O)c4ccccc4F)CC3)n2)C1 ZINC001310035432 1071075039 /nfs/dbraw/zinc/07/50/39/1071075039.db2.gz ZPXXPZMCURHNNB-INIZCTEOSA-N 1 2 459.591 3.940 20 0 JHADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)[nH+]c12 ZINC001310073243 1071099172 /nfs/dbraw/zinc/09/91/72/1071099172.db2.gz NLZMUZGQKLWMNI-UHFFFAOYSA-N 1 2 455.584 3.572 20 0 JHADLO CCN(CC1CCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313765673 1071113593 /nfs/dbraw/zinc/11/35/93/1071113593.db2.gz AWUYGSWEPOHQKS-NRFANRHFSA-N 1 2 471.627 3.871 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001313774963 1071131011 /nfs/dbraw/zinc/13/10/11/1071131011.db2.gz XLRORELRGKOPSW-WIYYLYMNSA-N 1 2 456.541 3.927 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C)n1CC(=O)N(C)C1CCCCC1 ZINC001313778188 1071138601 /nfs/dbraw/zinc/13/86/01/1071138601.db2.gz FSGSJHIXSVSWHI-UHFFFAOYSA-N 1 2 453.635 3.516 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CCC1 ZINC001313778202 1071138626 /nfs/dbraw/zinc/13/86/26/1071138626.db2.gz GDLXNYMUGFVAEV-UHFFFAOYSA-N 1 2 488.702 3.582 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001313778991 1071141088 /nfs/dbraw/zinc/14/10/88/1071141088.db2.gz MGPWYPBANAJICJ-NRFANRHFSA-N 1 2 467.662 3.529 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)C)n1C[C@H]1NC(=O)CC1(C)C ZINC001313778994 1071141140 /nfs/dbraw/zinc/14/11/40/1071141140.db2.gz MGPWYPBANAJICJ-OAQYLSRUSA-N 1 2 467.662 3.529 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001313779437 1071142335 /nfs/dbraw/zinc/14/23/35/1071142335.db2.gz OIMJEQVMHBMYFG-UHFFFAOYSA-N 1 2 489.550 3.645 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001310140452 1071148669 /nfs/dbraw/zinc/14/86/69/1071148669.db2.gz SUQHXEJSNDJRDP-BVFVYWQFSA-N 1 2 451.567 3.644 20 0 JHADLO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001310140452 1071148675 /nfs/dbraw/zinc/14/86/75/1071148675.db2.gz SUQHXEJSNDJRDP-BVFVYWQFSA-N 1 2 451.567 3.644 20 0 JHADLO CN(CCc1nccs1)c1nnc(Cc2ccncc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314836947 1071179057 /nfs/dbraw/zinc/17/90/57/1071179057.db2.gz FLIKAYRJVZVCGO-HXUWFJFHSA-N 1 2 483.592 3.980 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1C(F)(F)F ZINC001314870205 1071280208 /nfs/dbraw/zinc/28/02/08/1071280208.db2.gz CJTZLHVPSXXAPA-FQEVSTJZSA-N 1 2 467.536 3.550 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@H](F)C1 ZINC001314871185 1071283463 /nfs/dbraw/zinc/28/34/63/1071283463.db2.gz ZPAXAZVSLCLCQH-HOTGVXAUSA-N 1 2 484.389 3.753 20 0 JHADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(OC2CCCCC2)cc1 ZINC001310310646 1071292173 /nfs/dbraw/zinc/29/21/73/1071292173.db2.gz QIPNACCDJHIDGV-UHFFFAOYSA-N 1 2 451.571 3.654 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313826372 1071295357 /nfs/dbraw/zinc/29/53/57/1071295357.db2.gz MUKHKFRTLONIHL-QFIPXVFZSA-N 1 2 498.678 3.729 20 0 JHADLO Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC001310325830 1071308828 /nfs/dbraw/zinc/30/88/28/1071308828.db2.gz RHWSJYGAEDTDOJ-QHCPKHFHSA-N 1 2 455.599 3.854 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001310354724 1071333400 /nfs/dbraw/zinc/33/34/00/1071333400.db2.gz FYZLTGZDXVMOLB-UYAOXDASSA-N 1 2 451.493 3.692 20 0 JHADLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366401 1071343204 /nfs/dbraw/zinc/34/32/04/1071343204.db2.gz NNDTXSDOSAPXSS-NHCUHLMSSA-N 1 2 458.946 3.798 20 0 JHADLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366401 1071343222 /nfs/dbraw/zinc/34/32/22/1071343222.db2.gz NNDTXSDOSAPXSS-NHCUHLMSSA-N 1 2 458.946 3.798 20 0 JHADLO COCc1c(Cl)cccc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001310415574 1071377827 /nfs/dbraw/zinc/37/78/27/1071377827.db2.gz OCLYWLORINUYTO-INIZCTEOSA-N 1 2 452.983 3.645 20 0 JHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001310418368 1071379024 /nfs/dbraw/zinc/37/90/24/1071379024.db2.gz JXRSBJYPTDWHRP-HSZRJFAPSA-N 1 2 459.550 3.598 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cccnc3OCC(F)F)[nH+]c12 ZINC001310446891 1071395539 /nfs/dbraw/zinc/39/55/39/1071395539.db2.gz WOWOPFMTJFUIQZ-UHFFFAOYSA-N 1 2 454.275 3.808 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c[nH+]ccc1OC ZINC001314951211 1071420333 /nfs/dbraw/zinc/42/03/33/1071420333.db2.gz OLCKZPJTOJBFGP-INIZCTEOSA-N 1 2 468.627 3.546 20 0 JHADLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)C[C@@H]1n1cc[nH+]c1 ZINC001310481459 1071423754 /nfs/dbraw/zinc/42/37/54/1071423754.db2.gz HEQLYNKPJUPQKL-MMOPVJDHSA-N 1 2 454.575 3.775 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926185 1071575568 /nfs/dbraw/zinc/57/55/68/1071575568.db2.gz AZXHDZPBHZQLAF-PKTZIBPZSA-N 1 2 486.730 3.832 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926667 1071577427 /nfs/dbraw/zinc/57/74/27/1071577427.db2.gz FDIOPZZZYZTKFY-OAQYLSRUSA-N 1 2 490.643 3.981 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926666 1071577512 /nfs/dbraw/zinc/57/75/12/1071577512.db2.gz FDIOPZZZYZTKFY-NRFANRHFSA-N 1 2 490.643 3.981 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927219 1071579346 /nfs/dbraw/zinc/57/93/46/1071579346.db2.gz IQHVHLNHQXPJKB-QHCPKHFHSA-N 1 2 484.689 3.585 20 0 JHADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cc(F)ccc4OC)CC3)n2CCC=C(C)C)CCOC1 ZINC001314138988 1072052150 /nfs/dbraw/zinc/05/21/50/1072052150.db2.gz ZOJBUFIHMIIJDU-AREMUKBSSA-N 1 2 487.620 3.756 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001305924311 1068220298 /nfs/dbraw/zinc/22/02/98/1068220298.db2.gz DSXMEDACAVZLFU-HXUWFJFHSA-N 1 2 486.661 3.531 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1c[nH+]ccc1OC ZINC001305979269 1068321722 /nfs/dbraw/zinc/32/17/22/1068321722.db2.gz XXXKSWZEVKLSTK-UHFFFAOYSA-N 1 2 481.988 3.895 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001306002221 1068374770 /nfs/dbraw/zinc/37/47/70/1068374770.db2.gz IDZQVUGDFAZCHZ-GOSISDBHSA-N 1 2 485.658 3.535 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001306003417 1068378469 /nfs/dbraw/zinc/37/84/69/1068378469.db2.gz PMYLUKMVRSXHBZ-INIZCTEOSA-N 1 2 465.631 3.713 20 0 JHADLO CCc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001306101344 1068518430 /nfs/dbraw/zinc/51/84/30/1068518430.db2.gz IPYKDJMSICFVBZ-UHFFFAOYSA-N 1 2 487.377 3.631 20 0 JHADLO CCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306121764 1068530447 /nfs/dbraw/zinc/53/04/47/1068530447.db2.gz QDYGDGWADMHNHG-ZDUSSCGKSA-N 1 2 492.472 3.662 20 0 JHADLO CCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306121764 1068530455 /nfs/dbraw/zinc/53/04/55/1068530455.db2.gz QDYGDGWADMHNHG-ZDUSSCGKSA-N 1 2 492.472 3.662 20 0 JHADLO CCc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001306161871 1068557718 /nfs/dbraw/zinc/55/77/18/1068557718.db2.gz RLMOAYHUBBNJDV-RTBURBONSA-N 1 2 457.623 3.867 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001306197926 1068590756 /nfs/dbraw/zinc/59/07/56/1068590756.db2.gz UALNGYZBKCSIGB-VWLOTQADSA-N 1 2 484.048 3.950 20 0 JHADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001306205968 1068597485 /nfs/dbraw/zinc/59/74/85/1068597485.db2.gz UOEUIXIIGIOXDL-UHFFFAOYSA-N 1 2 494.591 3.844 20 0 JHADLO CC[C@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306283981 1068701277 /nfs/dbraw/zinc/70/12/77/1068701277.db2.gz NZLZTDBXYHAELB-GCJKJVERSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306283981 1068701284 /nfs/dbraw/zinc/70/12/84/1068701284.db2.gz NZLZTDBXYHAELB-GCJKJVERSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306341795 1068778632 /nfs/dbraw/zinc/77/86/32/1068778632.db2.gz SNBAEXSCSLNFKX-FCHUYYIVSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306359852 1068794936 /nfs/dbraw/zinc/79/49/36/1068794936.db2.gz YIKOPXYRDHKLOA-KRWDZBQOSA-N 1 2 468.005 3.607 20 0 JHADLO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CCO1 ZINC001306435961 1068939648 /nfs/dbraw/zinc/93/96/48/1068939648.db2.gz XFDRISFQJCJNHK-PKTZIBPZSA-N 1 2 455.647 3.864 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c[nH+]ccc2OC)C[C@H](C)O1 ZINC001306450424 1068969514 /nfs/dbraw/zinc/96/95/14/1068969514.db2.gz FWLRNNRVQBMART-PZJWPPBQSA-N 1 2 451.571 3.930 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306468498 1069009842 /nfs/dbraw/zinc/00/98/42/1069009842.db2.gz WIPRQSMCYZLSQM-PLNGDYQASA-N 1 2 452.372 3.581 20 0 JHADLO CC/C=C/Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306477915 1069018180 /nfs/dbraw/zinc/01/81/80/1069018180.db2.gz JMQMHBKGRIKXPW-SHBDEGQCSA-N 1 2 497.644 3.576 20 0 JHADLO CC/C=C\Cn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306491643 1069030570 /nfs/dbraw/zinc/03/05/70/1069030570.db2.gz OWBVYZMRGBOBTN-UOUGDEPUSA-N 1 2 457.594 3.746 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001310646391 1069080650 /nfs/dbraw/zinc/08/06/50/1069080650.db2.gz ZICZPFCQRICBEL-HXUWFJFHSA-N 1 2 457.416 3.876 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001310646391 1069080654 /nfs/dbraw/zinc/08/06/54/1069080654.db2.gz ZICZPFCQRICBEL-HXUWFJFHSA-N 1 2 457.416 3.876 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)C2)c1 ZINC001310672276 1069100819 /nfs/dbraw/zinc/10/08/19/1069100819.db2.gz JJCPSMLWAGPAIP-IBGZPJMESA-N 1 2 455.509 3.696 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)C2)c1 ZINC001310672276 1069100822 /nfs/dbraw/zinc/10/08/22/1069100822.db2.gz JJCPSMLWAGPAIP-IBGZPJMESA-N 1 2 455.509 3.696 20 0 JHADLO COc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(S(C)(=O)=O)c1 ZINC001310750146 1069149315 /nfs/dbraw/zinc/14/93/15/1069149315.db2.gz AMZBKIWQEXSLQZ-KRWDZBQOSA-N 1 2 459.490 3.542 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306571689 1069239082 /nfs/dbraw/zinc/23/90/82/1069239082.db2.gz LSCYYJJERKIIKR-WOJBJXKFSA-N 1 2 481.645 3.581 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306578465 1069244000 /nfs/dbraw/zinc/24/40/00/1069244000.db2.gz UDDDXHIIZDQKFP-ICSRJNTNSA-N 1 2 487.649 3.721 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306580352 1069244946 /nfs/dbraw/zinc/24/49/46/1069244946.db2.gz KPVJYJNEZJSCKE-URXFXBBRSA-N 1 2 465.646 3.838 20 0 JHADLO CC(=O)c1ccc(Br)c(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001311138659 1069281787 /nfs/dbraw/zinc/28/17/87/1069281787.db2.gz BJAKDKGEPLZDGU-UHFFFAOYSA-N 1 2 459.388 3.938 20 0 JHADLO Nc1cc(Cl)ncc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420568 718890574 /nfs/dbraw/zinc/89/05/74/718890574.db2.gz VBHJEJVOTILVDR-ZDUSSCGKSA-N 1 2 458.694 3.850 20 0 JHADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164669796 719517575 /nfs/dbraw/zinc/51/75/75/719517575.db2.gz ABLPDUVUVSADNL-UHFFFAOYSA-N 1 2 470.589 3.569 20 0 JHADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164669796 719517586 /nfs/dbraw/zinc/51/75/86/719517586.db2.gz ABLPDUVUVSADNL-UHFFFAOYSA-N 1 2 470.589 3.569 20 0 JHADLO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1OC ZINC001164673410 719519502 /nfs/dbraw/zinc/51/95/02/719519502.db2.gz SKIPNVJTLKCVDQ-UHFFFAOYSA-N 1 2 463.937 3.541 20 0 JHADLO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1OC ZINC001164673410 719519514 /nfs/dbraw/zinc/51/95/14/719519514.db2.gz SKIPNVJTLKCVDQ-UHFFFAOYSA-N 1 2 463.937 3.541 20 0 JHADLO CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)CC1 ZINC001164673328 719522246 /nfs/dbraw/zinc/52/22/46/719522246.db2.gz OMCQZTYGJPOMKA-UHFFFAOYSA-N 1 2 466.601 3.964 20 0 JHADLO CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)CC1 ZINC001164673328 719522251 /nfs/dbraw/zinc/52/22/51/719522251.db2.gz OMCQZTYGJPOMKA-UHFFFAOYSA-N 1 2 466.601 3.964 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164706714 719850722 /nfs/dbraw/zinc/85/07/22/719850722.db2.gz YOBDMDMPVKWCGI-DYESRHJHSA-N 1 2 453.917 3.666 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704911 719878127 /nfs/dbraw/zinc/87/81/27/719878127.db2.gz XFUDTESZBKTGAH-HOYKHHGWSA-N 1 2 474.989 3.717 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001164705366 719878142 /nfs/dbraw/zinc/87/81/42/719878142.db2.gz YIEJHDWHUIIOPJ-OPAMFIHVSA-N 1 2 481.380 3.808 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164700328 719880432 /nfs/dbraw/zinc/88/04/32/719880432.db2.gz JWMFRMNTCIWGPB-OPAMFIHVSA-N 1 2 471.976 3.782 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C2)C1 ZINC001164726499 720310350 /nfs/dbraw/zinc/31/03/50/720310350.db2.gz ZXRRDCCPEXQDKH-DEOSSOPVSA-N 1 2 492.998 3.920 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C2)C1 ZINC001164726499 720310357 /nfs/dbraw/zinc/31/03/57/720310357.db2.gz ZXRRDCCPEXQDKH-DEOSSOPVSA-N 1 2 492.998 3.920 20 0 JHADLO CSc1cc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824006 720366391 /nfs/dbraw/zinc/36/63/91/720366391.db2.gz GTTBQXZZMFKWLM-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO CSc1cc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824006 720366398 /nfs/dbraw/zinc/36/63/98/720366398.db2.gz GTTBQXZZMFKWLM-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5sc6c(c54)CCC6)CC3)C2=O)cs1 ZINC001164819478 720379031 /nfs/dbraw/zinc/37/90/31/720379031.db2.gz FERAFJGVVYCGII-UHFFFAOYSA-N 1 2 482.679 3.567 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5sc6c(c54)CCC6)CC3)C2=O)cs1 ZINC001164819478 720379039 /nfs/dbraw/zinc/37/90/39/720379039.db2.gz FERAFJGVVYCGII-UHFFFAOYSA-N 1 2 482.679 3.567 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccc(C(C)C)cc54)CC3)C2=O)cs1 ZINC001164819319 720379291 /nfs/dbraw/zinc/37/92/91/720379291.db2.gz CGOFHPKXDXWNTH-UHFFFAOYSA-N 1 2 464.639 3.831 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccc(C(C)C)cc54)CC3)C2=O)cs1 ZINC001164819319 720379299 /nfs/dbraw/zinc/37/92/99/720379299.db2.gz CGOFHPKXDXWNTH-UHFFFAOYSA-N 1 2 464.639 3.831 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5nc(Cl)cnc5cc4F)CC3)C2=O)cs1 ZINC001164823731 720380890 /nfs/dbraw/zinc/38/08/90/720380890.db2.gz PYMRRNKAIQMXAQ-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5nc(Cl)cnc5cc4F)CC3)C2=O)cs1 ZINC001164823731 720380894 /nfs/dbraw/zinc/38/08/94/720380894.db2.gz PYMRRNKAIQMXAQ-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164822934 720384852 /nfs/dbraw/zinc/38/48/52/720384852.db2.gz NFKRGVHSHGSTPK-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164822934 720384857 /nfs/dbraw/zinc/38/48/57/720384857.db2.gz NFKRGVHSHGSTPK-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164830633 720459040 /nfs/dbraw/zinc/45/90/40/720459040.db2.gz KMAJREBDPRIQPK-GOSISDBHSA-N 1 2 491.970 3.619 20 0 JHADLO Cc1cccc(CN2CC[C@@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2=O)c1 ZINC001164855191 720806915 /nfs/dbraw/zinc/80/69/15/720806915.db2.gz WXZXANHUFHHVNA-LJAQVGFWSA-N 1 2 467.617 3.972 20 0 JHADLO Cc1cccc(CN2CC[C@@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2=O)c1 ZINC001164855191 720806917 /nfs/dbraw/zinc/80/69/17/720806917.db2.gz WXZXANHUFHHVNA-LJAQVGFWSA-N 1 2 467.617 3.972 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164858668 720896487 /nfs/dbraw/zinc/89/64/87/720896487.db2.gz NCCNXRSGXXQBNV-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)c(Cl)nn2)c1 ZINC001164861991 720896743 /nfs/dbraw/zinc/89/67/43/720896743.db2.gz ZZONIDDFYZYJRB-UHFFFAOYSA-N 1 2 497.937 3.862 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3c(Cl)nccc3c1)C2 ZINC001164858725 720896851 /nfs/dbraw/zinc/89/68/51/720896851.db2.gz NYKCTTKWIZXARK-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757059 720983324 /nfs/dbraw/zinc/98/33/24/720983324.db2.gz MGEGWOCDUYNGBG-HNNXBMFYSA-N 1 2 455.893 3.631 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@H]54)c3C2)cc1 ZINC001164871968 721246542 /nfs/dbraw/zinc/24/65/42/721246542.db2.gz CKQGTDXZOVYTAX-DFCKQENNSA-N 1 2 457.578 3.635 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@H]54)c3C2)cc1 ZINC001164871968 721246553 /nfs/dbraw/zinc/24/65/53/721246553.db2.gz CKQGTDXZOVYTAX-DFCKQENNSA-N 1 2 457.578 3.635 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[C@]4(CCN(CC)C4=O)C3)c2c1C ZINC001164776119 721320630 /nfs/dbraw/zinc/32/06/30/721320630.db2.gz CEHRFFLEGDDHIW-QLXKLKPCSA-N 1 2 499.681 3.857 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908596 721560054 /nfs/dbraw/zinc/56/00/54/721560054.db2.gz QUNWKXPUJFTWKW-IRLDBZIGSA-N 1 2 486.544 3.503 20 0 JHADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908596 721560057 /nfs/dbraw/zinc/56/00/57/721560057.db2.gz QUNWKXPUJFTWKW-IRLDBZIGSA-N 1 2 486.544 3.503 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001165009385 721697943 /nfs/dbraw/zinc/69/79/43/721697943.db2.gz PMWRGJHXVYUWOO-UHFFFAOYSA-N 1 2 468.005 3.507 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001165009385 721697945 /nfs/dbraw/zinc/69/79/45/721697945.db2.gz PMWRGJHXVYUWOO-UHFFFAOYSA-N 1 2 468.005 3.507 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001165011330 721702383 /nfs/dbraw/zinc/70/23/83/721702383.db2.gz RGTGTHBHIKQEND-UHFFFAOYSA-N 1 2 453.900 3.809 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001165011330 721702387 /nfs/dbraw/zinc/70/23/87/721702387.db2.gz RGTGTHBHIKQEND-UHFFFAOYSA-N 1 2 453.900 3.809 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001165011856 721718725 /nfs/dbraw/zinc/71/87/25/721718725.db2.gz WQDDSYJAHRKPNE-UHFFFAOYSA-N 1 2 489.653 3.869 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001165011856 721718733 /nfs/dbraw/zinc/71/87/33/721718733.db2.gz WQDDSYJAHRKPNE-UHFFFAOYSA-N 1 2 489.653 3.869 20 0 JHADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914508 721800622 /nfs/dbraw/zinc/80/06/22/721800622.db2.gz OKZBLJAIQBBRJC-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914508 721800623 /nfs/dbraw/zinc/80/06/23/721800623.db2.gz OKZBLJAIQBBRJC-VWLOTQADSA-N 1 2 481.984 3.734 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914942 721800935 /nfs/dbraw/zinc/80/09/35/721800935.db2.gz ROIYVMINEJIGDT-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914942 721800936 /nfs/dbraw/zinc/80/09/36/721800936.db2.gz ROIYVMINEJIGDT-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c12 ZINC001164936250 721907969 /nfs/dbraw/zinc/90/79/69/721907969.db2.gz OQYZRWCIVDUQEY-UHFFFAOYSA-N 1 2 485.636 3.701 20 0 JHADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)cc1 ZINC001164950659 721979790 /nfs/dbraw/zinc/97/97/90/721979790.db2.gz WMLBXBZJQNEYME-UHFFFAOYSA-N 1 2 457.578 3.513 20 0 JHADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)cc1 ZINC001164950659 721979794 /nfs/dbraw/zinc/97/97/94/721979794.db2.gz WMLBXBZJQNEYME-UHFFFAOYSA-N 1 2 457.578 3.513 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008579 722273679 /nfs/dbraw/zinc/27/36/79/722273679.db2.gz LEBZDAQOIAWORV-LVWCUCSXSA-N 1 2 498.631 3.833 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008579 722273682 /nfs/dbraw/zinc/27/36/82/722273682.db2.gz LEBZDAQOIAWORV-LVWCUCSXSA-N 1 2 498.631 3.833 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccccc3CC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001306631273 1069331568 /nfs/dbraw/zinc/33/15/68/1069331568.db2.gz FKDAIJPGILBSGS-OAQYLSRUSA-N 1 2 451.571 3.877 20 0 JHADLO CCCCCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306646188 1069357272 /nfs/dbraw/zinc/35/72/72/1069357272.db2.gz PKMGAGKKJZLOFZ-OAQYLSRUSA-N 1 2 458.626 3.506 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491042 1069402977 /nfs/dbraw/zinc/40/29/77/1069402977.db2.gz OFHSKWVHMKAKFM-VXKWHMMOSA-N 1 2 456.562 3.765 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491042 1069402981 /nfs/dbraw/zinc/40/29/81/1069402981.db2.gz OFHSKWVHMKAKFM-VXKWHMMOSA-N 1 2 456.562 3.765 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1)Nc1ccccc1 ZINC001311518216 1069420027 /nfs/dbraw/zinc/42/00/27/1069420027.db2.gz UVOIXJPGXAOJPW-NRFANRHFSA-N 1 2 456.974 3.956 20 0 JHADLO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC001311544645 1069432436 /nfs/dbraw/zinc/43/24/36/1069432436.db2.gz FGIAXWOTDJUODD-NRFANRHFSA-N 1 2 452.382 3.749 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC001311682024 1069501922 /nfs/dbraw/zinc/50/19/22/1069501922.db2.gz GLNDDJVRFPKAME-HRAATJIYSA-N 1 2 453.493 3.702 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC(C)(C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC001311730068 1069525062 /nfs/dbraw/zinc/52/50/62/1069525062.db2.gz ILRGUFTUPVUDCF-UHFFFAOYSA-N 1 2 452.599 3.770 20 0 JHADLO CCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001314157685 1069632677 /nfs/dbraw/zinc/63/26/77/1069632677.db2.gz DKRRTQALZOPZLV-QFIPXVFZSA-N 1 2 496.700 3.755 20 0 JHADLO COC(=O)c1ncnc(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1OC ZINC001306954873 1069689074 /nfs/dbraw/zinc/68/90/74/1069689074.db2.gz YZCUUPIXUDZUHL-OAQYLSRUSA-N 1 2 452.942 3.837 20 0 JHADLO O=C(NC[C@H](Cc1ccccc1)c1ccccn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312048646 1069692602 /nfs/dbraw/zinc/69/26/02/1069692602.db2.gz QVLVNEXLFPKPTI-IZZNHLLZSA-N 1 2 458.606 3.651 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176430 1069706292 /nfs/dbraw/zinc/70/62/92/1069706292.db2.gz SHMUUESPUCHKSF-WZONZLPQSA-N 1 2 480.613 3.723 20 0 JHADLO C[NH+](C)[C@H](CNC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC001312074004 1069707059 /nfs/dbraw/zinc/70/70/59/1069707059.db2.gz NNTPWPVXXSIGNE-QGZVFWFLSA-N 1 2 450.440 3.732 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCC[C@H](OCC)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314177152 1069710579 /nfs/dbraw/zinc/71/05/79/1069710579.db2.gz SJENESZNHCSWAB-FQEVSTJZSA-N 1 2 467.570 3.810 20 0 JHADLO CCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001307014517 1069720683 /nfs/dbraw/zinc/72/06/83/1069720683.db2.gz KRABZTRBMXDGFY-GOSISDBHSA-N 1 2 451.575 3.652 20 0 JHADLO CCCn1c(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001307029092 1069736267 /nfs/dbraw/zinc/73/62/67/1069736267.db2.gz KHQZGVXCNNPEIX-VWLOTQADSA-N 1 2 456.635 3.867 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314191916 1069754155 /nfs/dbraw/zinc/75/41/55/1069754155.db2.gz QRVSDFHRSYKMSM-ACRUOGEOSA-N 1 2 487.645 3.541 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314191916 1069754168 /nfs/dbraw/zinc/75/41/68/1069754168.db2.gz QRVSDFHRSYKMSM-ACRUOGEOSA-N 1 2 487.645 3.541 20 0 JHADLO CCc1ccc(C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001312163395 1069758911 /nfs/dbraw/zinc/75/89/11/1069758911.db2.gz PPSUJRRYTQMIHG-JOCHJYFZSA-N 1 2 458.647 3.863 20 0 JHADLO COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001312203871 1069778834 /nfs/dbraw/zinc/77/88/34/1069778834.db2.gz CYRSJHZOSYBVNY-YVMONPNESA-N 1 2 456.974 3.718 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC001312230325 1069795526 /nfs/dbraw/zinc/79/55/26/1069795526.db2.gz YIQZMDRRXHDDTQ-IBGZPJMESA-N 1 2 452.546 3.726 20 0 JHADLO Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(OC[C@H]2CCCO2)c1 ZINC001312254267 1069812674 /nfs/dbraw/zinc/81/26/74/1069812674.db2.gz LJRKACUOFQXJIJ-OAQYLSRUSA-N 1 2 456.612 3.500 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314216849 1069851306 /nfs/dbraw/zinc/85/13/06/1069851306.db2.gz MREDUWOQNJIZTC-HKBOAZHASA-N 1 2 457.619 3.601 20 0 JHADLO CCCN1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1=O ZINC001307061764 1069854931 /nfs/dbraw/zinc/85/49/31/1069854931.db2.gz LLTCHVNPQCPYCK-SFHVURJKSA-N 1 2 453.566 3.613 20 0 JHADLO COc1ccc(OC)c2c1CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C[C@H]2O ZINC001312351981 1069880688 /nfs/dbraw/zinc/88/06/88/1069880688.db2.gz QWHHCBPPVNPENT-NHCUHLMSSA-N 1 2 450.539 3.517 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314226118 1069894304 /nfs/dbraw/zinc/89/43/04/1069894304.db2.gz QCFIZRXJLROOSZ-CEXWTWQISA-N 1 2 497.562 3.611 20 0 JHADLO COc1ccc([C@H](CO)CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)cc1 ZINC001307138246 1069899393 /nfs/dbraw/zinc/89/93/93/1069899393.db2.gz YMLDVFMXBSKZDV-HNNXBMFYSA-N 1 2 454.328 3.775 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426619 1069929272 /nfs/dbraw/zinc/92/92/72/1069929272.db2.gz QFNQPPGRLWBYRM-QHAWAJNXSA-N 1 2 452.382 3.788 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426619 1069929277 /nfs/dbraw/zinc/92/92/77/1069929277.db2.gz QFNQPPGRLWBYRM-QHAWAJNXSA-N 1 2 452.382 3.788 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCS[C@@H](C(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314239061 1069938913 /nfs/dbraw/zinc/93/89/13/1069938913.db2.gz CQYJHZGEZMYZII-JQNAXBERSA-N 1 2 465.708 3.639 20 0 JHADLO CCOC1CC(Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)([NH+]2CCOCC2)C1 ZINC001314240691 1069942474 /nfs/dbraw/zinc/94/24/74/1069942474.db2.gz SZIIOQVUSJCYBF-VUIBPRDZSA-N 1 2 471.646 3.877 20 0 JHADLO O=C(CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307453496 1069993701 /nfs/dbraw/zinc/99/37/01/1069993701.db2.gz YVNZNOFBQDINFC-FQEVSTJZSA-N 1 2 454.423 3.773 20 0 JHADLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001307454340 1069994477 /nfs/dbraw/zinc/99/44/77/1069994477.db2.gz RBMRKDRJXIFRFD-KRWDZBQOSA-N 1 2 459.612 3.641 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H](OCC)[C@H]3Oc3ccccc3)CC2)cc1 ZINC001312535538 1069997914 /nfs/dbraw/zinc/99/79/14/1069997914.db2.gz CRWLVPBJENUUNT-DSITVLBTSA-N 1 2 453.583 3.538 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCN(Cc3ccc(Cl)nc3)CC2)[C@H](O)c2ccccc21 ZINC001307474962 1070006405 /nfs/dbraw/zinc/00/64/05/1070006405.db2.gz KDGAPZVXEFAWFC-IFMALSPDSA-N 1 2 458.990 3.710 20 0 JHADLO COc1ccc(-c2nc(NC(=O)CN3CC[NH+]([C@H](C)c4cccnc4)CC3)sc2C)cc1 ZINC001307482417 1070009282 /nfs/dbraw/zinc/00/92/82/1070009282.db2.gz FSESNRIUIIETBF-QGZVFWFLSA-N 1 2 451.596 3.839 20 0 JHADLO COc1ccccc1C[NH+]1CCN(C(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC001312566141 1070017656 /nfs/dbraw/zinc/01/76/56/1070017656.db2.gz BFFOAZUJZIFBAW-UHFFFAOYSA-N 1 2 451.489 3.706 20 0 JHADLO Cc1ccc(NC(=O)Cc2nc(CN(CC[NH+]3CCOCC3)c3ccccc3)cs2)cc1 ZINC001307512973 1070027144 /nfs/dbraw/zinc/02/71/44/1070027144.db2.gz HSGNUKFIQZWAKW-UHFFFAOYSA-N 1 2 450.608 3.972 20 0 JHADLO CC[C@@H]1C[N@H+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC001307512012 1070026266 /nfs/dbraw/zinc/02/62/66/1070026266.db2.gz ZJCKFOGABJWFOX-OYRHQHFDSA-N 1 2 457.640 3.736 20 0 JHADLO CC[C@@H]1C[N@@H+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC001307512012 1070026279 /nfs/dbraw/zinc/02/62/79/1070026279.db2.gz ZJCKFOGABJWFOX-OYRHQHFDSA-N 1 2 457.640 3.736 20 0 JHADLO C[C@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC001312585946 1070030740 /nfs/dbraw/zinc/03/07/40/1070030740.db2.gz LFYDXAZIRUAYHH-LRDDRELGSA-N 1 2 458.731 3.934 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314276182 1070034606 /nfs/dbraw/zinc/03/46/06/1070034606.db2.gz UFDATCDRJOFCKX-WIYYLYMNSA-N 1 2 456.541 3.927 20 0 JHADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1 ZINC001307543990 1070044400 /nfs/dbraw/zinc/04/44/00/1070044400.db2.gz SXESJINOJBYODR-UHFFFAOYSA-N 1 2 458.609 3.740 20 0 JHADLO COc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[NH+](Cc4cccc(O)c4)CC3)n2)cc1 ZINC001307547457 1070047466 /nfs/dbraw/zinc/04/74/66/1070047466.db2.gz XMUJEYXJTWXSJZ-KRWDZBQOSA-N 1 2 452.580 3.669 20 0 JHADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC001307564505 1070054472 /nfs/dbraw/zinc/05/44/72/1070054472.db2.gz YVUNQUPIUPATME-GOSISDBHSA-N 1 2 451.589 3.542 20 0 JHADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC001307564505 1070054487 /nfs/dbraw/zinc/05/44/87/1070054487.db2.gz YVUNQUPIUPATME-GOSISDBHSA-N 1 2 451.589 3.542 20 0 JHADLO CCOCc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001314295337 1070079283 /nfs/dbraw/zinc/07/92/83/1070079283.db2.gz KJVMBWKWOZTTAA-IBGZPJMESA-N 1 2 452.603 3.995 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314313903 1070100002 /nfs/dbraw/zinc/10/00/02/1070100002.db2.gz ZCYOWFXFLAVWRS-DHLKQENFSA-N 1 2 464.614 3.928 20 0 JHADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307665081 1070111200 /nfs/dbraw/zinc/11/12/00/1070111200.db2.gz PSOSZXQROVUAEK-OXQOHEQNSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307665081 1070111208 /nfs/dbraw/zinc/11/12/08/1070111208.db2.gz PSOSZXQROVUAEK-OXQOHEQNSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307665082 1070111232 /nfs/dbraw/zinc/11/12/32/1070111232.db2.gz PSOSZXQROVUAEK-UZLBHIALSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307665082 1070111240 /nfs/dbraw/zinc/11/12/40/1070111240.db2.gz PSOSZXQROVUAEK-UZLBHIALSA-N 1 2 454.951 3.673 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001307679273 1070121284 /nfs/dbraw/zinc/12/12/84/1070121284.db2.gz LPXXHQIIJOONMC-NRFANRHFSA-N 1 2 459.484 3.936 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001307679273 1070121286 /nfs/dbraw/zinc/12/12/86/1070121286.db2.gz LPXXHQIIJOONMC-NRFANRHFSA-N 1 2 459.484 3.936 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC001312792462 1070122565 /nfs/dbraw/zinc/12/25/65/1070122565.db2.gz ATLHSYYFLHEQPW-NRFANRHFSA-N 1 2 450.583 3.671 20 0 JHADLO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1F ZINC001312803594 1070131572 /nfs/dbraw/zinc/13/15/72/1070131572.db2.gz ZDFSLWUUBYBBSJ-CYBMUJFWSA-N 1 2 458.372 3.755 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)C1 ZINC001307715543 1070141735 /nfs/dbraw/zinc/14/17/35/1070141735.db2.gz KRFJHGLZPFGLPS-HSZRJFAPSA-N 1 2 457.554 3.560 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)C1 ZINC001307715543 1070141737 /nfs/dbraw/zinc/14/17/37/1070141737.db2.gz KRFJHGLZPFGLPS-HSZRJFAPSA-N 1 2 457.554 3.560 20 0 JHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001312820897 1070142185 /nfs/dbraw/zinc/14/21/85/1070142185.db2.gz OGPXBJXZPWFZMU-UHFFFAOYSA-N 1 2 451.958 3.643 20 0 JHADLO O=C(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC001307722900 1070146796 /nfs/dbraw/zinc/14/67/96/1070146796.db2.gz AGVZDHCVNZBLTE-UHFFFAOYSA-N 1 2 450.505 3.656 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001307731903 1070154897 /nfs/dbraw/zinc/15/48/97/1070154897.db2.gz MUNRKTHCYUOENU-SZPZYZBQSA-N 1 2 459.594 3.774 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001307731903 1070154911 /nfs/dbraw/zinc/15/49/11/1070154911.db2.gz MUNRKTHCYUOENU-SZPZYZBQSA-N 1 2 459.594 3.774 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001307732899 1070156031 /nfs/dbraw/zinc/15/60/31/1070156031.db2.gz SLWZECRRZSJTIT-KSZLIROESA-N 1 2 450.601 3.780 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001307732899 1070156043 /nfs/dbraw/zinc/15/60/43/1070156043.db2.gz SLWZECRRZSJTIT-KSZLIROESA-N 1 2 450.601 3.780 20 0 JHADLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733159 1070157036 /nfs/dbraw/zinc/15/70/36/1070157036.db2.gz HKAACJKTWVTDNI-UNMCSNQZSA-N 1 2 458.624 3.739 20 0 JHADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733159 1070157046 /nfs/dbraw/zinc/15/70/46/1070157046.db2.gz HKAACJKTWVTDNI-UNMCSNQZSA-N 1 2 458.624 3.739 20 0 JHADLO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001307748563 1070163935 /nfs/dbraw/zinc/16/39/35/1070163935.db2.gz RXXSKDFZVXWBOR-IHFIDZABSA-N 1 2 455.624 3.739 20 0 JHADLO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001307748563 1070163944 /nfs/dbraw/zinc/16/39/44/1070163944.db2.gz RXXSKDFZVXWBOR-IHFIDZABSA-N 1 2 455.624 3.739 20 0 JHADLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1cc2ccccc2o1 ZINC001307765214 1070174510 /nfs/dbraw/zinc/17/45/10/1070174510.db2.gz CZYUACHBNYWZCA-XHHGLIPKSA-N 1 2 481.515 3.547 20 0 JHADLO CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314363666 1070189559 /nfs/dbraw/zinc/18/95/59/1070189559.db2.gz ZTUVDDXQCCCLJZ-WMZHIEFXSA-N 1 2 451.562 3.791 20 0 JHADLO COc1ccccc1N1CC[C@H]([N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1=O ZINC001307813109 1070195121 /nfs/dbraw/zinc/19/51/21/1070195121.db2.gz KDPWHOKDCFHICA-AZUAARDMSA-N 1 2 456.892 3.922 20 0 JHADLO COc1ccccc1N1CC[C@H]([N@@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1=O ZINC001307813109 1070195124 /nfs/dbraw/zinc/19/51/24/1070195124.db2.gz KDPWHOKDCFHICA-AZUAARDMSA-N 1 2 456.892 3.922 20 0 JHADLO COc1ccccc1N1CC[C@@H]([N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1=O ZINC001307813116 1070196010 /nfs/dbraw/zinc/19/60/10/1070196010.db2.gz KDPWHOKDCFHICA-UYAOXDASSA-N 1 2 456.892 3.922 20 0 JHADLO COc1ccccc1N1CC[C@@H]([N@@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1=O ZINC001307813116 1070196014 /nfs/dbraw/zinc/19/60/14/1070196014.db2.gz KDPWHOKDCFHICA-UYAOXDASSA-N 1 2 456.892 3.922 20 0 JHADLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001307823079 1070201198 /nfs/dbraw/zinc/20/11/98/1070201198.db2.gz ZLUOUMLOUTWXFP-UHFFFAOYSA-N 1 2 456.316 3.618 20 0 JHADLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001307823079 1070201207 /nfs/dbraw/zinc/20/12/07/1070201207.db2.gz ZLUOUMLOUTWXFP-UHFFFAOYSA-N 1 2 456.316 3.618 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314367790 1070202273 /nfs/dbraw/zinc/20/22/73/1070202273.db2.gz YBWSCOKOOOBPRY-DHIUTWEWSA-N 1 2 471.646 3.672 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001313068628 1070239660 /nfs/dbraw/zinc/23/96/60/1070239660.db2.gz XSQVDUZSWQIMCJ-PWRODBHTSA-N 1 2 453.587 3.887 20 0 JHADLO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(I)cc1Cl)C2 ZINC001307918563 1070240325 /nfs/dbraw/zinc/24/03/25/1070240325.db2.gz ZDBLEYSLOLWPDU-UGSOOPFHSA-N 1 2 463.743 3.735 20 0 JHADLO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(I)cc1Cl)C2 ZINC001307918563 1070240333 /nfs/dbraw/zinc/24/03/33/1070240333.db2.gz ZDBLEYSLOLWPDU-UGSOOPFHSA-N 1 2 463.743 3.735 20 0 JHADLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001307920911 1070243356 /nfs/dbraw/zinc/24/33/56/1070243356.db2.gz OXCBRYROHDJTDN-VDGAXYAQSA-N 1 2 471.539 3.947 20 0 JHADLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001307920911 1070243368 /nfs/dbraw/zinc/24/33/68/1070243368.db2.gz OXCBRYROHDJTDN-VDGAXYAQSA-N 1 2 471.539 3.947 20 0 JHADLO O=C(N1CCC[C@@H](C2CC[NH+](Cc3ncc(Br)cc3F)CC2)C1)C(F)(F)F ZINC001307940830 1070251481 /nfs/dbraw/zinc/25/14/81/1070251481.db2.gz JXSDXCRZJPWYMC-CYBMUJFWSA-N 1 2 452.290 3.996 20 0 JHADLO CSc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001307945682 1070253863 /nfs/dbraw/zinc/25/38/63/1070253863.db2.gz DDIZARRGVFWFOT-IOMROCGXSA-N 1 2 468.541 3.685 20 0 JHADLO CSc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001307945682 1070253879 /nfs/dbraw/zinc/25/38/79/1070253879.db2.gz DDIZARRGVFWFOT-IOMROCGXSA-N 1 2 468.541 3.685 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001314395305 1070253233 /nfs/dbraw/zinc/25/32/33/1070253233.db2.gz BTDUTLLTBRBSHJ-JOCHJYFZSA-N 1 2 469.659 3.737 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001314397505 1070257413 /nfs/dbraw/zinc/25/74/13/1070257413.db2.gz TXQMAQBYTWTMDZ-UHFFFAOYSA-N 1 2 492.596 3.860 20 0 JHADLO C[N@@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313168116 1070277056 /nfs/dbraw/zinc/27/70/56/1070277056.db2.gz MWFBPODDZTYIQS-LJQANCHMSA-N 1 2 451.011 3.612 20 0 JHADLO C[N@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313168116 1070277068 /nfs/dbraw/zinc/27/70/68/1070277068.db2.gz MWFBPODDZTYIQS-LJQANCHMSA-N 1 2 451.011 3.612 20 0 JHADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001308009635 1070278188 /nfs/dbraw/zinc/27/81/88/1070278188.db2.gz BRKXJOILIPVBFN-SUMWQHHRSA-N 1 2 451.420 3.671 20 0 JHADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001308009635 1070278203 /nfs/dbraw/zinc/27/82/03/1070278203.db2.gz BRKXJOILIPVBFN-SUMWQHHRSA-N 1 2 451.420 3.671 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169995 1070278932 /nfs/dbraw/zinc/27/89/32/1070278932.db2.gz PQOPSSZSORWSHE-GOTSBHOMSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169995 1070278943 /nfs/dbraw/zinc/27/89/43/1070278943.db2.gz PQOPSSZSORWSHE-GOTSBHOMSA-N 1 2 459.631 3.882 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@H]1c1ccco1 ZINC001308017946 1070282431 /nfs/dbraw/zinc/28/24/31/1070282431.db2.gz ZZOHHMKFSYYVNQ-URXFXBBRSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@H]1c1ccco1 ZINC001308017946 1070282445 /nfs/dbraw/zinc/28/24/45/1070282445.db2.gz ZZOHHMKFSYYVNQ-URXFXBBRSA-N 1 2 459.493 3.826 20 0 JHADLO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)COCc2ccccc2)cc1 ZINC001308040138 1070289396 /nfs/dbraw/zinc/28/93/96/1070289396.db2.gz STXGLIYMCGWHLQ-LADGPHEKSA-N 1 2 456.583 3.867 20 0 JHADLO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)COCc2ccccc2)cc1 ZINC001308040138 1070289409 /nfs/dbraw/zinc/28/94/09/1070289409.db2.gz STXGLIYMCGWHLQ-LADGPHEKSA-N 1 2 456.583 3.867 20 0 JHADLO COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001313207021 1070292973 /nfs/dbraw/zinc/29/29/73/1070292973.db2.gz MWKDAUWXBIEUHF-JOCHJYFZSA-N 1 2 453.974 3.814 20 0 JHADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001313207746 1070293086 /nfs/dbraw/zinc/29/30/86/1070293086.db2.gz QXMSFYTYWCTDQT-PMACEKPBSA-N 1 2 457.456 3.526 20 0 JHADLO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C)c1 ZINC001308069731 1070302020 /nfs/dbraw/zinc/30/20/20/1070302020.db2.gz FNAKUPDEDVRIPQ-UHFFFAOYSA-N 1 2 450.461 3.909 20 0 JHADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC001308068312 1070301230 /nfs/dbraw/zinc/30/12/30/1070301230.db2.gz VFLGERXKZDHQOT-QZTJIDSGSA-N 1 2 455.393 3.875 20 0 JHADLO CCOC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c[nH+]ccc2OC)C1 ZINC001314424974 1070301710 /nfs/dbraw/zinc/30/17/10/1070301710.db2.gz IQHUWTPEIPTTMG-KRWDZBQOSA-N 1 2 457.525 3.852 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001308123774 1070321960 /nfs/dbraw/zinc/32/19/60/1070321960.db2.gz DQKWXJGMOBQGGX-WMZOPIPTSA-N 1 2 455.607 3.743 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001308123774 1070321978 /nfs/dbraw/zinc/32/19/78/1070321978.db2.gz DQKWXJGMOBQGGX-WMZOPIPTSA-N 1 2 455.607 3.743 20 0 JHADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC001308144273 1070328648 /nfs/dbraw/zinc/32/86/48/1070328648.db2.gz UMGSFKJLRORBDB-YVEFUNNKSA-N 1 2 458.727 3.903 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](Nc2ncccn2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001308141020 1070327110 /nfs/dbraw/zinc/32/71/10/1070327110.db2.gz ORWASCTVLDWVTH-GOSISDBHSA-N 1 2 450.930 3.507 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](Nc2ncccn2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001308141020 1070327129 /nfs/dbraw/zinc/32/71/29/1070327129.db2.gz ORWASCTVLDWVTH-GOSISDBHSA-N 1 2 450.930 3.507 20 0 JHADLO COC(=O)N1CCN(c2ccc(NCc3ccc(CNC(=O)OC(C)(C)C)cc3)c[nH+]2)CC1 ZINC001308415000 1070372572 /nfs/dbraw/zinc/37/25/72/1070372572.db2.gz SKBHRKFVSJOLCU-UHFFFAOYSA-N 1 2 455.559 3.607 20 0 JHADLO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001314464991 1070375678 /nfs/dbraw/zinc/37/56/78/1070375678.db2.gz RWINOMUMJICFJF-HNNXBMFYSA-N 1 2 462.396 3.591 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593258 1070397235 /nfs/dbraw/zinc/39/72/35/1070397235.db2.gz ZUQJBIZUNVCPRT-MSOLQXFVSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593258 1070397253 /nfs/dbraw/zinc/39/72/53/1070397253.db2.gz ZUQJBIZUNVCPRT-MSOLQXFVSA-N 1 2 458.024 3.741 20 0 JHADLO COC(=O)c1ccc(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c(C(F)(F)F)c1 ZINC001308597721 1070397696 /nfs/dbraw/zinc/39/76/96/1070397696.db2.gz HYZLNMHYGLDALY-UHFFFAOYSA-N 1 2 452.473 3.827 20 0 JHADLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC001308604809 1070399989 /nfs/dbraw/zinc/39/99/89/1070399989.db2.gz BHVNZIDSTYFMCX-JOCHJYFZSA-N 1 2 451.659 3.748 20 0 JHADLO COc1ccc(C[C@@H](C)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1F ZINC001308620769 1070403256 /nfs/dbraw/zinc/40/32/56/1070403256.db2.gz YQFCSWTWWUBWIV-OAHLLOKOSA-N 1 2 458.958 3.812 20 0 JHADLO Cc1ccc(CC[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)cc1 ZINC001308659651 1070412522 /nfs/dbraw/zinc/41/25/22/1070412522.db2.gz BIEPOBWQFVRFFJ-UHFFFAOYSA-N 1 2 457.821 3.960 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@@H]1C ZINC001308696216 1070420248 /nfs/dbraw/zinc/42/02/48/1070420248.db2.gz NPHUWLDABXPOIY-IUODEOHRSA-N 1 2 455.784 3.738 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@@H]1C ZINC001308696216 1070420258 /nfs/dbraw/zinc/42/02/58/1070420258.db2.gz NPHUWLDABXPOIY-IUODEOHRSA-N 1 2 455.784 3.738 20 0 JHADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccccc3Oc3ccc(F)cc3Cl)CC2)CC1 ZINC001308698536 1070420920 /nfs/dbraw/zinc/42/09/20/1070420920.db2.gz XVBSTGKRUXGBNQ-UHFFFAOYSA-N 1 2 452.979 3.966 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308964995 1070467703 /nfs/dbraw/zinc/46/77/03/1070467703.db2.gz AODIECZBDHBNIE-YJBOKZPZSA-N 1 2 455.393 3.770 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001314511276 1070469982 /nfs/dbraw/zinc/46/99/82/1070469982.db2.gz OJMISRIZJFVELC-QHCPKHFHSA-N 1 2 491.677 3.856 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001314513512 1070479391 /nfs/dbraw/zinc/47/93/91/1070479391.db2.gz SIESDNRYQGXNTC-MJGOQNOKSA-N 1 2 491.061 3.940 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314513807 1070480641 /nfs/dbraw/zinc/48/06/41/1070480641.db2.gz FLBHIJMFXXMWLC-WMZOPIPTSA-N 1 2 453.678 3.560 20 0 JHADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309029219 1070495237 /nfs/dbraw/zinc/49/52/37/1070495237.db2.gz YLBFXYDYJMXKGW-LJQANCHMSA-N 1 2 457.379 3.895 20 0 JHADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309029217 1070495360 /nfs/dbraw/zinc/49/53/60/1070495360.db2.gz YLBFXYDYJMXKGW-IBGZPJMESA-N 1 2 457.379 3.895 20 0 JHADLO Cc1cccc(Oc2ccc(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC001309046855 1070505456 /nfs/dbraw/zinc/50/54/56/1070505456.db2.gz YDYICJBRYWHOOY-UHFFFAOYSA-N 1 2 451.592 3.888 20 0 JHADLO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001314539742 1070536217 /nfs/dbraw/zinc/53/62/17/1070536217.db2.gz IQJPHICCBCPGTR-UHFFFAOYSA-N 1 2 488.702 3.597 20 0 JHADLO Cc1coc(-c2ccc(C)c(S(=O)(=O)NCC3CC[NH+](Cc4nc(C)c(C)o4)CC3)c2)n1 ZINC001309153301 1070572251 /nfs/dbraw/zinc/57/22/51/1070572251.db2.gz FKKSLMMKKQIPND-UHFFFAOYSA-N 1 2 458.584 3.754 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001313526698 1070601311 /nfs/dbraw/zinc/60/13/11/1070601311.db2.gz LPLTZJUISBFHOX-IRLDBZIGSA-N 1 2 456.635 3.855 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001313527115 1070602899 /nfs/dbraw/zinc/60/28/99/1070602899.db2.gz KWBJNIPILGEEHZ-QFIPXVFZSA-N 1 2 466.634 3.754 20 0 JHADLO CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001313571329 1070685193 /nfs/dbraw/zinc/68/51/93/1070685193.db2.gz PROPULZABXSLPU-KRWDZBQOSA-N 1 2 456.978 3.635 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313633785 1070765078 /nfs/dbraw/zinc/76/50/78/1070765078.db2.gz KLJBBFUPLSCDGR-VWLOTQADSA-N 1 2 473.687 3.856 20 0 JHADLO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1c(F)cccc1F ZINC001314654697 1070769778 /nfs/dbraw/zinc/76/97/78/1070769778.db2.gz VVJFKWKFVRPGPE-DLBZAZTESA-N 1 2 489.489 3.604 20 0 JHADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313635430 1070770029 /nfs/dbraw/zinc/77/00/29/1070770029.db2.gz NHJOWTDAUVCAED-XUZZJYLKSA-N 1 2 455.647 3.600 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)c[nH+]1 ZINC001314659709 1070782178 /nfs/dbraw/zinc/78/21/78/1070782178.db2.gz BNAMQJQFYFUSSG-HXUWFJFHSA-N 1 2 455.006 3.894 20 0 JHADLO CCN(CC)C(=O)CCC1CCN(c2nnc(C(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001313639493 1070782911 /nfs/dbraw/zinc/78/29/11/1070782911.db2.gz JGOCJYGSGLNJHF-UHFFFAOYSA-N 1 2 497.688 3.546 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)(C)CC2)c[nH+]1 ZINC001314662126 1070788370 /nfs/dbraw/zinc/78/83/70/1070788370.db2.gz YZVMLKOSQCMELN-FQEVSTJZSA-N 1 2 499.660 3.722 20 0 JHADLO COc1cc(Cl)c(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1OC ZINC001309485905 1070800209 /nfs/dbraw/zinc/80/02/09/1070800209.db2.gz JYZMEUCWPFWBJU-KRWDZBQOSA-N 1 2 450.944 3.760 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001313648366 1070815536 /nfs/dbraw/zinc/81/55/36/1070815536.db2.gz YTRGDBNVKHBJQF-IBGZPJMESA-N 1 2 490.599 3.583 20 0 JHADLO CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)nc2F)[NH+](C)C)cc1 ZINC001309560436 1070857825 /nfs/dbraw/zinc/85/78/25/1070857825.db2.gz YXZREFPMNQTLAO-MRXNPFEDSA-N 1 2 458.397 3.763 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 ZINC001314712638 1070898772 /nfs/dbraw/zinc/89/87/72/1070898772.db2.gz TUQGWVJPIJOGHN-SLFFLAALSA-N 1 2 461.676 3.698 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001313672139 1070902289 /nfs/dbraw/zinc/90/22/89/1070902289.db2.gz BSBPRGSQYGVZDN-GOSISDBHSA-N 1 2 495.603 3.548 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001313672562 1070903972 /nfs/dbraw/zinc/90/39/72/1070903972.db2.gz GMLKOKWKYRUAEN-UHFFFAOYSA-N 1 2 499.566 3.538 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001313673257 1070906549 /nfs/dbraw/zinc/90/65/49/1070906549.db2.gz KPRSTYVYLNTYRM-OALUTQOASA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)OC2CCCC2)c[nH+]1 ZINC001313674245 1070910528 /nfs/dbraw/zinc/91/05/28/1070910528.db2.gz QXNOHYZTICGMFT-UHFFFAOYSA-N 1 2 464.574 3.525 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCN(Cc4cscn4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313679712 1070936316 /nfs/dbraw/zinc/93/63/16/1070936316.db2.gz RCIZEGXJLCRSTP-UHFFFAOYSA-N 1 2 468.675 3.644 20 0 JHADLO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314737053 1070965029 /nfs/dbraw/zinc/96/50/29/1070965029.db2.gz JNEYRQCECLVMQS-DHUJRADRSA-N 1 2 496.681 3.520 20 0 JHADLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)[nH+]c1C ZINC001309855148 1070997262 /nfs/dbraw/zinc/99/72/62/1070997262.db2.gz VCESSALZWCVIKI-QHAWAJNXSA-N 1 2 460.600 3.588 20 0 JHADLO CCN(Cc1ccccc1Br)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001310011525 1071056322 /nfs/dbraw/zinc/05/63/22/1071056322.db2.gz XGWPRRXOFOSAEM-UHFFFAOYSA-N 1 2 459.388 3.891 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 ZINC001310025621 1071069211 /nfs/dbraw/zinc/06/92/11/1071069211.db2.gz XLJSDRNSVCOTTC-HSZRJFAPSA-N 1 2 451.571 3.661 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(CC(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313755265 1071095220 /nfs/dbraw/zinc/09/52/20/1071095220.db2.gz JQSRJADNQZCTMD-XMMPIXPASA-N 1 2 465.646 3.619 20 0 JHADLO CN(C[C@@H]1CCOC1)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314812799 1071110824 /nfs/dbraw/zinc/11/08/24/1071110824.db2.gz CVECIAGEXGJCPD-SFHVURJKSA-N 1 2 480.078 3.807 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)C ZINC001313778209 1071138705 /nfs/dbraw/zinc/13/87/05/1071138705.db2.gz GKMRSLTXVPGSFU-UHFFFAOYSA-N 1 2 469.678 3.777 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001310138381 1071147198 /nfs/dbraw/zinc/14/71/98/1071147198.db2.gz CCGWAMIJVDKAOA-KDURUIRLSA-N 1 2 458.603 3.985 20 0 JHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001310138381 1071147205 /nfs/dbraw/zinc/14/72/05/1071147205.db2.gz CCGWAMIJVDKAOA-KDURUIRLSA-N 1 2 458.603 3.985 20 0 JHADLO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313783944 1071153264 /nfs/dbraw/zinc/15/32/64/1071153264.db2.gz BJJDRDRLRFPMEW-HXUWFJFHSA-N 1 2 450.587 3.652 20 0 JHADLO CCN(C[C@H]1COc2ccccc2O1)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313783943 1071153277 /nfs/dbraw/zinc/15/32/77/1071153277.db2.gz BJJDRDRLRFPMEW-FQEVSTJZSA-N 1 2 450.587 3.652 20 0 JHADLO CN(CCC1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314840139 1071186890 /nfs/dbraw/zinc/18/68/90/1071186890.db2.gz GWVUSQZAJOJXJU-LEWJYISDSA-N 1 2 463.573 3.964 20 0 JHADLO CN(CCCOc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314857440 1071240916 /nfs/dbraw/zinc/24/09/16/1071240916.db2.gz SHPGRIBKRDDWEN-JOCHJYFZSA-N 1 2 475.609 3.675 20 0 JHADLO CN(CCCOc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001314857440 1071240928 /nfs/dbraw/zinc/24/09/28/1071240928.db2.gz SHPGRIBKRDDWEN-JOCHJYFZSA-N 1 2 475.609 3.675 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1cccs1 ZINC001314870603 1071281817 /nfs/dbraw/zinc/28/18/17/1071281817.db2.gz RWTSGOSUEHCCJF-UHFFFAOYSA-N 1 2 461.035 3.801 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1Cc1ccsc1Br ZINC001314873220 1071290132 /nfs/dbraw/zinc/29/01/32/1071290132.db2.gz CMTIZKFANPCWFP-UHFFFAOYSA-N 1 2 490.471 3.704 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371632 1071347133 /nfs/dbraw/zinc/34/71/33/1071347133.db2.gz IXXNROUPPBCBTR-OKXSDPAFSA-N 1 2 455.502 3.645 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371632 1071347145 /nfs/dbraw/zinc/34/71/45/1071347145.db2.gz IXXNROUPPBCBTR-OKXSDPAFSA-N 1 2 455.502 3.645 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)Nc1ccc(F)nc1 ZINC001310407376 1071371890 /nfs/dbraw/zinc/37/18/90/1071371890.db2.gz OLSMAJKAJJDLDW-INIZCTEOSA-N 1 2 454.287 3.611 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)Nc1ccc(F)nc1 ZINC001310407376 1071371904 /nfs/dbraw/zinc/37/19/04/1071371904.db2.gz OLSMAJKAJJDLDW-INIZCTEOSA-N 1 2 454.287 3.611 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001310416674 1071378280 /nfs/dbraw/zinc/37/82/80/1071378280.db2.gz AVKUIAPUPBGXMJ-MRXNPFEDSA-N 1 2 455.449 3.550 20 0 JHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001310419488 1071378981 /nfs/dbraw/zinc/37/89/81/1071378981.db2.gz SPBCSDDZNLKZQC-UHFFFAOYSA-N 1 2 453.370 3.950 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001313868783 1071405337 /nfs/dbraw/zinc/40/53/37/1071405337.db2.gz OADNEBHAWCXPFP-VXKWHMMOSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001313868783 1071405342 /nfs/dbraw/zinc/40/53/42/1071405342.db2.gz OADNEBHAWCXPFP-VXKWHMMOSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001313872906 1071422622 /nfs/dbraw/zinc/42/26/22/1071422622.db2.gz YFQPSQLZKGEIQZ-LEWJYISDSA-N 1 2 473.687 3.860 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001313872906 1071422632 /nfs/dbraw/zinc/42/26/32/1071422632.db2.gz YFQPSQLZKGEIQZ-LEWJYISDSA-N 1 2 473.687 3.860 20 0 JHADLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)C[C@H]1n1cc[nH+]c1 ZINC001310481458 1071423612 /nfs/dbraw/zinc/42/36/12/1071423612.db2.gz HEQLYNKPJUPQKL-HGHGUNKESA-N 1 2 454.575 3.775 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314954932 1071428628 /nfs/dbraw/zinc/42/86/28/1071428628.db2.gz YHFHBWKBXWMXPX-LJQANCHMSA-N 1 2 479.604 3.582 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313927852 1071581768 /nfs/dbraw/zinc/58/17/68/1071581768.db2.gz PCTKYYYAONNBHD-NFBKMPQASA-N 1 2 454.663 3.736 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCC(N4CCN(CC)C4=O)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313943367 1071622572 /nfs/dbraw/zinc/62/25/72/1071622572.db2.gz RMZFXYKBGNYDNV-UHFFFAOYSA-N 1 2 482.677 3.591 20 0 JHADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CCCC(C)C)C2)CC1 ZINC001313943871 1071623800 /nfs/dbraw/zinc/62/38/00/1071623800.db2.gz WSVGGOYHILLZNW-DEOSSOPVSA-N 1 2 481.689 3.800 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001314016822 1071761115 /nfs/dbraw/zinc/76/11/15/1071761115.db2.gz RQEZILCBXNZLPA-UHFFFAOYSA-N 1 2 465.602 3.768 20 0 JHADLO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074457 1071929710 /nfs/dbraw/zinc/92/97/10/1071929710.db2.gz KQCXJCMTBUJNRE-BXKMTCNYSA-N 1 2 455.534 3.719 20 0 JHADLO CCO[C@]1(c2nnc(N3C[C@H](C)C[C@H]3CC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314096463 1071976454 /nfs/dbraw/zinc/97/64/54/1071976454.db2.gz RFFSNTYSYKYAEG-DZRGJMJISA-N 1 2 456.635 3.845 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCO[C@H]2CCCC[C@H]2C)cc1 ZINC001305925816 1068221638 /nfs/dbraw/zinc/22/16/38/1068221638.db2.gz MWSPAZWSEDCMKE-QPPBQGQZSA-N 1 2 455.647 3.871 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001305926394 1068222618 /nfs/dbraw/zinc/22/26/18/1068222618.db2.gz RNNFIKZKORSQMQ-UHFFFAOYSA-N 1 2 454.644 3.904 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2CC2CC(F)(F)C2)cc1 ZINC001305945531 1068259466 /nfs/dbraw/zinc/25/94/66/1068259466.db2.gz VJAAOTNZKFHCAC-UHFFFAOYSA-N 1 2 474.600 3.543 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)s1 ZINC001306002295 1068375251 /nfs/dbraw/zinc/37/52/51/1068375251.db2.gz ITDOUFKKXVSVIL-WBVHZDCISA-N 1 2 455.632 3.780 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001306047806 1068471615 /nfs/dbraw/zinc/47/16/15/1068471615.db2.gz VSQMCCCZQXJBGO-UHFFFAOYSA-N 1 2 497.663 3.853 20 0 JHADLO CCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306060650 1068498873 /nfs/dbraw/zinc/49/88/73/1068498873.db2.gz ANSWAPNOMQNJIQ-DOTOQJQBSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306060650 1068498874 /nfs/dbraw/zinc/49/88/74/1068498874.db2.gz ANSWAPNOMQNJIQ-DOTOQJQBSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306185402 1068575773 /nfs/dbraw/zinc/57/57/73/1068575773.db2.gz VZBSVHCQZHVADL-DHIUTWEWSA-N 1 2 498.672 3.716 20 0 JHADLO CCc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)n1 ZINC001306241417 1068643734 /nfs/dbraw/zinc/64/37/34/1068643734.db2.gz ZOAQROAZTYWCGG-UHFFFAOYSA-N 1 2 483.690 3.895 20 0 JHADLO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306263974 1068677119 /nfs/dbraw/zinc/67/71/19/1068677119.db2.gz ZXRUXNNTPRZFMR-RXVVDRJESA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001306263974 1068677125 /nfs/dbraw/zinc/67/71/25/1068677125.db2.gz ZXRUXNNTPRZFMR-RXVVDRJESA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306284684 1068702321 /nfs/dbraw/zinc/70/23/21/1068702321.db2.gz USLHKPLQFQKFOW-RXVVDRJESA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306284684 1068702334 /nfs/dbraw/zinc/70/23/34/1068702334.db2.gz USLHKPLQFQKFOW-RXVVDRJESA-N 1 2 489.064 3.597 20 0 JHADLO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001306359066 1068794353 /nfs/dbraw/zinc/79/43/53/1068794353.db2.gz PXEXCOJLVBDVRP-XMMPIXPASA-N 1 2 482.673 3.724 20 0 JHADLO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001306359066 1068794363 /nfs/dbraw/zinc/79/43/63/1068794363.db2.gz PXEXCOJLVBDVRP-XMMPIXPASA-N 1 2 482.673 3.724 20 0 JHADLO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306387698 1068822235 /nfs/dbraw/zinc/82/22/35/1068822235.db2.gz HJEXDRDRSDDYJD-LJQANCHMSA-N 1 2 487.029 3.645 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306456355 1068980833 /nfs/dbraw/zinc/98/08/33/1068980833.db2.gz BVMBERKXUBYARQ-JWUVWSEFSA-N 1 2 456.635 3.710 20 0 JHADLO Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001310497854 1068982878 /nfs/dbraw/zinc/98/28/78/1068982878.db2.gz HDZRWFLNEASCNJ-HNNXBMFYSA-N 1 2 457.884 3.791 20 0 JHADLO CC/C=C\Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306477913 1069018028 /nfs/dbraw/zinc/01/80/28/1069018028.db2.gz JMQMHBKGRIKXPW-HEDKFQSOSA-N 1 2 497.644 3.576 20 0 JHADLO CC/C=C/Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306485996 1069025080 /nfs/dbraw/zinc/02/50/80/1069025080.db2.gz PSWUIGPSMNLZIK-BMOUEYTDSA-N 1 2 480.657 3.573 20 0 JHADLO COc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(S(C)(=O)=O)c1 ZINC001310750147 1069149257 /nfs/dbraw/zinc/14/92/57/1069149257.db2.gz AMZBKIWQEXSLQZ-QGZVFWFLSA-N 1 2 459.490 3.542 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306532904 1069175450 /nfs/dbraw/zinc/17/54/50/1069175450.db2.gz RRJGGHTUUTZPDZ-QHCPKHFHSA-N 1 2 458.994 3.768 20 0 JHADLO CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306546341 1069202397 /nfs/dbraw/zinc/20/23/97/1069202397.db2.gz XHCNDANNPSQGND-SANMLTNESA-N 1 2 464.614 3.740 20 0 JHADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 ZINC001310995390 1069244175 /nfs/dbraw/zinc/24/41/75/1069244175.db2.gz NXEMVIBXTGJHPG-QUCCMNQESA-N 1 2 455.559 3.750 20 0 JHADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306587967 1069256106 /nfs/dbraw/zinc/25/61/06/1069256106.db2.gz YZENHNHBDHFPPE-PZJWPPBQSA-N 1 2 455.651 3.507 20 0 JHADLO CCOC(=O)/C=C\c1ccc(NC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)cc1 ZINC001311142350 1069283015 /nfs/dbraw/zinc/28/30/15/1069283015.db2.gz GCMLITARQIHIDB-XFXZXTDPSA-N 1 2 453.539 3.500 20 0 JHADLO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001306618274 1069300906 /nfs/dbraw/zinc/30/09/06/1069300906.db2.gz NSILWOCGKGTOSR-PKTZIBPZSA-N 1 2 455.647 3.963 20 0 JHADLO O=C(Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1)c1ccc(Br)o1 ZINC000036386619 563128907 /nfs/dbraw/zinc/12/89/07/563128907.db2.gz UPABHWBYZCHLOE-UHFFFAOYSA-N 1 2 455.312 3.652 20 0 JHADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421380 718891147 /nfs/dbraw/zinc/89/11/47/718891147.db2.gz XOVMLVRZGVSGDB-GFCCVEGCSA-N 1 2 474.693 3.585 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC(F)(F)[C@@H]4C3)c2c1C ZINC001164424113 718929449 /nfs/dbraw/zinc/92/94/49/718929449.db2.gz LJULYAFVTAYHJY-CABCVRRESA-N 1 2 466.554 3.633 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164664577 719345442 /nfs/dbraw/zinc/34/54/42/719345442.db2.gz ZEBNXOYAXBUSHK-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164664577 719345444 /nfs/dbraw/zinc/34/54/44/719345444.db2.gz ZEBNXOYAXBUSHK-UHFFFAOYSA-N 1 2 466.973 3.611 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164663536 719346412 /nfs/dbraw/zinc/34/64/12/719346412.db2.gz KBKGLMCKABFKNU-UHFFFAOYSA-N 1 2 472.637 3.609 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164663536 719346415 /nfs/dbraw/zinc/34/64/15/719346415.db2.gz KBKGLMCKABFKNU-UHFFFAOYSA-N 1 2 472.637 3.609 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)cc1 ZINC001164679375 719528749 /nfs/dbraw/zinc/52/87/49/719528749.db2.gz YZBDYDMYUYMAOO-UHFFFAOYSA-N 1 2 458.541 3.826 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)cc1 ZINC001164679375 719528753 /nfs/dbraw/zinc/52/87/53/719528753.db2.gz YZBDYDMYUYMAOO-UHFFFAOYSA-N 1 2 458.541 3.826 20 0 JHADLO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)n1 ZINC001164699548 719830156 /nfs/dbraw/zinc/83/01/56/719830156.db2.gz XCNCDEXAAYLNPX-UHFFFAOYSA-N 1 2 472.927 3.888 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)cc1 ZINC001164696370 719830210 /nfs/dbraw/zinc/83/02/10/719830210.db2.gz ITMLVJBZUHRWHL-JOCHJYFZSA-N 1 2 455.921 3.767 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164699506 719857046 /nfs/dbraw/zinc/85/70/46/719857046.db2.gz FVZGSGRGEARHOM-XOBRGWDASA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(OCc2ccccc2)cc1Cl ZINC001164706665 719864834 /nfs/dbraw/zinc/86/48/34/719864834.db2.gz QGOXTLMUQSJFBL-DVECYGJZSA-N 1 2 459.974 3.547 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC001164703856 719876237 /nfs/dbraw/zinc/87/62/37/719876237.db2.gz KZKHSHYFYYINSQ-OFVILXPXSA-N 1 2 473.017 3.570 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCC)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164716916 720064245 /nfs/dbraw/zinc/06/42/45/720064245.db2.gz XTVWUAOPRQTUDI-BBTUJRGHSA-N 1 2 488.654 3.935 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C2)C1 ZINC001164720979 720298767 /nfs/dbraw/zinc/29/87/67/720298767.db2.gz GPNHMBCJTWAOBW-QHCPKHFHSA-N 1 2 496.961 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C2)C1 ZINC001164720979 720298772 /nfs/dbraw/zinc/29/87/72/720298772.db2.gz GPNHMBCJTWAOBW-QHCPKHFHSA-N 1 2 496.961 3.751 20 0 JHADLO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)s1 ZINC001164823998 720364722 /nfs/dbraw/zinc/36/47/22/720364722.db2.gz GLSGEPQIOSVETD-UHFFFAOYSA-N 1 2 477.059 3.731 20 0 JHADLO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)s1 ZINC001164823998 720364725 /nfs/dbraw/zinc/36/47/25/720364725.db2.gz GLSGEPQIOSVETD-UHFFFAOYSA-N 1 2 477.059 3.731 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164826397 720447677 /nfs/dbraw/zinc/44/76/77/720447677.db2.gz WCDMKCUCWVZLIK-SFHVURJKSA-N 1 2 491.970 3.619 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164859410 720895170 /nfs/dbraw/zinc/89/51/70/720895170.db2.gz QAMWQKCVNSZXOY-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756212 720979990 /nfs/dbraw/zinc/97/99/90/720979990.db2.gz GMXLBFNWEVVDPD-MRXNPFEDSA-N 1 2 460.916 3.996 20 0 JHADLO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914405 721793651 /nfs/dbraw/zinc/79/36/51/721793651.db2.gz NBLCTCKLSRQXDZ-DFHRPNOPSA-N 1 2 488.636 3.511 20 0 JHADLO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914405 721793658 /nfs/dbraw/zinc/79/36/58/721793658.db2.gz NBLCTCKLSRQXDZ-DFHRPNOPSA-N 1 2 488.636 3.511 20 0 JHADLO Clc1ccc(-c2nc3c(c(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)n2)CCC3)s1 ZINC001164915020 721797808 /nfs/dbraw/zinc/79/78/08/721797808.db2.gz UBTYVCFGVJCOQC-RUZDIDTESA-N 1 2 498.052 3.850 20 0 JHADLO Clc1ccc(-c2nc3c(c(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)n2)CCC3)s1 ZINC001164915020 721797811 /nfs/dbraw/zinc/79/78/11/721797811.db2.gz UBTYVCFGVJCOQC-RUZDIDTESA-N 1 2 498.052 3.850 20 0 JHADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164914225 721799032 /nfs/dbraw/zinc/79/90/32/721799032.db2.gz KVQZDSTWJSMDLN-HHHXNRCGSA-N 1 2 494.039 3.840 20 0 JHADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164914225 721799037 /nfs/dbraw/zinc/79/90/37/721799037.db2.gz KVQZDSTWJSMDLN-HHHXNRCGSA-N 1 2 494.039 3.840 20 0 JHADLO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164954599 722007089 /nfs/dbraw/zinc/00/70/89/722007089.db2.gz ZGULQZIZHIEGGM-UHFFFAOYSA-N 1 2 498.656 3.615 20 0 JHADLO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164954599 722007092 /nfs/dbraw/zinc/00/70/92/722007092.db2.gz ZGULQZIZHIEGGM-UHFFFAOYSA-N 1 2 498.656 3.615 20 0 JHADLO O=C(Nc1cc(OC(F)(F)F)ccc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001311259360 1069310316 /nfs/dbraw/zinc/31/03/16/1069310316.db2.gz GFOJUZZYMNHTSL-LBPRGKRZSA-N 1 2 452.271 3.676 20 0 JHADLO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001306627596 1069324282 /nfs/dbraw/zinc/32/42/82/1069324282.db2.gz FWDGYMIJVSPTGT-NRFANRHFSA-N 1 2 469.659 3.929 20 0 JHADLO Cc1nc(C)c(CNC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC001311379364 1069353147 /nfs/dbraw/zinc/35/31/47/1069353147.db2.gz ZSEHNZAXFOOZFW-UHFFFAOYSA-N 1 2 454.575 3.620 20 0 JHADLO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001311545300 1069432393 /nfs/dbraw/zinc/43/23/93/1069432393.db2.gz KQYUGXHOHXCAKR-BVYCBKJFSA-N 1 2 459.631 3.711 20 0 JHADLO CCCCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306693962 1069430969 /nfs/dbraw/zinc/43/09/69/1069430969.db2.gz SGKADGSKDCPQFF-UHFFFAOYSA-N 1 2 455.632 3.540 20 0 JHADLO Cc1cc(-c2noc([C@H](C)NC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2)ccc1F ZINC001311546165 1069432989 /nfs/dbraw/zinc/43/29/89/1069432989.db2.gz SKYZRRDJAXCTFJ-KRWDZBQOSA-N 1 2 453.518 3.577 20 0 JHADLO Cc1cc2c(cc1Br)CN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)CC2 ZINC001311546960 1069433026 /nfs/dbraw/zinc/43/30/26/1069433026.db2.gz ZIECNEOBCQQFGJ-UHFFFAOYSA-N 1 2 458.400 3.858 20 0 JHADLO CCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306708923 1069443223 /nfs/dbraw/zinc/44/32/23/1069443223.db2.gz OGFGCHJXNDJXRG-FQEVSTJZSA-N 1 2 461.054 3.630 20 0 JHADLO CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306709108 1069443296 /nfs/dbraw/zinc/44/32/96/1069443296.db2.gz XZQRQMBNRLHNND-HXUWFJFHSA-N 1 2 487.649 3.811 20 0 JHADLO COc1cc2[nH]c(CCCNC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c(OC)c1 ZINC001311683114 1069502815 /nfs/dbraw/zinc/50/28/15/1069502815.db2.gz YAJJPBPOEISFOJ-UHFFFAOYSA-N 1 2 451.502 3.942 20 0 JHADLO C[C@@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306754339 1069550287 /nfs/dbraw/zinc/55/02/87/1069550287.db2.gz MGRNCOPPSORQJQ-OAHLLOKOSA-N 1 2 451.577 3.991 20 0 JHADLO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[N@H+]2CCOC[C@H]2C)c(Br)c1 ZINC001311893537 1069601100 /nfs/dbraw/zinc/60/11/00/1069601100.db2.gz BKIIYJNEXURRPM-QGZVFWFLSA-N 1 2 450.377 3.783 20 0 JHADLO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(Br)c1 ZINC001311893537 1069601108 /nfs/dbraw/zinc/60/11/08/1069601108.db2.gz BKIIYJNEXURRPM-QGZVFWFLSA-N 1 2 450.377 3.783 20 0 JHADLO CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306809109 1069627115 /nfs/dbraw/zinc/62/71/15/1069627115.db2.gz STTHKZKMXTZYCK-RBBKRZOGSA-N 1 2 459.610 3.757 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311953342 1069632479 /nfs/dbraw/zinc/63/24/79/1069632479.db2.gz KIJAEUUCHXXICJ-FQEVSTJZSA-N 1 2 453.002 3.732 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311953342 1069632483 /nfs/dbraw/zinc/63/24/83/1069632483.db2.gz KIJAEUUCHXXICJ-FQEVSTJZSA-N 1 2 453.002 3.732 20 0 JHADLO CCCN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306814784 1069636382 /nfs/dbraw/zinc/63/63/82/1069636382.db2.gz NZOHRBUPFZXEQT-FPOVZHCZSA-N 1 2 476.666 3.697 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314168627 1069673298 /nfs/dbraw/zinc/67/32/98/1069673298.db2.gz QLCWIFVEALZDFI-KRWDZBQOSA-N 1 2 467.570 3.808 20 0 JHADLO O=C(NCCOC[C@H]1CCCO1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312027287 1069682497 /nfs/dbraw/zinc/68/24/97/1069682497.db2.gz LXBHLHHBXOWGFZ-DNQXCXABSA-N 1 2 458.002 3.952 20 0 JHADLO Cc1cc(N2CCN(C(=O)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)CC2)nc(C(C)C)[nH+]1 ZINC001312153919 1069752595 /nfs/dbraw/zinc/75/25/95/1069752595.db2.gz VEVVPBJBPHBREC-INIZCTEOSA-N 1 2 453.522 3.690 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@H]3CC)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314196415 1069774389 /nfs/dbraw/zinc/77/43/89/1069774389.db2.gz YPBOMOGOFCCROF-DNRQZRRGSA-N 1 2 498.672 3.606 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H]3CC)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314196414 1069774540 /nfs/dbraw/zinc/77/45/40/1069774540.db2.gz YPBOMOGOFCCROF-BPYKYCOYSA-N 1 2 498.672 3.606 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)CC2)c1 ZINC001312278962 1069832569 /nfs/dbraw/zinc/83/25/69/1069832569.db2.gz QXIISTDDQIOEMJ-RDPSFJRHSA-N 1 2 453.583 3.760 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314221291 1069870773 /nfs/dbraw/zinc/87/07/73/1069870773.db2.gz ACPYXVVUTIBHOF-RTWAWAEBSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314221291 1069870792 /nfs/dbraw/zinc/87/07/92/1069870792.db2.gz ACPYXVVUTIBHOF-RTWAWAEBSA-N 1 2 457.619 3.603 20 0 JHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(C)c1 ZINC001312352949 1069881452 /nfs/dbraw/zinc/88/14/52/1069881452.db2.gz YHOZHMMFGUGNPB-SFTDATJTSA-N 1 2 453.587 3.940 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC001307204466 1069907340 /nfs/dbraw/zinc/90/73/40/1069907340.db2.gz PPNZQIAVMIEOQR-HNNXBMFYSA-N 1 2 459.348 3.999 20 0 JHADLO FC(F)(F)COc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nn1 ZINC001307245848 1069913476 /nfs/dbraw/zinc/91/34/76/1069913476.db2.gz MKHKTDTYGGRDRX-UHFFFAOYSA-N 1 2 450.490 3.887 20 0 JHADLO COc1ccc(/C=C2/N=C(SCC[N@@H+]3CCO[C@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282197 1069926981 /nfs/dbraw/zinc/92/69/81/1069926981.db2.gz ZJWHPDIPCRQXGP-KMYAOZERSA-N 1 2 451.592 3.888 20 0 JHADLO COc1ccc(/C=C2/N=C(SCC[N@H+]3CCO[C@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282197 1069926998 /nfs/dbraw/zinc/92/69/98/1069926998.db2.gz ZJWHPDIPCRQXGP-KMYAOZERSA-N 1 2 451.592 3.888 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301656 1069932419 /nfs/dbraw/zinc/93/24/19/1069932419.db2.gz NQPIGYDUDDLBHE-YLJYHZDGSA-N 1 2 454.962 3.717 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301656 1069932433 /nfs/dbraw/zinc/93/24/33/1069932433.db2.gz NQPIGYDUDDLBHE-YLJYHZDGSA-N 1 2 454.962 3.717 20 0 JHADLO CCOC1CC(Cn2c(N3CCC(C(F)(F)F)CC3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314240443 1069941944 /nfs/dbraw/zinc/94/19/44/1069941944.db2.gz OIVCNPVYIRWWQF-UHFFFAOYSA-N 1 2 473.584 3.624 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]3[C@H](O)c3ccccc3)[nH+]c12 ZINC001312474215 1069958837 /nfs/dbraw/zinc/95/88/37/1069958837.db2.gz ARWPSVBZUKDBBB-WOJBJXKFSA-N 1 2 457.372 3.855 20 0 JHADLO CCO[C@H]1C[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)C1(C)C ZINC001314248314 1069969854 /nfs/dbraw/zinc/96/98/54/1069969854.db2.gz XIPVUTVZANFURT-SFTDATJTSA-N 1 2 477.613 3.901 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC001307512995 1070027523 /nfs/dbraw/zinc/02/75/23/1070027523.db2.gz HXTZIPVERNWKMS-AFMDSPMNSA-N 1 2 453.583 3.952 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC001307512995 1070027538 /nfs/dbraw/zinc/02/75/38/1070027538.db2.gz HXTZIPVERNWKMS-AFMDSPMNSA-N 1 2 453.583 3.952 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3nc(-c4ccccc4F)cs3)C2)cc1 ZINC001312621914 1070048569 /nfs/dbraw/zinc/04/85/69/1070048569.db2.gz YGIWEIDOKASSAN-IBGZPJMESA-N 1 2 454.571 3.958 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3nc(-c4ccccc4F)cs3)C2)cc1 ZINC001312621914 1070048577 /nfs/dbraw/zinc/04/85/77/1070048577.db2.gz YGIWEIDOKASSAN-IBGZPJMESA-N 1 2 454.571 3.958 20 0 JHADLO CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314288070 1070064937 /nfs/dbraw/zinc/06/49/37/1070064937.db2.gz PEYVBFVMJVMWJR-UHFFFAOYSA-N 1 2 493.656 3.962 20 0 JHADLO NC(=O)c1c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)sc2c1CCC2 ZINC001307586053 1070065218 /nfs/dbraw/zinc/06/52/18/1070065218.db2.gz DQZDUESUDKHRHN-SFHVURJKSA-N 1 2 455.605 3.572 20 0 JHADLO NC(=O)c1c(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)sc2c1CCC2 ZINC001307586053 1070065233 /nfs/dbraw/zinc/06/52/33/1070065233.db2.gz DQZDUESUDKHRHN-SFHVURJKSA-N 1 2 455.605 3.572 20 0 JHADLO CCOCc1nnc(N(C)Cc2cc(C)cs2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314300824 1070084198 /nfs/dbraw/zinc/08/41/98/1070084198.db2.gz KOXVKSHIFZCQOG-JOCHJYFZSA-N 1 2 455.628 3.894 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001314304901 1070091102 /nfs/dbraw/zinc/09/11/02/1070091102.db2.gz QFFLRMXXEAOCBR-QGZVFWFLSA-N 1 2 488.999 3.744 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001314304901 1070091109 /nfs/dbraw/zinc/09/11/09/1070091109.db2.gz QFFLRMXXEAOCBR-QGZVFWFLSA-N 1 2 488.999 3.744 20 0 JHADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC001307655822 1070105415 /nfs/dbraw/zinc/10/54/15/1070105415.db2.gz AASMKJNUGAJPBY-MRXNPFEDSA-N 1 2 450.630 3.560 20 0 JHADLO C[N@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@@]1(CO)CCOC1 ZINC001307678114 1070120442 /nfs/dbraw/zinc/12/04/42/1070120442.db2.gz FIJPYIVBAANCPX-XMMPIXPASA-N 1 2 455.555 3.566 20 0 JHADLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@@]1(CO)CCOC1 ZINC001307678114 1070120444 /nfs/dbraw/zinc/12/04/44/1070120444.db2.gz FIJPYIVBAANCPX-XMMPIXPASA-N 1 2 455.555 3.566 20 0 JHADLO CCOC(=O)C1=C(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)NC(=O)N[C@H]1c1ccco1 ZINC001307685403 1070124737 /nfs/dbraw/zinc/12/47/37/1070124737.db2.gz PSDNLUMURUVXKB-XIKOKIGWSA-N 1 2 459.453 3.546 20 0 JHADLO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C ZINC001307682280 1070122985 /nfs/dbraw/zinc/12/29/85/1070122985.db2.gz BOAFMPPDZWNSED-AWEZNQCLSA-N 1 2 454.976 3.511 20 0 JHADLO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC001307682280 1070122993 /nfs/dbraw/zinc/12/29/93/1070122993.db2.gz BOAFMPPDZWNSED-AWEZNQCLSA-N 1 2 454.976 3.511 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314331672 1070124584 /nfs/dbraw/zinc/12/45/84/1070124584.db2.gz FHJIGFIMTDZQSE-OAQYLSRUSA-N 1 2 490.446 3.767 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)[C@H](C)CN3CCOCC3)nc21 ZINC001307731079 1070155096 /nfs/dbraw/zinc/15/50/96/1070155096.db2.gz AZNDFAFLXHXIQT-HXUWFJFHSA-N 1 2 452.624 3.790 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)[C@H](C)CN3CCOCC3)nc21 ZINC001307731079 1070155100 /nfs/dbraw/zinc/15/51/00/1070155100.db2.gz AZNDFAFLXHXIQT-HXUWFJFHSA-N 1 2 452.624 3.790 20 0 JHADLO Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(C)[C@H](C)C[NH+]3CCOCC3)nc21 ZINC001307731079 1070155106 /nfs/dbraw/zinc/15/51/06/1070155106.db2.gz AZNDFAFLXHXIQT-HXUWFJFHSA-N 1 2 452.624 3.790 20 0 JHADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733157 1070156962 /nfs/dbraw/zinc/15/69/62/1070156962.db2.gz HKAACJKTWVTDNI-IRLDBZIGSA-N 1 2 458.624 3.739 20 0 JHADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733157 1070156976 /nfs/dbraw/zinc/15/69/76/1070156976.db2.gz HKAACJKTWVTDNI-IRLDBZIGSA-N 1 2 458.624 3.739 20 0 JHADLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001307736944 1070158666 /nfs/dbraw/zinc/15/86/66/1070158666.db2.gz QULFEALLAJRAFO-HXUWFJFHSA-N 1 2 458.925 3.590 20 0 JHADLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001307736944 1070158672 /nfs/dbraw/zinc/15/86/72/1070158672.db2.gz QULFEALLAJRAFO-HXUWFJFHSA-N 1 2 458.925 3.590 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748663 1070164605 /nfs/dbraw/zinc/16/46/05/1070164605.db2.gz IGEOVTLNLABVET-LEWJYISDSA-N 1 2 453.539 3.787 20 0 JHADLO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748663 1070164612 /nfs/dbraw/zinc/16/46/12/1070164612.db2.gz IGEOVTLNLABVET-LEWJYISDSA-N 1 2 453.539 3.787 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773162 1070177874 /nfs/dbraw/zinc/17/78/74/1070177874.db2.gz LROYTQWVRXUXLU-SJORKVTESA-N 1 2 451.637 3.644 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773162 1070177877 /nfs/dbraw/zinc/17/78/77/1070177877.db2.gz LROYTQWVRXUXLU-SJORKVTESA-N 1 2 451.637 3.644 20 0 JHADLO C[C@@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312928494 1070185753 /nfs/dbraw/zinc/18/57/53/1070185753.db2.gz XWONEFMAAXCAHS-BAGYTPMASA-N 1 2 459.631 3.785 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@@H](c3cnn(C)c3)C(C)(C)C1)C[C@H](C)CC2 ZINC001307799278 1070187186 /nfs/dbraw/zinc/18/71/86/1070187186.db2.gz LODXVEPAWXZFET-QAPCUYQASA-N 1 2 458.628 3.847 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@@H](c3cnn(C)c3)C(C)(C)C1)C[C@H](C)CC2 ZINC001307799278 1070187191 /nfs/dbraw/zinc/18/71/91/1070187191.db2.gz LODXVEPAWXZFET-QAPCUYQASA-N 1 2 458.628 3.847 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804481 1070190454 /nfs/dbraw/zinc/19/04/54/1070190454.db2.gz IZPQAAHPGUXSFP-DNKZPPIMSA-N 1 2 450.554 3.995 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804481 1070190458 /nfs/dbraw/zinc/19/04/58/1070190458.db2.gz IZPQAAHPGUXSFP-DNKZPPIMSA-N 1 2 450.554 3.995 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@@](CO)(Cc4ccccc4)C3)n2)CC1 ZINC001307805102 1070191533 /nfs/dbraw/zinc/19/15/33/1070191533.db2.gz TYASYPSSIBQXLP-RUZDIDTESA-N 1 2 456.656 3.631 20 0 JHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001307862062 1070214851 /nfs/dbraw/zinc/21/48/51/1070214851.db2.gz WADFQKAHDDXFJI-XUVXKRRUSA-N 1 2 462.340 3.560 20 0 JHADLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001307862062 1070214858 /nfs/dbraw/zinc/21/48/58/1070214858.db2.gz WADFQKAHDDXFJI-XUVXKRRUSA-N 1 2 462.340 3.560 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1c1ccc(F)cc1F ZINC001307862423 1070215325 /nfs/dbraw/zinc/21/53/25/1070215325.db2.gz ZPLDFGDQBKNHNX-NLWGTHIKSA-N 1 2 468.422 3.978 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1c1ccc(F)cc1F ZINC001307862423 1070215340 /nfs/dbraw/zinc/21/53/40/1070215340.db2.gz ZPLDFGDQBKNHNX-NLWGTHIKSA-N 1 2 468.422 3.978 20 0 JHADLO CCOCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314377458 1070218911 /nfs/dbraw/zinc/21/89/11/1070218911.db2.gz SOFLPYDSBVDLMO-UHFFFAOYSA-N 1 2 494.615 3.571 20 0 JHADLO CC(C)c1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC2 ZINC001307912219 1070237018 /nfs/dbraw/zinc/23/70/18/1070237018.db2.gz QLQCCOICSBQYBK-UHFFFAOYSA-N 1 2 450.004 3.711 20 0 JHADLO CC(C)c1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC2 ZINC001307912219 1070237034 /nfs/dbraw/zinc/23/70/34/1070237034.db2.gz QLQCCOICSBQYBK-UHFFFAOYSA-N 1 2 450.004 3.711 20 0 JHADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001307929291 1070247067 /nfs/dbraw/zinc/24/70/67/1070247067.db2.gz LKJXONOZFKDHRK-VOQZNFBZSA-N 1 2 458.400 3.670 20 0 JHADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001307929291 1070247075 /nfs/dbraw/zinc/24/70/75/1070247075.db2.gz LKJXONOZFKDHRK-VOQZNFBZSA-N 1 2 458.400 3.670 20 0 JHADLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC001307922092 1070244404 /nfs/dbraw/zinc/24/44/04/1070244404.db2.gz SSYXXBLRKOQBCR-MRXNPFEDSA-N 1 2 453.518 3.501 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001314392546 1070249283 /nfs/dbraw/zinc/24/92/83/1070249283.db2.gz QVAABNKLJOBBJP-UHFFFAOYSA-N 1 2 497.619 3.753 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168244 1070278269 /nfs/dbraw/zinc/27/82/69/1070278269.db2.gz OKDGAPNESFAMCH-NHCUHLMSSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168244 1070278278 /nfs/dbraw/zinc/27/82/78/1070278278.db2.gz OKDGAPNESFAMCH-NHCUHLMSSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169997 1070279175 /nfs/dbraw/zinc/27/91/75/1070279175.db2.gz PQOPSSZSORWSHE-XZOQPEGZSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169997 1070279186 /nfs/dbraw/zinc/27/91/86/1070279186.db2.gz PQOPSSZSORWSHE-XZOQPEGZSA-N 1 2 459.631 3.882 20 0 JHADLO CCOc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)nc2nc(C(F)(F)F)nn21 ZINC001308051951 1070294521 /nfs/dbraw/zinc/29/45/21/1070294521.db2.gz ZSWDUEIRFWNFIA-LBPRGKRZSA-N 1 2 451.449 3.678 20 0 JHADLO CCOc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)nc2nc(C(F)(F)F)nn21 ZINC001308051951 1070294533 /nfs/dbraw/zinc/29/45/33/1070294533.db2.gz ZSWDUEIRFWNFIA-LBPRGKRZSA-N 1 2 451.449 3.678 20 0 JHADLO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308064147 1070298891 /nfs/dbraw/zinc/29/88/91/1070298891.db2.gz DKFNNSFMCWSYQF-SFHVURJKSA-N 1 2 456.587 3.616 20 0 JHADLO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308064147 1070298897 /nfs/dbraw/zinc/29/88/97/1070298897.db2.gz DKFNNSFMCWSYQF-SFHVURJKSA-N 1 2 456.587 3.616 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCc3coc(-c4ccc(C)cc4)n3)CC2)c1 ZINC001313272115 1070311951 /nfs/dbraw/zinc/31/19/51/1070311951.db2.gz QXKBFRFNEMJRHZ-UHFFFAOYSA-N 1 2 450.539 3.565 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC001313306056 1070321817 /nfs/dbraw/zinc/32/18/17/1070321817.db2.gz NXHSUXMVFUAMTF-MRXNPFEDSA-N 1 2 456.399 3.824 20 0 JHADLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1C ZINC001308146637 1070328776 /nfs/dbraw/zinc/32/87/76/1070328776.db2.gz GULWJTFTIWYGAA-UHFFFAOYSA-N 1 2 453.608 3.816 20 0 JHADLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1C ZINC001308146637 1070328790 /nfs/dbraw/zinc/32/87/90/1070328790.db2.gz GULWJTFTIWYGAA-UHFFFAOYSA-N 1 2 453.608 3.816 20 0 JHADLO CCOC[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314440831 1070329276 /nfs/dbraw/zinc/32/92/76/1070329276.db2.gz BQXAAHCPDPMTPW-MSOLQXFVSA-N 1 2 498.455 3.747 20 0 JHADLO CCCNC(=O)c1cccc(C[NH2+]Cc2nc(Br)c(Br)n2CC)c1 ZINC001308206247 1070339995 /nfs/dbraw/zinc/33/99/95/1070339995.db2.gz BQLYOTGNWWKLEO-UHFFFAOYSA-N 1 2 458.198 3.858 20 0 JHADLO CCCn1nc(-c2nnc(N(CC)CC(C)C)n2CC[N@@H+]2CCOCC2(C)C)c2ccccc2c1=O ZINC001313454260 1070388683 /nfs/dbraw/zinc/38/86/83/1070388683.db2.gz ICUWFGQIUCQEDW-UHFFFAOYSA-N 1 2 495.672 3.658 20 0 JHADLO CCCn1nc(-c2nnc(N(CC)CC(C)C)n2CC[N@H+]2CCOCC2(C)C)c2ccccc2c1=O ZINC001313454260 1070388696 /nfs/dbraw/zinc/38/86/96/1070388696.db2.gz ICUWFGQIUCQEDW-UHFFFAOYSA-N 1 2 495.672 3.658 20 0 JHADLO COc1ccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(Br)c1O ZINC001308560995 1070389246 /nfs/dbraw/zinc/38/92/46/1070389246.db2.gz LALKIYSSQAOKTN-KRWDZBQOSA-N 1 2 455.780 3.668 20 0 JHADLO COC(=O)c1cc(Br)oc1CN(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001308619289 1070403382 /nfs/dbraw/zinc/40/33/82/1070403382.db2.gz LVDZCZFUDLGSJS-MRXNPFEDSA-N 1 2 451.361 3.552 20 0 JHADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001308654965 1070411627 /nfs/dbraw/zinc/41/16/27/1070411627.db2.gz NHBASIOYYIVIQY-UHFFFAOYSA-N 1 2 452.521 3.788 20 0 JHADLO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308732167 1070427633 /nfs/dbraw/zinc/42/76/33/1070427633.db2.gz QPAHXRBGCHMHSQ-OKZBNKHCSA-N 1 2 451.571 3.873 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001314504939 1070445946 /nfs/dbraw/zinc/44/59/46/1070445946.db2.gz MEFAQYJXZFDNSS-UHFFFAOYSA-N 1 2 489.045 3.733 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001313469184 1070451622 /nfs/dbraw/zinc/45/16/22/1070451622.db2.gz SSOWFHIDLJNSQT-LJQANCHMSA-N 1 2 453.635 3.578 20 0 JHADLO Cc1cccc(C(=O)NC2CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)c1 ZINC001308885427 1070454104 /nfs/dbraw/zinc/45/41/04/1070454104.db2.gz CXDLNCRWAPXTTG-UHFFFAOYSA-N 1 2 454.372 3.733 20 0 JHADLO FC(F)(F)c1ccnc([C@H]2CC[N@H+](Cc3cn(-c4ccccc4Br)nn3)C2)n1 ZINC001308961067 1070466061 /nfs/dbraw/zinc/46/60/61/1070466061.db2.gz PWOHOFFUEPYRNZ-LBPRGKRZSA-N 1 2 453.266 3.828 20 0 JHADLO FC(F)(F)c1ccnc([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4Br)nn3)C2)n1 ZINC001308961067 1070466070 /nfs/dbraw/zinc/46/60/70/1070466070.db2.gz PWOHOFFUEPYRNZ-LBPRGKRZSA-N 1 2 453.266 3.828 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308966197 1070468552 /nfs/dbraw/zinc/46/85/52/1070468552.db2.gz PBMSTYFADLDUON-JZXOWHBKSA-N 1 2 455.393 3.959 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001313503563 1070534199 /nfs/dbraw/zinc/53/41/99/1070534199.db2.gz JPPYQWGTYIEZPU-UHFFFAOYSA-N 1 2 480.613 3.867 20 0 JHADLO CC[S@](=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001314571441 1070577800 /nfs/dbraw/zinc/57/78/00/1070577800.db2.gz JUDMOPXHXJIWOC-YTTGMZPUSA-N 1 2 494.086 3.759 20 0 JHADLO COc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1OC ZINC001309174157 1070584788 /nfs/dbraw/zinc/58/47/88/1070584788.db2.gz OKIVNPUOGQQKKO-UHFFFAOYSA-N 1 2 459.395 3.954 20 0 JHADLO CC[S@](=O)CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001314580565 1070592329 /nfs/dbraw/zinc/59/23/29/1070592329.db2.gz UXNHUZMVZAUGBR-WHUARKNTSA-N 1 2 459.660 3.596 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001313530832 1070613361 /nfs/dbraw/zinc/61/33/61/1070613361.db2.gz XLRVPEPMCXJQDO-NRFANRHFSA-N 1 2 464.618 3.810 20 0 JHADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314594089 1070630522 /nfs/dbraw/zinc/63/05/22/1070630522.db2.gz JNEPQUZDIRYISU-IYWMVGAKSA-N 1 2 497.756 3.655 20 0 JHADLO Cc1ccc(NC(=O)C2(CNS(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)CCCC2)cc1C ZINC001309248506 1070644091 /nfs/dbraw/zinc/64/40/91/1070644091.db2.gz PEWSOPJAMDZMFG-UHFFFAOYSA-N 1 2 455.624 3.769 20 0 JHADLO Cc1ccc(NC(=O)C2(CNS(=O)(=O)c3cccc4c3CC[N@H+](C)C4)CCCC2)cc1C ZINC001309248506 1070644095 /nfs/dbraw/zinc/64/40/95/1070644095.db2.gz PEWSOPJAMDZMFG-UHFFFAOYSA-N 1 2 455.624 3.769 20 0 JHADLO O=S(=O)(c1csc(-c2cccc(Br)c2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001309259439 1070650978 /nfs/dbraw/zinc/65/09/78/1070650978.db2.gz GSSKJDGRQBLICG-UHFFFAOYSA-N 1 2 453.387 3.864 20 0 JHADLO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001313546942 1070656743 /nfs/dbraw/zinc/65/67/43/1070656743.db2.gz QMLUTNKDMQELEK-LJQANCHMSA-N 1 2 469.634 3.913 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001314604356 1070659884 /nfs/dbraw/zinc/65/98/84/1070659884.db2.gz QZXQOOGPGCEEKM-GUDVDZBRSA-N 1 2 497.756 3.657 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314612450 1070678225 /nfs/dbraw/zinc/67/82/25/1070678225.db2.gz ZNTGQKVTPUCREE-UYAOXDASSA-N 1 2 471.675 3.631 20 0 JHADLO CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313561725 1070679139 /nfs/dbraw/zinc/67/91/39/1070679139.db2.gz ONGMHKZGYOJDLQ-FQEVSTJZSA-N 1 2 473.419 3.576 20 0 JHADLO CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001313562773 1070679903 /nfs/dbraw/zinc/67/99/03/1070679903.db2.gz WBYOJDWLBOLKMD-OAHLLOKOSA-N 1 2 489.393 3.971 20 0 JHADLO CC1(C)[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1(F)F ZINC001309305230 1070685333 /nfs/dbraw/zinc/68/53/33/1070685333.db2.gz PHCJBKVCXGRZAX-MRXNPFEDSA-N 1 2 451.377 3.624 20 0 JHADLO CCSCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001314619467 1070695329 /nfs/dbraw/zinc/69/53/29/1070695329.db2.gz FWOXAWVZGDYUBE-OAQYLSRUSA-N 1 2 463.623 3.743 20 0 JHADLO Cn1cnc2cc(S(=O)(=O)NC3CC[NH+](Cc4cc(Cl)cc(Cl)c4)CC3)ccc21 ZINC001309344012 1070711497 /nfs/dbraw/zinc/71/14/97/1070711497.db2.gz LQACQAVGMIVRDQ-UHFFFAOYSA-N 1 2 453.395 3.823 20 0 JHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)Cc2ncsc2Br)c(C)c1 ZINC001309334266 1070705914 /nfs/dbraw/zinc/70/59/14/1070705914.db2.gz HUPZDEIDYYNHNL-OAHLLOKOSA-N 1 2 455.403 3.580 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCSC(C)(C)C1)c1c(F)cccc1F ZINC001314649837 1070756848 /nfs/dbraw/zinc/75/68/48/1070756848.db2.gz DVFUINFJRVJVDE-MAUKXSAKSA-N 1 2 451.587 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1)c1c(F)cccc1F ZINC001314651937 1070761917 /nfs/dbraw/zinc/76/19/17/1070761917.db2.gz SYIGFEPOFDEXHQ-RTWAWAEBSA-N 1 2 490.599 3.583 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2ccccc2F)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313633446 1070764474 /nfs/dbraw/zinc/76/44/74/1070764474.db2.gz IERFGZKNWADTNN-XMMPIXPASA-N 1 2 477.650 3.686 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccc(Cl)cc3)n1CCNC(=O)C(C)(C)C)C2 ZINC001314663110 1070790731 /nfs/dbraw/zinc/79/07/31/1070790731.db2.gz CGMMCYQNDORDTB-UHFFFAOYSA-N 1 2 496.059 3.708 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)c[nH+]1 ZINC001314660705 1070785264 /nfs/dbraw/zinc/78/52/64/1070785264.db2.gz HZAZMADMICWKJU-LJQANCHMSA-N 1 2 472.540 3.919 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)c[nH+]1 ZINC001314661160 1070785652 /nfs/dbraw/zinc/78/56/52/1070785652.db2.gz LABFOPUGNNSLQC-SFHVURJKSA-N 1 2 491.587 3.747 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314661839 1070787786 /nfs/dbraw/zinc/78/77/86/1070787786.db2.gz SGAKMSQETOZOAL-IBGZPJMESA-N 1 2 471.650 3.822 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001313646886 1070810017 /nfs/dbraw/zinc/81/00/17/1070810017.db2.gz IHXVPCAIGYOWEB-LJQANCHMSA-N 1 2 459.038 3.635 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(Cl)c1 ZINC001309640895 1070896774 /nfs/dbraw/zinc/89/67/74/1070896774.db2.gz IGDLDHXEVHTHCQ-ULQDDVLXSA-N 1 2 450.988 3.799 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)C ZINC001314712416 1070896727 /nfs/dbraw/zinc/89/67/27/1070896727.db2.gz LRDWSOHVIBCBQD-OALUTQOASA-N 1 2 474.675 3.627 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(Cl)c1 ZINC001309640895 1070896798 /nfs/dbraw/zinc/89/67/98/1070896798.db2.gz IGDLDHXEVHTHCQ-ULQDDVLXSA-N 1 2 450.988 3.799 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001313673419 1070907275 /nfs/dbraw/zinc/90/72/75/1070907275.db2.gz MQXZSFJYSMYQKJ-ICSRJNTNSA-N 1 2 495.603 3.548 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c[nH+]1 ZINC001313673784 1070908596 /nfs/dbraw/zinc/90/85/96/1070908596.db2.gz NTEWHHMZOOQPTB-UHFFFAOYSA-N 1 2 479.629 3.974 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](CC(C)C)C2)c[nH+]1 ZINC001313675987 1070918732 /nfs/dbraw/zinc/91/87/32/1070918732.db2.gz SKAWLSODAVUOJP-HXUWFJFHSA-N 1 2 453.635 3.676 20 0 JHADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001309682545 1070920643 /nfs/dbraw/zinc/92/06/43/1070920643.db2.gz BXDGZKKAOXUOJH-LJQANCHMSA-N 1 2 450.988 3.658 20 0 JHADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001309682545 1070920655 /nfs/dbraw/zinc/92/06/55/1070920655.db2.gz BXDGZKKAOXUOJH-LJQANCHMSA-N 1 2 450.988 3.658 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)c[nH+]1 ZINC001313677956 1070927813 /nfs/dbraw/zinc/92/78/13/1070927813.db2.gz BUTIJPCWIMFWRR-OAQYLSRUSA-N 1 2 464.614 3.989 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001313679084 1070934036 /nfs/dbraw/zinc/93/40/36/1070934036.db2.gz HIDZZDQNSJFBEO-ROUUACIJSA-N 1 2 468.524 3.577 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)c[nH+]1 ZINC001313680558 1070939069 /nfs/dbraw/zinc/93/90/69/1070939069.db2.gz WDFKADILQKCFDU-QFIPXVFZSA-N 1 2 463.630 3.805 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC001313680557 1070939126 /nfs/dbraw/zinc/93/91/26/1070939126.db2.gz WDFKADILQKCFDU-JOCHJYFZSA-N 1 2 463.630 3.805 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)c[nH+]1 ZINC001313679302 1070934545 /nfs/dbraw/zinc/93/45/45/1070934545.db2.gz QZZWKVDCHOGRIF-GOSISDBHSA-N 1 2 467.643 3.949 20 0 JHADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1C(C)(C)C ZINC001309833720 1070989443 /nfs/dbraw/zinc/98/94/43/1070989443.db2.gz VKJVHJLLGPFROW-CQSZACIVSA-N 1 2 454.228 3.562 20 0 JHADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1C(C)(C)C ZINC001309833720 1070989447 /nfs/dbraw/zinc/98/94/47/1070989447.db2.gz VKJVHJLLGPFROW-CQSZACIVSA-N 1 2 454.228 3.562 20 0 JHADLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)[nH+]c1C ZINC001309855146 1070997412 /nfs/dbraw/zinc/99/74/12/1070997412.db2.gz VCESSALZWCVIKI-HKBOAZHASA-N 1 2 460.600 3.588 20 0 JHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(n4cc(Br)cn4)CC3)n2)C1 ZINC001310034789 1071073857 /nfs/dbraw/zinc/07/38/57/1071073857.db2.gz QXUOXFQQLCRJAL-CYBMUJFWSA-N 1 2 453.410 3.645 20 0 JHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(n4cc(Br)cn4)CC3)n2)C1 ZINC001310034789 1071073868 /nfs/dbraw/zinc/07/38/68/1071073868.db2.gz QXUOXFQQLCRJAL-CYBMUJFWSA-N 1 2 453.410 3.645 20 0 JHADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001310138390 1071147000 /nfs/dbraw/zinc/14/70/00/1071147000.db2.gz CPIZXIXLEQDDER-CWLKWCNXSA-N 1 2 457.493 3.501 20 0 JHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)C[C@@H](C)O1 ZINC001310140073 1071148606 /nfs/dbraw/zinc/14/86/06/1071148606.db2.gz OWFXUXGOLGFWAM-VFSLUADLSA-N 1 2 459.612 3.714 20 0 JHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCOc2cccc(C(F)(F)F)n2)C[C@@H](C)O1 ZINC001310141003 1071149295 /nfs/dbraw/zinc/14/92/95/1071149295.db2.gz XSOOMVBBXVOJOM-HZPDHXFCSA-N 1 2 452.477 3.910 20 0 JHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCOc2cccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001310141001 1071149452 /nfs/dbraw/zinc/14/94/52/1071149452.db2.gz XSOOMVBBXVOJOM-HOTGVXAUSA-N 1 2 452.477 3.910 20 0 JHADLO CN(CCc1ccc(Cl)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314829752 1071160368 /nfs/dbraw/zinc/16/03/68/1071160368.db2.gz XSKRXQROJCUCIN-NRFANRHFSA-N 1 2 462.038 3.963 20 0 JHADLO CN(CCc1ccc(Cl)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001314829752 1071160372 /nfs/dbraw/zinc/16/03/72/1071160372.db2.gz XSKRXQROJCUCIN-NRFANRHFSA-N 1 2 462.038 3.963 20 0 JHADLO CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314829753 1071160403 /nfs/dbraw/zinc/16/04/03/1071160403.db2.gz XSKRXQROJCUCIN-OAQYLSRUSA-N 1 2 462.038 3.963 20 0 JHADLO CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001314829753 1071160417 /nfs/dbraw/zinc/16/04/17/1071160417.db2.gz XSKRXQROJCUCIN-OAQYLSRUSA-N 1 2 462.038 3.963 20 0 JHADLO CN(CCc1nccs1)c1nnc(Cc2ccncc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314836945 1071179132 /nfs/dbraw/zinc/17/91/32/1071179132.db2.gz FLIKAYRJVZVCGO-FQEVSTJZSA-N 1 2 483.592 3.980 20 0 JHADLO CCN(C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2c[nH+]ccc2OC)C1)CC(F)(F)F ZINC001313790172 1071182738 /nfs/dbraw/zinc/18/27/38/1071182738.db2.gz SYFHISYXEFWUPL-QGZVFWFLSA-N 1 2 475.519 3.503 20 0 JHADLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)n1 ZINC001310231072 1071224031 /nfs/dbraw/zinc/22/40/31/1071224031.db2.gz VFEVIOFFGLGBRH-DOTOQJQBSA-N 1 2 455.950 3.686 20 0 JHADLO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313819233 1071272961 /nfs/dbraw/zinc/27/29/61/1071272961.db2.gz JPKCDLGRICRDPY-IBGZPJMESA-N 1 2 493.640 3.689 20 0 JHADLO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313819233 1071272969 /nfs/dbraw/zinc/27/29/69/1071272969.db2.gz JPKCDLGRICRDPY-IBGZPJMESA-N 1 2 493.640 3.689 20 0 JHADLO COc1ccc(C2=NO[C@H](CNC(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)C2)cc1C ZINC001310289439 1071273318 /nfs/dbraw/zinc/27/33/18/1071273318.db2.gz CIXRFEYIQQICSH-AVRDEDQJSA-N 1 2 452.555 3.712 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CCc1nc(C(F)(F)F)cs1 ZINC001314870176 1071280243 /nfs/dbraw/zinc/28/02/43/1071280243.db2.gz CEHJIIZXWNENMK-UHFFFAOYSA-N 1 2 484.523 3.571 20 0 JHADLO CN(CCn1cccn1)c1nnc(-c2cccc(Br)c2)n1CCCNc1cccc[nH+]1 ZINC001314868733 1071277975 /nfs/dbraw/zinc/27/79/75/1071277975.db2.gz UAGHMQMAUASYKC-UHFFFAOYSA-N 1 2 481.402 3.938 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1Cl ZINC001314870911 1071282644 /nfs/dbraw/zinc/28/26/44/1071282644.db2.gz WPXHLPANGMVGBK-UHFFFAOYSA-N 1 2 465.360 3.603 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001313823713 1071289501 /nfs/dbraw/zinc/28/95/01/1071289501.db2.gz PYLKICBZEYQYAZ-UHFFFAOYSA-N 1 2 489.045 3.513 20 0 JHADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001310309016 1071289814 /nfs/dbraw/zinc/28/98/14/1071289814.db2.gz ZWCWMJLJHOJBPF-SFHVURJKSA-N 1 2 450.539 3.547 20 0 JHADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001310309016 1071289822 /nfs/dbraw/zinc/28/98/22/1071289822.db2.gz ZWCWMJLJHOJBPF-SFHVURJKSA-N 1 2 450.539 3.547 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1Cc1ccccc1OC(F)(F)F ZINC001314873869 1071290645 /nfs/dbraw/zinc/29/06/45/1071290645.db2.gz KLJMXLIFKPDXTC-UHFFFAOYSA-N 1 2 467.536 3.726 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001313831648 1071304785 /nfs/dbraw/zinc/30/47/85/1071304785.db2.gz YOFVNHOEDYSAJO-UHFFFAOYSA-N 1 2 488.702 3.561 20 0 JHADLO Cc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OCC1CCCCC1 ZINC001310348043 1071329945 /nfs/dbraw/zinc/32/99/45/1071329945.db2.gz UCCBPDUOUXXEPQ-UHFFFAOYSA-N 1 2 451.633 3.585 20 0 JHADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001310465692 1071407371 /nfs/dbraw/zinc/40/73/71/1071407371.db2.gz CGUYDLRGCMFTGI-UHFFFAOYSA-N 1 2 453.406 3.729 20 0 JHADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001310465692 1071407372 /nfs/dbraw/zinc/40/73/72/1071407372.db2.gz CGUYDLRGCMFTGI-UHFFFAOYSA-N 1 2 453.406 3.729 20 0 JHADLO COCCn1ccc2ccc(NC(=O)N3CC[NH+](CCOc4cccc(OC)c4)CC3)cc21 ZINC001310478646 1071419845 /nfs/dbraw/zinc/41/98/45/1071419845.db2.gz RGWMNQBRLXVXRV-UHFFFAOYSA-N 1 2 452.555 3.525 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c[nH+]ccc1OC ZINC001314951212 1071420398 /nfs/dbraw/zinc/42/03/98/1071420398.db2.gz OLCKZPJTOJBFGP-MRXNPFEDSA-N 1 2 468.627 3.546 20 0 JHADLO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001315032497 1071563362 /nfs/dbraw/zinc/56/33/62/1071563362.db2.gz PZYGBSWCBQSKQP-LJQANCHMSA-N 1 2 495.603 3.563 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926161 1071575407 /nfs/dbraw/zinc/57/54/07/1071575407.db2.gz AGRIWZBGVZXFCF-LOSJGSFVSA-N 1 2 498.716 3.753 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926452 1071576217 /nfs/dbraw/zinc/57/62/17/1071576217.db2.gz CHLKTMYJESIWTO-HXUWFJFHSA-N 1 2 458.626 3.791 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928121 1071582499 /nfs/dbraw/zinc/58/24/99/1071582499.db2.gz QLWCUWBLRYIMGQ-HXUWFJFHSA-N 1 2 458.626 3.649 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929334 1071586789 /nfs/dbraw/zinc/58/67/89/1071586789.db2.gz YZXTZTPODCCSEF-VQTJNVASSA-N 1 2 491.080 3.540 20 0 JHADLO COC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315075292 1071587605 /nfs/dbraw/zinc/58/76/05/1071587605.db2.gz BAKSDWMGGOODEY-INIZCTEOSA-N 1 2 487.402 3.761 20 0 JHADLO CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001313971487 1071696081 /nfs/dbraw/zinc/69/60/81/1071696081.db2.gz QLCMVZBLXJFSHB-UHFFFAOYSA-N 1 2 459.038 3.684 20 0 JHADLO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001313996772 1071733415 /nfs/dbraw/zinc/73/34/15/1071733415.db2.gz YIWILCWSEPBZDN-HXUWFJFHSA-N 1 2 495.603 3.745 20 0 JHADLO CCO[C@]1(c2nnc(N(CC)Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001314101589 1071986077 /nfs/dbraw/zinc/98/60/77/1071986077.db2.gz SIAMYVQZFJSDSL-RUZDIDTESA-N 1 2 468.577 3.605 20 0 JHADLO CCCCN1C(=O)CC[C@@H](C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)[C@@H]1c1ccccc1OC ZINC001305932550 1068233257 /nfs/dbraw/zinc/23/32/57/1068233257.db2.gz DOQKBENYANKVAZ-RDGATRHJSA-N 1 2 452.599 3.979 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)n2CC(C)(C)COC)cc1 ZINC001305945941 1068260151 /nfs/dbraw/zinc/26/01/51/1068260151.db2.gz ZCHRSBPXJCMNIU-QFIPXVFZSA-N 1 2 496.700 3.703 20 0 JHADLO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001306108030 1068520949 /nfs/dbraw/zinc/52/09/49/1068520949.db2.gz FTWSGXFODLWKTB-FUHWJXTLSA-N 1 2 452.525 3.676 20 0 JHADLO CCc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306134938 1068537821 /nfs/dbraw/zinc/53/78/21/1068537821.db2.gz PPJHMNZGMOMDBY-UHFFFAOYSA-N 1 2 471.650 3.823 20 0 JHADLO CCc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306180980 1068572421 /nfs/dbraw/zinc/57/24/21/1068572421.db2.gz TWGYKVMFMXMYIR-XMMPIXPASA-N 1 2 498.672 3.527 20 0 JHADLO CN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181063 1068572505 /nfs/dbraw/zinc/57/25/05/1068572505.db2.gz XOOIAGIHGNRHBN-RDTXWAMCSA-N 1 2 452.502 3.698 20 0 JHADLO CN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181063 1068572513 /nfs/dbraw/zinc/57/25/13/1068572513.db2.gz XOOIAGIHGNRHBN-RDTXWAMCSA-N 1 2 452.502 3.698 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001306197636 1068589836 /nfs/dbraw/zinc/58/98/36/1068589836.db2.gz QHMBOPFQLBZZFK-UHFFFAOYSA-N 1 2 482.633 3.740 20 0 JHADLO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001306228918 1068614480 /nfs/dbraw/zinc/61/44/80/1068614480.db2.gz YWMKIQLHTGINMC-QKLQHJQFSA-N 1 2 490.599 3.725 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1cccc[nH+]1 ZINC001306265600 1068680234 /nfs/dbraw/zinc/68/02/34/1068680234.db2.gz XRGIZSRMLSYZPJ-DENIHFKCSA-N 1 2 497.669 3.717 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001306279749 1068694732 /nfs/dbraw/zinc/69/47/32/1068694732.db2.gz POFXKJXULQBMPH-BHIFYINESA-N 1 2 470.662 3.517 20 0 JHADLO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CCS1 ZINC001306385318 1068818486 /nfs/dbraw/zinc/81/84/86/1068818486.db2.gz OAGXAARLKDPTAW-FQEVSTJZSA-N 1 2 471.675 3.572 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306399689 1068855871 /nfs/dbraw/zinc/85/58/71/1068855871.db2.gz CYNXDCIVTNJKLO-KZHZLOHLSA-N 1 2 494.105 3.693 20 0 JHADLO CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306400066 1068857247 /nfs/dbraw/zinc/85/72/47/1068857247.db2.gz MZHONIAKEDHMAU-NHTMILBNSA-N 1 2 498.672 3.790 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001306455672 1068979031 /nfs/dbraw/zinc/97/90/31/1068979031.db2.gz QDWQMULQLBTNIM-SFTDATJTSA-N 1 2 459.660 3.526 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001306456332 1068981004 /nfs/dbraw/zinc/98/10/04/1068981004.db2.gz BISJLNYUCBXEPE-LJQANCHMSA-N 1 2 480.078 3.950 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001306456332 1068981016 /nfs/dbraw/zinc/98/10/16/1068981016.db2.gz BISJLNYUCBXEPE-LJQANCHMSA-N 1 2 480.078 3.950 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306456432 1068981536 /nfs/dbraw/zinc/98/15/36/1068981536.db2.gz DVACFQMTBRIPKX-LJQANCHMSA-N 1 2 468.627 3.704 20 0 JHADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001310536867 1069004809 /nfs/dbraw/zinc/00/48/09/1069004809.db2.gz WOMIMZULUUZVOH-UHFFFAOYSA-N 1 2 453.768 3.541 20 0 JHADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001310536867 1069004822 /nfs/dbraw/zinc/00/48/22/1069004822.db2.gz WOMIMZULUUZVOH-UHFFFAOYSA-N 1 2 453.768 3.541 20 0 JHADLO CSc1cccc(NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC001310700754 1069119117 /nfs/dbraw/zinc/11/91/17/1069119117.db2.gz YUNXGAXQCZCMSI-UHFFFAOYSA-N 1 2 452.559 3.986 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306528201 1069161557 /nfs/dbraw/zinc/16/15/57/1069161557.db2.gz NGDWIUVXGQNBAT-XMMPIXPASA-N 1 2 490.555 3.716 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001306538719 1069185993 /nfs/dbraw/zinc/18/59/93/1069185993.db2.gz XZHMKBBZQDRRIX-ROKPMTFOSA-N 1 2 477.675 3.642 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)NC2CC(F)(F)C2)CC1 ZINC001310846151 1069191925 /nfs/dbraw/zinc/19/19/25/1069191925.db2.gz JFICNSAJAXRBCB-UHFFFAOYSA-N 1 2 454.518 3.537 20 0 JHADLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)nn1C(C)C ZINC001310892471 1069212168 /nfs/dbraw/zinc/21/21/68/1069212168.db2.gz CPSLIPBOXOGRAR-UHFFFAOYSA-N 1 2 451.550 3.955 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001306559794 1069230151 /nfs/dbraw/zinc/23/01/51/1069230151.db2.gz YDBAQRNKTOKNJQ-QGZVFWFLSA-N 1 2 485.658 3.871 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306563274 1069231772 /nfs/dbraw/zinc/23/17/72/1069231772.db2.gz QFYANPNMMIIZHG-NHCUHLMSSA-N 1 2 463.630 3.805 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306563276 1069231794 /nfs/dbraw/zinc/23/17/94/1069231794.db2.gz QFYANPNMMIIZHG-RTWAWAEBSA-N 1 2 463.630 3.805 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306571688 1069238907 /nfs/dbraw/zinc/23/89/07/1069238907.db2.gz LSCYYJJERKIIKR-VQTJNVASSA-N 1 2 481.645 3.581 20 0 JHADLO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004789826 527667601 /nfs/dbraw/zinc/66/76/01/527667601.db2.gz IJYMJHFIBVYNJC-UHFFFAOYSA-N 1 2 496.460 3.628 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164664497 719348432 /nfs/dbraw/zinc/34/84/32/719348432.db2.gz WAUPKTGECLRKLQ-UHFFFAOYSA-N 1 2 456.019 3.942 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164664497 719348435 /nfs/dbraw/zinc/34/84/35/719348435.db2.gz WAUPKTGECLRKLQ-UHFFFAOYSA-N 1 2 456.019 3.942 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164663131 719355957 /nfs/dbraw/zinc/35/59/57/719355957.db2.gz CJBSSTMMLHDURB-HXUWFJFHSA-N 1 2 495.027 3.992 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164663131 719355960 /nfs/dbraw/zinc/35/59/60/719355960.db2.gz CJBSSTMMLHDURB-HXUWFJFHSA-N 1 2 495.027 3.992 20 0 JHADLO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCn3c(CN4CCOCC4)nnc3C2)n1-c1ccccc1 ZINC001164680915 719586303 /nfs/dbraw/zinc/58/63/03/719586303.db2.gz SKXGGJOKGQEVNN-UHFFFAOYSA-N 1 2 492.587 3.531 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)cc1 ZINC001164696925 719830123 /nfs/dbraw/zinc/83/01/23/719830123.db2.gz MEWXFCUXBIZGJH-JOCHJYFZSA-N 1 2 455.921 3.767 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704912 719878030 /nfs/dbraw/zinc/87/80/30/719878030.db2.gz XFUDTESZBKTGAH-KOSHJBKYSA-N 1 2 474.989 3.717 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164825495 720368576 /nfs/dbraw/zinc/36/85/76/720368576.db2.gz PTJNVXKRWNZJMA-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164825495 720368580 /nfs/dbraw/zinc/36/85/80/720368580.db2.gz PTJNVXKRWNZJMA-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C5CCCCC5)[nH+]c(C)n4)CC3)C2=O)cs1 ZINC001164821127 720377614 /nfs/dbraw/zinc/37/76/14/720377614.db2.gz WTXJKTXWTCUPIO-UHFFFAOYSA-N 1 2 468.671 3.911 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819711 720378200 /nfs/dbraw/zinc/37/82/00/720378200.db2.gz GVPXGUZYMJUEOC-UHFFFAOYSA-N 1 2 463.051 3.506 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819711 720378206 /nfs/dbraw/zinc/37/82/06/720378206.db2.gz GVPXGUZYMJUEOC-UHFFFAOYSA-N 1 2 463.051 3.506 20 0 JHADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830592 720398876 /nfs/dbraw/zinc/39/88/76/720398876.db2.gz SNRMTUARSFAXDE-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccc(Cl)c3n1)C2 ZINC001164832168 720480084 /nfs/dbraw/zinc/48/00/84/720480084.db2.gz IWYHFFXTNRTFMV-MRXNPFEDSA-N 1 2 476.408 3.728 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@H]54)c3C2)cc1 ZINC001164845686 720771720 /nfs/dbraw/zinc/77/17/20/720771720.db2.gz GEIYVSQJPGPBFO-MVNQZMKCSA-N 1 2 471.605 3.773 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@H]54)c3C2)cc1 ZINC001164845686 720771728 /nfs/dbraw/zinc/77/17/28/720771728.db2.gz GEIYVSQJPGPBFO-MVNQZMKCSA-N 1 2 471.605 3.773 20 0 JHADLO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878158 721255347 /nfs/dbraw/zinc/25/53/47/721255347.db2.gz SSNGHQKARZMLMO-QCDSWUKFSA-N 1 2 497.643 3.983 20 0 JHADLO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878158 721255355 /nfs/dbraw/zinc/25/53/55/721255355.db2.gz SSNGHQKARZMLMO-QCDSWUKFSA-N 1 2 497.643 3.983 20 0 JHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770679 721277151 /nfs/dbraw/zinc/27/71/51/721277151.db2.gz WSRSRYMQDIOZOT-HNNXBMFYSA-N 1 2 478.887 3.679 20 0 JHADLO CN1Cc2ccccc2CC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)C1=O ZINC001164893388 721473142 /nfs/dbraw/zinc/47/31/42/721473142.db2.gz INNUEKLPIPPASH-UHFFFAOYSA-N 1 2 467.617 3.836 20 0 JHADLO CN1Cc2ccccc2CC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)C1=O ZINC001164893388 721473143 /nfs/dbraw/zinc/47/31/43/721473143.db2.gz INNUEKLPIPPASH-UHFFFAOYSA-N 1 2 467.617 3.836 20 0 JHADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914005 721796197 /nfs/dbraw/zinc/79/61/97/721796197.db2.gz JTDSTWRGIHOZDQ-RUZDIDTESA-N 1 2 465.985 3.608 20 0 JHADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914005 721796201 /nfs/dbraw/zinc/79/62/01/721796201.db2.gz JTDSTWRGIHOZDQ-RUZDIDTESA-N 1 2 465.985 3.608 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913717 721800456 /nfs/dbraw/zinc/80/04/56/721800456.db2.gz GJMSMULXTBBXSE-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913717 721800457 /nfs/dbraw/zinc/80/04/57/721800457.db2.gz GJMSMULXTBBXSE-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165035196 721875790 /nfs/dbraw/zinc/87/57/90/721875790.db2.gz TWDBHZPDCXAJRA-QGZVFWFLSA-N 1 2 499.662 3.664 20 0 JHADLO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165035188 721875847 /nfs/dbraw/zinc/87/58/47/721875847.db2.gz TWDBHZPDCXAJRA-KRWDZBQOSA-N 1 2 499.662 3.664 20 0 JHADLO CCCCCC(=O)NC1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001306636208 1069344754 /nfs/dbraw/zinc/34/47/54/1069344754.db2.gz XRICWEDDMBLLQW-VWLOTQADSA-N 1 2 482.673 3.634 20 0 JHADLO Cc1ccoc1C(=O)NCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311371880 1069348804 /nfs/dbraw/zinc/34/88/04/1069348804.db2.gz DLJTVXKMDCRQJC-GOSISDBHSA-N 1 2 450.942 3.637 20 0 JHADLO Cc1cnc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC001311378753 1069352424 /nfs/dbraw/zinc/35/24/24/1069352424.db2.gz RBELRAKIAONLTO-KRWDZBQOSA-N 1 2 454.575 3.873 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccnc1OCC(F)(F)F ZINC001311509427 1069415209 /nfs/dbraw/zinc/41/52/09/1069415209.db2.gz ORAGVWKANZTXFL-UHFFFAOYSA-N 1 2 451.493 3.866 20 0 JHADLO CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001306703988 1069439518 /nfs/dbraw/zinc/43/95/18/1069439518.db2.gz YCXBBDUADDBIOU-LJQANCHMSA-N 1 2 490.599 3.870 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001311593803 1069455673 /nfs/dbraw/zinc/45/56/73/1069455673.db2.gz KGHXKCZSFLLSEQ-RPLLCQBOSA-N 1 2 451.611 3.666 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001311593803 1069455679 /nfs/dbraw/zinc/45/56/79/1069455679.db2.gz KGHXKCZSFLLSEQ-RPLLCQBOSA-N 1 2 451.611 3.666 20 0 JHADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311598739 1069458633 /nfs/dbraw/zinc/45/86/33/1069458633.db2.gz UKCTWTZPEZEOHR-WMLDXEAASA-N 1 2 459.348 3.555 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306731414 1069485969 /nfs/dbraw/zinc/48/59/69/1069485969.db2.gz JNNNMFSETULMOH-SFTDATJTSA-N 1 2 478.645 3.536 20 0 JHADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306735839 1069501410 /nfs/dbraw/zinc/50/14/10/1069501410.db2.gz FNQPPEFAFPFRIJ-JOCHJYFZSA-N 1 2 467.662 3.968 20 0 JHADLO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)c1 ZINC001311686810 1069503379 /nfs/dbraw/zinc/50/33/79/1069503379.db2.gz AVZCVPCLBRGURH-UHFFFAOYSA-N 1 2 457.534 3.702 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311701072 1069510142 /nfs/dbraw/zinc/51/01/42/1069510142.db2.gz SEAWIGOFCBJPRP-OAQYLSRUSA-N 1 2 456.077 3.814 20 0 JHADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001311714176 1069515684 /nfs/dbraw/zinc/51/56/84/1069515684.db2.gz JUZVIHXYXTXLLT-NRFANRHFSA-N 1 2 459.537 3.765 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311727681 1069524030 /nfs/dbraw/zinc/52/40/30/1069524030.db2.gz RCXQSCRBPASJHO-UZFJHSOTSA-N 1 2 459.974 3.761 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311727681 1069524040 /nfs/dbraw/zinc/52/40/40/1069524040.db2.gz RCXQSCRBPASJHO-UZFJHSOTSA-N 1 2 459.974 3.761 20 0 JHADLO CCOc1c(OC)cc(Cn2c(C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1OC ZINC001314156991 1069630318 /nfs/dbraw/zinc/63/03/18/1069630318.db2.gz PFHKOQGBCLJUMK-UHFFFAOYSA-N 1 2 495.628 3.599 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306811385 1069631341 /nfs/dbraw/zinc/63/13/41/1069631341.db2.gz DEPSBYDBQIPWDP-LJQANCHMSA-N 1 2 470.568 3.679 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001306811385 1069631347 /nfs/dbraw/zinc/63/13/47/1069631347.db2.gz DEPSBYDBQIPWDP-LJQANCHMSA-N 1 2 470.568 3.679 20 0 JHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001311953633 1069632433 /nfs/dbraw/zinc/63/24/33/1069632433.db2.gz MIMXGBJFDJVJBB-WMZOPIPTSA-N 1 2 451.892 3.788 20 0 JHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001311953633 1069632437 /nfs/dbraw/zinc/63/24/37/1069632437.db2.gz MIMXGBJFDJVJBB-WMZOPIPTSA-N 1 2 451.892 3.788 20 0 JHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCn2nc(C(F)(F)F)cc2C1 ZINC001311955396 1069634679 /nfs/dbraw/zinc/63/46/79/1069634679.db2.gz UUGCCOUTSBMZLK-HNNXBMFYSA-N 1 2 459.875 3.884 20 0 JHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCn2nc(C(F)(F)F)cc2C1 ZINC001311955396 1069634683 /nfs/dbraw/zinc/63/46/83/1069634683.db2.gz UUGCCOUTSBMZLK-HNNXBMFYSA-N 1 2 459.875 3.884 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306815059 1069636370 /nfs/dbraw/zinc/63/63/70/1069636370.db2.gz UMNRIHZKFDECBV-UYAOXDASSA-N 1 2 463.573 3.588 20 0 JHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976173 1069646465 /nfs/dbraw/zinc/64/64/65/1069646465.db2.gz OLAWMMJGKXPDIL-XFWGSAIBSA-N 1 2 451.011 3.887 20 0 JHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976173 1069646473 /nfs/dbraw/zinc/64/64/73/1069646473.db2.gz OLAWMMJGKXPDIL-XFWGSAIBSA-N 1 2 451.011 3.887 20 0 JHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976171 1069646488 /nfs/dbraw/zinc/64/64/88/1069646488.db2.gz OLAWMMJGKXPDIL-TTYHFUOFSA-N 1 2 451.011 3.887 20 0 JHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976171 1069646494 /nfs/dbraw/zinc/64/64/94/1069646494.db2.gz OLAWMMJGKXPDIL-TTYHFUOFSA-N 1 2 451.011 3.887 20 0 JHADLO O=C(NC[C@H](Cc1ccccc1)c1ccccn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312048647 1069692641 /nfs/dbraw/zinc/69/26/41/1069692641.db2.gz QVLVNEXLFPKPTI-UIOOFZCWSA-N 1 2 458.606 3.651 20 0 JHADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001312041633 1069688255 /nfs/dbraw/zinc/68/82/55/1069688255.db2.gz RIOBQPGGCLDTHF-XMMPIXPASA-N 1 2 454.534 3.795 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC001312076823 1069709677 /nfs/dbraw/zinc/70/96/77/1069709677.db2.gz JUXSMZJZYFJTLB-VQTJNVASSA-N 1 2 451.958 3.852 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001312096622 1069719175 /nfs/dbraw/zinc/71/91/75/1069719175.db2.gz FZWLNITYCHPSDO-LJQANCHMSA-N 1 2 459.635 3.668 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314190617 1069750495 /nfs/dbraw/zinc/75/04/95/1069750495.db2.gz AOETWMAXXBZFRG-MXEMCNAFSA-N 1 2 489.686 3.868 20 0 JHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)[nH+]c12 ZINC001312156787 1069755337 /nfs/dbraw/zinc/75/53/37/1069755337.db2.gz HMKCBOQUEZVOAO-UXHICEINSA-N 1 2 455.603 3.864 20 0 JHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)[nH+]c12 ZINC001312156789 1069756117 /nfs/dbraw/zinc/75/61/17/1069756117.db2.gz HMKCBOQUEZVOAO-WOJBJXKFSA-N 1 2 455.603 3.864 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC2)c1 ZINC001312260248 1069817912 /nfs/dbraw/zinc/81/79/12/1069817912.db2.gz WAZLFKXPZBWEAQ-HNNXBMFYSA-N 1 2 453.370 3.864 20 0 JHADLO COc1ccc(OC)c2c1CN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C[C@@H]2O ZINC001312351982 1069880634 /nfs/dbraw/zinc/88/06/34/1069880634.db2.gz QWHHCBPPVNPENT-RTWAWAEBSA-N 1 2 450.539 3.517 20 0 JHADLO COc1ccc(OC)c2c1CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C[C@@H]2O ZINC001312351983 1069881119 /nfs/dbraw/zinc/88/11/19/1069881119.db2.gz QWHHCBPPVNPENT-SFTDATJTSA-N 1 2 450.539 3.517 20 0 JHADLO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001312391347 1069904248 /nfs/dbraw/zinc/90/42/48/1069904248.db2.gz IAORHMDDNJSJHU-MOPGFXCFSA-N 1 2 458.411 3.681 20 0 JHADLO CC1(C)C[C@H](CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCOCC2)C(C)(C)O1 ZINC001307293775 1069930174 /nfs/dbraw/zinc/93/01/74/1069930174.db2.gz SQLUVKMJCXGXRU-MRXNPFEDSA-N 1 2 451.658 3.866 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001312427127 1069929680 /nfs/dbraw/zinc/92/96/80/1069929680.db2.gz UUUSMFOHCGWHSR-NFBKMPQASA-N 1 2 458.990 3.575 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001312427127 1069929702 /nfs/dbraw/zinc/92/97/02/1069929702.db2.gz UUUSMFOHCGWHSR-NFBKMPQASA-N 1 2 458.990 3.575 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312427977 1069931200 /nfs/dbraw/zinc/93/12/00/1069931200.db2.gz ZYFAQCCOUNWMLN-DHIUTWEWSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312427977 1069931211 /nfs/dbraw/zinc/93/12/11/1069931211.db2.gz ZYFAQCCOUNWMLN-DHIUTWEWSA-N 1 2 453.974 3.943 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2c(c1)CCCC2 ZINC001312459400 1069952244 /nfs/dbraw/zinc/95/22/44/1069952244.db2.gz DBAZDUVTVLYRBX-CVDCTZTESA-N 1 2 456.631 3.963 20 0 JHADLO COc1cc(NC(=O)C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(OC)cc1Cl ZINC001307464769 1070000847 /nfs/dbraw/zinc/00/08/47/1070000847.db2.gz JNRDTOQZCGRPDY-AWEZNQCLSA-N 1 2 455.983 3.921 20 0 JHADLO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1(C)C ZINC001314260454 1070000842 /nfs/dbraw/zinc/00/08/42/1070000842.db2.gz YOWZQPXTQFUSFA-LEWJYISDSA-N 1 2 466.634 3.608 20 0 JHADLO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001307472287 1070004510 /nfs/dbraw/zinc/00/45/10/1070004510.db2.gz LILLYZZVMAASRD-HXUWFJFHSA-N 1 2 455.558 3.764 20 0 JHADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC001307495669 1070017348 /nfs/dbraw/zinc/01/73/48/1070017348.db2.gz PPAQNBXZDPSSCY-NRFANRHFSA-N 1 2 456.030 3.883 20 0 JHADLO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307513477 1070028037 /nfs/dbraw/zinc/02/80/37/1070028037.db2.gz KRQDBUJGSQQIGG-UIFIKXQLSA-N 1 2 456.587 3.614 20 0 JHADLO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307513477 1070028052 /nfs/dbraw/zinc/02/80/52/1070028052.db2.gz KRQDBUJGSQQIGG-UIFIKXQLSA-N 1 2 456.587 3.614 20 0 JHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001307524367 1070034133 /nfs/dbraw/zinc/03/41/33/1070034133.db2.gz WALAHPOMKHWDEJ-AWEZNQCLSA-N 1 2 458.340 3.674 20 0 JHADLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001307524367 1070034142 /nfs/dbraw/zinc/03/41/42/1070034142.db2.gz WALAHPOMKHWDEJ-AWEZNQCLSA-N 1 2 458.340 3.674 20 0 JHADLO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)n(-c2ccc(F)cc2)n1 ZINC001307554847 1070049066 /nfs/dbraw/zinc/04/90/66/1070049066.db2.gz HFISOJJWWKMONF-UHFFFAOYSA-N 1 2 453.493 3.748 20 0 JHADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC001307566167 1070054874 /nfs/dbraw/zinc/05/48/74/1070054874.db2.gz KTUPGTVCLLWAHG-INIZCTEOSA-N 1 2 455.584 3.607 20 0 JHADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC001307566167 1070054887 /nfs/dbraw/zinc/05/48/87/1070054887.db2.gz KTUPGTVCLLWAHG-INIZCTEOSA-N 1 2 455.584 3.607 20 0 JHADLO CCOCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314289700 1070068463 /nfs/dbraw/zinc/06/84/63/1070068463.db2.gz KLBPQDIFJRQQGM-UHFFFAOYSA-N 1 2 479.629 3.653 20 0 JHADLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC001307597539 1070072857 /nfs/dbraw/zinc/07/28/57/1070072857.db2.gz OHOAYVLSYOFTBQ-CYBMUJFWSA-N 1 2 454.888 3.887 20 0 JHADLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC001307597539 1070072877 /nfs/dbraw/zinc/07/28/77/1070072877.db2.gz OHOAYVLSYOFTBQ-CYBMUJFWSA-N 1 2 454.888 3.887 20 0 JHADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)n2)cc(OC)c1OC ZINC001307641081 1070097231 /nfs/dbraw/zinc/09/72/31/1070097231.db2.gz CTUHNPMSGGNVQM-OAHLLOKOSA-N 1 2 452.511 3.740 20 0 JHADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312753878 1070104391 /nfs/dbraw/zinc/10/43/91/1070104391.db2.gz QKPCHRGVZPMSOS-HOCLYGCPSA-N 1 2 456.812 3.639 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC/C=C/c3ccc(Br)cc3)C2)cc1 ZINC001312755687 1070105982 /nfs/dbraw/zinc/10/59/82/1070105982.db2.gz RTWHORWIMIXSQE-UHQIAATHSA-N 1 2 458.400 3.971 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC/C=C/c3ccc(Br)cc3)C2)cc1 ZINC001312755687 1070105985 /nfs/dbraw/zinc/10/59/85/1070105985.db2.gz RTWHORWIMIXSQE-UHQIAATHSA-N 1 2 458.400 3.971 20 0 JHADLO Cc1ccc(C(=O)NC2CCN(C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2)s1 ZINC001312765583 1070111519 /nfs/dbraw/zinc/11/15/19/1070111519.db2.gz LAQJAWKSISTHMR-UHFFFAOYSA-N 1 2 457.987 4.000 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677319 1070119672 /nfs/dbraw/zinc/11/96/72/1070119672.db2.gz NVVQCRJSANPPNI-CJNGLKHVSA-N 1 2 457.497 3.570 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677319 1070119677 /nfs/dbraw/zinc/11/96/77/1070119677.db2.gz NVVQCRJSANPPNI-CJNGLKHVSA-N 1 2 457.497 3.570 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001314329044 1070120138 /nfs/dbraw/zinc/12/01/38/1070120138.db2.gz UQXIROGACCOFLK-OAQYLSRUSA-N 1 2 497.688 3.625 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3cc(Br)ccc3F)C2)c1 ZINC001312788466 1070121697 /nfs/dbraw/zinc/12/16/97/1070121697.db2.gz RQKDQHFJXIMEFX-LJQANCHMSA-N 1 2 450.352 3.597 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3cc(Br)ccc3F)C2)c1 ZINC001312788466 1070121705 /nfs/dbraw/zinc/12/17/05/1070121705.db2.gz RQKDQHFJXIMEFX-LJQANCHMSA-N 1 2 450.352 3.597 20 0 JHADLO CCc1nnc(CNC(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)s1 ZINC001312800110 1070129979 /nfs/dbraw/zinc/12/99/79/1070129979.db2.gz FDHHBRVJGLGESW-UHFFFAOYSA-N 1 2 451.596 3.707 20 0 JHADLO CC(C)CCc1nc(C[N@@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cs1 ZINC001307699091 1070134294 /nfs/dbraw/zinc/13/42/94/1070134294.db2.gz TZELFANFFZBJKH-LJQANCHMSA-N 1 2 450.649 3.775 20 0 JHADLO CC(C)CCc1nc(C[N@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cs1 ZINC001307699091 1070134302 /nfs/dbraw/zinc/13/43/02/1070134302.db2.gz TZELFANFFZBJKH-LJQANCHMSA-N 1 2 450.649 3.775 20 0 JHADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc12 ZINC001312870281 1070160884 /nfs/dbraw/zinc/16/08/84/1070160884.db2.gz WBWHSIQQNZWTCC-NRFANRHFSA-N 1 2 452.599 3.985 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748665 1070164880 /nfs/dbraw/zinc/16/48/80/1070164880.db2.gz IGEOVTLNLABVET-RTWAWAEBSA-N 1 2 453.539 3.787 20 0 JHADLO O=C(C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748665 1070164887 /nfs/dbraw/zinc/16/48/87/1070164887.db2.gz IGEOVTLNLABVET-RTWAWAEBSA-N 1 2 453.539 3.787 20 0 JHADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(O)(C(N)=O)CC3)n2)cc1 ZINC001307760562 1070171770 /nfs/dbraw/zinc/17/17/70/1070171770.db2.gz BTMURQFXRMHZCN-QGZVFWFLSA-N 1 2 458.628 3.572 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773160 1070177666 /nfs/dbraw/zinc/17/76/66/1070177666.db2.gz LROYTQWVRXUXLU-IRXDYDNUSA-N 1 2 451.637 3.644 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773160 1070177668 /nfs/dbraw/zinc/17/76/68/1070177668.db2.gz LROYTQWVRXUXLU-IRXDYDNUSA-N 1 2 451.637 3.644 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314360448 1070183793 /nfs/dbraw/zinc/18/37/93/1070183793.db2.gz LPQNXJZSBOLROL-HXUWFJFHSA-N 1 2 466.561 3.562 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804480 1070190334 /nfs/dbraw/zinc/19/03/34/1070190334.db2.gz IZPQAAHPGUXSFP-BYGVMDBSSA-N 1 2 450.554 3.995 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804480 1070190344 /nfs/dbraw/zinc/19/03/44/1070190344.db2.gz IZPQAAHPGUXSFP-BYGVMDBSSA-N 1 2 450.554 3.995 20 0 JHADLO CCOC(=O)C1=C(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)NC(=O)N[C@H]1c1ccco1 ZINC001307833595 1070204880 /nfs/dbraw/zinc/20/48/80/1070204880.db2.gz CAGWDOHNHVLFKH-QFIPXVFZSA-N 1 2 459.493 3.684 20 0 JHADLO CCOC(=O)c1csc(C[NH+]2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)n1 ZINC001307839594 1070207464 /nfs/dbraw/zinc/20/74/64/1070207464.db2.gz IGTYVDQSVMRCBE-WMZOPIPTSA-N 1 2 453.605 3.604 20 0 JHADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2cc(Cl)ccc2I)C1 ZINC001312990169 1070213193 /nfs/dbraw/zinc/21/31/93/1070213193.db2.gz MZHAOPOUPKPKJW-GFCCVEGCSA-N 1 2 458.731 3.767 20 0 JHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001307862063 1070214924 /nfs/dbraw/zinc/21/49/24/1070214924.db2.gz WADFQKAHDDXFJI-ZCNNSNEGSA-N 1 2 462.340 3.560 20 0 JHADLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001307862063 1070214936 /nfs/dbraw/zinc/21/49/36/1070214936.db2.gz WADFQKAHDDXFJI-ZCNNSNEGSA-N 1 2 462.340 3.560 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001313068276 1070239781 /nfs/dbraw/zinc/23/97/81/1070239781.db2.gz VZNLEMCIBLFYGT-GIVPXCGWSA-N 1 2 455.603 3.896 20 0 JHADLO CCOCc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1Cc1c[nH+]ccc1OC ZINC001314403808 1070266535 /nfs/dbraw/zinc/26/65/35/1070266535.db2.gz WTUVBBNDGUZFDL-FQEVSTJZSA-N 1 2 488.386 3.607 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168248 1070277714 /nfs/dbraw/zinc/27/77/14/1070277714.db2.gz OKDGAPNESFAMCH-SFTDATJTSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168248 1070277727 /nfs/dbraw/zinc/27/77/27/1070277727.db2.gz OKDGAPNESFAMCH-SFTDATJTSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)C2)c1 ZINC001313164289 1070275436 /nfs/dbraw/zinc/27/54/36/1070275436.db2.gz OKKNTQYBVVMPIA-RPBOFIJWSA-N 1 2 455.574 3.726 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)C2)c1 ZINC001313164289 1070275445 /nfs/dbraw/zinc/27/54/45/1070275445.db2.gz OKKNTQYBVVMPIA-RPBOFIJWSA-N 1 2 455.574 3.726 20 0 JHADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001313338780 1070331227 /nfs/dbraw/zinc/33/12/27/1070331227.db2.gz KTAMHBHLZNVNFR-ZDUSSCGKSA-N 1 2 451.192 3.762 20 0 JHADLO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001308254662 1070346005 /nfs/dbraw/zinc/34/60/05/1070346005.db2.gz PFBVZMPVQKTALN-UHFFFAOYSA-N 1 2 452.374 3.708 20 0 JHADLO CCOCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314452410 1070351113 /nfs/dbraw/zinc/35/11/13/1070351113.db2.gz RMQGMOMXOKNMHY-UHFFFAOYSA-N 1 2 473.984 3.979 20 0 JHADLO Cc1cc(Br)cn2c(CNc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)c[nH+]c12 ZINC001308317600 1070355515 /nfs/dbraw/zinc/35/55/15/1070355515.db2.gz ZJMJPRIQGMUQPZ-INIZCTEOSA-N 1 2 457.372 3.862 20 0 JHADLO CCOc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1O[C@H](C)C(=O)N(C)C ZINC001308392493 1070367278 /nfs/dbraw/zinc/36/72/78/1070367278.db2.gz PRXVRJJNUGPUID-CEXWTWQISA-N 1 2 456.587 3.562 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)cc1 ZINC001308562552 1070390073 /nfs/dbraw/zinc/39/00/73/1070390073.db2.gz FOWPTNKYFVSQLN-MRXNPFEDSA-N 1 2 453.402 3.654 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)cc1 ZINC001308562552 1070390091 /nfs/dbraw/zinc/39/00/91/1070390091.db2.gz FOWPTNKYFVSQLN-MRXNPFEDSA-N 1 2 453.402 3.654 20 0 JHADLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1Br ZINC001308621372 1070403497 /nfs/dbraw/zinc/40/34/97/1070403497.db2.gz JOAJZVPJRZKOAR-UHFFFAOYSA-N 1 2 452.146 3.940 20 0 JHADLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1Br ZINC001308621372 1070403499 /nfs/dbraw/zinc/40/34/99/1070403499.db2.gz JOAJZVPJRZKOAR-UHFFFAOYSA-N 1 2 452.146 3.940 20 0 JHADLO COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308631324 1070407521 /nfs/dbraw/zinc/40/75/21/1070407521.db2.gz CJIYJCOMLFTVHG-ZWKOTPCHSA-N 1 2 450.576 3.714 20 0 JHADLO COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308631324 1070407530 /nfs/dbraw/zinc/40/75/30/1070407530.db2.gz CJIYJCOMLFTVHG-ZWKOTPCHSA-N 1 2 450.576 3.714 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001313461264 1070415015 /nfs/dbraw/zinc/41/50/15/1070415015.db2.gz IIYUNFAKWQOOSR-LAUBAEHRSA-N 1 2 485.583 3.597 20 0 JHADLO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001308694509 1070420194 /nfs/dbraw/zinc/42/01/94/1070420194.db2.gz DWRGUAOFAOVLQK-UHFFFAOYSA-N 1 2 450.381 3.909 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842108 1070446680 /nfs/dbraw/zinc/44/66/80/1070446680.db2.gz PXNPYVFAWMQAJP-HZMVEIRTSA-N 1 2 453.605 3.918 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842108 1070446687 /nfs/dbraw/zinc/44/66/87/1070446687.db2.gz PXNPYVFAWMQAJP-HZMVEIRTSA-N 1 2 453.605 3.918 20 0 JHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001308922056 1070459686 /nfs/dbraw/zinc/45/96/86/1070459686.db2.gz IGSLKQPWYPYESK-MRXNPFEDSA-N 1 2 450.004 3.851 20 0 JHADLO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)c(Br)cc1F ZINC001308992906 1070472480 /nfs/dbraw/zinc/47/24/80/1070472480.db2.gz KCJNSSOMVNQIIP-CQSZACIVSA-N 1 2 451.745 3.950 20 0 JHADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)c1ccccc1Cl ZINC001309014852 1070485465 /nfs/dbraw/zinc/48/54/65/1070485465.db2.gz ZIXYZMDVHRXCDD-FFXXTYGZSA-N 1 2 450.988 3.888 20 0 JHADLO Cc1cc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)sc1Br ZINC001309021088 1070488351 /nfs/dbraw/zinc/48/83/51/1070488351.db2.gz OHOHNJHECZGGSJ-UHFFFAOYSA-N 1 2 459.435 3.552 20 0 JHADLO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001309027294 1070493596 /nfs/dbraw/zinc/49/35/96/1070493596.db2.gz XIXCYSNSEQTYGK-UHFFFAOYSA-N 1 2 458.550 3.996 20 0 JHADLO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001309027294 1070493599 /nfs/dbraw/zinc/49/35/99/1070493599.db2.gz XIXCYSNSEQTYGK-UHFFFAOYSA-N 1 2 458.550 3.996 20 0 JHADLO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314521599 1070508383 /nfs/dbraw/zinc/50/83/83/1070508383.db2.gz XDEUQQWBNMEXGL-UHFFFAOYSA-N 1 2 484.670 3.623 20 0 JHADLO CC(C)c1ccc([C@H](CNS(=O)(=O)CCn2cc[nH+]c2)N2CCc3sccc3C2)cc1 ZINC001309067640 1070520300 /nfs/dbraw/zinc/52/03/00/1070520300.db2.gz UADVNELCVUIDTF-QFIPXVFZSA-N 1 2 458.653 3.787 20 0 JHADLO O=S(=O)(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1onc(C2CC2)c1Cl ZINC001309282762 1070667615 /nfs/dbraw/zinc/66/76/15/1070667615.db2.gz JITSCYTYKGMULK-UHFFFAOYSA-N 1 2 453.992 3.555 20 0 JHADLO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC001313607100 1070730782 /nfs/dbraw/zinc/73/07/82/1070730782.db2.gz OCZDPASRXVYCEC-QGZVFWFLSA-N 1 2 470.572 3.883 20 0 JHADLO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC001313607100 1070730794 /nfs/dbraw/zinc/73/07/94/1070730794.db2.gz OCZDPASRXVYCEC-QGZVFWFLSA-N 1 2 470.572 3.883 20 0 JHADLO O=S(=O)(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1=Cc2cc(Cl)ccc2OC1 ZINC001309394737 1070744087 /nfs/dbraw/zinc/74/40/87/1070744087.db2.gz OWDDXXBRRPCMPY-LJQANCHMSA-N 1 2 451.013 3.610 20 0 JHADLO O=S(=O)(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1=Cc2cc(Cl)ccc2OC1 ZINC001309394737 1070744102 /nfs/dbraw/zinc/74/41/02/1070744102.db2.gz OWDDXXBRRPCMPY-LJQANCHMSA-N 1 2 451.013 3.610 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1c(F)cccc1F ZINC001314654699 1070769730 /nfs/dbraw/zinc/76/97/30/1070769730.db2.gz VVJFKWKFVRPGPE-IAGOWNOFSA-N 1 2 489.489 3.604 20 0 JHADLO CCN(CC)C(=O)c1ccc(Cn2c(C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001313635458 1070770381 /nfs/dbraw/zinc/77/03/81/1070770381.db2.gz NMCBPTPMWCKZKM-UHFFFAOYSA-N 1 2 490.656 3.665 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCc2nccs2)c[nH+]1 ZINC001314659673 1070782224 /nfs/dbraw/zinc/78/22/24/1070782224.db2.gz AIKGDAGGCFAOIL-UHFFFAOYSA-N 1 2 469.565 3.792 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC2COC(C)(C)OC2)c[nH+]1 ZINC001314661727 1070787268 /nfs/dbraw/zinc/78/72/68/1070787268.db2.gz YAPGAMSJWFSEQH-UHFFFAOYSA-N 1 2 471.005 3.943 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CC(C)(C)C)n1CC(F)(F)Br)C2 ZINC001314664180 1070793476 /nfs/dbraw/zinc/79/34/76/1070793476.db2.gz NCCDTCJMPMIFOK-UHFFFAOYSA-N 1 2 457.367 3.878 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@H]3CCCCO3)n1CCCCNC(=O)OC(C)(C)C)C2 ZINC001314663984 1070793656 /nfs/dbraw/zinc/79/36/56/1070793656.db2.gz JRACHELUPOSYGZ-OAQYLSRUSA-N 1 2 499.660 3.848 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(OC)CCC2)CC1 ZINC001313648725 1070817674 /nfs/dbraw/zinc/81/76/74/1070817674.db2.gz WGAKLTLTUIQBFU-UHFFFAOYSA-N 1 2 489.064 3.548 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001313648675 1070818206 /nfs/dbraw/zinc/81/82/06/1070818206.db2.gz USCMNURXUNJVBV-NRFANRHFSA-N 1 2 493.681 3.511 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F ZINC001314712555 1070898265 /nfs/dbraw/zinc/89/82/65/1070898265.db2.gz QSRMDNGSBMQLSJ-HZPDHXFCSA-N 1 2 491.605 3.606 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(F)cc2F)c[nH+]1 ZINC001313672844 1070904658 /nfs/dbraw/zinc/90/46/58/1070904658.db2.gz BLEUDOYEORFKNB-UHFFFAOYSA-N 1 2 483.567 3.718 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001313673254 1070906472 /nfs/dbraw/zinc/90/64/72/1070906472.db2.gz KPRSTYVYLNTYRM-MOPGFXCFSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(F)(F)F)CC2)c[nH+]1 ZINC001313673305 1070907188 /nfs/dbraw/zinc/90/71/88/1070907188.db2.gz DSDVCSIWTIHZBR-UHFFFAOYSA-N 1 2 477.535 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(F)(F)F)CC2)c[nH+]1 ZINC001313677747 1070926926 /nfs/dbraw/zinc/92/69/26/1070926926.db2.gz XKYZBJVWJDLOOU-UHFFFAOYSA-N 1 2 462.524 3.747 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2C)c[nH+]1 ZINC001313678403 1070929317 /nfs/dbraw/zinc/92/93/17/1070929317.db2.gz DABIPZOEUKNBGO-UHFFFAOYSA-N 1 2 476.604 3.976 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CC[C@@H](Cc4cnn(C)c4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678648 1070931028 /nfs/dbraw/zinc/93/10/28/1070931028.db2.gz IXBHFZKHEPYYNH-IBGZPJMESA-N 1 2 450.635 3.668 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)c[nH+]1 ZINC001313678803 1070931574 /nfs/dbraw/zinc/93/15/74/1070931574.db2.gz JDMZDWDKKHGLIS-UHFFFAOYSA-N 1 2 467.662 3.747 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313680919 1070939725 /nfs/dbraw/zinc/93/97/25/1070939725.db2.gz YHKZIHJXFJUXGE-KDURUIRLSA-N 1 2 452.578 3.911 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001313681669 1070941045 /nfs/dbraw/zinc/94/10/45/1070941045.db2.gz VGFOYMZKNKCZHN-NRFANRHFSA-N 1 2 467.662 3.966 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001313697863 1070969059 /nfs/dbraw/zinc/96/90/59/1070969059.db2.gz UIFPPKKNOFWNDP-FPOVZHCZSA-N 1 2 499.660 3.865 20 0 JHADLO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313698197 1070969430 /nfs/dbraw/zinc/96/94/30/1070969430.db2.gz ZMJRCAYOISBSFL-XPWALMASSA-N 1 2 498.672 3.969 20 0 JHADLO CN(Cc1cnccn1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001314765840 1071027655 /nfs/dbraw/zinc/02/76/55/1071027655.db2.gz ZGOFHRKDMAHFDH-TZIWHRDSSA-N 1 2 450.591 3.520 20 0 JHADLO CN(CC1CCCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314794370 1071072283 /nfs/dbraw/zinc/07/22/83/1071072283.db2.gz KYDBGSAOSDGIQI-OAQYLSRUSA-N 1 2 471.627 3.871 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313756091 1071098199 /nfs/dbraw/zinc/09/81/99/1071098199.db2.gz LHONIHXRCLAXKT-GOSISDBHSA-N 1 2 490.077 3.705 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)(C)C)n1CCCNC(=O)C(C)C ZINC001313778189 1071138617 /nfs/dbraw/zinc/13/86/17/1071138617.db2.gz FTDRMLUSAUOUHR-UHFFFAOYSA-N 1 2 469.678 3.876 20 0 JHADLO CN(CCC(F)(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001314822720 1071142110 /nfs/dbraw/zinc/14/21/10/1071142110.db2.gz RWLVGMCABRNHED-UHFFFAOYSA-N 1 2 492.527 3.628 20 0 JHADLO CCN(C[C@@H]1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313787227 1071167518 /nfs/dbraw/zinc/16/75/18/1071167518.db2.gz MSFJHIHWUOKDFR-GMAHTHKFSA-N 1 2 494.606 3.679 20 0 JHADLO CN(CCCn1c(-c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC001314848113 1071207323 /nfs/dbraw/zinc/20/73/23/1071207323.db2.gz GZQMIPALQFOPIG-UHFFFAOYSA-N 1 2 459.520 3.551 20 0 JHADLO CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC=C(C)C1)CCC(F)(F)F ZINC001313803283 1071210378 /nfs/dbraw/zinc/21/03/78/1071210378.db2.gz OAGFRBSYOLXEKW-UHFFFAOYSA-N 1 2 485.576 3.779 20 0 JHADLO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC=C(C)C1)CCC(F)(F)F ZINC001313803283 1071210387 /nfs/dbraw/zinc/21/03/87/1071210387.db2.gz OAGFRBSYOLXEKW-UHFFFAOYSA-N 1 2 485.576 3.779 20 0 JHADLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCc2sccc2C1 ZINC001314852753 1071227933 /nfs/dbraw/zinc/22/79/33/1071227933.db2.gz NUOSQOLEBZGUIL-UHFFFAOYSA-N 1 2 494.086 3.589 20 0 JHADLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCc2sccc2C1 ZINC001314852753 1071227945 /nfs/dbraw/zinc/22/79/45/1071227945.db2.gz NUOSQOLEBZGUIL-UHFFFAOYSA-N 1 2 494.086 3.589 20 0 JHADLO CCN(CCn1c(C2CCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)C(=O)OC(C)(C)C ZINC001313815135 1071260691 /nfs/dbraw/zinc/26/06/91/1071260691.db2.gz NJNSSWWRRJEFOG-UHFFFAOYSA-N 1 2 469.634 3.826 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccccc1 ZINC001314869760 1071279422 /nfs/dbraw/zinc/27/94/22/1071279422.db2.gz GDDXMHHYCHDROW-UHFFFAOYSA-N 1 2 491.459 3.596 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC=CO1 ZINC001314870391 1071281135 /nfs/dbraw/zinc/28/11/35/1071281135.db2.gz QVPKOWQLLGSEKK-KRWDZBQOSA-N 1 2 452.386 3.713 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC1(C)C ZINC001314874168 1071291622 /nfs/dbraw/zinc/29/16/22/1071291622.db2.gz OMRXCQBVNIJQDP-OAQYLSRUSA-N 1 2 455.647 3.969 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001310313977 1071295263 /nfs/dbraw/zinc/29/52/63/1071295263.db2.gz JYNMDCWMMOFODS-KRWDZBQOSA-N 1 2 453.914 3.611 20 0 JHADLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366400 1071343162 /nfs/dbraw/zinc/34/31/62/1071343162.db2.gz NNDTXSDOSAPXSS-LEWJYISDSA-N 1 2 458.946 3.798 20 0 JHADLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366400 1071343175 /nfs/dbraw/zinc/34/31/75/1071343175.db2.gz NNDTXSDOSAPXSS-LEWJYISDSA-N 1 2 458.946 3.798 20 0 JHADLO Cc1c(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cccc1N1CCOC1=O ZINC001310366013 1071342352 /nfs/dbraw/zinc/34/23/52/1071342352.db2.gz CVYAMXQAXKAYLA-LJQANCHMSA-N 1 2 452.555 3.706 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCc1cccc(C)[nH+]1 ZINC001314946544 1071405606 /nfs/dbraw/zinc/40/56/06/1071405606.db2.gz TVIMYNJPGLRTJO-GOSISDBHSA-N 1 2 457.582 3.648 20 0 JHADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@H](C)CO1 ZINC001310466544 1071408849 /nfs/dbraw/zinc/40/88/49/1071408849.db2.gz MTLSCXVFQRJVHO-ZIAGYGMSSA-N 1 2 453.406 3.727 20 0 JHADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@H](C)CO1 ZINC001310466544 1071408857 /nfs/dbraw/zinc/40/88/57/1071408857.db2.gz MTLSCXVFQRJVHO-ZIAGYGMSSA-N 1 2 453.406 3.727 20 0 JHADLO C[N@@H+]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001310487231 1071426841 /nfs/dbraw/zinc/42/68/41/1071426841.db2.gz YZHQNCXXDZRWMG-NRFANRHFSA-N 1 2 454.571 3.938 20 0 JHADLO C[N@H+]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001310487231 1071426845 /nfs/dbraw/zinc/42/68/45/1071426845.db2.gz YZHQNCXXDZRWMG-NRFANRHFSA-N 1 2 454.571 3.938 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314954931 1071428587 /nfs/dbraw/zinc/42/85/87/1071428587.db2.gz YHFHBWKBXWMXPX-IBGZPJMESA-N 1 2 479.604 3.582 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314954928 1071428612 /nfs/dbraw/zinc/42/86/12/1071428612.db2.gz YEWCLKVOEZWQLM-HXUWFJFHSA-N 1 2 491.640 3.596 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313926183 1071575422 /nfs/dbraw/zinc/57/54/22/1071575422.db2.gz AZXHDZPBHZQLAF-DHIUTWEWSA-N 1 2 486.730 3.832 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929017 1071586019 /nfs/dbraw/zinc/58/60/19/1071586019.db2.gz XAIPLJUMMZUDJJ-HSZRJFAPSA-N 1 2 452.647 3.656 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001313930416 1071587923 /nfs/dbraw/zinc/58/79/23/1071587923.db2.gz BZCGKJWCZSPPLB-OAHLLOKOSA-N 1 2 486.469 3.750 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001313930416 1071587926 /nfs/dbraw/zinc/58/79/26/1071587926.db2.gz BZCGKJWCZSPPLB-OAHLLOKOSA-N 1 2 486.469 3.750 20 0 JHADLO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001313968701 1071692511 /nfs/dbraw/zinc/69/25/11/1071692511.db2.gz AWXRONCXPPHUAJ-IBGZPJMESA-N 1 2 490.718 3.600 20 0 JHADLO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001313996771 1071733595 /nfs/dbraw/zinc/73/35/95/1071733595.db2.gz YIWILCWSEPBZDN-FQEVSTJZSA-N 1 2 495.603 3.745 20 0 JHADLO CCNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001313998021 1071734812 /nfs/dbraw/zinc/73/48/12/1071734812.db2.gz DIDRLZSIQWVEQX-UHFFFAOYSA-N 1 2 482.677 3.542 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001314020357 1071771233 /nfs/dbraw/zinc/77/12/33/1071771233.db2.gz YFNIHVSFYNTTFW-UHFFFAOYSA-N 1 2 494.596 3.577 20 0 JHADLO CCO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC001314063254 1071903850 /nfs/dbraw/zinc/90/38/50/1071903850.db2.gz IIKQWVPLWPFKST-QFIPXVFZSA-N 1 2 495.676 3.678 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)CC(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOC1 ZINC001314087640 1071961386 /nfs/dbraw/zinc/96/13/86/1071961386.db2.gz XOWLERFLRSPTJK-YDHSSHFGSA-N 1 2 465.639 3.697 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)CC(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOC1 ZINC001314087640 1071961391 /nfs/dbraw/zinc/96/13/91/1071961391.db2.gz XOWLERFLRSPTJK-YDHSSHFGSA-N 1 2 465.639 3.697 20 0 JHADLO CCO[C@@]1(c2nnc(N3CC[C@](C)(CC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314105101 1071993690 /nfs/dbraw/zinc/99/36/90/1071993690.db2.gz ALYYSVOIDRJTMK-DQEYMECFSA-N 1 2 456.635 3.846 20 0 JHADLO CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)s1 ZINC001305962460 1068294657 /nfs/dbraw/zinc/29/46/57/1068294657.db2.gz RJFSMOJRCORJJT-RBUKOAKNSA-N 1 2 458.676 3.597 20 0 JHADLO CCc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305972834 1068307754 /nfs/dbraw/zinc/30/77/54/1068307754.db2.gz ZBGRTVQUZNLIPE-DHIUTWEWSA-N 1 2 455.647 3.576 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001306005099 1068382224 /nfs/dbraw/zinc/38/22/24/1068382224.db2.gz GJAMATLLSJMDEA-HKUYNNGSSA-N 1 2 469.659 3.509 20 0 JHADLO CCc1nc(C)c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)CC[NH+]2CCOCC2)o1 ZINC001306013943 1068397089 /nfs/dbraw/zinc/39/70/89/1068397089.db2.gz DUBCVYXTJAYXGQ-UHFFFAOYSA-N 1 2 496.656 3.830 20 0 JHADLO CCc1nc(Cn2c(CC)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)cs1 ZINC001306038345 1068447741 /nfs/dbraw/zinc/44/77/41/1068447741.db2.gz AHYCIMJHYAFSEU-UHFFFAOYSA-N 1 2 461.035 3.762 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306046692 1068469250 /nfs/dbraw/zinc/46/92/50/1068469250.db2.gz NWYZITCLSRPWIN-UHFFFAOYSA-N 1 2 464.662 3.797 20 0 JHADLO CCc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306070493 1068505749 /nfs/dbraw/zinc/50/57/49/1068505749.db2.gz CZPUZQNMCMQUGK-UHFFFAOYSA-N 1 2 461.614 3.966 20 0 JHADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCc1cc(C)ccc1OC ZINC001306077258 1068509414 /nfs/dbraw/zinc/50/94/14/1068509414.db2.gz XVHBWEFWEPXURE-OAQYLSRUSA-N 1 2 469.655 3.971 20 0 JHADLO CCc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001306108028 1068521091 /nfs/dbraw/zinc/52/10/91/1068521091.db2.gz FTWSGXFODLWKTB-AEFFLSMTSA-N 1 2 452.525 3.676 20 0 JHADLO CCc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306170078 1068564970 /nfs/dbraw/zinc/56/49/70/1068564970.db2.gz UTMPLBOIFNORGB-LJQANCHMSA-N 1 2 453.566 3.712 20 0 JHADLO CCc1nnc(N[C@@H](C)[C@H](OC)c2ccccc2Cl)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306228018 1068612540 /nfs/dbraw/zinc/61/25/40/1068612540.db2.gz OKCPANYSNRYQMX-JTSKRJEESA-N 1 2 471.005 3.962 20 0 JHADLO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001306256987 1068664049 /nfs/dbraw/zinc/66/40/49/1068664049.db2.gz KCLMINWDBLKUAJ-HSZRJFAPSA-N 1 2 462.598 3.525 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001306334386 1068771718 /nfs/dbraw/zinc/77/17/18/1068771718.db2.gz BVHYCLZJRYGVDP-YPAWHYETSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001306334386 1068771725 /nfs/dbraw/zinc/77/17/25/1068771725.db2.gz BVHYCLZJRYGVDP-YPAWHYETSA-N 1 2 490.693 3.740 20 0 JHADLO CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001306383806 1068816287 /nfs/dbraw/zinc/81/62/87/1068816287.db2.gz URBRMPOLZRSVLT-JOCHJYFZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001306383806 1068816303 /nfs/dbraw/zinc/81/63/03/1068816303.db2.gz URBRMPOLZRSVLT-JOCHJYFZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001306395327 1068839129 /nfs/dbraw/zinc/83/91/29/1068839129.db2.gz ADCJBLNNMKTIMR-IBGZPJMESA-N 1 2 473.419 3.998 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306399690 1068855810 /nfs/dbraw/zinc/85/58/10/1068855810.db2.gz CYNXDCIVTNJKLO-NCSXPDOZSA-N 1 2 494.105 3.693 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001306415244 1068903488 /nfs/dbraw/zinc/90/34/88/1068903488.db2.gz OMCYOYPWPMNDMZ-FVJLSDCUSA-N 1 2 458.557 3.868 20 0 JHADLO CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306449622 1068967404 /nfs/dbraw/zinc/96/74/04/1068967404.db2.gz KCSOSZLOBADKCX-SIKLNZKXSA-N 1 2 464.614 3.585 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001306453840 1068974497 /nfs/dbraw/zinc/97/44/97/1068974497.db2.gz LDLJAZHEQFAGNR-GOSISDBHSA-N 1 2 488.386 3.687 20 0 JHADLO CC/C=C\Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001306464748 1069001373 /nfs/dbraw/zinc/00/13/73/1069001373.db2.gz NQSZKSNYNPLUKJ-FPLPWBNLSA-N 1 2 489.462 3.664 20 0 JHADLO CC/C=C\Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001306484833 1069024031 /nfs/dbraw/zinc/02/40/31/1069024031.db2.gz JWQLVGKULRZAPD-PLNGDYQASA-N 1 2 450.562 3.700 20 0 JHADLO CC/C=C\Cn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306491640 1069030476 /nfs/dbraw/zinc/03/04/76/1069030476.db2.gz OWBVYZMRGBOBTN-ASYDGFSTSA-N 1 2 457.594 3.746 20 0 JHADLO COc1ccc(Cn2nccc2NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(OC)c1 ZINC001310609637 1069052437 /nfs/dbraw/zinc/05/24/37/1069052437.db2.gz MFKJOJYOGTZJEF-UHFFFAOYSA-N 1 2 450.543 3.656 20 0 JHADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC001310700335 1069119006 /nfs/dbraw/zinc/11/90/06/1069119006.db2.gz LPHGTJGTRDCDEM-UHFFFAOYSA-N 1 2 451.914 3.894 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306517926 1069129721 /nfs/dbraw/zinc/12/97/21/1069129721.db2.gz PNABKMAROGVHFG-NRFANRHFSA-N 1 2 461.614 3.809 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306533552 1069176801 /nfs/dbraw/zinc/17/68/01/1069176801.db2.gz AXFVXQOSVXLMMY-RDGATRHJSA-N 1 2 492.064 3.925 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001306535264 1069179507 /nfs/dbraw/zinc/17/95/07/1069179507.db2.gz PVJTUGINIKJTFC-XMMPIXPASA-N 1 2 455.006 3.867 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906277 1069217728 /nfs/dbraw/zinc/21/77/28/1069217728.db2.gz WGUCSKIOFDUJNO-QHCPKHFHSA-N 1 2 455.628 3.518 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906277 1069217731 /nfs/dbraw/zinc/21/77/31/1069217731.db2.gz WGUCSKIOFDUJNO-QHCPKHFHSA-N 1 2 455.628 3.518 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CC1)Nc1ccccc1 ZINC001310950376 1069231814 /nfs/dbraw/zinc/23/18/14/1069231814.db2.gz BOVWNBWFLBKROU-UHFFFAOYSA-N 1 2 452.946 3.750 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306566623 1069234034 /nfs/dbraw/zinc/23/40/34/1069234034.db2.gz HSOXKZKRJFAHLM-LJQANCHMSA-N 1 2 480.613 3.867 20 0 JHADLO COC(=O)c1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(Cl)cc1NC(C)=O ZINC001311190405 1069293595 /nfs/dbraw/zinc/29/35/95/1069293595.db2.gz BRHITRZENJVNPC-UHFFFAOYSA-N 1 2 455.902 3.652 20 0 JHADLO Cc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)n1 ZINC001164422101 718890168 /nfs/dbraw/zinc/89/01/68/718890168.db2.gz ZSTMUHINJOUZQU-LBPRGKRZSA-N 1 2 458.694 3.971 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164664197 719348226 /nfs/dbraw/zinc/34/82/26/719348226.db2.gz UCDQKZHPTALQAH-UHFFFAOYSA-N 1 2 450.974 3.855 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164664197 719348228 /nfs/dbraw/zinc/34/82/28/719348228.db2.gz UCDQKZHPTALQAH-UHFFFAOYSA-N 1 2 450.974 3.855 20 0 JHADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164660609 719353771 /nfs/dbraw/zinc/35/37/71/719353771.db2.gz VYDQPOLGFSJQEH-UHFFFAOYSA-N 1 2 458.610 3.916 20 0 JHADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164660609 719353774 /nfs/dbraw/zinc/35/37/74/719353774.db2.gz VYDQPOLGFSJQEH-UHFFFAOYSA-N 1 2 458.610 3.916 20 0 JHADLO COc1cc2ncc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164670964 719507106 /nfs/dbraw/zinc/50/71/06/719507106.db2.gz AITZCXWEMNIEDZ-UHFFFAOYSA-N 1 2 452.530 3.658 20 0 JHADLO COc1cc2ncc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164670964 719507115 /nfs/dbraw/zinc/50/71/15/719507115.db2.gz AITZCXWEMNIEDZ-UHFFFAOYSA-N 1 2 452.530 3.658 20 0 JHADLO Cc1cc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc(N3CCOCC3)c2s1 ZINC001164674005 719514090 /nfs/dbraw/zinc/51/40/90/719514090.db2.gz YNUKSGNKONOGBY-UHFFFAOYSA-N 1 2 497.640 3.847 20 0 JHADLO Cc1cc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc(N3CCOCC3)c2s1 ZINC001164674005 719514102 /nfs/dbraw/zinc/51/41/02/719514102.db2.gz YNUKSGNKONOGBY-UHFFFAOYSA-N 1 2 497.640 3.847 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cc1 ZINC001164673941 719526844 /nfs/dbraw/zinc/52/68/44/719526844.db2.gz UOMOMQGFVWXUHW-JOCHJYFZSA-N 1 2 488.913 3.946 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cc1 ZINC001164673941 719526857 /nfs/dbraw/zinc/52/68/57/719526857.db2.gz UOMOMQGFVWXUHW-JOCHJYFZSA-N 1 2 488.913 3.946 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164706782 719847576 /nfs/dbraw/zinc/84/75/76/719847576.db2.gz YKKOLLYZGRFFBF-GCJKJVERSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164704023 719863200 /nfs/dbraw/zinc/86/32/00/719863200.db2.gz QOVIAUBZCFZPRK-BTYIYWSLSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2Cl)nc(C)c1C ZINC001164703059 719873232 /nfs/dbraw/zinc/87/32/32/719873232.db2.gz JTPIGQPLQNJZIT-HOYKHHGWSA-N 1 2 458.990 3.647 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2Cl)nc(C)c1C ZINC001164703077 719873579 /nfs/dbraw/zinc/87/35/79/719873579.db2.gz JTPIGQPLQNJZIT-MHECFPHRSA-N 1 2 458.990 3.647 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164723324 720315499 /nfs/dbraw/zinc/31/54/99/720315499.db2.gz NNOJZKXRJVEIPO-GOSISDBHSA-N 1 2 464.904 3.725 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164723850 720316017 /nfs/dbraw/zinc/31/60/17/720316017.db2.gz PMBSXHKCZWCWIQ-QGZVFWFLSA-N 1 2 475.931 3.754 20 0 JHADLO COc1cccc2c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)cc(Cl)nc12 ZINC001164826820 720359090 /nfs/dbraw/zinc/35/90/90/720359090.db2.gz ZNLRWFYDBANORF-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO COc1cccc2c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)cc(Cl)nc12 ZINC001164826820 720359095 /nfs/dbraw/zinc/35/90/95/720359095.db2.gz ZNLRWFYDBANORF-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164824823 720366569 /nfs/dbraw/zinc/36/65/69/720366569.db2.gz NHSBPHUSWDYPDX-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164824823 720366579 /nfs/dbraw/zinc/36/65/79/720366579.db2.gz NHSBPHUSWDYPDX-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sc6c(c54)CC[C@H](C)C6)CC3)C2=O)cs1 ZINC001164825607 720369323 /nfs/dbraw/zinc/36/93/23/720369323.db2.gz RTIZUNLTTQHIBW-INIZCTEOSA-N 1 2 496.706 3.894 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sc6c(c54)CC[C@H](C)C6)CC3)C2=O)cs1 ZINC001164825607 720369330 /nfs/dbraw/zinc/36/93/30/720369330.db2.gz RTIZUNLTTQHIBW-INIZCTEOSA-N 1 2 496.706 3.894 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729331 720417917 /nfs/dbraw/zinc/41/79/17/720417917.db2.gz HADTZOUEACODBZ-PKTZIBPZSA-N 1 2 479.606 3.529 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729331 720417925 /nfs/dbraw/zinc/41/79/25/720417925.db2.gz HADTZOUEACODBZ-PKTZIBPZSA-N 1 2 479.606 3.529 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164859417 720896138 /nfs/dbraw/zinc/89/61/38/720896138.db2.gz QFLRURIWVAOWBJ-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164859449 720896626 /nfs/dbraw/zinc/89/66/26/720896626.db2.gz RGMXHFQHDUIQKL-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758593 720985388 /nfs/dbraw/zinc/98/53/88/720985388.db2.gz WNBHDDWVGPKJJE-CYBMUJFWSA-N 1 2 454.934 3.630 20 0 JHADLO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164778602 721325019 /nfs/dbraw/zinc/32/50/19/721325019.db2.gz QEMCCTQLHMPCMW-NRFANRHFSA-N 1 2 475.568 3.776 20 0 JHADLO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164778602 721325026 /nfs/dbraw/zinc/32/50/26/721325026.db2.gz QEMCCTQLHMPCMW-NRFANRHFSA-N 1 2 475.568 3.776 20 0 JHADLO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914411 721793758 /nfs/dbraw/zinc/79/37/58/721793758.db2.gz NBLCTCKLSRQXDZ-SKCUWOTOSA-N 1 2 488.636 3.511 20 0 JHADLO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914411 721793760 /nfs/dbraw/zinc/79/37/60/721793760.db2.gz NBLCTCKLSRQXDZ-SKCUWOTOSA-N 1 2 488.636 3.511 20 0 JHADLO CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306623671 1069315522 /nfs/dbraw/zinc/31/55/22/1069315522.db2.gz UKQBVZAJGJCQNW-OAQYLSRUSA-N 1 2 480.613 3.867 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306632081 1069333475 /nfs/dbraw/zinc/33/34/75/1069333475.db2.gz JMEMUWYIICCSGD-NOZRDPDXSA-N 1 2 484.689 3.505 20 0 JHADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2Br)CC1 ZINC001311350159 1069336310 /nfs/dbraw/zinc/33/63/10/1069336310.db2.gz RRCVSPYDJMLIQT-IBGZPJMESA-N 1 2 458.400 3.681 20 0 JHADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2Br)CC1 ZINC001311350159 1069336320 /nfs/dbraw/zinc/33/63/20/1069336320.db2.gz RRCVSPYDJMLIQT-IBGZPJMESA-N 1 2 458.400 3.681 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311373421 1069349264 /nfs/dbraw/zinc/34/92/64/1069349264.db2.gz KMULULMITJVRKL-APWZRJJASA-N 1 2 454.974 3.878 20 0 JHADLO CCCCCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306646187 1069357769 /nfs/dbraw/zinc/35/77/69/1069357769.db2.gz PKMGAGKKJZLOFZ-NRFANRHFSA-N 1 2 458.626 3.506 20 0 JHADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@@H](C)O1 ZINC001311510833 1069415960 /nfs/dbraw/zinc/41/59/60/1069415960.db2.gz LHGJUIRKJQXCII-HUUCEWRRSA-N 1 2 455.521 3.596 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1)Nc1ccccc1 ZINC001311518020 1069419406 /nfs/dbraw/zinc/41/94/06/1069419406.db2.gz RBOKYCAXGNGYCI-JOCHJYFZSA-N 1 2 456.974 3.606 20 0 JHADLO CCCCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306690903 1069428339 /nfs/dbraw/zinc/42/83/39/1069428339.db2.gz LEOBQRNCDFACIJ-UHFFFAOYSA-N 1 2 455.994 3.900 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311701071 1069510116 /nfs/dbraw/zinc/51/01/16/1069510116.db2.gz SEAWIGOFCBJPRP-NRFANRHFSA-N 1 2 456.077 3.814 20 0 JHADLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC001311706213 1069511748 /nfs/dbraw/zinc/51/17/48/1069511748.db2.gz OQJUFPSRZKEPEW-SFTDATJTSA-N 1 2 458.971 3.538 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311727682 1069523943 /nfs/dbraw/zinc/52/39/43/1069523943.db2.gz RCXQSCRBPASJHO-XARZLDAJSA-N 1 2 459.974 3.761 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311727682 1069523946 /nfs/dbraw/zinc/52/39/46/1069523946.db2.gz RCXQSCRBPASJHO-XARZLDAJSA-N 1 2 459.974 3.761 20 0 JHADLO O=C(CCNC(=O)N1CCCC[C@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001311755493 1069533919 /nfs/dbraw/zinc/53/39/19/1069533919.db2.gz WIYCENYJGSOXNH-NRFANRHFSA-N 1 2 455.990 3.711 20 0 JHADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001306755713 1069552841 /nfs/dbraw/zinc/55/28/41/1069552841.db2.gz XSMHZTFTNNYEFJ-JTSKRJEESA-N 1 2 450.564 3.664 20 0 JHADLO CCCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001306800167 1069604978 /nfs/dbraw/zinc/60/49/78/1069604978.db2.gz WELADHJTUYQOIQ-RUZDIDTESA-N 1 2 473.687 3.918 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCCN(c4ccccc4)C3)[nH+]c12 ZINC001312022205 1069675163 /nfs/dbraw/zinc/67/51/63/1069675163.db2.gz YDCMWBZZXAVJIW-GOSISDBHSA-N 1 2 456.388 3.916 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 ZINC001312038470 1069687511 /nfs/dbraw/zinc/68/75/11/1069687511.db2.gz WGXZPYJXIOCDDW-HSZRJFAPSA-N 1 2 458.553 3.780 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314192494 1069756625 /nfs/dbraw/zinc/75/66/25/1069756625.db2.gz UGKJWLALLFLDNU-LEWJYISDSA-N 1 2 492.624 3.820 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001314192496 1069756639 /nfs/dbraw/zinc/75/66/39/1069756639.db2.gz UGKJWLALLFLDNU-RTWAWAEBSA-N 1 2 492.624 3.820 20 0 JHADLO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312269287 1069826771 /nfs/dbraw/zinc/82/67/71/1069826771.db2.gz GKOKCCDPCFGCMT-YGOYIFOWSA-N 1 2 458.002 3.951 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3ccc(C)cc3O[C@@H]3CCOC3)CC2)c1 ZINC001312278961 1069832462 /nfs/dbraw/zinc/83/24/62/1069832462.db2.gz QXIISTDDQIOEMJ-HYBUGGRVSA-N 1 2 453.583 3.760 20 0 JHADLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC001312287825 1069839687 /nfs/dbraw/zinc/83/96/87/1069839687.db2.gz VVSAVCOHWBNBGM-KRWDZBQOSA-N 1 2 453.518 3.781 20 0 JHADLO O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001312319306 1069860481 /nfs/dbraw/zinc/86/04/81/1069860481.db2.gz XSBVJRLZCZVEQV-ZLHKHBAESA-N 1 2 456.949 3.625 20 0 JHADLO CCCN1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1=O ZINC001307064987 1069868942 /nfs/dbraw/zinc/86/89/42/1069868942.db2.gz KJWUXBQQCMBEMM-UHFFFAOYSA-N 1 2 481.689 3.995 20 0 JHADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001312333707 1069869910 /nfs/dbraw/zinc/86/99/10/1069869910.db2.gz MBBCYDCHQBMPDH-WIOPSUGQSA-N 1 2 453.627 3.721 20 0 JHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2(n3cc(Br)cn3)CC2)c(C)c1 ZINC001312350268 1069879378 /nfs/dbraw/zinc/87/93/78/1069879378.db2.gz KATYDKPNLFKEEY-LJQANCHMSA-N 1 2 457.376 3.689 20 0 JHADLO CSc1cc(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC001312388681 1069902199 /nfs/dbraw/zinc/90/21/99/1069902199.db2.gz RHTDSKNJTGAGIX-UHFFFAOYSA-N 1 2 450.362 3.768 20 0 JHADLO CC[C@@H](c1nnc(SCc2ccc(Cl)cc2OC)n1CCN1CCOCC1)[NH+](C)C ZINC001307241897 1069912554 /nfs/dbraw/zinc/91/25/54/1069912554.db2.gz XUPBHVIQQCSNST-SFHVURJKSA-N 1 2 454.040 3.577 20 0 JHADLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425759 1069928135 /nfs/dbraw/zinc/92/81/35/1069928135.db2.gz LOKPUSQYKABCLK-VSUDMRMVSA-N 1 2 456.974 3.657 20 0 JHADLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425759 1069928143 /nfs/dbraw/zinc/92/81/43/1069928143.db2.gz LOKPUSQYKABCLK-VSUDMRMVSA-N 1 2 456.974 3.657 20 0 JHADLO CN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[C@H](CO)c1ccc(Cl)cc1 ZINC001312426223 1069929213 /nfs/dbraw/zinc/92/92/13/1069929213.db2.gz NWTRPZVRNFBNHK-HKBOAZHASA-N 1 2 452.382 3.740 20 0 JHADLO CN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[C@H](CO)c1ccc(Cl)cc1 ZINC001312426223 1069929224 /nfs/dbraw/zinc/92/92/24/1069929224.db2.gz NWTRPZVRNFBNHK-HKBOAZHASA-N 1 2 452.382 3.740 20 0 JHADLO CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCO[C@](C)(C(C)(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314238667 1069938359 /nfs/dbraw/zinc/93/83/59/1069938359.db2.gz ANBHVFBPXOQKFW-BVTSPIHXSA-N 1 2 477.694 3.703 20 0 JHADLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001307426183 1069978521 /nfs/dbraw/zinc/97/85/21/1069978521.db2.gz ZTLYVMSMDDMLSE-KBXIAJHMSA-N 1 2 454.411 3.736 20 0 JHADLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001307426183 1069978530 /nfs/dbraw/zinc/97/85/30/1069978530.db2.gz ZTLYVMSMDDMLSE-KBXIAJHMSA-N 1 2 454.411 3.736 20 0 JHADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001307458536 1069996696 /nfs/dbraw/zinc/99/66/96/1069996696.db2.gz SSZSWOLILVJLJS-DEOSSOPVSA-N 1 2 451.615 3.931 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001312543043 1070003699 /nfs/dbraw/zinc/00/36/99/1070003699.db2.gz MPKYOTQLLBNRAN-HMXCVIKNSA-N 1 2 471.577 3.677 20 0 JHADLO C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001307472285 1070004831 /nfs/dbraw/zinc/00/48/31/1070004831.db2.gz LILLYZZVMAASRD-FQEVSTJZSA-N 1 2 455.558 3.764 20 0 JHADLO COc1ccc(C(=O)N2CC[NH+](CCOc3cccc4ccccc43)CC2)c(OC)c1OC ZINC001307517038 1070029906 /nfs/dbraw/zinc/02/99/06/1070029906.db2.gz RHJFRJDFDTZXRM-UHFFFAOYSA-N 1 2 450.535 3.702 20 0 JHADLO COc1cc(C[NH+]2CCN(CCOc3cc(F)cc(Br)c3)CC2)cc(OC)c1 ZINC001307523061 1070032941 /nfs/dbraw/zinc/03/29/41/1070032941.db2.gz FSOGSXJDHFEWGM-UHFFFAOYSA-N 1 2 453.352 3.802 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c1 ZINC001312593102 1070033870 /nfs/dbraw/zinc/03/38/70/1070033870.db2.gz WZYYBDLVJJNTLT-FDFHNCONSA-N 1 2 458.400 3.814 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c1 ZINC001312593102 1070033904 /nfs/dbraw/zinc/03/39/04/1070033904.db2.gz WZYYBDLVJJNTLT-FDFHNCONSA-N 1 2 458.400 3.814 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307528592 1070036456 /nfs/dbraw/zinc/03/64/56/1070036456.db2.gz ILVAOLUJPDGUAR-CJNGLKHVSA-N 1 2 453.605 3.715 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307528592 1070036478 /nfs/dbraw/zinc/03/64/78/1070036478.db2.gz ILVAOLUJPDGUAR-CJNGLKHVSA-N 1 2 453.605 3.715 20 0 JHADLO COc1cc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581104 1070063055 /nfs/dbraw/zinc/06/30/55/1070063055.db2.gz KFJKCBVPDMXFSU-PBHICJAKSA-N 1 2 454.976 3.572 20 0 JHADLO COc1cc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581104 1070063072 /nfs/dbraw/zinc/06/30/72/1070063072.db2.gz KFJKCBVPDMXFSU-PBHICJAKSA-N 1 2 454.976 3.572 20 0 JHADLO COc1cc(CNC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC ZINC001307596470 1070071434 /nfs/dbraw/zinc/07/14/34/1070071434.db2.gz HHIUVLBOHIIINC-HSZRJFAPSA-N 1 2 455.942 3.756 20 0 JHADLO CCOCc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001314290845 1070070535 /nfs/dbraw/zinc/07/05/35/1070070535.db2.gz CBFMOZHHVITKFL-DNQXCXABSA-N 1 2 485.673 3.550 20 0 JHADLO CCOCc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001314297720 1070080765 /nfs/dbraw/zinc/08/07/65/1070080765.db2.gz UVXISCQGJVRPNH-YOFSQIOKSA-N 1 2 486.617 3.633 20 0 JHADLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001307640550 1070096380 /nfs/dbraw/zinc/09/63/80/1070096380.db2.gz QSCKTROMZBIFNG-ZDUSSCGKSA-N 1 2 450.358 3.863 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc3n1CCCCC3)CCCC2 ZINC001307660283 1070108086 /nfs/dbraw/zinc/10/80/86/1070108086.db2.gz DHIDFATWORJPIB-HUUCEWRRSA-N 1 2 459.616 3.799 20 0 JHADLO CSCC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1nnc2ccccn21 ZINC001307660817 1070108221 /nfs/dbraw/zinc/10/82/21/1070108221.db2.gz IYTWDOQGLHQCOQ-INIZCTEOSA-N 1 2 455.481 3.587 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3CCC[C@H]3c3ccccc3)CC2)C1 ZINC001312768482 1070112822 /nfs/dbraw/zinc/11/28/22/1070112822.db2.gz PVEAKQITNMOWRM-VABKMULXSA-N 1 2 456.631 3.907 20 0 JHADLO CC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1nc(C(F)(F)F)cs1 ZINC001307669749 1070113809 /nfs/dbraw/zinc/11/38/09/1070113809.db2.gz NKTUWQWTWCTCLU-LBPRGKRZSA-N 1 2 458.462 3.712 20 0 JHADLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cs1 ZINC001307672492 1070116374 /nfs/dbraw/zinc/11/63/74/1070116374.db2.gz NRSAYEJLIWKLHJ-KRWDZBQOSA-N 1 2 459.616 3.869 20 0 JHADLO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cs1 ZINC001307672492 1070116385 /nfs/dbraw/zinc/11/63/85/1070116385.db2.gz NRSAYEJLIWKLHJ-KRWDZBQOSA-N 1 2 459.616 3.869 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC001307724065 1070148524 /nfs/dbraw/zinc/14/85/24/1070148524.db2.gz JQPDZUGPBUJRAQ-BHDDXSALSA-N 1 2 451.567 3.619 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC001307724065 1070148527 /nfs/dbraw/zinc/14/85/27/1070148527.db2.gz JQPDZUGPBUJRAQ-BHDDXSALSA-N 1 2 451.567 3.619 20 0 JHADLO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1CCOc3c(Br)cccc3C1)O2 ZINC001307739474 1070159588 /nfs/dbraw/zinc/15/95/88/1070159588.db2.gz ZJDQNFMBEXCYDF-INIZCTEOSA-N 1 2 453.377 3.812 20 0 JHADLO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+]1CCOc3c(Br)cccc3C1)O2 ZINC001307739474 1070159596 /nfs/dbraw/zinc/15/95/96/1070159596.db2.gz ZJDQNFMBEXCYDF-INIZCTEOSA-N 1 2 453.377 3.812 20 0 JHADLO CCOc1ccc(-n2c3nnc(C[N@H+](C)C[C@@H](C)OC)n3c3cc(Cl)ccc3c2=O)cc1 ZINC001307745132 1070162989 /nfs/dbraw/zinc/16/29/89/1070162989.db2.gz CQJXKLUJRHOGDM-OAHLLOKOSA-N 1 2 455.946 3.552 20 0 JHADLO CCOc1ccc(-n2c3nnc(C[N@@H+](C)C[C@@H](C)OC)n3c3cc(Cl)ccc3c2=O)cc1 ZINC001307745132 1070162997 /nfs/dbraw/zinc/16/29/97/1070162997.db2.gz CQJXKLUJRHOGDM-OAHLLOKOSA-N 1 2 455.946 3.552 20 0 JHADLO CCCN1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1=O ZINC001312889988 1070168924 /nfs/dbraw/zinc/16/89/24/1070168924.db2.gz HGQAAJITMRYZSS-GOSISDBHSA-N 1 2 458.603 3.640 20 0 JHADLO CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1nncn1C ZINC001307758475 1070169231 /nfs/dbraw/zinc/16/92/31/1070169231.db2.gz SFXZTDJMXVMDHB-NRFANRHFSA-N 1 2 451.596 3.912 20 0 JHADLO CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314363662 1070189693 /nfs/dbraw/zinc/18/96/93/1070189693.db2.gz ZTUVDDXQCCCLJZ-AUSIDOKSSA-N 1 2 451.562 3.791 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804482 1070190516 /nfs/dbraw/zinc/19/05/16/1070190516.db2.gz IZPQAAHPGUXSFP-UYDITSSVSA-N 1 2 450.554 3.995 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804482 1070190522 /nfs/dbraw/zinc/19/05/22/1070190522.db2.gz IZPQAAHPGUXSFP-UYDITSSVSA-N 1 2 450.554 3.995 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC001307829316 1070203634 /nfs/dbraw/zinc/20/36/34/1070203634.db2.gz NSYIWOOOCHTVOD-KRWDZBQOSA-N 1 2 450.509 3.941 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC001307829316 1070203647 /nfs/dbraw/zinc/20/36/47/1070203647.db2.gz NSYIWOOOCHTVOD-KRWDZBQOSA-N 1 2 450.509 3.941 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001314367191 1070200998 /nfs/dbraw/zinc/20/09/98/1070200998.db2.gz IOYADVJPBLWFCY-NRFANRHFSA-N 1 2 472.634 3.987 20 0 JHADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@H](COC)c3cccc(Cl)c3)nc2c1 ZINC001307822013 1070201246 /nfs/dbraw/zinc/20/12/46/1070201246.db2.gz RKETXUOFXHHJFL-HXUWFJFHSA-N 1 2 450.992 3.724 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314369930 1070206522 /nfs/dbraw/zinc/20/65/22/1070206522.db2.gz UADPZWNEADCBQP-FXAWDEMLSA-N 1 2 492.615 3.527 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849244 1070210609 /nfs/dbraw/zinc/21/06/09/1070210609.db2.gz BASTTWZLKCPHJM-GJZGRUSLSA-N 1 2 450.601 3.652 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)CCC2 ZINC001307849244 1070210620 /nfs/dbraw/zinc/21/06/20/1070210620.db2.gz BASTTWZLKCPHJM-GJZGRUSLSA-N 1 2 450.601 3.652 20 0 JHADLO CCOCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314377355 1070218857 /nfs/dbraw/zinc/21/88/57/1070218857.db2.gz RWHTXWHJJRBTTE-PKTZIBPZSA-N 1 2 473.687 3.918 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC001313021670 1070224045 /nfs/dbraw/zinc/22/40/45/1070224045.db2.gz RNNRBNNGYIOALO-RJGXRXQPSA-N 1 2 456.631 3.975 20 0 JHADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC001307904128 1070232782 /nfs/dbraw/zinc/23/27/82/1070232782.db2.gz LMUVOLOGGYVILD-UHFFFAOYSA-N 1 2 453.568 3.534 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)NC(=O)N[C@H]1c1ccco1 ZINC001307927924 1070246387 /nfs/dbraw/zinc/24/63/87/1070246387.db2.gz VVBWBRWFNGGUHN-AVRDEDQJSA-N 1 2 453.539 3.520 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)NC(=O)N[C@H]1c1ccco1 ZINC001307927924 1070246394 /nfs/dbraw/zinc/24/63/94/1070246394.db2.gz VVBWBRWFNGGUHN-AVRDEDQJSA-N 1 2 453.539 3.520 20 0 JHADLO CCOCc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1Cc1c[nH+]ccc1OC ZINC001314405198 1070268204 /nfs/dbraw/zinc/26/82/04/1070268204.db2.gz XEJCUJVRCHBUSI-FQEVSTJZSA-N 1 2 488.386 3.607 20 0 JHADLO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013972 1070279761 /nfs/dbraw/zinc/27/97/61/1070279761.db2.gz GZTJLKNMJNIURB-BULFRSBZSA-N 1 2 464.570 3.725 20 0 JHADLO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013972 1070279775 /nfs/dbraw/zinc/27/97/75/1070279775.db2.gz GZTJLKNMJNIURB-BULFRSBZSA-N 1 2 464.570 3.725 20 0 JHADLO CCOC(=O)C1C(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001308027554 1070284723 /nfs/dbraw/zinc/28/47/23/1070284723.db2.gz JMUWGHUMTNZDCT-RKVPGOIHSA-N 1 2 457.880 3.998 20 0 JHADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308112569 1070317628 /nfs/dbraw/zinc/31/76/28/1070317628.db2.gz JUBBIPOKOISKRD-ZDUSSCGKSA-N 1 2 456.395 3.847 20 0 JHADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001308172964 1070335984 /nfs/dbraw/zinc/33/59/84/1070335984.db2.gz JCIGIJJDAOYZMR-IBGZPJMESA-N 1 2 454.637 3.754 20 0 JHADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001308172964 1070336003 /nfs/dbraw/zinc/33/60/03/1070336003.db2.gz JCIGIJJDAOYZMR-IBGZPJMESA-N 1 2 454.637 3.754 20 0 JHADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308378187 1070364546 /nfs/dbraw/zinc/36/45/46/1070364546.db2.gz ITSMOMAHRXSKLP-QGZVFWFLSA-N 1 2 453.591 3.762 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(Cc3cccc(CNC(=O)OC(C)(C)C)c3)CC2)c1 ZINC001308567204 1070391881 /nfs/dbraw/zinc/39/18/81/1070391881.db2.gz QENKELCIJRBFTA-UHFFFAOYSA-N 1 2 455.599 3.917 20 0 JHADLO CS(=O)(=O)CCSc1cc(Br)ccc1CN1CCC(c2c[nH]c[nH+]2)CC1 ZINC001308573665 1070392414 /nfs/dbraw/zinc/39/24/14/1070392414.db2.gz QIBKGOMQLYWZCR-UHFFFAOYSA-N 1 2 458.447 3.689 20 0 JHADLO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(OCC(F)F)c(OC)c3)CC2)cc1F ZINC001308658695 1070412731 /nfs/dbraw/zinc/41/27/31/1070412731.db2.gz SAXMPTLHWZDAOT-UHFFFAOYSA-N 1 2 454.489 3.813 20 0 JHADLO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OCC(F)F)c(OC)c3)CC2)cc1F ZINC001308658695 1070412738 /nfs/dbraw/zinc/41/27/38/1070412738.db2.gz SAXMPTLHWZDAOT-UHFFFAOYSA-N 1 2 454.489 3.813 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001313461265 1070414986 /nfs/dbraw/zinc/41/49/86/1070414986.db2.gz IIYUNFAKWQOOSR-UTKZUKDTSA-N 1 2 485.583 3.597 20 0 JHADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@@H]1C ZINC001308696214 1070420123 /nfs/dbraw/zinc/42/01/23/1070420123.db2.gz NPHUWLDABXPOIY-DOMZBBRYSA-N 1 2 455.784 3.738 20 0 JHADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@@H]1C ZINC001308696214 1070420129 /nfs/dbraw/zinc/42/01/29/1070420129.db2.gz NPHUWLDABXPOIY-DOMZBBRYSA-N 1 2 455.784 3.738 20 0 JHADLO COc1ccc([C@@H](O)C2CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)cc1 ZINC001308782842 1070437950 /nfs/dbraw/zinc/43/79/50/1070437950.db2.gz QTBPSEOUAZBXCH-JOCHJYFZSA-N 1 2 457.372 3.984 20 0 JHADLO COCO[C@@H](C)c1cc(F)c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1Br ZINC001308895780 1070456379 /nfs/dbraw/zinc/45/63/79/1070456379.db2.gz BWZULLOGSVNWIW-LVXYXVKQSA-N 1 2 454.336 3.894 20 0 JHADLO COCO[C@@H](C)c1cc(F)c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1Br ZINC001308895780 1070456396 /nfs/dbraw/zinc/45/63/96/1070456396.db2.gz BWZULLOGSVNWIW-LVXYXVKQSA-N 1 2 454.336 3.894 20 0 JHADLO O=S(=O)(NCCCn1cc[nH+]c1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001309000570 1070476674 /nfs/dbraw/zinc/47/66/74/1070476674.db2.gz BVVYLCXDNLUNMT-UHFFFAOYSA-N 1 2 454.321 3.946 20 0 JHADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1F ZINC001309085190 1070529862 /nfs/dbraw/zinc/52/98/62/1070529862.db2.gz BSVYBQRKIAAASV-LJQANCHMSA-N 1 2 452.523 3.503 20 0 JHADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C[C@H](C)O1 ZINC001309102866 1070541872 /nfs/dbraw/zinc/54/18/72/1070541872.db2.gz KRDGWHLUXCYNLZ-RZUBCFFCSA-N 1 2 450.645 3.908 20 0 JHADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C[C@H](C)O1 ZINC001309102866 1070541878 /nfs/dbraw/zinc/54/18/78/1070541878.db2.gz KRDGWHLUXCYNLZ-RZUBCFFCSA-N 1 2 450.645 3.908 20 0 JHADLO CC[S@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001314564051 1070567074 /nfs/dbraw/zinc/56/70/74/1070567074.db2.gz IGLHAHXBLSSOSV-UPTQXZAWSA-N 1 2 473.668 3.667 20 0 JHADLO CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001314562731 1070564446 /nfs/dbraw/zinc/56/44/46/1070564446.db2.gz DKTMRXIOFKJDMQ-DUTUXMCTSA-N 1 2 471.627 3.507 20 0 JHADLO CC[S@](=O)CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001314580563 1070592499 /nfs/dbraw/zinc/59/24/99/1070592499.db2.gz UXNHUZMVZAUGBR-GTJUCTONSA-N 1 2 459.660 3.596 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001313527303 1070603760 /nfs/dbraw/zinc/60/37/60/1070603760.db2.gz UTLMAMJJWWHVIB-PMACEKPBSA-N 1 2 470.666 3.862 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001313527303 1070603762 /nfs/dbraw/zinc/60/37/62/1070603762.db2.gz UTLMAMJJWWHVIB-PMACEKPBSA-N 1 2 470.666 3.862 20 0 JHADLO CCN(C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)S(=O)(=O)CCc1scnc1C ZINC001309214535 1070613776 /nfs/dbraw/zinc/61/37/76/1070613776.db2.gz UBGAANXBNVGARN-UHFFFAOYSA-N 1 2 451.662 3.537 20 0 JHADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001314594391 1070630454 /nfs/dbraw/zinc/63/04/54/1070630454.db2.gz JNEPQUZDIRYISU-WCIQWLHISA-N 1 2 497.756 3.655 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314605528 1070662766 /nfs/dbraw/zinc/66/27/66/1070662766.db2.gz AKNCHSDIBDAWDT-GOSISDBHSA-N 1 2 455.632 3.521 20 0 JHADLO CC1(C)[C@H](CS(=O)(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1(F)F ZINC001309305228 1070685224 /nfs/dbraw/zinc/68/52/24/1070685224.db2.gz PHCJBKVCXGRZAX-INIZCTEOSA-N 1 2 451.377 3.624 20 0 JHADLO CN(C)C(=O)CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314629355 1070726663 /nfs/dbraw/zinc/72/66/63/1070726663.db2.gz ZAPNAHAQWFNLQT-JOCHJYFZSA-N 1 2 497.594 3.616 20 0 JHADLO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001313605841 1070729655 /nfs/dbraw/zinc/72/96/55/1070729655.db2.gz UBIFMMOVKXSENP-HXUWFJFHSA-N 1 2 490.693 3.882 20 0 JHADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H](C)C1CCC1 ZINC001313605732 1070729705 /nfs/dbraw/zinc/72/97/05/1070729705.db2.gz TWYJQZOVNQEBPA-WEYGHZABSA-N 1 2 477.650 3.637 20 0 JHADLO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001313605840 1070729870 /nfs/dbraw/zinc/72/98/70/1070729870.db2.gz UBIFMMOVKXSENP-FQEVSTJZSA-N 1 2 490.693 3.882 20 0 JHADLO O=S(=O)(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1=Cc2cc(Cl)ccc2OC1 ZINC001309394736 1070744174 /nfs/dbraw/zinc/74/41/74/1070744174.db2.gz OWDDXXBRRPCMPY-IBGZPJMESA-N 1 2 451.013 3.610 20 0 JHADLO O=S(=O)(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1=Cc2cc(Cl)ccc2OC1 ZINC001309394736 1070744187 /nfs/dbraw/zinc/74/41/87/1070744187.db2.gz OWDDXXBRRPCMPY-IBGZPJMESA-N 1 2 451.013 3.610 20 0 JHADLO CCN(C1CCN(c2nnc(C3CCCC3)n2CCCc2cccc(C)[nH+]2)CC1)S(C)(=O)=O ZINC001313626896 1070756310 /nfs/dbraw/zinc/75/63/10/1070756310.db2.gz LDXBBLJBWPCCIO-UHFFFAOYSA-N 1 2 474.675 3.522 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314651606 1070761247 /nfs/dbraw/zinc/76/12/47/1070761247.db2.gz DFANNKZEWVTQFO-XLIONFOSSA-N 1 2 474.600 3.748 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1)c1c(F)cccc1F ZINC001314655714 1070773441 /nfs/dbraw/zinc/77/34/41/1070773441.db2.gz SUOYWSJELPICRL-INIZCTEOSA-N 1 2 496.534 3.696 20 0 JHADLO CN(C)c1ccc(Cn2c(N(C)Cc3cnn(Cc4ccccc4)c3)nnc2C(C)(C)C)c[nH+]1 ZINC001314658675 1070779903 /nfs/dbraw/zinc/77/99/03/1070779903.db2.gz FNEYBSVNRBYFNV-UHFFFAOYSA-N 1 2 458.614 3.966 20 0 JHADLO CN(C)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCCC2)c[nH+]1 ZINC001314659274 1070781099 /nfs/dbraw/zinc/78/10/99/1070781099.db2.gz UNYJZUAJJGQNDW-UHFFFAOYSA-N 1 2 467.643 3.795 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H]2CCOC2)c[nH+]1 ZINC001314660072 1070783203 /nfs/dbraw/zinc/78/32/03/1070783203.db2.gz FGXOAZTZKNKOPP-MRXNPFEDSA-N 1 2 475.366 3.581 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001314660739 1070784964 /nfs/dbraw/zinc/78/49/64/1070784964.db2.gz IPGDHWPQUGBRTQ-OAQYLSRUSA-N 1 2 493.631 3.648 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C)CCCC2)CC1 ZINC001313648009 1070814034 /nfs/dbraw/zinc/81/40/34/1070814034.db2.gz KABQDFVIMDBSRH-UHFFFAOYSA-N 1 2 498.672 3.533 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)CC1 ZINC001313648427 1070816422 /nfs/dbraw/zinc/81/64/22/1070816422.db2.gz PKFLOQVEXHVBEI-UHFFFAOYSA-N 1 2 467.445 3.898 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(F)(F)F)CC1 ZINC001313648623 1070818155 /nfs/dbraw/zinc/81/81/55/1070818155.db2.gz SHTOZIINLYNLJX-UHFFFAOYSA-N 1 2 496.578 3.533 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001313655282 1070843744 /nfs/dbraw/zinc/84/37/44/1070843744.db2.gz ZBWXACLLFBJFAJ-UHFFFAOYSA-N 1 2 482.677 3.809 20 0 JHADLO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001314709397 1070885263 /nfs/dbraw/zinc/88/52/63/1070885263.db2.gz BBHPFUJOWGCGMH-GOSISDBHSA-N 1 2 484.004 3.798 20 0 JHADLO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCCO2)n1CCCNc1cccc[nH+]1 ZINC001314709590 1070885703 /nfs/dbraw/zinc/88/57/03/1070885703.db2.gz FEUDDWSPTMIRPF-LJQANCHMSA-N 1 2 469.977 3.755 20 0 JHADLO CN(CC(C)(C)C)c1nnc(COc2ccc(Br)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314716333 1070906277 /nfs/dbraw/zinc/90/62/77/1070906277.db2.gz WDHLISKAOXRGLH-UHFFFAOYSA-N 1 2 492.462 3.967 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c[nH+]1 ZINC001313678102 1070928320 /nfs/dbraw/zinc/92/83/20/1070928320.db2.gz CTNDWLSFDKWOCD-FXAWDEMLSA-N 1 2 489.546 3.709 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC001313678757 1070931452 /nfs/dbraw/zinc/93/14/52/1070931452.db2.gz HZPQXOMTBKHSQS-JOCHJYFZSA-N 1 2 463.630 3.805 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001309709368 1070934578 /nfs/dbraw/zinc/93/45/78/1070934578.db2.gz DGNRCRGCTIURMN-GOSISDBHSA-N 1 2 452.349 3.725 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313679608 1070936332 /nfs/dbraw/zinc/93/63/32/1070936332.db2.gz OOTBPLKGZYIZEY-FNZWTVRRSA-N 1 2 483.661 3.870 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)ccc1Br ZINC001309786031 1070967179 /nfs/dbraw/zinc/96/71/79/1070967179.db2.gz OWDFFHPJBUVSCB-KRWDZBQOSA-N 1 2 451.386 3.513 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)ccc1Br ZINC001309786031 1070967188 /nfs/dbraw/zinc/96/71/88/1070967188.db2.gz OWDFFHPJBUVSCB-KRWDZBQOSA-N 1 2 451.386 3.513 20 0 JHADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001309828318 1070987354 /nfs/dbraw/zinc/98/73/54/1070987354.db2.gz LEZJWGFODPRJBU-UHFFFAOYSA-N 1 2 459.955 3.507 20 0 JHADLO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313729025 1071040697 /nfs/dbraw/zinc/04/06/97/1071040697.db2.gz DMHMVAJQWUDMHM-GOSISDBHSA-N 1 2 483.082 3.515 20 0 JHADLO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313729026 1071040771 /nfs/dbraw/zinc/04/07/71/1071040771.db2.gz DMHMVAJQWUDMHM-SFHVURJKSA-N 1 2 483.082 3.515 20 0 JHADLO CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313736656 1071058513 /nfs/dbraw/zinc/05/85/13/1071058513.db2.gz PLSNIQZPNRPOHA-UHFFFAOYSA-N 1 2 464.614 3.891 20 0 JHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001310034483 1071074264 /nfs/dbraw/zinc/07/42/64/1071074264.db2.gz OTYZPVVLGDBRRL-BRWVUGGUSA-N 1 2 451.637 4.000 20 0 JHADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001310034483 1071074282 /nfs/dbraw/zinc/07/42/82/1071074282.db2.gz OTYZPVVLGDBRRL-BRWVUGGUSA-N 1 2 451.637 4.000 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccccc2)n1CCCNC(C)=O ZINC001313779398 1071142468 /nfs/dbraw/zinc/14/24/68/1071142468.db2.gz NZZXZOBJXPVCAT-UHFFFAOYSA-N 1 2 461.614 3.609 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313782592 1071148475 /nfs/dbraw/zinc/14/84/75/1071148475.db2.gz JGHDUAIFAGZLPH-MJGOQNOKSA-N 1 2 498.455 3.890 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)C[C@H](C)O1 ZINC001310140070 1071148682 /nfs/dbraw/zinc/14/86/82/1071148682.db2.gz OWFXUXGOLGFWAM-GXKRZCMTSA-N 1 2 459.612 3.714 20 0 JHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)C[C@H](C)O1 ZINC001310140070 1071148684 /nfs/dbraw/zinc/14/86/84/1071148684.db2.gz OWFXUXGOLGFWAM-GXKRZCMTSA-N 1 2 459.612 3.714 20 0 JHADLO CCOC1CC(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)([NH+]2CCOCC2)C1 ZINC001310151552 1071157301 /nfs/dbraw/zinc/15/73/01/1071157301.db2.gz TVAQBDCEBYXVKB-UHFFFAOYSA-N 1 2 453.583 3.965 20 0 JHADLO COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C[C@H]1c1ccc(F)cc1F ZINC001310291184 1071274736 /nfs/dbraw/zinc/27/47/36/1071274736.db2.gz OXESDCONTBEUEI-URZJWIJPSA-N 1 2 473.520 3.779 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001314870585 1071281832 /nfs/dbraw/zinc/28/18/32/1071281832.db2.gz RHQHEAMFTIOUBW-UHFFFAOYSA-N 1 2 486.951 3.891 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCC1(F)F ZINC001314870950 1071282707 /nfs/dbraw/zinc/28/27/07/1071282707.db2.gz AEFZRNDPWHPVBU-SFHVURJKSA-N 1 2 467.536 3.590 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](F)C1 ZINC001314871186 1071283335 /nfs/dbraw/zinc/28/33/35/1071283335.db2.gz ZPAXAZVSLCLCQH-HZPDHXFCSA-N 1 2 484.389 3.753 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 ZINC001314874041 1071290795 /nfs/dbraw/zinc/29/07/95/1071290795.db2.gz LVIJKAMJAWZCFE-UHFFFAOYSA-N 1 2 486.661 3.773 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314874136 1071291571 /nfs/dbraw/zinc/29/15/71/1071291571.db2.gz NPKXCPHJIKUXPT-RUZDIDTESA-N 1 2 476.065 3.622 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001310354723 1071333513 /nfs/dbraw/zinc/33/35/13/1071333513.db2.gz FYZLTGZDXVMOLB-QUCCMNQESA-N 1 2 451.493 3.692 20 0 JHADLO CCn1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC001313845805 1071335064 /nfs/dbraw/zinc/33/50/64/1071335064.db2.gz DHPUQUXGOBYWFG-HXUWFJFHSA-N 1 2 471.675 3.703 20 0 JHADLO Cc1c(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cccc1N1CCOC1=O ZINC001310366012 1071342284 /nfs/dbraw/zinc/34/22/84/1071342284.db2.gz CVYAMXQAXKAYLA-IBGZPJMESA-N 1 2 452.555 3.706 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001313872970 1071423883 /nfs/dbraw/zinc/42/38/83/1071423883.db2.gz BNNIBMJPSYTZCM-RTWAWAEBSA-N 1 2 491.702 3.643 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001313872970 1071423886 /nfs/dbraw/zinc/42/38/86/1071423886.db2.gz BNNIBMJPSYTZCM-RTWAWAEBSA-N 1 2 491.702 3.643 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)[nH+]1 ZINC001314953653 1071425225 /nfs/dbraw/zinc/42/52/25/1071425225.db2.gz XMCUCRGRXORAGG-INIZCTEOSA-N 1 2 485.430 3.862 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926160 1071575439 /nfs/dbraw/zinc/57/54/39/1071575439.db2.gz AGRIWZBGVZXFCF-JWQCQUIFSA-N 1 2 498.716 3.753 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926999 1071578746 /nfs/dbraw/zinc/57/87/46/1071578746.db2.gz HBDUVDDMUXJXFI-QFIPXVFZSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313928298 1071583147 /nfs/dbraw/zinc/58/31/47/1071583147.db2.gz UJBNGZQVAGLVCT-NRFANRHFSA-N 1 2 472.703 3.523 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313929318 1071586546 /nfs/dbraw/zinc/58/65/46/1071586546.db2.gz YYTKTVDVYMMPCZ-DNVJHFABSA-N 1 2 486.730 3.830 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001314041905 1071846722 /nfs/dbraw/zinc/84/67/22/1071846722.db2.gz WZLQLDIUPVFIAT-NRFANRHFSA-N 1 2 469.634 3.940 20 0 JHADLO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3C)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074508 1071929893 /nfs/dbraw/zinc/92/98/93/1071929893.db2.gz LCXRZILBYZOASG-UQBPGWFLSA-N 1 2 451.571 3.888 20 0 JHADLO CCO[C@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(CC)(CC)SC)CCOC1 ZINC001314121701 1072024933 /nfs/dbraw/zinc/02/49/33/1072024933.db2.gz PULGOVXHXNCRGP-RUZDIDTESA-N 1 2 488.702 3.876 20 0 JHADLO CCO[C@]1(c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC(C)(C)CC)CCOC1 ZINC001314136493 1072048404 /nfs/dbraw/zinc/04/84/04/1072048404.db2.gz PAVPIUIVOZFGIA-RUZDIDTESA-N 1 2 459.610 3.828 20 0 JHADLO CCc1ccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001305923136 1068218616 /nfs/dbraw/zinc/21/86/16/1068218616.db2.gz FMCYYICFRXOFLZ-UHFFFAOYSA-N 1 2 481.555 3.510 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2ccoc2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305976220 1068315012 /nfs/dbraw/zinc/31/50/12/1068315012.db2.gz FAYWEPJWODLEOM-IBGZPJMESA-N 1 2 453.587 3.678 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305977488 1068317387 /nfs/dbraw/zinc/31/73/87/1068317387.db2.gz DVTUOKWPSNUJBQ-FGZHOGPDSA-N 1 2 453.631 3.933 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305979472 1068321596 /nfs/dbraw/zinc/32/15/96/1068321596.db2.gz VZWRPRUJIFKDCG-QFIPXVFZSA-N 1 2 496.700 3.989 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305990205 1068349941 /nfs/dbraw/zinc/34/99/41/1068349941.db2.gz XMTBTEHGXWSLNT-FQEVSTJZSA-N 1 2 464.614 3.934 20 0 JHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)c2C1 ZINC001306027301 1068423776 /nfs/dbraw/zinc/42/37/76/1068423776.db2.gz JCGXDFQQQRKHOZ-RXVVDRJESA-N 1 2 456.562 3.690 20 0 JHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)c2C1 ZINC001306027301 1068423782 /nfs/dbraw/zinc/42/37/82/1068423782.db2.gz JCGXDFQQQRKHOZ-RXVVDRJESA-N 1 2 456.562 3.690 20 0 JHADLO CCc1nc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001306032179 1068434574 /nfs/dbraw/zinc/43/45/74/1068434574.db2.gz DQFUEUJUUXYINJ-FQEVSTJZSA-N 1 2 484.670 3.850 20 0 JHADLO CCc1nc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001306032179 1068434577 /nfs/dbraw/zinc/43/45/77/1068434577.db2.gz DQFUEUJUUXYINJ-FQEVSTJZSA-N 1 2 484.670 3.850 20 0 JHADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCSCC(F)(F)F ZINC001306073859 1068507639 /nfs/dbraw/zinc/50/76/39/1068507639.db2.gz FZEMWXNDNBPNBC-OAHLLOKOSA-N 1 2 463.595 3.707 20 0 JHADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(Br)n1 ZINC001306076017 1068508223 /nfs/dbraw/zinc/50/82/23/1068508223.db2.gz QKUNQODFKJFDCB-QGZVFWFLSA-N 1 2 491.459 3.618 20 0 JHADLO CCc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001306080407 1068510994 /nfs/dbraw/zinc/51/09/94/1068510994.db2.gz YXHHRQJFDIOFDP-JGCGQSQUSA-N 1 2 452.628 3.648 20 0 JHADLO CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001306123482 1068532063 /nfs/dbraw/zinc/53/20/63/1068532063.db2.gz XQXMAKXMLHWICX-UGKGYDQZSA-N 1 2 479.629 3.873 20 0 JHADLO CN1C(=O)CC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181062 1068572381 /nfs/dbraw/zinc/57/23/81/1068572381.db2.gz XOOIAGIHGNRHBN-KSSFIOAISA-N 1 2 452.502 3.698 20 0 JHADLO CN1C(=O)CC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181062 1068572391 /nfs/dbraw/zinc/57/23/91/1068572391.db2.gz XOOIAGIHGNRHBN-KSSFIOAISA-N 1 2 452.502 3.698 20 0 JHADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306188736 1068581586 /nfs/dbraw/zinc/58/15/86/1068581586.db2.gz NYYIPQQRLQFONM-QGZVFWFLSA-N 1 2 469.565 3.659 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCOc1ncccc1Cl ZINC001306197908 1068590066 /nfs/dbraw/zinc/59/00/66/1068590066.db2.gz SVRLWABWPWFYQI-UHFFFAOYSA-N 1 2 471.009 3.516 20 0 JHADLO CCc1nnc(N[C@H](C)[C@H](OC)c2ccccc2Cl)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306228022 1068612610 /nfs/dbraw/zinc/61/26/10/1068612610.db2.gz OKCPANYSNRYQMX-VGSWGCGISA-N 1 2 471.005 3.962 20 0 JHADLO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306261122 1068671093 /nfs/dbraw/zinc/67/10/93/1068671093.db2.gz SXNKBSMNKQYLDI-KNQAVFIVSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001306261122 1068671100 /nfs/dbraw/zinc/67/11/00/1068671100.db2.gz SXNKBSMNKQYLDI-KNQAVFIVSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306283979 1068701401 /nfs/dbraw/zinc/70/14/01/1068701401.db2.gz NZLZTDBXYHAELB-AVRDEDQJSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306283979 1068701407 /nfs/dbraw/zinc/70/14/07/1068701407.db2.gz NZLZTDBXYHAELB-AVRDEDQJSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001306392414 1068833298 /nfs/dbraw/zinc/83/32/98/1068833298.db2.gz BXYSNZFQLLWPLN-YADHBBJMSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001306392414 1068833317 /nfs/dbraw/zinc/83/33/17/1068833317.db2.gz BXYSNZFQLLWPLN-YADHBBJMSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001306457230 1068985290 /nfs/dbraw/zinc/98/52/90/1068985290.db2.gz MGWIBISWOIXPTK-RTBURBONSA-N 1 2 477.700 3.632 20 0 JHADLO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306467687 1069008187 /nfs/dbraw/zinc/00/81/87/1069008187.db2.gz WECBKNXVMRETRY-WJMWBRGCSA-N 1 2 499.660 3.562 20 0 JHADLO COc1ccc(Cn2nccc2NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(OC)c1 ZINC001310609494 1069051552 /nfs/dbraw/zinc/05/15/52/1069051552.db2.gz KDADMGBEOSOCHP-QGZVFWFLSA-N 1 2 455.584 3.921 20 0 JHADLO CCOC(=O)c1nc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)sc1C(C)=O ZINC001310656036 1069090335 /nfs/dbraw/zinc/09/03/35/1069090335.db2.gz JNZFMEDKJKQVDI-UHFFFAOYSA-N 1 2 459.572 3.688 20 0 JHADLO O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310660892 1069093402 /nfs/dbraw/zinc/09/34/02/1069093402.db2.gz RAIQQGSSOQICJL-IBGZPJMESA-N 1 2 457.481 3.739 20 0 JHADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310683070 1069107720 /nfs/dbraw/zinc/10/77/20/1069107720.db2.gz MGHJNDWYFCTKMO-WOJBJXKFSA-N 1 2 455.559 3.642 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306517303 1069126587 /nfs/dbraw/zinc/12/65/87/1069126587.db2.gz MRXQQDAYJQLQMF-IBGZPJMESA-N 1 2 478.597 3.538 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(F)cc3OC3CCOCC3)C2)cc1 ZINC001310716544 1069130955 /nfs/dbraw/zinc/13/09/55/1069130955.db2.gz OBAJKTOUFOCTNI-JOCHJYFZSA-N 1 2 457.546 3.714 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(F)cc3OC3CCOCC3)C2)cc1 ZINC001310716544 1069130961 /nfs/dbraw/zinc/13/09/61/1069130961.db2.gz OBAJKTOUFOCTNI-JOCHJYFZSA-N 1 2 457.546 3.714 20 0 JHADLO CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(F)c1 ZINC001310753198 1069151243 /nfs/dbraw/zinc/15/12/43/1069151243.db2.gz PHYUQXVTSNWTSI-HNNXBMFYSA-N 1 2 454.593 3.950 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(OC)c1F ZINC001310754610 1069151757 /nfs/dbraw/zinc/15/17/57/1069151757.db2.gz YYCHRBAVDIUKIJ-SJLPKXTDSA-N 1 2 455.889 3.829 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(OC)c1F ZINC001310754610 1069151766 /nfs/dbraw/zinc/15/17/66/1069151766.db2.gz YYCHRBAVDIUKIJ-SJLPKXTDSA-N 1 2 455.889 3.829 20 0 JHADLO Cc1nc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775829 1069157205 /nfs/dbraw/zinc/15/72/05/1069157205.db2.gz DQVJGRBPXDMHOU-IFMALSPDSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1nc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775829 1069157213 /nfs/dbraw/zinc/15/72/13/1069157213.db2.gz DQVJGRBPXDMHOU-IFMALSPDSA-N 1 2 454.962 3.637 20 0 JHADLO CCC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306533554 1069176805 /nfs/dbraw/zinc/17/68/05/1069176805.db2.gz AXFVXQOSVXLMMY-WIOPSUGQSA-N 1 2 492.064 3.925 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001306538715 1069185973 /nfs/dbraw/zinc/18/59/73/1069185973.db2.gz XZHMKBBZQDRRIX-NMMYMHLASA-N 1 2 477.675 3.642 20 0 JHADLO CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2F)ccn1 ZINC001310839189 1069186831 /nfs/dbraw/zinc/18/68/31/1069186831.db2.gz DZYFZQHIANABRC-HNNXBMFYSA-N 1 2 452.490 3.518 20 0 JHADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310875693 1069203107 /nfs/dbraw/zinc/20/31/07/1069203107.db2.gz AFXFINSHDLXQPT-UHFFFAOYSA-N 1 2 457.522 3.722 20 0 JHADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310875693 1069203115 /nfs/dbraw/zinc/20/31/15/1069203115.db2.gz AFXFINSHDLXQPT-UHFFFAOYSA-N 1 2 457.522 3.722 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306564323 1069232622 /nfs/dbraw/zinc/23/26/22/1069232622.db2.gz BODNEVLJZSMURO-SFHVURJKSA-N 1 2 474.613 3.574 20 0 JHADLO CSc1cccnc1NC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001310968703 1069236175 /nfs/dbraw/zinc/23/61/75/1069236175.db2.gz OWYAMJCUIHGGJG-UHFFFAOYSA-N 1 2 452.559 3.986 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c[nH+]ccc1OC ZINC001306582390 1069246637 /nfs/dbraw/zinc/24/66/37/1069246637.db2.gz VEJLPUHRMZKRRY-GOSISDBHSA-N 1 2 450.591 3.529 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cc(Cl)c(Br)cc1F ZINC001311040601 1069255747 /nfs/dbraw/zinc/25/57/47/1069255747.db2.gz LJTOREVDCICBLI-INIZCTEOSA-N 1 2 452.777 3.571 20 0 JHADLO CCC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001306591099 1069260319 /nfs/dbraw/zinc/26/03/19/1069260319.db2.gz VVJOYZOSUNHIKK-LJQANCHMSA-N 1 2 452.607 3.637 20 0 JHADLO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001306618272 1069301236 /nfs/dbraw/zinc/30/12/36/1069301236.db2.gz NSILWOCGKGTOSR-DHIUTWEWSA-N 1 2 455.647 3.963 20 0 JHADLO COc1nnc(Cl)cc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420264 718891103 /nfs/dbraw/zinc/89/11/03/718891103.db2.gz SZSBWEIULVJNMI-GFCCVEGCSA-N 1 2 474.693 3.672 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(OCc5ccccc5)ccc4n3)CC2)C1=O ZINC001164640052 719276284 /nfs/dbraw/zinc/27/62/84/719276284.db2.gz NECCRQRUKMTLJM-UHFFFAOYSA-N 1 2 474.605 3.573 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(OCc5ccccc5)ccc4n3)CC2)C1=O ZINC001164640052 719276287 /nfs/dbraw/zinc/27/62/87/719276287.db2.gz NECCRQRUKMTLJM-UHFFFAOYSA-N 1 2 474.605 3.573 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1C ZINC001164663542 719349853 /nfs/dbraw/zinc/34/98/53/719349853.db2.gz KFGAAVJPZKMOOG-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1C ZINC001164663542 719349854 /nfs/dbraw/zinc/34/98/54/719349854.db2.gz KFGAAVJPZKMOOG-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164658558 719353626 /nfs/dbraw/zinc/35/36/26/719353626.db2.gz IWCNSUFSNFOIMU-UHFFFAOYSA-N 1 2 454.582 3.856 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164658558 719353629 /nfs/dbraw/zinc/35/36/29/719353629.db2.gz IWCNSUFSNFOIMU-UHFFFAOYSA-N 1 2 454.582 3.856 20 0 JHADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)C1 ZINC001164672773 719520834 /nfs/dbraw/zinc/52/08/34/719520834.db2.gz NSBQBWMSMNUGHV-OAQYLSRUSA-N 1 2 466.601 3.964 20 0 JHADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)C1 ZINC001164672773 719520842 /nfs/dbraw/zinc/52/08/42/719520842.db2.gz NSBQBWMSMNUGHV-OAQYLSRUSA-N 1 2 466.601 3.964 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)cc1 ZINC001164671719 719524582 /nfs/dbraw/zinc/52/45/82/719524582.db2.gz IWJPLSAYLHPINQ-UHFFFAOYSA-N 1 2 476.552 3.925 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)cc1 ZINC001164671719 719524587 /nfs/dbraw/zinc/52/45/87/719524587.db2.gz IWJPLSAYLHPINQ-UHFFFAOYSA-N 1 2 476.552 3.925 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164703937 719849993 /nfs/dbraw/zinc/84/99/93/719849993.db2.gz RICAFORTSNHGPF-VLIAUNLRSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164707137 719873337 /nfs/dbraw/zinc/87/33/37/719873337.db2.gz QSLSYNDJMORJHJ-LAUBAEHRSA-N 1 2 453.917 3.666 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164723328 720314972 /nfs/dbraw/zinc/31/49/72/720314972.db2.gz NNOJZKXRJVEIPO-SFHVURJKSA-N 1 2 464.904 3.725 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164724581 720316697 /nfs/dbraw/zinc/31/66/97/720316697.db2.gz RIRDEXPWAYEDML-QGZVFWFLSA-N 1 2 464.904 3.952 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164825500 720360874 /nfs/dbraw/zinc/36/08/74/720360874.db2.gz PUSRXOZGICMYGF-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164825500 720360881 /nfs/dbraw/zinc/36/08/81/720360881.db2.gz PUSRXOZGICMYGF-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825327 720387644 /nfs/dbraw/zinc/38/76/44/720387644.db2.gz VANGFOFHIMIMDS-UBFVSLLYSA-N 1 2 477.634 3.753 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825327 720387653 /nfs/dbraw/zinc/38/76/53/720387653.db2.gz VANGFOFHIMIMDS-UBFVSLLYSA-N 1 2 477.634 3.753 20 0 JHADLO Cc1ccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164831098 720399872 /nfs/dbraw/zinc/39/98/72/720399872.db2.gz VEZQVWIRAXZXFG-UHFFFAOYSA-N 1 2 470.915 3.897 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)cc(Cl)n1)C2 ZINC001164826458 720452017 /nfs/dbraw/zinc/45/20/17/720452017.db2.gz XAADTYPDPCTJOR-OAQYLSRUSA-N 1 2 468.001 3.588 20 0 JHADLO CCOC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)n1 ZINC001164756799 720979387 /nfs/dbraw/zinc/97/93/87/720979387.db2.gz LJNJKOWKGHWBGH-HNNXBMFYSA-N 1 2 454.905 3.716 20 0 JHADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766257 721274368 /nfs/dbraw/zinc/27/43/68/721274368.db2.gz ASFGCRUJMCHZSP-AWEZNQCLSA-N 1 2 457.872 3.530 20 0 JHADLO COc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165010313 721720515 /nfs/dbraw/zinc/72/05/15/721720515.db2.gz GDXQUUKKCUQEGR-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO COc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165010313 721720517 /nfs/dbraw/zinc/72/05/17/721720517.db2.gz GDXQUUKKCUQEGR-UHFFFAOYSA-N 1 2 457.966 3.773 20 0 JHADLO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914349 721794234 /nfs/dbraw/zinc/79/42/34/721794234.db2.gz MAWLAAHEJHZYOE-XMMPIXPASA-N 1 2 485.947 3.564 20 0 JHADLO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914349 721794236 /nfs/dbraw/zinc/79/42/36/721794236.db2.gz MAWLAAHEJHZYOE-XMMPIXPASA-N 1 2 485.947 3.564 20 0 JHADLO Fc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915731 721800287 /nfs/dbraw/zinc/80/02/87/721800287.db2.gz ZAAGFTVYOFTSRT-XMMPIXPASA-N 1 2 485.947 3.564 20 0 JHADLO Fc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915731 721800290 /nfs/dbraw/zinc/80/02/90/721800290.db2.gz ZAAGFTVYOFTSRT-XMMPIXPASA-N 1 2 485.947 3.564 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913168 721800373 /nfs/dbraw/zinc/80/03/73/721800373.db2.gz AEBXDGIZXYDVPV-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913168 721800375 /nfs/dbraw/zinc/80/03/75/721800375.db2.gz AEBXDGIZXYDVPV-AREMUKBSSA-N 1 2 496.011 3.988 20 0 JHADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914505 721800627 /nfs/dbraw/zinc/80/06/27/721800627.db2.gz OKZBLJAIQBBRJC-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914505 721800628 /nfs/dbraw/zinc/80/06/28/721800628.db2.gz OKZBLJAIQBBRJC-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO FC1(F)CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@]12CCN(c1cnccn1)C2 ZINC001164914375 721802248 /nfs/dbraw/zinc/80/22/48/721802248.db2.gz MPZJTIOMODNMDJ-RUZDIDTESA-N 1 2 477.563 3.567 20 0 JHADLO FC1(F)CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@]12CCN(c1cnccn1)C2 ZINC001164914375 721802249 /nfs/dbraw/zinc/80/22/49/721802249.db2.gz MPZJTIOMODNMDJ-RUZDIDTESA-N 1 2 477.563 3.567 20 0 JHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001164918383 721813877 /nfs/dbraw/zinc/81/38/77/721813877.db2.gz VKZWWJKPGWXNOK-UHFFFAOYSA-N 1 2 465.001 3.611 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164917334 721815377 /nfs/dbraw/zinc/81/53/77/721815377.db2.gz LJQCNMQSVPDXFY-UHFFFAOYSA-N 1 2 450.896 3.913 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164917334 721815378 /nfs/dbraw/zinc/81/53/78/721815378.db2.gz LJQCNMQSVPDXFY-UHFFFAOYSA-N 1 2 450.896 3.913 20 0 JHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001164917787 721819325 /nfs/dbraw/zinc/81/93/25/721819325.db2.gz HRPNCGCFEPMMQL-UHFFFAOYSA-N 1 2 450.974 3.933 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccccc3-c3nccs3)C2)CC1 ZINC001311332267 1069327699 /nfs/dbraw/zinc/32/76/99/1069327699.db2.gz QRTQAYSUPCNZCD-QGZVFWFLSA-N 1 2 457.600 3.969 20 0 JHADLO CCCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)c(C)n1 ZINC001306658881 1069375059 /nfs/dbraw/zinc/37/50/59/1069375059.db2.gz WSBNTXPKZHDTMU-UHFFFAOYSA-N 1 2 465.650 3.645 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCC[C@H](O)C(F)F)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311450238 1069384714 /nfs/dbraw/zinc/38/47/14/1069384714.db2.gz BMOMTWGXFGWSJZ-MSOLQXFVSA-N 1 2 455.596 3.885 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCC[C@H](O)C(F)F)[N@H+]2CCc3sccc3C2)cc1 ZINC001311450238 1069384724 /nfs/dbraw/zinc/38/47/24/1069384724.db2.gz BMOMTWGXFGWSJZ-MSOLQXFVSA-N 1 2 455.596 3.885 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC001311470525 1069393824 /nfs/dbraw/zinc/39/38/24/1069393824.db2.gz LWKAUJCKQRAIBP-UHFFFAOYSA-N 1 2 459.974 3.580 20 0 JHADLO CCCCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001306676824 1069401071 /nfs/dbraw/zinc/40/10/71/1069401071.db2.gz LPBRDUJLVHMTOK-VWLOTQADSA-N 1 2 473.687 3.918 20 0 JHADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@H](C)O1 ZINC001311510831 1069415824 /nfs/dbraw/zinc/41/58/24/1069415824.db2.gz LHGJUIRKJQXCII-GASCZTMLSA-N 1 2 455.521 3.596 20 0 JHADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@H](C)O1 ZINC001311510831 1069415828 /nfs/dbraw/zinc/41/58/28/1069415828.db2.gz LHGJUIRKJQXCII-GASCZTMLSA-N 1 2 455.521 3.596 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001311535849 1069427652 /nfs/dbraw/zinc/42/76/52/1069427652.db2.gz YIWAKEDLFLXURM-SFHVURJKSA-N 1 2 450.505 3.741 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306693843 1069430832 /nfs/dbraw/zinc/43/08/32/1069430832.db2.gz CIYIBCLSVUNOJP-HXUWFJFHSA-N 1 2 478.682 3.740 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001306693843 1069430835 /nfs/dbraw/zinc/43/08/35/1069430835.db2.gz CIYIBCLSVUNOJP-HXUWFJFHSA-N 1 2 478.682 3.740 20 0 JHADLO Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2)ccc1F ZINC001311546168 1069433120 /nfs/dbraw/zinc/43/31/20/1069433120.db2.gz SKYZRRDJAXCTFJ-QGZVFWFLSA-N 1 2 453.518 3.577 20 0 JHADLO CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001306703985 1069439499 /nfs/dbraw/zinc/43/94/99/1069439499.db2.gz YCXBBDUADDBIOU-IBGZPJMESA-N 1 2 490.599 3.870 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311690985 1069505187 /nfs/dbraw/zinc/50/51/87/1069505187.db2.gz QOYXEXNMDNTXIF-XMDBHEJHSA-N 1 2 453.917 3.757 20 0 JHADLO C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311690985 1069505191 /nfs/dbraw/zinc/50/51/91/1069505191.db2.gz QOYXEXNMDNTXIF-XMDBHEJHSA-N 1 2 453.917 3.757 20 0 JHADLO Cc1ccc(C2(CNC(=O)NCc3ccccc3OCC[NH+]3CCOCC3)CCC2)cc1C ZINC001311726914 1069523478 /nfs/dbraw/zinc/52/34/78/1069523478.db2.gz JZBWIGKBUCTEAB-UHFFFAOYSA-N 1 2 451.611 3.936 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC[C@@H]1CC=CCC1 ZINC001311737055 1069527897 /nfs/dbraw/zinc/52/78/97/1069527897.db2.gz SRGRLONPBIDTCT-APWZRJJASA-N 1 2 453.368 3.911 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC[C@@H]1CC=CCC1 ZINC001311737055 1069527906 /nfs/dbraw/zinc/52/79/06/1069527906.db2.gz SRGRLONPBIDTCT-APWZRJJASA-N 1 2 453.368 3.911 20 0 JHADLO CCCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2nnc(C)[nH]2)cc1OC ZINC001306749565 1069542898 /nfs/dbraw/zinc/54/28/98/1069542898.db2.gz WEHAXFCTJBUEDS-UHFFFAOYSA-N 1 2 496.660 3.722 20 0 JHADLO COc1cc(Br)c(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC001311864145 1069587310 /nfs/dbraw/zinc/58/73/10/1069587310.db2.gz NZHKFDNDTDBFJL-SFHVURJKSA-N 1 2 459.344 3.904 20 0 JHADLO C[C@@H](Oc1ccnc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1)c1ccccc1 ZINC001306871796 1069668225 /nfs/dbraw/zinc/66/82/25/1069668225.db2.gz HFVNRVPNHHIFLU-HXUWFJFHSA-N 1 2 459.550 3.684 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCCN(c4ccccc4)C3)[nH+]c12 ZINC001312022206 1069675252 /nfs/dbraw/zinc/67/52/52/1069675252.db2.gz YDCMWBZZXAVJIW-SFHVURJKSA-N 1 2 456.388 3.916 20 0 JHADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001312041631 1069688269 /nfs/dbraw/zinc/68/82/69/1069688269.db2.gz RIOBQPGGCLDTHF-DEOSSOPVSA-N 1 2 454.534 3.795 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NC3CCC(C(N)=O)CC3)c2c1C ZINC001306957945 1069689843 /nfs/dbraw/zinc/68/98/43/1069689843.db2.gz DZBVTTNHNXCFMF-UHFFFAOYSA-N 1 2 459.616 3.618 20 0 JHADLO CCCN(CCC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001307004596 1069699772 /nfs/dbraw/zinc/69/97/72/1069699772.db2.gz FWWSFANGKJMSEY-BGYRXZFFSA-N 1 2 476.666 3.540 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2CCC(C)C)cc1OC ZINC001314175581 1069702715 /nfs/dbraw/zinc/70/27/15/1069702715.db2.gz IIVMBMSDJHHPNV-UHFFFAOYSA-N 1 2 498.672 3.533 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176429 1069706372 /nfs/dbraw/zinc/70/63/72/1069706372.db2.gz SHMUUESPUCHKSF-MBSDFSHPSA-N 1 2 480.613 3.723 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC001312076825 1069709698 /nfs/dbraw/zinc/70/96/98/1069709698.db2.gz JUXSMZJZYFJTLB-WOJBJXKFSA-N 1 2 451.958 3.852 20 0 JHADLO CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)Sc1ccc(Br)cc1 ZINC001312094614 1069717211 /nfs/dbraw/zinc/71/72/11/1069717211.db2.gz FMXZZWCGCAFRMY-KRWDZBQOSA-N 1 2 456.450 3.826 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001312096621 1069718902 /nfs/dbraw/zinc/71/89/02/1069718902.db2.gz FZWLNITYCHPSDO-IBGZPJMESA-N 1 2 459.635 3.668 20 0 JHADLO CCCn1c(Cc2ccccc2OC)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001307024543 1069732560 /nfs/dbraw/zinc/73/25/60/1069732560.db2.gz PVRODALOUGLJIB-HXUWFJFHSA-N 1 2 455.628 3.859 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314191918 1069754755 /nfs/dbraw/zinc/75/47/55/1069754755.db2.gz QRVSDFHRSYKMSM-PCCBWWKXSA-N 1 2 487.645 3.541 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314191918 1069754765 /nfs/dbraw/zinc/75/47/65/1069754765.db2.gz QRVSDFHRSYKMSM-PCCBWWKXSA-N 1 2 487.645 3.541 20 0 JHADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)[nH+]c12 ZINC001312156786 1069755598 /nfs/dbraw/zinc/75/55/98/1069755598.db2.gz HMKCBOQUEZVOAO-PMACEKPBSA-N 1 2 455.603 3.864 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314203131 1069805739 /nfs/dbraw/zinc/80/57/39/1069805739.db2.gz SBZVQCACFHTNRO-SFTDATJTSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314203131 1069805760 /nfs/dbraw/zinc/80/57/60/1069805760.db2.gz SBZVQCACFHTNRO-SFTDATJTSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314203129 1069805829 /nfs/dbraw/zinc/80/58/29/1069805829.db2.gz SBZVQCACFHTNRO-NHCUHLMSSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314203129 1069805861 /nfs/dbraw/zinc/80/58/61/1069805861.db2.gz SBZVQCACFHTNRO-NHCUHLMSSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC001312255566 1069813201 /nfs/dbraw/zinc/81/32/01/1069813201.db2.gz CQWNRMCTTCLPKF-URXFXBBRSA-N 1 2 458.628 3.938 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001312333706 1069870011 /nfs/dbraw/zinc/87/00/11/1069870011.db2.gz MBBCYDCHQBMPDH-RDGATRHJSA-N 1 2 453.627 3.721 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314221289 1069871039 /nfs/dbraw/zinc/87/10/39/1069871039.db2.gz ACPYXVVUTIBHOF-LEWJYISDSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314221289 1069871062 /nfs/dbraw/zinc/87/10/62/1069871062.db2.gz ACPYXVVUTIBHOF-LEWJYISDSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314223664 1069880840 /nfs/dbraw/zinc/88/08/40/1069880840.db2.gz CTFXKYRYWXWZJZ-LEWJYISDSA-N 1 2 489.686 3.698 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314223664 1069880868 /nfs/dbraw/zinc/88/08/68/1069880868.db2.gz CTFXKYRYWXWZJZ-LEWJYISDSA-N 1 2 489.686 3.698 20 0 JHADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC001312348311 1069878684 /nfs/dbraw/zinc/87/86/84/1069878684.db2.gz AENCAKHCDXVXAB-YQVWRLOYSA-N 1 2 452.477 3.624 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314226534 1069896856 /nfs/dbraw/zinc/89/68/56/1069896856.db2.gz SOSVORCZPSRHMO-SFHVURJKSA-N 1 2 468.627 3.707 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312423627 1069925660 /nfs/dbraw/zinc/92/56/60/1069925660.db2.gz AXIXXYBNLIENIR-BVSLBCMMSA-N 1 2 459.974 3.933 20 0 JHADLO COc1cccc2c1OCCC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312423627 1069925669 /nfs/dbraw/zinc/92/56/69/1069925669.db2.gz AXIXXYBNLIENIR-BVSLBCMMSA-N 1 2 459.974 3.933 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)CCO2)cc1 ZINC001312427550 1069929871 /nfs/dbraw/zinc/92/98/71/1069929871.db2.gz WSOZUYGZDQBTFA-RJGXRXQPSA-N 1 2 459.974 3.503 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)CCO2)cc1 ZINC001312427550 1069929880 /nfs/dbraw/zinc/92/98/80/1069929880.db2.gz WSOZUYGZDQBTFA-RJGXRXQPSA-N 1 2 459.974 3.503 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2c(c1)CCCC2 ZINC001312459407 1069952401 /nfs/dbraw/zinc/95/24/01/1069952401.db2.gz DBAZDUVTVLYRBX-WMZHIEFXSA-N 1 2 456.631 3.963 20 0 JHADLO CCO[C@@H]1COCC[C@H]1NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312476965 1069959454 /nfs/dbraw/zinc/95/94/54/1069959454.db2.gz SPOHEVUUKHBPDC-WXFUMESZSA-N 1 2 458.002 3.951 20 0 JHADLO COCC[C@H](Cc1ccco1)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312483061 1069963599 /nfs/dbraw/zinc/96/35/99/1069963599.db2.gz FUCFRAQYMWANNQ-GOSISDBHSA-N 1 2 455.477 3.653 20 0 JHADLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001307412421 1069971617 /nfs/dbraw/zinc/97/16/17/1069971617.db2.gz FQPHKNMUVSSJCF-DHIUTWEWSA-N 1 2 458.002 3.922 20 0 JHADLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC001307458971 1069997726 /nfs/dbraw/zinc/99/77/26/1069997726.db2.gz MSJBSJOOQVVBQJ-HXUWFJFHSA-N 1 2 459.384 3.932 20 0 JHADLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC001307458971 1069997738 /nfs/dbraw/zinc/99/77/38/1069997738.db2.gz MSJBSJOOQVVBQJ-HXUWFJFHSA-N 1 2 459.384 3.932 20 0 JHADLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001307470795 1070004050 /nfs/dbraw/zinc/00/40/50/1070004050.db2.gz LYQMAGVVSBUQOM-HTAPYJJXSA-N 1 2 450.501 3.913 20 0 JHADLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC001307526257 1070035039 /nfs/dbraw/zinc/03/50/39/1070035039.db2.gz ROVLUBBGQFRIDO-UHFFFAOYSA-N 1 2 453.602 3.559 20 0 JHADLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC001307526257 1070035054 /nfs/dbraw/zinc/03/50/54/1070035054.db2.gz ROVLUBBGQFRIDO-UHFFFAOYSA-N 1 2 453.602 3.559 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC001307561276 1070053910 /nfs/dbraw/zinc/05/39/10/1070053910.db2.gz GPSHNVNWXIAWPR-QHCPKHFHSA-N 1 2 453.631 3.860 20 0 JHADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C(C)C)CC1 ZINC001307561276 1070053925 /nfs/dbraw/zinc/05/39/25/1070053925.db2.gz GPSHNVNWXIAWPR-QHCPKHFHSA-N 1 2 453.631 3.860 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC001312671946 1070073116 /nfs/dbraw/zinc/07/31/16/1070073116.db2.gz WUQFFBMBFDYKRW-UHFFFAOYSA-N 1 2 453.583 3.871 20 0 JHADLO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)NC(=O)N[C@@H]1c1ccco1 ZINC001307685396 1070124785 /nfs/dbraw/zinc/12/47/85/1070124785.db2.gz PSDNLUMURUVXKB-KPZWWZAWSA-N 1 2 459.453 3.546 20 0 JHADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001307696962 1070133402 /nfs/dbraw/zinc/13/34/02/1070133402.db2.gz QSNCHJHSNNDMHP-MRXNPFEDSA-N 1 2 450.383 3.831 20 0 JHADLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)c1 ZINC001307722153 1070146929 /nfs/dbraw/zinc/14/69/29/1070146929.db2.gz PNCYXRABSQULBE-UHFFFAOYSA-N 1 2 452.548 3.542 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307726708 1070151309 /nfs/dbraw/zinc/15/13/09/1070151309.db2.gz HXALJESCVSMEMJ-UZUQRXQVSA-N 1 2 458.580 3.739 20 0 JHADLO CN(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001307731002 1070154876 /nfs/dbraw/zinc/15/48/76/1070154876.db2.gz DFOQXIGBGRBLIS-UHFFFAOYSA-N 1 2 457.574 3.978 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760702 1070172094 /nfs/dbraw/zinc/17/20/94/1070172094.db2.gz WLKOHEAEQNGVQT-CYFREDJKSA-N 1 2 450.583 3.576 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760702 1070172099 /nfs/dbraw/zinc/17/20/99/1070172099.db2.gz WLKOHEAEQNGVQT-CYFREDJKSA-N 1 2 450.583 3.576 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001307754480 1070167651 /nfs/dbraw/zinc/16/76/51/1070167651.db2.gz XBUJYEOPSIDVHG-FXAWDEMLSA-N 1 2 451.995 3.688 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001307754480 1070167654 /nfs/dbraw/zinc/16/76/54/1070167654.db2.gz XBUJYEOPSIDVHG-FXAWDEMLSA-N 1 2 451.995 3.688 20 0 JHADLO CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1nncn1C ZINC001307758476 1070169397 /nfs/dbraw/zinc/16/93/97/1070169397.db2.gz SFXZTDJMXVMDHB-OAQYLSRUSA-N 1 2 451.596 3.912 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773156 1070177741 /nfs/dbraw/zinc/17/77/41/1070177741.db2.gz LROYTQWVRXUXLU-DLBZAZTESA-N 1 2 451.637 3.644 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773156 1070177748 /nfs/dbraw/zinc/17/77/48/1070177748.db2.gz LROYTQWVRXUXLU-DLBZAZTESA-N 1 2 451.637 3.644 20 0 JHADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](Cc3ccccc3)[C@]3(CO)CCOC3)s2)c1 ZINC001307763579 1070173731 /nfs/dbraw/zinc/17/37/31/1070173731.db2.gz OOODGMNZGBASEB-VWLOTQADSA-N 1 2 451.592 3.634 20 0 JHADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](Cc3ccccc3)[C@]3(CO)CCOC3)s2)c1 ZINC001307763579 1070173736 /nfs/dbraw/zinc/17/37/36/1070173736.db2.gz OOODGMNZGBASEB-VWLOTQADSA-N 1 2 451.592 3.634 20 0 JHADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](Cc3ccccc3)[C@@]3(CO)CCOC3)s2)c1 ZINC001307763578 1070173794 /nfs/dbraw/zinc/17/37/94/1070173794.db2.gz OOODGMNZGBASEB-RUZDIDTESA-N 1 2 451.592 3.634 20 0 JHADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](Cc3ccccc3)[C@@]3(CO)CCOC3)s2)c1 ZINC001307763578 1070173797 /nfs/dbraw/zinc/17/37/97/1070173797.db2.gz OOODGMNZGBASEB-RUZDIDTESA-N 1 2 451.592 3.634 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001314354010 1070174769 /nfs/dbraw/zinc/17/47/69/1070174769.db2.gz COYHPLFDEZQUIF-UHFFFAOYSA-N 1 2 469.659 3.835 20 0 JHADLO CCOCc1nnc(N2CCC=C(Br)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314360768 1070184518 /nfs/dbraw/zinc/18/45/18/1070184518.db2.gz ONTXCVXWYSKUQZ-QGZVFWFLSA-N 1 2 470.362 3.885 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](C(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001314361136 1070185197 /nfs/dbraw/zinc/18/51/97/1070185197.db2.gz NMDSKUQPMBXSNT-XMMPIXPASA-N 1 2 454.663 3.505 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804483 1070190369 /nfs/dbraw/zinc/19/03/69/1070190369.db2.gz IZPQAAHPGUXSFP-YDOVEJIGSA-N 1 2 450.554 3.995 20 0 JHADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804483 1070190376 /nfs/dbraw/zinc/19/03/76/1070190376.db2.gz IZPQAAHPGUXSFP-YDOVEJIGSA-N 1 2 450.554 3.995 20 0 JHADLO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806339 1070191411 /nfs/dbraw/zinc/19/14/11/1070191411.db2.gz XRHFMCXEFMKMDR-APWZRJJASA-N 1 2 456.608 3.898 20 0 JHADLO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806339 1070191417 /nfs/dbraw/zinc/19/14/17/1070191417.db2.gz XRHFMCXEFMKMDR-APWZRJJASA-N 1 2 456.608 3.898 20 0 JHADLO COc1ccccc1N1CC[C@@H]([N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1=O ZINC001307813113 1070195212 /nfs/dbraw/zinc/19/52/12/1070195212.db2.gz KDPWHOKDCFHICA-QUCCMNQESA-N 1 2 456.892 3.922 20 0 JHADLO COc1ccccc1N1CC[C@@H]([N@@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1=O ZINC001307813113 1070195214 /nfs/dbraw/zinc/19/52/14/1070195214.db2.gz KDPWHOKDCFHICA-QUCCMNQESA-N 1 2 456.892 3.922 20 0 JHADLO CCOCc1nnc(N2CCN(c3ccc(C)cc3)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001314387433 1070235330 /nfs/dbraw/zinc/23/53/30/1070235330.db2.gz QPXGNJYRLWZTJR-UHFFFAOYSA-N 1 2 463.630 3.739 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088823 1070246299 /nfs/dbraw/zinc/24/62/99/1070246299.db2.gz KPAGZOVWZVFTSN-UIOOFZCWSA-N 1 2 457.622 3.523 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088823 1070246311 /nfs/dbraw/zinc/24/63/11/1070246311.db2.gz KPAGZOVWZVFTSN-UIOOFZCWSA-N 1 2 457.622 3.523 20 0 JHADLO CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001313094864 1070248930 /nfs/dbraw/zinc/24/89/30/1070248930.db2.gz WWSJXXXEVXLQDI-UHFFFAOYSA-N 1 2 450.612 3.799 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCc2cc(Br)cc(F)c21 ZINC001313092797 1070248982 /nfs/dbraw/zinc/24/89/82/1070248982.db2.gz CVKGRADLUAWURA-UHFFFAOYSA-N 1 2 451.365 3.809 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001314400180 1070262011 /nfs/dbraw/zinc/26/20/11/1070262011.db2.gz QUDXOAANBGWISJ-NZQKXSOJSA-N 1 2 462.038 3.851 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001307982702 1070269348 /nfs/dbraw/zinc/26/93/48/1070269348.db2.gz MPTHAQKEXJGKHG-FHWLQOOXSA-N 1 2 453.505 3.890 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001307982702 1070269361 /nfs/dbraw/zinc/26/93/61/1070269361.db2.gz MPTHAQKEXJGKHG-FHWLQOOXSA-N 1 2 453.505 3.890 20 0 JHADLO O=C(C[NH+]1CCC(c2nc(C3CCC3)no2)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001308006007 1070276687 /nfs/dbraw/zinc/27/66/87/1070276687.db2.gz LUZSQZCCFDNJPR-UHFFFAOYSA-N 1 2 452.477 3.731 20 0 JHADLO CCOCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170292 1070279097 /nfs/dbraw/zinc/27/90/97/1070279097.db2.gz XJUGNDAGSWZMIS-RSXGOPAZSA-N 1 2 451.611 3.931 20 0 JHADLO CCOCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170292 1070279111 /nfs/dbraw/zinc/27/91/11/1070279111.db2.gz XJUGNDAGSWZMIS-RSXGOPAZSA-N 1 2 451.611 3.931 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001308039673 1070288089 /nfs/dbraw/zinc/28/80/89/1070288089.db2.gz MORHHHPCXWLPDV-OEMFJLHTSA-N 1 2 456.583 3.774 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001308039673 1070288107 /nfs/dbraw/zinc/28/81/07/1070288107.db2.gz MORHHHPCXWLPDV-OEMFJLHTSA-N 1 2 456.583 3.774 20 0 JHADLO COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1nc(C[NH+]3CCC(C)CC3)cs1)CC2 ZINC001308050380 1070293237 /nfs/dbraw/zinc/29/32/37/1070293237.db2.gz PKOXSMGNDFWJCQ-KRWDZBQOSA-N 1 2 458.628 3.950 20 0 JHADLO CCOC(=O)[C@@]1(F)C[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1CC ZINC001308065413 1070300056 /nfs/dbraw/zinc/30/00/56/1070300056.db2.gz NYIHWANXHSYBRF-RRMPHLOHSA-N 1 2 455.368 3.866 20 0 JHADLO CCOC(=O)[C@@]1(F)C[N@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1CC ZINC001308065413 1070300064 /nfs/dbraw/zinc/30/00/64/1070300064.db2.gz NYIHWANXHSYBRF-RRMPHLOHSA-N 1 2 455.368 3.866 20 0 JHADLO CCOC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314425725 1070303012 /nfs/dbraw/zinc/30/30/12/1070303012.db2.gz QRCAJHQKBIOCLW-FQEVSTJZSA-N 1 2 452.578 3.770 20 0 JHADLO COc1cccc2[nH]cc(CCNC(=O)N(Cc3ccccc3)[C@@H](C)C[NH+]3CCOCC3)c21 ZINC001313279624 1070314547 /nfs/dbraw/zinc/31/45/47/1070314547.db2.gz YWMYNPAOOYHZCQ-FQEVSTJZSA-N 1 2 450.583 3.652 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314440833 1070329073 /nfs/dbraw/zinc/32/90/73/1070329073.db2.gz BQXAAHCPDPMTPW-QZTJIDSGSA-N 1 2 498.455 3.747 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314442102 1070332543 /nfs/dbraw/zinc/33/25/43/1070332543.db2.gz MRJCWPUTDYIDOL-RTWAWAEBSA-N 1 2 499.660 3.722 20 0 JHADLO CCOCCC1(Cn2c(CC)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC001314444814 1070337821 /nfs/dbraw/zinc/33/78/21/1070337821.db2.gz HIBAXQSYIMNOAK-UHFFFAOYSA-N 1 2 455.651 3.986 20 0 JHADLO CNc1cc(CNC(=O)N2CC[C@H](Cc3cccc(I)c3)C2)cc[nH+]1 ZINC001313424845 1070355804 /nfs/dbraw/zinc/35/58/04/1070355804.db2.gz ICYFSXMSHJKSIN-MRXNPFEDSA-N 1 2 450.324 3.502 20 0 JHADLO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNc3cccc(CN4CCOCC4)[nH+]3)o2)C1 ZINC001308357256 1070361111 /nfs/dbraw/zinc/36/11/11/1070361111.db2.gz QKIUUOWKEAPBOU-LJQANCHMSA-N 1 2 456.587 3.677 20 0 JHADLO Cc1cc(N2CCC[C@H]([NH2+]Cc3ncc(C4OCCO4)s3)C2=O)ccc1Br ZINC001308363030 1070361709 /nfs/dbraw/zinc/36/17/09/1070361709.db2.gz IBPDPEVOGKVTAF-HNNXBMFYSA-N 1 2 452.374 3.545 20 0 JHADLO CCOc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1O[C@H](C)C(=O)N(C)C ZINC001308392497 1070367144 /nfs/dbraw/zinc/36/71/44/1070367144.db2.gz PRXVRJJNUGPUID-GBESFXJTSA-N 1 2 456.587 3.562 20 0 JHADLO CCOCCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314473342 1070383729 /nfs/dbraw/zinc/38/37/29/1070383729.db2.gz JYNYGYBOYULMQJ-UHFFFAOYSA-N 1 2 471.005 3.741 20 0 JHADLO CCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001314483784 1070396571 /nfs/dbraw/zinc/39/65/71/1070396571.db2.gz PJZDLTBHINEHGT-SFHVURJKSA-N 1 2 477.034 3.601 20 0 JHADLO COc1ccc(C[C@H](C)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1F ZINC001308620766 1070403443 /nfs/dbraw/zinc/40/34/43/1070403443.db2.gz YQFCSWTWWUBWIV-HNNXBMFYSA-N 1 2 458.958 3.812 20 0 JHADLO CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CC1 ZINC001308625749 1070404834 /nfs/dbraw/zinc/40/48/34/1070404834.db2.gz KCYZKENFQJDNBD-UHFFFAOYSA-N 1 2 458.430 3.585 20 0 JHADLO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC001308654443 1070411755 /nfs/dbraw/zinc/41/17/55/1070411755.db2.gz CAJZYJIOVYPJKK-UHFFFAOYSA-N 1 2 458.050 3.953 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001313462370 1070420842 /nfs/dbraw/zinc/42/08/42/1070420842.db2.gz BMCIETUFSKDSNP-JOCHJYFZSA-N 1 2 467.662 3.968 20 0 JHADLO CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314502130 1070436740 /nfs/dbraw/zinc/43/67/40/1070436740.db2.gz VQUAXLFQNQDIIV-BJKOFHAPSA-N 1 2 485.673 3.589 20 0 JHADLO COC(=O)c1c(C[NH+]2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)snc1OC ZINC001308859282 1070449989 /nfs/dbraw/zinc/44/99/89/1070449989.db2.gz LEDVKMMVKBDFHI-MRXNPFEDSA-N 1 2 453.605 3.797 20 0 JHADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1)c1ccccc1Cl ZINC001309014855 1070485498 /nfs/dbraw/zinc/48/54/98/1070485498.db2.gz ZIXYZMDVHRXCDD-OKULMJQMSA-N 1 2 450.988 3.888 20 0 JHADLO CCCNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001313485733 1070501840 /nfs/dbraw/zinc/50/18/40/1070501840.db2.gz TZYAKJLBVIIJOQ-UHFFFAOYSA-N 1 2 479.654 3.517 20 0 JHADLO CC(C)C(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001309078130 1070526769 /nfs/dbraw/zinc/52/67/69/1070526769.db2.gz IBWHHAZSJPWYQB-UHFFFAOYSA-N 1 2 451.539 3.502 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCO[C@@H](CC)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001313502375 1070528557 /nfs/dbraw/zinc/52/85/57/1070528557.db2.gz AQVDYAIHAZDKHS-FQEVSTJZSA-N 1 2 467.570 3.810 20 0 JHADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1F ZINC001309085188 1070529646 /nfs/dbraw/zinc/52/96/46/1070529646.db2.gz BSVYBQRKIAAASV-IBGZPJMESA-N 1 2 452.523 3.503 20 0 JHADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001309094382 1070536555 /nfs/dbraw/zinc/53/65/55/1070536555.db2.gz QSAAMJKITZCDCT-AWEZNQCLSA-N 1 2 453.923 3.557 20 0 JHADLO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001309157856 1070575408 /nfs/dbraw/zinc/57/54/08/1070575408.db2.gz SAJHIJOVWWFUGG-GOSISDBHSA-N 1 2 454.951 3.599 20 0 JHADLO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001309157856 1070575422 /nfs/dbraw/zinc/57/54/22/1070575422.db2.gz SAJHIJOVWWFUGG-GOSISDBHSA-N 1 2 454.951 3.599 20 0 JHADLO O=S(=O)(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cnn(CC(F)F)c1 ZINC001309161579 1070578223 /nfs/dbraw/zinc/57/82/23/1070578223.db2.gz UXHFYBOWGOOQED-UHFFFAOYSA-N 1 2 457.506 3.539 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001313527112 1070602836 /nfs/dbraw/zinc/60/28/36/1070602836.db2.gz KWBJNIPILGEEHZ-JOCHJYFZSA-N 1 2 466.634 3.754 20 0 JHADLO CCN(C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC001309214731 1070613754 /nfs/dbraw/zinc/61/37/54/1070613754.db2.gz XGDGHIRTYLJGPV-NRFANRHFSA-N 1 2 452.665 3.734 20 0 JHADLO CCC[C@@H]1C[C@H]1n1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001313536559 1070629176 /nfs/dbraw/zinc/62/91/76/1070629176.db2.gz ABSUHPZIPZOIDO-WIYYLYMNSA-N 1 2 459.038 3.950 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001314607288 1070666035 /nfs/dbraw/zinc/66/60/35/1070666035.db2.gz KYNYESQDRCMGKQ-NRFANRHFSA-N 1 2 485.702 3.802 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314612444 1070678262 /nfs/dbraw/zinc/67/82/62/1070678262.db2.gz ZNTGQKVTPUCREE-AZUAARDMSA-N 1 2 471.675 3.631 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309314574 1070692657 /nfs/dbraw/zinc/69/26/57/1070692657.db2.gz QACZXYSHIKGHSQ-HOTGVXAUSA-N 1 2 458.502 3.877 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001309314574 1070692663 /nfs/dbraw/zinc/69/26/63/1070692663.db2.gz QACZXYSHIKGHSQ-HOTGVXAUSA-N 1 2 458.502 3.877 20 0 JHADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)C1CCC1 ZINC001313605733 1070729930 /nfs/dbraw/zinc/72/99/30/1070729930.db2.gz TWYJQZOVNQEBPA-ZNLUXHQJSA-N 1 2 477.650 3.637 20 0 JHADLO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001309389142 1070740198 /nfs/dbraw/zinc/74/01/98/1070740198.db2.gz ADGXLRTWMWOXQB-UHFFFAOYSA-N 1 2 453.612 3.802 20 0 JHADLO CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313616664 1070740397 /nfs/dbraw/zinc/74/03/97/1070740397.db2.gz GLSVYFIVWDOZQE-RUZDIDTESA-N 1 2 473.687 3.917 20 0 JHADLO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001309388439 1070739511 /nfs/dbraw/zinc/73/95/11/1070739511.db2.gz PZSPBISTMAAHDA-QFIPXVFZSA-N 1 2 457.640 3.844 20 0 JHADLO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001309388439 1070739522 /nfs/dbraw/zinc/73/95/22/1070739522.db2.gz PZSPBISTMAAHDA-QFIPXVFZSA-N 1 2 457.640 3.844 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC001313618263 1070742690 /nfs/dbraw/zinc/74/26/90/1070742690.db2.gz JWEICMUNCBGIHT-GOSISDBHSA-N 1 2 468.581 3.732 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC001313618263 1070742703 /nfs/dbraw/zinc/74/27/03/1070742703.db2.gz JWEICMUNCBGIHT-GOSISDBHSA-N 1 2 468.581 3.732 20 0 JHADLO CN(C)c1ccc(Cn2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001314658720 1070779993 /nfs/dbraw/zinc/77/99/93/1070779993.db2.gz HGXXKUKKDGMFBO-UHFFFAOYSA-N 1 2 457.623 3.578 20 0 JHADLO CN(C)c1ccc(Cn2c(N3CCCN(C(=O)CCc4ccccc4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001314658966 1070780498 /nfs/dbraw/zinc/78/04/98/1070780498.db2.gz NJVAPPSGEYNJRN-UHFFFAOYSA-N 1 2 489.668 3.756 20 0 JHADLO CN(C)c1ccc(Cn2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001314658972 1070780598 /nfs/dbraw/zinc/78/05/98/1070780598.db2.gz NQZBJBAUAJBWAV-UHFFFAOYSA-N 1 2 482.654 3.528 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@H]2CCOC2)c[nH+]1 ZINC001314660802 1070785162 /nfs/dbraw/zinc/78/51/62/1070785162.db2.gz KQSRKFHLIYWCIS-QGZVFWFLSA-N 1 2 471.403 3.690 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cnccn2)c[nH+]1 ZINC001314661217 1070785248 /nfs/dbraw/zinc/78/52/48/1070785248.db2.gz NVKSOLCQLBWOCT-UHFFFAOYSA-N 1 2 452.925 3.673 20 0 JHADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)[nH+]1 ZINC001313641322 1070787269 /nfs/dbraw/zinc/78/72/69/1070787269.db2.gz UIVYZFTZTCZZQG-DEOSSOPVSA-N 1 2 476.625 3.719 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCC(C)(F)F ZINC001314712020 1070894789 /nfs/dbraw/zinc/89/47/89/1070894789.db2.gz DQGFGJCYZYHJLP-ROUUACIJSA-N 1 2 469.602 3.789 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCc1cccnc1 ZINC001314712203 1070895599 /nfs/dbraw/zinc/89/55/99/1070895599.db2.gz HZERVGMJVIHSRN-HXUWFJFHSA-N 1 2 454.644 3.785 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F ZINC001314712554 1070897664 /nfs/dbraw/zinc/89/76/64/1070897664.db2.gz QSRMDNGSBMQLSJ-HOTGVXAUSA-N 1 2 491.605 3.606 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1 ZINC001314712608 1070898177 /nfs/dbraw/zinc/89/81/77/1070898177.db2.gz RXEJFLVEVGOKNW-NTKDMRAZSA-N 1 2 461.676 3.599 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 ZINC001314712637 1070898718 /nfs/dbraw/zinc/89/87/18/1070898718.db2.gz TUQGWVJPIJOGHN-HSALFYBXSA-N 1 2 461.676 3.698 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c[nH+]1 ZINC001313674046 1070910073 /nfs/dbraw/zinc/91/00/73/1070910073.db2.gz HYNONUAJNLCSLB-OAQYLSRUSA-N 1 2 483.661 3.588 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1)c1ccco1 ZINC001313675714 1070917980 /nfs/dbraw/zinc/91/79/80/1070917980.db2.gz APEXSAWAPFEZDP-UYAOXDASSA-N 1 2 491.683 3.863 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001313678105 1070928346 /nfs/dbraw/zinc/92/83/46/1070928346.db2.gz CTNDWLSFDKWOCD-YLJYHZDGSA-N 1 2 489.546 3.709 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)c[nH+]1 ZINC001313679148 1070933946 /nfs/dbraw/zinc/93/39/46/1070933946.db2.gz KRDSSFGKTZGELI-UHFFFAOYSA-N 1 2 493.631 3.602 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001313678580 1070930216 /nfs/dbraw/zinc/93/02/16/1070930216.db2.gz DKOMJUAHACYHER-FQEVSTJZSA-N 1 2 495.594 3.884 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](OC)C2)c[nH+]1 ZINC001313678768 1070931692 /nfs/dbraw/zinc/93/16/92/1070931692.db2.gz IEVKRYKUYRGCQW-OAQYLSRUSA-N 1 2 452.578 3.913 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)O[C@H](COC)C2)c[nH+]1 ZINC001313679760 1070936347 /nfs/dbraw/zinc/93/63/47/1070936347.db2.gz SSPCSYSTARNXNB-KNQAVFIVSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)c[nH+]1 ZINC001313680016 1070936714 /nfs/dbraw/zinc/93/67/14/1070936714.db2.gz LWMOLJKPOHAJJU-UHFFFAOYSA-N 1 2 461.614 3.961 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c[nH+]1 ZINC001313679973 1070936963 /nfs/dbraw/zinc/93/69/63/1070936963.db2.gz LJSOYXADUFXYNQ-CPJSRVTESA-N 1 2 456.635 3.713 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c[nH+]1 ZINC001313679977 1070937058 /nfs/dbraw/zinc/93/70/58/1070937058.db2.gz LJSOYXADUFXYNQ-NLFFAJNJSA-N 1 2 456.635 3.713 20 0 JHADLO CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001313689901 1070949465 /nfs/dbraw/zinc/94/94/65/1070949465.db2.gz NWXIZYFCDJZLBA-QFIPXVFZSA-N 1 2 454.644 3.862 20 0 JHADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC001309959658 1071029342 /nfs/dbraw/zinc/02/93/42/1071029342.db2.gz KYVYSQABUOPQQU-AWEZNQCLSA-N 1 2 458.506 3.707 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C ZINC001313777759 1071136267 /nfs/dbraw/zinc/13/62/67/1071136267.db2.gz ARXNUUJEVZNJLL-OAQYLSRUSA-N 1 2 481.689 3.919 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1CC(C)(C)C(=O)NC ZINC001313780149 1071144187 /nfs/dbraw/zinc/14/41/87/1071144187.db2.gz XKNDGJUEHBWQBC-UHFFFAOYSA-N 1 2 469.678 3.777 20 0 JHADLO CCN(C[C@@H]1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313787229 1071167785 /nfs/dbraw/zinc/16/77/85/1071167785.db2.gz MSFJHIHWUOKDFR-JTHBVZDNSA-N 1 2 494.606 3.679 20 0 JHADLO C[C@@H](c1cccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1)[NH+]1CCOCC1 ZINC001310290177 1071273356 /nfs/dbraw/zinc/27/33/56/1071273356.db2.gz IZOPHCBHYCJIIU-GPHNJDIKSA-N 1 2 458.603 3.989 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001313824432 1071291625 /nfs/dbraw/zinc/29/16/25/1071291625.db2.gz DFXNDOTUVWFDFH-UHFFFAOYSA-N 1 2 482.654 3.558 20 0 JHADLO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001313835135 1071313096 /nfs/dbraw/zinc/31/30/96/1071313096.db2.gz NAGJPVSKEVERGO-SFHVURJKSA-N 1 2 478.576 3.919 20 0 JHADLO Cn1cc(-c2nnc(N3CC[NH+](CCOc4ccccc4Cl)CC3)n2CCC(C)(F)F)cn1 ZINC001314904796 1071343083 /nfs/dbraw/zinc/34/30/83/1071343083.db2.gz ZGXUVTILICRBKG-UHFFFAOYSA-N 1 2 479.963 3.578 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371633 1071347437 /nfs/dbraw/zinc/34/74/37/1071347437.db2.gz IXXNROUPPBCBTR-WTPASJBYSA-N 1 2 455.502 3.645 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)c1 ZINC001310371633 1071347445 /nfs/dbraw/zinc/34/74/45/1071347445.db2.gz IXXNROUPPBCBTR-WTPASJBYSA-N 1 2 455.502 3.645 20 0 JHADLO C[N@H+](CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCCCC1 ZINC001310380369 1071354497 /nfs/dbraw/zinc/35/44/97/1071354497.db2.gz RNJJYOFIQOVFRE-UHFFFAOYSA-N 1 2 451.618 3.720 20 0 JHADLO C[N@@H+](CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCCCC1 ZINC001310380369 1071354509 /nfs/dbraw/zinc/35/45/09/1071354509.db2.gz RNJJYOFIQOVFRE-UHFFFAOYSA-N 1 2 451.618 3.720 20 0 JHADLO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314935315 1071383515 /nfs/dbraw/zinc/38/35/15/1071383515.db2.gz RXPXEWUKXXAMCV-OAQYLSRUSA-N 1 2 491.640 3.529 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314959653 1071432622 /nfs/dbraw/zinc/43/26/22/1071432622.db2.gz ZMCLVNKTQQTNRY-FQEVSTJZSA-N 1 2 493.631 3.506 20 0 JHADLO CCN1C[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)Oc2ccccc21 ZINC001313875442 1071434784 /nfs/dbraw/zinc/43/47/84/1071434784.db2.gz HZFFMRMUBIMULC-NRFANRHFSA-N 1 2 463.630 3.710 20 0 JHADLO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314964590 1071443739 /nfs/dbraw/zinc/44/37/39/1071443739.db2.gz FXGHQKNUMMIJPQ-AREMUKBSSA-N 1 2 462.598 3.657 20 0 JHADLO CNC(=O)[C@]1(C)CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314973459 1071462054 /nfs/dbraw/zinc/46/20/54/1071462054.db2.gz YRRCPWGRWZATGV-NBGIEHNGSA-N 1 2 474.600 3.554 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927579 1071580644 /nfs/dbraw/zinc/58/06/44/1071580644.db2.gz MJFSJFNUXNGQCZ-HSZRJFAPSA-N 1 2 452.647 3.738 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928127 1071582444 /nfs/dbraw/zinc/58/24/44/1071582444.db2.gz QOMXDUTYPCYDOS-BDTNDASRSA-N 1 2 490.643 3.919 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928128 1071582554 /nfs/dbraw/zinc/58/25/54/1071582554.db2.gz QOMXDUTYPCYDOS-BHIFYINESA-N 1 2 490.643 3.919 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928281 1071583286 /nfs/dbraw/zinc/58/32/86/1071583286.db2.gz TYSXSBDMKVDHQW-KCWPFWIISA-N 1 2 484.689 3.505 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313929322 1071586843 /nfs/dbraw/zinc/58/68/43/1071586843.db2.gz YYTKTVDVYMMPCZ-XPWALMASSA-N 1 2 486.730 3.830 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929067 1071586152 /nfs/dbraw/zinc/58/61/52/1071586152.db2.gz XDXHHADDGFPSJP-QFIPXVFZSA-N 1 2 486.730 3.832 20 0 JHADLO CCc1ccc(-c2nnc(N3CCC(OCCOC)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001305937964 1068243615 /nfs/dbraw/zinc/24/36/15/1068243615.db2.gz QTJLVEUVWBVWRF-UHFFFAOYSA-N 1 2 464.614 3.649 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305977489 1068317436 /nfs/dbraw/zinc/31/74/36/1068317436.db2.gz DVTUOKWPSNUJBQ-VXKWHMMOSA-N 1 2 453.631 3.933 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001305984818 1068333251 /nfs/dbraw/zinc/33/32/51/1068333251.db2.gz BYCTUHKSDDCAOV-DHUJRADRSA-N 1 2 496.681 3.688 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1c[nH+]ccc1OC ZINC001305986359 1068337344 /nfs/dbraw/zinc/33/73/44/1068337344.db2.gz DQPZDFNKSBAHQX-GOSISDBHSA-N 1 2 451.571 3.875 20 0 JHADLO CCc1nnc(N(C)C[C@H](C)Cc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306074463 1068507654 /nfs/dbraw/zinc/50/76/54/1068507654.db2.gz JUISAVXDEVAXKM-RTWAWAEBSA-N 1 2 478.641 3.833 20 0 JHADLO CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306133313 1068536284 /nfs/dbraw/zinc/53/62/84/1068536284.db2.gz FDUCYQGHBMEFDM-JTHBVZDNSA-N 1 2 498.672 3.607 20 0 JHADLO CCc1nnc(N2CCC(OCCC(C)C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306150600 1068552546 /nfs/dbraw/zinc/55/25/46/1068552546.db2.gz ZGQFQMUNHMGYCR-HXUWFJFHSA-N 1 2 456.635 3.540 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001306164274 1068559634 /nfs/dbraw/zinc/55/96/34/1068559634.db2.gz HCJNDHIDEQFBCB-VWNXMTODSA-N 1 2 496.700 3.601 20 0 JHADLO CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306312270 1068730965 /nfs/dbraw/zinc/73/09/65/1068730965.db2.gz GHFRFZSHQQRFKM-YSFYHYPLSA-N 1 2 490.693 3.644 20 0 JHADLO CC[C@@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306348149 1068785057 /nfs/dbraw/zinc/78/50/57/1068785057.db2.gz SQUICFDMGATHKT-BWKNWUBXSA-N 1 2 456.635 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CCS1 ZINC001306400712 1068859257 /nfs/dbraw/zinc/85/92/57/1068859257.db2.gz YHVRELCZYBWLPU-XUZZJYLKSA-N 1 2 459.660 3.987 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001306417427 1068907113 /nfs/dbraw/zinc/90/71/13/1068907113.db2.gz WITNFOGABBRPEK-LJQANCHMSA-N 1 2 468.627 3.803 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001306456464 1068981635 /nfs/dbraw/zinc/98/16/35/1068981635.db2.gz FIDJSRDDFZQNCR-WOJBJXKFSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001306456464 1068981646 /nfs/dbraw/zinc/98/16/46/1068981646.db2.gz FIDJSRDDFZQNCR-WOJBJXKFSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c[nH+]ccc2OC)C[C@@H](C)O1 ZINC001306456455 1068981953 /nfs/dbraw/zinc/98/19/53/1068981953.db2.gz FBDYHNYBHLNJEN-HOJAQTOUSA-N 1 2 486.617 3.806 20 0 JHADLO CC/C=C/Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306488232 1069026771 /nfs/dbraw/zinc/02/67/71/1069026771.db2.gz FULVFZTWYZSHHV-DPZZJQGRSA-N 1 2 487.048 3.610 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306497358 1069046492 /nfs/dbraw/zinc/04/64/92/1069046492.db2.gz UZLNXNBSNOFTKF-QTJGBDASSA-N 1 2 482.673 3.750 20 0 JHADLO O=C(Nc1ncc(Cc2ccccc2F)s1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310692745 1069115044 /nfs/dbraw/zinc/11/50/44/1069115044.db2.gz TZEDZUOFKXTCSD-HXUWFJFHSA-N 1 2 454.571 3.938 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306518182 1069131374 /nfs/dbraw/zinc/13/13/74/1069131374.db2.gz CMEUDFKQIMGTCW-FYYLOGMGSA-N 1 2 468.646 3.989 20 0 JHADLO Cc1csc([C@H](NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC001310815316 1069175376 /nfs/dbraw/zinc/17/53/76/1069175376.db2.gz CYRZQWZRWRJHLU-AEFFLSMTSA-N 1 2 456.534 3.987 20 0 JHADLO Cc1csc([C@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC001310815319 1069175446 /nfs/dbraw/zinc/17/54/46/1069175446.db2.gz CYRZQWZRWRJHLU-WMZOPIPTSA-N 1 2 456.534 3.987 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306562721 1069231471 /nfs/dbraw/zinc/23/14/71/1069231471.db2.gz AZXATIWMASBIAF-HBMCJLEFSA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001306562721 1069231483 /nfs/dbraw/zinc/23/14/83/1069231483.db2.gz AZXATIWMASBIAF-HBMCJLEFSA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306571687 1069239057 /nfs/dbraw/zinc/23/90/57/1069239057.db2.gz LSCYYJJERKIIKR-UXHICEINSA-N 1 2 481.645 3.581 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306580350 1069245075 /nfs/dbraw/zinc/24/50/75/1069245075.db2.gz KPVJYJNEZJSCKE-QPPBQGQZSA-N 1 2 465.646 3.838 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1 ZINC001311007088 1069246289 /nfs/dbraw/zinc/24/62/89/1069246289.db2.gz CKSUZSGNTCJEMJ-UHFFFAOYSA-N 1 2 459.616 3.638 20 0 JHADLO O=C(CCNC(=O)Nc1nc(C2CCCCCC2)cs1)N1CCN(c2cccc[nH+]2)CC1 ZINC001311100821 1069274095 /nfs/dbraw/zinc/27/40/95/1069274095.db2.gz AMVGKJHDWJWCDJ-UHFFFAOYSA-N 1 2 456.616 3.836 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311244549 1069306574 /nfs/dbraw/zinc/30/65/74/1069306574.db2.gz KKUBIBAIZWWONV-QZTJIDSGSA-N 1 2 453.768 3.999 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311244549 1069306587 /nfs/dbraw/zinc/30/65/87/1069306587.db2.gz KKUBIBAIZWWONV-QZTJIDSGSA-N 1 2 453.768 3.999 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC(F)(F)[C@H]4C3)c2c1C ZINC001164424114 718929267 /nfs/dbraw/zinc/92/92/67/718929267.db2.gz LJULYAFVTAYHJY-GJZGRUSLSA-N 1 2 466.554 3.633 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4C[C@@]43C(=O)OCC)c2c1C ZINC001164623186 719041878 /nfs/dbraw/zinc/04/18/78/719041878.db2.gz MMUFWFPBCLPHFD-GYCJOSAFSA-N 1 2 472.611 3.694 20 0 JHADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664200 719346805 /nfs/dbraw/zinc/34/68/05/719346805.db2.gz UCJGCFCVOOBQAR-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664200 719346808 /nfs/dbraw/zinc/34/68/08/719346808.db2.gz UCJGCFCVOOBQAR-UHFFFAOYSA-N 1 2 459.594 3.882 20 0 JHADLO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164672207 719498515 /nfs/dbraw/zinc/49/85/15/719498515.db2.gz GSJYYGMTGHYIPZ-UHFFFAOYSA-N 1 2 457.550 3.834 20 0 JHADLO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164672207 719498516 /nfs/dbraw/zinc/49/85/16/719498516.db2.gz GSJYYGMTGHYIPZ-UHFFFAOYSA-N 1 2 457.550 3.834 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)COc3cncc(Cl)n3)CC2)cc1 ZINC001164699616 719830404 /nfs/dbraw/zinc/83/04/04/719830404.db2.gz YEUSTHJTCMVWCP-UHFFFAOYSA-N 1 2 488.926 3.502 20 0 JHADLO COc1cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc(Cl)n1 ZINC001164695384 719830636 /nfs/dbraw/zinc/83/06/36/719830636.db2.gz CBXJVULYVJAICA-UHFFFAOYSA-N 1 2 488.926 3.588 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164706792 719847689 /nfs/dbraw/zinc/84/76/89/719847689.db2.gz YKKOLLYZGRFFBF-XMSQKQJNSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164706787 719847873 /nfs/dbraw/zinc/84/78/73/719847873.db2.gz YKKOLLYZGRFFBF-PGRDOPGGSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164699504 719856763 /nfs/dbraw/zinc/85/67/63/719856763.db2.gz FVZGSGRGEARHOM-VBKZILBWSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2Cl)nc(C)c1C ZINC001164703075 719873196 /nfs/dbraw/zinc/87/31/96/719873196.db2.gz JTPIGQPLQNJZIT-KOSHJBKYSA-N 1 2 458.990 3.647 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001164702228 719878209 /nfs/dbraw/zinc/87/82/09/719878209.db2.gz PGKSLUNMJYUZQP-ZHRRBRCNSA-N 1 2 481.380 3.808 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cs1 ZINC001164816050 720251091 /nfs/dbraw/zinc/25/10/91/720251091.db2.gz FQHKZAAUPZKGIO-RPWUZVMVSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cs1 ZINC001164816050 720251101 /nfs/dbraw/zinc/25/11/01/720251101.db2.gz FQHKZAAUPZKGIO-RPWUZVMVSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C5CCC5)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164821746 720384909 /nfs/dbraw/zinc/38/49/09/720384909.db2.gz IMHPOSNIORGZMU-UHFFFAOYSA-N 1 2 475.062 3.784 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C5CCC5)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164821746 720384914 /nfs/dbraw/zinc/38/49/14/720384914.db2.gz IMHPOSNIORGZMU-UHFFFAOYSA-N 1 2 475.062 3.784 20 0 JHADLO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164845679 720765282 /nfs/dbraw/zinc/76/52/82/720765282.db2.gz GCXPKFVGGACBMA-RRPNLBNLSA-N 1 2 495.627 3.814 20 0 JHADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768116 721275138 /nfs/dbraw/zinc/27/51/38/721275138.db2.gz JZIOGVGLYOJMEG-CQSZACIVSA-N 1 2 457.872 3.530 20 0 JHADLO CCOC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164767176 721275852 /nfs/dbraw/zinc/27/58/52/721275852.db2.gz HJSIOKIXAHUESY-OAHLLOKOSA-N 1 2 477.899 3.764 20 0 JHADLO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164891795 721474534 /nfs/dbraw/zinc/47/45/34/721474534.db2.gz FJGYSQWPBMUKHV-MUUNZHRXSA-N 1 2 468.605 3.592 20 0 JHADLO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164891795 721474538 /nfs/dbraw/zinc/47/45/38/721474538.db2.gz FJGYSQWPBMUKHV-MUUNZHRXSA-N 1 2 468.605 3.592 20 0 JHADLO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164891798 721474611 /nfs/dbraw/zinc/47/46/11/721474611.db2.gz FJGYSQWPBMUKHV-NDEPHWFRSA-N 1 2 468.605 3.592 20 0 JHADLO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164891798 721474616 /nfs/dbraw/zinc/47/46/16/721474616.db2.gz FJGYSQWPBMUKHV-NDEPHWFRSA-N 1 2 468.605 3.592 20 0 JHADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912024 721778838 /nfs/dbraw/zinc/77/88/38/721778838.db2.gz JIIYSASUKKSBQN-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912024 721778840 /nfs/dbraw/zinc/77/88/40/721778840.db2.gz JIIYSASUKKSBQN-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO c1ccc(-c2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914049 721781158 /nfs/dbraw/zinc/78/11/58/721781158.db2.gz AJDPBINJDKVAPS-NDEPHWFRSA-N 1 2 467.573 3.800 20 0 JHADLO c1ccc(-c2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914049 721781160 /nfs/dbraw/zinc/78/11/60/721781160.db2.gz AJDPBINJDKVAPS-NDEPHWFRSA-N 1 2 467.573 3.800 20 0 JHADLO Clc1cc(OCc2ccccc2)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917918 721791714 /nfs/dbraw/zinc/79/17/14/721791714.db2.gz ZWSYZFOCPBHJMA-SANMLTNESA-N 1 2 480.996 3.817 20 0 JHADLO Clc1cc(OCc2ccccc2)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917918 721791716 /nfs/dbraw/zinc/79/17/16/721791716.db2.gz ZWSYZFOCPBHJMA-SANMLTNESA-N 1 2 480.996 3.817 20 0 JHADLO c1ccc2c(c1)cccc2-c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914302 721796740 /nfs/dbraw/zinc/79/67/40/721796740.db2.gz LJWDBCWBCQHUAS-NDEPHWFRSA-N 1 2 467.573 3.800 20 0 JHADLO c1ccc2c(c1)cccc2-c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914302 721796744 /nfs/dbraw/zinc/79/67/44/721796744.db2.gz LJWDBCWBCQHUAS-NDEPHWFRSA-N 1 2 467.573 3.800 20 0 JHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164916708 721814057 /nfs/dbraw/zinc/81/40/57/721814057.db2.gz FYYIZXFZSZGDBT-UHFFFAOYSA-N 1 2 464.017 3.592 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008577 722273663 /nfs/dbraw/zinc/27/36/63/722273663.db2.gz LEBZDAQOIAWORV-FCTLNWHPSA-N 1 2 498.631 3.833 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008577 722273665 /nfs/dbraw/zinc/27/36/65/722273665.db2.gz LEBZDAQOIAWORV-FCTLNWHPSA-N 1 2 498.631 3.833 20 0 JHADLO CCC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001306627231 1069323772 /nfs/dbraw/zinc/32/37/72/1069323772.db2.gz SXNHNZPZYJBQOD-KNQAVFIVSA-N 1 2 470.568 3.850 20 0 JHADLO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001306627597 1069324344 /nfs/dbraw/zinc/32/43/44/1069324344.db2.gz FWDGYMIJVSPTGT-OAQYLSRUSA-N 1 2 469.659 3.929 20 0 JHADLO COc1c(C)c[nH+]c(CNC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1C ZINC001311334467 1069328120 /nfs/dbraw/zinc/32/81/20/1069328120.db2.gz YDBHETJHGHFDEM-MRXNPFEDSA-N 1 2 456.547 3.543 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311373424 1069349189 /nfs/dbraw/zinc/34/91/89/1069349189.db2.gz KMULULMITJVRKL-VQIMIIECSA-N 1 2 454.974 3.878 20 0 JHADLO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306650945 1069362469 /nfs/dbraw/zinc/36/24/69/1069362469.db2.gz ZMDPARBBQSXBIT-NRFANRHFSA-N 1 2 490.643 3.569 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001311448605 1069383371 /nfs/dbraw/zinc/38/33/71/1069383371.db2.gz RHRVZPVOXKXKHI-QGZVFWFLSA-N 1 2 450.383 3.652 20 0 JHADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@H](C)O1 ZINC001311510832 1069415897 /nfs/dbraw/zinc/41/58/97/1069415897.db2.gz LHGJUIRKJQXCII-GJZGRUSLSA-N 1 2 455.521 3.596 20 0 JHADLO O=C(NC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1 ZINC001311532660 1069426533 /nfs/dbraw/zinc/42/65/33/1069426533.db2.gz KCKMAUYRSBXTRW-QFIPXVFZSA-N 1 2 450.587 3.958 20 0 JHADLO CCCCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c[nH+]ccc1OC ZINC001306695465 1069432466 /nfs/dbraw/zinc/43/24/66/1069432466.db2.gz OXNHIMKOAYXISP-UHFFFAOYSA-N 1 2 450.591 3.530 20 0 JHADLO O=C(NCCOCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC001311544612 1069432465 /nfs/dbraw/zinc/43/24/65/1069432465.db2.gz CTKDMCWXLKOTIH-UHFFFAOYSA-N 1 2 452.382 3.842 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC001311666591 1069495204 /nfs/dbraw/zinc/49/52/04/1069495204.db2.gz RRBHLXJFSWSLJL-UHFFFAOYSA-N 1 2 458.534 3.618 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C3CCCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306735126 1069499477 /nfs/dbraw/zinc/49/94/77/1069499477.db2.gz WMRPVANGJICUEH-ICSRJNTNSA-N 1 2 454.619 3.909 20 0 JHADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306740752 1069514643 /nfs/dbraw/zinc/51/46/43/1069514643.db2.gz UNYJBLCCADBSOA-JOCHJYFZSA-N 1 2 461.614 3.809 20 0 JHADLO CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC001311714182 1069515580 /nfs/dbraw/zinc/51/55/80/1069515580.db2.gz IZFCZJHVPDQOET-FQEVSTJZSA-N 1 2 459.635 3.831 20 0 JHADLO CCOC(=O)c1csc(CC2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC001311767018 1069539257 /nfs/dbraw/zinc/53/92/57/1069539257.db2.gz ZPHYSXWPTBOFMY-UHFFFAOYSA-N 1 2 453.568 3.670 20 0 JHADLO CC(C)C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836885 1069572084 /nfs/dbraw/zinc/57/20/84/1069572084.db2.gz FWXPFEAGRKXGJO-UGKGYDQZSA-N 1 2 457.537 3.708 20 0 JHADLO CC(C)C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836885 1069572087 /nfs/dbraw/zinc/57/20/87/1069572087.db2.gz FWXPFEAGRKXGJO-UGKGYDQZSA-N 1 2 457.537 3.708 20 0 JHADLO C[C@H]([C@H](C)NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)[NH+]1CCOCC1 ZINC001311912567 1069609738 /nfs/dbraw/zinc/60/97/38/1069609738.db2.gz FBMTZZXWEYBLKL-RBUKOAKNSA-N 1 2 451.571 3.508 20 0 JHADLO CCOc1c(OC)cc(Cn2c(C(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1OC ZINC001314155656 1069625416 /nfs/dbraw/zinc/62/54/16/1069625416.db2.gz AQPLWTNLJDNELE-UHFFFAOYSA-N 1 2 480.613 3.889 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306811437 1069631089 /nfs/dbraw/zinc/63/10/89/1069631089.db2.gz FZMUXISXDIMYTR-IBGZPJMESA-N 1 2 470.568 3.679 20 0 JHADLO CCOc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314171150 1069684685 /nfs/dbraw/zinc/68/46/85/1069684685.db2.gz YORLWPWKMKTRPT-JOCHJYFZSA-N 1 2 480.613 3.723 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176424 1069706171 /nfs/dbraw/zinc/70/61/71/1069706171.db2.gz SHMUUESPUCHKSF-FDDCHVKYSA-N 1 2 480.613 3.723 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176426 1069706406 /nfs/dbraw/zinc/70/64/06/1069706406.db2.gz SHMUUESPUCHKSF-JPYJTQIMSA-N 1 2 480.613 3.723 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176993 1069709817 /nfs/dbraw/zinc/70/98/17/1069709817.db2.gz AESWEDGFXAKPGC-QGZVFWFLSA-N 1 2 468.627 3.803 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001314176992 1069709881 /nfs/dbraw/zinc/70/98/81/1069709881.db2.gz AESWEDGFXAKPGC-KRWDZBQOSA-N 1 2 468.627 3.803 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@@H](C(=O)OC(C)(C)C)[C@H](C4CC4)C3)CC2)cc1 ZINC001312096785 1069719123 /nfs/dbraw/zinc/71/91/23/1069719123.db2.gz IJFXPZYXXZCBHD-XZOQPEGZSA-N 1 2 456.631 3.731 20 0 JHADLO CCCN(CCn1c(C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)C(=O)OC(C)(C)C ZINC001307014299 1069720128 /nfs/dbraw/zinc/72/01/28/1069720128.db2.gz BMOMXQNXNFMRRK-UHFFFAOYSA-N 1 2 490.624 3.704 20 0 JHADLO CCOc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314215105 1069845756 /nfs/dbraw/zinc/84/57/56/1069845756.db2.gz HBSOSYLPHSIXNY-ORFBVSJDSA-N 1 2 471.646 3.991 20 0 JHADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001312333705 1069869958 /nfs/dbraw/zinc/86/99/58/1069869958.db2.gz MBBCYDCHQBMPDH-RCZVLFRGSA-N 1 2 453.627 3.721 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314223660 1069881536 /nfs/dbraw/zinc/88/15/36/1069881536.db2.gz WLECDMVZCIKRNN-FQEVSTJZSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314223660 1069881557 /nfs/dbraw/zinc/88/15/57/1069881557.db2.gz WLECDMVZCIKRNN-FQEVSTJZSA-N 1 2 457.619 3.603 20 0 JHADLO CC[C@H](c1nnc(SCc2ccc(Cl)cc2OC)n1CCN1CCOCC1)[NH+](C)C ZINC001307241896 1069912363 /nfs/dbraw/zinc/91/23/63/1069912363.db2.gz XUPBHVIQQCSNST-GOSISDBHSA-N 1 2 454.040 3.577 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)CC2)nc1 ZINC001312424874 1069927983 /nfs/dbraw/zinc/92/79/83/1069927983.db2.gz FAYHWERRWUERCC-PKTZIBPZSA-N 1 2 458.990 3.705 20 0 JHADLO COc1ccc(C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)CC2)nc1 ZINC001312424874 1069927998 /nfs/dbraw/zinc/92/79/98/1069927998.db2.gz FAYHWERRWUERCC-PKTZIBPZSA-N 1 2 458.990 3.705 20 0 JHADLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425760 1069928104 /nfs/dbraw/zinc/92/81/04/1069928104.db2.gz LOKPUSQYKABCLK-XFEAKLGESA-N 1 2 456.974 3.657 20 0 JHADLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425760 1069928112 /nfs/dbraw/zinc/92/81/12/1069928112.db2.gz LOKPUSQYKABCLK-XFEAKLGESA-N 1 2 456.974 3.657 20 0 JHADLO O=C(c1ccccc1I)N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC001307423029 1069976969 /nfs/dbraw/zinc/97/69/69/1069976969.db2.gz CIFCNYJDPAVPSQ-UHFFFAOYSA-N 1 2 457.315 3.797 20 0 JHADLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1 ZINC001307428121 1069979735 /nfs/dbraw/zinc/97/97/35/1069979735.db2.gz DBDCKEABYPBGMK-ZDUSSCGKSA-N 1 2 451.445 3.528 20 0 JHADLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1 ZINC001307428121 1069979745 /nfs/dbraw/zinc/97/97/45/1069979745.db2.gz DBDCKEABYPBGMK-ZDUSSCGKSA-N 1 2 451.445 3.528 20 0 JHADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438818 1069984082 /nfs/dbraw/zinc/98/40/82/1069984082.db2.gz OLRRQUXCZJQBNR-YLJYHZDGSA-N 1 2 450.626 3.605 20 0 JHADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438818 1069984086 /nfs/dbraw/zinc/98/40/86/1069984086.db2.gz OLRRQUXCZJQBNR-YLJYHZDGSA-N 1 2 450.626 3.605 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)[C@H](C)C2)cc1 ZINC001307449254 1069989667 /nfs/dbraw/zinc/98/96/67/1069989667.db2.gz BUQPLFGLYZOYBY-VLIAUNLRSA-N 1 2 451.336 3.619 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)[C@H](C)C2)cc1 ZINC001307449254 1069989678 /nfs/dbraw/zinc/98/96/78/1069989678.db2.gz BUQPLFGLYZOYBY-VLIAUNLRSA-N 1 2 451.336 3.619 20 0 JHADLO OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC001307465710 1070001455 /nfs/dbraw/zinc/00/14/55/1070001455.db2.gz FTXMFWYSVIINMD-LJQANCHMSA-N 1 2 456.755 3.796 20 0 JHADLO O=C(C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1)NCCc1cccc(Cl)c1Cl ZINC001307478176 1070007400 /nfs/dbraw/zinc/00/74/00/1070007400.db2.gz JCUNLVNAVAFDRU-UHFFFAOYSA-N 1 2 450.366 3.859 20 0 JHADLO O=C(C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1)NCCc1cccc(Cl)c1Cl ZINC001307478176 1070007412 /nfs/dbraw/zinc/00/74/12/1070007412.db2.gz JCUNLVNAVAFDRU-UHFFFAOYSA-N 1 2 450.366 3.859 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001312556999 1070011756 /nfs/dbraw/zinc/01/17/56/1070011756.db2.gz UJDPMZSCEVQWDV-ZNLUXHQJSA-N 1 2 458.603 3.916 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001312556993 1070011807 /nfs/dbraw/zinc/01/18/07/1070011807.db2.gz UJDPMZSCEVQWDV-AGHHOFFYSA-N 1 2 458.603 3.916 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1 ZINC001307508844 1070024339 /nfs/dbraw/zinc/02/43/39/1070024339.db2.gz QFUFVKYZOVCSLC-UHFFFAOYSA-N 1 2 459.598 3.597 20 0 JHADLO O=C(CN(CC[NH+]1CCOCC1)c1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001307513755 1070027954 /nfs/dbraw/zinc/02/79/54/1070027954.db2.gz MVRJQFBJXLSZMX-UHFFFAOYSA-N 1 2 454.571 3.650 20 0 JHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001307524368 1070033793 /nfs/dbraw/zinc/03/37/93/1070033793.db2.gz WALAHPOMKHWDEJ-CQSZACIVSA-N 1 2 458.340 3.674 20 0 JHADLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC001307524368 1070033812 /nfs/dbraw/zinc/03/38/12/1070033812.db2.gz WALAHPOMKHWDEJ-CQSZACIVSA-N 1 2 458.340 3.674 20 0 JHADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC001307558246 1070052062 /nfs/dbraw/zinc/05/20/62/1070052062.db2.gz CFGFOMOPUYQFNB-MRXNPFEDSA-N 1 2 456.564 3.904 20 0 JHADLO C[C@H](CCc1ccc(I)cc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001312628323 1070051383 /nfs/dbraw/zinc/05/13/83/1070051383.db2.gz DLCYPCDQOWYGGF-OAHLLOKOSA-N 1 2 452.340 3.856 20 0 JHADLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C(C)(C)C)c1 ZINC001307567216 1070055212 /nfs/dbraw/zinc/05/52/12/1070055212.db2.gz IMIVTTIZQJGPME-UHFFFAOYSA-N 1 2 459.612 3.982 20 0 JHADLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C(C)(C)C)c1 ZINC001307567216 1070055225 /nfs/dbraw/zinc/05/52/25/1070055225.db2.gz IMIVTTIZQJGPME-UHFFFAOYSA-N 1 2 459.612 3.982 20 0 JHADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2cc(Br)cn2C)c(OC)c1 ZINC001307582865 1070063790 /nfs/dbraw/zinc/06/37/90/1070063790.db2.gz JSKQMBPOHDUEJB-IBGZPJMESA-N 1 2 450.377 3.600 20 0 JHADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2cc(Br)cn2C)c(OC)c1 ZINC001307582865 1070063803 /nfs/dbraw/zinc/06/38/03/1070063803.db2.gz JSKQMBPOHDUEJB-IBGZPJMESA-N 1 2 450.377 3.600 20 0 JHADLO CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001314295338 1070079007 /nfs/dbraw/zinc/07/90/07/1070079007.db2.gz KJVMBWKWOZTTAA-LJQANCHMSA-N 1 2 452.603 3.995 20 0 JHADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccccc1 ZINC001307617382 1070083084 /nfs/dbraw/zinc/08/30/84/1070083084.db2.gz QQNJGYIAPHHLHO-FQEVSTJZSA-N 1 2 454.514 3.572 20 0 JHADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCCSC1 ZINC001314303646 1070089332 /nfs/dbraw/zinc/08/93/32/1070089332.db2.gz JWFPJDRMCKNDCR-RTBURBONSA-N 1 2 465.689 3.529 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715872 1070092064 /nfs/dbraw/zinc/09/20/64/1070092064.db2.gz BNNALBCMNDSVBF-APWZRJJASA-N 1 2 454.974 3.781 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715872 1070092077 /nfs/dbraw/zinc/09/20/77/1070092077.db2.gz BNNALBCMNDSVBF-APWZRJJASA-N 1 2 454.974 3.781 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](C)c3ccc(-n4cccn4)c(F)c3)C2)cc1 ZINC001312746572 1070100912 /nfs/dbraw/zinc/10/09/12/1070100912.db2.gz MSGROGHBAPOTDJ-KNQAVFIVSA-N 1 2 451.546 3.581 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](C)c3ccc(-n4cccn4)c(F)c3)C2)cc1 ZINC001312746572 1070100918 /nfs/dbraw/zinc/10/09/18/1070100918.db2.gz MSGROGHBAPOTDJ-KNQAVFIVSA-N 1 2 451.546 3.581 20 0 JHADLO CC[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307649200 1070101926 /nfs/dbraw/zinc/10/19/26/1070101926.db2.gz GTOJDDFDNZLUMP-JKSUJKDBSA-N 1 2 453.605 3.715 20 0 JHADLO CC[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307649200 1070101929 /nfs/dbraw/zinc/10/19/29/1070101929.db2.gz GTOJDDFDNZLUMP-JKSUJKDBSA-N 1 2 453.605 3.715 20 0 JHADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)Cc2ccccc21 ZINC001307649485 1070101943 /nfs/dbraw/zinc/10/19/43/1070101943.db2.gz ZHVSUVJUBZRIMH-UHFFFAOYSA-N 1 2 455.624 3.983 20 0 JHADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)Cc2ccccc21 ZINC001307649485 1070101947 /nfs/dbraw/zinc/10/19/47/1070101947.db2.gz ZHVSUVJUBZRIMH-UHFFFAOYSA-N 1 2 455.624 3.983 20 0 JHADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC001307655820 1070105326 /nfs/dbraw/zinc/10/53/26/1070105326.db2.gz AASMKJNUGAJPBY-INIZCTEOSA-N 1 2 450.630 3.560 20 0 JHADLO CCOCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314321646 1070107274 /nfs/dbraw/zinc/10/72/74/1070107274.db2.gz NPYWKHNBSJDGAK-OAQYLSRUSA-N 1 2 479.547 3.895 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314323985 1070109777 /nfs/dbraw/zinc/10/97/77/1070109777.db2.gz AEZGLMQYHBQUPI-UHFFFAOYSA-N 1 2 494.562 3.842 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)CC2)C1 ZINC001312768486 1070112804 /nfs/dbraw/zinc/11/28/04/1070112804.db2.gz PVEAKQITNMOWRM-XPWALMASSA-N 1 2 456.631 3.907 20 0 JHADLO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC001307676240 1070118706 /nfs/dbraw/zinc/11/87/06/1070118706.db2.gz WSUNVKXTQINZGZ-MRXNPFEDSA-N 1 2 455.374 3.648 20 0 JHADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001307726473 1070151440 /nfs/dbraw/zinc/15/14/40/1070151440.db2.gz ZOFVHHFRSMKBKO-UHFFFAOYSA-N 1 2 453.498 3.723 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307727455 1070151826 /nfs/dbraw/zinc/15/18/26/1070151826.db2.gz UQNOEIRPXWIJFZ-FOIQADDNSA-N 1 2 453.402 3.768 20 0 JHADLO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001307731904 1070155229 /nfs/dbraw/zinc/15/52/29/1070155229.db2.gz MUNRKTHCYUOENU-VXKWHMMOSA-N 1 2 459.594 3.774 20 0 JHADLO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001307731904 1070155237 /nfs/dbraw/zinc/15/52/37/1070155237.db2.gz MUNRKTHCYUOENU-VXKWHMMOSA-N 1 2 459.594 3.774 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001307754483 1070168642 /nfs/dbraw/zinc/16/86/42/1070168642.db2.gz XBUJYEOPSIDVHG-YLJYHZDGSA-N 1 2 451.995 3.688 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001307754483 1070168648 /nfs/dbraw/zinc/16/86/48/1070168648.db2.gz XBUJYEOPSIDVHG-YLJYHZDGSA-N 1 2 451.995 3.688 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758795 1070170367 /nfs/dbraw/zinc/17/03/67/1070170367.db2.gz UJQKAOHUYTYNAF-KBXCAEBGSA-N 1 2 453.436 3.509 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758795 1070170380 /nfs/dbraw/zinc/17/03/80/1070170380.db2.gz UJQKAOHUYTYNAF-KBXCAEBGSA-N 1 2 453.436 3.509 20 0 JHADLO CCOCc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314363664 1070189649 /nfs/dbraw/zinc/18/96/49/1070189649.db2.gz ZTUVDDXQCCCLJZ-CVDCTZTESA-N 1 2 451.562 3.791 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@](CO)(Cc4ccccc4)C3)n2)CC1 ZINC001307805103 1070191356 /nfs/dbraw/zinc/19/13/56/1070191356.db2.gz TYASYPSSIBQXLP-VWLOTQADSA-N 1 2 456.656 3.631 20 0 JHADLO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806343 1070192437 /nfs/dbraw/zinc/19/24/37/1070192437.db2.gz XRHFMCXEFMKMDR-QFBILLFUSA-N 1 2 456.608 3.898 20 0 JHADLO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806343 1070192442 /nfs/dbraw/zinc/19/24/42/1070192442.db2.gz XRHFMCXEFMKMDR-QFBILLFUSA-N 1 2 456.608 3.898 20 0 JHADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC001307815471 1070195909 /nfs/dbraw/zinc/19/59/09/1070195909.db2.gz CXLURRDQJFITDZ-DEOSSOPVSA-N 1 2 453.591 3.729 20 0 JHADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC001307815471 1070195916 /nfs/dbraw/zinc/19/59/16/1070195916.db2.gz CXLURRDQJFITDZ-DEOSSOPVSA-N 1 2 453.591 3.729 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001307817949 1070198676 /nfs/dbraw/zinc/19/86/76/1070198676.db2.gz OKROQGNYTTZBLC-INIZCTEOSA-N 1 2 457.402 3.559 20 0 JHADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC001307822061 1070201260 /nfs/dbraw/zinc/20/12/60/1070201260.db2.gz RUTDRABQOGWFAE-KRWDZBQOSA-N 1 2 459.015 3.998 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001307884618 1070224153 /nfs/dbraw/zinc/22/41/53/1070224153.db2.gz RPGZDCOCECTNMB-PUZWTLIVSA-N 1 2 472.541 3.839 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001307884618 1070224165 /nfs/dbraw/zinc/22/41/65/1070224165.db2.gz RPGZDCOCECTNMB-PUZWTLIVSA-N 1 2 472.541 3.839 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC001307911036 1070235967 /nfs/dbraw/zinc/23/59/67/1070235967.db2.gz UKZKHRLTVCYKTH-GRDNDAEWSA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC001307911036 1070235976 /nfs/dbraw/zinc/23/59/76/1070235976.db2.gz UKZKHRLTVCYKTH-GRDNDAEWSA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC001307911268 1070236010 /nfs/dbraw/zinc/23/60/10/1070236010.db2.gz XRKCUTJFEAQMMT-LZWOXQAQSA-N 1 2 457.884 3.888 20 0 JHADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC001307911268 1070236018 /nfs/dbraw/zinc/23/60/18/1070236018.db2.gz XRKCUTJFEAQMMT-LZWOXQAQSA-N 1 2 457.884 3.888 20 0 JHADLO COc1ccc2c(c1)C[C@H](C[N@@H+]1CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C1)O2 ZINC001307916071 1070238571 /nfs/dbraw/zinc/23/85/71/1070238571.db2.gz ZXZGVRXUARRQJW-AABGKKOBSA-N 1 2 452.448 3.674 20 0 JHADLO COc1ccc2c(c1)C[C@H](C[N@H+]1CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C1)O2 ZINC001307916071 1070238583 /nfs/dbraw/zinc/23/85/83/1070238583.db2.gz ZXZGVRXUARRQJW-AABGKKOBSA-N 1 2 452.448 3.674 20 0 JHADLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1 ZINC001307926141 1070245753 /nfs/dbraw/zinc/24/57/53/1070245753.db2.gz NMTXUWNOOIEIHX-AEFFLSMTSA-N 1 2 474.237 3.918 20 0 JHADLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1 ZINC001307926141 1070245765 /nfs/dbraw/zinc/24/57/65/1070245765.db2.gz NMTXUWNOOIEIHX-AEFFLSMTSA-N 1 2 474.237 3.918 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)sc2c1CC[C@@H](C)C2 ZINC001307934461 1070248633 /nfs/dbraw/zinc/24/86/33/1070248633.db2.gz LNWUGDVVRDLEMP-NSYGIPOTSA-N 1 2 456.608 3.972 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088822 1070246476 /nfs/dbraw/zinc/24/64/76/1070246476.db2.gz KPAGZOVWZVFTSN-IZZNHLLZSA-N 1 2 457.622 3.523 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088822 1070246487 /nfs/dbraw/zinc/24/64/87/1070246487.db2.gz KPAGZOVWZVFTSN-IZZNHLLZSA-N 1 2 457.622 3.523 20 0 JHADLO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)sc2c1CC[C@@H](C)C2 ZINC001307934461 1070248648 /nfs/dbraw/zinc/24/86/48/1070248648.db2.gz LNWUGDVVRDLEMP-NSYGIPOTSA-N 1 2 456.608 3.972 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001314390862 1070244843 /nfs/dbraw/zinc/24/48/43/1070244843.db2.gz ASUYPQLJEJGIJO-OAQYLSRUSA-N 1 2 493.509 3.861 20 0 JHADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939480 1070250261 /nfs/dbraw/zinc/25/02/61/1070250261.db2.gz PXWDEVUXEDBYOR-XJKSGUPXSA-N 1 2 458.340 3.529 20 0 JHADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939480 1070250277 /nfs/dbraw/zinc/25/02/77/1070250277.db2.gz PXWDEVUXEDBYOR-XJKSGUPXSA-N 1 2 458.340 3.529 20 0 JHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1C ZINC001307941650 1070252281 /nfs/dbraw/zinc/25/22/81/1070252281.db2.gz PKJLJPMVTVFGLD-CRAIPNDOSA-N 1 2 455.521 3.918 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001307970486 1070263339 /nfs/dbraw/zinc/26/33/39/1070263339.db2.gz UHNASBXAYUPWLH-GFCCVEGCSA-N 1 2 459.715 3.834 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001307970486 1070263354 /nfs/dbraw/zinc/26/33/54/1070263354.db2.gz UHNASBXAYUPWLH-GFCCVEGCSA-N 1 2 459.715 3.834 20 0 JHADLO O=c1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC001307977597 1070266066 /nfs/dbraw/zinc/26/60/66/1070266066.db2.gz RXXCGJIPVBKXKC-VQIMIIECSA-N 1 2 479.172 3.527 20 0 JHADLO O=c1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC001307977597 1070266078 /nfs/dbraw/zinc/26/60/78/1070266078.db2.gz RXXCGJIPVBKXKC-VQIMIIECSA-N 1 2 479.172 3.527 20 0 JHADLO COc1cccc([C@H](O)C2CC[NH+](CC(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001307978013 1070266464 /nfs/dbraw/zinc/26/64/64/1070266464.db2.gz LGSDYHDMXYHZGX-DNQXCXABSA-N 1 2 451.592 3.803 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169996 1070279003 /nfs/dbraw/zinc/27/90/03/1070279003.db2.gz PQOPSSZSORWSHE-PKTZIBPZSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169996 1070279014 /nfs/dbraw/zinc/27/90/14/1070279014.db2.gz PQOPSSZSORWSHE-PKTZIBPZSA-N 1 2 459.631 3.882 20 0 JHADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313174126 1070280994 /nfs/dbraw/zinc/28/09/94/1070280994.db2.gz FOBAZCHGVKSRBI-SQNIBIBYSA-N 1 2 456.509 3.660 20 0 JHADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313174126 1070281014 /nfs/dbraw/zinc/28/10/14/1070281014.db2.gz FOBAZCHGVKSRBI-SQNIBIBYSA-N 1 2 456.509 3.660 20 0 JHADLO CCOC(=O)c1sc(C2CC[NH+](CC(=O)NCCOc3c(C)cccc3C)CC2)nc1C ZINC001308028449 1070285460 /nfs/dbraw/zinc/28/54/60/1070285460.db2.gz LRVLUTNNBNEREW-UHFFFAOYSA-N 1 2 459.612 3.620 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001313177900 1070282969 /nfs/dbraw/zinc/28/29/69/1070282969.db2.gz BHHVCRCQTBRVEK-HSWWXKJFSA-N 1 2 455.624 3.684 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001313177900 1070282975 /nfs/dbraw/zinc/28/29/75/1070282975.db2.gz BHHVCRCQTBRVEK-HSWWXKJFSA-N 1 2 455.624 3.684 20 0 JHADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001308064802 1070298930 /nfs/dbraw/zinc/29/89/30/1070298930.db2.gz UEWMHFXWEOYKJU-OAHLLOKOSA-N 1 2 452.214 3.693 20 0 JHADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001308064802 1070298944 /nfs/dbraw/zinc/29/89/44/1070298944.db2.gz UEWMHFXWEOYKJU-OAHLLOKOSA-N 1 2 452.214 3.693 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314432187 1070316007 /nfs/dbraw/zinc/31/60/07/1070316007.db2.gz RGFFRVGJWJHJRC-AZUAARDMSA-N 1 2 468.577 3.929 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314432194 1070316473 /nfs/dbraw/zinc/31/64/73/1070316473.db2.gz RGFFRVGJWJHJRC-UYAOXDASSA-N 1 2 468.577 3.929 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314439447 1070327623 /nfs/dbraw/zinc/32/76/23/1070327623.db2.gz CVZQUBVOZWTKCW-KNQAVFIVSA-N 1 2 470.568 3.708 20 0 JHADLO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001314464992 1070375725 /nfs/dbraw/zinc/37/57/25/1070375725.db2.gz RWINOMUMJICFJF-OAHLLOKOSA-N 1 2 462.396 3.591 20 0 JHADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566501 1070390858 /nfs/dbraw/zinc/39/08/58/1070390858.db2.gz CVESGVXLMIBILI-MSOLQXFVSA-N 1 2 453.530 3.963 20 0 JHADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001308566501 1070390871 /nfs/dbraw/zinc/39/08/71/1070390871.db2.gz CVESGVXLMIBILI-MSOLQXFVSA-N 1 2 453.530 3.963 20 0 JHADLO CCCn1nc(-c2nnc(N(CC(C)C)C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001313454703 1070389689 /nfs/dbraw/zinc/38/96/89/1070389689.db2.gz XFQPAHRXFYOYAK-NRFANRHFSA-N 1 2 495.672 3.657 20 0 JHADLO CCCn1nc(-c2nnc(N(CC(C)C)C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001313454703 1070389704 /nfs/dbraw/zinc/38/97/04/1070389704.db2.gz XFQPAHRXFYOYAK-NRFANRHFSA-N 1 2 495.672 3.657 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1)c1ccccc1 ZINC001308600783 1070398378 /nfs/dbraw/zinc/39/83/78/1070398378.db2.gz WXUDUQAIUOWUAA-KRWDZBQOSA-N 1 2 454.372 3.672 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1)c1ccccc1 ZINC001308600783 1070398393 /nfs/dbraw/zinc/39/83/93/1070398393.db2.gz WXUDUQAIUOWUAA-KRWDZBQOSA-N 1 2 454.372 3.672 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001313457374 1070399175 /nfs/dbraw/zinc/39/91/75/1070399175.db2.gz KEBBUWATYROGCX-NRFANRHFSA-N 1 2 453.635 3.578 20 0 JHADLO COc1cccc(COc2ccc(C[NH+]3CCN(CC(=O)NC4CCCCC4)CC3)cc2)c1 ZINC001308618780 1070402571 /nfs/dbraw/zinc/40/25/71/1070402571.db2.gz JPSSLKWWXIXOCT-UHFFFAOYSA-N 1 2 451.611 3.841 20 0 JHADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC001308622092 1070404065 /nfs/dbraw/zinc/40/40/65/1070404065.db2.gz HVEQYZNIEQCHPG-LJQANCHMSA-N 1 2 458.050 3.952 20 0 JHADLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001308628816 1070405793 /nfs/dbraw/zinc/40/57/93/1070405793.db2.gz VYNLIMPZBZUSEZ-SFHVURJKSA-N 1 2 450.599 3.806 20 0 JHADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC001308650111 1070409918 /nfs/dbraw/zinc/40/99/18/1070409918.db2.gz KABFDQQFRSEKQU-QGZVFWFLSA-N 1 2 454.423 3.826 20 0 JHADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001308638282 1070408348 /nfs/dbraw/zinc/40/83/48/1070408348.db2.gz DCXBXOFPMVESNM-HXUWFJFHSA-N 1 2 456.534 3.718 20 0 JHADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001308638282 1070408355 /nfs/dbraw/zinc/40/83/55/1070408355.db2.gz DCXBXOFPMVESNM-HXUWFJFHSA-N 1 2 456.534 3.718 20 0 JHADLO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308732168 1070427617 /nfs/dbraw/zinc/42/76/17/1070427617.db2.gz QPAHXRBGCHMHSQ-SQNIBIBYSA-N 1 2 451.571 3.873 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001313465305 1070432655 /nfs/dbraw/zinc/43/26/55/1070432655.db2.gz NNTPLWKFYYRRNB-QHCPKHFHSA-N 1 2 477.657 3.902 20 0 JHADLO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907630 1070457610 /nfs/dbraw/zinc/45/76/10/1070457610.db2.gz XLSYQIMZXAKIRQ-KBPBESRZSA-N 1 2 453.356 3.664 20 0 JHADLO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907630 1070457614 /nfs/dbraw/zinc/45/76/14/1070457614.db2.gz XLSYQIMZXAKIRQ-KBPBESRZSA-N 1 2 453.356 3.664 20 0 JHADLO O=S(=O)(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC001309157910 1070575635 /nfs/dbraw/zinc/57/56/35/1070575635.db2.gz UVEJIAHYIZTWRB-IBGZPJMESA-N 1 2 450.988 3.834 20 0 JHADLO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC001309157910 1070575651 /nfs/dbraw/zinc/57/56/51/1070575651.db2.gz UVEJIAHYIZTWRB-IBGZPJMESA-N 1 2 450.988 3.834 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2)cc(OC)c1 ZINC001309289152 1070671607 /nfs/dbraw/zinc/67/16/07/1070671607.db2.gz BYDWWPSTSNLPCR-JOCHJYFZSA-N 1 2 452.576 3.924 20 0 JHADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2)cc(OC)c1 ZINC001309289152 1070671616 /nfs/dbraw/zinc/67/16/16/1070671616.db2.gz BYDWWPSTSNLPCR-JOCHJYFZSA-N 1 2 452.576 3.924 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3ccc(SC)c(Cl)c3)C2)cc(OC)c1 ZINC001309290321 1070673057 /nfs/dbraw/zinc/67/30/57/1070673057.db2.gz MZEMEFAFTCKHJY-HNNXBMFYSA-N 1 2 457.017 3.632 20 0 JHADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3ccc(SC)c(Cl)c3)C2)cc(OC)c1 ZINC001309290321 1070673064 /nfs/dbraw/zinc/67/30/64/1070673064.db2.gz MZEMEFAFTCKHJY-HNNXBMFYSA-N 1 2 457.017 3.632 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314613839 1070681787 /nfs/dbraw/zinc/68/17/87/1070681787.db2.gz KMPSGCCEFCDWSF-XRXFAXGQSA-N 1 2 467.724 3.885 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001314613839 1070681791 /nfs/dbraw/zinc/68/17/91/1070681791.db2.gz KMPSGCCEFCDWSF-XRXFAXGQSA-N 1 2 467.724 3.885 20 0 JHADLO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313580568 1070699956 /nfs/dbraw/zinc/69/99/56/1070699956.db2.gz NPSAXCACIPWYHG-IGKIAQTJSA-N 1 2 485.673 3.935 20 0 JHADLO CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313615976 1070739304 /nfs/dbraw/zinc/73/93/04/1070739304.db2.gz UTWYNZMDCGOAOF-XMMPIXPASA-N 1 2 465.646 3.756 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2ccccc2OC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313628610 1070759313 /nfs/dbraw/zinc/75/93/13/1070759313.db2.gz FJQGEPVCGHIERE-UHFFFAOYSA-N 1 2 450.587 3.716 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2ccccc2F)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313633445 1070764453 /nfs/dbraw/zinc/76/44/53/1070764453.db2.gz IERFGZKNWADTNN-DEOSSOPVSA-N 1 2 477.650 3.686 20 0 JHADLO C[NH+](C)[C@H](Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C)c1ccsc1 ZINC001314652957 1070764694 /nfs/dbraw/zinc/76/46/94/1070764694.db2.gz KMCVTADIWISDSB-LJQANCHMSA-N 1 2 479.716 3.878 20 0 JHADLO O=S(=O)(Cc1cccc(F)c1Br)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001309450233 1070778404 /nfs/dbraw/zinc/77/84/04/1070778404.db2.gz MGSNLBITDBQXLW-UHFFFAOYSA-N 1 2 456.381 3.830 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H]2CCCOC2)c[nH+]1 ZINC001314660060 1070783364 /nfs/dbraw/zinc/78/33/64/1070783364.db2.gz FGEYPHYQYFEJCI-GOSISDBHSA-N 1 2 472.540 3.919 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H]2CCOC2)c[nH+]1 ZINC001314660801 1070785304 /nfs/dbraw/zinc/78/53/04/1070785304.db2.gz KQSRKFHLIYWCIS-KRWDZBQOSA-N 1 2 471.403 3.690 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC2CCOCC2)c[nH+]1 ZINC001314661412 1070785697 /nfs/dbraw/zinc/78/56/97/1070785697.db2.gz RNMREZCKVVLOFE-UHFFFAOYSA-N 1 2 488.434 3.798 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001313646885 1070810254 /nfs/dbraw/zinc/81/02/54/1070810254.db2.gz IHXVPCAIGYOWEB-IBGZPJMESA-N 1 2 459.038 3.635 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)c2ccccn2)CC1 ZINC001313647454 1070812709 /nfs/dbraw/zinc/81/27/09/1070812709.db2.gz ACLZJQSZOYRFLG-UHFFFAOYSA-N 1 2 489.668 3.617 20 0 JHADLO O=S(=O)(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)c(Br)cc1F ZINC001309557703 1070854700 /nfs/dbraw/zinc/85/47/00/1070854700.db2.gz GEXVHJCGAZLTNS-UHFFFAOYSA-N 1 2 458.740 3.965 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCC(C)(F)F ZINC001314712230 1070896319 /nfs/dbraw/zinc/89/63/19/1070896319.db2.gz IOJMZMJCIXJBFH-GOSISDBHSA-N 1 2 464.586 3.900 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H]2CCOC2)c[nH+]1 ZINC001313673353 1070907054 /nfs/dbraw/zinc/90/70/54/1070907054.db2.gz LWUDNGLWCIOUIJ-GOSISDBHSA-N 1 2 488.434 3.561 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313675075 1070914385 /nfs/dbraw/zinc/91/43/85/1070914385.db2.gz YJUBEIWVCWEIDF-LJQANCHMSA-N 1 2 457.623 3.794 20 0 JHADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001309682544 1070920330 /nfs/dbraw/zinc/92/03/30/1070920330.db2.gz BXDGZKKAOXUOJH-IBGZPJMESA-N 1 2 450.988 3.658 20 0 JHADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001309682544 1070920341 /nfs/dbraw/zinc/92/03/41/1070920341.db2.gz BXDGZKKAOXUOJH-IBGZPJMESA-N 1 2 450.988 3.658 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c[nH+]1 ZINC001313677061 1070923536 /nfs/dbraw/zinc/92/35/36/1070923536.db2.gz KCIQOCKJSCBTMS-VQTJNVASSA-N 1 2 484.670 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@H](C)C2)c[nH+]1 ZINC001313677091 1070923765 /nfs/dbraw/zinc/92/37/65/1070923765.db2.gz KPVBOAYSSYAZOI-LJQANCHMSA-N 1 2 480.613 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)c[nH+]1 ZINC001313678455 1070929468 /nfs/dbraw/zinc/92/94/68/1070929468.db2.gz DUXKNVLGAJVBGU-UHFFFAOYSA-N 1 2 480.020 3.577 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CC[C@H](Cc4cnn(C)c4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678649 1070930999 /nfs/dbraw/zinc/93/09/99/1070930999.db2.gz IXBHFZKHEPYYNH-LJQANCHMSA-N 1 2 450.635 3.668 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001313679082 1070933977 /nfs/dbraw/zinc/93/39/77/1070933977.db2.gz HIDZZDQNSJFBEO-MSOLQXFVSA-N 1 2 468.524 3.577 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cnn(C)c2)c[nH+]1 ZINC001313679249 1070934010 /nfs/dbraw/zinc/93/40/10/1070934010.db2.gz PKXPQKROORLKBA-FYYLOGMGSA-N 1 2 480.661 3.856 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N(C)[C@H]3CCSC3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313678879 1070932159 /nfs/dbraw/zinc/93/21/59/1070932159.db2.gz MLGGHSAWMAXJAZ-GBXCKJPGSA-N 1 2 474.675 3.550 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@@H]2C)c[nH+]1 ZINC001313679255 1070934937 /nfs/dbraw/zinc/93/49/37/1070934937.db2.gz PLUDOWPIJNWWSK-SFHVURJKSA-N 1 2 497.669 3.563 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001313681670 1070941427 /nfs/dbraw/zinc/94/14/27/1070941427.db2.gz VGFOYMZKNKCZHN-OAQYLSRUSA-N 1 2 467.662 3.966 20 0 JHADLO CN(Cc1cccc(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001314745752 1070989219 /nfs/dbraw/zinc/98/92/19/1070989219.db2.gz YVDCGOAXZRGZDE-UHFFFAOYSA-N 1 2 460.517 3.598 20 0 JHADLO CN(Cc1ccsc1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314769334 1071031508 /nfs/dbraw/zinc/03/15/08/1071031508.db2.gz KFUOLCFAAMGSCL-UHFFFAOYSA-N 1 2 472.634 3.720 20 0 JHADLO CN(Cc1ccsc1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314769334 1071031518 /nfs/dbraw/zinc/03/15/18/1071031518.db2.gz KFUOLCFAAMGSCL-UHFFFAOYSA-N 1 2 472.634 3.720 20 0 JHADLO CN(Cc1nccs1)c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314778249 1071051952 /nfs/dbraw/zinc/05/19/52/1071051952.db2.gz JSHQXJOMULMBOW-IBGZPJMESA-N 1 2 469.565 3.938 20 0 JHADLO CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001310034482 1071073763 /nfs/dbraw/zinc/07/37/63/1071073763.db2.gz OTFGXOVZFGDBJS-OAHLLOKOSA-N 1 2 451.618 3.805 20 0 JHADLO CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001310034482 1071073776 /nfs/dbraw/zinc/07/37/76/1071073776.db2.gz OTFGXOVZFGDBJS-OAHLLOKOSA-N 1 2 451.618 3.805 20 0 JHADLO CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001310034481 1071074192 /nfs/dbraw/zinc/07/41/92/1071074192.db2.gz OTFGXOVZFGDBJS-HNNXBMFYSA-N 1 2 451.618 3.805 20 0 JHADLO CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001310034481 1071074207 /nfs/dbraw/zinc/07/42/07/1071074207.db2.gz OTFGXOVZFGDBJS-HNNXBMFYSA-N 1 2 451.618 3.805 20 0 JHADLO CN(C[C@@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001314802837 1071085442 /nfs/dbraw/zinc/08/54/42/1071085442.db2.gz COAUNYMUYJLSNF-HBMCJLEFSA-N 1 2 499.660 3.951 20 0 JHADLO CN(C[C@H]1CCOC1)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314812798 1071110708 /nfs/dbraw/zinc/11/07/08/1071110708.db2.gz CVECIAGEXGJCPD-GOSISDBHSA-N 1 2 480.078 3.807 20 0 JHADLO C[C@H](c1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1)[NH+]1CCOCC1 ZINC001310290183 1071274003 /nfs/dbraw/zinc/27/40/03/1071274003.db2.gz IZOPHCBHYCJIIU-OSZJIOELSA-N 1 2 458.603 3.989 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCC1 ZINC001314869942 1071279414 /nfs/dbraw/zinc/27/94/14/1071279414.db2.gz JOZKKOFHCXHDPW-UHFFFAOYSA-N 1 2 454.438 3.728 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cc(F)c(F)c1F ZINC001314871924 1071285042 /nfs/dbraw/zinc/28/50/42/1071285042.db2.gz SIPLBKOHSBZTJX-QVKFZJNVSA-N 1 2 499.553 3.570 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CCCc2ccccc2)n1Cc1ccc(Cl)s1 ZINC001314873844 1071290955 /nfs/dbraw/zinc/29/09/55/1071290955.db2.gz JJQHGTOLOSJQPL-UHFFFAOYSA-N 1 2 460.047 3.985 20 0 JHADLO CN(CCOC(C)(C)C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314878193 1071297809 /nfs/dbraw/zinc/29/78/09/1071297809.db2.gz HNKPCWPVFUGHEW-UHFFFAOYSA-N 1 2 482.604 3.539 20 0 JHADLO CCn1cc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3cccc[nH+]3)CCO2)cn1 ZINC001313836027 1071315287 /nfs/dbraw/zinc/31/52/87/1071315287.db2.gz SJHWMNJRHQPGAX-HXUWFJFHSA-N 1 2 452.607 3.558 20 0 JHADLO CCn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001310356187 1071334937 /nfs/dbraw/zinc/33/49/37/1071334937.db2.gz IDEIGNQIXMYBDK-LJQANCHMSA-N 1 2 457.941 3.939 20 0 JHADLO CCn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001310356187 1071334953 /nfs/dbraw/zinc/33/49/53/1071334953.db2.gz IDEIGNQIXMYBDK-LJQANCHMSA-N 1 2 457.941 3.939 20 0 JHADLO CNC(=O)c1cccc(CCn2c(C(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001314979277 1071478459 /nfs/dbraw/zinc/47/84/59/1071478459.db2.gz LPYBFPWAAMMEIZ-JOCHJYFZSA-N 1 2 496.681 3.575 20 0 JHADLO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2c[nH+]ccc2OC)C1 ZINC001314995704 1071512534 /nfs/dbraw/zinc/51/25/34/1071512534.db2.gz QSUMDMYDBZPILT-HXUWFJFHSA-N 1 2 492.624 3.703 20 0 JHADLO CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001315004132 1071531082 /nfs/dbraw/zinc/53/10/82/1071531082.db2.gz KTWYJOSYHCDUNU-UHFFFAOYSA-N 1 2 467.662 3.653 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926457 1071576378 /nfs/dbraw/zinc/57/63/78/1071576378.db2.gz CJJDRFISSPYSFX-NFBKMPQASA-N 1 2 490.693 3.600 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926519 1071576745 /nfs/dbraw/zinc/57/67/45/1071576745.db2.gz DDPBSYNOBJTOPW-YIXXDRMTSA-N 1 2 484.689 3.587 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928575 1071584552 /nfs/dbraw/zinc/58/45/52/1071584552.db2.gz UJYGOUVMOMKUGM-RJGXRXQPSA-N 1 2 498.716 3.794 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928744 1071584648 /nfs/dbraw/zinc/58/46/48/1071584648.db2.gz VXOLXYMCXJGBHX-FQEVSTJZSA-N 1 2 458.626 3.791 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314037574 1071830803 /nfs/dbraw/zinc/83/08/03/1071830803.db2.gz MOFPPTUNMBWLQI-RPWUZVMVSA-N 1 2 498.672 3.573 20 0 JHADLO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074458 1071929743 /nfs/dbraw/zinc/92/97/43/1071929743.db2.gz KQCXJCMTBUJNRE-MZNJEOGPSA-N 1 2 455.534 3.719 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074459 1071929883 /nfs/dbraw/zinc/92/98/83/1071929883.db2.gz KQCXJCMTBUJNRE-OSPHWJPCSA-N 1 2 455.534 3.719 20 0 JHADLO CCO[C@@]1(c2nnc(N3CC[C@@](C)(CC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314105104 1071993675 /nfs/dbraw/zinc/99/36/75/1071993675.db2.gz ALYYSVOIDRJTMK-RPBOFIJWSA-N 1 2 456.635 3.846 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314139383 1072052521 /nfs/dbraw/zinc/05/25/21/1072052521.db2.gz HLEBKGORDBQXCI-UIOOFZCWSA-N 1 2 471.646 3.908 20 0 JHADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314140437 1072053945 /nfs/dbraw/zinc/05/39/45/1072053945.db2.gz LDIOHRPYWBXWCL-SQJMNOBHSA-N 1 2 457.619 3.518 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305976981 1068316979 /nfs/dbraw/zinc/31/69/79/1068316979.db2.gz RCOHOKHORBHUMM-UHFFFAOYSA-N 1 2 488.640 3.916 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)SC ZINC001305985233 1068334535 /nfs/dbraw/zinc/33/45/35/1068334535.db2.gz GSVQPFYIOQNKIW-UHFFFAOYSA-N 1 2 481.670 3.986 20 0 JHADLO CCc1nc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCOCC2)cs1 ZINC001306030852 1068430861 /nfs/dbraw/zinc/43/08/61/1068430861.db2.gz CDBKWQQQAPEADP-INIZCTEOSA-N 1 2 476.597 3.523 20 0 JHADLO CCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306060654 1068498884 /nfs/dbraw/zinc/49/88/84/1068498884.db2.gz ANSWAPNOMQNJIQ-RDJZCZTQSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306060654 1068498887 /nfs/dbraw/zinc/49/88/87/1068498887.db2.gz ANSWAPNOMQNJIQ-RDJZCZTQSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCC(=O)NC1CCCCC1 ZINC001306209536 1068600766 /nfs/dbraw/zinc/60/07/66/1068600766.db2.gz ICVDTUAOEVJXFE-UHFFFAOYSA-N 1 2 489.064 3.534 20 0 JHADLO CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001306324460 1068759345 /nfs/dbraw/zinc/75/93/45/1068759345.db2.gz JERNUGABRGFFPN-NRFANRHFSA-N 1 2 468.646 3.884 20 0 JHADLO CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001306324460 1068759355 /nfs/dbraw/zinc/75/93/55/1068759355.db2.gz JERNUGABRGFFPN-NRFANRHFSA-N 1 2 468.646 3.884 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001306395870 1068842349 /nfs/dbraw/zinc/84/23/49/1068842349.db2.gz FMPBGERWLBLEMW-QGZVFWFLSA-N 1 2 490.475 3.887 20 0 JHADLO CC[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306422700 1068915899 /nfs/dbraw/zinc/91/58/99/1068915899.db2.gz HXIYCPBOQFHAQV-QUCCMNQESA-N 1 2 469.634 3.794 20 0 JHADLO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001306439400 1068945766 /nfs/dbraw/zinc/94/57/66/1068945766.db2.gz KYTSHTNMKFUQLO-QFIPXVFZSA-N 1 2 464.614 3.782 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001306452375 1068972907 /nfs/dbraw/zinc/97/29/07/1068972907.db2.gz PCEQCHYKJKMSFY-HSZRJFAPSA-N 1 2 486.730 3.832 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001306452375 1068972920 /nfs/dbraw/zinc/97/29/20/1068972920.db2.gz PCEQCHYKJKMSFY-HSZRJFAPSA-N 1 2 486.730 3.832 20 0 JHADLO Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001310498990 1068983929 /nfs/dbraw/zinc/98/39/29/1068983929.db2.gz YCDRMQHLHMITMN-UHFFFAOYSA-N 1 2 459.900 3.992 20 0 JHADLO Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001310498990 1068983940 /nfs/dbraw/zinc/98/39/40/1068983940.db2.gz YCDRMQHLHMITMN-UHFFFAOYSA-N 1 2 459.900 3.992 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306498603 1069050913 /nfs/dbraw/zinc/05/09/13/1069050913.db2.gz PREIBWOPXMOSQI-JOCHJYFZSA-N 1 2 462.598 3.845 20 0 JHADLO COCN1C(=O)CCc2cc(NC(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)ccc21 ZINC001310637814 1069075315 /nfs/dbraw/zinc/07/53/15/1069075315.db2.gz VVKNTFKYCUCREI-UHFFFAOYSA-N 1 2 459.550 3.793 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001306513951 1069113079 /nfs/dbraw/zinc/11/30/79/1069113079.db2.gz ABLJPIJNRYXKFT-JOCHJYFZSA-N 1 2 467.662 3.968 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306517927 1069129775 /nfs/dbraw/zinc/12/97/75/1069129775.db2.gz PNABKMAROGVHFG-OAQYLSRUSA-N 1 2 461.614 3.809 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306518185 1069131469 /nfs/dbraw/zinc/13/14/69/1069131469.db2.gz CMEUDFKQIMGTCW-JTHBVZDNSA-N 1 2 468.646 3.989 20 0 JHADLO Cc1c(NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1-c1ncco1 ZINC001310815109 1069175425 /nfs/dbraw/zinc/17/54/25/1069175425.db2.gz XAGNDEPECVIBBO-GOSISDBHSA-N 1 2 455.559 3.809 20 0 JHADLO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310821624 1069177977 /nfs/dbraw/zinc/17/79/77/1069177977.db2.gz SWCWWRVGABPOOX-GOSISDBHSA-N 1 2 459.388 3.787 20 0 JHADLO CCOC(=O)Cc1cnc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884888 1069208859 /nfs/dbraw/zinc/20/88/59/1069208859.db2.gz TXPHDRWSBJEBDI-OAHLLOKOSA-N 1 2 454.955 3.827 20 0 JHADLO CCOC(=O)Cc1cnc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884888 1069208868 /nfs/dbraw/zinc/20/88/68/1069208868.db2.gz TXPHDRWSBJEBDI-OAHLLOKOSA-N 1 2 454.955 3.827 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)CC2)c1 ZINC001310970763 1069236103 /nfs/dbraw/zinc/23/61/03/1069236103.db2.gz BRMSYVBASPDARN-UHFFFAOYSA-N 1 2 455.555 3.879 20 0 JHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(I)cc1F ZINC001310979017 1069238747 /nfs/dbraw/zinc/23/87/47/1069238747.db2.gz RVGMZOXMWMSTEM-UHFFFAOYSA-N 1 2 450.255 3.997 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306580354 1069245103 /nfs/dbraw/zinc/24/51/03/1069245103.db2.gz KPVJYJNEZJSCKE-XUZZJYLKSA-N 1 2 465.646 3.838 20 0 JHADLO C[C@H]([C@H](C)NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[NH+]1CCOCC1 ZINC001311006551 1069246404 /nfs/dbraw/zinc/24/64/04/1069246404.db2.gz JWHKNPAWOLDPOR-VHSXEESVSA-N 1 2 458.250 3.718 20 0 JHADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306583923 1069248895 /nfs/dbraw/zinc/24/88/95/1069248895.db2.gz DTAXBQSUSMVABU-ILWGZMRPSA-N 1 2 468.646 3.639 20 0 JHADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306583925 1069248918 /nfs/dbraw/zinc/24/89/18/1069248918.db2.gz DTAXBQSUSMVABU-NNWRFLSQSA-N 1 2 468.646 3.639 20 0 JHADLO CCCC(O)(CCC)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306596586 1069270825 /nfs/dbraw/zinc/27/08/25/1069270825.db2.gz CDUFGRKEUPPKEK-HXUWFJFHSA-N 1 2 456.635 3.527 20 0 JHADLO COc1cccc(OC(F)(F)F)c1NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001311119785 1069278319 /nfs/dbraw/zinc/27/83/19/1069278319.db2.gz XPVPQMZBQZEORV-KRWDZBQOSA-N 1 2 453.461 3.925 20 0 JHADLO COc1cccc(OC(F)(F)F)c1NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001311119785 1069278332 /nfs/dbraw/zinc/27/83/32/1069278332.db2.gz XPVPQMZBQZEORV-KRWDZBQOSA-N 1 2 453.461 3.925 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001311244550 1069306937 /nfs/dbraw/zinc/30/69/37/1069306937.db2.gz KKUBIBAIZWWONV-ROUUACIJSA-N 1 2 453.768 3.999 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001311244550 1069306951 /nfs/dbraw/zinc/30/69/51/1069306951.db2.gz KKUBIBAIZWWONV-ROUUACIJSA-N 1 2 453.768 3.999 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1=O ZINC001164644844 719282273 /nfs/dbraw/zinc/28/22/73/719282273.db2.gz UGAIHTRHUOSVGK-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1=O ZINC001164644844 719282276 /nfs/dbraw/zinc/28/22/76/719282276.db2.gz UGAIHTRHUOSVGK-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164658534 719352393 /nfs/dbraw/zinc/35/23/93/719352393.db2.gz IKXMMUXSOPQCIT-UHFFFAOYSA-N 1 2 460.973 3.768 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164658534 719352395 /nfs/dbraw/zinc/35/23/95/719352395.db2.gz IKXMMUXSOPQCIT-UHFFFAOYSA-N 1 2 460.973 3.768 20 0 JHADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672781 719523613 /nfs/dbraw/zinc/52/36/13/719523613.db2.gz NVDUMOWFTROOGM-UHFFFAOYSA-N 1 2 490.645 3.559 20 0 JHADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672781 719523626 /nfs/dbraw/zinc/52/36/26/719523626.db2.gz NVDUMOWFTROOGM-UHFFFAOYSA-N 1 2 490.645 3.559 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)cn3)CC2)cc1 ZINC001164700039 719829856 /nfs/dbraw/zinc/82/98/56/719829856.db2.gz ZQBPGUDBUZFUBE-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccc(Cl)nn3)CC2)cc1 ZINC001164697636 719830013 /nfs/dbraw/zinc/83/00/13/719830013.db2.gz PWSOTJKHTRRKQI-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)cc1 ZINC001164700040 719830410 /nfs/dbraw/zinc/83/04/10/719830410.db2.gz ZQFLBKLMAISWMG-UHFFFAOYSA-N 1 2 488.926 3.502 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(OCc2ccccc2)cc1Cl ZINC001164706671 719864866 /nfs/dbraw/zinc/86/48/66/719864866.db2.gz QGOXTLMUQSJFBL-NTKDMRAZSA-N 1 2 459.974 3.547 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164700680 719872839 /nfs/dbraw/zinc/87/28/39/719872839.db2.gz FKQIWMCPUKKELG-GCJKJVERSA-N 1 2 480.943 3.575 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)C2=O)cs1 ZINC001164824810 720362103 /nfs/dbraw/zinc/36/21/03/720362103.db2.gz MNGNMIGGCZDNGO-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)C2=O)cs1 ZINC001164824810 720362112 /nfs/dbraw/zinc/36/21/12/720362112.db2.gz MNGNMIGGCZDNGO-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccc(C)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824891 720367486 /nfs/dbraw/zinc/36/74/86/720367486.db2.gz PPRHZBHCEVORGQ-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccc(C)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824891 720367494 /nfs/dbraw/zinc/36/74/94/720367494.db2.gz PPRHZBHCEVORGQ-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO COc1ccc2[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)cc(C)c2c1 ZINC001164820074 720370277 /nfs/dbraw/zinc/37/02/77/720370277.db2.gz KXZICGWIWIQLSW-UHFFFAOYSA-N 1 2 465.623 3.630 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5cccc(Cl)c54)CC3)C2=O)cs1 ZINC001164820925 720370987 /nfs/dbraw/zinc/37/09/87/720370987.db2.gz UQYWOIVYKLCASG-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5cccc(Cl)c54)CC3)C2=O)cs1 ZINC001164820925 720370992 /nfs/dbraw/zinc/37/09/92/720370992.db2.gz UQYWOIVYKLCASG-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nn2)cc1 ZINC001164821314 720381834 /nfs/dbraw/zinc/38/18/34/720381834.db2.gz FHJQJBRPFCHDIL-UHFFFAOYSA-N 1 2 476.650 3.784 20 0 JHADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nn2)cc1 ZINC001164821314 720381839 /nfs/dbraw/zinc/38/18/39/720381839.db2.gz FHJQJBRPFCHDIL-UHFFFAOYSA-N 1 2 476.650 3.784 20 0 JHADLO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823760 720385452 /nfs/dbraw/zinc/38/54/52/720385452.db2.gz QMXNSLDTYSOGEC-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823760 720385456 /nfs/dbraw/zinc/38/54/56/720385456.db2.gz QMXNSLDTYSOGEC-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164830214 720472442 /nfs/dbraw/zinc/47/24/42/720472442.db2.gz JKMQBJGXZPHGTR-FQEVSTJZSA-N 1 2 490.633 3.544 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164861973 720895824 /nfs/dbraw/zinc/89/58/24/720895824.db2.gz ZSPRLFHBVVSIIM-UHFFFAOYSA-N 1 2 492.317 3.693 20 0 JHADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758265 720982405 /nfs/dbraw/zinc/98/24/05/720982405.db2.gz UPWYMPYNWUAMSY-CQSZACIVSA-N 1 2 450.877 3.589 20 0 JHADLO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Cl)n1 ZINC001164871308 721219212 /nfs/dbraw/zinc/21/92/12/721219212.db2.gz JTUGCZQYZUDMTJ-UHFFFAOYSA-N 1 2 466.916 3.727 20 0 JHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874323 721221715 /nfs/dbraw/zinc/22/17/15/721221715.db2.gz UEFAMOWPNSSFAC-UHFFFAOYSA-N 1 2 466.945 3.641 20 0 JHADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164914229 721799382 /nfs/dbraw/zinc/79/93/82/721799382.db2.gz KVQZDSTWJSMDLN-MHZLTWQESA-N 1 2 494.039 3.840 20 0 JHADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164914229 721799388 /nfs/dbraw/zinc/79/93/88/721799388.db2.gz KVQZDSTWJSMDLN-MHZLTWQESA-N 1 2 494.039 3.840 20 0 JHADLO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164919281 721809060 /nfs/dbraw/zinc/80/90/60/721809060.db2.gz XPXRJPWPNIREPM-GRYUFTJMSA-N 1 2 477.634 3.692 20 0 JHADLO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164919281 721809061 /nfs/dbraw/zinc/80/90/61/721809061.db2.gz XPXRJPWPNIREPM-GRYUFTJMSA-N 1 2 477.634 3.692 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164919438 721820443 /nfs/dbraw/zinc/82/04/43/721820443.db2.gz QUBCUMBIKATCMQ-QFIPXVFZSA-N 1 2 456.953 3.871 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164919438 721820445 /nfs/dbraw/zinc/82/04/45/721820445.db2.gz QUBCUMBIKATCMQ-QFIPXVFZSA-N 1 2 456.953 3.871 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164947273 721976946 /nfs/dbraw/zinc/97/69/46/721976946.db2.gz OFOSJZHLWWWQDM-UHFFFAOYSA-N 1 2 461.997 3.692 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164947273 721976950 /nfs/dbraw/zinc/97/69/50/721976950.db2.gz OFOSJZHLWWWQDM-UHFFFAOYSA-N 1 2 461.997 3.692 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164950405 721981510 /nfs/dbraw/zinc/98/15/10/721981510.db2.gz SQKNWQFEDFATIV-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164950405 721981514 /nfs/dbraw/zinc/98/15/14/721981514.db2.gz SQKNWQFEDFATIV-UHFFFAOYSA-N 1 2 459.619 3.740 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164973633 722097146 /nfs/dbraw/zinc/09/71/46/722097146.db2.gz BJQCFMFBFICQLO-MVERNJQCSA-N 1 2 468.605 3.581 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164973633 722097147 /nfs/dbraw/zinc/09/71/47/722097147.db2.gz BJQCFMFBFICQLO-MVERNJQCSA-N 1 2 468.605 3.581 20 0 JHADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@H]32)cs1 ZINC001164983574 722176987 /nfs/dbraw/zinc/17/69/87/722176987.db2.gz BMDYQCADGUJDBZ-CLJLJLNGSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@H]32)cs1 ZINC001164983574 722176988 /nfs/dbraw/zinc/17/69/88/722176988.db2.gz BMDYQCADGUJDBZ-CLJLJLNGSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@@H]32)cs1 ZINC001164983579 722177001 /nfs/dbraw/zinc/17/70/01/722177001.db2.gz BMDYQCADGUJDBZ-UIOOFZCWSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@@H]32)cs1 ZINC001164983579 722177002 /nfs/dbraw/zinc/17/70/02/722177002.db2.gz BMDYQCADGUJDBZ-UIOOFZCWSA-N 1 2 490.677 3.670 20 0 JHADLO COc1cc2[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)ccc2c(OC)c1 ZINC001164989189 722186395 /nfs/dbraw/zinc/18/63/95/722186395.db2.gz OTPGWKXBPQPVJQ-FCHUYYIVSA-N 1 2 454.596 3.887 20 0 JHADLO O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311350562 1069336367 /nfs/dbraw/zinc/33/63/67/1069336367.db2.gz UXOLVGUSNBBKQD-FQEVSTJZSA-N 1 2 452.382 3.710 20 0 JHADLO O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311350562 1069336379 /nfs/dbraw/zinc/33/63/79/1069336379.db2.gz UXOLVGUSNBBKQD-FQEVSTJZSA-N 1 2 452.382 3.710 20 0 JHADLO CS[C@H]1CCCCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001311378321 1069351781 /nfs/dbraw/zinc/35/17/81/1069351781.db2.gz JVTWRMSNPQZNNA-QFIPXVFZSA-N 1 2 457.619 3.974 20 0 JHADLO O=C(C[NH+]1CCC(NC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1)Nc1ccccc1 ZINC001311517582 1069418714 /nfs/dbraw/zinc/41/87/14/1069418714.db2.gz IUMIGMMMIXWUKW-UHFFFAOYSA-N 1 2 450.461 3.539 20 0 JHADLO CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001306702461 1069438062 /nfs/dbraw/zinc/43/80/62/1069438062.db2.gz AIMWDAAQSQIWQN-UHFFFAOYSA-N 1 2 491.478 3.807 20 0 JHADLO COc1cc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1OCc1ccccc1 ZINC001311621292 1069472156 /nfs/dbraw/zinc/47/21/56/1069472156.db2.gz ACYSCRVNAAAYCP-SXWKCWPCSA-N 1 2 453.583 3.840 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306732810 1069491193 /nfs/dbraw/zinc/49/11/93/1069491193.db2.gz MADJUSSJERODTN-UXHICEINSA-N 1 2 492.624 3.927 20 0 JHADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306739653 1069512456 /nfs/dbraw/zinc/51/24/56/1069512456.db2.gz XSMRYCDMQPUMCK-ZEQRLZLVSA-N 1 2 482.673 3.608 20 0 JHADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001311714185 1069515733 /nfs/dbraw/zinc/51/57/33/1069515733.db2.gz JUZVIHXYXTXLLT-OAQYLSRUSA-N 1 2 459.537 3.765 20 0 JHADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001311715590 1069516655 /nfs/dbraw/zinc/51/66/55/1069516655.db2.gz RVETUHPMHCYVBG-UHFFFAOYSA-N 1 2 455.912 3.966 20 0 JHADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001311875371 1069591204 /nfs/dbraw/zinc/59/12/04/1069591204.db2.gz WYMXQDINNVJLEY-JOCHJYFZSA-N 1 2 459.974 3.611 20 0 JHADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001311875371 1069591210 /nfs/dbraw/zinc/59/12/10/1069591210.db2.gz WYMXQDINNVJLEY-JOCHJYFZSA-N 1 2 459.974 3.611 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953835 1069632490 /nfs/dbraw/zinc/63/24/90/1069632490.db2.gz NMXJFTYAKIDFQR-MOPGFXCFSA-N 1 2 454.974 3.706 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953835 1069632495 /nfs/dbraw/zinc/63/24/95/1069632495.db2.gz NMXJFTYAKIDFQR-MOPGFXCFSA-N 1 2 454.974 3.706 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306815058 1069636384 /nfs/dbraw/zinc/63/63/84/1069636384.db2.gz UMNRIHZKFDECBV-QUCCMNQESA-N 1 2 463.573 3.588 20 0 JHADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC001306832108 1069649090 /nfs/dbraw/zinc/64/90/90/1069649090.db2.gz SMOCKVGBBUKXFS-QFIPXVFZSA-N 1 2 458.474 3.834 20 0 JHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976169 1069646543 /nfs/dbraw/zinc/64/65/43/1069646543.db2.gz OLAWMMJGKXPDIL-GEALJGNFSA-N 1 2 451.011 3.887 20 0 JHADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976169 1069646546 /nfs/dbraw/zinc/64/65/46/1069646546.db2.gz OLAWMMJGKXPDIL-GEALJGNFSA-N 1 2 451.011 3.887 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174754 1069699379 /nfs/dbraw/zinc/69/93/79/1069699379.db2.gz AKVNHYBYLOYJQK-IBGZPJMESA-N 1 2 496.578 3.519 20 0 JHADLO CCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001307013635 1069718670 /nfs/dbraw/zinc/71/86/70/1069718670.db2.gz DWLKQKSLWJXQNU-UHFFFAOYSA-N 1 2 481.670 3.777 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001314185396 1069737618 /nfs/dbraw/zinc/73/76/18/1069737618.db2.gz IYDGHVVQMMMKKY-UHFFFAOYSA-N 1 2 457.582 3.808 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314186368 1069740220 /nfs/dbraw/zinc/74/02/20/1069740220.db2.gz QRRTYCBEFCABLG-IBGZPJMESA-N 1 2 455.628 3.686 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314186368 1069740237 /nfs/dbraw/zinc/74/02/37/1069740237.db2.gz QRRTYCBEFCABLG-IBGZPJMESA-N 1 2 455.628 3.686 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314196408 1069774249 /nfs/dbraw/zinc/77/42/49/1069774249.db2.gz YODXVLFQHYZILO-SFTDATJTSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314196408 1069774230 /nfs/dbraw/zinc/77/42/30/1069774230.db2.gz YODXVLFQHYZILO-SFTDATJTSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314216851 1069851434 /nfs/dbraw/zinc/85/14/34/1069851434.db2.gz MREDUWOQNJIZTC-NJDAHSKKSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314221007 1069870402 /nfs/dbraw/zinc/87/04/02/1069870402.db2.gz ANYUYZYOWARVFI-AUSIDOKSSA-N 1 2 480.613 3.626 20 0 JHADLO C[NH+](C)C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001312391349 1069904366 /nfs/dbraw/zinc/90/43/66/1069904366.db2.gz IAORHMDDNJSJHU-RBUKOAKNSA-N 1 2 458.411 3.681 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426860 1069930167 /nfs/dbraw/zinc/93/01/67/1069930167.db2.gz SWEAFHWSVMOUAW-XZOQPEGZSA-N 1 2 458.002 3.803 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426860 1069930179 /nfs/dbraw/zinc/93/01/79/1069930179.db2.gz SWEAFHWSVMOUAW-XZOQPEGZSA-N 1 2 458.002 3.803 20 0 JHADLO CN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001312426222 1069928914 /nfs/dbraw/zinc/92/89/14/1069928914.db2.gz NWTRPZVRNFBNHK-ACRUOGEOSA-N 1 2 452.382 3.740 20 0 JHADLO CN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001312426222 1069928927 /nfs/dbraw/zinc/92/89/27/1069928927.db2.gz NWTRPZVRNFBNHK-ACRUOGEOSA-N 1 2 452.382 3.740 20 0 JHADLO CN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[C@H](CO)c1ccc(Cl)cc1 ZINC001312426225 1069928972 /nfs/dbraw/zinc/92/89/72/1069928972.db2.gz NWTRPZVRNFBNHK-QHAWAJNXSA-N 1 2 452.382 3.740 20 0 JHADLO CN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[C@H](CO)c1ccc(Cl)cc1 ZINC001312426225 1069928982 /nfs/dbraw/zinc/92/89/82/1069928982.db2.gz NWTRPZVRNFBNHK-QHAWAJNXSA-N 1 2 452.382 3.740 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312427984 1069930861 /nfs/dbraw/zinc/93/08/61/1069930861.db2.gz ZYFAQCCOUNWMLN-XZOQPEGZSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312427984 1069930872 /nfs/dbraw/zinc/93/08/72/1069930872.db2.gz ZYFAQCCOUNWMLN-XZOQPEGZSA-N 1 2 453.974 3.943 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301654 1069932465 /nfs/dbraw/zinc/93/24/65/1069932465.db2.gz NQPIGYDUDDLBHE-XLIONFOSSA-N 1 2 454.962 3.717 20 0 JHADLO Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c(Cl)c1 ZINC001307301654 1069932480 /nfs/dbraw/zinc/93/24/80/1069932480.db2.gz NQPIGYDUDDLBHE-XLIONFOSSA-N 1 2 454.962 3.717 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCSCCC(F)(F)F)[nH+]c12 ZINC001312474931 1069958662 /nfs/dbraw/zinc/95/86/62/1069958662.db2.gz JTWRWUACOZDSBJ-UHFFFAOYSA-N 1 2 453.328 3.933 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001312521634 1069988501 /nfs/dbraw/zinc/98/85/01/1069988501.db2.gz YCSVZGWGIORCRK-TYCQWZJGSA-N 1 2 450.421 3.665 20 0 JHADLO CCCC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1F ZINC001307449610 1069989379 /nfs/dbraw/zinc/98/93/79/1069989379.db2.gz OIUGJTCJPDCANV-UHFFFAOYSA-N 1 2 450.352 3.945 20 0 JHADLO CCCC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1F ZINC001307449610 1069989389 /nfs/dbraw/zinc/98/93/89/1069989389.db2.gz OIUGJTCJPDCANV-UHFFFAOYSA-N 1 2 450.352 3.945 20 0 JHADLO O=C(CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307453497 1069993819 /nfs/dbraw/zinc/99/38/19/1069993819.db2.gz YVNZNOFBQDINFC-HXUWFJFHSA-N 1 2 454.423 3.773 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H](OCC)[C@@H]3Oc3ccccc3)CC2)cc1 ZINC001312535543 1069998164 /nfs/dbraw/zinc/99/81/64/1069998164.db2.gz CRWLVPBJENUUNT-UBFVSLLYSA-N 1 2 453.583 3.538 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001312543042 1070003039 /nfs/dbraw/zinc/00/30/39/1070003039.db2.gz MPKYOTQLLBNRAN-HLAWJBBLSA-N 1 2 471.577 3.677 20 0 JHADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC001307491203 1070015414 /nfs/dbraw/zinc/01/54/14/1070015414.db2.gz VESHQICYTIGWMN-SFHVURJKSA-N 1 2 454.958 3.853 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC001307498048 1070017996 /nfs/dbraw/zinc/01/79/96/1070017996.db2.gz BSCXHQUVWNRWIV-FQEVSTJZSA-N 1 2 457.018 3.699 20 0 JHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521065 1070032166 /nfs/dbraw/zinc/03/21/66/1070032166.db2.gz GSBNLADKYLQZPX-ZUQCGGBESA-N 1 2 456.608 3.774 20 0 JHADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307521065 1070032179 /nfs/dbraw/zinc/03/21/79/1070032179.db2.gz GSBNLADKYLQZPX-ZUQCGGBESA-N 1 2 456.608 3.774 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312597810 1070036904 /nfs/dbraw/zinc/03/69/04/1070036904.db2.gz CSABJPFOJSBFMS-RLFYNMQTSA-N 1 2 457.402 3.700 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312597810 1070036920 /nfs/dbraw/zinc/03/69/20/1070036920.db2.gz CSABJPFOJSBFMS-RLFYNMQTSA-N 1 2 457.402 3.700 20 0 JHADLO O=C(C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001307541623 1070042736 /nfs/dbraw/zinc/04/27/36/1070042736.db2.gz REAOQAOUHYKACX-GASCZTMLSA-N 1 2 450.498 3.506 20 0 JHADLO CC(C)OC(=O)CC[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001312629378 1070052133 /nfs/dbraw/zinc/05/21/33/1070052133.db2.gz MWNJQEMDJHJBPU-OAHLLOKOSA-N 1 2 455.353 3.571 20 0 JHADLO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001312628322 1070051525 /nfs/dbraw/zinc/05/15/25/1070051525.db2.gz DLCYPCDQOWYGGF-HNNXBMFYSA-N 1 2 452.340 3.856 20 0 JHADLO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC001307571822 1070058627 /nfs/dbraw/zinc/05/86/27/1070058627.db2.gz NWXWBDYZLDGIMZ-INIZCTEOSA-N 1 2 456.344 3.669 20 0 JHADLO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC001307571822 1070058643 /nfs/dbraw/zinc/05/86/43/1070058643.db2.gz NWXWBDYZLDGIMZ-INIZCTEOSA-N 1 2 456.344 3.669 20 0 JHADLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)cc1 ZINC001307641961 1070096771 /nfs/dbraw/zinc/09/67/71/1070096771.db2.gz CLQHGCAVVXMFQL-GOSISDBHSA-N 1 2 456.349 3.536 20 0 JHADLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)cc1 ZINC001307641961 1070096787 /nfs/dbraw/zinc/09/67/87/1070096787.db2.gz CLQHGCAVVXMFQL-GOSISDBHSA-N 1 2 456.349 3.536 20 0 JHADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC001307653627 1070104436 /nfs/dbraw/zinc/10/44/36/1070104436.db2.gz JHQRXEZFZJWJAN-LJQANCHMSA-N 1 2 452.580 3.534 20 0 JHADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC001307653627 1070104444 /nfs/dbraw/zinc/10/44/44/1070104444.db2.gz JHQRXEZFZJWJAN-LJQANCHMSA-N 1 2 452.580 3.534 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@H](C)C1 ZINC001307715394 1070141487 /nfs/dbraw/zinc/14/14/87/1070141487.db2.gz NPGBJTSWXLAUGO-GOSISDBHSA-N 1 2 451.596 3.895 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@H](C)C1 ZINC001307715394 1070141497 /nfs/dbraw/zinc/14/14/97/1070141497.db2.gz NPGBJTSWXLAUGO-GOSISDBHSA-N 1 2 451.596 3.895 20 0 JHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001307715134 1070141585 /nfs/dbraw/zinc/14/15/85/1070141585.db2.gz CLUIPCDGSIXSLH-QFIPXVFZSA-N 1 2 453.584 3.566 20 0 JHADLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001307715134 1070141591 /nfs/dbraw/zinc/14/15/91/1070141591.db2.gz CLUIPCDGSIXSLH-QFIPXVFZSA-N 1 2 453.584 3.566 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@@H](C)C1 ZINC001307715395 1070141679 /nfs/dbraw/zinc/14/16/79/1070141679.db2.gz NPGBJTSWXLAUGO-SFHVURJKSA-N 1 2 451.596 3.895 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@@H](C)C1 ZINC001307715395 1070141686 /nfs/dbraw/zinc/14/16/86/1070141686.db2.gz NPGBJTSWXLAUGO-SFHVURJKSA-N 1 2 451.596 3.895 20 0 JHADLO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1CCOc3c(Br)cccc3C1)O2 ZINC001307739475 1070160451 /nfs/dbraw/zinc/16/04/51/1070160451.db2.gz ZJDQNFMBEXCYDF-MRXNPFEDSA-N 1 2 453.377 3.812 20 0 JHADLO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+]1CCOc3c(Br)cccc3C1)O2 ZINC001307739475 1070160455 /nfs/dbraw/zinc/16/04/55/1070160455.db2.gz ZJDQNFMBEXCYDF-MRXNPFEDSA-N 1 2 453.377 3.812 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748666 1070164783 /nfs/dbraw/zinc/16/47/83/1070164783.db2.gz IGEOVTLNLABVET-SFTDATJTSA-N 1 2 453.539 3.787 20 0 JHADLO O=C(C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001307748666 1070164787 /nfs/dbraw/zinc/16/47/87/1070164787.db2.gz IGEOVTLNLABVET-SFTDATJTSA-N 1 2 453.539 3.787 20 0 JHADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC001307756278 1070168498 /nfs/dbraw/zinc/16/84/98/1070168498.db2.gz ANVZKEFEHIAJQZ-PZJWPPBQSA-N 1 2 452.498 3.650 20 0 JHADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC001307756278 1070168505 /nfs/dbraw/zinc/16/85/05/1070168505.db2.gz ANVZKEFEHIAJQZ-PZJWPPBQSA-N 1 2 452.498 3.650 20 0 JHADLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC001307758998 1070170238 /nfs/dbraw/zinc/17/02/38/1070170238.db2.gz DYRAWHXDDCYAPU-QFIPXVFZSA-N 1 2 450.583 3.555 20 0 JHADLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC001307758998 1070170249 /nfs/dbraw/zinc/17/02/49/1070170249.db2.gz DYRAWHXDDCYAPU-QFIPXVFZSA-N 1 2 450.583 3.555 20 0 JHADLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307761827 1070172840 /nfs/dbraw/zinc/17/28/40/1070172840.db2.gz CRTMHHCQKRTBLA-HXUWFJFHSA-N 1 2 458.603 3.678 20 0 JHADLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307761827 1070172847 /nfs/dbraw/zinc/17/28/47/1070172847.db2.gz CRTMHHCQKRTBLA-HXUWFJFHSA-N 1 2 458.603 3.678 20 0 JHADLO O=C(C[N@H+]1CCCN(c2cccc(F)c2F)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307785066 1070181052 /nfs/dbraw/zinc/18/10/52/1070181052.db2.gz INDDAQOTCUVJRF-UHFFFAOYSA-N 1 2 456.537 3.788 20 0 JHADLO O=C(C[N@@H+]1CCCN(c2cccc(F)c2F)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307785066 1070181059 /nfs/dbraw/zinc/18/10/59/1070181059.db2.gz INDDAQOTCUVJRF-UHFFFAOYSA-N 1 2 456.537 3.788 20 0 JHADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H](CNC(=O)C(F)(F)F)C3)n2)cc1C ZINC001307808054 1070193282 /nfs/dbraw/zinc/19/32/82/1070193282.db2.gz JURHOOYTPWMGFC-OAHLLOKOSA-N 1 2 454.518 3.756 20 0 JHADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H](CNC(=O)C(F)(F)F)C3)n2)cc1C ZINC001307808054 1070193285 /nfs/dbraw/zinc/19/32/85/1070193285.db2.gz JURHOOYTPWMGFC-OAHLLOKOSA-N 1 2 454.518 3.756 20 0 JHADLO COc1ccccc1N1CC[C@H]([N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1=O ZINC001307813111 1070195138 /nfs/dbraw/zinc/19/51/38/1070195138.db2.gz KDPWHOKDCFHICA-ICSRJNTNSA-N 1 2 456.892 3.922 20 0 JHADLO COc1ccccc1N1CC[C@H]([N@@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1=O ZINC001307813111 1070195142 /nfs/dbraw/zinc/19/51/42/1070195142.db2.gz KDPWHOKDCFHICA-ICSRJNTNSA-N 1 2 456.892 3.922 20 0 JHADLO CCOCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314377354 1070218940 /nfs/dbraw/zinc/21/89/40/1070218940.db2.gz RWHTXWHJJRBTTE-GOTSBHOMSA-N 1 2 473.687 3.918 20 0 JHADLO CCO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900986 1070231884 /nfs/dbraw/zinc/23/18/84/1070231884.db2.gz UTNGINLTFVCMEN-MDASCCDHSA-N 1 2 472.413 3.960 20 0 JHADLO CCO[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900986 1070231894 /nfs/dbraw/zinc/23/18/94/1070231894.db2.gz UTNGINLTFVCMEN-MDASCCDHSA-N 1 2 472.413 3.960 20 0 JHADLO C[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001307921325 1070243021 /nfs/dbraw/zinc/24/30/21/1070243021.db2.gz VIQYOOFNCXKUCE-UHFFFAOYSA-N 1 2 459.472 3.935 20 0 JHADLO C[N@@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001307921325 1070243037 /nfs/dbraw/zinc/24/30/37/1070243037.db2.gz VIQYOOFNCXKUCE-UHFFFAOYSA-N 1 2 459.472 3.935 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001313068002 1070240059 /nfs/dbraw/zinc/24/00/59/1070240059.db2.gz UFXSLQJYAAHCHY-DFIYOIEZSA-N 1 2 453.587 3.935 20 0 JHADLO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961618 1070259135 /nfs/dbraw/zinc/25/91/35/1070259135.db2.gz GRDYYQZHBXMCOX-UUOWRZLLSA-N 1 2 456.612 3.952 20 0 JHADLO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961618 1070259147 /nfs/dbraw/zinc/25/91/47/1070259147.db2.gz GRDYYQZHBXMCOX-UUOWRZLLSA-N 1 2 456.612 3.952 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001313163764 1070275189 /nfs/dbraw/zinc/27/51/89/1070275189.db2.gz SMYCSNNHSIYYNB-NRFANRHFSA-N 1 2 452.599 3.513 20 0 JHADLO CCOCCN(C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[C@@H]1CCc2ccccc21 ZINC001313170290 1070279040 /nfs/dbraw/zinc/27/90/40/1070279040.db2.gz XJUGNDAGSWZMIS-AZGAKELHSA-N 1 2 451.611 3.931 20 0 JHADLO CCOCCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[C@@H]1CCc2ccccc21 ZINC001313170290 1070279052 /nfs/dbraw/zinc/27/90/52/1070279052.db2.gz XJUGNDAGSWZMIS-AZGAKELHSA-N 1 2 451.611 3.931 20 0 JHADLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC001308032719 1070287349 /nfs/dbraw/zinc/28/73/49/1070287349.db2.gz IMQKBAAULYSQTA-UHFFFAOYSA-N 1 2 456.546 3.981 20 0 JHADLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC001308032719 1070287359 /nfs/dbraw/zinc/28/73/59/1070287359.db2.gz IMQKBAAULYSQTA-UHFFFAOYSA-N 1 2 456.546 3.981 20 0 JHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001313207755 1070292895 /nfs/dbraw/zinc/29/28/95/1070292895.db2.gz QXMSFYTYWCTDQT-WOJBJXKFSA-N 1 2 457.456 3.526 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001308039674 1070289328 /nfs/dbraw/zinc/28/93/28/1070289328.db2.gz MORHHHPCXWLPDV-XWGVYQGASA-N 1 2 456.583 3.774 20 0 JHADLO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001308039674 1070289340 /nfs/dbraw/zinc/28/93/40/1070289340.db2.gz MORHHHPCXWLPDV-XWGVYQGASA-N 1 2 456.583 3.774 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2c[nH+]ccc2OC)C1 ZINC001314425862 1070302713 /nfs/dbraw/zinc/30/27/13/1070302713.db2.gz DKPJCJBEQFPASV-GOSISDBHSA-N 1 2 455.534 3.701 20 0 JHADLO O=C(NCCc1nc2c(s1)CCC2)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001313261761 1070309080 /nfs/dbraw/zinc/30/90/80/1070309080.db2.gz MTAAYNGKOBFJLQ-UHFFFAOYSA-N 1 2 454.518 3.600 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001314428396 1070309270 /nfs/dbraw/zinc/30/92/70/1070309270.db2.gz BNWLIBOTMFOVGL-WOJBJXKFSA-N 1 2 475.609 3.531 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001314428396 1070309287 /nfs/dbraw/zinc/30/92/87/1070309287.db2.gz BNWLIBOTMFOVGL-WOJBJXKFSA-N 1 2 475.609 3.531 20 0 JHADLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)N(C)[C@@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114235 1070318416 /nfs/dbraw/zinc/31/84/16/1070318416.db2.gz XCYODYDZEXXUFZ-MHECFPHRSA-N 1 2 458.990 3.783 20 0 JHADLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)N(C)[C@@]3(c4ccccc4Cl)CCCCC3=O)C2)n1 ZINC001308114235 1070318436 /nfs/dbraw/zinc/31/84/36/1070318436.db2.gz XCYODYDZEXXUFZ-MHECFPHRSA-N 1 2 458.990 3.783 20 0 JHADLO CCOC(=O)C1(CC(F)F)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC001308152452 1070330042 /nfs/dbraw/zinc/33/00/42/1070330042.db2.gz CPXNXBVQNCVNNT-UHFFFAOYSA-N 1 2 451.341 3.953 20 0 JHADLO COc1ccc([C@H]([NH2+]Cc2c3c(nn2C)CCSC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001308290051 1070353317 /nfs/dbraw/zinc/35/33/17/1070353317.db2.gz LAOWKFZEIDVSND-QHCPKHFHSA-N 1 2 457.621 3.501 20 0 JHADLO CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314459555 1070363650 /nfs/dbraw/zinc/36/36/50/1070363650.db2.gz AONNXJCODGGEAJ-UHFFFAOYSA-N 1 2 459.957 3.589 20 0 JHADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3cc(Br)ccc3F)c2)CC1 ZINC001308397158 1070368441 /nfs/dbraw/zinc/36/84/41/1070368441.db2.gz LFEDBVFSCVXMGF-UHFFFAOYSA-N 1 2 456.381 3.527 20 0 JHADLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]Cc3ccn(Cc4ccccc4)n3)o2)CC1 ZINC001308401204 1070370628 /nfs/dbraw/zinc/37/06/28/1070370628.db2.gz IHASPXDDRVVJSL-UHFFFAOYSA-N 1 2 451.571 3.871 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NCc2cccc3c2OCO3)CC1 ZINC001308426224 1070374451 /nfs/dbraw/zinc/37/44/51/1070374451.db2.gz GQBBQCIEESCVHU-UHFFFAOYSA-N 1 2 455.555 3.959 20 0 JHADLO CCOCCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314476288 1070386947 /nfs/dbraw/zinc/38/69/47/1070386947.db2.gz XTFJNFJMJBOKME-UHFFFAOYSA-N 1 2 471.005 3.741 20 0 JHADLO O=C(CN1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1)Nc1ccc(Br)cc1 ZINC001308569096 1070392043 /nfs/dbraw/zinc/39/20/43/1070392043.db2.gz DKECJWVOWPFMCY-UHFFFAOYSA-N 1 2 457.347 3.893 20 0 JHADLO CC[N@@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1COc2ccccc2O1 ZINC001308571775 1070392834 /nfs/dbraw/zinc/39/28/34/1070392834.db2.gz UGWBFKCYGOLKEN-ICSRJNTNSA-N 1 2 457.575 3.512 20 0 JHADLO CC[N@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1COc2ccccc2O1 ZINC001308571775 1070392846 /nfs/dbraw/zinc/39/28/46/1070392846.db2.gz UGWBFKCYGOLKEN-ICSRJNTNSA-N 1 2 457.575 3.512 20 0 JHADLO COc1ccc(C(=O)N2CC[NH+](Cc3cc4ccccc4c(OC)c3)CC2)c(OC)c1OC ZINC001308609257 1070400738 /nfs/dbraw/zinc/40/07/38/1070400738.db2.gz PPAIHOOQTWKXAV-UHFFFAOYSA-N 1 2 450.535 3.832 20 0 JHADLO COc1ccc(C(=O)NCC[NH+]2CCN(CCCc3c(Cl)cccc3Cl)CC2)cc1 ZINC001308635141 1070407690 /nfs/dbraw/zinc/40/76/90/1070407690.db2.gz VPSHZWHRYAKCKH-UHFFFAOYSA-N 1 2 450.410 3.982 20 0 JHADLO COc1ccc(C(=O)NCCN2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)cc1 ZINC001308635141 1070407698 /nfs/dbraw/zinc/40/76/98/1070407698.db2.gz VPSHZWHRYAKCKH-UHFFFAOYSA-N 1 2 450.410 3.982 20 0 JHADLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001308675924 1070415805 /nfs/dbraw/zinc/41/58/05/1070415805.db2.gz BVLHOXWQFGFYOG-UHFFFAOYSA-N 1 2 454.283 3.589 20 0 JHADLO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC001308683494 1070417694 /nfs/dbraw/zinc/41/76/94/1070417694.db2.gz DTCBYQXPUBWLCA-UHFFFAOYSA-N 1 2 454.354 3.595 20 0 JHADLO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC001308683494 1070417696 /nfs/dbraw/zinc/41/76/96/1070417696.db2.gz DTCBYQXPUBWLCA-UHFFFAOYSA-N 1 2 454.354 3.595 20 0 JHADLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(I)s3)CC2)c1C ZINC001308757682 1070431843 /nfs/dbraw/zinc/43/18/43/1070431843.db2.gz KQRHUDOIUCAJIK-UHFFFAOYSA-N 1 2 459.353 3.871 20 0 JHADLO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@H+](Cc3ccsc3Br)C2)nn1 ZINC001308806155 1070441098 /nfs/dbraw/zinc/44/10/98/1070441098.db2.gz NVGJAQLIRZPYRQ-OAHLLOKOSA-N 1 2 456.410 3.964 20 0 JHADLO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@@H+](Cc3ccsc3Br)C2)nn1 ZINC001308806155 1070441101 /nfs/dbraw/zinc/44/11/01/1070441101.db2.gz NVGJAQLIRZPYRQ-OAHLLOKOSA-N 1 2 456.410 3.964 20 0 JHADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC001308829002 1070444098 /nfs/dbraw/zinc/44/40/98/1070444098.db2.gz NSGDAGDCCHTMOH-UHFFFAOYSA-N 1 2 459.793 3.933 20 0 JHADLO COc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)c(Br)c1O ZINC001308829740 1070444205 /nfs/dbraw/zinc/44/42/05/1070444205.db2.gz WUWLBPUFNFBCTR-UHFFFAOYSA-N 1 2 458.150 3.963 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882444 1070454201 /nfs/dbraw/zinc/45/42/01/1070454201.db2.gz OKCYHIASNRYYNO-CLOONOSVSA-N 1 2 454.571 3.928 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882444 1070454209 /nfs/dbraw/zinc/45/42/09/1070454209.db2.gz OKCYHIASNRYYNO-CLOONOSVSA-N 1 2 454.571 3.928 20 0 JHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922858 1070459890 /nfs/dbraw/zinc/45/98/90/1070459890.db2.gz ZOTVRZZYJKFFEH-KGLIPLIRSA-N 1 2 459.559 3.893 20 0 JHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922858 1070459896 /nfs/dbraw/zinc/45/98/96/1070459896.db2.gz ZOTVRZZYJKFFEH-KGLIPLIRSA-N 1 2 459.559 3.893 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNc2cccc[nH+]2)CC1 ZINC001314509114 1070461648 /nfs/dbraw/zinc/46/16/48/1070461648.db2.gz NYPYKZIQCMQHNU-UHFFFAOYSA-N 1 2 489.045 3.899 20 0 JHADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309028346 1070494227 /nfs/dbraw/zinc/49/42/27/1070494227.db2.gz BQSJRGYBFHCNGP-SFHVURJKSA-N 1 2 457.379 3.895 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314604243 1070659984 /nfs/dbraw/zinc/65/99/84/1070659984.db2.gz LWSODVKLMHQATB-UNMCSNQZSA-N 1 2 473.687 3.710 20 0 JHADLO CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313566215 1070681326 /nfs/dbraw/zinc/68/13/26/1070681326.db2.gz NTYZVACJZXADIS-DHIUTWEWSA-N 1 2 498.672 3.922 20 0 JHADLO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC001313582480 1070703538 /nfs/dbraw/zinc/70/35/38/1070703538.db2.gz PRXJMMHPHKMOKN-HXUWFJFHSA-N 1 2 485.658 3.513 20 0 JHADLO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC001313583699 1070707325 /nfs/dbraw/zinc/70/73/25/1070707325.db2.gz JDHQPLKNDJWREZ-IBGZPJMESA-N 1 2 480.613 3.865 20 0 JHADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC[N@@H+]1Cc1ccccc1 ZINC001309345308 1070712366 /nfs/dbraw/zinc/71/23/66/1070712366.db2.gz DAFDJBHSPGSSHF-IBGZPJMESA-N 1 2 450.988 3.802 20 0 JHADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC001309345308 1070712376 /nfs/dbraw/zinc/71/23/76/1070712376.db2.gz DAFDJBHSPGSSHF-IBGZPJMESA-N 1 2 450.988 3.802 20 0 JHADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001309387724 1070738771 /nfs/dbraw/zinc/73/87/71/1070738771.db2.gz MGQMVAXIIPIFTQ-FQEVSTJZSA-N 1 2 452.576 3.912 20 0 JHADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001309387724 1070738779 /nfs/dbraw/zinc/73/87/79/1070738779.db2.gz MGQMVAXIIPIFTQ-FQEVSTJZSA-N 1 2 452.576 3.912 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313627106 1070756792 /nfs/dbraw/zinc/75/67/92/1070756792.db2.gz QYEBPOZZGDKJHB-GOSISDBHSA-N 1 2 470.025 3.977 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313627106 1070756802 /nfs/dbraw/zinc/75/68/02/1070756802.db2.gz QYEBPOZZGDKJHB-GOSISDBHSA-N 1 2 470.025 3.977 20 0 JHADLO CCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313634051 1070764970 /nfs/dbraw/zinc/76/49/70/1070764970.db2.gz LIAFMAZAQAIEKJ-UXHICEINSA-N 1 2 464.655 3.553 20 0 JHADLO C[NH+](C)[C@H](Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314655937 1070773852 /nfs/dbraw/zinc/77/38/52/1070773852.db2.gz UWTQTKPOPGXIMA-OAQYLSRUSA-N 1 2 488.627 3.996 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CC(C)(C)C)n1CCCOCC1CCOCC1)C2 ZINC001314663074 1070790407 /nfs/dbraw/zinc/79/04/07/1070790407.db2.gz BWIMGJNDLABKIP-UHFFFAOYSA-N 1 2 470.662 3.724 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cscn2)c[nH+]1 ZINC001314660815 1070785286 /nfs/dbraw/zinc/78/52/86/1070785286.db2.gz LLBQIPVZPXXTGR-UHFFFAOYSA-N 1 2 473.404 3.638 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)c[nH+]1 ZINC001314661159 1070785957 /nfs/dbraw/zinc/78/59/57/1070785957.db2.gz LABFOPUGNNSLQC-GOSISDBHSA-N 1 2 491.587 3.747 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3cccc(OC(F)F)c3)n1CCCCCO)C2 ZINC001314664181 1070793525 /nfs/dbraw/zinc/79/35/25/1070793525.db2.gz NEZVCGXIKWWNMP-UHFFFAOYSA-N 1 2 472.540 3.733 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccc(F)cc3)n1CCCOCC(F)F)C2 ZINC001314664056 1070793559 /nfs/dbraw/zinc/79/35/59/1070793559.db2.gz LQLYWJIPRSPMPP-UHFFFAOYSA-N 1 2 474.531 3.704 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001313646891 1070809882 /nfs/dbraw/zinc/80/98/82/1070809882.db2.gz ILBUYBGRDVVYPE-LJQANCHMSA-N 1 2 484.670 3.777 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001313648676 1070817512 /nfs/dbraw/zinc/81/75/12/1070817512.db2.gz USCMNURXUNJVBV-OAQYLSRUSA-N 1 2 493.681 3.511 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC=CCC2)CC1 ZINC001313647508 1070813407 /nfs/dbraw/zinc/81/34/07/1070813407.db2.gz BVLBRDIRRRLPTI-HXUWFJFHSA-N 1 2 471.049 3.945 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(CC)CCCC2)CC1 ZINC001313648114 1070814632 /nfs/dbraw/zinc/81/46/32/1070814632.db2.gz KYRNZUXXMSLNGD-UHFFFAOYSA-N 1 2 482.673 3.915 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC001313648059 1070814960 /nfs/dbraw/zinc/81/49/60/1070814960.db2.gz UZOBVNAIVGKKLD-JOCHJYFZSA-N 1 2 494.640 3.613 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 ZINC001314712640 1070898564 /nfs/dbraw/zinc/89/85/64/1070898564.db2.gz TUQGWVJPIJOGHN-XUVXKRRUSA-N 1 2 461.676 3.698 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCn3cc(C(F)(F)F)nc3C2)c[nH+]1 ZINC001313672089 1070902432 /nfs/dbraw/zinc/90/24/32/1070902432.db2.gz AJMVZNRXKQDILQ-UHFFFAOYSA-N 1 2 462.524 3.927 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001313673262 1070906591 /nfs/dbraw/zinc/90/65/91/1070906591.db2.gz KPRSTYVYLNTYRM-RTBURBONSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H]2C)c[nH+]1 ZINC001313674694 1070913330 /nfs/dbraw/zinc/91/33/30/1070913330.db2.gz WRDLTKXAVAAMHK-GOSISDBHSA-N 1 2 468.627 3.627 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313675792 1070917332 /nfs/dbraw/zinc/91/73/32/1070917332.db2.gz QNWXYXLGHVXUAH-MOPGFXCFSA-N 1 2 465.664 3.655 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H]2CCO[C@H]2C(C)(C)C)c[nH+]1 ZINC001313677946 1070927625 /nfs/dbraw/zinc/92/76/25/1070927625.db2.gz BJLCVFGFRRFQIS-WIYYLYMNSA-N 1 2 452.607 3.963 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CC(N)=O)C2)c[nH+]1 ZINC001313676619 1070922003 /nfs/dbraw/zinc/92/20/03/1070922003.db2.gz AEGXROIGDZUSEZ-HXUWFJFHSA-N 1 2 461.614 3.635 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(=O)NC(C)C)c[nH+]1 ZINC001313676986 1070923501 /nfs/dbraw/zinc/92/35/01/1070923501.db2.gz HCVOSYQPXYXXMJ-UHFFFAOYSA-N 1 2 486.624 3.744 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC(N(C)C(C)=O)CC2)c[nH+]1 ZINC001313677566 1070926049 /nfs/dbraw/zinc/92/60/49/1070926049.db2.gz UFRUHEBFYOHTRZ-UHFFFAOYSA-N 1 2 479.604 3.821 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC001313677933 1070927522 /nfs/dbraw/zinc/92/75/22/1070927522.db2.gz BCNRDDUCLIFKTK-IFMALSPDSA-N 1 2 497.688 3.798 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccccc2)c[nH+]1 ZINC001313678549 1070929976 /nfs/dbraw/zinc/92/99/76/1070929976.db2.gz CRIOETHWRGFHCT-KNQAVFIVSA-N 1 2 482.654 3.667 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCCOC3)C2)c[nH+]1 ZINC001313678794 1070931545 /nfs/dbraw/zinc/93/15/45/1070931545.db2.gz JANXVAQOHRIFOI-FNZWTVRRSA-N 1 2 470.662 3.931 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)S[C@@H](C)C2)c[nH+]1 ZINC001313678948 1070932946 /nfs/dbraw/zinc/93/29/46/1070932946.db2.gz NICBQWAWTHKCDL-ROUUACIJSA-N 1 2 499.710 3.889 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(OC)C2)c[nH+]1 ZINC001313680437 1070939020 /nfs/dbraw/zinc/93/90/20/1070939020.db2.gz ZGBJZIXKLQDDNX-RUZDIDTESA-N 1 2 497.669 3.564 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCC(C(=O)Nc4nncs4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313679779 1070936243 /nfs/dbraw/zinc/93/62/43/1070936243.db2.gz UEKNUTFUGQURCV-UHFFFAOYSA-N 1 2 497.673 3.572 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCO[C@](C)(CC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313680202 1070937629 /nfs/dbraw/zinc/93/76/29/1070937629.db2.gz XOQWKRHYYPBFCK-CLJLJLNGSA-N 1 2 486.661 3.614 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cnn(C)c2)c[nH+]1 ZINC001313680482 1070937817 /nfs/dbraw/zinc/93/78/17/1070937817.db2.gz STJFZXFZGNNXEU-UHFFFAOYSA-N 1 2 462.577 3.667 20 0 JHADLO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314731640 1070950304 /nfs/dbraw/zinc/95/03/04/1070950304.db2.gz QCUDSGQIECVQJZ-KRWDZBQOSA-N 1 2 454.040 3.982 20 0 JHADLO CN(CC1CC(F)C1)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314782543 1071057981 /nfs/dbraw/zinc/05/79/81/1071057981.db2.gz CTNMVCOYJKMZTP-UGZUTAHUSA-N 1 2 451.537 3.938 20 0 JHADLO CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c[nH+]ccc1OC ZINC001313748183 1071078049 /nfs/dbraw/zinc/07/80/49/1071078049.db2.gz ITLKTMFZFODDDB-HSZRJFAPSA-N 1 2 457.600 3.859 20 0 JHADLO CCOC1CC(CNC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)([NH+]2CCOCC2)C1 ZINC001310054615 1071086604 /nfs/dbraw/zinc/08/66/04/1071086604.db2.gz WSBZFCNVSULCHW-UHFFFAOYSA-N 1 2 453.583 3.677 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001313754259 1071093342 /nfs/dbraw/zinc/09/33/42/1071093342.db2.gz XIYKHZQTWFXUHD-QFIPXVFZSA-N 1 2 495.672 3.906 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1c[nH+]ccc1OC ZINC001313755250 1071095062 /nfs/dbraw/zinc/09/50/62/1071095062.db2.gz JKQATQNXSOJAEA-UHFFFAOYSA-N 1 2 451.962 3.734 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC(C)C ZINC001313780150 1071144261 /nfs/dbraw/zinc/14/42/61/1071144261.db2.gz XKQSQRCZSOXXEQ-UHFFFAOYSA-N 1 2 491.640 3.616 20 0 JHADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001310138382 1071147165 /nfs/dbraw/zinc/14/71/65/1071147165.db2.gz CCGWAMIJVDKAOA-OALUTQOASA-N 1 2 458.603 3.985 20 0 JHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001310138383 1071147177 /nfs/dbraw/zinc/14/71/77/1071147177.db2.gz CCGWAMIJVDKAOA-RTBURBONSA-N 1 2 458.603 3.985 20 0 JHADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001310139480 1071147886 /nfs/dbraw/zinc/14/78/86/1071147886.db2.gz KDDABIJZQDOSEC-VGUOSERISA-N 1 2 464.582 3.765 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313782590 1071148424 /nfs/dbraw/zinc/14/84/24/1071148424.db2.gz JGHDUAIFAGZLPH-HKUYNNGSSA-N 1 2 498.455 3.890 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)C[C@H](C)O1 ZINC001310140072 1071148469 /nfs/dbraw/zinc/14/84/69/1071148469.db2.gz OWFXUXGOLGFWAM-TWWGPRNNSA-N 1 2 459.612 3.714 20 0 JHADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)C[C@H](C)O1 ZINC001310140072 1071148483 /nfs/dbraw/zinc/14/84/83/1071148483.db2.gz OWFXUXGOLGFWAM-TWWGPRNNSA-N 1 2 459.612 3.714 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC001310189010 1071194576 /nfs/dbraw/zinc/19/45/76/1071194576.db2.gz XBIHKWJJKLNNIV-LEWJYISDSA-N 1 2 451.926 3.698 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC001310189010 1071194581 /nfs/dbraw/zinc/19/45/81/1071194581.db2.gz XBIHKWJJKLNNIV-LEWJYISDSA-N 1 2 451.926 3.698 20 0 JHADLO CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)C1)CCC(F)(F)F ZINC001313801995 1071206546 /nfs/dbraw/zinc/20/65/46/1071206546.db2.gz BBIDWFQHOYJGNW-QGZVFWFLSA-N 1 2 487.592 3.859 20 0 JHADLO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)C1)CCC(F)(F)F ZINC001313801995 1071206555 /nfs/dbraw/zinc/20/65/55/1071206555.db2.gz BBIDWFQHOYJGNW-QGZVFWFLSA-N 1 2 487.592 3.859 20 0 JHADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC001310276593 1071260125 /nfs/dbraw/zinc/26/01/25/1071260125.db2.gz WTLHYBUPUHSJTP-UHFFFAOYSA-N 1 2 455.868 3.614 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc4c(c3)CCC(=O)N4C)[nH+]c12 ZINC001310287151 1071271396 /nfs/dbraw/zinc/27/13/96/1071271396.db2.gz FOSZRKNCMRESFH-UHFFFAOYSA-N 1 2 456.344 3.678 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 ZINC001314871106 1071283393 /nfs/dbraw/zinc/28/33/93/1071283393.db2.gz MBNZZLGQEZAIAQ-YADHBBJMSA-N 1 2 488.677 3.517 20 0 JHADLO CCCN1C(=O)CCc2cc(NC(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)ccc21 ZINC001310473999 1071415525 /nfs/dbraw/zinc/41/55/25/1071415525.db2.gz NIWLXQLRNDNCLN-UHFFFAOYSA-N 1 2 450.587 3.952 20 0 JHADLO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2c[nH+]ccc2OC)C1 ZINC001314995701 1071512591 /nfs/dbraw/zinc/51/25/91/1071512591.db2.gz QSUMDMYDBZPILT-FQEVSTJZSA-N 1 2 492.624 3.703 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313926517 1071577069 /nfs/dbraw/zinc/57/70/69/1071577069.db2.gz DDPBSYNOBJTOPW-KCWPFWIISA-N 1 2 484.689 3.587 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313926986 1071578828 /nfs/dbraw/zinc/57/88/28/1071578828.db2.gz GTEVZOBKITXMSR-XPWALMASSA-N 1 2 454.663 3.592 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929374 1071586719 /nfs/dbraw/zinc/58/67/19/1071586719.db2.gz ZEXONPNXEGXBGZ-JOCHJYFZSA-N 1 2 484.689 3.764 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001313932685 1071596402 /nfs/dbraw/zinc/59/64/02/1071596402.db2.gz LSCUKOCPHADBIO-WOJBJXKFSA-N 1 2 473.687 3.598 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001313932685 1071596409 /nfs/dbraw/zinc/59/64/09/1071596409.db2.gz LSCUKOCPHADBIO-WOJBJXKFSA-N 1 2 473.687 3.598 20 0 JHADLO CCn1nc(-c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)c2ccccc2c1=O ZINC001313959765 1071667366 /nfs/dbraw/zinc/66/73/66/1071667366.db2.gz ZMZAOMYTJBBZKX-UHFFFAOYSA-N 1 2 474.613 3.667 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314015944 1071758165 /nfs/dbraw/zinc/75/81/65/1071758165.db2.gz DCXZJTZXGPNRHY-LPHOPBHVSA-N 1 2 464.561 3.651 20 0 JHADLO CCO[C@]1(c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314139380 1072052164 /nfs/dbraw/zinc/05/21/64/1072052164.db2.gz HLEBKGORDBQXCI-CLJLJLNGSA-N 1 2 471.646 3.908 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CCC=C(C)C)cc1 ZINC001305947015 1068263378 /nfs/dbraw/zinc/26/33/78/1068263378.db2.gz HPVIJTCTUHKRKH-FQEVSTJZSA-N 1 2 450.631 3.653 20 0 JHADLO CCc1ccc(CCn2c(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001305959249 1068289454 /nfs/dbraw/zinc/28/94/54/1068289454.db2.gz CJYFEXBCAQBADD-NRFANRHFSA-N 1 2 466.674 3.514 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001306002222 1068375044 /nfs/dbraw/zinc/37/50/44/1068375044.db2.gz IDZQVUGDFAZCHZ-SFHVURJKSA-N 1 2 485.658 3.535 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001306005102 1068382427 /nfs/dbraw/zinc/38/24/27/1068382427.db2.gz GJAMATLLSJMDEA-PKOBYXMFSA-N 1 2 469.659 3.509 20 0 JHADLO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001306134619 1068537673 /nfs/dbraw/zinc/53/76/73/1068537673.db2.gz NEDVZWNJPSZJNI-UHFFFAOYSA-N 1 2 467.618 3.814 20 0 JHADLO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001306187562 1068579154 /nfs/dbraw/zinc/57/91/54/1068579154.db2.gz JCDDBTHRPVZSCF-UHFFFAOYSA-N 1 2 469.634 3.579 20 0 JHADLO CCc1nnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001306196383 1068588097 /nfs/dbraw/zinc/58/80/97/1068588097.db2.gz YDXMIQGOSDGSPH-KRWDZBQOSA-N 1 2 490.599 3.869 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306261121 1068671319 /nfs/dbraw/zinc/67/13/19/1068671319.db2.gz SXNKBSMNKQYLDI-DENIHFKCSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001306261121 1068671324 /nfs/dbraw/zinc/67/13/24/1068671324.db2.gz SXNKBSMNKQYLDI-DENIHFKCSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306263972 1068677046 /nfs/dbraw/zinc/67/70/46/1068677046.db2.gz ZXRUXNNTPRZFMR-NQIIRXRSSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001306263972 1068677052 /nfs/dbraw/zinc/67/70/52/1068677052.db2.gz ZXRUXNNTPRZFMR-NQIIRXRSSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306283986 1068701467 /nfs/dbraw/zinc/70/14/67/1068701467.db2.gz NZLZTDBXYHAELB-XMSQKQJNSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306283986 1068701478 /nfs/dbraw/zinc/70/14/78/1068701478.db2.gz NZLZTDBXYHAELB-XMSQKQJNSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306387696 1068821872 /nfs/dbraw/zinc/82/18/72/1068821872.db2.gz HJEXDRDRSDDYJD-IBGZPJMESA-N 1 2 487.029 3.645 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306454727 1068977177 /nfs/dbraw/zinc/97/71/77/1068977177.db2.gz WCQQYONKYUJAOP-IRLDBZIGSA-N 1 2 464.614 3.987 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306456357 1068980943 /nfs/dbraw/zinc/98/09/43/1068980943.db2.gz BVMBERKXUBYARQ-RJJVWVDVSA-N 1 2 456.635 3.710 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001306456462 1068981812 /nfs/dbraw/zinc/98/18/12/1068981812.db2.gz FIDJSRDDFZQNCR-UXHICEINSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001306456462 1068981821 /nfs/dbraw/zinc/98/18/21/1068981821.db2.gz FIDJSRDDFZQNCR-UXHICEINSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306467680 1069008089 /nfs/dbraw/zinc/00/80/89/1069008089.db2.gz WECBKNXVMRETRY-MJUUVYJYSA-N 1 2 499.660 3.562 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306494694 1069038173 /nfs/dbraw/zinc/03/81/73/1069038173.db2.gz DJVKUVYZMJOQDZ-NRFANRHFSA-N 1 2 467.662 3.894 20 0 JHADLO O=C(Nc1ccc(OC(F)F)nc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001310623275 1069065842 /nfs/dbraw/zinc/06/58/42/1069065842.db2.gz DNHSWTBXLMAMRB-UHFFFAOYSA-N 1 2 456.247 3.969 20 0 JHADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001310705362 1069122213 /nfs/dbraw/zinc/12/22/13/1069122213.db2.gz BEKYNZIXYQRCSU-UHFFFAOYSA-N 1 2 459.494 3.678 20 0 JHADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001310705362 1069122217 /nfs/dbraw/zinc/12/22/17/1069122217.db2.gz BEKYNZIXYQRCSU-UHFFFAOYSA-N 1 2 459.494 3.678 20 0 JHADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC001310743927 1069146969 /nfs/dbraw/zinc/14/69/69/1069146969.db2.gz QXOVSTXXUURKME-GOSISDBHSA-N 1 2 450.381 3.719 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306531906 1069172936 /nfs/dbraw/zinc/17/29/36/1069172936.db2.gz WSHDZDNTPYNHKB-IGKIAQTJSA-N 1 2 468.690 3.663 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2nc(Cc3ccc(F)cc3)no2)[C@@H](C)C1 ZINC001310813648 1069174937 /nfs/dbraw/zinc/17/49/37/1069174937.db2.gz XOCSRLNZYXQJKM-KRWDZBQOSA-N 1 2 453.518 3.936 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2nc(Cc3ccc(F)cc3)no2)[C@@H](C)C1 ZINC001310813648 1069174945 /nfs/dbraw/zinc/17/49/45/1069174945.db2.gz XOCSRLNZYXQJKM-KRWDZBQOSA-N 1 2 453.518 3.936 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306533954 1069176837 /nfs/dbraw/zinc/17/68/37/1069176837.db2.gz XJNRDBJCPZEUSW-NBGIEHNGSA-N 1 2 475.081 3.754 20 0 JHADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001310987993 1069241285 /nfs/dbraw/zinc/24/12/85/1069241285.db2.gz RVCZYMQUFGQLFP-UHFFFAOYSA-N 1 2 453.465 3.956 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306581059 1069245950 /nfs/dbraw/zinc/24/59/50/1069245950.db2.gz OAHGOMGEUIRBMX-HBMCJLEFSA-N 1 2 478.682 3.738 20 0 JHADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164660734 719350431 /nfs/dbraw/zinc/35/04/31/719350431.db2.gz YDSLKIZHPSCXRY-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164660734 719350434 /nfs/dbraw/zinc/35/04/34/719350434.db2.gz YDSLKIZHPSCXRY-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164659777 719350978 /nfs/dbraw/zinc/35/09/78/719350978.db2.gz RWYOVWMNCBKSEZ-UHFFFAOYSA-N 1 2 452.006 3.891 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164659777 719350981 /nfs/dbraw/zinc/35/09/81/719350981.db2.gz RWYOVWMNCBKSEZ-UHFFFAOYSA-N 1 2 452.006 3.891 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164659524 719351229 /nfs/dbraw/zinc/35/12/29/719351229.db2.gz QKCOFWCXMXNKIE-UHFFFAOYSA-N 1 2 486.407 3.577 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164659524 719351231 /nfs/dbraw/zinc/35/12/31/719351231.db2.gz QKCOFWCXMXNKIE-UHFFFAOYSA-N 1 2 486.407 3.577 20 0 JHADLO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164663931 719359733 /nfs/dbraw/zinc/35/97/33/719359733.db2.gz JGOLGFHZHQOMIO-UHFFFAOYSA-N 1 2 476.650 3.579 20 0 JHADLO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164663931 719359737 /nfs/dbraw/zinc/35/97/37/719359737.db2.gz JGOLGFHZHQOMIO-UHFFFAOYSA-N 1 2 476.650 3.579 20 0 JHADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670688 719523256 /nfs/dbraw/zinc/52/32/56/719523256.db2.gz FDFKLNOCNOIRPB-UHFFFAOYSA-N 1 2 490.645 3.559 20 0 JHADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670688 719523259 /nfs/dbraw/zinc/52/32/59/719523259.db2.gz FDFKLNOCNOIRPB-UHFFFAOYSA-N 1 2 490.645 3.559 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)cc1 ZINC001164698112 719830139 /nfs/dbraw/zinc/83/01/39/719830139.db2.gz QTKKNCKHDRZLSI-UHFFFAOYSA-N 1 2 472.927 3.766 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164707136 719873564 /nfs/dbraw/zinc/87/35/64/719873564.db2.gz QSLSYNDJMORJHJ-DYESRHJHSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001164702225 719878299 /nfs/dbraw/zinc/87/82/99/719878299.db2.gz PGKSLUNMJYUZQP-AOMKIAJQSA-N 1 2 481.380 3.808 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001164705367 719878380 /nfs/dbraw/zinc/87/83/80/719878380.db2.gz YIEJHDWHUIIOPJ-ZHRRBRCNSA-N 1 2 481.380 3.808 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164725430 720313168 /nfs/dbraw/zinc/31/31/68/720313168.db2.gz VJTWXAFCMFGARJ-CQSZACIVSA-N 1 2 454.934 3.907 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCc4c([nH+]cn4C(C)C)[C@H]3CNC(C)=O)nc(Cl)c2c1 ZINC001164722857 720316137 /nfs/dbraw/zinc/31/61/37/720316137.db2.gz MIYCTKHVZGUXRM-GOSISDBHSA-N 1 2 478.931 3.854 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCc4c([nH+]cn4C(C)C)[C@@H]3CNC(C)=O)nc(Cl)c2c1 ZINC001164722859 720316207 /nfs/dbraw/zinc/31/62/07/720316207.db2.gz MIYCTKHVZGUXRM-SFHVURJKSA-N 1 2 478.931 3.854 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ncc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164819272 720371684 /nfs/dbraw/zinc/37/16/84/720371684.db2.gz BBYIWWOZLBNULN-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ncc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164819272 720371688 /nfs/dbraw/zinc/37/16/88/720371688.db2.gz BBYIWWOZLBNULN-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO COc1ccc2c(cc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164819974 720374466 /nfs/dbraw/zinc/37/44/66/720374466.db2.gz KEWXTFMPXCXUFJ-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO COc1ccc2c(cc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164819974 720374471 /nfs/dbraw/zinc/37/44/71/720374471.db2.gz KEWXTFMPXCXUFJ-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4ccn5C(C)C)CC3)C2=O)cs1 ZINC001164819757 720378366 /nfs/dbraw/zinc/37/83/66/720378366.db2.gz IFSLMZPRGMJPKR-UHFFFAOYSA-N 1 2 488.061 3.744 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4ccn5C(C)C)CC3)C2=O)cs1 ZINC001164819757 720378369 /nfs/dbraw/zinc/37/83/69/720378369.db2.gz IFSLMZPRGMJPKR-UHFFFAOYSA-N 1 2 488.061 3.744 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(SCc3ccccc3)ccn1)C2 ZINC001164828751 720473669 /nfs/dbraw/zinc/47/36/69/720473669.db2.gz AIVYFRZIWZUWKK-QFIPXVFZSA-N 1 2 479.650 3.560 20 0 JHADLO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164845680 720765120 /nfs/dbraw/zinc/76/51/20/720765120.db2.gz GCXPKFVGGACBMA-SVBPBHIXSA-N 1 2 495.627 3.814 20 0 JHADLO O=C(c1cccnc1)N1CCC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)CC1 ZINC001164860840 720893812 /nfs/dbraw/zinc/89/38/12/720893812.db2.gz VEFXWYVFFSGUJM-UHFFFAOYSA-N 1 2 468.605 3.563 20 0 JHADLO O=C(c1cccnc1)N1CCC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)CC1 ZINC001164860840 720893816 /nfs/dbraw/zinc/89/38/16/720893816.db2.gz VEFXWYVFFSGUJM-UHFFFAOYSA-N 1 2 468.605 3.563 20 0 JHADLO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860938 720897744 /nfs/dbraw/zinc/89/77/44/720897744.db2.gz WMQCHVJHWCMZJY-GIGWZHCTSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860938 720897750 /nfs/dbraw/zinc/89/77/50/720897750.db2.gz WMQCHVJHWCMZJY-GIGWZHCTSA-N 1 2 483.616 3.593 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164755771 720975237 /nfs/dbraw/zinc/97/52/37/720975237.db2.gz BTUQORZXVKEMRT-NRFANRHFSA-N 1 2 479.028 3.948 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759300 720979875 /nfs/dbraw/zinc/97/98/75/720979875.db2.gz ZWGWHBKXMWJDOO-MRXNPFEDSA-N 1 2 460.916 3.996 20 0 JHADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)[C@H]2C ZINC001164862552 721012104 /nfs/dbraw/zinc/01/21/04/721012104.db2.gz QYSNHBXHMPQLCD-KRWDZBQOSA-N 1 2 472.590 3.639 20 0 JHADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)[C@H]2C ZINC001164862552 721012109 /nfs/dbraw/zinc/01/21/09/721012109.db2.gz QYSNHBXHMPQLCD-KRWDZBQOSA-N 1 2 472.590 3.639 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@]5(C[C@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760861 721026744 /nfs/dbraw/zinc/02/67/44/721026744.db2.gz QBKDBAIMHIOKLK-CUBQBAPOSA-N 1 2 471.605 3.775 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@]5(C[C@H](OCc6ccccn6)CO5)C4)c3C2)cc1 ZINC001164760861 721026750 /nfs/dbraw/zinc/02/67/50/721026750.db2.gz QBKDBAIMHIOKLK-CUBQBAPOSA-N 1 2 471.605 3.775 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001165008516 721713509 /nfs/dbraw/zinc/71/35/09/721713509.db2.gz FWPUYFXDAGJFCY-UHFFFAOYSA-N 1 2 453.978 3.829 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001165008516 721713516 /nfs/dbraw/zinc/71/35/16/721713516.db2.gz FWPUYFXDAGJFCY-UHFFFAOYSA-N 1 2 453.978 3.829 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001165011850 721716594 /nfs/dbraw/zinc/71/65/94/721716594.db2.gz WPGUKJLLCQKJAV-UHFFFAOYSA-N 1 2 450.572 3.702 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001165011850 721716599 /nfs/dbraw/zinc/71/65/99/721716599.db2.gz WPGUKJLLCQKJAV-UHFFFAOYSA-N 1 2 450.572 3.702 20 0 JHADLO Clc1cc(-c2ccccc2)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917605 721781737 /nfs/dbraw/zinc/78/17/37/721781737.db2.gz YFJOOKFKHFLUQB-RUZDIDTESA-N 1 2 450.970 3.905 20 0 JHADLO Clc1cc(-c2ccccc2)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917605 721781743 /nfs/dbraw/zinc/78/17/43/721781743.db2.gz YFJOOKFKHFLUQB-RUZDIDTESA-N 1 2 450.970 3.905 20 0 JHADLO CC(C)(C)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164914955 721792995 /nfs/dbraw/zinc/79/29/95/721792995.db2.gz SBAOERAQAWJMND-SANMLTNESA-N 1 2 453.631 3.574 20 0 JHADLO CC(C)(C)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164914955 721792998 /nfs/dbraw/zinc/79/29/98/721792998.db2.gz SBAOERAQAWJMND-SANMLTNESA-N 1 2 453.631 3.574 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CC1 ZINC001164918775 721818773 /nfs/dbraw/zinc/81/87/73/721818773.db2.gz VAJFVPGFYMVNLH-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CC1 ZINC001164918775 721818774 /nfs/dbraw/zinc/81/87/74/721818774.db2.gz VAJFVPGFYMVNLH-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164948919 721980645 /nfs/dbraw/zinc/98/06/45/721980645.db2.gz NDSVBLABCNJMSJ-UHFFFAOYSA-N 1 2 471.001 3.661 20 0 JHADLO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164948919 721980647 /nfs/dbraw/zinc/98/06/47/721980647.db2.gz NDSVBLABCNJMSJ-UHFFFAOYSA-N 1 2 471.001 3.661 20 0 JHADLO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164975797 722091310 /nfs/dbraw/zinc/09/13/10/722091310.db2.gz QRFAPJWTVMHGDL-QHCPKHFHSA-N 1 2 459.638 3.948 20 0 JHADLO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164975797 722091312 /nfs/dbraw/zinc/09/13/12/722091312.db2.gz QRFAPJWTVMHGDL-QHCPKHFHSA-N 1 2 459.638 3.948 20 0 JHADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@@H]32)cs1 ZINC001164983576 722177064 /nfs/dbraw/zinc/17/70/64/722177064.db2.gz BMDYQCADGUJDBZ-IZZNHLLZSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@@H]32)cs1 ZINC001164983576 722177066 /nfs/dbraw/zinc/17/70/66/722177066.db2.gz BMDYQCADGUJDBZ-IZZNHLLZSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(N2CCN(C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)CC2)cc[nH+]1 ZINC001311296528 1069319767 /nfs/dbraw/zinc/31/97/67/1069319767.db2.gz PMQMVUMTZKNTMS-UHFFFAOYSA-N 1 2 454.575 3.899 20 0 JHADLO O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311349247 1069335770 /nfs/dbraw/zinc/33/57/70/1069335770.db2.gz LWSMQSDUWLUJGR-LJQANCHMSA-N 1 2 452.382 3.963 20 0 JHADLO O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311349247 1069335784 /nfs/dbraw/zinc/33/57/84/1069335784.db2.gz LWSMQSDUWLUJGR-LJQANCHMSA-N 1 2 452.382 3.963 20 0 JHADLO CO[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CC1(C)C ZINC001311377795 1069351254 /nfs/dbraw/zinc/35/12/54/1069351254.db2.gz GGFOMGOBULTYIA-QFIPXVFZSA-N 1 2 455.578 3.504 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001311449190 1069384080 /nfs/dbraw/zinc/38/40/80/1069384080.db2.gz VPUGIOIWCKLWAD-REWPJTCUSA-N 1 2 450.514 3.773 20 0 JHADLO COc1cc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1OCC(F)(F)F ZINC001311500278 1069409675 /nfs/dbraw/zinc/40/96/75/1069409675.db2.gz IWWVAKHUAQJPGE-MRXNPFEDSA-N 1 2 452.477 3.620 20 0 JHADLO CN(C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@@H](CCc1ccccc1)C(F)F ZINC001311517988 1069419330 /nfs/dbraw/zinc/41/93/30/1069419330.db2.gz PVVJQGUHIRZZFO-QFIPXVFZSA-N 1 2 458.553 3.997 20 0 JHADLO CCCCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001306690804 1069427817 /nfs/dbraw/zinc/42/78/17/1069427817.db2.gz SWOOCZSDHZWIIE-UHFFFAOYSA-N 1 2 465.440 3.537 20 0 JHADLO O=C(NCCCCn1cc[nH+]c1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311655027 1069490793 /nfs/dbraw/zinc/49/07/93/1069490793.db2.gz YCSOZKWENQGVSF-UHFFFAOYSA-N 1 2 453.356 3.656 20 0 JHADLO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001306741844 1069518724 /nfs/dbraw/zinc/51/87/24/1069518724.db2.gz ISYSMQVMXFBOJL-UHFFFAOYSA-N 1 2 469.678 3.998 20 0 JHADLO O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311794591 1069548138 /nfs/dbraw/zinc/54/81/38/1069548138.db2.gz MNAANVMDYKAEGY-PKTZIBPZSA-N 1 2 453.974 3.651 20 0 JHADLO C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311783704 1069544700 /nfs/dbraw/zinc/54/47/00/1069544700.db2.gz MCNRFPMXLKIEHH-FDDCHVKYSA-N 1 2 451.546 3.785 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001311922636 1069614117 /nfs/dbraw/zinc/61/41/17/1069614117.db2.gz JGUIZJHGDVGGTJ-QFIPXVFZSA-N 1 2 452.580 3.647 20 0 JHADLO C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311984040 1069650262 /nfs/dbraw/zinc/65/02/62/1069650262.db2.gz OEFULODEJFBERF-MRXNPFEDSA-N 1 2 456.990 3.607 20 0 JHADLO C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311984040 1069650265 /nfs/dbraw/zinc/65/02/65/1069650265.db2.gz OEFULODEJFBERF-MRXNPFEDSA-N 1 2 456.990 3.607 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042480 1069689088 /nfs/dbraw/zinc/68/90/88/1069689088.db2.gz YSXOYPXLHQYLDR-FCHUYYIVSA-N 1 2 457.018 3.817 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042480 1069689093 /nfs/dbraw/zinc/68/90/93/1069689093.db2.gz YSXOYPXLHQYLDR-FCHUYYIVSA-N 1 2 457.018 3.817 20 0 JHADLO COc1ccccc1[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001312044042 1069689821 /nfs/dbraw/zinc/68/98/21/1069689821.db2.gz ARJOVUTVAMIPSM-DNQXCXABSA-N 1 2 451.611 3.918 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001312096494 1069719044 /nfs/dbraw/zinc/71/90/44/1069719044.db2.gz CDZIYESVHZZWRP-LJQANCHMSA-N 1 2 459.635 3.620 20 0 JHADLO CC(C)n1cc(C2=CCCN(C(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)CC2)nn1 ZINC001312098243 1069719826 /nfs/dbraw/zinc/71/98/26/1069719826.db2.gz ZNPVIQCLVSLDGS-UHFFFAOYSA-N 1 2 451.619 3.783 20 0 JHADLO CCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001307014518 1069720749 /nfs/dbraw/zinc/72/07/49/1069720749.db2.gz KRABZTRBMXDGFY-SFHVURJKSA-N 1 2 451.575 3.652 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H]3CC)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314196416 1069774449 /nfs/dbraw/zinc/77/44/49/1069774449.db2.gz YPBOMOGOFCCROF-OTPAQWSUSA-N 1 2 498.672 3.606 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314221009 1069869974 /nfs/dbraw/zinc/86/99/74/1069869974.db2.gz ANYUYZYOWARVFI-WMZHIEFXSA-N 1 2 480.613 3.626 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H]2C(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001314224154 1069883273 /nfs/dbraw/zinc/88/32/73/1069883273.db2.gz LOADGHANYUAQMW-LEWJYISDSA-N 1 2 457.619 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H]2C(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001314224154 1069883301 /nfs/dbraw/zinc/88/33/01/1069883301.db2.gz LOADGHANYUAQMW-LEWJYISDSA-N 1 2 457.619 3.601 20 0 JHADLO COC(=O)C1(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)CC1 ZINC001307246248 1069913899 /nfs/dbraw/zinc/91/38/99/1069913899.db2.gz SUOQEMMKHACLET-UHFFFAOYSA-N 1 2 452.527 3.900 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424111 1069926463 /nfs/dbraw/zinc/92/64/63/1069926463.db2.gz CESMEOXIUSWJEJ-BQBKMSKFSA-N 1 2 453.892 3.984 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424111 1069926477 /nfs/dbraw/zinc/92/64/77/1069926477.db2.gz CESMEOXIUSWJEJ-BQBKMSKFSA-N 1 2 453.892 3.984 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001312425736 1069928356 /nfs/dbraw/zinc/92/83/56/1069928356.db2.gz LBKJJIXVRZFPHU-UXHICEINSA-N 1 2 451.995 3.525 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001312425736 1069928364 /nfs/dbraw/zinc/92/83/64/1069928364.db2.gz LBKJJIXVRZFPHU-UXHICEINSA-N 1 2 451.995 3.525 20 0 JHADLO O=c1c2sccc2nc(SCc2cnc(Cl)c(F)c2)n1CCC[NH+]1CCOCC1 ZINC001307292078 1069929448 /nfs/dbraw/zinc/92/94/48/1069929448.db2.gz GAPUXCWQSARQGI-UHFFFAOYSA-N 1 2 454.980 3.660 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314238664 1069938337 /nfs/dbraw/zinc/93/83/37/1069938337.db2.gz ANBHVFBPXOQKFW-BBIPKEKYSA-N 1 2 477.694 3.703 20 0 JHADLO CCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312476964 1069959533 /nfs/dbraw/zinc/95/95/33/1069959533.db2.gz SPOHEVUUKHBPDC-VXNXHJTFSA-N 1 2 458.002 3.951 20 0 JHADLO O=C(COc1c(Cl)cccc1Br)NCc1ccccc1C[NH+]1CCOCC1 ZINC001307389316 1069967001 /nfs/dbraw/zinc/96/70/01/1069967001.db2.gz QIMKNWAGUATQOV-UHFFFAOYSA-N 1 2 453.764 3.630 20 0 JHADLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC001307423645 1069976828 /nfs/dbraw/zinc/97/68/28/1069976828.db2.gz LHJFGMOVONECND-VQIMIIECSA-N 1 2 456.368 3.644 20 0 JHADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1 ZINC001307424758 1069977661 /nfs/dbraw/zinc/97/76/61/1069977661.db2.gz VCAUMIWMNAKLLT-IBGZPJMESA-N 1 2 459.550 3.864 20 0 JHADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1 ZINC001307424758 1069977664 /nfs/dbraw/zinc/97/76/64/1069977664.db2.gz VCAUMIWMNAKLLT-IBGZPJMESA-N 1 2 459.550 3.864 20 0 JHADLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001307426182 1069978741 /nfs/dbraw/zinc/97/87/41/1069978741.db2.gz ZTLYVMSMDDMLSE-KBUPBQIOSA-N 1 2 454.411 3.736 20 0 JHADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438817 1069983782 /nfs/dbraw/zinc/98/37/82/1069983782.db2.gz OLRRQUXCZJQBNR-XLIONFOSSA-N 1 2 450.626 3.605 20 0 JHADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001307438817 1069983789 /nfs/dbraw/zinc/98/37/89/1069983789.db2.gz OLRRQUXCZJQBNR-XLIONFOSSA-N 1 2 450.626 3.605 20 0 JHADLO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1(C)C ZINC001314260455 1070001018 /nfs/dbraw/zinc/00/10/18/1070001018.db2.gz YOWZQPXTQFUSFA-NHCUHLMSSA-N 1 2 466.634 3.608 20 0 JHADLO CCO[C@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1(C)C ZINC001314260457 1070001410 /nfs/dbraw/zinc/00/14/10/1070001410.db2.gz YOWZQPXTQFUSFA-SFTDATJTSA-N 1 2 466.634 3.608 20 0 JHADLO CCOC1CC(O)(Cn2c(CC(C)(C)C)nnc2N(CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001314261248 1070002947 /nfs/dbraw/zinc/00/29/47/1070002947.db2.gz OWZWDBDWNAKTKL-UHFFFAOYSA-N 1 2 484.689 3.935 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCN(Cc3ccc(Cl)nc3)CC2)[C@@H](O)c2ccccc21 ZINC001307474963 1070006465 /nfs/dbraw/zinc/00/64/65/1070006465.db2.gz KDGAPZVXEFAWFC-IRLDBZIGSA-N 1 2 458.990 3.710 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC001307498056 1070018519 /nfs/dbraw/zinc/01/85/19/1070018519.db2.gz BSCXHQUVWNRWIV-HXUWFJFHSA-N 1 2 457.018 3.699 20 0 JHADLO COc1nc(N2CC[NH+](Cc3cc(Br)ccc3C)CC2)ncc1Br ZINC001307509600 1070025458 /nfs/dbraw/zinc/02/54/58/1070025458.db2.gz KLFCXZURPJBICG-UHFFFAOYSA-N 1 2 456.182 3.641 20 0 JHADLO CCO[C@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314277333 1070036978 /nfs/dbraw/zinc/03/69/78/1070036978.db2.gz NPHOEDXQCTZGEV-QFIPXVFZSA-N 1 2 451.571 3.529 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538544 1070041334 /nfs/dbraw/zinc/04/13/34/1070041334.db2.gz AUPBKLFLIXQKQP-MOPGFXCFSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538544 1070041348 /nfs/dbraw/zinc/04/13/48/1070041348.db2.gz AUPBKLFLIXQKQP-MOPGFXCFSA-N 1 2 458.024 3.741 20 0 JHADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001307537375 1070041574 /nfs/dbraw/zinc/04/15/74/1070041574.db2.gz SBHVIBNBUCPBNH-UHFFFAOYSA-N 1 2 451.409 3.792 20 0 JHADLO COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[NH+](Cc4cccc(O)c4)CC3)n2)cc1 ZINC001307547458 1070047814 /nfs/dbraw/zinc/04/78/14/1070047814.db2.gz XMUJEYXJTWXSJZ-QGZVFWFLSA-N 1 2 452.580 3.669 20 0 JHADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC001307566013 1070054971 /nfs/dbraw/zinc/05/49/71/1070054971.db2.gz WECBQAOTNNIAPF-UHFFFAOYSA-N 1 2 459.996 3.642 20 0 JHADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@H](CO)c2ccccc2OC)cc1 ZINC001307604949 1070078507 /nfs/dbraw/zinc/07/85/07/1070078507.db2.gz CJWBXTNVFGHTJF-JWQCQUIFSA-N 1 2 459.546 3.705 20 0 JHADLO CCOCc1nnc(N(C)Cc2cc(Br)cs2)n1Cc1c[nH+]ccc1OC ZINC001314301924 1070086614 /nfs/dbraw/zinc/08/66/14/1070086614.db2.gz MFFUIUBLIKBEOH-UHFFFAOYSA-N 1 2 452.378 3.727 20 0 JHADLO CC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1nc(C(F)(F)F)cs1 ZINC001307669748 1070113674 /nfs/dbraw/zinc/11/36/74/1070113674.db2.gz NKTUWQWTWCTCLU-GFCCVEGCSA-N 1 2 458.462 3.712 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677321 1070119627 /nfs/dbraw/zinc/11/96/27/1070119627.db2.gz NVVQCRJSANPPNI-XJKSGUPXSA-N 1 2 457.497 3.570 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677321 1070119636 /nfs/dbraw/zinc/11/96/36/1070119636.db2.gz NVVQCRJSANPPNI-XJKSGUPXSA-N 1 2 457.497 3.570 20 0 JHADLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC001307688408 1070126532 /nfs/dbraw/zinc/12/65/32/1070126532.db2.gz GEWBHHFMVALKAB-UHFFFAOYSA-N 1 2 455.481 3.899 20 0 JHADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001307696961 1070133611 /nfs/dbraw/zinc/13/36/11/1070133611.db2.gz QSNCHJHSNNDMHP-INIZCTEOSA-N 1 2 450.383 3.831 20 0 JHADLO O=C(NCC1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1)OCc1ccccc1 ZINC001307730325 1070153976 /nfs/dbraw/zinc/15/39/76/1070153976.db2.gz OGIFCSPSUGMQLF-UHFFFAOYSA-N 1 2 452.523 3.821 20 0 JHADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)n2CC ZINC001307740056 1070160141 /nfs/dbraw/zinc/16/01/41/1070160141.db2.gz CAUYBDIQXNLSMF-QGZVFWFLSA-N 1 2 451.445 3.955 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001314354504 1070175376 /nfs/dbraw/zinc/17/53/76/1070175376.db2.gz GLOMUHXQPPVIHJ-UHFFFAOYSA-N 1 2 456.541 3.998 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001314353986 1070174783 /nfs/dbraw/zinc/17/47/83/1070174783.db2.gz BUFFQSDNIGHLNB-UHFFFAOYSA-N 1 2 495.594 3.503 20 0 JHADLO CN(C)C(=O)OC1CC[NH+](Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC001307801986 1070188822 /nfs/dbraw/zinc/18/88/22/1070188822.db2.gz LHZCMGALZUMPKB-UHFFFAOYSA-N 1 2 455.296 3.609 20 0 JHADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC001307815472 1070196138 /nfs/dbraw/zinc/19/61/38/1070196138.db2.gz CXLURRDQJFITDZ-XMMPIXPASA-N 1 2 453.591 3.729 20 0 JHADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC001307815472 1070196143 /nfs/dbraw/zinc/19/61/43/1070196143.db2.gz CXLURRDQJFITDZ-XMMPIXPASA-N 1 2 453.591 3.729 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314367793 1070202052 /nfs/dbraw/zinc/20/20/52/1070202052.db2.gz YBWSCOKOOOBPRY-GOTSBHOMSA-N 1 2 471.646 3.672 20 0 JHADLO CCOCc1nnc(N2CCCC[C@H](COC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314374418 1070213332 /nfs/dbraw/zinc/21/33/32/1070213332.db2.gz HYWVSVSHAKELQO-QFIPXVFZSA-N 1 2 456.635 3.891 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CC1 ZINC001307879346 1070221267 /nfs/dbraw/zinc/22/12/67/1070221267.db2.gz KNYULOLYLYEONA-VWLOTQADSA-N 1 2 455.603 3.803 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)NC(=O)N[C@H]1c1ccco1 ZINC001307927926 1070246245 /nfs/dbraw/zinc/24/62/45/1070246245.db2.gz VVBWBRWFNGGUHN-GCJKJVERSA-N 1 2 453.539 3.520 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)NC(=O)N[C@H]1c1ccco1 ZINC001307927926 1070246259 /nfs/dbraw/zinc/24/62/59/1070246259.db2.gz VVBWBRWFNGGUHN-GCJKJVERSA-N 1 2 453.539 3.520 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088821 1070246546 /nfs/dbraw/zinc/24/65/46/1070246546.db2.gz KPAGZOVWZVFTSN-FTJBHMTQSA-N 1 2 457.622 3.523 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001313088821 1070246553 /nfs/dbraw/zinc/24/65/53/1070246553.db2.gz KPAGZOVWZVFTSN-FTJBHMTQSA-N 1 2 457.622 3.523 20 0 JHADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC001307978692 1070267064 /nfs/dbraw/zinc/26/70/64/1070267064.db2.gz RUHNVRSPDSXREG-UHFFFAOYSA-N 1 2 454.575 3.629 20 0 JHADLO CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163111 1070274167 /nfs/dbraw/zinc/27/41/67/1070274167.db2.gz ILZXCJHJWADIKR-NVQXNPDNSA-N 1 2 459.631 3.739 20 0 JHADLO CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163111 1070274180 /nfs/dbraw/zinc/27/41/80/1070274180.db2.gz ILZXCJHJWADIKR-NVQXNPDNSA-N 1 2 459.631 3.739 20 0 JHADLO CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163110 1070274494 /nfs/dbraw/zinc/27/44/94/1070274494.db2.gz ILZXCJHJWADIKR-GJZUVCINSA-N 1 2 459.631 3.739 20 0 JHADLO CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001313163110 1070274511 /nfs/dbraw/zinc/27/45/11/1070274511.db2.gz ILZXCJHJWADIKR-GJZUVCINSA-N 1 2 459.631 3.739 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168153 1070278016 /nfs/dbraw/zinc/27/80/16/1070278016.db2.gz NLLZBUMWLCAMEN-ISJGIBHGSA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168153 1070278029 /nfs/dbraw/zinc/27/80/29/1070278029.db2.gz NLLZBUMWLCAMEN-ISJGIBHGSA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166532 1070276958 /nfs/dbraw/zinc/27/69/58/1070276958.db2.gz BYDYKOGXZFQVEV-RPBOFIJWSA-N 1 2 451.611 3.789 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCCC3)C2)cc1 ZINC001313166532 1070276969 /nfs/dbraw/zinc/27/69/69/1070276969.db2.gz BYDYKOGXZFQVEV-RPBOFIJWSA-N 1 2 451.611 3.789 20 0 JHADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001308009633 1070278284 /nfs/dbraw/zinc/27/82/84/1070278284.db2.gz BRKXJOILIPVBFN-GUYCJALGSA-N 1 2 451.420 3.671 20 0 JHADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001308009633 1070278295 /nfs/dbraw/zinc/27/82/95/1070278295.db2.gz BRKXJOILIPVBFN-GUYCJALGSA-N 1 2 451.420 3.671 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)cc1 ZINC001313169308 1070278801 /nfs/dbraw/zinc/27/88/01/1070278801.db2.gz UVXCBTIKCBBFBW-NRFANRHFSA-N 1 2 458.400 3.947 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC3(c4ccc(Br)cc4)CC3)C2)cc1 ZINC001313169308 1070278813 /nfs/dbraw/zinc/27/88/13/1070278813.db2.gz UVXCBTIKCBBFBW-NRFANRHFSA-N 1 2 458.400 3.947 20 0 JHADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001308064801 1070298852 /nfs/dbraw/zinc/29/88/52/1070298852.db2.gz UEWMHFXWEOYKJU-HNNXBMFYSA-N 1 2 452.214 3.693 20 0 JHADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001308064801 1070298860 /nfs/dbraw/zinc/29/88/60/1070298860.db2.gz UEWMHFXWEOYKJU-HNNXBMFYSA-N 1 2 452.214 3.693 20 0 JHADLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CCO2 ZINC001308106262 1070312872 /nfs/dbraw/zinc/31/28/72/1070312872.db2.gz AIAHAIAAVIGZTI-UHFFFAOYSA-N 1 2 454.571 3.888 20 0 JHADLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CCO2 ZINC001308106262 1070312890 /nfs/dbraw/zinc/31/28/90/1070312890.db2.gz AIAHAIAAVIGZTI-UHFFFAOYSA-N 1 2 454.571 3.888 20 0 JHADLO CN1C(=O)C[C@H]([NH2+]Cc2nc(-c3cc(Br)cs3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC001308084252 1070307794 /nfs/dbraw/zinc/30/77/94/1070307794.db2.gz FFTHENZNSWYFQB-SUMWQHHRSA-N 1 2 469.311 3.900 20 0 JHADLO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC[NH+](CCCOC(F)(F)F)CC1 ZINC001308125008 1070322614 /nfs/dbraw/zinc/32/26/14/1070322614.db2.gz MUYMSSQVACCPHV-UHFFFAOYSA-N 1 2 455.518 3.703 20 0 JHADLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2I)c(Cl)c1 ZINC001308143773 1070328171 /nfs/dbraw/zinc/32/81/71/1070328171.db2.gz QGCVRULNRVQCHP-PXAZEXFGSA-N 1 2 458.727 3.903 20 0 JHADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cccc(O)c3Br)cc2)C1 ZINC001308207376 1070340094 /nfs/dbraw/zinc/34/00/94/1070340094.db2.gz MEPMDPDROZXTDV-HNNXBMFYSA-N 1 2 453.402 3.865 20 0 JHADLO C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313433178 1070358624 /nfs/dbraw/zinc/35/86/24/1070358624.db2.gz KREAXVKBOMKURQ-CQSZACIVSA-N 1 2 452.458 3.726 20 0 JHADLO COc1nsc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1Br ZINC001308373936 1070363793 /nfs/dbraw/zinc/36/37/93/1070363793.db2.gz DRLVPEWHHYKTNY-JTQLQIEISA-N 1 2 450.280 3.828 20 0 JHADLO CCOCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001314460332 1070366420 /nfs/dbraw/zinc/36/64/20/1070366420.db2.gz UPJYOBNEGQFAHQ-UHFFFAOYSA-N 1 2 458.994 3.568 20 0 JHADLO CCOc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001308392495 1070367023 /nfs/dbraw/zinc/36/70/23/1070367023.db2.gz PRXVRJJNUGPUID-FHWLQOOXSA-N 1 2 456.587 3.562 20 0 JHADLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001308395316 1070368519 /nfs/dbraw/zinc/36/85/19/1070368519.db2.gz NQYACNCXMXKLNB-UHFFFAOYSA-N 1 2 458.893 3.941 20 0 JHADLO CC[N@@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1COc2ccccc2O1 ZINC001308571774 1070392567 /nfs/dbraw/zinc/39/25/67/1070392567.db2.gz UGWBFKCYGOLKEN-AZUAARDMSA-N 1 2 457.575 3.512 20 0 JHADLO CC[N@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1COc2ccccc2O1 ZINC001308571774 1070392581 /nfs/dbraw/zinc/39/25/81/1070392581.db2.gz UGWBFKCYGOLKEN-AZUAARDMSA-N 1 2 457.575 3.512 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1)c1ccccc1 ZINC001308600785 1070398267 /nfs/dbraw/zinc/39/82/67/1070398267.db2.gz WXUDUQAIUOWUAA-QGZVFWFLSA-N 1 2 454.372 3.672 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1)c1ccccc1 ZINC001308600785 1070398277 /nfs/dbraw/zinc/39/82/77/1070398277.db2.gz WXUDUQAIUOWUAA-QGZVFWFLSA-N 1 2 454.372 3.672 20 0 JHADLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)nc1 ZINC001308651107 1070409854 /nfs/dbraw/zinc/40/98/54/1070409854.db2.gz RURKWDSOZMNADA-UHFFFAOYSA-N 1 2 459.472 3.785 20 0 JHADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@H]1C ZINC001308696220 1070420144 /nfs/dbraw/zinc/42/01/44/1070420144.db2.gz NPHUWLDABXPOIY-WFASDCNBSA-N 1 2 455.784 3.738 20 0 JHADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)[C@H]1C ZINC001308696220 1070420148 /nfs/dbraw/zinc/42/01/48/1070420148.db2.gz NPHUWLDABXPOIY-WFASDCNBSA-N 1 2 455.784 3.738 20 0 JHADLO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC001308732166 1070427536 /nfs/dbraw/zinc/42/75/36/1070427536.db2.gz QPAHXRBGCHMHSQ-KZNAEPCWSA-N 1 2 451.571 3.873 20 0 JHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cs1)c1ccccc1 ZINC001308765953 1070433545 /nfs/dbraw/zinc/43/35/45/1070433545.db2.gz MKCDNKQTKDNCRJ-HOTGVXAUSA-N 1 2 452.502 3.670 20 0 JHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cs1)c1ccccc1 ZINC001308765953 1070433551 /nfs/dbraw/zinc/43/35/51/1070433551.db2.gz MKCDNKQTKDNCRJ-HOTGVXAUSA-N 1 2 452.502 3.670 20 0 JHADLO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)cc1 ZINC001308926636 1070460563 /nfs/dbraw/zinc/46/05/63/1070460563.db2.gz VOOCZNIUMSTLGH-QGZVFWFLSA-N 1 2 458.584 3.728 20 0 JHADLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)CC1 ZINC001308978198 1070469512 /nfs/dbraw/zinc/46/95/12/1070469512.db2.gz QKKYAFNSTSNUFN-UHFFFAOYSA-N 1 2 457.518 3.809 20 0 JHADLO CC(C)(C)OC(=O)N(CCO)[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001308987546 1070471609 /nfs/dbraw/zinc/47/16/09/1070471609.db2.gz QCPJFHQCDGOIDR-HNNXBMFYSA-N 1 2 454.365 3.784 20 0 JHADLO CC(C)(C)OC(=O)N(CCO)[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001308987546 1070471613 /nfs/dbraw/zinc/47/16/13/1070471613.db2.gz QCPJFHQCDGOIDR-HNNXBMFYSA-N 1 2 454.365 3.784 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCSCC1 ZINC001314513442 1070478736 /nfs/dbraw/zinc/47/87/36/1070478736.db2.gz RAYAWCAPLHTJOO-IBGZPJMESA-N 1 2 493.743 3.551 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCSCC1 ZINC001314513444 1070478771 /nfs/dbraw/zinc/47/87/71/1070478771.db2.gz RAYAWCAPLHTJOO-LJQANCHMSA-N 1 2 493.743 3.551 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314515540 1070486664 /nfs/dbraw/zinc/48/66/64/1070486664.db2.gz HKCSTXWHMUFFIE-LPHOPBHVSA-N 1 2 480.034 3.754 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314515542 1070486709 /nfs/dbraw/zinc/48/67/09/1070486709.db2.gz HKCSTXWHMUFFIE-QFBILLFUSA-N 1 2 480.034 3.754 20 0 JHADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309029034 1070495212 /nfs/dbraw/zinc/49/52/12/1070495212.db2.gz WKVHPWKIKIRTGE-SFHVURJKSA-N 1 2 454.951 3.690 20 0 JHADLO Cc1ccc(Br)c(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC001309078095 1070526131 /nfs/dbraw/zinc/52/61/31/1070526131.db2.gz GVTHRRBXAHNHCJ-UHFFFAOYSA-N 1 2 459.356 3.979 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2C[C@H](C)OC)cc1OC ZINC001313505336 1070543264 /nfs/dbraw/zinc/54/32/64/1070543264.db2.gz NITBPCJNSWEACW-SFHVURJKSA-N 1 2 480.613 3.801 20 0 JHADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001309128311 1070553934 /nfs/dbraw/zinc/55/39/34/1070553934.db2.gz BWYIKSUOWFTKDR-CABCVRRESA-N 1 2 459.033 3.540 20 0 JHADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001309128311 1070553945 /nfs/dbraw/zinc/55/39/45/1070553945.db2.gz BWYIKSUOWFTKDR-CABCVRRESA-N 1 2 459.033 3.540 20 0 JHADLO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001309155845 1070573577 /nfs/dbraw/zinc/57/35/77/1070573577.db2.gz CONVXXSNMCWTAV-QGZVFWFLSA-N 1 2 454.976 3.615 20 0 JHADLO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001309155845 1070573589 /nfs/dbraw/zinc/57/35/89/1070573589.db2.gz CONVXXSNMCWTAV-QGZVFWFLSA-N 1 2 454.976 3.615 20 0 JHADLO O=S(=O)(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001309157899 1070575257 /nfs/dbraw/zinc/57/52/57/1070575257.db2.gz UHVLHSYMROXXBZ-MRXNPFEDSA-N 1 2 458.914 3.995 20 0 JHADLO O=S(=O)(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001309157899 1070575265 /nfs/dbraw/zinc/57/52/65/1070575265.db2.gz UHVLHSYMROXXBZ-MRXNPFEDSA-N 1 2 458.914 3.995 20 0 JHADLO CC[S@@](=O)CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001314580562 1070592412 /nfs/dbraw/zinc/59/24/12/1070592412.db2.gz UXNHUZMVZAUGBR-AYLZSAKASA-N 1 2 459.660 3.596 20 0 JHADLO CCSc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001314587854 1070612207 /nfs/dbraw/zinc/61/22/07/1070612207.db2.gz BMUMAIJNEJXIKR-UHFFFAOYSA-N 1 2 479.654 3.600 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3ccc(SC)c(Cl)c3)C2)cc(OC)c1 ZINC001309290322 1070673003 /nfs/dbraw/zinc/67/30/03/1070673003.db2.gz MZEMEFAFTCKHJY-OAHLLOKOSA-N 1 2 457.017 3.632 20 0 JHADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3ccc(SC)c(Cl)c3)C2)cc(OC)c1 ZINC001309290322 1070673008 /nfs/dbraw/zinc/67/30/08/1070673008.db2.gz MZEMEFAFTCKHJY-OAHLLOKOSA-N 1 2 457.017 3.632 20 0 JHADLO CCSCCCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001314614080 1070682351 /nfs/dbraw/zinc/68/23/51/1070682351.db2.gz JJFDMGVTCPJLMG-HXUWFJFHSA-N 1 2 470.687 3.658 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309314576 1070692548 /nfs/dbraw/zinc/69/25/48/1070692548.db2.gz QACZXYSHIKGHSQ-JKSUJKDBSA-N 1 2 458.502 3.877 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001309314576 1070692554 /nfs/dbraw/zinc/69/25/54/1070692554.db2.gz QACZXYSHIKGHSQ-JKSUJKDBSA-N 1 2 458.502 3.877 20 0 JHADLO Cc1nc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1Br ZINC001309333666 1070705489 /nfs/dbraw/zinc/70/54/89/1070705489.db2.gz BZTSACUAMKLILL-HNNXBMFYSA-N 1 2 455.403 3.747 20 0 JHADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)Cc2ncsc2Br)c(C)c1 ZINC001309334265 1070706050 /nfs/dbraw/zinc/70/60/50/1070706050.db2.gz HUPZDEIDYYNHNL-HNNXBMFYSA-N 1 2 455.403 3.580 20 0 JHADLO CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC001313605973 1070729214 /nfs/dbraw/zinc/72/92/14/1070729214.db2.gz HRCGUROAPJOGHN-UHFFFAOYSA-N 1 2 456.541 3.662 20 0 JHADLO CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC001313617183 1070740980 /nfs/dbraw/zinc/74/09/80/1070740980.db2.gz KBNJOXVWSKHAEZ-UHFFFAOYSA-N 1 2 463.611 3.797 20 0 JHADLO CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1)C1CCCCC1 ZINC001313618847 1070743672 /nfs/dbraw/zinc/74/36/72/1070743672.db2.gz HQXWUUVKCNRXGL-DHIUTWEWSA-N 1 2 474.694 3.520 20 0 JHADLO C[NH+](C)[C@H](Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314651608 1070761355 /nfs/dbraw/zinc/76/13/55/1070761355.db2.gz DFANNKZEWVTQFO-YLJYHZDGSA-N 1 2 474.600 3.748 20 0 JHADLO CN(C)c1ccc(Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(F)cc2Br)c[nH+]1 ZINC001314659239 1070781048 /nfs/dbraw/zinc/78/10/48/1070781048.db2.gz SWCFYFUCCJPFNG-UHFFFAOYSA-N 1 2 471.338 3.833 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CCOc2ccccc2Cl)c[nH+]1 ZINC001314659506 1070781799 /nfs/dbraw/zinc/78/17/99/1070781799.db2.gz XODOOBGOBQFZAN-UHFFFAOYSA-N 1 2 478.000 3.942 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)c[nH+]1 ZINC001314659671 1070782153 /nfs/dbraw/zinc/78/21/53/1070782153.db2.gz AIAIKYOXYFVRBE-IBGZPJMESA-N 1 2 469.634 3.891 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC001314662155 1070788299 /nfs/dbraw/zinc/78/82/99/1070788299.db2.gz ZWXNGQQVZSDSJL-GCJKJVERSA-N 1 2 482.551 3.559 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c[nH+]1 ZINC001314661143 1070785741 /nfs/dbraw/zinc/78/57/41/1070785741.db2.gz KPYNLVFKZFRIPJ-QZTJIDSGSA-N 1 2 468.524 3.577 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1)C2 ZINC001314663567 1070792299 /nfs/dbraw/zinc/79/22/99/1070792299.db2.gz GYPYQSQBKLHQMN-VWLOTQADSA-N 1 2 452.578 3.646 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CCc3ccccc3)n1CCNC(=O)OC(C)(C)C)C2 ZINC001314663903 1070793109 /nfs/dbraw/zinc/79/31/09/1070793109.db2.gz HZKPJKBCTVWZRG-UHFFFAOYSA-N 1 2 491.640 3.612 20 0 JHADLO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001314709398 1070884866 /nfs/dbraw/zinc/88/48/66/1070884866.db2.gz BBHPFUJOWGCGMH-SFHVURJKSA-N 1 2 484.004 3.798 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001309642487 1070896676 /nfs/dbraw/zinc/89/66/76/1070896676.db2.gz WTPUCKIMHPIRTG-BRWVUGGUSA-N 1 2 450.988 3.783 20 0 JHADLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001309642487 1070896697 /nfs/dbraw/zinc/89/66/97/1070896697.db2.gz WTPUCKIMHPIRTG-BRWVUGGUSA-N 1 2 450.988 3.783 20 0 JHADLO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314725048 1070927782 /nfs/dbraw/zinc/92/77/82/1070927782.db2.gz WOJPEPWVKIHXLU-IBGZPJMESA-N 1 2 467.536 3.684 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C)s2)c[nH+]1 ZINC001313676965 1070923713 /nfs/dbraw/zinc/92/37/13/1070923713.db2.gz GUOOPBGOMGALKH-UHFFFAOYSA-N 1 2 450.616 3.974 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678871 1070932377 /nfs/dbraw/zinc/93/23/77/1070932377.db2.gz MCTOECNNVWRQSH-LJQANCHMSA-N 1 2 452.607 3.941 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)c[nH+]1 ZINC001313679350 1070934814 /nfs/dbraw/zinc/93/48/14/1070934814.db2.gz IXVYJZOVYLRDPM-OAQYLSRUSA-N 1 2 453.635 3.530 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@H](COC)C2)c[nH+]1 ZINC001313679612 1070936205 /nfs/dbraw/zinc/93/62/05/1070936205.db2.gz OPSPETFKCOZYKF-QHCPKHFHSA-N 1 2 463.630 3.806 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001313679798 1070936776 /nfs/dbraw/zinc/93/67/76/1070936776.db2.gz UUMCSMAZGWITJD-IBGZPJMESA-N 1 2 498.031 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@]3(CCO[C@@H]3C)C2)c[nH+]1 ZINC001313679986 1070937046 /nfs/dbraw/zinc/93/70/46/1070937046.db2.gz QHYFDQXOIIYUGM-CLOONOSVSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)c[nH+]1 ZINC001313681834 1070942160 /nfs/dbraw/zinc/94/21/60/1070942160.db2.gz YCXPBBTXJVBWHO-QFIPXVFZSA-N 1 2 491.640 3.763 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313683292 1070943367 /nfs/dbraw/zinc/94/33/67/1070943367.db2.gz BIWNSVOWDGUFBK-MBSDFSHPSA-N 1 2 463.623 3.611 20 0 JHADLO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001309758115 1070956693 /nfs/dbraw/zinc/95/66/93/1070956693.db2.gz YDYRLPXNIRDRNU-UHFFFAOYSA-N 1 2 459.768 3.748 20 0 JHADLO CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001313697861 1070968207 /nfs/dbraw/zinc/96/82/07/1070968207.db2.gz UIFPPKKNOFWNDP-CTNGQTDRSA-N 1 2 499.660 3.865 20 0 JHADLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)[nH+]c1C ZINC001309853680 1070996627 /nfs/dbraw/zinc/99/66/27/1070996627.db2.gz FYGAQMGLPNMRQX-GFCCVEGCSA-N 1 2 458.769 3.616 20 0 JHADLO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)NC(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001313726755 1071035727 /nfs/dbraw/zinc/03/57/27/1071035727.db2.gz PYDZCMGYXWJVGS-UHFFFAOYSA-N 1 2 467.524 3.611 20 0 JHADLO CN(Cc1nccs1)c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314778250 1071051909 /nfs/dbraw/zinc/05/19/09/1071051909.db2.gz JSHQXJOMULMBOW-LJQANCHMSA-N 1 2 469.565 3.938 20 0 JHADLO CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001313746915 1071076317 /nfs/dbraw/zinc/07/63/17/1071076317.db2.gz SFEOUOCNYBDZEY-UHFFFAOYSA-N 1 2 452.578 3.922 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c[nH+]ccc1OC ZINC001313751284 1071085953 /nfs/dbraw/zinc/08/59/53/1071085953.db2.gz IVBZGHAGNGOBJL-UHFFFAOYSA-N 1 2 467.961 3.819 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001313754553 1071093272 /nfs/dbraw/zinc/09/32/72/1071093272.db2.gz ANNPYUIWTUNGCC-UHFFFAOYSA-N 1 2 450.566 4.000 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313756092 1071098013 /nfs/dbraw/zinc/09/80/13/1071098013.db2.gz LHONIHXRCLAXKT-SFHVURJKSA-N 1 2 490.077 3.705 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)CC2)c1 ZINC001310115065 1071127035 /nfs/dbraw/zinc/12/70/35/1071127035.db2.gz CHJKBNDEJLOQTR-UHFFFAOYSA-N 1 2 452.555 3.581 20 0 JHADLO Cc1nn(C)c2ncc(NC(=O)N(CCn3cc[nH+]c3)Cc3ccc(Br)o3)cc12 ZINC001310123337 1071134928 /nfs/dbraw/zinc/13/49/28/1071134928.db2.gz KCPFDHDZOFQWLJ-UHFFFAOYSA-N 1 2 458.320 3.563 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001313777758 1071136474 /nfs/dbraw/zinc/13/64/74/1071136474.db2.gz ARXNUUJEVZNJLL-NRFANRHFSA-N 1 2 481.689 3.919 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC1CCCC1 ZINC001313780134 1071144137 /nfs/dbraw/zinc/14/41/37/1071144137.db2.gz XBZNPCXQXYNBEL-UHFFFAOYSA-N 1 2 453.635 3.744 20 0 JHADLO C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001310140807 1071149474 /nfs/dbraw/zinc/14/94/74/1071149474.db2.gz WLQAHNFIXQAKTE-IPMKNSEASA-N 1 2 459.612 3.625 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001310150290 1071156567 /nfs/dbraw/zinc/15/65/67/1071156567.db2.gz FKCRLXXILHLHID-UHFFFAOYSA-N 1 2 453.612 3.973 20 0 JHADLO CN(CCC1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314841020 1071189012 /nfs/dbraw/zinc/18/90/12/1071189012.db2.gz HTVRXILGDBNAEJ-OAQYLSRUSA-N 1 2 473.572 3.513 20 0 JHADLO CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)C1)CCC(F)(F)F ZINC001313801993 1071206612 /nfs/dbraw/zinc/20/66/12/1071206612.db2.gz BBIDWFQHOYJGNW-KRWDZBQOSA-N 1 2 487.592 3.859 20 0 JHADLO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)C1)CCC(F)(F)F ZINC001313801993 1071206617 /nfs/dbraw/zinc/20/66/17/1071206617.db2.gz BBIDWFQHOYJGNW-KRWDZBQOSA-N 1 2 487.592 3.859 20 0 JHADLO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1)CCC(F)(F)F ZINC001313817749 1071266617 /nfs/dbraw/zinc/26/66/17/1071266617.db2.gz MFZWUCFIJTVDSD-UHFFFAOYSA-N 1 2 481.629 3.545 20 0 JHADLO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1)CCC(F)(F)F ZINC001313817749 1071266630 /nfs/dbraw/zinc/26/66/30/1071266630.db2.gz MFZWUCFIJTVDSD-UHFFFAOYSA-N 1 2 481.629 3.545 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccsc1 ZINC001314870625 1071281688 /nfs/dbraw/zinc/28/16/88/1071281688.db2.gz SUBYMXDQMIVIIB-UHFFFAOYSA-N 1 2 480.407 3.725 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CCCS1 ZINC001314870932 1071282768 /nfs/dbraw/zinc/28/27/68/1071282768.db2.gz XUQQWZJCRBXAKQ-OAQYLSRUSA-N 1 2 480.476 3.762 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCC1(F)F ZINC001314871310 1071283305 /nfs/dbraw/zinc/28/33/05/1071283305.db2.gz JWLNHHBSSDWFHL-XUVXKRRUSA-N 1 2 469.621 3.791 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC(F)(F)C1 ZINC001314871944 1071285267 /nfs/dbraw/zinc/28/52/67/1071285267.db2.gz SPHYJTTUMNGHJB-MOPGFXCFSA-N 1 2 498.619 3.554 20 0 JHADLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC001310304722 1071287366 /nfs/dbraw/zinc/28/73/66/1071287366.db2.gz VLLIMBHTYLRAHX-UHFFFAOYSA-N 1 2 458.628 3.866 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314873203 1071289878 /nfs/dbraw/zinc/28/98/78/1071289878.db2.gz BYAHNFMLGOJMBL-UHFFFAOYSA-N 1 2 494.949 3.753 20 0 JHADLO Cc1nc(N2CCOCC2)ccc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001310418352 1071378474 /nfs/dbraw/zinc/37/84/74/1071378474.db2.gz JJKPVBICXLFTRF-UHFFFAOYSA-N 1 2 454.962 3.811 20 0 JHADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC001310419802 1071378947 /nfs/dbraw/zinc/37/89/47/1071378947.db2.gz YRIPANCISXYKRJ-UHFFFAOYSA-N 1 2 454.358 3.908 20 0 JHADLO O=C(Nc1cccc2c1OCCC2=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001310465542 1071407404 /nfs/dbraw/zinc/40/74/04/1071407404.db2.gz NFJJNESZCBOLJT-UHFFFAOYSA-N 1 2 459.300 3.938 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313926656 1071576933 /nfs/dbraw/zinc/57/69/33/1071576933.db2.gz DYGMMHIQORTVBS-DHIUTWEWSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927291 1071579373 /nfs/dbraw/zinc/57/93/73/1071579373.db2.gz KIHLNEPIBZDIMM-FQEVSTJZSA-N 1 2 458.626 3.649 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313928248 1071583021 /nfs/dbraw/zinc/58/30/21/1071583021.db2.gz SYYLXJGZEDUILL-LXFBAYGMSA-N 1 2 498.716 3.833 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928250 1071583106 /nfs/dbraw/zinc/58/31/06/1071583106.db2.gz SYYLXJGZEDUILL-QDPGVEIFSA-N 1 2 498.716 3.833 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928585 1071584328 /nfs/dbraw/zinc/58/43/28/1071584328.db2.gz UKNKUGPZSVDDAF-NRFANRHFSA-N 1 2 466.630 3.729 20 0 JHADLO CCNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001313984309 1071721822 /nfs/dbraw/zinc/72/18/22/1071721822.db2.gz VQKQALNFXOEKHX-UHFFFAOYSA-N 1 2 490.656 3.748 20 0 JHADLO CCO[C@H](C)c1noc(CN(C)c2nnc(CC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC001314060611 1071895496 /nfs/dbraw/zinc/89/54/96/1071895496.db2.gz BYZRWCQDWYEJNY-QZTJIDSGSA-N 1 2 456.595 3.676 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074460 1071929809 /nfs/dbraw/zinc/92/98/09/1071929809.db2.gz KQCXJCMTBUJNRE-XDHUDOTRSA-N 1 2 455.534 3.719 20 0 JHADLO CCO[C@@]1(c2nnc(N(CC)Cc3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001314099664 1071982594 /nfs/dbraw/zinc/98/25/94/1071982594.db2.gz LTVMCOBNKXJENP-QHCPKHFHSA-N 1 2 456.616 3.528 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001305924310 1068219850 /nfs/dbraw/zinc/21/98/50/1068219850.db2.gz DSXMEDACAVZLFU-FQEVSTJZSA-N 1 2 486.661 3.531 20 0 JHADLO CCCCN1C(=O)CC[C@H](C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)[C@H]1c1ccccc1OC ZINC001305932551 1068233331 /nfs/dbraw/zinc/23/33/31/1068233331.db2.gz DOQKBENYANKVAZ-WIOPSUGQSA-N 1 2 452.599 3.979 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001305936293 1068238950 /nfs/dbraw/zinc/23/89/50/1068238950.db2.gz VLDJCRQYPOEVPS-HXUWFJFHSA-N 1 2 450.553 3.675 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@H](OC)[C@H](C)CC)cc1 ZINC001305944722 1068257410 /nfs/dbraw/zinc/25/74/10/1068257410.db2.gz NKFJUMBCGWALRI-XXBNENTESA-N 1 2 463.630 3.994 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@H](OC)[C@@H](C)CC)cc1 ZINC001305944720 1068257665 /nfs/dbraw/zinc/25/76/65/1068257665.db2.gz NKFJUMBCGWALRI-CVDCTZTESA-N 1 2 463.630 3.994 20 0 JHADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)c2C1 ZINC001306027298 1068423825 /nfs/dbraw/zinc/42/38/25/1068423825.db2.gz JCGXDFQQQRKHOZ-GHTZIAJQSA-N 1 2 456.562 3.690 20 0 JHADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)c2C1 ZINC001306027298 1068423831 /nfs/dbraw/zinc/42/38/31/1068423831.db2.gz JCGXDFQQQRKHOZ-GHTZIAJQSA-N 1 2 456.562 3.690 20 0 JHADLO CCc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)cs1 ZINC001306043018 1068459989 /nfs/dbraw/zinc/45/99/89/1068459989.db2.gz YJOSWIRNIDHUTK-UHFFFAOYSA-N 1 2 468.675 3.814 20 0 JHADLO CCc1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306078189 1068509324 /nfs/dbraw/zinc/50/93/24/1068509324.db2.gz LFUSMZJJCBGQLB-INIZCTEOSA-N 1 2 458.969 3.938 20 0 JHADLO C[N@@H+]1CCc2nc(NC(=O)[C@H](Cc3ccc4cc[nH]c4c3)NC(=O)OC(C)(C)C)sc2C1 ZINC001306178796 1068568523 /nfs/dbraw/zinc/56/85/23/1068568523.db2.gz JBGCGWORFZFIHC-SFHVURJKSA-N 1 2 455.584 3.687 20 0 JHADLO C[N@H+]1CCc2nc(NC(=O)[C@H](Cc3ccc4cc[nH]c4c3)NC(=O)OC(C)(C)C)sc2C1 ZINC001306178796 1068568536 /nfs/dbraw/zinc/56/85/36/1068568536.db2.gz JBGCGWORFZFIHC-SFHVURJKSA-N 1 2 455.584 3.687 20 0 JHADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccsc1Br ZINC001306205363 1068595490 /nfs/dbraw/zinc/59/54/90/1068595490.db2.gz JEXWMKLFKYQGTO-UHFFFAOYSA-N 1 2 467.462 3.800 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1cccc[nH+]1 ZINC001306265602 1068680205 /nfs/dbraw/zinc/68/02/05/1068680205.db2.gz XRGIZSRMLSYZPJ-SIKLNZKXSA-N 1 2 497.669 3.717 20 0 JHADLO CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306383925 1068816337 /nfs/dbraw/zinc/81/63/37/1068816337.db2.gz SACVADVIOXSYAL-PKTZIBPZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001306383813 1068816497 /nfs/dbraw/zinc/81/64/97/1068816497.db2.gz URBRMPOLZRSVLT-QFIPXVFZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001306383813 1068816510 /nfs/dbraw/zinc/81/65/10/1068816510.db2.gz URBRMPOLZRSVLT-QFIPXVFZSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c[nH+]ccc2OC)C[C@@H](C)O1 ZINC001306456457 1068981673 /nfs/dbraw/zinc/98/16/73/1068981673.db2.gz FBDYHNYBHLNJEN-RLLQIKCJSA-N 1 2 486.617 3.806 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306458917 1068992198 /nfs/dbraw/zinc/99/21/98/1068992198.db2.gz TWZFYVVZDQHWGQ-FXAWDEMLSA-N 1 2 454.550 3.509 20 0 JHADLO CSc1ccc(NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)nc1 ZINC001310541358 1069006815 /nfs/dbraw/zinc/00/68/15/1069006815.db2.gz JCAAOZDFIKNDGA-UHFFFAOYSA-N 1 2 452.559 3.986 20 0 JHADLO CCNc1cc(CNC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc[nH+]1 ZINC001310575280 1069026857 /nfs/dbraw/zinc/02/68/57/1069026857.db2.gz HXSXBNQAKMDTHO-UHFFFAOYSA-N 1 2 459.506 3.510 20 0 JHADLO CC/C=C\Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001306490789 1069029204 /nfs/dbraw/zinc/02/92/04/1069029204.db2.gz TZSNUSMAYDGLTK-YVMONPNESA-N 1 2 468.627 3.919 20 0 JHADLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001310620457 1069063911 /nfs/dbraw/zinc/06/39/11/1069063911.db2.gz DDSBKLPEBPHAEE-HXUWFJFHSA-N 1 2 457.550 3.869 20 0 JHADLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001310620457 1069063913 /nfs/dbraw/zinc/06/39/13/1069063913.db2.gz DDSBKLPEBPHAEE-HXUWFJFHSA-N 1 2 457.550 3.869 20 0 JHADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310625143 1069066817 /nfs/dbraw/zinc/06/68/17/1069066817.db2.gz ZUKYQZNVLMYLJX-GOSISDBHSA-N 1 2 455.452 3.832 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3nnc(-c4cc(F)ccc4C)s3)C2)cc1 ZINC001310669478 1069098670 /nfs/dbraw/zinc/09/86/70/1069098670.db2.gz JDKYERGCJRGNDU-IBGZPJMESA-N 1 2 455.559 3.984 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3nnc(-c4cc(F)ccc4C)s3)C2)cc1 ZINC001310669478 1069098673 /nfs/dbraw/zinc/09/86/73/1069098673.db2.gz JDKYERGCJRGNDU-IBGZPJMESA-N 1 2 455.559 3.984 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306527083 1069157228 /nfs/dbraw/zinc/15/72/28/1069157228.db2.gz CZVLEUWTWCXGGW-RDGATRHJSA-N 1 2 475.081 3.754 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306531909 1069173037 /nfs/dbraw/zinc/17/30/37/1069173037.db2.gz WSHDZDNTPYNHKB-RPLLCQBOSA-N 1 2 468.690 3.663 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306532903 1069175465 /nfs/dbraw/zinc/17/54/65/1069175465.db2.gz RRJGGHTUUTZPDZ-HSZRJFAPSA-N 1 2 458.994 3.768 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306533950 1069176822 /nfs/dbraw/zinc/17/68/22/1069176822.db2.gz XJNRDBJCPZEUSW-CJFMBICVSA-N 1 2 475.081 3.754 20 0 JHADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001310830737 1069182439 /nfs/dbraw/zinc/18/24/39/1069182439.db2.gz DLZIBVJUGMCXCZ-UHFFFAOYSA-N 1 2 451.976 3.763 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306581060 1069246122 /nfs/dbraw/zinc/24/61/22/1069246122.db2.gz OAHGOMGEUIRBMX-PCCBWWKXSA-N 1 2 478.682 3.738 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3cccc4c3OC(C)(C)CC4=O)C2)cc(OC)c1 ZINC001311082264 1069267360 /nfs/dbraw/zinc/26/73/60/1069267360.db2.gz WPHHPWOENZGIIZ-KRWDZBQOSA-N 1 2 453.539 3.844 20 0 JHADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3cccc4c3OC(C)(C)CC4=O)C2)cc(OC)c1 ZINC001311082264 1069267375 /nfs/dbraw/zinc/26/73/75/1069267375.db2.gz WPHHPWOENZGIIZ-KRWDZBQOSA-N 1 2 453.539 3.844 20 0 JHADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001311098830 1069273555 /nfs/dbraw/zinc/27/35/55/1069273555.db2.gz VUQQWAWVLPSALB-CABCVRRESA-N 1 2 451.493 3.999 20 0 JHADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001311098830 1069273566 /nfs/dbraw/zinc/27/35/66/1069273566.db2.gz VUQQWAWVLPSALB-CABCVRRESA-N 1 2 451.493 3.999 20 0 JHADLO CCOC(=O)/C=C/c1ccc(NC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)cc1 ZINC001311142349 1069282836 /nfs/dbraw/zinc/28/28/36/1069282836.db2.gz GCMLITARQIHIDB-FMIVXFBMSA-N 1 2 453.539 3.500 20 0 JHADLO CC[C@@H](C)c1ccc(-n2c3nnc(SCC[NH+]4CCOCC4)n3c3ccccc3c2=O)cc1 ZINC000012606806 195051932 /nfs/dbraw/zinc/05/19/32/195051932.db2.gz QWFXCBNGIDCNAC-GOSISDBHSA-N 1 2 463.607 3.971 20 0 JHADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164658866 719353049 /nfs/dbraw/zinc/35/30/49/719353049.db2.gz KLWLTFWERVDHAY-UHFFFAOYSA-N 1 2 499.619 3.840 20 0 JHADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164658866 719353052 /nfs/dbraw/zinc/35/30/52/719353052.db2.gz KLWLTFWERVDHAY-UHFFFAOYSA-N 1 2 499.619 3.840 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164658512 719353211 /nfs/dbraw/zinc/35/32/11/719353211.db2.gz HYLOYEFPTOCMCW-UHFFFAOYSA-N 1 2 480.016 3.653 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164658512 719353214 /nfs/dbraw/zinc/35/32/14/719353214.db2.gz HYLOYEFPTOCMCW-UHFFFAOYSA-N 1 2 480.016 3.653 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)cc1 ZINC001164696926 719830200 /nfs/dbraw/zinc/83/02/00/719830200.db2.gz MEWXFCUXBIZGJH-QFIPXVFZSA-N 1 2 455.921 3.767 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164700682 719872936 /nfs/dbraw/zinc/87/29/36/719872936.db2.gz FKQIWMCPUKKELG-XMSQKQJNSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC001164703857 719875986 /nfs/dbraw/zinc/87/59/86/719875986.db2.gz KZKHSHYFYYINSQ-PXDATVDWSA-N 1 2 473.017 3.570 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1 ZINC001164724611 720315150 /nfs/dbraw/zinc/31/51/50/720315150.db2.gz SBOVUJSLNJRCIN-MRXNPFEDSA-N 1 2 470.040 3.842 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164824073 720361734 /nfs/dbraw/zinc/36/17/34/720361734.db2.gz IJOTWVHVQQVUQI-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164824073 720361739 /nfs/dbraw/zinc/36/17/39/720361739.db2.gz IJOTWVHVQQVUQI-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccccc5cc4Cl)CC3)C2=O)cs1 ZINC001164826517 720366706 /nfs/dbraw/zinc/36/67/06/720366706.db2.gz WOMVELDMACKEGR-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccccc5cc4Cl)CC3)C2=O)cs1 ZINC001164826517 720366717 /nfs/dbraw/zinc/36/67/17/720366717.db2.gz WOMVELDMACKEGR-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)c(-c5ccccc5F)n4)CC3)C2=O)cs1 ZINC001164826080 720384239 /nfs/dbraw/zinc/38/42/39/720384239.db2.gz WPJQOVXRRPOYSC-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)c(-c5ccccc5F)n4)CC3)C2=O)cs1 ZINC001164826080 720384246 /nfs/dbraw/zinc/38/42/46/720384246.db2.gz WPJQOVXRRPOYSC-UHFFFAOYSA-N 1 2 480.613 3.669 20 0 JHADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830591 720398187 /nfs/dbraw/zinc/39/81/87/720398187.db2.gz SJXNLHSYBJJZNW-UHFFFAOYSA-N 1 2 465.295 3.728 20 0 JHADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831116 720399451 /nfs/dbraw/zinc/39/94/51/720399451.db2.gz VOJPLGUNIPROTE-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729328 720418121 /nfs/dbraw/zinc/41/81/21/720418121.db2.gz HADTZOUEACODBZ-DHIUTWEWSA-N 1 2 479.606 3.529 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729328 720418122 /nfs/dbraw/zinc/41/81/22/720418122.db2.gz HADTZOUEACODBZ-DHIUTWEWSA-N 1 2 479.606 3.529 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164855403 720895813 /nfs/dbraw/zinc/89/58/13/720895813.db2.gz BUVHCKKAPJJMHN-UHFFFAOYSA-N 1 2 492.317 3.693 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164857850 720895974 /nfs/dbraw/zinc/89/59/74/720895974.db2.gz KEJJESVJWGDXBF-UHFFFAOYSA-N 1 2 483.910 3.554 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755898 720979850 /nfs/dbraw/zinc/97/98/50/720979850.db2.gz CSOWIBKJMHOXSW-MRXNPFEDSA-N 1 2 460.916 3.996 20 0 JHADLO O=C(c1cscn1)N1CCC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164874753 721328302 /nfs/dbraw/zinc/32/83/02/721328302.db2.gz IYWROMNIGAZCTN-UHFFFAOYSA-N 1 2 474.634 3.624 20 0 JHADLO O=C(c1cscn1)N1CCC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164874753 721328309 /nfs/dbraw/zinc/32/83/09/721328309.db2.gz IYWROMNIGAZCTN-UHFFFAOYSA-N 1 2 474.634 3.624 20 0 JHADLO COc1ccc2nc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164784068 721429258 /nfs/dbraw/zinc/42/92/58/721429258.db2.gz KIYQRQJWDSIMER-CHWSQXEVSA-N 1 2 451.930 3.861 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001165009359 721715063 /nfs/dbraw/zinc/71/50/63/721715063.db2.gz SUAZIJZKAROTKX-UHFFFAOYSA-N 1 2 462.936 3.579 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001165009359 721715068 /nfs/dbraw/zinc/71/50/68/721715068.db2.gz SUAZIJZKAROTKX-UHFFFAOYSA-N 1 2 462.936 3.579 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164948853 721979672 /nfs/dbraw/zinc/97/96/72/721979672.db2.gz MIHRGPHFCWTJRA-UHFFFAOYSA-N 1 2 460.553 3.771 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164948853 721979674 /nfs/dbraw/zinc/97/96/74/721979674.db2.gz MIHRGPHFCWTJRA-UHFFFAOYSA-N 1 2 460.553 3.771 20 0 JHADLO Cn1nnc(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1C(F)F ZINC001311287881 1069317227 /nfs/dbraw/zinc/31/72/27/1069317227.db2.gz KSASXAIISUDKRG-UHFFFAOYSA-N 1 2 450.490 3.970 20 0 JHADLO CC(C)(C)OC(=O)NCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001311318858 1069323307 /nfs/dbraw/zinc/32/33/07/1069323307.db2.gz WCBLWIPAWMJNOT-UHFFFAOYSA-N 1 2 457.600 3.981 20 0 JHADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346334 1069332870 /nfs/dbraw/zinc/33/28/70/1069332870.db2.gz YZWQSHNQTGKEMF-OFNKIYASSA-N 1 2 450.583 3.718 20 0 JHADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346334 1069332884 /nfs/dbraw/zinc/33/28/84/1069332884.db2.gz YZWQSHNQTGKEMF-OFNKIYASSA-N 1 2 450.583 3.718 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633109 1069335781 /nfs/dbraw/zinc/33/57/81/1069335781.db2.gz QNJZUCXOXISBDV-ZJSXRUAMSA-N 1 2 485.673 3.881 20 0 JHADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2Br)CC1 ZINC001311350160 1069336411 /nfs/dbraw/zinc/33/64/11/1069336411.db2.gz RRCVSPYDJMLIQT-LJQANCHMSA-N 1 2 458.400 3.681 20 0 JHADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2Br)CC1 ZINC001311350160 1069336424 /nfs/dbraw/zinc/33/64/24/1069336424.db2.gz RRCVSPYDJMLIQT-LJQANCHMSA-N 1 2 458.400 3.681 20 0 JHADLO O=C(NCc1ccccc1Cn1cncn1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311372422 1069348496 /nfs/dbraw/zinc/34/84/96/1069348496.db2.gz GQAOMXTULGSYMK-OAQYLSRUSA-N 1 2 456.953 3.755 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001311372743 1069349129 /nfs/dbraw/zinc/34/91/29/1069349129.db2.gz GZLXSHBJEJBGBS-QAPCUYQASA-N 1 2 454.974 3.925 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCCCc2nnc[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311451584 1069384835 /nfs/dbraw/zinc/38/48/35/1069384835.db2.gz KCOAVZDTZUNFTN-LJQANCHMSA-N 1 2 456.641 3.620 20 0 JHADLO CSc1ccc([C@@H](CNC(=O)NCCCc2nnc[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC001311451584 1069384843 /nfs/dbraw/zinc/38/48/43/1069384843.db2.gz KCOAVZDTZUNFTN-LJQANCHMSA-N 1 2 456.641 3.620 20 0 JHADLO CCc1ccc(C[NH+]2CCN(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)CC2)s1 ZINC001311481842 1069398080 /nfs/dbraw/zinc/39/80/80/1069398080.db2.gz CDTYHRFETKNKBF-UHFFFAOYSA-N 1 2 458.603 3.582 20 0 JHADLO CC(=O)N1CCC(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC001311548325 1069433630 /nfs/dbraw/zinc/43/36/30/1069433630.db2.gz XNGHMOXSBZMIIX-DEOSSOPVSA-N 1 2 455.002 3.768 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001306732808 1069491213 /nfs/dbraw/zinc/49/12/13/1069491213.db2.gz MADJUSSJERODTN-PMACEKPBSA-N 1 2 492.624 3.927 20 0 JHADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306740753 1069514681 /nfs/dbraw/zinc/51/46/81/1069514681.db2.gz UNYJBLCCADBSOA-QFIPXVFZSA-N 1 2 461.614 3.809 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755498 1069533930 /nfs/dbraw/zinc/53/39/30/1069533930.db2.gz DAALAFKRBHTUON-OALUTQOASA-N 1 2 452.780 3.974 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755498 1069533932 /nfs/dbraw/zinc/53/39/32/1069533932.db2.gz DAALAFKRBHTUON-OALUTQOASA-N 1 2 452.780 3.974 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755500 1069534389 /nfs/dbraw/zinc/53/43/89/1069534389.db2.gz DAALAFKRBHTUON-RBUKOAKNSA-N 1 2 452.780 3.974 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755500 1069534394 /nfs/dbraw/zinc/53/43/94/1069534394.db2.gz DAALAFKRBHTUON-RBUKOAKNSA-N 1 2 452.780 3.974 20 0 JHADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001306755712 1069552720 /nfs/dbraw/zinc/55/27/20/1069552720.db2.gz XSMHZTFTNNYEFJ-HTAPYJJXSA-N 1 2 450.564 3.664 20 0 JHADLO CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001306768758 1069568482 /nfs/dbraw/zinc/56/84/82/1069568482.db2.gz AFBCCOWVQINUNV-IBGZPJMESA-N 1 2 471.627 3.944 20 0 JHADLO CCCN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306814783 1069636377 /nfs/dbraw/zinc/63/63/77/1069636377.db2.gz NZOHRBUPFZXEQT-CTNGQTDRSA-N 1 2 476.666 3.697 20 0 JHADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001311974259 1069645084 /nfs/dbraw/zinc/64/50/84/1069645084.db2.gz YCZUVRVVIVIRCK-KNQAVFIVSA-N 1 2 453.587 3.736 20 0 JHADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311969008 1069642603 /nfs/dbraw/zinc/64/26/03/1069642603.db2.gz KOAOENHCJYQCHS-QGZVFWFLSA-N 1 2 452.477 3.803 20 0 JHADLO CCOc1cc2c(cc1OCC)CN(c1nnc([C@@H](C)CC)n1C[C@@H](C)[NH+]1CCOCC1)CC2 ZINC001314166732 1069666513 /nfs/dbraw/zinc/66/65/13/1069666513.db2.gz YMSGKNXDABBIMM-VQTJNVASSA-N 1 2 471.646 3.872 20 0 JHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC001306886605 1069673857 /nfs/dbraw/zinc/67/38/57/1069673857.db2.gz GAMJYFKHXLVQJA-JOCHJYFZSA-N 1 2 453.539 3.851 20 0 JHADLO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001306886605 1069673859 /nfs/dbraw/zinc/67/38/59/1069673859.db2.gz GAMJYFKHXLVQJA-JOCHJYFZSA-N 1 2 453.539 3.851 20 0 JHADLO O=C(NCCOC[C@@H]1CCCO1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312027289 1069682504 /nfs/dbraw/zinc/68/25/04/1069682504.db2.gz LXBHLHHBXOWGFZ-ZEQRLZLVSA-N 1 2 458.002 3.952 20 0 JHADLO Cc1ccc(N(C)[C@H]2CCCN(C(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)C2)cc1 ZINC001312045750 1069691216 /nfs/dbraw/zinc/69/12/16/1069691216.db2.gz JLFQCLBQXIEAJP-RSXGOPAZSA-N 1 2 450.627 3.549 20 0 JHADLO CCCn1c(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001307029089 1069736330 /nfs/dbraw/zinc/73/63/30/1069736330.db2.gz KHQZGVXCNNPEIX-RUZDIDTESA-N 1 2 456.635 3.867 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314186369 1069739978 /nfs/dbraw/zinc/73/99/78/1069739978.db2.gz QRRTYCBEFCABLG-LJQANCHMSA-N 1 2 455.628 3.686 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314186369 1069739992 /nfs/dbraw/zinc/73/99/92/1069739992.db2.gz QRRTYCBEFCABLG-LJQANCHMSA-N 1 2 455.628 3.686 20 0 JHADLO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001312180007 1069768353 /nfs/dbraw/zinc/76/83/53/1069768353.db2.gz SMCCSPXCQGVDGP-FQEVSTJZSA-N 1 2 457.619 3.935 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H]3CC)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314196413 1069774416 /nfs/dbraw/zinc/77/44/16/1069774416.db2.gz YPBOMOGOFCCROF-BKSPAHHJSA-N 1 2 498.672 3.606 20 0 JHADLO Cc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492479329 1069792574 /nfs/dbraw/zinc/79/25/74/1069792574.db2.gz FBOIMOGMCBJYFL-RPWUZVMVSA-N 1 2 485.673 3.805 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)O[C@H](C)C2 ZINC001312328582 1069867213 /nfs/dbraw/zinc/86/72/13/1069867213.db2.gz YZCKFDLIGQQZDS-DURYTUKUSA-N 1 2 459.974 3.543 20 0 JHADLO COc1cc2c(cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)O[C@H](C)C2 ZINC001312328582 1069867232 /nfs/dbraw/zinc/86/72/32/1069867232.db2.gz YZCKFDLIGQQZDS-DURYTUKUSA-N 1 2 459.974 3.543 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001314221454 1069872003 /nfs/dbraw/zinc/87/20/03/1069872003.db2.gz YRTVNSKQJRQEMK-HXUWFJFHSA-N 1 2 492.615 3.517 20 0 JHADLO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001307066274 1069874060 /nfs/dbraw/zinc/87/40/60/1069874060.db2.gz WTCVOGSVOLZWLM-UHFFFAOYSA-N 1 2 464.589 3.793 20 0 JHADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(C)c1 ZINC001312352947 1069881676 /nfs/dbraw/zinc/88/16/76/1069881676.db2.gz YHOZHMMFGUGNPB-NHCUHLMSSA-N 1 2 453.587 3.940 20 0 JHADLO COc1ccc([C@H](OC)[C@@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001312385447 1069900654 /nfs/dbraw/zinc/90/06/54/1069900654.db2.gz XYIXZASRHUEXPF-BPYKYCOYSA-N 1 2 455.599 3.704 20 0 JHADLO C[C@@](CO)(c1ccc(Br)cc1)[NH+]1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC001307230053 1069909538 /nfs/dbraw/zinc/90/95/38/1069909538.db2.gz IQFMWSHNGMKPQX-HSZRJFAPSA-N 1 2 453.384 3.936 20 0 JHADLO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433864 1069934048 /nfs/dbraw/zinc/93/40/48/1069934048.db2.gz ZVIFTZWLKNJTNY-YOEHRIQHSA-N 1 2 452.340 3.644 20 0 JHADLO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)c1ccc[nH]1 ZINC001312433864 1069934052 /nfs/dbraw/zinc/93/40/52/1069934052.db2.gz ZVIFTZWLKNJTNY-YOEHRIQHSA-N 1 2 452.340 3.644 20 0 JHADLO CSc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC001307425326 1069978686 /nfs/dbraw/zinc/97/86/86/1069978686.db2.gz CPYBAXCHWDTCMN-HNNXBMFYSA-N 1 2 455.407 3.913 20 0 JHADLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001307426181 1069978765 /nfs/dbraw/zinc/97/87/65/1069978765.db2.gz ZTLYVMSMDDMLSE-CBBWQLFWSA-N 1 2 454.411 3.736 20 0 JHADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001307443521 1069986642 /nfs/dbraw/zinc/98/66/42/1069986642.db2.gz YLCHOIMYXLTJHN-UHFFFAOYSA-N 1 2 457.518 3.806 20 0 JHADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001307443521 1069986652 /nfs/dbraw/zinc/98/66/52/1069986652.db2.gz YLCHOIMYXLTJHN-UHFFFAOYSA-N 1 2 457.518 3.806 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001312521631 1069988380 /nfs/dbraw/zinc/98/83/80/1069988380.db2.gz YCSVZGWGIORCRK-CZAAIQMYSA-N 1 2 450.421 3.665 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)[C@@H](C)C2)cc1 ZINC001307449253 1069989539 /nfs/dbraw/zinc/98/95/39/1069989539.db2.gz BUQPLFGLYZOYBY-VBKZILBWSA-N 1 2 451.336 3.619 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)[C@@H](C)C2)cc1 ZINC001307449253 1069989544 /nfs/dbraw/zinc/98/95/44/1069989544.db2.gz BUQPLFGLYZOYBY-VBKZILBWSA-N 1 2 451.336 3.619 20 0 JHADLO COc1cc(NC(=O)C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c(OC)cc1Cl ZINC001307458619 1069996568 /nfs/dbraw/zinc/99/65/68/1069996568.db2.gz TZBWNFMZVWRZOF-FQEVSTJZSA-N 1 2 451.995 3.799 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)c1 ZINC001307464739 1070000566 /nfs/dbraw/zinc/00/05/66/1070000566.db2.gz IUYKZPKRSQKRFF-VLIAUNLRSA-N 1 2 450.352 3.502 20 0 JHADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC001307564506 1070054278 /nfs/dbraw/zinc/05/42/78/1070054278.db2.gz YVUNQUPIUPATME-SFHVURJKSA-N 1 2 451.589 3.542 20 0 JHADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC001307564506 1070054289 /nfs/dbraw/zinc/05/42/89/1070054289.db2.gz YVUNQUPIUPATME-SFHVURJKSA-N 1 2 451.589 3.542 20 0 JHADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC([C@@H](O)c4nccn4C)CC3)cs2)c1 ZINC001307594795 1070072094 /nfs/dbraw/zinc/07/20/94/1070072094.db2.gz ABAQTVZOTYYWPP-HSZRJFAPSA-N 1 2 453.612 3.620 20 0 JHADLO COc1cc(CNC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC ZINC001307596473 1070071559 /nfs/dbraw/zinc/07/15/59/1070071559.db2.gz HHIUVLBOHIIINC-QHCPKHFHSA-N 1 2 455.942 3.756 20 0 JHADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@@H](CO)c2ccccc2OC)cc1 ZINC001307604947 1070078098 /nfs/dbraw/zinc/07/80/98/1070078098.db2.gz CJWBXTNVFGHTJF-DQEYMECFSA-N 1 2 459.546 3.705 20 0 JHADLO CO[C@H]([C@H](C)NC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC001312701796 1070086260 /nfs/dbraw/zinc/08/62/60/1070086260.db2.gz PWKQOXRRPZOBRG-SQJMNOBHSA-N 1 2 451.611 3.933 20 0 JHADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC001307653625 1070104532 /nfs/dbraw/zinc/10/45/32/1070104532.db2.gz JHQRXEZFZJWJAN-IBGZPJMESA-N 1 2 452.580 3.534 20 0 JHADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC001307653625 1070104539 /nfs/dbraw/zinc/10/45/39/1070104539.db2.gz JHQRXEZFZJWJAN-IBGZPJMESA-N 1 2 452.580 3.534 20 0 JHADLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cs1 ZINC001307672493 1070116404 /nfs/dbraw/zinc/11/64/04/1070116404.db2.gz NRSAYEJLIWKLHJ-QGZVFWFLSA-N 1 2 459.616 3.869 20 0 JHADLO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cs1 ZINC001307672493 1070116413 /nfs/dbraw/zinc/11/64/13/1070116413.db2.gz NRSAYEJLIWKLHJ-QGZVFWFLSA-N 1 2 459.616 3.869 20 0 JHADLO CN(C)C(=O)CC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC001307672858 1070117012 /nfs/dbraw/zinc/11/70/12/1070117012.db2.gz XRIKTMNQJAAKHM-NRFANRHFSA-N 1 2 456.974 3.801 20 0 JHADLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307681694 1070122766 /nfs/dbraw/zinc/12/27/66/1070122766.db2.gz WCSYDSQVMWVSNI-UHFFFAOYSA-N 1 2 455.502 3.694 20 0 JHADLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307681694 1070122774 /nfs/dbraw/zinc/12/27/74/1070122774.db2.gz WCSYDSQVMWVSNI-UHFFFAOYSA-N 1 2 455.502 3.694 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)[C@H](C)S(C)(=O)=O)cc1 ZINC001307727668 1070153023 /nfs/dbraw/zinc/15/30/23/1070153023.db2.gz WGYCICGCPLANQQ-YWZLYKJASA-N 1 2 453.402 3.768 20 0 JHADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733158 1070156840 /nfs/dbraw/zinc/15/68/40/1070156840.db2.gz HKAACJKTWVTDNI-RBBKRZOGSA-N 1 2 458.624 3.739 20 0 JHADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733158 1070156832 /nfs/dbraw/zinc/15/68/32/1070156832.db2.gz HKAACJKTWVTDNI-RBBKRZOGSA-N 1 2 458.624 3.739 20 0 JHADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC001307759320 1070171226 /nfs/dbraw/zinc/17/12/26/1070171226.db2.gz IWAJIJLZLVAPCE-GFCCVEGCSA-N 1 2 455.930 3.582 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758796 1070170103 /nfs/dbraw/zinc/17/01/03/1070170103.db2.gz UJQKAOHUYTYNAF-KDOFPFPSSA-N 1 2 453.436 3.509 20 0 JHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758796 1070170108 /nfs/dbraw/zinc/17/01/08/1070170108.db2.gz UJQKAOHUYTYNAF-KDOFPFPSSA-N 1 2 453.436 3.509 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001314354592 1070175484 /nfs/dbraw/zinc/17/54/84/1070175484.db2.gz IHYFKQCDKUZZIY-UHFFFAOYSA-N 1 2 490.530 3.914 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC001307779370 1070179416 /nfs/dbraw/zinc/17/94/16/1070179416.db2.gz KZHLGDMTJVLVJC-LJQANCHMSA-N 1 2 456.384 3.682 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC001307779370 1070179422 /nfs/dbraw/zinc/17/94/22/1070179422.db2.gz KZHLGDMTJVLVJC-LJQANCHMSA-N 1 2 456.384 3.682 20 0 JHADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312926679 1070184266 /nfs/dbraw/zinc/18/42/66/1070184266.db2.gz PIVPMEZUIXQDRU-NZSAHSFTSA-N 1 2 462.660 3.827 20 0 JHADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312926682 1070184287 /nfs/dbraw/zinc/18/42/87/1070184287.db2.gz PIVPMEZUIXQDRU-YTQUADARSA-N 1 2 462.660 3.827 20 0 JHADLO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806341 1070192379 /nfs/dbraw/zinc/19/23/79/1070192379.db2.gz XRHFMCXEFMKMDR-LPHOPBHVSA-N 1 2 456.608 3.898 20 0 JHADLO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806341 1070192384 /nfs/dbraw/zinc/19/23/84/1070192384.db2.gz XRHFMCXEFMKMDR-LPHOPBHVSA-N 1 2 456.608 3.898 20 0 JHADLO CCN1C[C@H](CNC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1=O ZINC001312967786 1070203744 /nfs/dbraw/zinc/20/37/44/1070203744.db2.gz XPBXEDOBUPFAIJ-CYFREDJKSA-N 1 2 455.002 3.625 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314369931 1070206754 /nfs/dbraw/zinc/20/67/54/1070206754.db2.gz UADPZWNEADCBQP-PXNSSMCTSA-N 1 2 492.615 3.527 20 0 JHADLO C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001312994424 1070216778 /nfs/dbraw/zinc/21/67/78/1070216778.db2.gz UVESPVODFVOZJH-INIZCTEOSA-N 1 2 453.917 3.792 20 0 JHADLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@H]1c1ccccc1 ZINC001307880283 1070221443 /nfs/dbraw/zinc/22/14/43/1070221443.db2.gz IMLXZXSYCQHLCE-LEWJYISDSA-N 1 2 453.539 3.700 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@H]1c1ccccc1 ZINC001307880283 1070221449 /nfs/dbraw/zinc/22/14/49/1070221449.db2.gz IMLXZXSYCQHLCE-LEWJYISDSA-N 1 2 453.539 3.700 20 0 JHADLO O=C(C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307895903 1070230029 /nfs/dbraw/zinc/23/00/29/1070230029.db2.gz CDZDULJPEGEEIP-VWLOTQADSA-N 1 2 455.986 3.935 20 0 JHADLO O=C(C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307895903 1070230039 /nfs/dbraw/zinc/23/00/39/1070230039.db2.gz CDZDULJPEGEEIP-VWLOTQADSA-N 1 2 455.986 3.935 20 0 JHADLO O=C(CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307911394 1070236740 /nfs/dbraw/zinc/23/67/40/1070236740.db2.gz SPEQFKJLXFDATO-GOSISDBHSA-N 1 2 451.468 3.510 20 0 JHADLO O=C(CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307911394 1070236758 /nfs/dbraw/zinc/23/67/58/1070236758.db2.gz SPEQFKJLXFDATO-GOSISDBHSA-N 1 2 451.468 3.510 20 0 JHADLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC001307922089 1070244136 /nfs/dbraw/zinc/24/41/36/1070244136.db2.gz SSYXXBLRKOQBCR-INIZCTEOSA-N 1 2 453.518 3.501 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001314392568 1070248950 /nfs/dbraw/zinc/24/89/50/1070248950.db2.gz RQWPCFUSILOUSY-NBGIEHNGSA-N 1 2 471.650 3.711 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC001313163802 1070275304 /nfs/dbraw/zinc/27/53/04/1070275304.db2.gz UJRLBKZBALTDEV-UHFFFAOYSA-N 1 2 452.393 3.544 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313165124 1070276243 /nfs/dbraw/zinc/27/62/43/1070276243.db2.gz QUGJONJSLQKYHI-XZOQPEGZSA-N 1 2 459.631 3.882 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)c1 ZINC001313165124 1070276259 /nfs/dbraw/zinc/27/62/59/1070276259.db2.gz QUGJONJSLQKYHI-XZOQPEGZSA-N 1 2 459.631 3.882 20 0 JHADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC001308054535 1070294816 /nfs/dbraw/zinc/29/48/16/1070294816.db2.gz IXGRBCAUWQIANC-HXUWFJFHSA-N 1 2 455.502 3.725 20 0 JHADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC001308054535 1070294837 /nfs/dbraw/zinc/29/48/37/1070294837.db2.gz IXGRBCAUWQIANC-HXUWFJFHSA-N 1 2 455.502 3.725 20 0 JHADLO C[C@@H]1Cc2cc(CNC(=O)N(CCn3cc[nH+]c3)Cc3ccc(Br)o3)ccc2O1 ZINC001313253956 1070306244 /nfs/dbraw/zinc/30/62/44/1070306244.db2.gz KPEIDZOAJYKINC-OAHLLOKOSA-N 1 2 459.344 3.974 20 0 JHADLO CCc1cc2c(C[N@@H+]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc(=O)oc2cc1O ZINC001308126987 1070323384 /nfs/dbraw/zinc/32/33/84/1070323384.db2.gz SZICEPQQXQJNSP-UHFFFAOYSA-N 1 2 458.555 3.663 20 0 JHADLO CCc1cc2c(C[N@H+]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc(=O)oc2cc1O ZINC001308126987 1070323400 /nfs/dbraw/zinc/32/34/00/1070323400.db2.gz SZICEPQQXQJNSP-UHFFFAOYSA-N 1 2 458.555 3.663 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC001313305880 1070321428 /nfs/dbraw/zinc/32/14/28/1070321428.db2.gz NXHSUXMVFUAMTF-INIZCTEOSA-N 1 2 456.399 3.824 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172125 1070335594 /nfs/dbraw/zinc/33/55/94/1070335594.db2.gz CMTAAUUMPANABB-KSFYIVLOSA-N 1 2 451.637 3.692 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172125 1070335602 /nfs/dbraw/zinc/33/56/02/1070335602.db2.gz CMTAAUUMPANABB-KSFYIVLOSA-N 1 2 451.637 3.692 20 0 JHADLO COc1nsc(C[NH2+]Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c1Cl ZINC001308269656 1070349463 /nfs/dbraw/zinc/34/94/63/1070349463.db2.gz VOKFPRQWRWFKGZ-UHFFFAOYSA-N 1 2 453.973 3.904 20 0 JHADLO Cc1ccc(CNC(=O)c2c[nH]nc2NCc2c[nH+]c3c(C)cc(Br)cn23)cc1 ZINC001308534585 1070387263 /nfs/dbraw/zinc/38/72/63/1070387263.db2.gz DNMYHDNMQGCZCP-UHFFFAOYSA-N 1 2 453.344 3.979 20 0 JHADLO COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308631319 1070406754 /nfs/dbraw/zinc/40/67/54/1070406754.db2.gz CJIYJCOMLFTVHG-QZTJIDSGSA-N 1 2 450.576 3.714 20 0 JHADLO Cc1cc(Br)cn2c(CN3CCCN(C(=O)Cc4cccc(F)c4)CC3)c[nH+]c12 ZINC001308627223 1070405635 /nfs/dbraw/zinc/40/56/35/1070405635.db2.gz LBJBBFMOMPFJAM-UHFFFAOYSA-N 1 2 459.363 3.821 20 0 JHADLO COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308631319 1070406759 /nfs/dbraw/zinc/40/67/59/1070406759.db2.gz CJIYJCOMLFTVHG-QZTJIDSGSA-N 1 2 450.576 3.714 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842110 1070446808 /nfs/dbraw/zinc/44/68/08/1070446808.db2.gz PXNPYVFAWMQAJP-NXOAAHMSSA-N 1 2 453.605 3.918 20 0 JHADLO COC(=O)c1cnc([C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)s1 ZINC001308842110 1070446811 /nfs/dbraw/zinc/44/68/11/1070446811.db2.gz PXNPYVFAWMQAJP-NXOAAHMSSA-N 1 2 453.605 3.918 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001313469149 1070451637 /nfs/dbraw/zinc/45/16/37/1070451637.db2.gz SFLRLAPYZVQIHB-SFHVURJKSA-N 1 2 496.587 3.752 20 0 JHADLO COc1ccc(C2=NO[C@H](C[NH2+]Cc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)cc1 ZINC001308926632 1070460513 /nfs/dbraw/zinc/46/05/13/1070460513.db2.gz VOOCZNIUMSTLGH-KRWDZBQOSA-N 1 2 458.584 3.728 20 0 JHADLO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3nc(N(C)C)n(-c4ccccc4)c3Cl)C2)cc1 ZINC001308905433 1070457469 /nfs/dbraw/zinc/45/74/69/1070457469.db2.gz DRFQBDUHYMFOBG-JOCHJYFZSA-N 1 2 454.018 3.891 20 0 JHADLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907631 1070457690 /nfs/dbraw/zinc/45/76/90/1070457690.db2.gz XLSYQIMZXAKIRQ-KGLIPLIRSA-N 1 2 453.356 3.664 20 0 JHADLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907631 1070457693 /nfs/dbraw/zinc/45/76/93/1070457693.db2.gz XLSYQIMZXAKIRQ-KGLIPLIRSA-N 1 2 453.356 3.664 20 0 JHADLO O=C1NCCN1c1ccc(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1 ZINC001308919600 1070459784 /nfs/dbraw/zinc/45/97/84/1070459784.db2.gz ZCMXCCKWCSPQHV-UHFFFAOYSA-N 1 2 455.150 3.737 20 0 JHADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001308957877 1070466120 /nfs/dbraw/zinc/46/61/20/1070466120.db2.gz AFQGGZFCZBDVDY-CYBMUJFWSA-N 1 2 455.784 3.739 20 0 JHADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001308957877 1070466130 /nfs/dbraw/zinc/46/61/30/1070466130.db2.gz AFQGGZFCZBDVDY-CYBMUJFWSA-N 1 2 455.784 3.739 20 0 JHADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC001309028345 1070494329 /nfs/dbraw/zinc/49/43/29/1070494329.db2.gz BQSJRGYBFHCNGP-GOSISDBHSA-N 1 2 457.379 3.895 20 0 JHADLO Cc1ccc2cccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)c2n1 ZINC001309099910 1070539807 /nfs/dbraw/zinc/53/98/07/1070539807.db2.gz BHFGSCUZNFFCII-UHFFFAOYSA-N 1 2 459.015 3.687 20 0 JHADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cnc3c(Br)csc3c2)c1C ZINC001309113270 1070546532 /nfs/dbraw/zinc/54/65/32/1070546532.db2.gz YAKVQFPUOFQMGA-UHFFFAOYSA-N 1 2 456.387 3.900 20 0 JHADLO Cc1nc(S(=O)(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccccc2)s1 ZINC001309228266 1070627749 /nfs/dbraw/zinc/62/77/49/1070627749.db2.gz GDYURTWZWDJSHD-UHFFFAOYSA-N 1 2 456.637 3.561 20 0 JHADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)c1Cl ZINC001309260079 1070651734 /nfs/dbraw/zinc/65/17/34/1070651734.db2.gz CKDRGTLLYMOKJS-UHFFFAOYSA-N 1 2 451.967 3.613 20 0 JHADLO CCSCC[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314606532 1070664578 /nfs/dbraw/zinc/66/45/78/1070664578.db2.gz NPHDOHGEVIOLPM-GOSISDBHSA-N 1 2 455.632 3.521 20 0 JHADLO CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001313571330 1070685367 /nfs/dbraw/zinc/68/53/67/1070685367.db2.gz PROPULZABXSLPU-QGZVFWFLSA-N 1 2 456.978 3.635 20 0 JHADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313577454 1070695376 /nfs/dbraw/zinc/69/53/76/1070695376.db2.gz IHIBJUNKNSDEHK-CYFREDJKSA-N 1 2 477.650 4.000 20 0 JHADLO CCSCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314620674 1070698425 /nfs/dbraw/zinc/69/84/25/1070698425.db2.gz IVVWBHGRMUHUCW-UHFFFAOYSA-N 1 2 471.606 3.564 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC001313618267 1070742772 /nfs/dbraw/zinc/74/27/72/1070742772.db2.gz JWEICMUNCBGIHT-SFHVURJKSA-N 1 2 468.581 3.732 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC001313618267 1070742790 /nfs/dbraw/zinc/74/27/90/1070742790.db2.gz JWEICMUNCBGIHT-SFHVURJKSA-N 1 2 468.581 3.732 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314647957 1070751416 /nfs/dbraw/zinc/75/14/16/1070751416.db2.gz CTXCEDWXTNRKSF-VQTJNVASSA-N 1 2 471.556 3.568 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314647955 1070751429 /nfs/dbraw/zinc/75/14/29/1070751429.db2.gz CTXCEDWXTNRKSF-PMACEKPBSA-N 1 2 471.556 3.568 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c[nH+]1 ZINC001314660770 1070784383 /nfs/dbraw/zinc/78/43/83/1070784383.db2.gz JRUYHEIFKWUPQP-UHFFFAOYSA-N 1 2 458.488 3.802 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CCC(N)=O)CC2)c[nH+]1 ZINC001314660005 1070782706 /nfs/dbraw/zinc/78/27/06/1070782706.db2.gz BQERIMWPQWHPIH-UHFFFAOYSA-N 1 2 468.005 3.590 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCn2cccn2)c[nH+]1 ZINC001314660814 1070785182 /nfs/dbraw/zinc/78/51/82/1070785182.db2.gz LKTPYKXQAXERSY-UHFFFAOYSA-N 1 2 499.392 3.689 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001314661764 1070787104 /nfs/dbraw/zinc/78/71/04/1070787104.db2.gz ZVEPZXFOSKUXBT-KRWDZBQOSA-N 1 2 466.895 3.875 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1)C2 ZINC001314664205 1070794293 /nfs/dbraw/zinc/79/42/93/1070794293.db2.gz OFKSDINSYIDXMV-UHFFFAOYSA-N 1 2 489.550 3.520 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSC(C)C)CC1 ZINC001313648142 1070815975 /nfs/dbraw/zinc/81/59/75/1070815975.db2.gz MAOBNJTWQKLUHQ-UHFFFAOYSA-N 1 2 497.084 3.870 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C/c2ccccc2)CC1 ZINC001313648571 1070817061 /nfs/dbraw/zinc/81/70/61/1070817061.db2.gz QTWUFERMOZDETQ-DHZHZOJOSA-N 1 2 494.043 3.697 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(Cl)=C(Cl)C2)c[nH+]1 ZINC001313673863 1070909107 /nfs/dbraw/zinc/90/91/07/1070909107.db2.gz HBDYAXPJUACMJA-UHFFFAOYSA-N 1 2 478.428 3.703 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c[nH+]1 ZINC001313674273 1070910745 /nfs/dbraw/zinc/91/07/45/1070910745.db2.gz RWYVGPCQDPTMKY-RBUKOAKNSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCC(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313677930 1070927781 /nfs/dbraw/zinc/92/77/81/1070927781.db2.gz BBKHPDXKLKRPPP-UHFFFAOYSA-N 1 2 455.651 3.560 20 0 JHADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC001309696313 1070928347 /nfs/dbraw/zinc/92/83/47/1070928347.db2.gz JTJQPQPYEQCEIW-HNNXBMFYSA-N 1 2 459.793 3.664 20 0 JHADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC001309696313 1070928355 /nfs/dbraw/zinc/92/83/55/1070928355.db2.gz JTJQPQPYEQCEIW-HNNXBMFYSA-N 1 2 459.793 3.664 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001313678583 1070930150 /nfs/dbraw/zinc/93/01/50/1070930150.db2.gz DLRMYDHZZRZLGJ-FQEVSTJZSA-N 1 2 495.594 3.536 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N(C)[C@@H]3CCSC3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313678885 1070933035 /nfs/dbraw/zinc/93/30/35/1070933035.db2.gz MLGGHSAWMAXJAZ-YKSBVNFPSA-N 1 2 474.675 3.550 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccc1 ZINC001309709763 1070935270 /nfs/dbraw/zinc/93/52/70/1070935270.db2.gz OGSPXRBIEZIWAG-MRXNPFEDSA-N 1 2 456.312 3.723 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)c[nH+]1 ZINC001313679589 1070935675 /nfs/dbraw/zinc/93/56/75/1070935675.db2.gz OIORFPHHCZLSJG-UHFFFAOYSA-N 1 2 496.059 3.904 20 0 JHADLO Cc1sc(C)c(S(=O)(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c1Br ZINC001309802852 1070974894 /nfs/dbraw/zinc/97/48/94/1070974894.db2.gz GJCLRCNOHISZJM-UHFFFAOYSA-N 1 2 453.468 3.639 20 0 JHADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2(CCOCc3ccccc3)CC2)CC1 ZINC001310011205 1071056476 /nfs/dbraw/zinc/05/64/76/1071056476.db2.gz MCLKXLHALCNSBL-UHFFFAOYSA-N 1 2 450.583 3.583 20 0 JHADLO CN(CC1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314817975 1071126201 /nfs/dbraw/zinc/12/62/01/1071126201.db2.gz YXVHICKVUAZIFH-NRFANRHFSA-N 1 2 456.541 3.784 20 0 JHADLO CCN(CC1CCN(c2nnc(C)n2Cc2ccc(N(C)C)[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC001313789115 1071178266 /nfs/dbraw/zinc/17/82/66/1071178266.db2.gz WVXHCXKPOYJHDM-UHFFFAOYSA-N 1 2 457.623 3.569 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1F ZINC001310189011 1071194649 /nfs/dbraw/zinc/19/46/49/1071194649.db2.gz XBIHKWJJKLNNIV-NHCUHLMSSA-N 1 2 451.926 3.698 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC001310189011 1071194656 /nfs/dbraw/zinc/19/46/56/1071194656.db2.gz XBIHKWJJKLNNIV-NHCUHLMSSA-N 1 2 451.926 3.698 20 0 JHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC001310217893 1071214954 /nfs/dbraw/zinc/21/49/54/1071214954.db2.gz BVIQVOMRUKBPNB-UHFFFAOYSA-N 1 2 453.543 3.608 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)C1CC1 ZINC001314870883 1071282627 /nfs/dbraw/zinc/28/26/27/1071282627.db2.gz WDNWQFGILXTIIZ-UHFFFAOYSA-N 1 2 479.467 3.641 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001314873168 1071290046 /nfs/dbraw/zinc/29/00/46/1071290046.db2.gz AQORXHBBPORTGS-UHFFFAOYSA-N 1 2 482.698 3.828 20 0 JHADLO CN(CCS(C)(=O)=O)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314886031 1071314787 /nfs/dbraw/zinc/31/47/87/1071314787.db2.gz LQIYCAAVUDYSQF-HXUWFJFHSA-N 1 2 487.695 3.593 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001313868555 1071405507 /nfs/dbraw/zinc/40/55/07/1071405507.db2.gz OADNEBHAWCXPFP-FGZHOGPDSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001313868555 1071405512 /nfs/dbraw/zinc/40/55/12/1071405512.db2.gz OADNEBHAWCXPFP-FGZHOGPDSA-N 1 2 487.714 3.730 20 0 JHADLO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNc2cccc[nH+]2)CC1 ZINC001314999151 1071519946 /nfs/dbraw/zinc/51/99/46/1071519946.db2.gz XVBWSNKMUQUHQP-NRFANRHFSA-N 1 2 491.640 3.895 20 0 JHADLO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001315032820 1071563748 /nfs/dbraw/zinc/56/37/48/1071563748.db2.gz VYPCYERJSCPGHO-OAQYLSRUSA-N 1 2 491.640 3.651 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926525 1071577038 /nfs/dbraw/zinc/57/70/38/1071577038.db2.gz DGYASEVZZROVHD-NVQXNPDNSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927581 1071580848 /nfs/dbraw/zinc/58/08/48/1071580848.db2.gz MJFSJFNUXNGQCZ-QHCPKHFHSA-N 1 2 452.647 3.738 20 0 JHADLO CNc1cc(N2CCC[C@H]2Cn2c(C(C)C)nnc2N(C)CCOc2ccc(C)cc2)nc[nH+]1 ZINC001315061653 1071583491 /nfs/dbraw/zinc/58/34/91/1071583491.db2.gz UIAHTHUGGZKECY-FQEVSTJZSA-N 1 2 464.618 3.726 20 0 JHADLO CNc1cc(N2CCC[C@H]2Cn2c(C(C)C)nnc2N(C)CCOc2ccc(C)cc2)[nH+]cn1 ZINC001315061653 1071583497 /nfs/dbraw/zinc/58/34/97/1071583497.db2.gz UIAHTHUGGZKECY-FQEVSTJZSA-N 1 2 464.618 3.726 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928577 1071584668 /nfs/dbraw/zinc/58/46/68/1071584668.db2.gz UJYGOUVMOMKUGM-ZLNRFVROSA-N 1 2 498.716 3.794 20 0 JHADLO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(C)[nH+]3)CC2)C1=O ZINC001313947609 1071632305 /nfs/dbraw/zinc/63/23/05/1071632305.db2.gz MKZCDHDYVAPSBS-UHFFFAOYSA-N 1 2 467.662 3.929 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001314020797 1071772724 /nfs/dbraw/zinc/77/27/24/1071772724.db2.gz ZFIYHFVEPFAWFQ-UHFFFAOYSA-N 1 2 469.977 3.774 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001314021227 1071773851 /nfs/dbraw/zinc/77/38/51/1071773851.db2.gz DVOVFHDSVCPQOC-QHCPKHFHSA-N 1 2 498.672 3.527 20 0 JHADLO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314027010 1071790819 /nfs/dbraw/zinc/79/08/19/1071790819.db2.gz XZLFCWAZMBRCEJ-HXUWFJFHSA-N 1 2 495.603 3.967 20 0 JHADLO CCO[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3C)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074506 1071929828 /nfs/dbraw/zinc/92/98/28/1071929828.db2.gz LCXRZILBYZOASG-DFBJGRDBSA-N 1 2 451.571 3.888 20 0 JHADLO CCO[C@]1(c2nnc(N3CC[C@](C)(CC)C3)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314105103 1071993761 /nfs/dbraw/zinc/99/37/61/1071993761.db2.gz ALYYSVOIDRJTMK-LOSJGSFVSA-N 1 2 456.635 3.846 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001305924880 1068220372 /nfs/dbraw/zinc/22/03/72/1068220372.db2.gz IJFJPQFVYQSUHL-DNQXCXABSA-N 1 2 455.647 3.727 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1 ZINC001305924886 1068220779 /nfs/dbraw/zinc/22/07/79/1068220779.db2.gz IJFJPQFVYQSUHL-ZEQRLZLVSA-N 1 2 455.647 3.727 20 0 JHADLO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1 ZINC001305935615 1068237732 /nfs/dbraw/zinc/23/77/32/1068237732.db2.gz YUEJVVHREQXFEA-UHFFFAOYSA-N 1 2 452.580 3.720 20 0 JHADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)s1 ZINC001306003153 1068378118 /nfs/dbraw/zinc/37/81/18/1068378118.db2.gz YYCUFOFMHJCUMG-GOSISDBHSA-N 1 2 482.658 3.936 20 0 JHADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cc(F)cc(OC)c1 ZINC001306075503 1068508150 /nfs/dbraw/zinc/50/81/50/1068508150.db2.gz NRUUMYFLAPGWHU-HXUWFJFHSA-N 1 2 459.591 3.608 20 0 JHADLO CCc1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001306100291 1068518003 /nfs/dbraw/zinc/51/80/03/1068518003.db2.gz YZZSDSYKUCKXDT-UHFFFAOYSA-N 1 2 475.641 3.581 20 0 JHADLO CCc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001306108032 1068521027 /nfs/dbraw/zinc/52/10/27/1068521027.db2.gz FTWSGXFODLWKTB-SJLPKXTDSA-N 1 2 452.525 3.676 20 0 JHADLO CCc1nnc(N2CCC(OCCC(C)C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306150599 1068552462 /nfs/dbraw/zinc/55/24/62/1068552462.db2.gz ZGQFQMUNHMGYCR-FQEVSTJZSA-N 1 2 456.635 3.540 20 0 JHADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306188735 1068581427 /nfs/dbraw/zinc/58/14/27/1068581427.db2.gz NYYIPQQRLQFONM-KRWDZBQOSA-N 1 2 469.565 3.659 20 0 JHADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001306205551 1068596058 /nfs/dbraw/zinc/59/60/58/1068596058.db2.gz NPUQQJBBASBFLJ-UHFFFAOYSA-N 1 2 481.457 3.742 20 0 JHADLO CCc1noc(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001306235493 1068628529 /nfs/dbraw/zinc/62/85/29/1068628529.db2.gz FVVUPKNTZYJOMH-UHFFFAOYSA-N 1 2 470.593 3.854 20 0 JHADLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306284685 1068702237 /nfs/dbraw/zinc/70/22/37/1068702237.db2.gz USLHKPLQFQKFOW-WIYYLYMNSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306284685 1068702246 /nfs/dbraw/zinc/70/22/46/1068702246.db2.gz USLHKPLQFQKFOW-WIYYLYMNSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c[nH+]ccc1OC ZINC001306346034 1068783079 /nfs/dbraw/zinc/78/30/79/1068783079.db2.gz KUMUSBVYINNWLS-GOSISDBHSA-N 1 2 453.543 3.802 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001306392408 1068833389 /nfs/dbraw/zinc/83/33/89/1068833389.db2.gz BXYSNZFQLLWPLN-FCHUYYIVSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001306392408 1068833403 /nfs/dbraw/zinc/83/34/03/1068833403.db2.gz BXYSNZFQLLWPLN-FCHUYYIVSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001306392412 1068833448 /nfs/dbraw/zinc/83/34/48/1068833448.db2.gz BXYSNZFQLLWPLN-VXKWHMMOSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001306392412 1068833466 /nfs/dbraw/zinc/83/34/66/1068833466.db2.gz BXYSNZFQLLWPLN-VXKWHMMOSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001306415241 1068903503 /nfs/dbraw/zinc/90/35/03/1068903503.db2.gz OMCYOYPWPMNDMZ-CBGDNZLLSA-N 1 2 458.557 3.868 20 0 JHADLO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CCO1 ZINC001306435959 1068939670 /nfs/dbraw/zinc/93/96/70/1068939670.db2.gz XFDRISFQJCJNHK-DHIUTWEWSA-N 1 2 455.647 3.864 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306458919 1068992025 /nfs/dbraw/zinc/99/20/25/1068992025.db2.gz TWZFYVVZDQHWGQ-XLIONFOSSA-N 1 2 454.550 3.509 20 0 JHADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccc(Cl)cc1-n1cccn1 ZINC001310569148 1069023029 /nfs/dbraw/zinc/02/30/29/1069023029.db2.gz JFQKWUCCZYYQKQ-UHFFFAOYSA-N 1 2 455.946 3.558 20 0 JHADLO CC/C=C\Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001306488231 1069026571 /nfs/dbraw/zinc/02/65/71/1069026571.db2.gz FULVFZTWYZSHHV-BBIZLLLXSA-N 1 2 487.048 3.610 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306497181 1069045494 /nfs/dbraw/zinc/04/54/94/1069045494.db2.gz GGERUJIUZNOTHH-FQEVSTJZSA-N 1 2 468.989 3.936 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001306504310 1069076575 /nfs/dbraw/zinc/07/65/75/1069076575.db2.gz CSMXMLYXPOWROV-DEOSSOPVSA-N 1 2 482.673 3.669 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306507895 1069093821 /nfs/dbraw/zinc/09/38/21/1069093821.db2.gz VNCBXDGRZLGQAC-NRFANRHFSA-N 1 2 483.016 3.859 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306533548 1069176816 /nfs/dbraw/zinc/17/68/16/1069176816.db2.gz AXFVXQOSVXLMMY-DHLKQENFSA-N 1 2 492.064 3.925 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1F ZINC001310833275 1069184489 /nfs/dbraw/zinc/18/44/89/1069184489.db2.gz PRGQJHLZQKXTRT-APWZRJJASA-N 1 2 453.873 3.598 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1F ZINC001310833275 1069184495 /nfs/dbraw/zinc/18/44/95/1069184495.db2.gz PRGQJHLZQKXTRT-APWZRJJASA-N 1 2 453.873 3.598 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001306538717 1069186046 /nfs/dbraw/zinc/18/60/46/1069186046.db2.gz XZHMKBBZQDRRIX-REHUZNOOSA-N 1 2 477.675 3.642 20 0 JHADLO Cc1nn(C)c(NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1Cl ZINC001310928214 1069223909 /nfs/dbraw/zinc/22/39/09/1069223909.db2.gz RIXMZBVEWVOJLB-UHFFFAOYSA-N 1 2 457.941 3.564 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306581061 1069245985 /nfs/dbraw/zinc/24/59/85/1069245985.db2.gz OAHGOMGEUIRBMX-PWRODBHTSA-N 1 2 478.682 3.738 20 0 JHADLO FC(F)(Oc1cnc(Cl)cn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421756 718890983 /nfs/dbraw/zinc/89/09/83/718890983.db2.gz XWLOUXKOQXAJLS-LLVKDONJSA-N 1 2 460.666 3.543 20 0 JHADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1=O ZINC001164635375 719273056 /nfs/dbraw/zinc/27/30/56/719273056.db2.gz PFQCFYVKRZMDQS-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1=O ZINC001164635375 719273059 /nfs/dbraw/zinc/27/30/59/719273059.db2.gz PFQCFYVKRZMDQS-UHFFFAOYSA-N 1 2 471.605 3.570 20 0 JHADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164663518 719348217 /nfs/dbraw/zinc/34/82/17/719348217.db2.gz JGHHFGVYRPIRGX-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164663518 719348220 /nfs/dbraw/zinc/34/82/20/719348220.db2.gz JGHHFGVYRPIRGX-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164658920 719351066 /nfs/dbraw/zinc/35/10/66/719351066.db2.gz LXQZOXHECSKOTD-UHFFFAOYSA-N 1 2 480.975 3.812 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164658920 719351070 /nfs/dbraw/zinc/35/10/70/719351070.db2.gz LXQZOXHECSKOTD-UHFFFAOYSA-N 1 2 480.975 3.812 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164665422 719356276 /nfs/dbraw/zinc/35/62/76/719356276.db2.gz WVGSOJPZDQXTAH-UHFFFAOYSA-N 1 2 457.582 3.672 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164665422 719356279 /nfs/dbraw/zinc/35/62/79/719356279.db2.gz WVGSOJPZDQXTAH-UHFFFAOYSA-N 1 2 457.582 3.672 20 0 JHADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673013 719506311 /nfs/dbraw/zinc/50/63/11/719506311.db2.gz MGKNZDLWWBAZQB-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673013 719506317 /nfs/dbraw/zinc/50/63/17/719506317.db2.gz MGKNZDLWWBAZQB-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)cc1 ZINC001164695083 719830186 /nfs/dbraw/zinc/83/01/86/719830186.db2.gz AXSANHFPQRDFBD-JOCHJYFZSA-N 1 2 455.921 3.767 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC001164698054 719847635 /nfs/dbraw/zinc/84/76/35/719847635.db2.gz DQXDXSRLLXGSEB-DYZYQPBXSA-N 1 2 457.185 3.928 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164698344 719850941 /nfs/dbraw/zinc/85/09/41/719850941.db2.gz BNMXWNAAIISQSN-DYESRHJHSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1Cl ZINC001164703478 719878190 /nfs/dbraw/zinc/87/81/90/719878190.db2.gz SNNXNUTUNSFWLR-NYHFZMIOSA-N 1 2 481.380 3.808 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCC)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164716920 720063786 /nfs/dbraw/zinc/06/37/86/720063786.db2.gz XTVWUAOPRQTUDI-LVCYWYKZSA-N 1 2 488.654 3.935 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164723906 720316105 /nfs/dbraw/zinc/31/61/05/720316105.db2.gz PTMHPDHCVARJJP-QGZVFWFLSA-N 1 2 475.931 3.754 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5c6ccccc6oc54)CC3)C2=O)cs1 ZINC001164820739 720374486 /nfs/dbraw/zinc/37/44/86/720374486.db2.gz SIPUIPVDINAJGH-UHFFFAOYSA-N 1 2 476.606 3.763 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5c6ccccc6oc54)CC3)C2=O)cs1 ZINC001164820739 720374493 /nfs/dbraw/zinc/37/44/93/720374493.db2.gz SIPUIPVDINAJGH-UHFFFAOYSA-N 1 2 476.606 3.763 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(F)cc5ncnc(Cl)c54)CC3)C2=O)cs1 ZINC001164819703 720377367 /nfs/dbraw/zinc/37/73/67/720377367.db2.gz GOIIKGQKFBLUKA-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(F)cc5ncnc(Cl)c54)CC3)C2=O)cs1 ZINC001164819703 720377371 /nfs/dbraw/zinc/37/73/71/720377371.db2.gz GOIIKGQKFBLUKA-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)c(Cl)cc4Cl)CC3)C2=O)cs1 ZINC001164819406 720377952 /nfs/dbraw/zinc/37/79/52/720377952.db2.gz DUYJPYKZXLVRFY-UHFFFAOYSA-N 1 2 454.427 3.775 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)c(Cl)cc4Cl)CC3)C2=O)cs1 ZINC001164819406 720377956 /nfs/dbraw/zinc/37/79/56/720377956.db2.gz DUYJPYKZXLVRFY-UHFFFAOYSA-N 1 2 454.427 3.775 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164824130 720441474 /nfs/dbraw/zinc/44/14/74/720441474.db2.gz MMBJMVRQJDBAMQ-KRWDZBQOSA-N 1 2 496.662 3.606 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164833236 720462318 /nfs/dbraw/zinc/46/23/18/720462318.db2.gz ZMMRVJASPQTLGS-SFHVURJKSA-N 1 2 491.970 3.619 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164832269 720463555 /nfs/dbraw/zinc/46/35/55/720463555.db2.gz SKGJWEIODOINIV-KRWDZBQOSA-N 1 2 491.970 3.619 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164829915 720466486 /nfs/dbraw/zinc/46/64/86/720466486.db2.gz HQBUIJPUQLUHSY-NRFANRHFSA-N 1 2 498.027 3.500 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164856945 720896167 /nfs/dbraw/zinc/89/61/67/720896167.db2.gz IIQHKGFRLBNMCW-UHFFFAOYSA-N 1 2 489.939 3.615 20 0 JHADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755576 720976773 /nfs/dbraw/zinc/97/67/73/720976773.db2.gz AUXZCNDZYJGPKA-MRXNPFEDSA-N 1 2 481.931 3.501 20 0 JHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758925 720982627 /nfs/dbraw/zinc/98/26/27/720982627.db2.gz XCRKVJKZFVZYMM-HNNXBMFYSA-N 1 2 455.893 3.631 20 0 JHADLO CCn1nnc2c1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)[C@@H]2COCc1ccccc1 ZINC001164765704 721048148 /nfs/dbraw/zinc/04/81/48/721048148.db2.gz DCEHVOZWWYOAMN-HHHXNRCGSA-N 1 2 495.631 3.967 20 0 JHADLO CCn1nnc2c1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)[C@@H]2COCc1ccccc1 ZINC001164765704 721048153 /nfs/dbraw/zinc/04/81/53/721048153.db2.gz DCEHVOZWWYOAMN-HHHXNRCGSA-N 1 2 495.631 3.967 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC4CC3(C(=O)N3CCCC3)C4)c2c1C ZINC001164872139 721237828 /nfs/dbraw/zinc/23/78/28/721237828.db2.gz KDJCUBNZJGTBAW-UHFFFAOYSA-N 1 2 497.665 3.754 20 0 JHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770039 721278162 /nfs/dbraw/zinc/27/81/62/721278162.db2.gz SVRLYNZFOMCCDU-CYBMUJFWSA-N 1 2 477.928 3.678 20 0 JHADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914089 721787850 /nfs/dbraw/zinc/78/78/50/721787850.db2.gz BIPHFARWQUEKGG-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914089 721787852 /nfs/dbraw/zinc/78/78/52/721787852.db2.gz BIPHFARWQUEKGG-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913755 721797821 /nfs/dbraw/zinc/79/78/21/721797821.db2.gz GVGSNGDPVDGNOX-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913755 721797823 /nfs/dbraw/zinc/79/78/23/721797823.db2.gz GVGSNGDPVDGNOX-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914943 721801150 /nfs/dbraw/zinc/80/11/50/721801150.db2.gz ROIYVMINEJIGDT-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914943 721801151 /nfs/dbraw/zinc/80/11/51/721801151.db2.gz ROIYVMINEJIGDT-SANMLTNESA-N 1 2 496.011 3.988 20 0 JHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)CC1 ZINC001164917226 721816920 /nfs/dbraw/zinc/81/69/20/721816920.db2.gz DUJUFKQDXXLXLL-UHFFFAOYSA-N 1 2 489.020 3.812 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164918074 721820023 /nfs/dbraw/zinc/82/00/23/721820023.db2.gz AKILLLYSDOKSGW-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164918074 721820025 /nfs/dbraw/zinc/82/00/25/721820025.db2.gz AKILLLYSDOKSGW-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO COc1ccc(Oc2cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc(C)n2)cc1 ZINC001164950629 721980855 /nfs/dbraw/zinc/98/08/55/721980855.db2.gz WCGOBZGJYCIRRD-UHFFFAOYSA-N 1 2 473.577 3.557 20 0 JHADLO COc1ccc(Oc2cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc(C)n2)cc1 ZINC001164950629 721980857 /nfs/dbraw/zinc/98/08/57/721980857.db2.gz WCGOBZGJYCIRRD-UHFFFAOYSA-N 1 2 473.577 3.557 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164973634 722097124 /nfs/dbraw/zinc/09/71/24/722097124.db2.gz BJQCFMFBFICQLO-PPJWLVRDSA-N 1 2 468.605 3.581 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164973634 722097125 /nfs/dbraw/zinc/09/71/25/722097125.db2.gz BJQCFMFBFICQLO-PPJWLVRDSA-N 1 2 468.605 3.581 20 0 JHADLO COc1cc2ccc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)[nH+]c2cc1OC ZINC001164986930 722183799 /nfs/dbraw/zinc/18/37/99/722183799.db2.gz FVXOIOAGWSHLLA-RTWAWAEBSA-N 1 2 454.596 3.887 20 0 JHADLO COC(=O)C[C@H](c1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1)C1CC1 ZINC001164991448 722184828 /nfs/dbraw/zinc/18/48/28/722184828.db2.gz UKQRZDIBNYMUJT-RJGXRXQPSA-N 1 2 470.639 3.773 20 0 JHADLO COc1cc2[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)ccc2c(OC)c1 ZINC001164989191 722186355 /nfs/dbraw/zinc/18/63/55/722186355.db2.gz OTPGWKXBPQPVJQ-VXKWHMMOSA-N 1 2 454.596 3.887 20 0 JHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC001311283692 1069316286 /nfs/dbraw/zinc/31/62/86/1069316286.db2.gz CIFGTOPJIXIOBB-UYAOXDASSA-N 1 2 454.493 3.851 20 0 JHADLO COC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC(c2ccccc2)CC1 ZINC001311349030 1069335863 /nfs/dbraw/zinc/33/58/63/1069335863.db2.gz LICKNOUKFSZUNP-AYIJWJHJSA-N 1 2 451.611 3.930 20 0 JHADLO COC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC(c2ccccc2)CC1 ZINC001311349030 1069335873 /nfs/dbraw/zinc/33/58/73/1069335873.db2.gz LICKNOUKFSZUNP-AYIJWJHJSA-N 1 2 451.611 3.930 20 0 JHADLO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001311351912 1069338285 /nfs/dbraw/zinc/33/82/85/1069338285.db2.gz IJYZIUHZVDWBJK-RUZDIDTESA-N 1 2 458.566 3.593 20 0 JHADLO CCCc1ccc([C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c2cccs2)cc1 ZINC001311552975 1069436132 /nfs/dbraw/zinc/43/61/32/1069436132.db2.gz IRQPDHODTBGYDO-WIOPSUGQSA-N 1 2 457.640 3.705 20 0 JHADLO CCCc1ccc([C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c2cccs2)cc1 ZINC001311552975 1069436134 /nfs/dbraw/zinc/43/61/34/1069436134.db2.gz IRQPDHODTBGYDO-WIOPSUGQSA-N 1 2 457.640 3.705 20 0 JHADLO CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001306703160 1069439140 /nfs/dbraw/zinc/43/91/40/1069439140.db2.gz PADAFKVVLYOFGG-SFHVURJKSA-N 1 2 459.038 3.968 20 0 JHADLO CCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306708925 1069443198 /nfs/dbraw/zinc/44/31/98/1069443198.db2.gz OGFGCHJXNDJXRG-HXUWFJFHSA-N 1 2 461.054 3.630 20 0 JHADLO C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1OCc1ccccc1 ZINC001311701836 1069510697 /nfs/dbraw/zinc/51/06/97/1069510697.db2.gz XIQQJHXZVVPTOH-CJFMBICVSA-N 1 2 455.624 3.834 20 0 JHADLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC001311706210 1069511795 /nfs/dbraw/zinc/51/17/95/1069511795.db2.gz OQJUFPSRZKEPEW-LEWJYISDSA-N 1 2 458.971 3.538 20 0 JHADLO CCCCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001306743887 1069523157 /nfs/dbraw/zinc/52/31/57/1069523157.db2.gz QFSDVYYZNJFZEG-UHFFFAOYSA-N 1 2 489.668 3.819 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311727680 1069524008 /nfs/dbraw/zinc/52/40/08/1069524008.db2.gz RCXQSCRBPASJHO-AVIJNYRZSA-N 1 2 459.974 3.761 20 0 JHADLO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311727680 1069524017 /nfs/dbraw/zinc/52/40/17/1069524017.db2.gz RCXQSCRBPASJHO-AVIJNYRZSA-N 1 2 459.974 3.761 20 0 JHADLO C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311783705 1069544667 /nfs/dbraw/zinc/54/46/67/1069544667.db2.gz MCNRFPMXLKIEHH-JPYJTQIMSA-N 1 2 451.546 3.785 20 0 JHADLO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001306775773 1069571884 /nfs/dbraw/zinc/57/18/84/1069571884.db2.gz NWGBYXWFKZYMFI-OALUTQOASA-N 1 2 473.622 3.515 20 0 JHADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC001311837190 1069572111 /nfs/dbraw/zinc/57/21/11/1069572111.db2.gz KUODPGNPCQTLTC-UHFFFAOYSA-N 1 2 458.534 3.618 20 0 JHADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001311875372 1069591159 /nfs/dbraw/zinc/59/11/59/1069591159.db2.gz WYMXQDINNVJLEY-QFIPXVFZSA-N 1 2 459.974 3.611 20 0 JHADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001311875372 1069591168 /nfs/dbraw/zinc/59/11/68/1069591168.db2.gz WYMXQDINNVJLEY-QFIPXVFZSA-N 1 2 459.974 3.611 20 0 JHADLO CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306809107 1069627197 /nfs/dbraw/zinc/62/71/97/1069627197.db2.gz STTHKZKMXTZYCK-IFMALSPDSA-N 1 2 459.610 3.757 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953838 1069632463 /nfs/dbraw/zinc/63/24/63/1069632463.db2.gz NMXJFTYAKIDFQR-OALUTQOASA-N 1 2 454.974 3.706 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953838 1069632467 /nfs/dbraw/zinc/63/24/67/1069632467.db2.gz NMXJFTYAKIDFQR-OALUTQOASA-N 1 2 454.974 3.706 20 0 JHADLO COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)oc1C ZINC001311954789 1069634008 /nfs/dbraw/zinc/63/40/08/1069634008.db2.gz RUPHQBVABXDLFG-QGZVFWFLSA-N 1 2 451.926 3.973 20 0 JHADLO COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)oc1C ZINC001311954789 1069634017 /nfs/dbraw/zinc/63/40/17/1069634017.db2.gz RUPHQBVABXDLFG-QGZVFWFLSA-N 1 2 451.926 3.973 20 0 JHADLO CCOc1cc(Cn2c(C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1OC ZINC001314159912 1069641711 /nfs/dbraw/zinc/64/17/11/1069641711.db2.gz JVQHRLSTXZRBSL-FQEVSTJZSA-N 1 2 471.627 3.613 20 0 JHADLO C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311984036 1069650309 /nfs/dbraw/zinc/65/03/09/1069650309.db2.gz OEFULODEJFBERF-INIZCTEOSA-N 1 2 456.990 3.607 20 0 JHADLO C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001311984036 1069650313 /nfs/dbraw/zinc/65/03/13/1069650313.db2.gz OEFULODEJFBERF-INIZCTEOSA-N 1 2 456.990 3.607 20 0 JHADLO CCOc1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1OC ZINC001314162857 1069653357 /nfs/dbraw/zinc/65/33/57/1069653357.db2.gz HLAGSOJLOARNIZ-UHFFFAOYSA-N 1 2 479.629 3.747 20 0 JHADLO CCOc1ccc(-c2nnc(N(C)OC)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1OC ZINC001314165464 1069662656 /nfs/dbraw/zinc/66/26/56/1069662656.db2.gz AQCVCGKDUARFCN-UHFFFAOYSA-N 1 2 452.559 3.784 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(O)(CC)CC)cc1OC ZINC001314171643 1069686765 /nfs/dbraw/zinc/68/67/65/1069686765.db2.gz IBJULJRSVAVNTR-UHFFFAOYSA-N 1 2 494.640 3.927 20 0 JHADLO O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312048645 1069692517 /nfs/dbraw/zinc/69/25/17/1069692517.db2.gz QVLVNEXLFPKPTI-FTJBHMTQSA-N 1 2 458.606 3.651 20 0 JHADLO O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312049781 1069693355 /nfs/dbraw/zinc/69/33/55/1069693355.db2.gz UPQMVMBYCNAOGV-KAYWLYCHSA-N 1 2 459.590 3.630 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC001312076821 1069709843 /nfs/dbraw/zinc/70/98/43/1069709843.db2.gz JUXSMZJZYFJTLB-UXHICEINSA-N 1 2 451.958 3.852 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)CC2)cc1 ZINC001312097917 1069719920 /nfs/dbraw/zinc/71/99/20/1069719920.db2.gz VVRTVLNZOLYBBL-UHFFFAOYSA-N 1 2 456.034 3.902 20 0 JHADLO CCOc1ccc(CCn2c(CC)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1OCC ZINC001314182346 1069727886 /nfs/dbraw/zinc/72/78/86/1069727886.db2.gz IGNYPIGQYLDNIC-UHFFFAOYSA-N 1 2 464.614 3.904 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCS[C@@H](CC)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314200175 1069790678 /nfs/dbraw/zinc/79/06/78/1069790678.db2.gz OMZSAJZMUYCQLM-MZKRTTBSSA-N 1 2 489.686 3.869 20 0 JHADLO CCCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC001307060854 1069850686 /nfs/dbraw/zinc/85/06/86/1069850686.db2.gz AYKNUAWZSQLQRI-UHFFFAOYSA-N 1 2 467.662 3.848 20 0 JHADLO COc1ccc([C@H](OC)[C@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001312385449 1069900384 /nfs/dbraw/zinc/90/03/84/1069900384.db2.gz XYIXZASRHUEXPF-STWLZBDKSA-N 1 2 455.599 3.704 20 0 JHADLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425757 1069927938 /nfs/dbraw/zinc/92/79/38/1069927938.db2.gz LOKPUSQYKABCLK-GNOCETLISA-N 1 2 456.974 3.657 20 0 JHADLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccc2c(c1)CCC(=O)N2 ZINC001312425757 1069927957 /nfs/dbraw/zinc/92/79/57/1069927957.db2.gz LOKPUSQYKABCLK-GNOCETLISA-N 1 2 456.974 3.657 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426618 1069928946 /nfs/dbraw/zinc/92/89/46/1069928946.db2.gz QFNQPPGRLWBYRM-PCCBWWKXSA-N 1 2 452.382 3.788 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426618 1069928954 /nfs/dbraw/zinc/92/89/54/1069928954.db2.gz QFNQPPGRLWBYRM-PCCBWWKXSA-N 1 2 452.382 3.788 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426858 1069929942 /nfs/dbraw/zinc/92/99/42/1069929942.db2.gz SWEAFHWSVMOUAW-PKTZIBPZSA-N 1 2 458.002 3.803 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NC2(Cc3ccccc3)CCOCC2)c2ccc(Cl)cc2)C1 ZINC001312426858 1069929952 /nfs/dbraw/zinc/92/99/52/1069929952.db2.gz SWEAFHWSVMOUAW-PKTZIBPZSA-N 1 2 458.002 3.803 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC)([NH+]2CCOCC2)C1 ZINC001314238699 1069938220 /nfs/dbraw/zinc/93/82/20/1069938220.db2.gz AWCLSUUOHNVBSV-OKFDZGCWSA-N 1 2 471.646 3.761 20 0 JHADLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3I)CC2)ccc1C ZINC001307422913 1069976709 /nfs/dbraw/zinc/97/67/09/1069976709.db2.gz ATRBUJPMWHSCCS-UHFFFAOYSA-N 1 2 450.320 3.566 20 0 JHADLO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC001307431068 1069982436 /nfs/dbraw/zinc/98/24/36/1069982436.db2.gz RIBSKHLIYDBSPR-UHFFFAOYSA-N 1 2 457.596 3.687 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC001307439458 1069985062 /nfs/dbraw/zinc/98/50/62/1069985062.db2.gz VCYFPNXACFKVCM-LJQANCHMSA-N 1 2 458.024 3.599 20 0 JHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001307450932 1069991172 /nfs/dbraw/zinc/99/11/72/1069991172.db2.gz ROQQICKGLMEEDM-AUSIDOKSSA-N 1 2 453.583 3.650 20 0 JHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001307450932 1069991185 /nfs/dbraw/zinc/99/11/85/1069991185.db2.gz ROQQICKGLMEEDM-AUSIDOKSSA-N 1 2 453.583 3.650 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)c1 ZINC001312538595 1070001090 /nfs/dbraw/zinc/00/10/90/1070001090.db2.gz XZFOFRYJTPQIGT-UUOWRZLLSA-N 1 2 451.546 3.746 20 0 JHADLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001307470802 1070003867 /nfs/dbraw/zinc/00/38/67/1070003867.db2.gz LYQMAGVVSBUQOM-VGOFRKELSA-N 1 2 450.501 3.913 20 0 JHADLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001307470826 1070003963 /nfs/dbraw/zinc/00/39/63/1070003963.db2.gz LYQMAGVVSBUQOM-VGSWGCGISA-N 1 2 450.501 3.913 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001312556997 1070012048 /nfs/dbraw/zinc/01/20/48/1070012048.db2.gz UJDPMZSCEVQWDV-PIPMEXSNSA-N 1 2 458.603 3.916 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH+]1CCC(OCCCOC)CC1)CCCC2 ZINC001307489123 1070014007 /nfs/dbraw/zinc/01/40/07/1070014007.db2.gz HPACIZBQHSHIFG-INIZCTEOSA-N 1 2 452.617 3.648 20 0 JHADLO C[C@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC001312585945 1070030694 /nfs/dbraw/zinc/03/06/94/1070030694.db2.gz LFYDXAZIRUAYHH-BLLLJJGKSA-N 1 2 458.731 3.934 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314276174 1070034386 /nfs/dbraw/zinc/03/43/86/1070034386.db2.gz UFDATCDRJOFCKX-NQIIRXRSSA-N 1 2 456.541 3.927 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1sccc1C ZINC001314305664 1070092907 /nfs/dbraw/zinc/09/29/07/1070092907.db2.gz XYRBLQXTZBIOAU-SFHVURJKSA-N 1 2 461.657 3.804 20 0 JHADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)n2)cc(OC)c1OC ZINC001307641080 1070096917 /nfs/dbraw/zinc/09/69/17/1070096917.db2.gz CTUHNPMSGGNVQM-HNNXBMFYSA-N 1 2 452.511 3.740 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc3n1CCCCC3)CCCC2 ZINC001307660282 1070108190 /nfs/dbraw/zinc/10/81/90/1070108190.db2.gz DHIDFATWORJPIB-CABCVRRESA-N 1 2 459.616 3.799 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)CC2)C1 ZINC001312768480 1070112940 /nfs/dbraw/zinc/11/29/40/1070112940.db2.gz PVEAKQITNMOWRM-RJGXRXQPSA-N 1 2 456.631 3.907 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677320 1070119788 /nfs/dbraw/zinc/11/97/88/1070119788.db2.gz NVVQCRJSANPPNI-CZUORRHYSA-N 1 2 457.497 3.570 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677320 1070119796 /nfs/dbraw/zinc/11/97/96/1070119796.db2.gz NVVQCRJSANPPNI-CZUORRHYSA-N 1 2 457.497 3.570 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3cc(Br)ccc3F)C2)c1 ZINC001312788464 1070121769 /nfs/dbraw/zinc/12/17/69/1070121769.db2.gz RQKDQHFJXIMEFX-IBGZPJMESA-N 1 2 450.352 3.597 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3cc(Br)ccc3F)C2)c1 ZINC001312788464 1070121777 /nfs/dbraw/zinc/12/17/77/1070121777.db2.gz RQKDQHFJXIMEFX-IBGZPJMESA-N 1 2 450.352 3.597 20 0 JHADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NCCCN2CCCCCC2=O)ccc1Br ZINC001307724249 1070148606 /nfs/dbraw/zinc/14/86/06/1070148606.db2.gz ORTIUJMSQYRRCD-HXUWFJFHSA-N 1 2 450.421 3.803 20 0 JHADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NCCCN2CCCCCC2=O)ccc1Br ZINC001307724249 1070148610 /nfs/dbraw/zinc/14/86/10/1070148610.db2.gz ORTIUJMSQYRRCD-HXUWFJFHSA-N 1 2 450.421 3.803 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[C@H](C)S(C)(=O)=O)cc1 ZINC001307726707 1070151280 /nfs/dbraw/zinc/15/12/80/1070151280.db2.gz HXALJESCVSMEMJ-SBUREZEXSA-N 1 2 458.580 3.739 20 0 JHADLO CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC001307726212 1070151389 /nfs/dbraw/zinc/15/13/89/1070151389.db2.gz WJSIWTPOYAEDPJ-JOCHJYFZSA-N 1 2 451.611 3.899 20 0 JHADLO CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC001307726212 1070151394 /nfs/dbraw/zinc/15/13/94/1070151394.db2.gz WJSIWTPOYAEDPJ-JOCHJYFZSA-N 1 2 451.611 3.899 20 0 JHADLO CCCN1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1=O ZINC001312889989 1070168973 /nfs/dbraw/zinc/16/89/73/1070168973.db2.gz HGQAAJITMRYZSS-SFHVURJKSA-N 1 2 458.603 3.640 20 0 JHADLO CC(=O)N(c1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)cs1)C1CC1 ZINC001307773584 1070177726 /nfs/dbraw/zinc/17/77/26/1070177726.db2.gz KMRGKYJZLWVHKV-UXHICEINSA-N 1 2 464.632 3.553 20 0 JHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)cc1S(=O)(=O)N(C)C ZINC001307761574 1070172906 /nfs/dbraw/zinc/17/29/06/1070172906.db2.gz UFZUZJBCBQYLAO-UHFFFAOYSA-N 1 2 450.004 3.749 20 0 JHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)cc1S(=O)(=O)N(C)C ZINC001307761574 1070172911 /nfs/dbraw/zinc/17/29/11/1070172911.db2.gz UFZUZJBCBQYLAO-UHFFFAOYSA-N 1 2 450.004 3.749 20 0 JHADLO COC(=O)c1cc(C[N@H+](Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC001307828231 1070202478 /nfs/dbraw/zinc/20/24/78/1070202478.db2.gz YRWOZMJSHIFIMP-WOJBJXKFSA-N 1 2 460.596 3.826 20 0 JHADLO COC(=O)c1cc(C[N@@H+](Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC001307828231 1070202483 /nfs/dbraw/zinc/20/24/83/1070202483.db2.gz YRWOZMJSHIFIMP-WOJBJXKFSA-N 1 2 460.596 3.826 20 0 JHADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1F ZINC001307827828 1070202522 /nfs/dbraw/zinc/20/25/22/1070202522.db2.gz VJJWSKKMLXXBOX-FGZHOGPDSA-N 1 2 457.546 3.555 20 0 JHADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1F ZINC001307827828 1070202530 /nfs/dbraw/zinc/20/25/30/1070202530.db2.gz VJJWSKKMLXXBOX-FGZHOGPDSA-N 1 2 457.546 3.555 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001307854569 1070212131 /nfs/dbraw/zinc/21/21/31/1070212131.db2.gz IMKIXOABXQAXBW-MSOLQXFVSA-N 1 2 450.649 3.613 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001307859928 1070214078 /nfs/dbraw/zinc/21/40/78/1070214078.db2.gz HNICOEYVYDHEOB-OAUYIBNBSA-N 1 2 467.310 3.943 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001307859928 1070214087 /nfs/dbraw/zinc/21/40/87/1070214087.db2.gz HNICOEYVYDHEOB-OAUYIBNBSA-N 1 2 467.310 3.943 20 0 JHADLO CC[C@@H]1[C@@H](NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CCN1C(=O)OC(C)(C)C ZINC001313031005 1070227141 /nfs/dbraw/zinc/22/71/41/1070227141.db2.gz ZIGBYALGGVYOSB-LEWJYISDSA-N 1 2 460.619 3.619 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001313068625 1070239762 /nfs/dbraw/zinc/23/97/62/1070239762.db2.gz XSQVDUZSWQIMCJ-ACRUOGEOSA-N 1 2 453.587 3.887 20 0 JHADLO C[C@@H]1CN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001313068280 1070239955 /nfs/dbraw/zinc/23/99/55/1070239955.db2.gz VZNLEMCIBLFYGT-HMXCVIKNSA-N 1 2 455.603 3.896 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001313068626 1070239984 /nfs/dbraw/zinc/23/99/84/1070239984.db2.gz XSQVDUZSWQIMCJ-HBMCJLEFSA-N 1 2 453.587 3.887 20 0 JHADLO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001307927930 1070246508 /nfs/dbraw/zinc/24/65/08/1070246508.db2.gz VVBWBRWFNGGUHN-XMSQKQJNSA-N 1 2 453.539 3.520 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001307927930 1070246522 /nfs/dbraw/zinc/24/65/22/1070246522.db2.gz VVBWBRWFNGGUHN-XMSQKQJNSA-N 1 2 453.539 3.520 20 0 JHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001307925124 1070245127 /nfs/dbraw/zinc/24/51/27/1070245127.db2.gz MVAQTDCVZYIHRX-HNNXBMFYSA-N 1 2 450.490 3.960 20 0 JHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001307925124 1070245136 /nfs/dbraw/zinc/24/51/36/1070245136.db2.gz MVAQTDCVZYIHRX-HNNXBMFYSA-N 1 2 450.490 3.960 20 0 JHADLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001307926179 1070245549 /nfs/dbraw/zinc/24/55/49/1070245549.db2.gz OTTUKKWFCWNJNV-QAPCUYQASA-N 1 2 474.237 3.626 20 0 JHADLO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001307926179 1070245561 /nfs/dbraw/zinc/24/55/61/1070245561.db2.gz OTTUKKWFCWNJNV-QAPCUYQASA-N 1 2 474.237 3.626 20 0 JHADLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961615 1070259643 /nfs/dbraw/zinc/25/96/43/1070259643.db2.gz GRDYYQZHBXMCOX-HOYKHHGWSA-N 1 2 456.612 3.952 20 0 JHADLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1csc(CNC(=O)c3ccccc3)n1)C2 ZINC001307961615 1070259657 /nfs/dbraw/zinc/25/96/57/1070259657.db2.gz GRDYYQZHBXMCOX-HOYKHHGWSA-N 1 2 456.612 3.952 20 0 JHADLO Cc1cc(C[NH+]2CCC(c3nc(CNC(=O)OCc4ccccc4)n[nH]3)CC2)cc(Cl)n1 ZINC001307962569 1070260160 /nfs/dbraw/zinc/26/01/60/1070260160.db2.gz TVSQYSZZGSEIFF-UHFFFAOYSA-N 1 2 454.962 3.968 20 0 JHADLO NC(=O)Cc1cccc2c1CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC001307995724 1070273848 /nfs/dbraw/zinc/27/38/48/1070273848.db2.gz HPZUNLBPEKMUGW-UHFFFAOYSA-N 1 2 459.390 3.749 20 0 JHADLO NC(=O)Cc1cccc2c1CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC001307995724 1070273868 /nfs/dbraw/zinc/27/38/68/1070273868.db2.gz HPZUNLBPEKMUGW-UHFFFAOYSA-N 1 2 459.390 3.749 20 0 JHADLO O[C@@H]1C[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C[C@H]1Oc1ccccc1 ZINC001307995684 1070274054 /nfs/dbraw/zinc/27/40/54/1070274054.db2.gz GTZJSYJCXZWAFH-RTBURBONSA-N 1 2 462.287 3.570 20 0 JHADLO O[C@@H]1C[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C[C@H]1Oc1ccccc1 ZINC001307995684 1070274068 /nfs/dbraw/zinc/27/40/68/1070274068.db2.gz GTZJSYJCXZWAFH-RTBURBONSA-N 1 2 462.287 3.570 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)Cc3ccccc3OC(F)(F)F)C2)cc1 ZINC001313168112 1070276685 /nfs/dbraw/zinc/27/66/85/1070276685.db2.gz MUWMMIIVBUBPPQ-HXUWFJFHSA-N 1 2 451.489 3.936 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)Cc3ccccc3OC(F)(F)F)C2)cc1 ZINC001313168112 1070276699 /nfs/dbraw/zinc/27/66/99/1070276699.db2.gz MUWMMIIVBUBPPQ-HXUWFJFHSA-N 1 2 451.489 3.936 20 0 JHADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccco1 ZINC001308017949 1070282319 /nfs/dbraw/zinc/28/23/19/1070282319.db2.gz ZZOHHMKFSYYVNQ-ZJSXRUAMSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccco1 ZINC001308017949 1070282330 /nfs/dbraw/zinc/28/23/30/1070282330.db2.gz ZZOHHMKFSYYVNQ-ZJSXRUAMSA-N 1 2 459.493 3.826 20 0 JHADLO CCOC(=O)c1sc(C2CC[NH+](CC(=O)NC(=O)Nc3ccc(C)cc3C)CC2)nc1C ZINC001308027936 1070285612 /nfs/dbraw/zinc/28/56/12/1070285612.db2.gz IUEHGXDJQIPICN-UHFFFAOYSA-N 1 2 458.584 3.773 20 0 JHADLO COCc1ccc(CNC(=O)C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC001308041991 1070290094 /nfs/dbraw/zinc/29/00/94/1070290094.db2.gz JUQQTHRYOUTLQM-UHFFFAOYSA-N 1 2 459.590 3.850 20 0 JHADLO CCOC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314437190 1070324933 /nfs/dbraw/zinc/32/49/33/1070324933.db2.gz VHUBGYMGVRCMBR-MRXNPFEDSA-N 1 2 459.497 3.861 20 0 JHADLO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC001308235769 1070344083 /nfs/dbraw/zinc/34/40/83/1070344083.db2.gz LQTFCWLLRSBMJU-UHFFFAOYSA-N 1 2 450.608 3.989 20 0 JHADLO CS(=O)(=O)c1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)cc1C(F)(F)F ZINC001308387722 1070366668 /nfs/dbraw/zinc/36/66/68/1070366668.db2.gz SABBLVISRHLCDG-UHFFFAOYSA-N 1 2 455.424 3.950 20 0 JHADLO CC[N@@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1COc2ccccc2O1 ZINC001308571777 1070392791 /nfs/dbraw/zinc/39/27/91/1070392791.db2.gz UGWBFKCYGOLKEN-UYAOXDASSA-N 1 2 457.575 3.512 20 0 JHADLO CC[N@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1COc2ccccc2O1 ZINC001308571777 1070392807 /nfs/dbraw/zinc/39/28/07/1070392807.db2.gz UGWBFKCYGOLKEN-UYAOXDASSA-N 1 2 457.575 3.512 20 0 JHADLO CCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001314480880 1070393031 /nfs/dbraw/zinc/39/30/31/1070393031.db2.gz ZFGIBRCAVHXQHC-QGZVFWFLSA-N 1 2 454.550 3.617 20 0 JHADLO Cc1ccccc1-n1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nn1 ZINC001308588710 1070396122 /nfs/dbraw/zinc/39/61/22/1070396122.db2.gz ARAAXNQTYRGUMF-UHFFFAOYSA-N 1 2 455.360 3.584 20 0 JHADLO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)o1 ZINC001308700058 1070421224 /nfs/dbraw/zinc/42/12/24/1070421224.db2.gz IZKZPDWOBMEJCM-UHFFFAOYSA-N 1 2 452.458 3.926 20 0 JHADLO CC(=O)N(c1nc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cs1)c1ccccc1 ZINC001308714436 1070423532 /nfs/dbraw/zinc/42/35/32/1070423532.db2.gz IBDZSURTGCXXJP-IBGZPJMESA-N 1 2 450.564 3.597 20 0 JHADLO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC001314499067 1070426507 /nfs/dbraw/zinc/42/65/07/1070426507.db2.gz LGQBWARRIIUVRN-QFIPXVFZSA-N 1 2 461.054 3.660 20 0 JHADLO CCOCCN1CCN(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001314499067 1070426510 /nfs/dbraw/zinc/42/65/10/1070426510.db2.gz LGQBWARRIIUVRN-QFIPXVFZSA-N 1 2 461.054 3.660 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001313465199 1070432725 /nfs/dbraw/zinc/43/27/25/1070432725.db2.gz MJZUPXDMUKLDIJ-RBBKRZOGSA-N 1 2 454.619 3.599 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC001308771721 1070435543 /nfs/dbraw/zinc/43/55/43/1070435543.db2.gz JTXRGIHIBTXDDU-MSOLQXFVSA-N 1 2 458.372 3.877 20 0 JHADLO Cn1nc(C(F)(F)F)c(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1Cl ZINC001308796937 1070439743 /nfs/dbraw/zinc/43/97/43/1070439743.db2.gz TWZBGMSXIBQRHG-UHFFFAOYSA-N 1 2 455.868 3.751 20 0 JHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922860 1070459740 /nfs/dbraw/zinc/45/97/40/1070459740.db2.gz ZOTVRZZYJKFFEH-ZIAGYGMSSA-N 1 2 459.559 3.893 20 0 JHADLO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922860 1070459749 /nfs/dbraw/zinc/45/97/49/1070459749.db2.gz ZOTVRZZYJKFFEH-ZIAGYGMSSA-N 1 2 459.559 3.893 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+]1CC=CCC1 ZINC001314512178 1070474003 /nfs/dbraw/zinc/47/40/03/1070474003.db2.gz GBVXFONVSMAADO-LJQANCHMSA-N 1 2 491.727 3.797 20 0 JHADLO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@@H+]1CC=CCC1 ZINC001314512178 1070474016 /nfs/dbraw/zinc/47/40/16/1070474016.db2.gz GBVXFONVSMAADO-LJQANCHMSA-N 1 2 491.727 3.797 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001313522975 1070593437 /nfs/dbraw/zinc/59/34/37/1070593437.db2.gz LTRQTEUNMRYDII-DNQXCXABSA-N 1 2 485.673 3.980 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001313522975 1070593451 /nfs/dbraw/zinc/59/34/51/1070593451.db2.gz LTRQTEUNMRYDII-DNQXCXABSA-N 1 2 485.673 3.980 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001313526697 1070601332 /nfs/dbraw/zinc/60/13/32/1070601332.db2.gz LPLTZJUISBFHOX-IFMALSPDSA-N 1 2 456.635 3.855 20 0 JHADLO CC[C@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309282512 1070666951 /nfs/dbraw/zinc/66/69/51/1070666951.db2.gz LVGNDAOENOZFPA-LOSJGSFVSA-N 1 2 456.608 3.581 20 0 JHADLO CC[C@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309282512 1070666955 /nfs/dbraw/zinc/66/69/55/1070666955.db2.gz LVGNDAOENOZFPA-LOSJGSFVSA-N 1 2 456.608 3.581 20 0 JHADLO CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313566217 1070681362 /nfs/dbraw/zinc/68/13/62/1070681362.db2.gz NTYZVACJZXADIS-PKTZIBPZSA-N 1 2 498.672 3.922 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309314575 1070692592 /nfs/dbraw/zinc/69/25/92/1070692592.db2.gz QACZXYSHIKGHSQ-HZPDHXFCSA-N 1 2 458.502 3.877 20 0 JHADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001309314575 1070692598 /nfs/dbraw/zinc/69/25/98/1070692598.db2.gz QACZXYSHIKGHSQ-HZPDHXFCSA-N 1 2 458.502 3.877 20 0 JHADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313577458 1070695413 /nfs/dbraw/zinc/69/54/13/1070695413.db2.gz IHIBJUNKNSDEHK-YADARESESA-N 1 2 477.650 4.000 20 0 JHADLO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001314623573 1070706107 /nfs/dbraw/zinc/70/61/07/1070706107.db2.gz GAAHSAZPFYHXIQ-IBGZPJMESA-N 1 2 467.618 3.912 20 0 JHADLO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccsc1)[NH+](C)C)C(C)C ZINC001313584678 1070708961 /nfs/dbraw/zinc/70/89/61/1070708961.db2.gz MHTKLUDOQBNLFJ-FQEVSTJZSA-N 1 2 461.657 3.948 20 0 JHADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H](C)C1CCC1 ZINC001313605731 1070729831 /nfs/dbraw/zinc/72/98/31/1070729831.db2.gz TWYJQZOVNQEBPA-UCNVEGJOSA-N 1 2 477.650 3.637 20 0 JHADLO CCN(c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)C(C)C ZINC001313620114 1070746292 /nfs/dbraw/zinc/74/62/92/1070746292.db2.gz WDLFAAADQRRQJX-UHFFFAOYSA-N 1 2 493.494 3.880 20 0 JHADLO CCN(c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1)C(C)C ZINC001313620114 1070746304 /nfs/dbraw/zinc/74/63/04/1070746304.db2.gz WDLFAAADQRRQJX-UHFFFAOYSA-N 1 2 493.494 3.880 20 0 JHADLO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)c1c(F)cccc1F ZINC001314650348 1070758633 /nfs/dbraw/zinc/75/86/33/1070758633.db2.gz HTCRMAQGODXIEP-VAMGGRTRSA-N 1 2 474.600 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314651602 1070761436 /nfs/dbraw/zinc/76/14/36/1070761436.db2.gz DFANNKZEWVTQFO-FXAWDEMLSA-N 1 2 474.600 3.748 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOC(C)(C)C)c[nH+]1 ZINC001314658803 1070779917 /nfs/dbraw/zinc/77/99/17/1070779917.db2.gz KNEZBJMNHXHAEA-TZIWHRDSSA-N 1 2 458.651 3.957 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C3CCCC3)n1CCCNC(=O)OC(C)(C)C)C2 ZINC001314663495 1070792568 /nfs/dbraw/zinc/79/25/68/1070792568.db2.gz FWEVQRAFQLMAOS-UHFFFAOYSA-N 1 2 469.634 3.874 20 0 JHADLO CN(C)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC001314661509 1070786403 /nfs/dbraw/zinc/78/64/03/1070786403.db2.gz ODPQCMFKCLVELT-OAQYLSRUSA-N 1 2 452.578 3.769 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2c(C)coc2C)CC1 ZINC001313648391 1070815659 /nfs/dbraw/zinc/81/56/59/1070815659.db2.gz ZAPHVNOPATUTFA-UHFFFAOYSA-N 1 2 485.032 3.847 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)CC1 ZINC001313648143 1070816590 /nfs/dbraw/zinc/81/65/90/1070816590.db2.gz MATBBNZYJOBIKN-UHFFFAOYSA-N 1 2 491.423 3.884 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001313649942 1070820940 /nfs/dbraw/zinc/82/09/40/1070820940.db2.gz CIHBVNDNYXFFRR-UHFFFAOYSA-N 1 2 496.685 3.554 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCC(C)(F)F ZINC001314712231 1070896423 /nfs/dbraw/zinc/89/64/23/1070896423.db2.gz IOJMZMJCIXJBFH-SFHVURJKSA-N 1 2 464.586 3.900 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F ZINC001314712553 1070897867 /nfs/dbraw/zinc/89/78/67/1070897867.db2.gz QSRMDNGSBMQLSJ-CVEARBPZSA-N 1 2 491.605 3.606 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1 ZINC001314712606 1070898230 /nfs/dbraw/zinc/89/82/30/1070898230.db2.gz RXEJFLVEVGOKNW-CYFREDJKSA-N 1 2 461.676 3.599 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1)c1ccco1 ZINC001313675712 1070917434 /nfs/dbraw/zinc/91/74/34/1070917434.db2.gz APEXSAWAPFEZDP-ICSRJNTNSA-N 1 2 491.683 3.863 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(F)c2)c[nH+]1 ZINC001313676377 1070921262 /nfs/dbraw/zinc/92/12/62/1070921262.db2.gz WTVIMSBSMLSGOC-UHFFFAOYSA-N 1 2 471.556 3.620 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC)c(O)c2)c[nH+]1 ZINC001313677045 1070923858 /nfs/dbraw/zinc/92/38/58/1070923858.db2.gz JLOBLUPNSYFTGB-UHFFFAOYSA-N 1 2 475.597 3.924 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001313677229 1070924415 /nfs/dbraw/zinc/92/44/15/1070924415.db2.gz LYZBDGAFOAFKCV-QFIPXVFZSA-N 1 2 496.681 3.947 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)c[nH+]1 ZINC001313677276 1070924583 /nfs/dbraw/zinc/92/45/83/1070924583.db2.gz NMIUHKOOQJCTJB-JOCHJYFZSA-N 1 2 482.032 3.993 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N(C)[C@@H]3CCSC3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313678881 1070932129 /nfs/dbraw/zinc/93/21/29/1070932129.db2.gz MLGGHSAWMAXJAZ-HYBUGGRVSA-N 1 2 474.675 3.550 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(F)cc2F)c[nH+]1 ZINC001313680474 1070938937 /nfs/dbraw/zinc/93/89/37/1070938937.db2.gz ZYITXWHTFYZYPA-UHFFFAOYSA-N 1 2 483.567 3.605 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)c[nH+]1 ZINC001313680544 1070939140 /nfs/dbraw/zinc/93/91/40/1070939140.db2.gz VIKGXAIUHSINFP-OAQYLSRUSA-N 1 2 458.651 3.786 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001313679339 1070934575 /nfs/dbraw/zinc/93/45/75/1070934575.db2.gz IPFJLVKYEHNUHI-IBGZPJMESA-N 1 2 493.578 3.730 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)c[nH+]1 ZINC001313680762 1070939834 /nfs/dbraw/zinc/93/98/34/1070939834.db2.gz ONPTVLMWOGYZFI-QFIPXVFZSA-N 1 2 466.634 3.796 20 0 JHADLO CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001313694799 1070958138 /nfs/dbraw/zinc/95/81/38/1070958138.db2.gz BMBUNYASPPVBJX-UHFFFAOYSA-N 1 2 468.627 3.705 20 0 JHADLO CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)ccc21 ZINC001309798287 1070973011 /nfs/dbraw/zinc/97/30/11/1070973011.db2.gz XTHIKCIIHUSBHK-JOCHJYFZSA-N 1 2 452.580 3.637 20 0 JHADLO CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001309972623 1071033619 /nfs/dbraw/zinc/03/36/19/1071033619.db2.gz PDBLIPHTLTUYSE-UHFFFAOYSA-N 1 2 459.616 3.537 20 0 JHADLO CCN(Cc1ccc(OC)cc1OC)c1nnc(C)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001313737708 1071060832 /nfs/dbraw/zinc/06/08/32/1071060832.db2.gz LSIDVHKASIPRBF-NRFANRHFSA-N 1 2 471.627 3.765 20 0 JHADLO CCN(Cc1ccc(OC)cc1OC)c1nnc(C)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001313737709 1071061202 /nfs/dbraw/zinc/06/12/02/1071061202.db2.gz LSIDVHKASIPRBF-OAQYLSRUSA-N 1 2 471.627 3.765 20 0 JHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033771 1071074063 /nfs/dbraw/zinc/07/40/63/1071074063.db2.gz GDNRXGJLQLBJKI-WIYYLYMNSA-N 1 2 455.628 3.730 20 0 JHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)n2)C1 ZINC001310033771 1071074075 /nfs/dbraw/zinc/07/40/75/1071074075.db2.gz GDNRXGJLQLBJKI-WIYYLYMNSA-N 1 2 455.628 3.730 20 0 JHADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001310085290 1071109018 /nfs/dbraw/zinc/10/90/18/1071109018.db2.gz VQRFJHQEKLOEDN-INIZCTEOSA-N 1 2 453.406 3.729 20 0 JHADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001310085290 1071109034 /nfs/dbraw/zinc/10/90/34/1071109034.db2.gz VQRFJHQEKLOEDN-INIZCTEOSA-N 1 2 453.406 3.729 20 0 JHADLO COCC(COC)[NH+]1CCN(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)CC1 ZINC001310087961 1071111650 /nfs/dbraw/zinc/11/16/50/1071111650.db2.gz WCXRLMIVNPMOIB-UHFFFAOYSA-N 1 2 453.008 3.507 20 0 JHADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001310138392 1071147145 /nfs/dbraw/zinc/14/71/45/1071147145.db2.gz CPIZXIXLEQDDER-JOCBIADPSA-N 1 2 457.493 3.501 20 0 JHADLO CCN(CCc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c[nH+]ccc1OC ZINC001313790026 1071182079 /nfs/dbraw/zinc/18/20/79/1071182079.db2.gz WCFRJKMWVMHUSK-UHFFFAOYSA-N 1 2 497.646 3.931 20 0 JHADLO COC(=O)CCCOc1ccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC001310290515 1071273991 /nfs/dbraw/zinc/27/39/91/1071273991.db2.gz KNPGPXRRUUDFPK-IBGZPJMESA-N 1 2 455.555 3.734 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCS1 ZINC001314870610 1071281903 /nfs/dbraw/zinc/28/19/03/1071281903.db2.gz SBHVHHPIWJFEQE-OAQYLSRUSA-N 1 2 498.466 3.901 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CCCS1 ZINC001314870931 1071282654 /nfs/dbraw/zinc/28/26/54/1071282654.db2.gz XUQQWZJCRBXAKQ-NRFANRHFSA-N 1 2 480.476 3.762 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCCO ZINC001314870962 1071282700 /nfs/dbraw/zinc/28/27/00/1071282700.db2.gz YGMHPCSMPRZQJY-UHFFFAOYSA-N 1 2 464.035 3.744 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 ZINC001314871103 1071283520 /nfs/dbraw/zinc/28/35/20/1071283520.db2.gz MBNZZLGQEZAIAQ-FCHUYYIVSA-N 1 2 488.677 3.517 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314874563 1071291430 /nfs/dbraw/zinc/29/14/30/1071291430.db2.gz ZBSHVKXVXPPCKZ-UHFFFAOYSA-N 1 2 469.552 3.776 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1CCc1csc(C(C)(C)C)n1 ZINC001314873155 1071289928 /nfs/dbraw/zinc/28/99/28/1071289928.db2.gz ABHPXSPUMXLSNV-UHFFFAOYSA-N 1 2 460.692 3.776 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1CCOC1CCCCCC1 ZINC001314873170 1071289947 /nfs/dbraw/zinc/28/99/47/1071289947.db2.gz ASNCBFABFVBDRB-UHFFFAOYSA-N 1 2 477.600 3.655 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 ZINC001314874143 1071291675 /nfs/dbraw/zinc/29/16/75/1071291675.db2.gz NWWKLZRSZDKQRM-VWLOTQADSA-N 1 2 492.064 3.610 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(OCC4CCOCC4)cc3)C2)c1 ZINC001310326398 1071309321 /nfs/dbraw/zinc/30/93/21/1071309321.db2.gz SXAOERXSIPADPL-RUZDIDTESA-N 1 2 453.583 3.823 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(OCC4CCOCC4)cc3)C2)c1 ZINC001310326398 1071309331 /nfs/dbraw/zinc/30/93/31/1071309331.db2.gz SXAOERXSIPADPL-RUZDIDTESA-N 1 2 453.583 3.823 20 0 JHADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001310354998 1071333667 /nfs/dbraw/zinc/33/36/67/1071333667.db2.gz ILDFOCBSBFXGGX-QHCPKHFHSA-N 1 2 453.974 3.974 20 0 JHADLO CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC001310357111 1071335360 /nfs/dbraw/zinc/33/53/60/1071335360.db2.gz XFODVXLBRPBFAP-JOCHJYFZSA-N 1 2 454.962 3.517 20 0 JHADLO CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC001310357113 1071335450 /nfs/dbraw/zinc/33/54/50/1071335450.db2.gz XFODVXLBRPBFAP-QFIPXVFZSA-N 1 2 454.962 3.517 20 0 JHADLO CCOC1CC(CNC(=O)Nc2cccc(COc3ccccc3)c2C)([NH+]2CCOCC2)C1 ZINC001310397108 1071367215 /nfs/dbraw/zinc/36/72/15/1071367215.db2.gz ZVADWEOYMFHWHM-UHFFFAOYSA-N 1 2 453.583 3.965 20 0 JHADLO CN1CC[N@H+](CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001314931382 1071375514 /nfs/dbraw/zinc/37/55/14/1071375514.db2.gz SFHLGZGUJVCROC-UHFFFAOYSA-N 1 2 498.569 3.801 20 0 JHADLO CN1CC[N@@H+](CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001314931382 1071375528 /nfs/dbraw/zinc/37/55/28/1071375528.db2.gz SFHLGZGUJVCROC-UHFFFAOYSA-N 1 2 498.569 3.801 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001310416672 1071378197 /nfs/dbraw/zinc/37/81/97/1071378197.db2.gz AVKUIAPUPBGXMJ-INIZCTEOSA-N 1 2 455.449 3.550 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@H](C)C1 ZINC001310434292 1071388027 /nfs/dbraw/zinc/38/80/27/1071388027.db2.gz YQDJOHOCDRNKLC-MRXNPFEDSA-N 1 2 452.477 3.548 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@H](C)C1 ZINC001310434292 1071388044 /nfs/dbraw/zinc/38/80/44/1071388044.db2.gz YQDJOHOCDRNKLC-MRXNPFEDSA-N 1 2 452.477 3.548 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001313872911 1071423020 /nfs/dbraw/zinc/42/30/20/1071423020.db2.gz YFQPSQLZKGEIQZ-SFTDATJTSA-N 1 2 473.687 3.860 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001313872911 1071423028 /nfs/dbraw/zinc/42/30/28/1071423028.db2.gz YFQPSQLZKGEIQZ-SFTDATJTSA-N 1 2 473.687 3.860 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926184 1071575459 /nfs/dbraw/zinc/57/54/59/1071575459.db2.gz AZXHDZPBHZQLAF-GOTSBHOMSA-N 1 2 486.730 3.832 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927857 1071581925 /nfs/dbraw/zinc/58/19/25/1071581925.db2.gz PGFSDFXJMGIHIO-QFIPXVFZSA-N 1 2 456.679 3.982 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927803 1071582068 /nfs/dbraw/zinc/58/20/68/1071582068.db2.gz NKQPVTNGAYJNGG-XZOQPEGZSA-N 1 2 484.689 3.540 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313929324 1071586619 /nfs/dbraw/zinc/58/66/19/1071586619.db2.gz YYTKTVDVYMMPCZ-ZLNRFVROSA-N 1 2 486.730 3.830 20 0 JHADLO CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313929074 1071585877 /nfs/dbraw/zinc/58/58/77/1071585877.db2.gz XHKXNWRBBUYOMJ-HXUWFJFHSA-N 1 2 458.626 3.791 20 0 JHADLO CCOC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314015946 1071758179 /nfs/dbraw/zinc/75/81/79/1071758179.db2.gz DCXZJTZXGPNRHY-VQIMIIECSA-N 1 2 464.561 3.651 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314045754 1071861654 /nfs/dbraw/zinc/86/16/54/1071861654.db2.gz MRINHTVKHWILIQ-QHCPKHFHSA-N 1 2 491.640 3.678 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305976150 1068314831 /nfs/dbraw/zinc/31/48/31/1068314831.db2.gz CGXPAPAPKOLEJB-SFHVURJKSA-N 1 2 470.643 3.542 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305977258 1068317544 /nfs/dbraw/zinc/31/75/44/1068317544.db2.gz YDVKFIYNKAYNBK-UHFFFAOYSA-N 1 2 490.530 3.698 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001306046584 1068468544 /nfs/dbraw/zinc/46/85/44/1068468544.db2.gz SECIUJCQZGKOBV-QFIPXVFZSA-N 1 2 485.702 3.879 20 0 JHADLO CCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306060655 1068499373 /nfs/dbraw/zinc/49/93/73/1068499373.db2.gz ANSWAPNOMQNJIQ-WBVHZDCISA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306060655 1068499378 /nfs/dbraw/zinc/49/93/78/1068499378.db2.gz ANSWAPNOMQNJIQ-WBVHZDCISA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001306123480 1068531573 /nfs/dbraw/zinc/53/15/73/1068531573.db2.gz XQXMAKXMLHWICX-KNQAVFIVSA-N 1 2 479.629 3.873 20 0 JHADLO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001306144920 1068547591 /nfs/dbraw/zinc/54/75/91/1068547591.db2.gz TYWSWFJSCRBCFB-MAUKXSAKSA-N 1 2 464.561 3.525 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001306197585 1068589813 /nfs/dbraw/zinc/58/98/13/1068589813.db2.gz OIUZDHMRDGGLPX-UHFFFAOYSA-N 1 2 467.593 3.779 20 0 JHADLO CCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306227483 1068612659 /nfs/dbraw/zinc/61/26/59/1068612659.db2.gz RVWVWAWJPSDKIF-RLLQIKCJSA-N 1 2 451.537 3.857 20 0 JHADLO CC[C@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306348150 1068785208 /nfs/dbraw/zinc/78/52/08/1068785208.db2.gz SQUICFDMGATHKT-OFVILXPXSA-N 1 2 456.635 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306410039 1068889446 /nfs/dbraw/zinc/88/94/46/1068889446.db2.gz QOXDUVNSLGBRSK-KRWDZBQOSA-N 1 2 489.393 3.971 20 0 JHADLO CC[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306422699 1068916031 /nfs/dbraw/zinc/91/60/31/1068916031.db2.gz HXIYCPBOQFHAQV-ICSRJNTNSA-N 1 2 469.634 3.794 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001306454728 1068977206 /nfs/dbraw/zinc/97/72/06/1068977206.db2.gz WCQQYONKYUJAOP-RBBKRZOGSA-N 1 2 464.614 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c[nH+]ccc2OC)C[C@H](C)O1 ZINC001306456456 1068981872 /nfs/dbraw/zinc/98/18/72/1068981872.db2.gz FBDYHNYBHLNJEN-IHPCNDPISA-N 1 2 486.617 3.806 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306458920 1068991988 /nfs/dbraw/zinc/99/19/88/1068991988.db2.gz TWZFYVVZDQHWGQ-YLJYHZDGSA-N 1 2 454.550 3.509 20 0 JHADLO CC/C=C/Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001306464746 1069001408 /nfs/dbraw/zinc/00/14/08/1069001408.db2.gz NQSZKSNYNPLUKJ-BQYQJAHWSA-N 1 2 489.462 3.664 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306471092 1069014382 /nfs/dbraw/zinc/01/43/82/1069014382.db2.gz PSTCTISVJIQFBX-BQYQJAHWSA-N 1 2 466.586 3.937 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306471093 1069014787 /nfs/dbraw/zinc/01/47/87/1069014787.db2.gz PSTCTISVJIQFBX-FPLPWBNLSA-N 1 2 466.586 3.937 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306507228 1069090584 /nfs/dbraw/zinc/09/05/84/1069090584.db2.gz QKAHZPRJJQKZRV-LJQANCHMSA-N 1 2 497.594 3.542 20 0 JHADLO COc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(I)c1 ZINC001310685577 1069110156 /nfs/dbraw/zinc/11/01/56/1069110156.db2.gz VMNIZXCPSYSZBW-ZDUSSCGKSA-N 1 2 454.312 3.520 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccc2nccnc2c1Br ZINC001310715791 1069130159 /nfs/dbraw/zinc/13/01/59/1069130159.db2.gz AQPKGFROJJBYGF-UHFFFAOYSA-N 1 2 459.373 3.662 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306518183 1069131360 /nfs/dbraw/zinc/13/13/60/1069131360.db2.gz CMEUDFKQIMGTCW-GGAORHGYSA-N 1 2 468.646 3.989 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(OC)c1F ZINC001310754611 1069151835 /nfs/dbraw/zinc/15/18/35/1069151835.db2.gz YYCHRBAVDIUKIJ-WMZOPIPTSA-N 1 2 455.889 3.829 20 0 JHADLO COc1c(F)cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(OC)c1F ZINC001310754611 1069151845 /nfs/dbraw/zinc/15/18/45/1069151845.db2.gz YYCHRBAVDIUKIJ-WMZOPIPTSA-N 1 2 455.889 3.829 20 0 JHADLO Cc1csc([C@@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC001310815317 1069175438 /nfs/dbraw/zinc/17/54/38/1069175438.db2.gz CYRZQWZRWRJHLU-FUHWJXTLSA-N 1 2 456.534 3.987 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1F ZINC001310833277 1069184437 /nfs/dbraw/zinc/18/44/37/1069184437.db2.gz PRGQJHLZQKXTRT-QFBILLFUSA-N 1 2 453.873 3.598 20 0 JHADLO COC(=O)c1c(F)ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1F ZINC001310833277 1069184442 /nfs/dbraw/zinc/18/44/42/1069184442.db2.gz PRGQJHLZQKXTRT-QFBILLFUSA-N 1 2 453.873 3.598 20 0 JHADLO CCOc1ccccc1[C@@](N)(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC001306542131 1069191746 /nfs/dbraw/zinc/19/17/46/1069191746.db2.gz JIJVKRRIJDGORX-KSFYIVLOSA-N 1 2 451.489 3.834 20 0 JHADLO CN(Cc1ccoc1)C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001310846897 1069192415 /nfs/dbraw/zinc/19/24/15/1069192415.db2.gz UTXBRIKTVFVIJP-UHFFFAOYSA-N 1 2 458.559 3.875 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306566621 1069234005 /nfs/dbraw/zinc/23/40/05/1069234005.db2.gz HSOXKZKRJFAHLM-IBGZPJMESA-N 1 2 480.613 3.867 20 0 JHADLO COc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991890 1069242843 /nfs/dbraw/zinc/24/28/43/1069242843.db2.gz PUDNSTPIQIGIJX-NVXWUHKLSA-N 1 2 458.868 3.956 20 0 JHADLO COc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991890 1069242855 /nfs/dbraw/zinc/24/28/55/1069242855.db2.gz PUDNSTPIQIGIJX-NVXWUHKLSA-N 1 2 458.868 3.956 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001311244548 1069306615 /nfs/dbraw/zinc/30/66/15/1069306615.db2.gz KKUBIBAIZWWONV-MSOLQXFVSA-N 1 2 453.768 3.999 20 0 JHADLO Cc1c(Br)cncc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001311244548 1069306627 /nfs/dbraw/zinc/30/66/27/1069306627.db2.gz KKUBIBAIZWWONV-MSOLQXFVSA-N 1 2 453.768 3.999 20 0 JHADLO Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164416628 718889429 /nfs/dbraw/zinc/88/94/29/718889429.db2.gz FBAZZFLWHLYWEF-GFCCVEGCSA-N 1 2 458.694 3.971 20 0 JHADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421382 718890990 /nfs/dbraw/zinc/89/09/90/718890990.db2.gz XOVMLVRZGVSGDB-LBPRGKRZSA-N 1 2 474.693 3.585 20 0 JHADLO COc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)n1 ZINC001164421792 718891279 /nfs/dbraw/zinc/89/12/79/718891279.db2.gz YGNIZGOGBOVKPW-NSHDSACASA-N 1 2 474.693 3.672 20 0 JHADLO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)CC1 ZINC001164672735 719521238 /nfs/dbraw/zinc/52/12/38/719521238.db2.gz NBYYYIUTEMNWFT-UHFFFAOYSA-N 1 2 466.601 3.964 20 0 JHADLO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)CC1 ZINC001164672735 719521251 /nfs/dbraw/zinc/52/12/51/719521251.db2.gz NBYYYIUTEMNWFT-UHFFFAOYSA-N 1 2 466.601 3.964 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cc1 ZINC001164673942 719526209 /nfs/dbraw/zinc/52/62/09/719526209.db2.gz UOMOMQGFVWXUHW-QFIPXVFZSA-N 1 2 488.913 3.946 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cc1 ZINC001164673942 719526216 /nfs/dbraw/zinc/52/62/16/719526216.db2.gz UOMOMQGFVWXUHW-QFIPXVFZSA-N 1 2 488.913 3.946 20 0 JHADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)n1 ZINC001164679197 719531976 /nfs/dbraw/zinc/53/19/76/719531976.db2.gz VBOIVDAXCUOAHZ-UHFFFAOYSA-N 1 2 469.344 3.581 20 0 JHADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)n1 ZINC001164679197 719531986 /nfs/dbraw/zinc/53/19/86/719531986.db2.gz VBOIVDAXCUOAHZ-UHFFFAOYSA-N 1 2 469.344 3.581 20 0 JHADLO Cc1cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc(Cl)n1 ZINC001164699646 719830194 /nfs/dbraw/zinc/83/01/94/719830194.db2.gz YUIPVQQXXJSLDW-UHFFFAOYSA-N 1 2 472.927 3.888 20 0 JHADLO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164697067 719878404 /nfs/dbraw/zinc/87/84/04/719878404.db2.gz BNSIEJYZFWCZJU-HOYKHHGWSA-N 1 2 474.989 3.717 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164820603 720369471 /nfs/dbraw/zinc/36/94/71/720369471.db2.gz QAZCFFUZGPWYNR-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164820603 720369477 /nfs/dbraw/zinc/36/94/77/720369477.db2.gz QAZCFFUZGPWYNR-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5cccs5)n4)CC3)C2=O)cs1 ZINC001164825003 720381193 /nfs/dbraw/zinc/38/11/93/720381193.db2.gz SZBNZYTVGKNRJT-UHFFFAOYSA-N 1 2 468.652 3.592 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5cccs5)n4)CC3)C2=O)cs1 ZINC001164825003 720381202 /nfs/dbraw/zinc/38/12/02/720381202.db2.gz SZBNZYTVGKNRJT-UHFFFAOYSA-N 1 2 468.652 3.592 20 0 JHADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829239 720398893 /nfs/dbraw/zinc/39/88/93/720398893.db2.gz MBHBUIXJNDSVHP-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164832757 720476403 /nfs/dbraw/zinc/47/64/03/720476403.db2.gz WUXXLGAQIHSARR-FQEVSTJZSA-N 1 2 497.043 3.600 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164859447 720895884 /nfs/dbraw/zinc/89/58/84/720895884.db2.gz REWAGYCMMADMED-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164859323 720896757 /nfs/dbraw/zinc/89/67/57/720896757.db2.gz OXCVZPOFJVSMCD-UHFFFAOYSA-N 1 2 474.943 3.761 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@@H]54)c3C2)cc1 ZINC001164872011 721246492 /nfs/dbraw/zinc/24/64/92/721246492.db2.gz CKQGTDXZOVYTAX-RZFJZAQRSA-N 1 2 457.578 3.635 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@@H]54)c3C2)cc1 ZINC001164872011 721246495 /nfs/dbraw/zinc/24/64/95/721246495.db2.gz CKQGTDXZOVYTAX-RZFJZAQRSA-N 1 2 457.578 3.635 20 0 JHADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001164764608 721272221 /nfs/dbraw/zinc/27/22/21/721272221.db2.gz HMZBIEZBTBELJX-ZDUSSCGKSA-N 1 2 452.918 3.704 20 0 JHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770711 721276406 /nfs/dbraw/zinc/27/64/06/721276406.db2.gz XHGOLXJZNYCGLP-HNNXBMFYSA-N 1 2 478.887 3.679 20 0 JHADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912026 721779077 /nfs/dbraw/zinc/77/90/77/721779077.db2.gz JIIYSASUKKSBQN-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912026 721779081 /nfs/dbraw/zinc/77/90/81/721779081.db2.gz JIIYSASUKKSBQN-QHCPKHFHSA-N 1 2 474.939 3.936 20 0 JHADLO c1ccc(-c2nc(-c3ccccc3)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914034 721781141 /nfs/dbraw/zinc/78/11/41/721781141.db2.gz AAOGDQCEIYWWOY-GDLZYMKVSA-N 1 2 494.599 3.708 20 0 JHADLO c1ccc(-c2nc(-c3ccccc3)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914034 721781144 /nfs/dbraw/zinc/78/11/44/721781144.db2.gz AAOGDQCEIYWWOY-GDLZYMKVSA-N 1 2 494.599 3.708 20 0 JHADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913515 721800636 /nfs/dbraw/zinc/80/06/36/721800636.db2.gz DZZORSNDORZQHM-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913515 721800638 /nfs/dbraw/zinc/80/06/38/721800638.db2.gz DZZORSNDORZQHM-RUZDIDTESA-N 1 2 481.984 3.734 20 0 JHADLO FC1(F)CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164914378 721802236 /nfs/dbraw/zinc/80/22/36/721802236.db2.gz MPZJTIOMODNMDJ-VWLOTQADSA-N 1 2 477.563 3.567 20 0 JHADLO FC1(F)CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164914378 721802237 /nfs/dbraw/zinc/80/22/37/721802237.db2.gz MPZJTIOMODNMDJ-VWLOTQADSA-N 1 2 477.563 3.567 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)CC1 ZINC001164916687 721813890 /nfs/dbraw/zinc/81/38/90/721813890.db2.gz FYLBYAHZJQVTTK-UHFFFAOYSA-N 1 2 450.896 3.913 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)CC1 ZINC001164916687 721813891 /nfs/dbraw/zinc/81/38/91/721813891.db2.gz FYLBYAHZJQVTTK-UHFFFAOYSA-N 1 2 450.896 3.913 20 0 JHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164918358 721818808 /nfs/dbraw/zinc/81/88/08/721818808.db2.gz POAAHJINSCIIGP-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164918358 721818812 /nfs/dbraw/zinc/81/88/12/721818812.db2.gz POAAHJINSCIIGP-UHFFFAOYSA-N 1 2 459.932 3.683 20 0 JHADLO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164918228 721821876 /nfs/dbraw/zinc/82/18/76/721821876.db2.gz DJIXQJCSGNVYGS-UHFFFAOYSA-N 1 2 454.962 3.877 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164945902 721972861 /nfs/dbraw/zinc/97/28/61/721972861.db2.gz UNDSEGPNZDLOQH-UHFFFAOYSA-N 1 2 456.377 3.908 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164945902 721972863 /nfs/dbraw/zinc/97/28/63/721972863.db2.gz UNDSEGPNZDLOQH-UHFFFAOYSA-N 1 2 456.377 3.908 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164951501 721980850 /nfs/dbraw/zinc/98/08/50/721980850.db2.gz ZYAPCKDACUYZON-UHFFFAOYSA-N 1 2 456.377 3.908 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164951501 721980851 /nfs/dbraw/zinc/98/08/51/721980851.db2.gz ZYAPCKDACUYZON-UHFFFAOYSA-N 1 2 456.377 3.908 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164951254 721981281 /nfs/dbraw/zinc/98/12/81/721981281.db2.gz YQCSGELUUVPHFK-UHFFFAOYSA-N 1 2 463.969 3.893 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164951254 721981283 /nfs/dbraw/zinc/98/12/83/721981283.db2.gz YQCSGELUUVPHFK-UHFFFAOYSA-N 1 2 463.969 3.893 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)Cc3cc(C)nn3C)c2c1C ZINC001165051468 721989971 /nfs/dbraw/zinc/98/99/71/721989971.db2.gz TZGJQXPWFGRFBF-UHFFFAOYSA-N 1 2 456.616 3.841 20 0 JHADLO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053901 722008873 /nfs/dbraw/zinc/00/88/73/722008873.db2.gz OUKWEIXJENRHJT-UHFFFAOYSA-N 1 2 487.938 3.792 20 0 JHADLO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@H]32)cs1 ZINC001164983575 722177159 /nfs/dbraw/zinc/17/71/59/722177159.db2.gz BMDYQCADGUJDBZ-FTJBHMTQSA-N 1 2 490.677 3.670 20 0 JHADLO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@H]32)cs1 ZINC001164983575 722177163 /nfs/dbraw/zinc/17/71/63/722177163.db2.gz BMDYQCADGUJDBZ-FTJBHMTQSA-N 1 2 490.677 3.670 20 0 JHADLO COC(=O)C[C@H](c1cc[nH+]c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1)C1CC1 ZINC001164991455 722184854 /nfs/dbraw/zinc/18/48/54/722184854.db2.gz UKQRZDIBNYMUJT-ZRBLBEILSA-N 1 2 470.639 3.773 20 0 JHADLO COC(=O)C[C@H](c1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1)C1CC1 ZINC001164991454 722184884 /nfs/dbraw/zinc/18/48/84/722184884.db2.gz UKQRZDIBNYMUJT-YTFSRNRJSA-N 1 2 470.639 3.773 20 0 JHADLO COc1cc2[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)ccc2c(OC)c1 ZINC001164989190 722186399 /nfs/dbraw/zinc/18/63/99/722186399.db2.gz OTPGWKXBPQPVJQ-FGZHOGPDSA-N 1 2 454.596 3.887 20 0 JHADLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(I)c(Cl)c2)n1 ZINC001311261620 1069311307 /nfs/dbraw/zinc/31/13/07/1069311307.db2.gz LRRHSVIGXCLQEJ-UHFFFAOYSA-N 1 2 450.733 3.784 20 0 JHADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC001311283690 1069316246 /nfs/dbraw/zinc/31/62/46/1069316246.db2.gz CIFGTOPJIXIOBB-ICSRJNTNSA-N 1 2 454.493 3.851 20 0 JHADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346331 1069332637 /nfs/dbraw/zinc/33/26/37/1069332637.db2.gz YZWQSHNQTGKEMF-NZQKXSOJSA-N 1 2 450.583 3.718 20 0 JHADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001311346331 1069332651 /nfs/dbraw/zinc/33/26/51/1069332651.db2.gz YZWQSHNQTGKEMF-NZQKXSOJSA-N 1 2 450.583 3.718 20 0 JHADLO CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306641769 1069352999 /nfs/dbraw/zinc/35/29/99/1069352999.db2.gz PFPVANMHCPVLSH-IBGZPJMESA-N 1 2 459.038 3.922 20 0 JHADLO CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001306644231 1069354969 /nfs/dbraw/zinc/35/49/69/1069354969.db2.gz HOBBEZHJEHYVCL-INIZCTEOSA-N 1 2 463.001 3.717 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001311449188 1069384118 /nfs/dbraw/zinc/38/41/18/1069384118.db2.gz VPUGIOIWCKLWAD-OFNKIYASSA-N 1 2 450.514 3.773 20 0 JHADLO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306728834 1069476613 /nfs/dbraw/zinc/47/66/13/1069476613.db2.gz FHTXUVFIPNMUNW-UNMCSNQZSA-N 1 2 467.662 3.795 20 0 JHADLO O=C(NC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1)OCc1ccccc1 ZINC001311682556 1069502279 /nfs/dbraw/zinc/50/22/79/1069502279.db2.gz PJRWCCBBXCDUER-UHFFFAOYSA-N 1 2 451.502 3.612 20 0 JHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001311698645 1069508940 /nfs/dbraw/zinc/50/89/40/1069508940.db2.gz XNBIWBXPEFWWCZ-KRWDZBQOSA-N 1 2 457.456 3.754 20 0 JHADLO COc1ccccc1C1(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CCCC1 ZINC001311706178 1069511720 /nfs/dbraw/zinc/51/17/20/1069511720.db2.gz WSFAGSAUJKPMOM-QHCPKHFHSA-N 1 2 450.627 3.622 20 0 JHADLO COc1ccccc1C1(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)CCCC1 ZINC001311706178 1069511723 /nfs/dbraw/zinc/51/17/23/1069511723.db2.gz WSFAGSAUJKPMOM-QHCPKHFHSA-N 1 2 450.627 3.622 20 0 JHADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306739651 1069512357 /nfs/dbraw/zinc/51/23/57/1069512357.db2.gz XSMRYCDMQPUMCK-RPWUZVMVSA-N 1 2 482.673 3.608 20 0 JHADLO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001306743269 1069521800 /nfs/dbraw/zinc/52/18/00/1069521800.db2.gz KOYLTSHFFAOBOT-UHFFFAOYSA-N 1 2 455.651 3.509 20 0 JHADLO C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001311912566 1069609722 /nfs/dbraw/zinc/60/97/22/1069609722.db2.gz FBMTZZXWEYBLKL-OALUTQOASA-N 1 2 451.571 3.508 20 0 JHADLO CCOc1c(Cl)cc(Cn2c(C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1OC ZINC001314152768 1069618101 /nfs/dbraw/zinc/61/81/01/1069618101.db2.gz WFPVCFPHQONJDS-UHFFFAOYSA-N 1 2 456.978 3.719 20 0 JHADLO CCOc1c(OC)cc(Cn2c(CC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC001314156872 1069629757 /nfs/dbraw/zinc/62/97/57/1069629757.db2.gz LYUVMXUKMQOUJR-UHFFFAOYSA-N 1 2 480.613 3.662 20 0 JHADLO CCCN(CCC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306816320 1069638312 /nfs/dbraw/zinc/63/83/12/1069638312.db2.gz CNWHINSIQFGUKS-UHFFFAOYSA-N 1 2 456.635 3.884 20 0 JHADLO CCCN(CCC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001306816320 1069638314 /nfs/dbraw/zinc/63/83/14/1069638314.db2.gz CNWHINSIQFGUKS-UHFFFAOYSA-N 1 2 456.635 3.884 20 0 JHADLO O=C(NCCOC[C@@H]1CCCO1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312027286 1069681772 /nfs/dbraw/zinc/68/17/72/1069681772.db2.gz LXBHLHHBXOWGFZ-BJKOFHAPSA-N 1 2 458.002 3.952 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)CC2)c1 ZINC001312059232 1069698961 /nfs/dbraw/zinc/69/89/61/1069698961.db2.gz WDHFNQYOZZFQIN-LJQANCHMSA-N 1 2 450.539 3.817 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001314190616 1069750536 /nfs/dbraw/zinc/75/05/36/1069750536.db2.gz AOETWMAXXBZFRG-IVAOSVALSA-N 1 2 489.686 3.868 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314196407 1069772835 /nfs/dbraw/zinc/77/28/35/1069772835.db2.gz YODXVLFQHYZILO-RTWAWAEBSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314196407 1069772849 /nfs/dbraw/zinc/77/28/49/1069772849.db2.gz YODXVLFQHYZILO-RTWAWAEBSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)n1 ZINC001314209702 1069829013 /nfs/dbraw/zinc/82/90/13/1069829013.db2.gz WXLOUCAKMDCZIQ-UHFFFAOYSA-N 1 2 478.645 3.884 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314215371 1069847280 /nfs/dbraw/zinc/84/72/80/1069847280.db2.gz FDJNTZUTTYDYIB-IBGZPJMESA-N 1 2 480.613 3.769 20 0 JHADLO COc1ccc(OC)c2c1CN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C[C@H]2O ZINC001312351980 1069880775 /nfs/dbraw/zinc/88/07/75/1069880775.db2.gz QWHHCBPPVNPENT-LEWJYISDSA-N 1 2 450.539 3.517 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424114 1069926572 /nfs/dbraw/zinc/92/65/72/1069926572.db2.gz CESMEOXIUSWJEJ-ZRRCRCOKSA-N 1 2 453.892 3.984 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)C1 ZINC001312424114 1069926586 /nfs/dbraw/zinc/92/65/86/1069926586.db2.gz CESMEOXIUSWJEJ-ZRRCRCOKSA-N 1 2 453.892 3.984 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427093 1069930227 /nfs/dbraw/zinc/93/02/27/1069930227.db2.gz UIDFFMDKVDITCL-JTHBVZDNSA-N 1 2 453.974 3.671 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCNc2ccc3ccccc3n2)c2ccc(Cl)cc2)C1 ZINC001312427093 1069930236 /nfs/dbraw/zinc/93/02/36/1069930236.db2.gz UIDFFMDKVDITCL-JTHBVZDNSA-N 1 2 453.974 3.671 20 0 JHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC001307451124 1069991402 /nfs/dbraw/zinc/99/14/02/1069991402.db2.gz ROQQICKGLMEEDM-CVDCTZTESA-N 1 2 453.583 3.650 20 0 JHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC001307451124 1069991422 /nfs/dbraw/zinc/99/14/22/1069991422.db2.gz ROQQICKGLMEEDM-CVDCTZTESA-N 1 2 453.583 3.650 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H](OCC)[C@@H]3Oc3ccccc3)CC2)cc1 ZINC001312535539 1069997938 /nfs/dbraw/zinc/99/79/38/1069997938.db2.gz CRWLVPBJENUUNT-DSNGMDLFSA-N 1 2 453.583 3.538 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3ccc(F)cc3Br)C2)cc1 ZINC001312545932 1070005090 /nfs/dbraw/zinc/00/50/90/1070005090.db2.gz CXAUJMIJMCCFDU-LJQANCHMSA-N 1 2 450.352 3.597 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3ccc(F)cc3Br)C2)cc1 ZINC001312545932 1070005103 /nfs/dbraw/zinc/00/51/03/1070005103.db2.gz CXAUJMIJMCCFDU-LJQANCHMSA-N 1 2 450.352 3.597 20 0 JHADLO Cc1ccc(N(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478446 1070007287 /nfs/dbraw/zinc/00/72/87/1070007287.db2.gz JNZCXHKKJKPNDW-XUZZJYLKSA-N 1 2 456.583 3.651 20 0 JHADLO Cc1ccc(N(C(=O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001307478446 1070007296 /nfs/dbraw/zinc/00/72/96/1070007296.db2.gz JNZCXHKKJKPNDW-XUZZJYLKSA-N 1 2 456.583 3.651 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)[C@@H](CCO)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307505624 1070023647 /nfs/dbraw/zinc/02/36/47/1070023647.db2.gz IQRKDBFDYGLEPA-RBBKRZOGSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)[C@@H](CCO)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307505624 1070023661 /nfs/dbraw/zinc/02/36/61/1070023661.db2.gz IQRKDBFDYGLEPA-RBBKRZOGSA-N 1 2 457.958 3.567 20 0 JHADLO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001307517765 1070029598 /nfs/dbraw/zinc/02/95/98/1070029598.db2.gz FVMNJSNSOFLXFR-HXUWFJFHSA-N 1 2 453.505 3.964 20 0 JHADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001307518913 1070030670 /nfs/dbraw/zinc/03/06/70/1070030670.db2.gz XKCLJUUBYGEEIZ-DEOSSOPVSA-N 1 2 457.596 3.615 20 0 JHADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001307518913 1070030679 /nfs/dbraw/zinc/03/06/79/1070030679.db2.gz XKCLJUUBYGEEIZ-DEOSSOPVSA-N 1 2 457.596 3.615 20 0 JHADLO C[C@@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC001312585947 1070030909 /nfs/dbraw/zinc/03/09/09/1070030909.db2.gz LFYDXAZIRUAYHH-MLGOLLRUSA-N 1 2 458.731 3.934 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314279541 1070040043 /nfs/dbraw/zinc/04/00/43/1070040043.db2.gz ZNOCCQTVMOTSLC-KNQAVFIVSA-N 1 2 470.568 3.850 20 0 JHADLO CC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1cccc(S(N)(=O)=O)c1 ZINC001307628385 1070088429 /nfs/dbraw/zinc/08/84/29/1070088429.db2.gz JMKAYCKPUQXMCP-FQEVSTJZSA-N 1 2 458.609 3.521 20 0 JHADLO CCOCc1nnc(N(CC)Cc2ccccc2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001314313263 1070099842 /nfs/dbraw/zinc/09/98/42/1070099842.db2.gz HSGRBGTWLSLKBP-OAQYLSRUSA-N 1 2 464.614 3.818 20 0 JHADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC001307648291 1070101062 /nfs/dbraw/zinc/10/10/62/1070101062.db2.gz ZORYPCKNSUUDCB-OAQYLSRUSA-N 1 2 459.493 3.817 20 0 JHADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC001307648291 1070101065 /nfs/dbraw/zinc/10/10/65/1070101065.db2.gz ZORYPCKNSUUDCB-OAQYLSRUSA-N 1 2 459.493 3.817 20 0 JHADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312753877 1070104439 /nfs/dbraw/zinc/10/44/39/1070104439.db2.gz QKPCHRGVZPMSOS-GOEBONIOSA-N 1 2 456.812 3.639 20 0 JHADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001312767939 1070111897 /nfs/dbraw/zinc/11/18/97/1070111897.db2.gz DHQBDSPXOPOEID-GOEBONIOSA-N 1 2 458.828 3.885 20 0 JHADLO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC001307676239 1070118843 /nfs/dbraw/zinc/11/88/43/1070118843.db2.gz WSUNVKXTQINZGZ-INIZCTEOSA-N 1 2 455.374 3.648 20 0 JHADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCc2cc(Br)ccc2F)CC1 ZINC001312788438 1070121811 /nfs/dbraw/zinc/12/18/11/1070121811.db2.gz GBLJPUUXJDZCIB-UHFFFAOYSA-N 1 2 450.352 3.933 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3[C@H](c4ccccc4)C3(C)C)CC2)C1 ZINC001312836970 1070147022 /nfs/dbraw/zinc/14/70/22/1070147022.db2.gz APVCMWDZJPXRCS-FKBYEOEOSA-N 1 2 456.631 3.763 20 0 JHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)c(Cl)c1 ZINC001307726721 1070151429 /nfs/dbraw/zinc/15/14/29/1070151429.db2.gz ILPABNFOABVHCU-MRXNPFEDSA-N 1 2 450.004 3.813 20 0 JHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)c(Cl)c1 ZINC001307726721 1070151430 /nfs/dbraw/zinc/15/14/30/1070151430.db2.gz ILPABNFOABVHCU-MRXNPFEDSA-N 1 2 450.004 3.813 20 0 JHADLO CN(C(=O)C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1nc2ccccc2s1 ZINC001307734624 1070157950 /nfs/dbraw/zinc/15/79/50/1070157950.db2.gz QKPBPLJECYBOAY-LJQANCHMSA-N 1 2 452.580 3.898 20 0 JHADLO CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1nc2ccccc2s1 ZINC001307734624 1070157956 /nfs/dbraw/zinc/15/79/56/1070157956.db2.gz QKPBPLJECYBOAY-LJQANCHMSA-N 1 2 452.580 3.898 20 0 JHADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1cc2ccccc2o1 ZINC001307765212 1070174630 /nfs/dbraw/zinc/17/46/30/1070174630.db2.gz CZYUACHBNYWZCA-ONHLAKKPSA-N 1 2 481.515 3.547 20 0 JHADLO O=C(C[N@H+]1CC[C@H](c2cccc(Br)c2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC001307779356 1070179479 /nfs/dbraw/zinc/17/94/79/1070179479.db2.gz KZHLGDMTJVLVJC-IBGZPJMESA-N 1 2 456.384 3.682 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC001307779356 1070179485 /nfs/dbraw/zinc/17/94/85/1070179485.db2.gz KZHLGDMTJVLVJC-IBGZPJMESA-N 1 2 456.384 3.682 20 0 JHADLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806344 1070192349 /nfs/dbraw/zinc/19/23/49/1070192349.db2.gz XRHFMCXEFMKMDR-VQIMIIECSA-N 1 2 456.608 3.898 20 0 JHADLO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806344 1070192356 /nfs/dbraw/zinc/19/23/56/1070192356.db2.gz XRHFMCXEFMKMDR-VQIMIIECSA-N 1 2 456.608 3.898 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001314367193 1070200747 /nfs/dbraw/zinc/20/07/47/1070200747.db2.gz IOYADVJPBLWFCY-OAQYLSRUSA-N 1 2 472.634 3.987 20 0 JHADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC001307836353 1070205630 /nfs/dbraw/zinc/20/56/30/1070205630.db2.gz CIDGHJJZVKIZED-UHFFFAOYSA-N 1 2 459.612 3.573 20 0 JHADLO Fc1cc(-c2noc(C[N@@H+]3CC[C@H](Oc4cncc(Br)c4)C3)n2)cc(F)c1F ZINC001307880449 1070221235 /nfs/dbraw/zinc/22/12/35/1070221235.db2.gz CZKNUHZCCQOBPS-LBPRGKRZSA-N 1 2 455.234 3.965 20 0 JHADLO Fc1cc(-c2noc(C[N@H+]3CC[C@H](Oc4cncc(Br)c4)C3)n2)cc(F)c1F ZINC001307880449 1070221246 /nfs/dbraw/zinc/22/12/46/1070221246.db2.gz CZKNUHZCCQOBPS-LBPRGKRZSA-N 1 2 455.234 3.965 20 0 JHADLO COc1ccc([C@@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908338 1070234210 /nfs/dbraw/zinc/23/42/10/1070234210.db2.gz LLDWJUMFLRWWAA-LPHOPBHVSA-N 1 2 450.436 3.747 20 0 JHADLO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908338 1070234218 /nfs/dbraw/zinc/23/42/18/1070234218.db2.gz LLDWJUMFLRWWAA-LPHOPBHVSA-N 1 2 450.436 3.747 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC001313067954 1070240011 /nfs/dbraw/zinc/24/00/11/1070240011.db2.gz SUKLHUKPXDRVET-QFIPXVFZSA-N 1 2 452.603 3.510 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccc(OC)nc2)c2c[nH]c3ccccc32)cc1 ZINC001307922639 1070243932 /nfs/dbraw/zinc/24/39/32/1070243932.db2.gz WPQKCDRHQMBPEN-QHCPKHFHSA-N 1 2 458.562 3.960 20 0 JHADLO COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccc(OC)nc2)c2c[nH]c3ccccc32)cc1 ZINC001307922639 1070243944 /nfs/dbraw/zinc/24/39/44/1070243944.db2.gz WPQKCDRHQMBPEN-QHCPKHFHSA-N 1 2 458.562 3.960 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001314392567 1070249236 /nfs/dbraw/zinc/24/92/36/1070249236.db2.gz RQWPCFUSILOUSY-CPJSRVTESA-N 1 2 471.650 3.711 20 0 JHADLO CN(CCOCC[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)OC(C)(C)C ZINC001307940259 1070251436 /nfs/dbraw/zinc/25/14/36/1070251436.db2.gz DGXJXIXVYZNXCH-UHFFFAOYSA-N 1 2 458.390 3.889 20 0 JHADLO CN(CCOCC[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)OC(C)(C)C ZINC001307940259 1070251449 /nfs/dbraw/zinc/25/14/49/1070251449.db2.gz DGXJXIXVYZNXCH-UHFFFAOYSA-N 1 2 458.390 3.889 20 0 JHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1C ZINC001307941658 1070252156 /nfs/dbraw/zinc/25/21/56/1070252156.db2.gz PKJLJPMVTVFGLD-QAPCUYQASA-N 1 2 455.521 3.918 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CCSC(F)(F)F ZINC001314399827 1070261381 /nfs/dbraw/zinc/26/13/81/1070261381.db2.gz GBILAFXBBOMDSM-UHFFFAOYSA-N 1 2 477.528 3.538 20 0 JHADLO COc1ccc(C[N@H+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)[C@@H](C)CCCO)cc1 ZINC001307981987 1070268795 /nfs/dbraw/zinc/26/87/95/1070268795.db2.gz PKCULRAWOSRPIY-INIZCTEOSA-N 1 2 456.612 3.692 20 0 JHADLO COc1ccc(C[N@@H+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)[C@@H](C)CCCO)cc1 ZINC001307981987 1070268809 /nfs/dbraw/zinc/26/88/09/1070268809.db2.gz PKCULRAWOSRPIY-INIZCTEOSA-N 1 2 456.612 3.692 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2)c1 ZINC001313151998 1070270825 /nfs/dbraw/zinc/27/08/25/1070270825.db2.gz ONEZGCOBEOGAOD-PMOQBDJRSA-N 1 2 461.965 3.818 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2)c1 ZINC001313151998 1070270846 /nfs/dbraw/zinc/27/08/46/1070270846.db2.gz ONEZGCOBEOGAOD-PMOQBDJRSA-N 1 2 461.965 3.818 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)C2)c1 ZINC001313164287 1070275272 /nfs/dbraw/zinc/27/52/72/1070275272.db2.gz OKKNTQYBVVMPIA-LOSJGSFVSA-N 1 2 455.574 3.726 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)C2)c1 ZINC001313164287 1070275283 /nfs/dbraw/zinc/27/52/83/1070275283.db2.gz OKKNTQYBVVMPIA-LOSJGSFVSA-N 1 2 455.574 3.726 20 0 JHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001313207750 1070293049 /nfs/dbraw/zinc/29/30/49/1070293049.db2.gz QXMSFYTYWCTDQT-UXHICEINSA-N 1 2 457.456 3.526 20 0 JHADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001313208643 1070293642 /nfs/dbraw/zinc/29/36/42/1070293642.db2.gz XQLZLHQZQLUOTE-NJDAHSKKSA-N 1 2 455.356 3.904 20 0 JHADLO CCOC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314423963 1070299965 /nfs/dbraw/zinc/29/99/65/1070299965.db2.gz XFMRMMVAXLSDPY-QHAWAJNXSA-N 1 2 475.609 3.531 20 0 JHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072095 1070302281 /nfs/dbraw/zinc/30/22/81/1070302281.db2.gz NKMBJYFUSJCKIZ-PBHICJAKSA-N 1 2 459.509 3.998 20 0 JHADLO C[C@@H](NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072095 1070302298 /nfs/dbraw/zinc/30/22/98/1070302298.db2.gz NKMBJYFUSJCKIZ-PBHICJAKSA-N 1 2 459.509 3.998 20 0 JHADLO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C2 ZINC001313246913 1070304288 /nfs/dbraw/zinc/30/42/88/1070304288.db2.gz IRWSRMSIAIHURK-FSSWDIPSSA-N 1 2 465.598 3.928 20 0 JHADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001308083222 1070307061 /nfs/dbraw/zinc/30/70/61/1070307061.db2.gz QYADZVWUVDZFBC-RBZFPXEDSA-N 1 2 475.533 3.538 20 0 JHADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001308083222 1070307079 /nfs/dbraw/zinc/30/70/79/1070307079.db2.gz QYADZVWUVDZFBC-RBZFPXEDSA-N 1 2 475.533 3.538 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314432192 1070316395 /nfs/dbraw/zinc/31/63/95/1070316395.db2.gz RGFFRVGJWJHJRC-QUCCMNQESA-N 1 2 468.577 3.929 20 0 JHADLO CCOC[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001314432189 1070316510 /nfs/dbraw/zinc/31/65/10/1070316510.db2.gz RGFFRVGJWJHJRC-ICSRJNTNSA-N 1 2 468.577 3.929 20 0 JHADLO COC(=O)CC(C)(C)CNC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001313298075 1070319976 /nfs/dbraw/zinc/31/99/76/1070319976.db2.gz CHACOKWLJYLUSG-UHFFFAOYSA-N 1 2 453.583 3.682 20 0 JHADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121836 1070321077 /nfs/dbraw/zinc/32/10/77/1070321077.db2.gz OVBBOFLRXXNMNU-QHCPKHFHSA-N 1 2 450.963 3.860 20 0 JHADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121836 1070321099 /nfs/dbraw/zinc/32/10/99/1070321099.db2.gz OVBBOFLRXXNMNU-QHCPKHFHSA-N 1 2 450.963 3.860 20 0 JHADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC001308144270 1070328353 /nfs/dbraw/zinc/32/83/53/1070328353.db2.gz UMGSFKJLRORBDB-PXAZEXFGSA-N 1 2 458.727 3.903 20 0 JHADLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cncc3Br)cn2)CCO1 ZINC001308198942 1070340159 /nfs/dbraw/zinc/34/01/59/1070340159.db2.gz DVDLTVJZPWIJNO-GFCCVEGCSA-N 1 2 456.182 3.517 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313378936 1070340894 /nfs/dbraw/zinc/34/08/94/1070340894.db2.gz HLOCOIRJPIQUKW-NMIHRBCNSA-N 1 2 472.630 3.841 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313378936 1070340909 /nfs/dbraw/zinc/34/09/09/1070340909.db2.gz HLOCOIRJPIQUKW-NMIHRBCNSA-N 1 2 472.630 3.841 20 0 JHADLO C[C@H](NC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313433176 1070358248 /nfs/dbraw/zinc/35/82/48/1070358248.db2.gz KREAXVKBOMKURQ-AWEZNQCLSA-N 1 2 452.458 3.726 20 0 JHADLO CNc1cc(CNC(=O)N2CCc3cc(Br)c(Br)cc3C2)cc[nH+]1 ZINC001313425921 1070356321 /nfs/dbraw/zinc/35/63/21/1070356321.db2.gz QZPAXQMXJCWGQS-UHFFFAOYSA-N 1 2 454.166 3.916 20 0 JHADLO COc1cc(OC)c(OC)cc1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001308374864 1070363760 /nfs/dbraw/zinc/36/37/60/1070363760.db2.gz WFOVOIAGVLWVEN-UHFFFAOYSA-N 1 2 450.377 3.839 20 0 JHADLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC001308564757 1070389792 /nfs/dbraw/zinc/38/97/92/1070389792.db2.gz MTEYEJASZPBKAS-UHFFFAOYSA-N 1 2 458.024 3.599 20 0 JHADLO Cc1ccc(NC(=O)C2CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)nc1 ZINC001308581674 1070393774 /nfs/dbraw/zinc/39/37/74/1070393774.db2.gz IXUCVWZOSHKCED-UHFFFAOYSA-N 1 2 455.360 3.584 20 0 JHADLO CCOCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001314484507 1070397130 /nfs/dbraw/zinc/39/71/30/1070397130.db2.gz WDGKRAOAHJTEQO-UHFFFAOYSA-N 1 2 491.459 3.831 20 0 JHADLO CCOCCn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001314487234 1070399050 /nfs/dbraw/zinc/39/90/50/1070399050.db2.gz BGQMWAASGURJPL-UHFFFAOYSA-N 1 2 463.630 3.762 20 0 JHADLO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)cc2OC)o1 ZINC001308608113 1070400917 /nfs/dbraw/zinc/40/09/17/1070400917.db2.gz RMELZYGBPURQNR-HNNXBMFYSA-N 1 2 456.461 3.722 20 0 JHADLO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCN(CC(F)(F)F)[C@@H](C)C3)cc2OC)o1 ZINC001308608113 1070400924 /nfs/dbraw/zinc/40/09/24/1070400924.db2.gz RMELZYGBPURQNR-HNNXBMFYSA-N 1 2 456.461 3.722 20 0 JHADLO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC001308633495 1070407636 /nfs/dbraw/zinc/40/76/36/1070407636.db2.gz DCTLIXRYDHFGHG-UHFFFAOYSA-N 1 2 459.384 3.961 20 0 JHADLO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001313462371 1070420782 /nfs/dbraw/zinc/42/07/82/1070420782.db2.gz BMCIETUFSKDSNP-QFIPXVFZSA-N 1 2 467.662 3.968 20 0 JHADLO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1)C(F)(F)F ZINC001308768389 1070434376 /nfs/dbraw/zinc/43/43/76/1070434376.db2.gz YMGYHHRMTJOPMA-MOPGFXCFSA-N 1 2 470.923 3.633 20 0 JHADLO COC(=O)N1CCN(c2ccc(N[C@@H](C)Cc3ccc(F)cc3Br)c[nH+]2)CC1 ZINC001308780016 1070437346 /nfs/dbraw/zinc/43/73/46/1070437346.db2.gz ULQSVAYDSYDNOW-AWEZNQCLSA-N 1 2 451.340 3.915 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3sc(N4CCCC4)nc3Cl)CC2)C1 ZINC001308801557 1070439630 /nfs/dbraw/zinc/43/96/30/1070439630.db2.gz JYZICZFSWKDZMF-MRXNPFEDSA-N 1 2 456.056 3.524 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882445 1070454367 /nfs/dbraw/zinc/45/43/67/1070454367.db2.gz OKCYHIASNRYYNO-DFBJGRDBSA-N 1 2 454.571 3.928 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001308882445 1070454372 /nfs/dbraw/zinc/45/43/72/1070454372.db2.gz OKCYHIASNRYYNO-DFBJGRDBSA-N 1 2 454.571 3.928 20 0 JHADLO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3nc(N(C)C)n(-c4ccccc4)c3Cl)C2)cc1 ZINC001308905434 1070457644 /nfs/dbraw/zinc/45/76/44/1070457644.db2.gz DRFQBDUHYMFOBG-QFIPXVFZSA-N 1 2 454.018 3.891 20 0 JHADLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907633 1070458228 /nfs/dbraw/zinc/45/82/28/1070458228.db2.gz XLSYQIMZXAKIRQ-ZIAGYGMSSA-N 1 2 453.356 3.664 20 0 JHADLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907633 1070458235 /nfs/dbraw/zinc/45/82/35/1070458235.db2.gz XLSYQIMZXAKIRQ-ZIAGYGMSSA-N 1 2 453.356 3.664 20 0 JHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922857 1070459908 /nfs/dbraw/zinc/45/99/08/1070459908.db2.gz ZOTVRZZYJKFFEH-KBPBESRZSA-N 1 2 459.559 3.893 20 0 JHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922857 1070459911 /nfs/dbraw/zinc/45/99/11/1070459911.db2.gz ZOTVRZZYJKFFEH-KBPBESRZSA-N 1 2 459.559 3.893 20 0 JHADLO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC001308937750 1070463148 /nfs/dbraw/zinc/46/31/48/1070463148.db2.gz XGAUHUSJZHZUPP-OAHLLOKOSA-N 1 2 451.502 3.655 20 0 JHADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942675 1070463611 /nfs/dbraw/zinc/46/36/11/1070463611.db2.gz IYSUZKAGEJCYAF-IRXDYDNUSA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942675 1070463619 /nfs/dbraw/zinc/46/36/19/1070463619.db2.gz IYSUZKAGEJCYAF-IRXDYDNUSA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001308966196 1070467690 /nfs/dbraw/zinc/46/76/90/1070467690.db2.gz PBMSTYFADLDUON-BQFCYCMXSA-N 1 2 455.393 3.959 20 0 JHADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001308966199 1070468605 /nfs/dbraw/zinc/46/86/05/1070468605.db2.gz PBMSTYFADLDUON-RYRKJORJSA-N 1 2 455.393 3.959 20 0 JHADLO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314522131 1070510204 /nfs/dbraw/zinc/51/02/04/1070510204.db2.gz FADBIYUYRYERCU-UHFFFAOYSA-N 1 2 497.452 3.632 20 0 JHADLO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1Br ZINC001309129247 1070554523 /nfs/dbraw/zinc/55/45/23/1070554523.db2.gz QYNDYTRENAEWNP-CYBMUJFWSA-N 1 2 459.431 3.634 20 0 JHADLO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1Br ZINC001309129247 1070554527 /nfs/dbraw/zinc/55/45/27/1070554527.db2.gz QYNDYTRENAEWNP-CYBMUJFWSA-N 1 2 459.431 3.634 20 0 JHADLO CC[S@@](=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314565195 1070570184 /nfs/dbraw/zinc/57/01/84/1070570184.db2.gz ZXQLUKUMTAMDHD-YEPRJOMISA-N 1 2 493.743 3.590 20 0 JHADLO CC[S@@](=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314565195 1070570197 /nfs/dbraw/zinc/57/01/97/1070570197.db2.gz ZXQLUKUMTAMDHD-YEPRJOMISA-N 1 2 493.743 3.590 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001313520678 1070586891 /nfs/dbraw/zinc/58/68/91/1070586891.db2.gz FLJDFGWZOUYMQI-OAQYLSRUSA-N 1 2 499.637 3.586 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001314600066 1070648585 /nfs/dbraw/zinc/64/85/85/1070648585.db2.gz NYQJPFIFVKJWNA-NRFANRHFSA-N 1 2 485.702 3.962 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001314607304 1070665961 /nfs/dbraw/zinc/66/59/61/1070665961.db2.gz LHPIAEFWTDYZPP-QPPBQGQZSA-N 1 2 487.714 3.905 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001314607304 1070665966 /nfs/dbraw/zinc/66/59/66/1070665966.db2.gz LHPIAEFWTDYZPP-QPPBQGQZSA-N 1 2 487.714 3.905 20 0 JHADLO CCS[C@H]1CCCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c[nH+]ccc2OC)C1 ZINC001314610372 1070673007 /nfs/dbraw/zinc/67/30/07/1070673007.db2.gz QVCDKPOYYYUVLH-CUWPLCDZSA-N 1 2 461.632 3.566 20 0 JHADLO CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001313562128 1070679785 /nfs/dbraw/zinc/67/97/85/1070679785.db2.gz VLZOKAFMPIBYKH-MRXNPFEDSA-N 1 2 456.978 3.732 20 0 JHADLO CN(C)C(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001314629905 1070729419 /nfs/dbraw/zinc/72/94/19/1070729419.db2.gz BBHKKRKCRWMIOK-UHFFFAOYSA-N 1 2 475.641 3.641 20 0 JHADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)c3cnc4ccsc4c3)[nH+]c12 ZINC001309389542 1070740041 /nfs/dbraw/zinc/74/00/41/1070740041.db2.gz GIATZQBEQLWZOC-UHFFFAOYSA-N 1 2 451.371 3.536 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCOC2)c[nH+]1 ZINC001314660062 1070783319 /nfs/dbraw/zinc/78/33/19/1070783319.db2.gz FGEYPHYQYFEJCI-SFHVURJKSA-N 1 2 472.540 3.919 20 0 JHADLO CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001314662077 1070788284 /nfs/dbraw/zinc/78/82/84/1070788284.db2.gz WZBFHBRTNQDLOK-UHFFFAOYSA-N 1 2 469.634 3.796 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001314664440 1070794956 /nfs/dbraw/zinc/79/49/56/1070794956.db2.gz VGEHYCIFPKBUHS-UHFFFAOYSA-N 1 2 489.546 3.984 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CC)CC2)CC1 ZINC001313648006 1070815082 /nfs/dbraw/zinc/81/50/82/1070815082.db2.gz JXWFBDOMQNCRDP-UHFFFAOYSA-N 1 2 489.064 3.788 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001313654806 1070841604 /nfs/dbraw/zinc/84/16/04/1070841604.db2.gz SQLNJRBPIUMUCV-UHFFFAOYSA-N 1 2 482.677 3.593 20 0 JHADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC001309553893 1070852363 /nfs/dbraw/zinc/85/23/63/1070852363.db2.gz UKQXBZIHONBRKA-UHFFFAOYSA-N 1 2 450.560 3.510 20 0 JHADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC001309553893 1070852395 /nfs/dbraw/zinc/85/23/95/1070852395.db2.gz UKQXBZIHONBRKA-UHFFFAOYSA-N 1 2 450.560 3.510 20 0 JHADLO CN(CC(C)(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314711549 1070892803 /nfs/dbraw/zinc/89/28/03/1070892803.db2.gz UERGWBCKIMUJQP-LJQANCHMSA-N 1 2 459.616 3.727 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)c[nH+]1 ZINC001313672129 1070902469 /nfs/dbraw/zinc/90/24/69/1070902469.db2.gz BHZYYWYZGIXCGH-UHFFFAOYSA-N 1 2 474.675 3.629 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001313676636 1070921864 /nfs/dbraw/zinc/92/18/64/1070921864.db2.gz AQKMZSHNMUPMKS-UHFFFAOYSA-N 1 2 491.640 3.596 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCC(=O)NC)c[nH+]1 ZINC001313677491 1070925390 /nfs/dbraw/zinc/92/53/90/1070925390.db2.gz RBXPLFPOZJGCOY-UHFFFAOYSA-N 1 2 473.984 3.599 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c[nH+]1 ZINC001313678626 1070931081 /nfs/dbraw/zinc/93/10/81/1070931081.db2.gz IIJCFVMJXLFDPW-OAQYLSRUSA-N 1 2 481.689 3.993 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCO[C@@](C)(CC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001313680206 1070937505 /nfs/dbraw/zinc/93/75/05/1070937505.db2.gz XOQWKRHYYPBFCK-IZZNHLLZSA-N 1 2 486.661 3.614 20 0 JHADLO CN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314768191 1071030532 /nfs/dbraw/zinc/03/05/32/1071030532.db2.gz NQUKBVSCWRHJMR-ROUUACIJSA-N 1 2 460.554 3.508 20 0 JHADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001310085291 1071108763 /nfs/dbraw/zinc/10/87/63/1071108763.db2.gz VQRFJHQEKLOEDN-MRXNPFEDSA-N 1 2 453.406 3.729 20 0 JHADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001310085291 1071108774 /nfs/dbraw/zinc/10/87/74/1071108774.db2.gz VQRFJHQEKLOEDN-MRXNPFEDSA-N 1 2 453.406 3.729 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cccn2C)n1CCNC(=O)C(C)(C)C ZINC001313777800 1071137263 /nfs/dbraw/zinc/13/72/63/1071137263.db2.gz BVSHCJGATSYXHB-UHFFFAOYSA-N 1 2 492.672 3.584 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CCCC2)n1CCCNC(C)=O ZINC001313778477 1071140348 /nfs/dbraw/zinc/14/03/48/1071140348.db2.gz IHLBZPYUZOVXGE-UHFFFAOYSA-N 1 2 453.635 3.600 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CC2)n1CCNC(=O)OC(C)(C)C ZINC001313779707 1071143252 /nfs/dbraw/zinc/14/32/52/1071143252.db2.gz PLFMGOSQXBOLGK-UHFFFAOYSA-N 1 2 469.634 3.818 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1CCCSC ZINC001313780110 1071144219 /nfs/dbraw/zinc/14/42/19/1071144219.db2.gz WBDNGEWXCUXEDO-UHFFFAOYSA-N 1 2 454.648 3.570 20 0 JHADLO CCN(C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2c[nH+]ccc2OC)C1)CC(F)(F)F ZINC001313790171 1071182766 /nfs/dbraw/zinc/18/27/66/1071182766.db2.gz SYFHISYXEFWUPL-KRWDZBQOSA-N 1 2 475.519 3.503 20 0 JHADLO CN(CCC1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314840140 1071186788 /nfs/dbraw/zinc/18/67/88/1071186788.db2.gz GWVUSQZAJOJXJU-NHCUHLMSSA-N 1 2 463.573 3.964 20 0 JHADLO CN(CCCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001314850718 1071217755 /nfs/dbraw/zinc/21/77/55/1071217755.db2.gz KFFXKFZTAKIBSB-UHFFFAOYSA-N 1 2 471.650 3.845 20 0 JHADLO CCN(CCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(=O)OC(C)(C)C ZINC001313807686 1071229616 /nfs/dbraw/zinc/22/96/16/1071229616.db2.gz VEMIQAOYDSRMGH-UHFFFAOYSA-N 1 2 495.628 3.821 20 0 JHADLO COc1ccc(C2=NO[C@H](CNC(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)C2)cc1C ZINC001310289440 1071273459 /nfs/dbraw/zinc/27/34/59/1071273459.db2.gz CIXRFEYIQQICSH-GCJKJVERSA-N 1 2 452.555 3.712 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CSCCS1 ZINC001314869875 1071280088 /nfs/dbraw/zinc/28/00/88/1071280088.db2.gz IIPYEEOEWHYWMC-NRFANRHFSA-N 1 2 475.728 3.860 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 ZINC001314869962 1071280171 /nfs/dbraw/zinc/28/01/71/1071280171.db2.gz KGGVVNHWXOWCGT-UHFFFAOYSA-N 1 2 458.994 3.701 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC(F)F ZINC001314870884 1071282805 /nfs/dbraw/zinc/28/28/05/1071282805.db2.gz WFHLDTXANZMING-UHFFFAOYSA-N 1 2 464.344 3.650 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nccn1C(F)F ZINC001314872198 1071286190 /nfs/dbraw/zinc/28/61/90/1071286190.db2.gz WHWJAVIACSGBGN-UHFFFAOYSA-N 1 2 498.003 3.632 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001314874547 1071291515 /nfs/dbraw/zinc/29/15/15/1071291515.db2.gz YHXQOKLROFAHAV-OAQYLSRUSA-N 1 2 492.709 3.815 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001313884970 1071465725 /nfs/dbraw/zinc/46/57/25/1071465725.db2.gz OLSYJYYXQRBFBL-SQNIBIBYSA-N 1 2 498.118 3.577 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001313884970 1071465731 /nfs/dbraw/zinc/46/57/31/1071465731.db2.gz OLSYJYYXQRBFBL-SQNIBIBYSA-N 1 2 498.118 3.577 20 0 JHADLO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001315031035 1071559964 /nfs/dbraw/zinc/55/99/64/1071559964.db2.gz ZTHWFMHENNJAAA-UHFFFAOYSA-N 1 2 475.641 3.573 20 0 JHADLO CNC(=O)CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001315040209 1071572290 /nfs/dbraw/zinc/57/22/90/1071572290.db2.gz FAIALULRELBBRR-FQEVSTJZSA-N 1 2 493.656 3.809 20 0 JHADLO CNC(=O)CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001315040210 1071572336 /nfs/dbraw/zinc/57/23/36/1071572336.db2.gz FAIALULRELBBRR-HXUWFJFHSA-N 1 2 493.656 3.809 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926460 1071576811 /nfs/dbraw/zinc/57/68/11/1071576811.db2.gz CJJDRFISSPYSFX-REWPJTCUSA-N 1 2 490.693 3.600 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926998 1071578761 /nfs/dbraw/zinc/57/87/61/1071578761.db2.gz HBDUVDDMUXJXFI-JOCHJYFZSA-N 1 2 454.663 3.818 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313926987 1071578841 /nfs/dbraw/zinc/57/88/41/1071578841.db2.gz GTEVZOBKITXMSR-ZRBLBEILSA-N 1 2 454.663 3.592 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927856 1071581895 /nfs/dbraw/zinc/58/18/95/1071581895.db2.gz PGFSDFXJMGIHIO-JOCHJYFZSA-N 1 2 456.679 3.982 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313927853 1071581912 /nfs/dbraw/zinc/58/19/12/1071581912.db2.gz PCTKYYYAONNBHD-NZQKXSOJSA-N 1 2 454.663 3.736 20 0 JHADLO CNc1cc(N2CCC[C@@H]2Cn2c(C(C)C)nnc2N(C)CCOc2ccc(C)cc2)nc[nH+]1 ZINC001315061654 1071583339 /nfs/dbraw/zinc/58/33/39/1071583339.db2.gz UIAHTHUGGZKECY-HXUWFJFHSA-N 1 2 464.618 3.726 20 0 JHADLO CNc1cc(N2CCC[C@@H]2Cn2c(C(C)C)nnc2N(C)CCOc2ccc(C)cc2)[nH+]cn1 ZINC001315061654 1071583345 /nfs/dbraw/zinc/58/33/45/1071583345.db2.gz UIAHTHUGGZKECY-HXUWFJFHSA-N 1 2 464.618 3.726 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928746 1071584435 /nfs/dbraw/zinc/58/44/35/1071584435.db2.gz VXOLXYMCXJGBHX-HXUWFJFHSA-N 1 2 458.626 3.791 20 0 JHADLO CCNC(=O)c1ccc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001313981148 1071717127 /nfs/dbraw/zinc/71/71/27/1071717127.db2.gz JRBROMVDPIXUCR-UHFFFAOYSA-N 1 2 490.656 3.748 20 0 JHADLO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC001314037562 1071830773 /nfs/dbraw/zinc/83/07/73/1071830773.db2.gz MOFPPTUNMBWLQI-BJKOFHAPSA-N 1 2 498.672 3.573 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314041045 1071843099 /nfs/dbraw/zinc/84/30/99/1071843099.db2.gz ZKAUITDPWAYIRF-UZLBHIALSA-N 1 2 487.555 3.569 20 0 JHADLO CCOC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001314049092 1071869533 /nfs/dbraw/zinc/86/95/33/1071869533.db2.gz VXYFHVZYKZGJQS-FQEVSTJZSA-N 1 2 496.700 3.847 20 0 JHADLO CCO[C@]1(c2nnc(N3C[C@@H](C)C[C@@H]3CC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314096466 1071976921 /nfs/dbraw/zinc/97/69/21/1071976921.db2.gz RFFSNTYSYKYAEG-QYXIYQDXSA-N 1 2 456.635 3.845 20 0 JHADLO CCO[C@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001314117030 1072016563 /nfs/dbraw/zinc/01/65/63/1072016563.db2.gz NKFIKXMHQNYYFB-RUZDIDTESA-N 1 2 472.634 3.611 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(CC)(CC)SC)CCOC1 ZINC001314121703 1072024892 /nfs/dbraw/zinc/02/48/92/1072024892.db2.gz PULGOVXHXNCRGP-VWLOTQADSA-N 1 2 488.702 3.876 20 0 JHADLO CCO[C@]1(c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314139382 1072052538 /nfs/dbraw/zinc/05/25/38/1072052538.db2.gz HLEBKGORDBQXCI-IZZNHLLZSA-N 1 2 471.646 3.908 20 0 JHADLO CCc1ccc(-c2nnc(N(C)CCC(=O)NC)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001305923969 1068219311 /nfs/dbraw/zinc/21/93/11/1068219311.db2.gz IKYJSKBUTBIJGP-UHFFFAOYSA-N 1 2 461.614 3.513 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305976299 1068315157 /nfs/dbraw/zinc/31/51/57/1068315157.db2.gz SXQGLTRZRYEWEP-OAQYLSRUSA-N 1 2 493.656 3.853 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305978724 1068320811 /nfs/dbraw/zinc/32/08/11/1068320811.db2.gz OOZJRRYSVOYDMQ-OAQYLSRUSA-N 1 2 450.587 3.544 20 0 JHADLO CCc1cnc(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001305996598 1068361869 /nfs/dbraw/zinc/36/18/69/1068361869.db2.gz XJOVCBVACOQGPH-IBGZPJMESA-N 1 2 454.644 3.553 20 0 JHADLO CCc1cnc(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001305996598 1068361890 /nfs/dbraw/zinc/36/18/90/1068361890.db2.gz XJOVCBVACOQGPH-IBGZPJMESA-N 1 2 454.644 3.553 20 0 JHADLO CCc1nc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)cs1 ZINC001306031427 1068432179 /nfs/dbraw/zinc/43/21/79/1068432179.db2.gz QDWRDNHEMVDXSB-QGZVFWFLSA-N 1 2 475.062 3.898 20 0 JHADLO CCc1nnc(N2CCC=C(Br)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306160442 1068556984 /nfs/dbraw/zinc/55/69/84/1068556984.db2.gz YXPHAFISSKJQOT-FQEVSTJZSA-N 1 2 460.420 3.711 20 0 JHADLO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001306161865 1068557260 /nfs/dbraw/zinc/55/72/60/1068557260.db2.gz RLMOAYHUBBNJDV-MOPGFXCFSA-N 1 2 457.623 3.867 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306166311 1068562313 /nfs/dbraw/zinc/56/23/13/1068562313.db2.gz NPFFEJWYKFIOSK-GMAHTHKFSA-N 1 2 498.672 3.655 20 0 JHADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H](Cc3ccc4cc[nH]c4c3)NC(=O)OC(C)(C)C)sc2C1 ZINC001306178795 1068568705 /nfs/dbraw/zinc/56/87/05/1068568705.db2.gz JBGCGWORFZFIHC-GOSISDBHSA-N 1 2 455.584 3.687 20 0 JHADLO C[N@H+]1CCc2nc(NC(=O)[C@@H](Cc3ccc4cc[nH]c4c3)NC(=O)OC(C)(C)C)sc2C1 ZINC001306178795 1068568714 /nfs/dbraw/zinc/56/87/14/1068568714.db2.gz JBGCGWORFZFIHC-GOSISDBHSA-N 1 2 455.584 3.687 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306278303 1068692411 /nfs/dbraw/zinc/69/24/11/1068692411.db2.gz SNKQHHAVLKMXDG-SXLOBPIMSA-N 1 2 486.617 3.663 20 0 JHADLO CC[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001306306969 1068725594 /nfs/dbraw/zinc/72/55/94/1068725594.db2.gz MPGMVOQTFUUARD-FCHUYYIVSA-N 1 2 498.672 3.582 20 0 JHADLO CC[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306341798 1068778444 /nfs/dbraw/zinc/77/84/44/1068778444.db2.gz SNBAEXSCSLNFKX-YADHBBJMSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001306400182 1068857621 /nfs/dbraw/zinc/85/76/21/1068857621.db2.gz ZTZBIXCJEXVEIY-INIZCTEOSA-N 1 2 477.432 3.830 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001306404228 1068869755 /nfs/dbraw/zinc/86/97/55/1068869755.db2.gz ZEKIGYZJDBZVJJ-UYAOXDASSA-N 1 2 489.667 3.576 20 0 JHADLO CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306449613 1068967324 /nfs/dbraw/zinc/96/73/24/1068967324.db2.gz KCSOSZLOBADKCX-DENIHFKCSA-N 1 2 464.614 3.585 20 0 JHADLO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001310497855 1068982650 /nfs/dbraw/zinc/98/26/50/1068982650.db2.gz HDZRWFLNEASCNJ-OAHLLOKOSA-N 1 2 457.884 3.791 20 0 JHADLO CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC001310526828 1069001020 /nfs/dbraw/zinc/00/10/20/1069001020.db2.gz POTYZHAERQLRSS-UHFFFAOYSA-N 1 2 456.381 3.637 20 0 JHADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001310604143 1069046783 /nfs/dbraw/zinc/04/67/83/1069046783.db2.gz QHBGRDNOYZEHGC-CTNGQTDRSA-N 1 2 459.974 3.778 20 0 JHADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001310604143 1069046797 /nfs/dbraw/zinc/04/67/97/1069046797.db2.gz QHBGRDNOYZEHGC-CTNGQTDRSA-N 1 2 459.974 3.778 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306505057 1069080166 /nfs/dbraw/zinc/08/01/66/1069080166.db2.gz LYQSWXHEYDYVOP-PQNGQFLHSA-N 1 2 497.688 3.591 20 0 JHADLO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775832 1069157297 /nfs/dbraw/zinc/15/72/97/1069157297.db2.gz DQVJGRBPXDMHOU-UNMCSNQZSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775832 1069157303 /nfs/dbraw/zinc/15/73/03/1069157303.db2.gz DQVJGRBPXDMHOU-UNMCSNQZSA-N 1 2 454.962 3.637 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306533956 1069176791 /nfs/dbraw/zinc/17/67/91/1069176791.db2.gz XJNRDBJCPZEUSW-NLFFAJNJSA-N 1 2 475.081 3.754 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001306538721 1069185919 /nfs/dbraw/zinc/18/59/19/1069185919.db2.gz XZHMKBBZQDRRIX-SKPFHBQLSA-N 1 2 477.675 3.642 20 0 JHADLO CCOC(=O)C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC001310972651 1069236694 /nfs/dbraw/zinc/23/66/94/1069236694.db2.gz LWVMGAYRCPGZBP-GJZGRUSLSA-N 1 2 453.864 3.799 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306578462 1069244013 /nfs/dbraw/zinc/24/40/13/1069244013.db2.gz UDDDXHIIZDQKFP-AZUAARDMSA-N 1 2 487.649 3.721 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164657932 719350565 /nfs/dbraw/zinc/35/05/65/719350565.db2.gz AEZGCDIEJHGECY-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164657932 719350568 /nfs/dbraw/zinc/35/05/68/719350568.db2.gz AEZGCDIEJHGECY-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164658401 719352420 /nfs/dbraw/zinc/35/24/20/719352420.db2.gz GFSTTYAJJZOUKJ-UHFFFAOYSA-N 1 2 477.609 3.560 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164658401 719352422 /nfs/dbraw/zinc/35/24/22/719352422.db2.gz GFSTTYAJJZOUKJ-UHFFFAOYSA-N 1 2 477.609 3.560 20 0 JHADLO CCCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164659520 719354079 /nfs/dbraw/zinc/35/40/79/719354079.db2.gz QGTMYRNDKPWHSG-UHFFFAOYSA-N 1 2 458.610 3.916 20 0 JHADLO CCCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164659520 719354082 /nfs/dbraw/zinc/35/40/82/719354082.db2.gz QGTMYRNDKPWHSG-UHFFFAOYSA-N 1 2 458.610 3.916 20 0 JHADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164658951 719355161 /nfs/dbraw/zinc/35/51/61/719355161.db2.gz MVAQGFMULGUUAN-UHFFFAOYSA-N 1 2 474.609 3.910 20 0 JHADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164658951 719355163 /nfs/dbraw/zinc/35/51/63/719355163.db2.gz MVAQGFMULGUUAN-UHFFFAOYSA-N 1 2 474.609 3.910 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)Oc3cccc(Cl)n3)CC2)cc1 ZINC001164696372 719829838 /nfs/dbraw/zinc/82/98/38/719829838.db2.gz ITMLVJBZUHRWHL-QFIPXVFZSA-N 1 2 455.921 3.767 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccnc(Cl)n3)CC2)cc1 ZINC001164697498 719830165 /nfs/dbraw/zinc/83/01/65/719830165.db2.gz OMKDQVUMZWBQKU-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC001164698318 719830544 /nfs/dbraw/zinc/83/05/44/719830544.db2.gz UBLZRFYVVMAIQY-UHFFFAOYSA-N 1 2 488.926 3.588 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)cc1 ZINC001164695087 719830658 /nfs/dbraw/zinc/83/06/58/719830658.db2.gz AZCOWRGADCSLEL-UHFFFAOYSA-N 1 2 490.967 3.868 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164700679 719872676 /nfs/dbraw/zinc/87/26/76/719872676.db2.gz FKQIWMCPUKKELG-AVRDEDQJSA-N 1 2 480.943 3.575 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164707138 719873473 /nfs/dbraw/zinc/87/34/73/719873473.db2.gz QSLSYNDJMORJHJ-UTKZUKDTSA-N 1 2 453.917 3.666 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1 ZINC001164724610 720315584 /nfs/dbraw/zinc/31/55/84/720315584.db2.gz SBOVUJSLNJRCIN-INIZCTEOSA-N 1 2 470.040 3.842 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccc(C)cc5)nn4)CC3)C2=O)cs1 ZINC001164819707 720377654 /nfs/dbraw/zinc/37/76/54/720377654.db2.gz GPMKFXJBDXYTHN-UHFFFAOYSA-N 1 2 462.623 3.530 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccc(C)cc5)nn4)CC3)C2=O)cs1 ZINC001164819707 720377663 /nfs/dbraw/zinc/37/76/63/720377663.db2.gz GPMKFXJBDXYTHN-UHFFFAOYSA-N 1 2 462.623 3.530 20 0 JHADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)c1 ZINC001164821068 720377757 /nfs/dbraw/zinc/37/77/57/720377757.db2.gz WKHMZOXCWINPNC-UHFFFAOYSA-N 1 2 478.062 3.992 20 0 JHADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)c1 ZINC001164821068 720377761 /nfs/dbraw/zinc/37/77/61/720377761.db2.gz WKHMZOXCWINPNC-UHFFFAOYSA-N 1 2 478.062 3.992 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164832270 720463448 /nfs/dbraw/zinc/46/34/48/720463448.db2.gz SKGJWEIODOINIV-QGZVFWFLSA-N 1 2 491.970 3.619 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164830217 720472819 /nfs/dbraw/zinc/47/28/19/720472819.db2.gz JKMQBJGXZPHGTR-HXUWFJFHSA-N 1 2 490.633 3.544 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCCC(=O)N4)CC3)c2c1C ZINC001164836223 720733417 /nfs/dbraw/zinc/73/34/17/720733417.db2.gz CMYBBYPQKANXBN-UHFFFAOYSA-N 1 2 485.654 3.801 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164860835 720895954 /nfs/dbraw/zinc/89/59/54/720895954.db2.gz VBLNCDPJMOSOMW-UHFFFAOYSA-N 1 2 456.884 3.645 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164756507 720973789 /nfs/dbraw/zinc/97/37/89/720973789.db2.gz JNTUFJPBJHYKKW-FQEVSTJZSA-N 1 2 465.001 3.905 20 0 JHADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869571 721217855 /nfs/dbraw/zinc/21/78/55/721217855.db2.gz DBKGLLVRQBDTCI-UHFFFAOYSA-N 1 2 464.948 3.546 20 0 JHADLO O=S(=O)(Nc1ccc(F)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1)c1ccc(Cl)nc1 ZINC001164788305 721431274 /nfs/dbraw/zinc/43/12/74/721431274.db2.gz SVHOALUUMCDJDZ-GJZGRUSLSA-N 1 2 494.017 3.700 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001165008174 721713915 /nfs/dbraw/zinc/71/39/15/721713915.db2.gz CBOOUCLQVUHKDX-UHFFFAOYSA-N 1 2 451.909 3.777 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001165008174 721713922 /nfs/dbraw/zinc/71/39/22/721713922.db2.gz CBOOUCLQVUHKDX-UHFFFAOYSA-N 1 2 451.909 3.777 20 0 JHADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914007 721796310 /nfs/dbraw/zinc/79/63/10/721796310.db2.gz JTDSTWRGIHOZDQ-VWLOTQADSA-N 1 2 465.985 3.608 20 0 JHADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914007 721796312 /nfs/dbraw/zinc/79/63/12/721796312.db2.gz JTDSTWRGIHOZDQ-VWLOTQADSA-N 1 2 465.985 3.608 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914960 721797547 /nfs/dbraw/zinc/79/75/47/721797547.db2.gz SBJXHESWVHDWDH-AREMUKBSSA-N 1 2 480.012 3.917 20 0 JHADLO Cc1nc(-c2ccccc2Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914960 721797549 /nfs/dbraw/zinc/79/75/49/721797549.db2.gz SBJXHESWVHDWDH-AREMUKBSSA-N 1 2 480.012 3.917 20 0 JHADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164950402 721981596 /nfs/dbraw/zinc/98/15/96/721981596.db2.gz SMMXDOQKNHJKHP-UHFFFAOYSA-N 1 2 493.995 3.902 20 0 JHADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164950402 721981597 /nfs/dbraw/zinc/98/15/97/721981597.db2.gz SMMXDOQKNHJKHP-UHFFFAOYSA-N 1 2 493.995 3.902 20 0 JHADLO CS[C@@H]1CCCCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001311378320 1069351830 /nfs/dbraw/zinc/35/18/30/1069351830.db2.gz JVTWRMSNPQZNNA-JOCHJYFZSA-N 1 2 457.619 3.974 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001311422068 1069369092 /nfs/dbraw/zinc/36/90/92/1069369092.db2.gz YGAHJASAPIUNIE-SFHVURJKSA-N 1 2 456.509 3.542 20 0 JHADLO CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]1CCCC2 ZINC001311533497 1069426516 /nfs/dbraw/zinc/42/65/16/1069426516.db2.gz LSGBBZGWRQDHOK-CPJSRVTESA-N 1 2 457.619 3.908 20 0 JHADLO CCCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306693631 1069430222 /nfs/dbraw/zinc/43/02/22/1069430222.db2.gz AABKNOKIMISQJC-IBGZPJMESA-N 1 2 474.606 3.665 20 0 JHADLO CCCCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306693396 1069430349 /nfs/dbraw/zinc/43/03/49/1069430349.db2.gz HXIRBKXMUGKUAU-UHFFFAOYSA-N 1 2 455.632 3.540 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001311593802 1069455850 /nfs/dbraw/zinc/45/58/50/1069455850.db2.gz KGHXKCZSFLLSEQ-IGKIAQTJSA-N 1 2 451.611 3.666 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001311593802 1069455856 /nfs/dbraw/zinc/45/58/56/1069455856.db2.gz KGHXKCZSFLLSEQ-IGKIAQTJSA-N 1 2 451.611 3.666 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001306728833 1069476655 /nfs/dbraw/zinc/47/66/55/1069476655.db2.gz FHTXUVFIPNMUNW-RBBKRZOGSA-N 1 2 467.662 3.795 20 0 JHADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306739647 1069511912 /nfs/dbraw/zinc/51/19/12/1069511912.db2.gz XSMRYCDMQPUMCK-BJKOFHAPSA-N 1 2 482.673 3.608 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755495 1069533942 /nfs/dbraw/zinc/53/39/42/1069533942.db2.gz DAALAFKRBHTUON-MOPGFXCFSA-N 1 2 452.780 3.974 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755495 1069533946 /nfs/dbraw/zinc/53/39/46/1069533946.db2.gz DAALAFKRBHTUON-MOPGFXCFSA-N 1 2 452.780 3.974 20 0 JHADLO CC(C)C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836879 1069572169 /nfs/dbraw/zinc/57/21/69/1069572169.db2.gz FWXPFEAGRKXGJO-DENIHFKCSA-N 1 2 457.537 3.708 20 0 JHADLO CC(C)C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836879 1069572177 /nfs/dbraw/zinc/57/21/77/1069572177.db2.gz FWXPFEAGRKXGJO-DENIHFKCSA-N 1 2 457.537 3.708 20 0 JHADLO CCCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001306777018 1069572897 /nfs/dbraw/zinc/57/28/97/1069572897.db2.gz HBFBLVBUQLJLGG-UHFFFAOYSA-N 1 2 467.643 3.795 20 0 JHADLO CCCN(CC)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306801051 1069606337 /nfs/dbraw/zinc/60/63/37/1069606337.db2.gz XFOWEWMJQOCJKS-UHFFFAOYSA-N 1 2 454.550 3.512 20 0 JHADLO CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311954178 1069633152 /nfs/dbraw/zinc/63/31/52/1069633152.db2.gz PKWXTHLTNKNUPK-IBGZPJMESA-N 1 2 454.974 3.752 20 0 JHADLO CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001311954178 1069633157 /nfs/dbraw/zinc/63/31/57/1069633157.db2.gz PKWXTHLTNKNUPK-IBGZPJMESA-N 1 2 454.974 3.752 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953842 1069633197 /nfs/dbraw/zinc/63/31/97/1069633197.db2.gz NMXJFTYAKIDFQR-RTBURBONSA-N 1 2 454.974 3.706 20 0 JHADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001311953842 1069633203 /nfs/dbraw/zinc/63/32/03/1069633203.db2.gz NMXJFTYAKIDFQR-RTBURBONSA-N 1 2 454.974 3.706 20 0 JHADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001311974261 1069645050 /nfs/dbraw/zinc/64/50/50/1069645050.db2.gz YCZUVRVVIVIRCK-UGKGYDQZSA-N 1 2 453.587 3.736 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042481 1069688983 /nfs/dbraw/zinc/68/89/83/1069688983.db2.gz YSXOYPXLHQYLDR-FGZHOGPDSA-N 1 2 457.018 3.817 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)C2)cc1 ZINC001312042481 1069688995 /nfs/dbraw/zinc/68/89/95/1069688995.db2.gz YSXOYPXLHQYLDR-FGZHOGPDSA-N 1 2 457.018 3.817 20 0 JHADLO COC(=O)c1ncnc(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1OC ZINC001306954872 1069689136 /nfs/dbraw/zinc/68/91/36/1069689136.db2.gz YZCUUPIXUDZUHL-NRFANRHFSA-N 1 2 452.942 3.837 20 0 JHADLO COc1ccccc1[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001312044041 1069689809 /nfs/dbraw/zinc/68/98/09/1069689809.db2.gz ARJOVUTVAMIPSM-BJKOFHAPSA-N 1 2 451.611 3.918 20 0 JHADLO CCCN(CCC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001307003863 1069699018 /nfs/dbraw/zinc/69/90/18/1069699018.db2.gz FDURAWZBGMOYTR-QHCPKHFHSA-N 1 2 451.619 3.687 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001312096424 1069718580 /nfs/dbraw/zinc/71/85/80/1069718580.db2.gz AQHNQAUDOQRDHL-UHFFFAOYSA-N 1 2 459.635 3.668 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC001314182781 1069729668 /nfs/dbraw/zinc/72/96/68/1069729668.db2.gz JUQSPSGXELOTHN-HXUWFJFHSA-N 1 2 465.602 3.534 20 0 JHADLO CCOc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314186555 1069740282 /nfs/dbraw/zinc/74/02/82/1069740282.db2.gz UJRJBBJVTAITEE-TUACAJSNSA-N 1 2 485.673 3.953 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314196405 1069772761 /nfs/dbraw/zinc/77/27/61/1069772761.db2.gz YODXVLFQHYZILO-LEWJYISDSA-N 1 2 457.619 3.774 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314196405 1069772768 /nfs/dbraw/zinc/77/27/68/1069772768.db2.gz YODXVLFQHYZILO-LEWJYISDSA-N 1 2 457.619 3.774 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001312316003 1069858387 /nfs/dbraw/zinc/85/83/87/1069858387.db2.gz MVXBEYFXCIUQOI-UZLBHIALSA-N 1 2 455.921 3.601 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC001312316002 1069858517 /nfs/dbraw/zinc/85/85/17/1069858517.db2.gz MVXBEYFXCIUQOI-OXQOHEQNSA-N 1 2 455.921 3.601 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314226533 1069897266 /nfs/dbraw/zinc/89/72/66/1069897266.db2.gz SOSVORCZPSRHMO-GOSISDBHSA-N 1 2 468.627 3.707 20 0 JHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001307412429 1069971530 /nfs/dbraw/zinc/97/15/30/1069971530.db2.gz FQPHKNMUVSSJCF-XZOQPEGZSA-N 1 2 458.002 3.922 20 0 JHADLO COc1cccc(C[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC001307430913 1069981359 /nfs/dbraw/zinc/98/13/59/1069981359.db2.gz AEUALRXTBZAZBR-QHCPKHFHSA-N 1 2 452.530 3.948 20 0 JHADLO COc1cccc(C[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC001307430913 1069981367 /nfs/dbraw/zinc/98/13/67/1069981367.db2.gz AEUALRXTBZAZBR-QHCPKHFHSA-N 1 2 452.530 3.948 20 0 JHADLO COc1cccc(C[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC001307430912 1069981380 /nfs/dbraw/zinc/98/13/80/1069981380.db2.gz AEUALRXTBZAZBR-HSZRJFAPSA-N 1 2 452.530 3.948 20 0 JHADLO COc1cccc(C[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC001307430912 1069981391 /nfs/dbraw/zinc/98/13/91/1069981391.db2.gz AEUALRXTBZAZBR-HSZRJFAPSA-N 1 2 452.530 3.948 20 0 JHADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001312521632 1069988535 /nfs/dbraw/zinc/98/85/35/1069988535.db2.gz YCSVZGWGIORCRK-HBGVWJBISA-N 1 2 450.421 3.665 20 0 JHADLO CCOC(=O)Nc1ccc2c(C[NH+]3CCN(Cc4ccc(Cl)nc4)CC3)cc(=O)oc2c1 ZINC001307475214 1070006108 /nfs/dbraw/zinc/00/61/08/1070006108.db2.gz SHEHTWIQVYIKRN-UHFFFAOYSA-N 1 2 456.930 3.728 20 0 JHADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)sc2c1CCCC2 ZINC001307523064 1070032554 /nfs/dbraw/zinc/03/25/54/1070032554.db2.gz FWJXPIMGRRFOAM-LJQANCHMSA-N 1 2 458.628 3.507 20 0 JHADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)sc2c1CCCC2 ZINC001307523064 1070032566 /nfs/dbraw/zinc/03/25/66/1070032566.db2.gz FWJXPIMGRRFOAM-LJQANCHMSA-N 1 2 458.628 3.507 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307528589 1070036923 /nfs/dbraw/zinc/03/69/23/1070036923.db2.gz ILVAOLUJPDGUAR-BBRMVZONSA-N 1 2 453.605 3.715 20 0 JHADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307528589 1070036942 /nfs/dbraw/zinc/03/69/42/1070036942.db2.gz ILVAOLUJPDGUAR-BBRMVZONSA-N 1 2 453.605 3.715 20 0 JHADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC001307565939 1070054812 /nfs/dbraw/zinc/05/48/12/1070054812.db2.gz DTFIWVSCWTWRRG-UHFFFAOYSA-N 1 2 451.539 3.598 20 0 JHADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC001307565939 1070054826 /nfs/dbraw/zinc/05/48/26/1070054826.db2.gz DTFIWVSCWTWRRG-UHFFFAOYSA-N 1 2 451.539 3.598 20 0 JHADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC001307566168 1070055251 /nfs/dbraw/zinc/05/52/51/1070055251.db2.gz KTUPGTVCLLWAHG-MRXNPFEDSA-N 1 2 455.584 3.607 20 0 JHADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC001307566168 1070055260 /nfs/dbraw/zinc/05/52/60/1070055260.db2.gz KTUPGTVCLLWAHG-MRXNPFEDSA-N 1 2 455.584 3.607 20 0 JHADLO Nc1ccc(F)c(NC(=O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1 ZINC001307565451 1070055336 /nfs/dbraw/zinc/05/53/36/1070055336.db2.gz CLZYUPCQSULGBH-UHFFFAOYSA-N 1 2 455.921 3.926 20 0 JHADLO Nc1ccc(F)c(NC(=O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1 ZINC001307565451 1070055348 /nfs/dbraw/zinc/05/53/48/1070055348.db2.gz CLZYUPCQSULGBH-UHFFFAOYSA-N 1 2 455.921 3.926 20 0 JHADLO COc1cc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581106 1070062992 /nfs/dbraw/zinc/06/29/92/1070062992.db2.gz KFJKCBVPDMXFSU-WMLDXEAASA-N 1 2 454.976 3.572 20 0 JHADLO COc1cc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(OC)cc1Cl ZINC001307581106 1070063007 /nfs/dbraw/zinc/06/30/07/1070063007.db2.gz KFJKCBVPDMXFSU-WMLDXEAASA-N 1 2 454.976 3.572 20 0 JHADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccccc1 ZINC001307617383 1070083057 /nfs/dbraw/zinc/08/30/57/1070083057.db2.gz QQNJGYIAPHHLHO-HXUWFJFHSA-N 1 2 454.514 3.572 20 0 JHADLO CCOCc1nnc(N2CCC(C)(COC)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314332309 1070126292 /nfs/dbraw/zinc/12/62/92/1070126292.db2.gz YWTROMYEHNHQNK-UHFFFAOYSA-N 1 2 456.635 3.891 20 0 JHADLO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC001307697123 1070133526 /nfs/dbraw/zinc/13/35/26/1070133526.db2.gz XEALSQQRBVGZGW-WMZOPIPTSA-N 1 2 459.384 3.973 20 0 JHADLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001307712829 1070140502 /nfs/dbraw/zinc/14/05/02/1070140502.db2.gz METNPLIRRXTWLY-INIZCTEOSA-N 1 2 458.422 3.602 20 0 JHADLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001307712829 1070140507 /nfs/dbraw/zinc/14/05/07/1070140507.db2.gz METNPLIRRXTWLY-INIZCTEOSA-N 1 2 458.422 3.602 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307726706 1070151446 /nfs/dbraw/zinc/15/14/46/1070151446.db2.gz HXALJESCVSMEMJ-HXOBKFHXSA-N 1 2 458.580 3.739 20 0 JHADLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)S(C)(=O)=O)cc1 ZINC001307727667 1070153237 /nfs/dbraw/zinc/15/32/37/1070153237.db2.gz WGYCICGCPLANQQ-QRWLVFNGSA-N 1 2 453.402 3.768 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001312851536 1070155985 /nfs/dbraw/zinc/15/59/85/1070155985.db2.gz VFJSHFKDLWUNRN-HSZRJFAPSA-N 1 2 454.546 3.625 20 0 JHADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733156 1070157010 /nfs/dbraw/zinc/15/70/10/1070157010.db2.gz HKAACJKTWVTDNI-IFMALSPDSA-N 1 2 458.624 3.739 20 0 JHADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)C1 ZINC001307733156 1070157020 /nfs/dbraw/zinc/15/70/20/1070157020.db2.gz HKAACJKTWVTDNI-IFMALSPDSA-N 1 2 458.624 3.739 20 0 JHADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC001307756279 1070168340 /nfs/dbraw/zinc/16/83/40/1070168340.db2.gz ANVZKEFEHIAJQZ-TZIWHRDSSA-N 1 2 452.498 3.650 20 0 JHADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC001307756279 1070168351 /nfs/dbraw/zinc/16/83/51/1070168351.db2.gz ANVZKEFEHIAJQZ-TZIWHRDSSA-N 1 2 452.498 3.650 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC001307759211 1070170277 /nfs/dbraw/zinc/17/02/77/1070170277.db2.gz YTERSBUEXVBSTM-UHFFFAOYSA-N 1 2 451.489 3.740 20 0 JHADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC001307759211 1070170292 /nfs/dbraw/zinc/17/02/92/1070170292.db2.gz YTERSBUEXVBSTM-UHFFFAOYSA-N 1 2 451.489 3.740 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758797 1070170342 /nfs/dbraw/zinc/17/03/42/1070170342.db2.gz UJQKAOHUYTYNAF-KSSFIOAISA-N 1 2 453.436 3.509 20 0 JHADLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758797 1070170348 /nfs/dbraw/zinc/17/03/48/1070170348.db2.gz UJQKAOHUYTYNAF-KSSFIOAISA-N 1 2 453.436 3.509 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(C)cc1SC ZINC001314355633 1070177035 /nfs/dbraw/zinc/17/70/35/1070177035.db2.gz MSMDONCZLPDDJG-UHFFFAOYSA-N 1 2 452.628 3.917 20 0 JHADLO COC(=O)c1cccc(C[NH+]2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c1 ZINC001307787714 1070181921 /nfs/dbraw/zinc/18/19/21/1070181921.db2.gz ABDGQCWZCVFFAC-AREMUKBSSA-N 1 2 457.574 3.649 20 0 JHADLO O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001312942199 1070191129 /nfs/dbraw/zinc/19/11/29/1070191129.db2.gz DBEGQKFXQPQFJM-UHFFFAOYSA-N 1 2 454.477 3.952 20 0 JHADLO CCOCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314369932 1070206726 /nfs/dbraw/zinc/20/67/26/1070206726.db2.gz UADPZWNEADCBQP-XLIONFOSSA-N 1 2 492.615 3.527 20 0 JHADLO CCOC(=O)c1csc(C[NH+]2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)n1 ZINC001307839591 1070207345 /nfs/dbraw/zinc/20/73/45/1070207345.db2.gz IGTYVDQSVMRCBE-AEFFLSMTSA-N 1 2 453.605 3.604 20 0 JHADLO CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314374416 1070213235 /nfs/dbraw/zinc/21/32/35/1070213235.db2.gz HYWVSVSHAKELQO-JOCHJYFZSA-N 1 2 456.635 3.891 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001307859877 1070214011 /nfs/dbraw/zinc/21/40/11/1070214011.db2.gz HNICOEYVYDHEOB-AFAVFJNCSA-N 1 2 467.310 3.943 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001307859877 1070214022 /nfs/dbraw/zinc/21/40/22/1070214022.db2.gz HNICOEYVYDHEOB-AFAVFJNCSA-N 1 2 467.310 3.943 20 0 JHADLO CCOCc1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314387155 1070234740 /nfs/dbraw/zinc/23/47/40/1070234740.db2.gz IEMLYOALIYYZKX-UHFFFAOYSA-N 1 2 468.577 3.625 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC001313067952 1070239820 /nfs/dbraw/zinc/23/98/20/1070239820.db2.gz SUKLHUKPXDRVET-JOCHJYFZSA-N 1 2 452.603 3.510 20 0 JHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001307929290 1070247247 /nfs/dbraw/zinc/24/72/47/1070247247.db2.gz LKJXONOZFKDHRK-BULFRSBZSA-N 1 2 458.400 3.670 20 0 JHADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001307929290 1070247259 /nfs/dbraw/zinc/24/72/59/1070247259.db2.gz LKJXONOZFKDHRK-BULFRSBZSA-N 1 2 458.400 3.670 20 0 JHADLO O=C(N[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947676 1070254837 /nfs/dbraw/zinc/25/48/37/1070254837.db2.gz RXYULSUOCAUMPY-VSKRKVRLSA-N 1 2 459.512 3.714 20 0 JHADLO O=C(N[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001307947676 1070254852 /nfs/dbraw/zinc/25/48/52/1070254852.db2.gz RXYULSUOCAUMPY-VSKRKVRLSA-N 1 2 459.512 3.714 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001314396821 1070256609 /nfs/dbraw/zinc/25/66/09/1070256609.db2.gz OMRHXLIATUJJEK-QGZVFWFLSA-N 1 2 474.606 3.508 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001307970487 1070264039 /nfs/dbraw/zinc/26/40/39/1070264039.db2.gz UHNASBXAYUPWLH-LBPRGKRZSA-N 1 2 459.715 3.834 20 0 JHADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001307970487 1070264051 /nfs/dbraw/zinc/26/40/51/1070264051.db2.gz UHNASBXAYUPWLH-LBPRGKRZSA-N 1 2 459.715 3.834 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170310 1070278765 /nfs/dbraw/zinc/27/87/65/1070278765.db2.gz XRKKFGVYYGQQJU-KRWDZBQOSA-N 1 2 452.418 3.562 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170310 1070278777 /nfs/dbraw/zinc/27/87/77/1070278777.db2.gz XRKKFGVYYGQQJU-KRWDZBQOSA-N 1 2 452.418 3.562 20 0 JHADLO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013973 1070279893 /nfs/dbraw/zinc/27/98/93/1070279893.db2.gz GZTJLKNMJNIURB-VOQZNFBZSA-N 1 2 464.570 3.725 20 0 JHADLO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013973 1070279908 /nfs/dbraw/zinc/27/99/08/1070279908.db2.gz GZTJLKNMJNIURB-VOQZNFBZSA-N 1 2 464.570 3.725 20 0 JHADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001313177909 1070282914 /nfs/dbraw/zinc/28/29/14/1070282914.db2.gz BHHVCRCQTBRVEK-KKYITRMCSA-N 1 2 455.624 3.684 20 0 JHADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001313177909 1070282919 /nfs/dbraw/zinc/28/29/19/1070282919.db2.gz BHHVCRCQTBRVEK-KKYITRMCSA-N 1 2 455.624 3.684 20 0 JHADLO CCOC(=O)[C@@]1(F)C[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1CC ZINC001308065414 1070300114 /nfs/dbraw/zinc/30/01/14/1070300114.db2.gz NYIHWANXHSYBRF-UQASEVPWSA-N 1 2 455.368 3.866 20 0 JHADLO CCOC(=O)[C@@]1(F)C[N@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1CC ZINC001308065414 1070300131 /nfs/dbraw/zinc/30/01/31/1070300131.db2.gz NYIHWANXHSYBRF-UQASEVPWSA-N 1 2 455.368 3.866 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001308067905 1070300896 /nfs/dbraw/zinc/30/08/96/1070300896.db2.gz RVXNTRSXCXUFQE-CYBMUJFWSA-N 1 2 451.399 3.992 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001308067905 1070300911 /nfs/dbraw/zinc/30/09/11/1070300911.db2.gz RVXNTRSXCXUFQE-CYBMUJFWSA-N 1 2 451.399 3.992 20 0 JHADLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](CO)C1 ZINC001308066928 1070301060 /nfs/dbraw/zinc/30/10/60/1070301060.db2.gz DYGJZNICJMQGBC-LJQANCHMSA-N 1 2 455.555 3.721 20 0 JHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](CO)C1 ZINC001308066928 1070301080 /nfs/dbraw/zinc/30/10/80/1070301080.db2.gz DYGJZNICJMQGBC-LJQANCHMSA-N 1 2 455.555 3.721 20 0 JHADLO CCOC[C@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2c[nH+]ccc2OC)C1 ZINC001314425864 1070303054 /nfs/dbraw/zinc/30/30/54/1070303054.db2.gz DKPJCJBEQFPASV-SFHVURJKSA-N 1 2 455.534 3.701 20 0 JHADLO COc1cccc2[nH]cc(CCNC(=O)N(Cc3ccccc3)[C@H](C)C[NH+]3CCOCC3)c21 ZINC001313279625 1070314650 /nfs/dbraw/zinc/31/46/50/1070314650.db2.gz YWMYNPAOOYHZCQ-HXUWFJFHSA-N 1 2 450.583 3.652 20 0 JHADLO C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001308107861 1070315199 /nfs/dbraw/zinc/31/51/99/1070315199.db2.gz ZWAAYVXTUNKTJO-GOSISDBHSA-N 1 2 454.571 3.840 20 0 JHADLO C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001308107861 1070315218 /nfs/dbraw/zinc/31/52/18/1070315218.db2.gz ZWAAYVXTUNKTJO-GOSISDBHSA-N 1 2 454.571 3.840 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001308111771 1070316515 /nfs/dbraw/zinc/31/65/15/1070316515.db2.gz WPUXAOGYKLDXNX-MBSDFSHPSA-N 1 2 452.617 3.628 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001308111771 1070316533 /nfs/dbraw/zinc/31/65/33/1070316533.db2.gz WPUXAOGYKLDXNX-MBSDFSHPSA-N 1 2 452.617 3.628 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001313307301 1070322106 /nfs/dbraw/zinc/32/21/06/1070322106.db2.gz OVDDGTDARJEUCE-XUZZJYLKSA-N 1 2 471.552 3.580 20 0 JHADLO O=C(C[NH+]1CCC([C@@H]2COC(=O)N2)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC001308125065 1070322943 /nfs/dbraw/zinc/32/29/43/1070322943.db2.gz OCYJTJDDYULTLV-HNNXBMFYSA-N 1 2 455.367 3.876 20 0 JHADLO CCOC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314437187 1070325063 /nfs/dbraw/zinc/32/50/63/1070325063.db2.gz VHUBGYMGVRCMBR-INIZCTEOSA-N 1 2 459.497 3.861 20 0 JHADLO CC(C)(C)OC(=O)NOCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001313347983 1070334267 /nfs/dbraw/zinc/33/42/67/1070334267.db2.gz DCEMQXLJSRZHAS-UHFFFAOYSA-N 1 2 451.955 3.595 20 0 JHADLO CCc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C2 ZINC001308170223 1070334734 /nfs/dbraw/zinc/33/47/34/1070334734.db2.gz JVSDBQCYHUJECN-OAHLLOKOSA-N 1 2 450.004 3.538 20 0 JHADLO CCc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C2 ZINC001308170223 1070334749 /nfs/dbraw/zinc/33/47/49/1070334749.db2.gz JVSDBQCYHUJECN-OAHLLOKOSA-N 1 2 450.004 3.538 20 0 JHADLO COc1ccc(NC(=O)c2nnc(C[NH2+][C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)s2)cc1 ZINC001308178756 1070337121 /nfs/dbraw/zinc/33/71/21/1070337121.db2.gz YDOXPUFLOKKIEO-HXOBKFHXSA-N 1 2 473.599 3.821 20 0 JHADLO O=C1C[C@@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC001308296159 1070352770 /nfs/dbraw/zinc/35/27/70/1070352770.db2.gz BFYOOJZYJTXYRZ-CQSZACIVSA-N 1 2 453.827 3.974 20 0 JHADLO Fc1cncc(Br)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC001308321014 1070355853 /nfs/dbraw/zinc/35/58/53/1070355853.db2.gz KJRCFUSYDPOAGU-UHFFFAOYSA-N 1 2 459.157 3.872 20 0 JHADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC001308570074 1070391990 /nfs/dbraw/zinc/39/19/90/1070391990.db2.gz NRXPLJNVTJXJHV-UHFFFAOYSA-N 1 2 456.033 3.566 20 0 JHADLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC001308573692 1070392721 /nfs/dbraw/zinc/39/27/21/1070392721.db2.gz RCJQIJSMDTVJLK-UHFFFAOYSA-N 1 2 450.457 3.778 20 0 JHADLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC001308573692 1070392736 /nfs/dbraw/zinc/39/27/36/1070392736.db2.gz RCJQIJSMDTVJLK-UHFFFAOYSA-N 1 2 450.457 3.778 20 0 JHADLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1Cn1cccn1 ZINC001308606421 1070400054 /nfs/dbraw/zinc/40/00/54/1070400054.db2.gz WDJSUMCXNUXKCN-UHFFFAOYSA-N 1 2 458.484 3.917 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001313468740 1070449621 /nfs/dbraw/zinc/44/96/21/1070449621.db2.gz PPLNCEWWHHMLQP-UHFFFAOYSA-N 1 2 453.635 3.578 20 0 JHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922859 1070459836 /nfs/dbraw/zinc/45/98/36/1070459836.db2.gz ZOTVRZZYJKFFEH-UONOGXRCSA-N 1 2 459.559 3.893 20 0 JHADLO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 ZINC001308922859 1070459843 /nfs/dbraw/zinc/45/98/43/1070459843.db2.gz ZOTVRZZYJKFFEH-UONOGXRCSA-N 1 2 459.559 3.893 20 0 JHADLO Cc1ccc(S(=O)(=O)C2CC[NH+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)CC2)cc1 ZINC001308929140 1070461520 /nfs/dbraw/zinc/46/15/20/1070461520.db2.gz OLHUMDRLHVGAMK-GOSISDBHSA-N 1 2 452.617 3.605 20 0 JHADLO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314512715 1070476222 /nfs/dbraw/zinc/47/62/22/1070476222.db2.gz KWDQKFHFRQVEDY-KRWDZBQOSA-N 1 2 487.029 3.748 20 0 JHADLO CCCOc1ccc(-c2nnc(N3CCO[C@H](CC)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001313502376 1070528394 /nfs/dbraw/zinc/52/83/94/1070528394.db2.gz AQVDYAIHAZDKHS-HXUWFJFHSA-N 1 2 467.570 3.810 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2cccc[nH+]2)C1 ZINC001314592286 1070624630 /nfs/dbraw/zinc/62/46/30/1070624630.db2.gz PGOCGJGDPQOJOO-LJQANCHMSA-N 1 2 480.642 3.935 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001314604358 1070659924 /nfs/dbraw/zinc/65/99/24/1070659924.db2.gz QZXQOOGPGCEEKM-OTWHNJEPSA-N 1 2 497.756 3.657 20 0 JHADLO CC[C@@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309282511 1070666938 /nfs/dbraw/zinc/66/69/38/1070666938.db2.gz LVGNDAOENOZFPA-JWQCQUIFSA-N 1 2 456.608 3.581 20 0 JHADLO CC[C@@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309282511 1070666941 /nfs/dbraw/zinc/66/69/41/1070666941.db2.gz LVGNDAOENOZFPA-JWQCQUIFSA-N 1 2 456.608 3.581 20 0 JHADLO CCSCCCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001314614079 1070682379 /nfs/dbraw/zinc/68/23/79/1070682379.db2.gz JJFDMGVTCPJLMG-FQEVSTJZSA-N 1 2 470.687 3.658 20 0 JHADLO CCOc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC001309304471 1070684584 /nfs/dbraw/zinc/68/45/84/1070684584.db2.gz KMPLBMVPPBDSIL-UHFFFAOYSA-N 1 2 453.402 3.791 20 0 JHADLO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC001313584679 1070708821 /nfs/dbraw/zinc/70/88/21/1070708821.db2.gz MHTKLUDOQBNLFJ-HXUWFJFHSA-N 1 2 461.657 3.948 20 0 JHADLO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001313603059 1070726447 /nfs/dbraw/zinc/72/64/47/1070726447.db2.gz QNNCMTWEPHMIFC-KRWDZBQOSA-N 1 2 456.591 3.833 20 0 JHADLO COc1cc(Br)cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC001309391715 1070741175 /nfs/dbraw/zinc/74/11/75/1070741175.db2.gz RLSRZFODQYDGQZ-UHFFFAOYSA-N 1 2 454.390 3.712 20 0 JHADLO CN(C)c1ccc(Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2ncc(Cl)n2C)c[nH+]1 ZINC001314658754 1070780086 /nfs/dbraw/zinc/78/00/86/1070780086.db2.gz IPABQTPGUWOYSY-UHFFFAOYSA-N 1 2 484.967 3.529 20 0 JHADLO CN(C)c1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CC2)c[nH+]1 ZINC001314662143 1070788257 /nfs/dbraw/zinc/78/82/57/1070788257.db2.gz ZQGQEEOXBOSBPL-UHFFFAOYSA-N 1 2 455.607 3.501 20 0 JHADLO CN(C)c1ccc(Cn2c(C3CC3)nnc2N(CCO)Cc2cc(Br)ccc2F)c[nH+]1 ZINC001314662152 1070788347 /nfs/dbraw/zinc/78/83/47/1070788347.db2.gz ZVGVHFCIFOANBG-UHFFFAOYSA-N 1 2 489.393 3.565 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001314661246 1070785770 /nfs/dbraw/zinc/78/57/70/1070785770.db2.gz PBKIANIFELFEPU-GOSISDBHSA-N 1 2 481.576 3.697 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1CC1CCN(CC(F)(F)F)CC1)C2 ZINC001314664421 1070794697 /nfs/dbraw/zinc/79/46/97/1070794697.db2.gz TUYGKKGNDYPNIC-UHFFFAOYSA-N 1 2 479.595 3.874 20 0 JHADLO Cn1cnc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1Cl ZINC001309493962 1070808938 /nfs/dbraw/zinc/80/89/38/1070808938.db2.gz PYEWBABSXHJKTB-CYBMUJFWSA-N 1 2 459.321 3.631 20 0 JHADLO Cn1cnc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1Cl ZINC001309493962 1070808968 /nfs/dbraw/zinc/80/89/68/1070808968.db2.gz PYEWBABSXHJKTB-CYBMUJFWSA-N 1 2 459.321 3.631 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001313648732 1070817776 /nfs/dbraw/zinc/81/77/76/1070817776.db2.gz WMXGAYGPVCCMKC-SFHVURJKSA-N 1 2 499.660 3.643 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 ZINC001313648063 1070815014 /nfs/dbraw/zinc/81/50/14/1070815014.db2.gz UZOBVNAIVGKKLD-QFIPXVFZSA-N 1 2 494.640 3.613 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C\c2ccccc2)CC1 ZINC001313648575 1070816990 /nfs/dbraw/zinc/81/69/90/1070816990.db2.gz QTWUFERMOZDETQ-FLIBITNWSA-N 1 2 494.043 3.697 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1OCCC1(C)C ZINC001314712254 1070896389 /nfs/dbraw/zinc/89/63/89/1070896389.db2.gz JIFONPBVLOKHIS-AZUAARDMSA-N 1 2 461.676 3.962 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c[nH+]1 ZINC001313672867 1070905595 /nfs/dbraw/zinc/90/55/95/1070905595.db2.gz HZEQFRBNVQVCNZ-QGZVFWFLSA-N 1 2 453.557 3.764 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c[nH+]1 ZINC001313672864 1070905855 /nfs/dbraw/zinc/90/58/55/1070905855.db2.gz HZEQFRBNVQVCNZ-KRWDZBQOSA-N 1 2 453.557 3.764 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)c[nH+]1 ZINC001313676613 1070921969 /nfs/dbraw/zinc/92/19/69/1070921969.db2.gz AEGXROIGDZUSEZ-FQEVSTJZSA-N 1 2 461.614 3.635 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CCCO)CC2)c[nH+]1 ZINC001313678197 1070928504 /nfs/dbraw/zinc/92/85/04/1070928504.db2.gz BXOZHMPZHOGEAI-UHFFFAOYSA-N 1 2 463.630 3.927 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313677553 1070926087 /nfs/dbraw/zinc/92/60/87/1070926087.db2.gz SXUIKUNVLVCSAY-OAQYLSRUSA-N 1 2 492.628 3.733 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccccc2)c[nH+]1 ZINC001313678550 1070930068 /nfs/dbraw/zinc/93/00/68/1070930068.db2.gz CRIOETHWRGFHCT-SIKLNZKXSA-N 1 2 482.654 3.667 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)c[nH+]1 ZINC001313680543 1070939163 /nfs/dbraw/zinc/93/91/63/1070939163.db2.gz VIKGXAIUHSINFP-NRFANRHFSA-N 1 2 458.651 3.786 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCSC(C)(C)C2)c[nH+]1 ZINC001313680929 1070939706 /nfs/dbraw/zinc/93/97/06/1070939706.db2.gz YRDMBGLXLBMTQL-UHFFFAOYSA-N 1 2 451.644 3.885 20 0 JHADLO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001313687802 1070946915 /nfs/dbraw/zinc/94/69/15/1070946915.db2.gz CWNLLOQLLFFWAZ-JOCHJYFZSA-N 1 2 495.628 3.726 20 0 JHADLO CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001313691946 1070952680 /nfs/dbraw/zinc/95/26/80/1070952680.db2.gz COUQTLMFIWMUKW-UHFFFAOYSA-N 1 2 467.643 3.795 20 0 JHADLO CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001314771554 1071035739 /nfs/dbraw/zinc/03/57/39/1071035739.db2.gz HHTVRGHOOCWACF-NRFANRHFSA-N 1 2 454.644 3.861 20 0 JHADLO CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001314771554 1071035746 /nfs/dbraw/zinc/03/57/46/1071035746.db2.gz HHTVRGHOOCWACF-NRFANRHFSA-N 1 2 454.644 3.861 20 0 JHADLO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001310022696 1071067141 /nfs/dbraw/zinc/06/71/41/1071067141.db2.gz JWKGYCQDPLNVIW-JOCHJYFZSA-N 1 2 455.584 3.867 20 0 JHADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001310035337 1071074992 /nfs/dbraw/zinc/07/49/92/1071074992.db2.gz YCYMMSYRLHPHRL-GHTZIAJQSA-N 1 2 457.644 3.976 20 0 JHADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001310035337 1071075008 /nfs/dbraw/zinc/07/50/08/1071075008.db2.gz YCYMMSYRLHPHRL-GHTZIAJQSA-N 1 2 457.644 3.976 20 0 JHADLO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001313781542 1071146168 /nfs/dbraw/zinc/14/61/68/1071146168.db2.gz RDPXFJHGYMGTOM-SIKLNZKXSA-N 1 2 470.568 3.850 20 0 JHADLO CCN(CCc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313789158 1071178288 /nfs/dbraw/zinc/17/82/88/1071178288.db2.gz JCLZBHIDUYGWQO-UHFFFAOYSA-N 1 2 476.610 3.565 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C ZINC001310181561 1071187153 /nfs/dbraw/zinc/18/71/53/1071187153.db2.gz IRPCUWQBJZJXPY-UHFFFAOYSA-N 1 2 453.587 3.627 20 0 JHADLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2Cl)n1 ZINC001310231079 1071224187 /nfs/dbraw/zinc/22/41/87/1071224187.db2.gz VFEVIOFFGLGBRH-WBVHZDCISA-N 1 2 455.950 3.686 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)CC1 ZINC001310238226 1071227666 /nfs/dbraw/zinc/22/76/66/1071227666.db2.gz RFDLHWRUJJBSIW-UHFFFAOYSA-N 1 2 450.630 3.724 20 0 JHADLO COc1ccc(C2=NO[C@@H](CNC(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)C2)cc1C ZINC001310289441 1071273377 /nfs/dbraw/zinc/27/33/77/1071273377.db2.gz CIXRFEYIQQICSH-PGRDOPGGSA-N 1 2 452.555 3.712 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001314870591 1071282009 /nfs/dbraw/zinc/28/20/09/1071282009.db2.gz RODHYKLHTUUVCQ-UHFFFAOYSA-N 1 2 450.587 3.580 20 0 JHADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CCC1 ZINC001314871623 1071284169 /nfs/dbraw/zinc/28/41/69/1071284169.db2.gz JWMCNBFRBFRMEM-XIFFEERXSA-N 1 2 498.068 3.586 20 0 JHADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CCC1 ZINC001314871623 1071284172 /nfs/dbraw/zinc/28/41/72/1071284172.db2.gz JWMCNBFRBFRMEM-XIFFEERXSA-N 1 2 498.068 3.586 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC1(C)C ZINC001314874166 1071291388 /nfs/dbraw/zinc/29/13/88/1071291388.db2.gz OMRXCQBVNIJQDP-NRFANRHFSA-N 1 2 455.647 3.969 20 0 JHADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001313824668 1071292295 /nfs/dbraw/zinc/29/22/95/1071292295.db2.gz JROWJVQAGNEMJH-UHFFFAOYSA-N 1 2 482.654 3.558 20 0 JHADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001310347896 1071329276 /nfs/dbraw/zinc/32/92/76/1071329276.db2.gz ZAALYEWACQVMGI-HXUWFJFHSA-N 1 2 452.555 3.706 20 0 JHADLO COC(=O)C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(C(C)(C)C)cc1 ZINC001310417216 1071378236 /nfs/dbraw/zinc/37/82/36/1071378236.db2.gz BCOYCMYRRIHTLD-OAQYLSRUSA-N 1 2 454.571 3.950 20 0 JHADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001314945240 1071402039 /nfs/dbraw/zinc/40/20/39/1071402039.db2.gz IKMAKYRJRYDRRA-FQEVSTJZSA-N 1 2 491.640 3.596 20 0 JHADLO CCOC1CC(CNC(=O)Nc2ccc(Oc3ccccc3)cc2OC)([NH+]2CCOCC2)C1 ZINC001310459501 1071402942 /nfs/dbraw/zinc/40/29/42/1071402942.db2.gz TYDJNRRBAPOJCU-UHFFFAOYSA-N 1 2 455.555 3.879 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001314959654 1071432847 /nfs/dbraw/zinc/43/28/47/1071432847.db2.gz ZMCLVNKTQQTNRY-HXUWFJFHSA-N 1 2 493.631 3.506 20 0 JHADLO CCN1C[C@@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)Oc2ccccc21 ZINC001313875443 1071434686 /nfs/dbraw/zinc/43/46/86/1071434686.db2.gz HZFFMRMUBIMULC-OAQYLSRUSA-N 1 2 463.630 3.710 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313926516 1071576761 /nfs/dbraw/zinc/57/67/61/1071576761.db2.gz DDPBSYNOBJTOPW-HOFKKMOUSA-N 1 2 484.689 3.587 20 0 JHADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001313930448 1071589303 /nfs/dbraw/zinc/58/93/03/1071589303.db2.gz COGRKZTTWQTRSY-ZDUSSCGKSA-N 1 2 493.841 3.561 20 0 JHADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001313930448 1071589312 /nfs/dbraw/zinc/58/93/12/1071589312.db2.gz COGRKZTTWQTRSY-ZDUSSCGKSA-N 1 2 493.841 3.561 20 0 JHADLO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314027009 1071790696 /nfs/dbraw/zinc/79/06/96/1071790696.db2.gz XZLFCWAZMBRCEJ-FQEVSTJZSA-N 1 2 495.603 3.967 20 0 JHADLO CCO[C@]1(c2nnc(N3C[C@@H](C)C[C@H]3CC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCOC1 ZINC001314096465 1071976981 /nfs/dbraw/zinc/97/69/81/1071976981.db2.gz RFFSNTYSYKYAEG-PIBDYAPNSA-N 1 2 456.635 3.845 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305976147 1068314786 /nfs/dbraw/zinc/31/47/86/1068314786.db2.gz CGXPAPAPKOLEJB-GOSISDBHSA-N 1 2 470.643 3.542 20 0 JHADLO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001306145106 1068547898 /nfs/dbraw/zinc/54/78/98/1068547898.db2.gz WZDUIXUHOVJIBJ-FQEVSTJZSA-N 1 2 469.634 3.768 20 0 JHADLO CCc1nnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001306196384 1068588113 /nfs/dbraw/zinc/58/81/13/1068588113.db2.gz YDXMIQGOSDGSPH-QGZVFWFLSA-N 1 2 490.599 3.869 20 0 JHADLO CC[C@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c[nH+]ccc1OC ZINC001306346036 1068783056 /nfs/dbraw/zinc/78/30/56/1068783056.db2.gz KUMUSBVYINNWLS-SFHVURJKSA-N 1 2 453.543 3.802 20 0 JHADLO CC[C@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306348152 1068785095 /nfs/dbraw/zinc/78/50/95/1068785095.db2.gz SQUICFDMGATHKT-SQJMNOBHSA-N 1 2 456.635 3.987 20 0 JHADLO CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306383924 1068816231 /nfs/dbraw/zinc/81/62/31/1068816231.db2.gz SACVADVIOXSYAL-GOTSBHOMSA-N 1 2 454.663 3.736 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001306410045 1068889322 /nfs/dbraw/zinc/88/93/22/1068889322.db2.gz QOXDUVNSLGBRSK-QGZVFWFLSA-N 1 2 489.393 3.971 20 0 JHADLO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CCO1 ZINC001306435960 1068939685 /nfs/dbraw/zinc/93/96/85/1068939685.db2.gz XFDRISFQJCJNHK-GOTSBHOMSA-N 1 2 455.647 3.864 20 0 JHADLO CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCS1 ZINC001306454218 1068975287 /nfs/dbraw/zinc/97/52/87/1068975287.db2.gz SMCBVXODJSRFES-UGKGYDQZSA-N 1 2 493.121 3.868 20 0 JHADLO CC/C=C\Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001306486557 1069025159 /nfs/dbraw/zinc/02/51/59/1069025159.db2.gz QLMHLAMKQOAMKK-PLNGDYQASA-N 1 2 450.562 3.700 20 0 JHADLO CC/C=C/Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306488234 1069027354 /nfs/dbraw/zinc/02/73/54/1069027354.db2.gz FULVFZTWYZSHHV-SGSXCFNPSA-N 1 2 487.048 3.610 20 0 JHADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC001310609231 1069051588 /nfs/dbraw/zinc/05/15/88/1069051588.db2.gz FVCFPRJGWDUFAK-MRXNPFEDSA-N 1 2 457.376 3.914 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001306504312 1069076615 /nfs/dbraw/zinc/07/66/15/1069076615.db2.gz CSMXMLYXPOWROV-XMMPIXPASA-N 1 2 482.673 3.669 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001306510158 1069100587 /nfs/dbraw/zinc/10/05/87/1069100587.db2.gz CNFWGQYVAIYHBF-JOCHJYFZSA-N 1 2 497.594 3.806 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306518184 1069131413 /nfs/dbraw/zinc/13/14/13/1069131413.db2.gz CMEUDFKQIMGTCW-GMAHTHKFSA-N 1 2 468.646 3.989 20 0 JHADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c1C ZINC001310805574 1069170987 /nfs/dbraw/zinc/17/09/87/1069170987.db2.gz KMNNSKXEMAROGR-XMMPIXPASA-N 1 2 451.527 3.596 20 0 JHADLO CCOC(=O)C(C)(C)c1csc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC001310844140 1069190690 /nfs/dbraw/zinc/19/06/90/1069190690.db2.gz LBJIMGHMFAEDKD-UHFFFAOYSA-N 1 2 459.616 3.840 20 0 JHADLO Cc1ccoc1CNC(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001310846974 1069192358 /nfs/dbraw/zinc/19/23/58/1069192358.db2.gz WGNIFQCLEZGNGE-UHFFFAOYSA-N 1 2 458.559 3.841 20 0 JHADLO CCOC(=O)C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC001310972653 1069236916 /nfs/dbraw/zinc/23/69/16/1069236916.db2.gz LWVMGAYRCPGZBP-LSDHHAIUSA-N 1 2 453.864 3.799 20 0 JHADLO CCC[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306578467 1069243971 /nfs/dbraw/zinc/24/39/71/1069243971.db2.gz UDDDXHIIZDQKFP-UYAOXDASSA-N 1 2 487.649 3.721 20 0 JHADLO CCC[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306581058 1069246155 /nfs/dbraw/zinc/24/61/55/1069246155.db2.gz OAHGOMGEUIRBMX-ACRUOGEOSA-N 1 2 478.682 3.738 20 0 JHADLO Nc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420567 718890490 /nfs/dbraw/zinc/89/04/90/718890490.db2.gz VBHJEJVOTILVDR-CYBMUJFWSA-N 1 2 458.694 3.850 20 0 JHADLO Nc1cc(Cl)nc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164416276 718890514 /nfs/dbraw/zinc/89/05/14/718890514.db2.gz CQQJPTYNILOLGM-LBPRGKRZSA-N 1 2 458.694 3.850 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)ncc1OC)CC2 ZINC001164663103 719345992 /nfs/dbraw/zinc/34/59/92/719345992.db2.gz CRCTXDVGKUQWSE-UHFFFAOYSA-N 1 2 450.612 3.902 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)ncc1OC)CC2 ZINC001164663103 719345996 /nfs/dbraw/zinc/34/59/96/719345996.db2.gz CRCTXDVGKUQWSE-UHFFFAOYSA-N 1 2 450.612 3.902 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164664552 719347870 /nfs/dbraw/zinc/34/78/70/719347870.db2.gz YFZWAOFKEHNSMX-UHFFFAOYSA-N 1 2 460.582 3.737 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164664552 719347874 /nfs/dbraw/zinc/34/78/74/719347874.db2.gz YFZWAOFKEHNSMX-UHFFFAOYSA-N 1 2 460.582 3.737 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164660549 719351881 /nfs/dbraw/zinc/35/18/81/719351881.db2.gz UZKUQMDILBYOAH-UHFFFAOYSA-N 1 2 460.630 3.756 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164660549 719351882 /nfs/dbraw/zinc/35/18/82/719351882.db2.gz UZKUQMDILBYOAH-UHFFFAOYSA-N 1 2 460.630 3.756 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164658071 719352589 /nfs/dbraw/zinc/35/25/89/719352589.db2.gz DFTBUCSXFCZXQP-UHFFFAOYSA-N 1 2 454.582 3.665 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164658071 719352594 /nfs/dbraw/zinc/35/25/94/719352594.db2.gz DFTBUCSXFCZXQP-UHFFFAOYSA-N 1 2 454.582 3.665 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164706717 719850787 /nfs/dbraw/zinc/85/07/87/719850787.db2.gz YOBDMDMPVKWCGI-LAUBAEHRSA-N 1 2 453.917 3.666 20 0 JHADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704913 719878246 /nfs/dbraw/zinc/87/82/46/719878246.db2.gz XFUDTESZBKTGAH-MHECFPHRSA-N 1 2 474.989 3.717 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164719318 720230123 /nfs/dbraw/zinc/23/01/23/720230123.db2.gz RGVBNWZGWGTVJO-HSZRJFAPSA-N 1 2 478.971 3.612 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164719318 720230131 /nfs/dbraw/zinc/23/01/31/720230131.db2.gz RGVBNWZGWGTVJO-HSZRJFAPSA-N 1 2 478.971 3.612 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cs1 ZINC001164816048 720251442 /nfs/dbraw/zinc/25/14/42/720251442.db2.gz FQHKZAAUPZKGIO-DNQXCXABSA-N 1 2 474.634 3.570 20 0 JHADLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cs1 ZINC001164816048 720251459 /nfs/dbraw/zinc/25/14/59/720251459.db2.gz FQHKZAAUPZKGIO-DNQXCXABSA-N 1 2 474.634 3.570 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1 ZINC001164723312 720310088 /nfs/dbraw/zinc/31/00/88/720310088.db2.gz NKKVJSJDJOHLJA-OAQYLSRUSA-N 1 2 485.000 3.673 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1 ZINC001164723312 720310094 /nfs/dbraw/zinc/31/00/94/720310094.db2.gz NKKVJSJDJOHLJA-OAQYLSRUSA-N 1 2 485.000 3.673 20 0 JHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164722362 720312601 /nfs/dbraw/zinc/31/26/01/720312601.db2.gz KQYYBCCVNDHNBT-MRXNPFEDSA-N 1 2 466.895 3.985 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164723846 720316677 /nfs/dbraw/zinc/31/66/77/720316677.db2.gz PMBSXHKCZWCWIQ-KRWDZBQOSA-N 1 2 475.931 3.754 20 0 JHADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164827638 720399771 /nfs/dbraw/zinc/39/97/71/720399771.db2.gz GSPBWBPVBNCPQV-UHFFFAOYSA-N 1 2 462.917 3.650 20 0 JHADLO Clc1nc2c(c(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164756508 720975079 /nfs/dbraw/zinc/97/50/79/720975079.db2.gz JNTUFJPBJHYKKW-HXUWFJFHSA-N 1 2 465.001 3.905 20 0 JHADLO CCOC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)n1 ZINC001164756800 720980851 /nfs/dbraw/zinc/98/08/51/720980851.db2.gz LJNJKOWKGHWBGH-OAHLLOKOSA-N 1 2 454.905 3.716 20 0 JHADLO O=C(NC[C@H]1CCC[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878157 721255216 /nfs/dbraw/zinc/25/52/16/721255216.db2.gz SSNGHQKARZMLMO-FYBSXPHGSA-N 1 2 497.643 3.983 20 0 JHADLO O=C(NC[C@H]1CCC[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)O1)c1ccccc1 ZINC001164878157 721255223 /nfs/dbraw/zinc/25/52/23/721255223.db2.gz SSNGHQKARZMLMO-FYBSXPHGSA-N 1 2 497.643 3.983 20 0 JHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770712 721276110 /nfs/dbraw/zinc/27/61/10/721276110.db2.gz XHGOLXJZNYCGLP-OAHLLOKOSA-N 1 2 478.887 3.679 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[C@@]4(CCN(CC)C4=O)C3)c2c1C ZINC001164776109 721320547 /nfs/dbraw/zinc/32/05/47/721320547.db2.gz CEHRFFLEGDDHIW-MRDQGFSESA-N 1 2 499.681 3.857 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001165011685 721703334 /nfs/dbraw/zinc/70/33/34/721703334.db2.gz VYGGZSZXXWUVEC-UHFFFAOYSA-N 1 2 471.968 3.968 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001165011685 721703338 /nfs/dbraw/zinc/70/33/38/721703338.db2.gz VYGGZSZXXWUVEC-UHFFFAOYSA-N 1 2 471.968 3.968 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164973632 722097093 /nfs/dbraw/zinc/09/70/93/722097093.db2.gz BJQCFMFBFICQLO-JQYIIUTOSA-N 1 2 468.605 3.581 20 0 JHADLO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164973632 722097094 /nfs/dbraw/zinc/09/70/94/722097094.db2.gz BJQCFMFBFICQLO-JQYIIUTOSA-N 1 2 468.605 3.581 20 0 JHADLO COc1cc2[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)ccc2c(OC)c1 ZINC001164989192 722186333 /nfs/dbraw/zinc/18/63/33/722186333.db2.gz OTPGWKXBPQPVJQ-YADHBBJMSA-N 1 2 454.596 3.887 20 0 JHADLO CCC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633106 1069335370 /nfs/dbraw/zinc/33/53/70/1069335370.db2.gz QNJZUCXOXISBDV-QPPBQGQZSA-N 1 2 485.673 3.881 20 0 JHADLO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001311377069 1069350984 /nfs/dbraw/zinc/35/09/84/1069350984.db2.gz YNZAWMHDBOELIV-GOSISDBHSA-N 1 2 454.974 3.782 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)c1 ZINC001311470271 1069393571 /nfs/dbraw/zinc/39/35/71/1069393571.db2.gz DPKRAGIFJZCARB-UHFFFAOYSA-N 1 2 453.461 3.500 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)[C@H](C)C1 ZINC001311472452 1069395086 /nfs/dbraw/zinc/39/50/86/1069395086.db2.gz DJSGUPIMSZTLDI-LJQANCHMSA-N 1 2 450.583 3.850 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)[C@H](C)C1 ZINC001311472452 1069395101 /nfs/dbraw/zinc/39/51/01/1069395101.db2.gz DJSGUPIMSZTLDI-LJQANCHMSA-N 1 2 450.583 3.850 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001311535848 1069427760 /nfs/dbraw/zinc/42/77/60/1069427760.db2.gz YIWAKEDLFLXURM-GOSISDBHSA-N 1 2 450.505 3.741 20 0 JHADLO Cc1cc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1I ZINC001311532146 1069426368 /nfs/dbraw/zinc/42/63/68/1069426368.db2.gz HNHWSMYBMLCWHZ-UHFFFAOYSA-N 1 2 450.324 3.594 20 0 JHADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NCc1cccc(Br)c1Cl ZINC001311544914 1069432487 /nfs/dbraw/zinc/43/24/87/1069432487.db2.gz GYNDYUSIGISMKF-UHFFFAOYSA-N 1 2 452.780 3.934 20 0 JHADLO CCCc1ccc([C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c2cccs2)cc1 ZINC001311552972 1069436362 /nfs/dbraw/zinc/43/63/62/1069436362.db2.gz IRQPDHODTBGYDO-DHLKQENFSA-N 1 2 457.640 3.705 20 0 JHADLO CCCc1ccc([C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c2cccs2)cc1 ZINC001311552972 1069436374 /nfs/dbraw/zinc/43/63/74/1069436374.db2.gz IRQPDHODTBGYDO-DHLKQENFSA-N 1 2 457.640 3.705 20 0 JHADLO CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001306704024 1069439732 /nfs/dbraw/zinc/43/97/32/1069439732.db2.gz RPUBZMDIFVTFEU-INIZCTEOSA-N 1 2 495.491 3.702 20 0 JHADLO CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001306709107 1069443174 /nfs/dbraw/zinc/44/31/74/1069443174.db2.gz XZQRQMBNRLHNND-FQEVSTJZSA-N 1 2 487.649 3.811 20 0 JHADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC001306725092 1069466497 /nfs/dbraw/zinc/46/64/97/1069466497.db2.gz GTYVMGUMKOFPRR-UHFFFAOYSA-N 1 2 458.902 3.858 20 0 JHADLO COc1cc([C@H](C)NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1OCc1ccccc1 ZINC001311621291 1069472215 /nfs/dbraw/zinc/47/22/15/1069472215.db2.gz ACYSCRVNAAAYCP-QTEQDKRBSA-N 1 2 453.583 3.840 20 0 JHADLO CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccc(Cl)cc21 ZINC001311681943 1069501871 /nfs/dbraw/zinc/50/18/71/1069501871.db2.gz FMQHPNAACGBEHN-MRXNPFEDSA-N 1 2 455.921 3.957 20 0 JHADLO O=C(NC[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1)Nc1cccc(F)c1 ZINC001311698060 1069508920 /nfs/dbraw/zinc/50/89/20/1069508920.db2.gz NJGLOUJQFOPNLZ-GOSISDBHSA-N 1 2 450.518 3.755 20 0 JHADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001311698646 1069509197 /nfs/dbraw/zinc/50/91/97/1069509197.db2.gz XNBIWBXPEFWWCZ-QGZVFWFLSA-N 1 2 457.456 3.754 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001311699487 1069509557 /nfs/dbraw/zinc/50/95/57/1069509557.db2.gz IQXCGWZURRLCIA-NRFANRHFSA-N 1 2 457.562 3.835 20 0 JHADLO O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001311794589 1069548152 /nfs/dbraw/zinc/54/81/52/1069548152.db2.gz MNAANVMDYKAEGY-GOTSBHOMSA-N 1 2 453.974 3.651 20 0 JHADLO CCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001306766592 1069568213 /nfs/dbraw/zinc/56/82/13/1069568213.db2.gz JMYHTLUOTCMWEI-LJQANCHMSA-N 1 2 486.505 3.823 20 0 JHADLO CCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306777776 1069573772 /nfs/dbraw/zinc/57/37/72/1069573772.db2.gz WXBNFLJLSMFDID-IBGZPJMESA-N 1 2 450.591 3.512 20 0 JHADLO CCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306777776 1069573782 /nfs/dbraw/zinc/57/37/82/1069573782.db2.gz WXBNFLJLSMFDID-IBGZPJMESA-N 1 2 450.591 3.512 20 0 JHADLO CCCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001306795170 1069601661 /nfs/dbraw/zinc/60/16/61/1069601661.db2.gz VKCUUEHSAAZONZ-SFHVURJKSA-N 1 2 460.529 3.823 20 0 JHADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001311953631 1069632521 /nfs/dbraw/zinc/63/25/21/1069632521.db2.gz MIMXGBJFDJVJBB-FUHWJXTLSA-N 1 2 451.892 3.788 20 0 JHADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001311953631 1069632522 /nfs/dbraw/zinc/63/25/22/1069632522.db2.gz MIMXGBJFDJVJBB-FUHWJXTLSA-N 1 2 451.892 3.788 20 0 JHADLO CCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001314157682 1069632611 /nfs/dbraw/zinc/63/26/11/1069632611.db2.gz DKRRTQALZOPZLV-JOCHJYFZSA-N 1 2 496.700 3.755 20 0 JHADLO NC(=O)c1cccc(CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C2CC2)c1 ZINC001311954999 1069633906 /nfs/dbraw/zinc/63/39/06/1069633906.db2.gz TVJLTMXZVNMWJB-FQEVSTJZSA-N 1 2 458.965 3.917 20 0 JHADLO NC(=O)c1cccc(CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C2CC2)c1 ZINC001311954999 1069633910 /nfs/dbraw/zinc/63/39/10/1069633910.db2.gz TVJLTMXZVNMWJB-FQEVSTJZSA-N 1 2 458.965 3.917 20 0 JHADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311974462 1069645569 /nfs/dbraw/zinc/64/55/69/1069645569.db2.gz YOIGJFLYUOWJQY-QGZVFWFLSA-N 1 2 452.477 3.803 20 0 JHADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001311974462 1069645576 /nfs/dbraw/zinc/64/55/76/1069645576.db2.gz YOIGJFLYUOWJQY-QGZVFWFLSA-N 1 2 452.477 3.803 20 0 JHADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC001306832107 1069649071 /nfs/dbraw/zinc/64/90/71/1069649071.db2.gz SMOCKVGBBUKXFS-JOCHJYFZSA-N 1 2 458.474 3.834 20 0 JHADLO C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc(F)cc1OC(F)F ZINC001312044087 1069689797 /nfs/dbraw/zinc/68/97/97/1069689797.db2.gz BMJQRWFKCROSLS-VQIMIIECSA-N 1 2 451.489 3.731 20 0 JHADLO CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001307017670 1069726905 /nfs/dbraw/zinc/72/69/05/1069726905.db2.gz BJBYXOFYFISNTG-XMMPIXPASA-N 1 2 468.690 3.884 20 0 JHADLO CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001307019533 1069728363 /nfs/dbraw/zinc/72/83/63/1069728363.db2.gz IDUWFZFXKPRFHH-GOSISDBHSA-N 1 2 491.478 3.731 20 0 JHADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001312117192 1069729074 /nfs/dbraw/zinc/72/90/74/1069729074.db2.gz JVIJJDZVQZYUMS-SFHVURJKSA-N 1 2 459.344 3.779 20 0 JHADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001312156210 1069755471 /nfs/dbraw/zinc/75/54/71/1069755471.db2.gz QSEUQHFXRFVOLJ-FQEVSTJZSA-N 1 2 454.640 3.618 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC001312230328 1069795464 /nfs/dbraw/zinc/79/54/64/1069795464.db2.gz YIQZMDRRXHDDTQ-LJQANCHMSA-N 1 2 452.546 3.726 20 0 JHADLO Cc1ccn(-c2ccccc2CNC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC001312266016 1069824020 /nfs/dbraw/zinc/82/40/20/1069824020.db2.gz IUMAMGPVPRJFIR-UHFFFAOYSA-N 1 2 453.974 3.740 20 0 JHADLO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312269281 1069825459 /nfs/dbraw/zinc/82/54/59/1069825459.db2.gz GKOKCCDPCFGCMT-VEXUSMLFSA-N 1 2 458.002 3.951 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314221290 1069870862 /nfs/dbraw/zinc/87/08/62/1069870862.db2.gz ACPYXVVUTIBHOF-NHCUHLMSSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314221290 1069870875 /nfs/dbraw/zinc/87/08/75/1069870875.db2.gz ACPYXVVUTIBHOF-NHCUHLMSSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001314223661 1069881736 /nfs/dbraw/zinc/88/17/36/1069881736.db2.gz WLECDMVZCIKRNN-HXUWFJFHSA-N 1 2 457.619 3.603 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001314223661 1069881761 /nfs/dbraw/zinc/88/17/61/1069881761.db2.gz WLECDMVZCIKRNN-HXUWFJFHSA-N 1 2 457.619 3.603 20 0 JHADLO COc1ccc(/C=C2/N=C(SCC[N@@H+]3CCO[C@@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282199 1069927015 /nfs/dbraw/zinc/92/70/15/1069927015.db2.gz ZJWHPDIPCRQXGP-LKZQPVPRSA-N 1 2 451.592 3.888 20 0 JHADLO COc1ccc(/C=C2/N=C(SCC[N@H+]3CCO[C@@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282199 1069927027 /nfs/dbraw/zinc/92/70/27/1069927027.db2.gz ZJWHPDIPCRQXGP-LKZQPVPRSA-N 1 2 451.592 3.888 20 0 JHADLO CN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001312426224 1069929140 /nfs/dbraw/zinc/92/91/40/1069929140.db2.gz NWTRPZVRNFBNHK-PCCBWWKXSA-N 1 2 452.382 3.740 20 0 JHADLO CN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001312426224 1069929158 /nfs/dbraw/zinc/92/91/58/1069929158.db2.gz NWTRPZVRNFBNHK-PCCBWWKXSA-N 1 2 452.382 3.740 20 0 JHADLO CCOC1CC(Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccc(OC)cc2)([NH+]2CCOCC2)C1 ZINC001314240690 1069942421 /nfs/dbraw/zinc/94/24/21/1069942421.db2.gz SZIIOQVUSJCYBF-GZSFQLOGSA-N 1 2 471.646 3.877 20 0 JHADLO Cc1cccc2oc(CCNC(=O)NCCc3cn4cc(Br)cc(C)c4[nH+]3)nc21 ZINC001312474450 1069958976 /nfs/dbraw/zinc/95/89/76/1069958976.db2.gz DQAUBFGEGMTJQM-UHFFFAOYSA-N 1 2 456.344 3.939 20 0 JHADLO CCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312476962 1069959421 /nfs/dbraw/zinc/95/94/21/1069959421.db2.gz SPOHEVUUKHBPDC-RBZQAINGSA-N 1 2 458.002 3.951 20 0 JHADLO CCO[C@@H]1COCC[C@H]1NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312476963 1069959568 /nfs/dbraw/zinc/95/95/68/1069959568.db2.gz SPOHEVUUKHBPDC-SMIHKQSGSA-N 1 2 458.002 3.951 20 0 JHADLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001307412427 1069971441 /nfs/dbraw/zinc/97/14/41/1069971441.db2.gz FQPHKNMUVSSJCF-GOTSBHOMSA-N 1 2 458.002 3.922 20 0 JHADLO O[C@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001307417420 1069975013 /nfs/dbraw/zinc/97/50/13/1069975013.db2.gz KZDDIYXXUUSQSF-HNNXBMFYSA-N 1 2 450.288 3.969 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC001307439457 1069984870 /nfs/dbraw/zinc/98/48/70/1069984870.db2.gz VCYFPNXACFKVCM-IBGZPJMESA-N 1 2 458.024 3.599 20 0 JHADLO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC001307441179 1069985572 /nfs/dbraw/zinc/98/55/72/1069985572.db2.gz VFTNZVNRRMPGIK-UHFFFAOYSA-N 1 2 455.393 3.905 20 0 JHADLO FC(F)(F)Cn1nnc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC001307448372 1069989444 /nfs/dbraw/zinc/98/94/44/1069989444.db2.gz VFIRXBJVKJIMQV-FQEVSTJZSA-N 1 2 450.896 3.796 20 0 JHADLO CC[N@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)Cc1ccc(C(=O)N(C)C)cc1 ZINC001307455339 1069995372 /nfs/dbraw/zinc/99/53/72/1069995372.db2.gz KCJXKPRNVVXING-UHFFFAOYSA-N 1 2 457.644 3.537 20 0 JHADLO CC[N@@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)Cc1ccc(C(=O)N(C)C)cc1 ZINC001307455339 1069995387 /nfs/dbraw/zinc/99/53/87/1069995387.db2.gz KCJXKPRNVVXING-UHFFFAOYSA-N 1 2 457.644 3.537 20 0 JHADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307457899 1069996437 /nfs/dbraw/zinc/99/64/37/1069996437.db2.gz CANGVURSVCIVTP-QFIPXVFZSA-N 1 2 457.596 3.645 20 0 JHADLO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307457899 1069996456 /nfs/dbraw/zinc/99/64/56/1069996456.db2.gz CANGVURSVCIVTP-QFIPXVFZSA-N 1 2 457.596 3.645 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3ccc(F)cc3Br)C2)cc1 ZINC001312545930 1070004886 /nfs/dbraw/zinc/00/48/86/1070004886.db2.gz CXAUJMIJMCCFDU-IBGZPJMESA-N 1 2 450.352 3.597 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3ccc(F)cc3Br)C2)cc1 ZINC001312545930 1070004896 /nfs/dbraw/zinc/00/48/96/1070004896.db2.gz CXAUJMIJMCCFDU-IBGZPJMESA-N 1 2 450.352 3.597 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314263788 1070008131 /nfs/dbraw/zinc/00/81/31/1070008131.db2.gz CPOYLLPIXPEYGU-JYMRHQFYSA-N 1 2 493.599 3.517 20 0 JHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001307512010 1070026684 /nfs/dbraw/zinc/02/66/84/1070026684.db2.gz ZJCKFOGABJWFOX-CUYJMHBOSA-N 1 2 457.640 3.736 20 0 JHADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001307512010 1070026703 /nfs/dbraw/zinc/02/67/03/1070026703.db2.gz ZJCKFOGABJWFOX-CUYJMHBOSA-N 1 2 457.640 3.736 20 0 JHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505278 1070022936 /nfs/dbraw/zinc/02/29/36/1070022936.db2.gz YNYDFSDIJRILFH-KUHUBIRLSA-N 1 2 453.967 3.751 20 0 JHADLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505278 1070022946 /nfs/dbraw/zinc/02/29/46/1070022946.db2.gz YNYDFSDIJRILFH-KUHUBIRLSA-N 1 2 453.967 3.751 20 0 JHADLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505277 1070022454 /nfs/dbraw/zinc/02/24/54/1070022454.db2.gz YNYDFSDIJRILFH-IFXJQAMLSA-N 1 2 453.967 3.751 20 0 JHADLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC001307505277 1070022469 /nfs/dbraw/zinc/02/24/69/1070022469.db2.gz YNYDFSDIJRILFH-IFXJQAMLSA-N 1 2 453.967 3.751 20 0 JHADLO O=C(NCC[C@@H]1C[C@H]1C1CC1)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001312584674 1070029382 /nfs/dbraw/zinc/02/93/82/1070029382.db2.gz AAJSFNQLOFTPLQ-RLLQIKCJSA-N 1 2 467.395 3.991 20 0 JHADLO O=C(NCC[C@@H]1C[C@H]1C1CC1)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001312584674 1070029395 /nfs/dbraw/zinc/02/93/95/1070029395.db2.gz AAJSFNQLOFTPLQ-RLLQIKCJSA-N 1 2 467.395 3.991 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(CCC(=O)OC)CC1)C[C@@H](C)CC2 ZINC001307517226 1070029564 /nfs/dbraw/zinc/02/95/64/1070029564.db2.gz QIQMNDKXJCNQQT-HNNXBMFYSA-N 1 2 450.601 3.653 20 0 JHADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)sc2c1CCCC2 ZINC001307523063 1070032644 /nfs/dbraw/zinc/03/26/44/1070032644.db2.gz FWJXPIMGRRFOAM-IBGZPJMESA-N 1 2 458.628 3.507 20 0 JHADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)sc2c1CCCC2 ZINC001307523063 1070032656 /nfs/dbraw/zinc/03/26/56/1070032656.db2.gz FWJXPIMGRRFOAM-IBGZPJMESA-N 1 2 458.628 3.507 20 0 JHADLO CCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314276175 1070034413 /nfs/dbraw/zinc/03/44/13/1070034413.db2.gz UFDATCDRJOFCKX-RXVVDRJESA-N 1 2 456.541 3.927 20 0 JHADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCSCc2ccccc2)CC1 ZINC001307528034 1070035843 /nfs/dbraw/zinc/03/58/43/1070035843.db2.gz PFTDPMSBMOFFQS-UHFFFAOYSA-N 1 2 455.045 3.978 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538546 1070041172 /nfs/dbraw/zinc/04/11/72/1070041172.db2.gz AUPBKLFLIXQKQP-RBUKOAKNSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538546 1070041187 /nfs/dbraw/zinc/04/11/87/1070041187.db2.gz AUPBKLFLIXQKQP-RBUKOAKNSA-N 1 2 458.024 3.741 20 0 JHADLO COc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C ZINC001307599101 1070073488 /nfs/dbraw/zinc/07/34/88/1070073488.db2.gz DKWJHQJKJRIDNK-UHFFFAOYSA-N 1 2 459.431 3.724 20 0 JHADLO COc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C ZINC001307599101 1070073508 /nfs/dbraw/zinc/07/35/08/1070073508.db2.gz DKWJHQJKJRIDNK-UHFFFAOYSA-N 1 2 459.431 3.724 20 0 JHADLO O=C(C[NH+]1CCC(N2CCCNC2=O)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001307595113 1070071718 /nfs/dbraw/zinc/07/17/18/1070071718.db2.gz GEUXOCNTELBVQW-UHFFFAOYSA-N 1 2 452.399 3.542 20 0 JHADLO COC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001307625290 1070087100 /nfs/dbraw/zinc/08/71/00/1070087100.db2.gz PQPVTBHIJPTFBD-CYBMUJFWSA-N 1 2 455.458 3.576 20 0 JHADLO CCOCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCCSC1 ZINC001314303644 1070089216 /nfs/dbraw/zinc/08/92/16/1070089216.db2.gz JWFPJDRMCKNDCR-RBUKOAKNSA-N 1 2 465.689 3.529 20 0 JHADLO CCOCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(F)c1 ZINC001314304015 1070089750 /nfs/dbraw/zinc/08/97/50/1070089750.db2.gz LZOQHVCDYQENCR-FQEVSTJZSA-N 1 2 459.591 3.573 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccsc2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314307678 1070095348 /nfs/dbraw/zinc/09/53/48/1070095348.db2.gz SBUANMGYAUJRPW-QFIPXVFZSA-N 1 2 455.628 3.894 20 0 JHADLO COc1ccc(CNC(=O)CC[N@@H+]2CCc3c(Br)ccc(F)c3C2)c(OC)c1 ZINC001307667414 1070113026 /nfs/dbraw/zinc/11/30/26/1070113026.db2.gz VARGUIMTKQEJQD-UHFFFAOYSA-N 1 2 451.336 3.670 20 0 JHADLO COc1ccc(CNC(=O)CC[N@H+]2CCc3c(Br)ccc(F)c3C2)c(OC)c1 ZINC001307667414 1070113031 /nfs/dbraw/zinc/11/30/31/1070113031.db2.gz VARGUIMTKQEJQD-UHFFFAOYSA-N 1 2 451.336 3.670 20 0 JHADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC001307672366 1070116430 /nfs/dbraw/zinc/11/64/30/1070116430.db2.gz RCHRMUNKGBOLOV-NSHDSACASA-N 1 2 458.765 3.685 20 0 JHADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC001307672366 1070116441 /nfs/dbraw/zinc/11/64/41/1070116441.db2.gz RCHRMUNKGBOLOV-NSHDSACASA-N 1 2 458.765 3.685 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677318 1070119719 /nfs/dbraw/zinc/11/97/19/1070119719.db2.gz NVVQCRJSANPPNI-BBRMVZONSA-N 1 2 457.497 3.570 20 0 JHADLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC001307677318 1070119725 /nfs/dbraw/zinc/11/97/25/1070119725.db2.gz NVVQCRJSANPPNI-BBRMVZONSA-N 1 2 457.497 3.570 20 0 JHADLO CCOC(=O)C1=C(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)NC(=O)N[C@@H]1c1ccco1 ZINC001307685399 1070124655 /nfs/dbraw/zinc/12/46/55/1070124655.db2.gz PSDNLUMURUVXKB-KZULUSFZSA-N 1 2 459.453 3.546 20 0 JHADLO C[C@H]1CN(c2cccc(C[N@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)c2)S(=O)(=O)C1 ZINC001307727217 1070152154 /nfs/dbraw/zinc/15/21/54/1070152154.db2.gz PAQZKSHYINHTFT-AWEZNQCLSA-N 1 2 456.395 3.850 20 0 JHADLO C[C@H]1CN(c2cccc(C[N@@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)c2)S(=O)(=O)C1 ZINC001307727217 1070152160 /nfs/dbraw/zinc/15/21/60/1070152160.db2.gz PAQZKSHYINHTFT-AWEZNQCLSA-N 1 2 456.395 3.850 20 0 JHADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC001307756276 1070168600 /nfs/dbraw/zinc/16/86/00/1070168600.db2.gz ANVZKEFEHIAJQZ-CTNGQTDRSA-N 1 2 452.498 3.650 20 0 JHADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC001307756276 1070168605 /nfs/dbraw/zinc/16/86/05/1070168605.db2.gz ANVZKEFEHIAJQZ-CTNGQTDRSA-N 1 2 452.498 3.650 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC(C)(C)c1ccccc1F ZINC001314355190 1070176118 /nfs/dbraw/zinc/17/61/18/1070176118.db2.gz KMHNJNPPDTZFFX-UHFFFAOYSA-N 1 2 452.578 3.955 20 0 JHADLO CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc21 ZINC001307785540 1070181218 /nfs/dbraw/zinc/18/12/18/1070181218.db2.gz MVZZUZQXUYYMCY-GOSISDBHSA-N 1 2 454.571 3.570 20 0 JHADLO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc21 ZINC001307785540 1070181225 /nfs/dbraw/zinc/18/12/25/1070181225.db2.gz MVZZUZQXUYYMCY-GOSISDBHSA-N 1 2 454.571 3.570 20 0 JHADLO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC001307811293 1070194114 /nfs/dbraw/zinc/19/41/14/1070194114.db2.gz JHIYITGXECITND-SFHVURJKSA-N 1 2 453.630 3.824 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314367797 1070202170 /nfs/dbraw/zinc/20/21/70/1070202170.db2.gz YBWSCOKOOOBPRY-XZOQPEGZSA-N 1 2 471.646 3.672 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 ZINC001313017570 1070223660 /nfs/dbraw/zinc/22/36/60/1070223660.db2.gz XOYCKLDIOUHSDZ-VXKWHMMOSA-N 1 2 453.974 3.562 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885070 1070224737 /nfs/dbraw/zinc/22/47/37/1070224737.db2.gz FYMFZPMXSVPGBG-FGTMMUONSA-N 1 2 452.983 3.600 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885070 1070224749 /nfs/dbraw/zinc/22/47/49/1070224749.db2.gz FYMFZPMXSVPGBG-FGTMMUONSA-N 1 2 452.983 3.600 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCOc1ccccc1C ZINC001314390171 1070243249 /nfs/dbraw/zinc/24/32/49/1070243249.db2.gz BETIFZDBQHUSJK-UHFFFAOYSA-N 1 2 479.629 3.750 20 0 JHADLO CS(=O)(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC001307926240 1070245809 /nfs/dbraw/zinc/24/58/09/1070245809.db2.gz AEPNFMPKQGGTGM-RTBURBONSA-N 1 2 456.486 3.715 20 0 JHADLO CS(=O)(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC001307926240 1070245815 /nfs/dbraw/zinc/24/58/15/1070245815.db2.gz AEPNFMPKQGGTGM-RTBURBONSA-N 1 2 456.486 3.715 20 0 JHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1C ZINC001307941660 1070252342 /nfs/dbraw/zinc/25/23/42/1070252342.db2.gz PKJLJPMVTVFGLD-YJBOKZPZSA-N 1 2 455.521 3.918 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1CCc1ccsc1 ZINC001314396779 1070255903 /nfs/dbraw/zinc/25/59/03/1070255903.db2.gz NXVSHDDUFNYLPG-UHFFFAOYSA-N 1 2 459.591 3.589 20 0 JHADLO CCCc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@@H](O)c4ccnn4C)CC3)n2)cc1 ZINC001307952211 1070256326 /nfs/dbraw/zinc/25/63/26/1070256326.db2.gz PYEPCNNGGLWKKC-HSZRJFAPSA-N 1 2 453.612 3.880 20 0 JHADLO CCOCc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1Cc1c[nH+]ccc1OC ZINC001314405200 1070268351 /nfs/dbraw/zinc/26/83/51/1070268351.db2.gz XEJCUJVRCHBUSI-HXUWFJFHSA-N 1 2 488.386 3.607 20 0 JHADLO O=C(CC[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)N[C@@H]1CCCc2ccccc21 ZINC001307979396 1070267581 /nfs/dbraw/zinc/26/75/81/1070267581.db2.gz ZEZKGWJNRAFAQR-JOCHJYFZSA-N 1 2 459.512 3.934 20 0 JHADLO O=C(CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)N[C@@H]1CCCc2ccccc21 ZINC001307979396 1070267596 /nfs/dbraw/zinc/26/75/96/1070267596.db2.gz ZEZKGWJNRAFAQR-JOCHJYFZSA-N 1 2 459.512 3.934 20 0 JHADLO O=C(CC[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)N[C@H]1CCCc2ccccc21 ZINC001307979397 1070267985 /nfs/dbraw/zinc/26/79/85/1070267985.db2.gz ZEZKGWJNRAFAQR-QFIPXVFZSA-N 1 2 459.512 3.934 20 0 JHADLO O=C(CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)N[C@H]1CCCc2ccccc21 ZINC001307979397 1070267994 /nfs/dbraw/zinc/26/79/94/1070267994.db2.gz ZEZKGWJNRAFAQR-QFIPXVFZSA-N 1 2 459.512 3.934 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168246 1070278061 /nfs/dbraw/zinc/27/80/61/1070278061.db2.gz OKDGAPNESFAMCH-RTWAWAEBSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001313168246 1070278066 /nfs/dbraw/zinc/27/80/66/1070278066.db2.gz OKDGAPNESFAMCH-RTWAWAEBSA-N 1 2 452.382 3.535 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001313169009 1070277768 /nfs/dbraw/zinc/27/77/68/1070277768.db2.gz UANRPOOVFBKEMS-DEOSSOPVSA-N 1 2 453.558 3.639 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001313169009 1070277781 /nfs/dbraw/zinc/27/77/81/1070277781.db2.gz UANRPOOVFBKEMS-DEOSSOPVSA-N 1 2 453.558 3.639 20 0 JHADLO CCOCCN(C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170286 1070278714 /nfs/dbraw/zinc/27/87/14/1070278714.db2.gz XJUGNDAGSWZMIS-AHWVRZQESA-N 1 2 451.611 3.931 20 0 JHADLO CCOCCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170286 1070278724 /nfs/dbraw/zinc/27/87/24/1070278724.db2.gz XJUGNDAGSWZMIS-AHWVRZQESA-N 1 2 451.611 3.931 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001313187196 1070286271 /nfs/dbraw/zinc/28/62/71/1070286271.db2.gz TYHRHDMFMNTNQR-YHBQERECSA-N 1 2 450.583 3.852 20 0 JHADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC001308054534 1070295155 /nfs/dbraw/zinc/29/51/55/1070295155.db2.gz IXGRBCAUWQIANC-FQEVSTJZSA-N 1 2 455.502 3.725 20 0 JHADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC001308054534 1070295163 /nfs/dbraw/zinc/29/51/63/1070295163.db2.gz IXGRBCAUWQIANC-FQEVSTJZSA-N 1 2 455.502 3.725 20 0 JHADLO CCCCc1nnc(NC(=O)C[N@@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001308074458 1070302717 /nfs/dbraw/zinc/30/27/17/1070302717.db2.gz CIHFHGZKZUXFGP-QFIPXVFZSA-N 1 2 451.637 3.932 20 0 JHADLO CCCCc1nnc(NC(=O)C[N@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001308074458 1070302732 /nfs/dbraw/zinc/30/27/32/1070302732.db2.gz CIHFHGZKZUXFGP-QFIPXVFZSA-N 1 2 451.637 3.932 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001308123773 1070322071 /nfs/dbraw/zinc/32/20/71/1070322071.db2.gz DQKWXJGMOBQGGX-SJLPKXTDSA-N 1 2 455.607 3.743 20 0 JHADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001308123773 1070322087 /nfs/dbraw/zinc/32/20/87/1070322087.db2.gz DQKWXJGMOBQGGX-SJLPKXTDSA-N 1 2 455.607 3.743 20 0 JHADLO O=C(C[N@@H+]1CC[C@H](Nc2ncccn2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001308141022 1070327171 /nfs/dbraw/zinc/32/71/71/1070327171.db2.gz ORWASCTVLDWVTH-SFHVURJKSA-N 1 2 450.930 3.507 20 0 JHADLO O=C(C[N@H+]1CC[C@H](Nc2ncccn2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001308141022 1070327191 /nfs/dbraw/zinc/32/71/91/1070327191.db2.gz ORWASCTVLDWVTH-SFHVURJKSA-N 1 2 450.930 3.507 20 0 JHADLO COCC[N@H+](CCC(=O)OC(C)(C)C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001308142204 1070327655 /nfs/dbraw/zinc/32/76/55/1070327655.db2.gz JTNMPWQSWWHLSX-UHFFFAOYSA-N 1 2 458.584 3.910 20 0 JHADLO COCC[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001308142204 1070327676 /nfs/dbraw/zinc/32/76/76/1070327676.db2.gz JTNMPWQSWWHLSX-UHFFFAOYSA-N 1 2 458.584 3.910 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313378938 1070340743 /nfs/dbraw/zinc/34/07/43/1070340743.db2.gz HLOCOIRJPIQUKW-PDGJWGCVSA-N 1 2 472.630 3.841 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313378938 1070340760 /nfs/dbraw/zinc/34/07/60/1070340760.db2.gz HLOCOIRJPIQUKW-PDGJWGCVSA-N 1 2 472.630 3.841 20 0 JHADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)c2ccc(F)c(F)c2)c1 ZINC001308293762 1070352971 /nfs/dbraw/zinc/35/29/71/1070352971.db2.gz QEUGYJVDIGSTGE-QFIPXVFZSA-N 1 2 458.534 3.638 20 0 JHADLO O=S(=O)(Cc1ccccc1C[NH2+]Cc1c(F)ccc(Br)c1F)N1CCCC1 ZINC001308332736 1070357925 /nfs/dbraw/zinc/35/79/25/1070357925.db2.gz CDTKCSIKBSGLJF-UHFFFAOYSA-N 1 2 459.356 3.943 20 0 JHADLO CCOCCOc1ccc(Br)cc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC001308357688 1070361142 /nfs/dbraw/zinc/36/11/42/1070361142.db2.gz YPZTVXAZKSJUAM-UHFFFAOYSA-N 1 2 450.377 3.704 20 0 JHADLO O=C(C[NH2+]Cc1ccsc1Br)Nc1ccc(I)cc1 ZINC001308404913 1070371084 /nfs/dbraw/zinc/37/10/84/1070371084.db2.gz IZWWZURFCJQMIL-UHFFFAOYSA-N 1 2 451.127 3.844 20 0 JHADLO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1C ZINC001308625790 1070405048 /nfs/dbraw/zinc/40/50/48/1070405048.db2.gz LWIUKVHSFZHLDJ-UHFFFAOYSA-N 1 2 457.600 3.670 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001313463078 1070423717 /nfs/dbraw/zinc/42/37/17/1070423717.db2.gz ZKDVDFSXVNIMRE-HSZRJFAPSA-N 1 2 475.641 3.759 20 0 JHADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)ccc1Cl ZINC001308736173 1070428504 /nfs/dbraw/zinc/42/85/04/1070428504.db2.gz XMIZXTLKZKSIBY-INIZCTEOSA-N 1 2 458.809 3.826 20 0 JHADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)ccc1Cl ZINC001308736173 1070428510 /nfs/dbraw/zinc/42/85/10/1070428510.db2.gz XMIZXTLKZKSIBY-INIZCTEOSA-N 1 2 458.809 3.826 20 0 JHADLO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001313465198 1070432703 /nfs/dbraw/zinc/43/27/03/1070432703.db2.gz MJZUPXDMUKLDIJ-IRLDBZIGSA-N 1 2 454.619 3.599 20 0 JHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cs1)c1ccccc1 ZINC001308765955 1070433498 /nfs/dbraw/zinc/43/34/98/1070433498.db2.gz MKCDNKQTKDNCRJ-JKSUJKDBSA-N 1 2 452.502 3.670 20 0 JHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cs1)c1ccccc1 ZINC001308765955 1070433505 /nfs/dbraw/zinc/43/35/05/1070433505.db2.gz MKCDNKQTKDNCRJ-JKSUJKDBSA-N 1 2 452.502 3.670 20 0 JHADLO CCOC(=O)c1nnn(C2CC[NH+](Cc3cccc(O)c3Br)CC2)c1C(F)F ZINC001308897394 1070456535 /nfs/dbraw/zinc/45/65/35/1070456535.db2.gz HYCMZOPUXNZLAM-UHFFFAOYSA-N 1 2 459.291 3.698 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC001308913097 1070458303 /nfs/dbraw/zinc/45/83/03/1070458303.db2.gz KMLDHWFCCQTSOK-KFWWJZLASA-N 1 2 461.506 3.781 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC001308913097 1070458314 /nfs/dbraw/zinc/45/83/14/1070458314.db2.gz KMLDHWFCCQTSOK-KFWWJZLASA-N 1 2 461.506 3.781 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCNc2cccc[nH+]2)CC1 ZINC001313471376 1070461664 /nfs/dbraw/zinc/46/16/64/1070461664.db2.gz JJPMNJDJPTZUCP-UHFFFAOYSA-N 1 2 465.577 3.724 20 0 JHADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942676 1070463873 /nfs/dbraw/zinc/46/38/73/1070463873.db2.gz IYSUZKAGEJCYAF-SJORKVTESA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)n2c1CCCC2 ZINC001308942676 1070463878 /nfs/dbraw/zinc/46/38/78/1070463878.db2.gz IYSUZKAGEJCYAF-SJORKVTESA-N 1 2 459.509 3.889 20 0 JHADLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308966016 1070467535 /nfs/dbraw/zinc/46/75/35/1070467535.db2.gz KXZKTMCHYXDCLO-FUHWJXTLSA-N 1 2 455.393 3.912 20 0 JHADLO CCSCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001314609141 1070670335 /nfs/dbraw/zinc/67/03/35/1070670335.db2.gz GBHGWBOOHXQRCV-UHFFFAOYSA-N 1 2 486.455 3.758 20 0 JHADLO CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313561726 1070679156 /nfs/dbraw/zinc/67/91/56/1070679156.db2.gz ONGMHKZGYOJDLQ-HXUWFJFHSA-N 1 2 473.419 3.576 20 0 JHADLO CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313566216 1070681337 /nfs/dbraw/zinc/68/13/37/1070681337.db2.gz NTYZVACJZXADIS-GOTSBHOMSA-N 1 2 498.672 3.922 20 0 JHADLO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C(C)C ZINC001313580771 1070699987 /nfs/dbraw/zinc/69/99/87/1070699987.db2.gz NPSAXCACIPWYHG-SQHAQQRYSA-N 1 2 485.673 3.935 20 0 JHADLO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c[nH+]ccc1OC)C1CCCC1 ZINC001313584434 1070708467 /nfs/dbraw/zinc/70/84/67/1070708467.db2.gz HYEULCFWVPAGJM-UHFFFAOYSA-N 1 2 455.584 3.569 20 0 JHADLO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001309388438 1070739479 /nfs/dbraw/zinc/73/94/79/1070739479.db2.gz PZSPBISTMAAHDA-JOCHJYFZSA-N 1 2 457.640 3.844 20 0 JHADLO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001309388438 1070739490 /nfs/dbraw/zinc/73/94/90/1070739490.db2.gz PZSPBISTMAAHDA-JOCHJYFZSA-N 1 2 457.640 3.844 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1Br ZINC001309394257 1070743438 /nfs/dbraw/zinc/74/34/38/1070743438.db2.gz DRCOSHMRSFPDIS-QGZVFWFLSA-N 1 2 455.443 3.653 20 0 JHADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1Br ZINC001309394257 1070743450 /nfs/dbraw/zinc/74/34/50/1070743450.db2.gz DRCOSHMRSFPDIS-QGZVFWFLSA-N 1 2 455.443 3.653 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313627107 1070756762 /nfs/dbraw/zinc/75/67/62/1070756762.db2.gz QYEBPOZZGDKJHB-SFHVURJKSA-N 1 2 470.025 3.977 20 0 JHADLO CCN(CC(C)C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313627107 1070756771 /nfs/dbraw/zinc/75/67/71/1070756771.db2.gz QYEBPOZZGDKJHB-SFHVURJKSA-N 1 2 470.025 3.977 20 0 JHADLO CN(C)c1ccc(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)c[nH+]1 ZINC001314659472 1070781756 /nfs/dbraw/zinc/78/17/56/1070781756.db2.gz WOHZXKCQQHFTLK-UHFFFAOYSA-N 1 2 493.356 3.974 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC001314662154 1070788141 /nfs/dbraw/zinc/78/81/41/1070788141.db2.gz ZWXNGQQVZSDSJL-AVRDEDQJSA-N 1 2 482.551 3.559 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001313647735 1070812463 /nfs/dbraw/zinc/81/24/63/1070812463.db2.gz RFVHYQHURQSOHZ-UHFFFAOYSA-N 1 2 496.578 3.533 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCCC(C)C)CC1 ZINC001313648404 1070815824 /nfs/dbraw/zinc/81/58/24/1070815824.db2.gz OUXJOIRNIGTUNN-UHFFFAOYSA-N 1 2 477.657 3.920 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001314708087 1070880552 /nfs/dbraw/zinc/88/05/52/1070880552.db2.gz GQQWJHIDWJGJFK-NFBKMPQASA-N 1 2 497.688 3.591 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)C ZINC001314712415 1070897057 /nfs/dbraw/zinc/89/70/57/1070897057.db2.gz LRDWSOHVIBCBQD-MOPGFXCFSA-N 1 2 474.675 3.627 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001313672487 1070903990 /nfs/dbraw/zinc/90/39/90/1070903990.db2.gz DRKUXTXRYWSVID-UHFFFAOYSA-N 1 2 484.048 3.656 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c[nH+]1 ZINC001313674044 1070909853 /nfs/dbraw/zinc/90/98/53/1070909853.db2.gz HYNONUAJNLCSLB-NRFANRHFSA-N 1 2 483.661 3.588 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c[nH+]1 ZINC001313677059 1070923572 /nfs/dbraw/zinc/92/35/72/1070923572.db2.gz KCIQOCKJSCBTMS-PMACEKPBSA-N 1 2 484.670 3.801 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)c1ccco1 ZINC001313676958 1070923631 /nfs/dbraw/zinc/92/36/31/1070923631.db2.gz HBEILPYVGMLSGE-YADHBBJMSA-N 1 2 485.654 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c[nH+]1 ZINC001313677062 1070923695 /nfs/dbraw/zinc/92/36/95/1070923695.db2.gz KCIQOCKJSCBTMS-WOJBJXKFSA-N 1 2 484.670 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@]3(CCCOC3)C2)c[nH+]1 ZINC001313678795 1070931609 /nfs/dbraw/zinc/93/16/09/1070931609.db2.gz JANXVAQOHRIFOI-FQRUVTKNSA-N 1 2 470.662 3.931 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c[nH+]1 ZINC001313679057 1070933096 /nfs/dbraw/zinc/93/30/96/1070933096.db2.gz GXXRYAXBZJPMTG-RBBKRZOGSA-N 1 2 483.661 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@H]2C)c[nH+]1 ZINC001313679254 1070934440 /nfs/dbraw/zinc/93/44/40/1070934440.db2.gz PLUDOWPIJNWWSK-GOSISDBHSA-N 1 2 497.669 3.563 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c[nH+]1 ZINC001313679564 1070935625 /nfs/dbraw/zinc/93/56/25/1070935625.db2.gz ODPAFXGXHQVIOC-GOSISDBHSA-N 1 2 495.594 3.661 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](C)O[C@H](COC)C2)c[nH+]1 ZINC001313679762 1070936281 /nfs/dbraw/zinc/93/62/81/1070936281.db2.gz SSPCSYSTARNXNB-UGKGYDQZSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001313685585 1070946170 /nfs/dbraw/zinc/94/61/70/1070946170.db2.gz RTNGALHCKFODBV-SFHVURJKSA-N 1 2 454.550 3.683 20 0 JHADLO CN(Cc1ccc(C(N)=O)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCNc1cccc[nH+]1 ZINC001314731749 1070951119 /nfs/dbraw/zinc/95/11/19/1070951119.db2.gz SSFQBGSBKIAUAV-UHFFFAOYSA-N 1 2 476.972 3.626 20 0 JHADLO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001309814912 1070979817 /nfs/dbraw/zinc/97/98/17/1070979817.db2.gz KQJLZTDWOYSURV-SLQAJWMNSA-N 1 2 453.605 3.514 20 0 JHADLO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001309814912 1070979825 /nfs/dbraw/zinc/97/98/25/1070979825.db2.gz KQJLZTDWOYSURV-SLQAJWMNSA-N 1 2 453.605 3.514 20 0 JHADLO CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001314771556 1071035615 /nfs/dbraw/zinc/03/56/15/1071035615.db2.gz HHTVRGHOOCWACF-OAQYLSRUSA-N 1 2 454.644 3.861 20 0 JHADLO CN(Cc1cscn1)c1nnc(CC(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001314771556 1071035624 /nfs/dbraw/zinc/03/56/24/1071035624.db2.gz HHTVRGHOOCWACF-OAQYLSRUSA-N 1 2 454.644 3.861 20 0 JHADLO CCN(CC1CCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313765675 1071113514 /nfs/dbraw/zinc/11/35/14/1071113514.db2.gz AWUYGSWEPOHQKS-OAQYLSRUSA-N 1 2 471.627 3.871 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(C)C ZINC001313778937 1071141128 /nfs/dbraw/zinc/14/11/28/1071141128.db2.gz LSIGMZVNBWUGLV-JOCHJYFZSA-N 1 2 483.661 3.526 20 0 JHADLO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001313790565 1071183808 /nfs/dbraw/zinc/18/38/08/1071183808.db2.gz DJNPYEISESURFI-UHFFFAOYSA-N 1 2 481.670 3.980 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCS1 ZINC001314870609 1071281976 /nfs/dbraw/zinc/28/19/76/1071281976.db2.gz SBHVHHPIWJFEQE-NRFANRHFSA-N 1 2 498.466 3.901 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1CCCCO1 ZINC001314870919 1071282780 /nfs/dbraw/zinc/28/27/80/1071282780.db2.gz WUQFTSOCSJQQGT-KRWDZBQOSA-N 1 2 498.491 3.887 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 ZINC001314871104 1071283354 /nfs/dbraw/zinc/28/33/54/1071283354.db2.gz MBNZZLGQEZAIAQ-FGZHOGPDSA-N 1 2 488.677 3.517 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(F)(F)F ZINC001314873424 1071290702 /nfs/dbraw/zinc/29/07/02/1071290702.db2.gz DYQBJMCFKXNTJJ-UHFFFAOYSA-N 1 2 461.479 3.504 20 0 JHADLO CCn1nnnc1-c1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001310356186 1071334566 /nfs/dbraw/zinc/33/45/66/1071334566.db2.gz IDEIGNQIXMYBDK-IBGZPJMESA-N 1 2 457.941 3.939 20 0 JHADLO CCn1nnnc1-c1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001310356186 1071334584 /nfs/dbraw/zinc/33/45/84/1071334584.db2.gz IDEIGNQIXMYBDK-IBGZPJMESA-N 1 2 457.941 3.939 20 0 JHADLO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1-c1ncco1 ZINC001310405248 1071370289 /nfs/dbraw/zinc/37/02/89/1071370289.db2.gz MOMBMSXROVDIAX-LJQANCHMSA-N 1 2 455.559 3.809 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001313868784 1071405531 /nfs/dbraw/zinc/40/55/31/1071405531.db2.gz OADNEBHAWCXPFP-YADHBBJMSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001313868784 1071405533 /nfs/dbraw/zinc/40/55/33/1071405533.db2.gz OADNEBHAWCXPFP-YADHBBJMSA-N 1 2 487.714 3.730 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001313872973 1071423624 /nfs/dbraw/zinc/42/36/24/1071423624.db2.gz BNNIBMJPSYTZCM-SFTDATJTSA-N 1 2 491.702 3.643 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001313872973 1071423629 /nfs/dbraw/zinc/42/36/29/1071423629.db2.gz BNNIBMJPSYTZCM-SFTDATJTSA-N 1 2 491.702 3.643 20 0 JHADLO CNC(=O)CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001315021681 1071543114 /nfs/dbraw/zinc/54/31/14/1071543114.db2.gz PCGDIYQYMKYCEM-UHFFFAOYSA-N 1 2 462.598 3.642 20 0 JHADLO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001315028880 1071557037 /nfs/dbraw/zinc/55/70/37/1071557037.db2.gz MPQQDKZETMOGTC-UHFFFAOYSA-N 1 2 496.413 3.560 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001313926159 1071575532 /nfs/dbraw/zinc/57/55/32/1071575532.db2.gz AGRIWZBGVZXFCF-DQEYMECFSA-N 1 2 498.716 3.753 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313926658 1071577053 /nfs/dbraw/zinc/57/70/53/1071577053.db2.gz DYGMMHIQORTVBS-PKTZIBPZSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313926659 1071577665 /nfs/dbraw/zinc/57/76/65/1071577665.db2.gz DYGMMHIQORTVBS-XZOQPEGZSA-N 1 2 484.689 3.504 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313927801 1071582039 /nfs/dbraw/zinc/58/20/39/1071582039.db2.gz NKQPVTNGAYJNGG-GOTSBHOMSA-N 1 2 484.689 3.540 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313928247 1071583085 /nfs/dbraw/zinc/58/30/85/1071583085.db2.gz SYYLXJGZEDUILL-FIPFOOKPSA-N 1 2 498.716 3.833 20 0 JHADLO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313950625 1071639286 /nfs/dbraw/zinc/63/92/86/1071639286.db2.gz AXGVNUYDHPTOBU-OAQYLSRUSA-N 1 2 496.700 3.654 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001314020441 1071771651 /nfs/dbraw/zinc/77/16/51/1071771651.db2.gz LKIZBGPGJNZUDD-HXUWFJFHSA-N 1 2 476.572 3.795 20 0 JHADLO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C1 ZINC001314037865 1071831917 /nfs/dbraw/zinc/83/19/17/1071831917.db2.gz OWSNROMKWBMLTF-HSZRJFAPSA-N 1 2 492.624 3.929 20 0 JHADLO CCOC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001314049094 1071870153 /nfs/dbraw/zinc/87/01/53/1071870153.db2.gz VXYFHVZYKZGJQS-HXUWFJFHSA-N 1 2 496.700 3.847 20 0 JHADLO CCO[C@@H](C)c1noc(CN(C)c2nnc(CC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC001314060615 1071895806 /nfs/dbraw/zinc/89/58/06/1071895806.db2.gz BYZRWCQDWYEJNY-ZWKOTPCHSA-N 1 2 456.595 3.676 20 0 JHADLO CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)s1 ZINC001305962454 1068294769 /nfs/dbraw/zinc/29/47/69/1068294769.db2.gz RJFSMOJRCORJJT-MOPGFXCFSA-N 1 2 458.676 3.597 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCC(COC)CC2)n1Cc1c[nH+]ccc1OC ZINC001305982458 1068327820 /nfs/dbraw/zinc/32/78/20/1068327820.db2.gz GWNSYXMOBCIHOO-UHFFFAOYSA-N 1 2 451.571 3.734 20 0 JHADLO CCc1nnc(N(C)C[C@H](C)Cc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306074458 1068507688 /nfs/dbraw/zinc/50/76/88/1068507688.db2.gz JUISAVXDEVAXKM-NHCUHLMSSA-N 1 2 478.641 3.833 20 0 JHADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(Br)n1 ZINC001306076013 1068508021 /nfs/dbraw/zinc/50/80/21/1068508021.db2.gz QKUNQODFKJFDCB-KRWDZBQOSA-N 1 2 491.459 3.618 20 0 JHADLO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1CCCNc1cccc[nH+]1 ZINC001306144958 1068548024 /nfs/dbraw/zinc/54/80/24/1068548024.db2.gz UVIHTYDZERSTKO-OALUTQOASA-N 1 2 457.623 3.867 20 0 JHADLO CCc1nnc(N2CCC=C(Br)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306160443 1068556907 /nfs/dbraw/zinc/55/69/07/1068556907.db2.gz YXPHAFISSKJQOT-HXUWFJFHSA-N 1 2 460.420 3.711 20 0 JHADLO CCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306166309 1068562257 /nfs/dbraw/zinc/56/22/57/1068562257.db2.gz NPFFEJWYKFIOSK-FYYLOGMGSA-N 1 2 498.672 3.655 20 0 JHADLO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCCNc1cccc[nH+]1 ZINC001306198356 1068590469 /nfs/dbraw/zinc/59/04/69/1068590469.db2.gz JSHIZCUJOILSFT-UHFFFAOYSA-N 1 2 461.401 3.766 20 0 JHADLO CCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306227482 1068612453 /nfs/dbraw/zinc/61/24/53/1068612453.db2.gz RVWVWAWJPSDKIF-MISYRCLQSA-N 1 2 451.537 3.857 20 0 JHADLO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001306229494 1068614361 /nfs/dbraw/zinc/61/43/61/1068614361.db2.gz WUXICDQPOQROLX-QHCPKHFHSA-N 1 2 454.546 3.626 20 0 JHADLO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001306229494 1068614363 /nfs/dbraw/zinc/61/43/63/1068614363.db2.gz WUXICDQPOQROLX-QHCPKHFHSA-N 1 2 454.546 3.626 20 0 JHADLO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1cccc[nH+]1 ZINC001306265601 1068680195 /nfs/dbraw/zinc/68/01/95/1068680195.db2.gz XRGIZSRMLSYZPJ-KNQAVFIVSA-N 1 2 497.669 3.717 20 0 JHADLO CC[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001306306972 1068725441 /nfs/dbraw/zinc/72/54/41/1068725441.db2.gz MPGMVOQTFUUARD-YADHBBJMSA-N 1 2 498.672 3.582 20 0 JHADLO CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306400065 1068857230 /nfs/dbraw/zinc/85/72/30/1068857230.db2.gz MZHONIAKEDHMAU-JRFVFWCSSA-N 1 2 498.672 3.790 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c[nH+]ccc2OC)C[C@@H](C)O1 ZINC001306450428 1068969371 /nfs/dbraw/zinc/96/93/71/1068969371.db2.gz FWLRNNRVQBMART-TZIWHRDSSA-N 1 2 451.571 3.930 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001306457228 1068985246 /nfs/dbraw/zinc/98/52/46/1068985246.db2.gz MGWIBISWOIXPTK-OALUTQOASA-N 1 2 477.700 3.632 20 0 JHADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001306497357 1069046218 /nfs/dbraw/zinc/04/62/18/1069046218.db2.gz UZLNXNBSNOFTKF-QPTUXGOLSA-N 1 2 482.673 3.750 20 0 JHADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001306515934 1069120022 /nfs/dbraw/zinc/12/00/22/1069120022.db2.gz BTKSBCXEYZFBDH-OAQYLSRUSA-N 1 2 467.662 3.653 20 0 JHADLO O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)N1CC[NH+](Cc2ccsc2)CC1 ZINC001310728955 1069140512 /nfs/dbraw/zinc/14/05/12/1069140512.db2.gz ZBFYHFMWYQZDSL-UHFFFAOYSA-N 1 2 452.552 3.802 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754043 1069151155 /nfs/dbraw/zinc/15/11/55/1069151155.db2.gz JWFJRTMYDJAPII-HKUYNNGSSA-N 1 2 450.992 3.884 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ncc(C3CCOCC3)s2)c2ccc(Cl)cc2)C1 ZINC001310754043 1069151163 /nfs/dbraw/zinc/15/11/63/1069151163.db2.gz JWFJRTMYDJAPII-HKUYNNGSSA-N 1 2 450.992 3.884 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306531912 1069172961 /nfs/dbraw/zinc/17/29/61/1069172961.db2.gz WSHDZDNTPYNHKB-SHQCIBLASA-N 1 2 468.690 3.663 20 0 JHADLO CCOc1ccccc1[C@](N)(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC001306542133 1069191738 /nfs/dbraw/zinc/19/17/38/1069191738.db2.gz JIJVKRRIJDGORX-ZHRRBRCNSA-N 1 2 451.489 3.834 20 0 JHADLO O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001310990401 1069242418 /nfs/dbraw/zinc/24/24/18/1069242418.db2.gz HLHGHRAHMOYCHT-LLVKDONJSA-N 1 2 452.355 3.902 20 0 JHADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306583924 1069248799 /nfs/dbraw/zinc/24/87/99/1069248799.db2.gz DTAXBQSUSMVABU-KSEOMHKRSA-N 1 2 468.646 3.639 20 0 JHADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC001311076777 1069265416 /nfs/dbraw/zinc/26/54/16/1069265416.db2.gz DIXRVGGUJMZQAP-UHFFFAOYSA-N 1 2 450.543 3.503 20 0 JHADLO [O-][n+]1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc1Cl ZINC001164417257 718891108 /nfs/dbraw/zinc/89/11/08/718891108.db2.gz IQAPKPPWWWFJGD-ZDUSSCGKSA-N 1 2 459.678 3.506 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164658418 719350241 /nfs/dbraw/zinc/35/02/41/719350241.db2.gz GLBDUYGWNDTCNA-SFHVURJKSA-N 1 2 457.582 3.617 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164658418 719350246 /nfs/dbraw/zinc/35/02/46/719350246.db2.gz GLBDUYGWNDTCNA-SFHVURJKSA-N 1 2 457.582 3.617 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164660977 719353984 /nfs/dbraw/zinc/35/39/84/719353984.db2.gz ZSTYTJUIGFXJOJ-UHFFFAOYSA-N 1 2 480.616 3.986 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164660977 719353988 /nfs/dbraw/zinc/35/39/88/719353988.db2.gz ZSTYTJUIGFXJOJ-UHFFFAOYSA-N 1 2 480.616 3.986 20 0 JHADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)C1 ZINC001164672772 719521935 /nfs/dbraw/zinc/52/19/35/719521935.db2.gz NSBQBWMSMNUGHV-NRFANRHFSA-N 1 2 466.601 3.964 20 0 JHADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)C1 ZINC001164672772 719521942 /nfs/dbraw/zinc/52/19/42/719521942.db2.gz NSBQBWMSMNUGHV-NRFANRHFSA-N 1 2 466.601 3.964 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164698352 719850818 /nfs/dbraw/zinc/85/08/18/719850818.db2.gz BNMXWNAAIISQSN-UWJYYQICSA-N 1 2 453.917 3.666 20 0 JHADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C2)C1 ZINC001164717569 720241603 /nfs/dbraw/zinc/24/16/03/720241603.db2.gz BHUVUEHOTBVLID-OAQYLSRUSA-N 1 2 487.378 3.751 20 0 JHADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C2)C1 ZINC001164717569 720241614 /nfs/dbraw/zinc/24/16/14/720241614.db2.gz BHUVUEHOTBVLID-OAQYLSRUSA-N 1 2 487.378 3.751 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5ccccc54)CC3)C2=O)cs1 ZINC001164831145 720356425 /nfs/dbraw/zinc/35/64/25/720356425.db2.gz XWCXWUCXGXENAY-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5ccccc54)CC3)C2=O)cs1 ZINC001164831145 720356433 /nfs/dbraw/zinc/35/64/33/720356433.db2.gz XWCXWUCXGXENAY-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164825635 720366758 /nfs/dbraw/zinc/36/67/58/720366758.db2.gz SEEQXISZWUCOBM-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164825635 720366764 /nfs/dbraw/zinc/36/67/64/720366764.db2.gz SEEQXISZWUCOBM-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO CSc1ccnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819708 720373931 /nfs/dbraw/zinc/37/39/31/720373931.db2.gz GPVGNRRLODNOIP-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO CSc1ccnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819708 720373938 /nfs/dbraw/zinc/37/39/38/720373938.db2.gz GPVGNRRLODNOIP-UHFFFAOYSA-N 1 2 452.049 3.535 20 0 JHADLO CCc1nc2sc3c(c2c(N2CCC4(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]4C)n1)CCC3 ZINC001164819877 720379402 /nfs/dbraw/zinc/37/94/02/720379402.db2.gz IWGGSHWZAXSZDK-UHFFFAOYSA-N 1 2 496.706 3.821 20 0 JHADLO CCc1nc2sc3c(c2c(N2CCC4(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]4C)n1)CCC3 ZINC001164819877 720379412 /nfs/dbraw/zinc/37/94/12/720379412.db2.gz IWGGSHWZAXSZDK-UHFFFAOYSA-N 1 2 496.706 3.821 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4OCc4ccc(F)cc4)CC3)C2=O)cs1 ZINC001164823661 720381774 /nfs/dbraw/zinc/38/17/74/720381774.db2.gz PEHZMUMQRVSEGT-UHFFFAOYSA-N 1 2 495.624 3.878 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4OCc4ccc(F)cc4)CC3)C2=O)cs1 ZINC001164823661 720381784 /nfs/dbraw/zinc/38/17/84/720381784.db2.gz PEHZMUMQRVSEGT-UHFFFAOYSA-N 1 2 495.624 3.878 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)nc(Cl)nc4C4CC4)CC3)C2=O)cs1 ZINC001164820456 720384963 /nfs/dbraw/zinc/38/49/63/720384963.db2.gz BQWMTQDPCBIPQO-UHFFFAOYSA-N 1 2 481.453 3.739 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)nc(Cl)nc4C4CC4)CC3)C2=O)cs1 ZINC001164820456 720384969 /nfs/dbraw/zinc/38/49/69/720384969.db2.gz BQWMTQDPCBIPQO-UHFFFAOYSA-N 1 2 481.453 3.739 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825323 720387349 /nfs/dbraw/zinc/38/73/49/720387349.db2.gz VANGFOFHIMIMDS-ISJGIBHGSA-N 1 2 477.634 3.753 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825323 720387352 /nfs/dbraw/zinc/38/73/52/720387352.db2.gz VANGFOFHIMIMDS-ISJGIBHGSA-N 1 2 477.634 3.753 20 0 JHADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826873 720398124 /nfs/dbraw/zinc/39/81/24/720398124.db2.gz DHUYJYWNQVXCKC-UHFFFAOYSA-N 1 2 465.295 3.728 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830083 720398331 /nfs/dbraw/zinc/39/83/31/720398331.db2.gz PRGWRSKROWNBKW-UHFFFAOYSA-N 1 2 456.888 3.589 20 0 JHADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1-c1ccccc1)C2 ZINC001164827154 720450646 /nfs/dbraw/zinc/45/06/46/720450646.db2.gz ZLXBVRGTPNTAHR-FQEVSTJZSA-N 1 2 468.001 3.588 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164833235 720462730 /nfs/dbraw/zinc/46/27/30/720462730.db2.gz ZMMRVJASPQTLGS-GOSISDBHSA-N 1 2 491.970 3.619 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3c(Cl)nccc3c1)C2 ZINC001164828890 720477067 /nfs/dbraw/zinc/47/70/67/720477067.db2.gz BXPAMCFOISOSDD-GOSISDBHSA-N 1 2 491.970 3.619 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736205 720537803 /nfs/dbraw/zinc/53/78/03/720537803.db2.gz VXVKKRLCULOMJS-FIPFOOKPSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736205 720537807 /nfs/dbraw/zinc/53/78/07/720537807.db2.gz VXVKKRLCULOMJS-FIPFOOKPSA-N 1 2 471.605 3.884 20 0 JHADLO Clc1nc2c(c(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)n1)CN(Cc1ccccc1)C2 ZINC001164874138 721218495 /nfs/dbraw/zinc/21/84/95/721218495.db2.gz SLFVLKOUAGZXDQ-UHFFFAOYSA-N 1 2 477.012 3.917 20 0 JHADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770633 721275235 /nfs/dbraw/zinc/27/52/35/721275235.db2.gz VJEXPRPZRSYDDI-ZDUSSCGKSA-N 1 2 455.296 3.721 20 0 JHADLO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164909469 721762160 /nfs/dbraw/zinc/76/21/60/721762160.db2.gz AOYZBTYNWSNIAI-UHFFFAOYSA-N 1 2 459.888 3.686 20 0 JHADLO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164909469 721762164 /nfs/dbraw/zinc/76/21/64/721762164.db2.gz AOYZBTYNWSNIAI-UHFFFAOYSA-N 1 2 459.888 3.686 20 0 JHADLO c1ccc(-c2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914048 721780858 /nfs/dbraw/zinc/78/08/58/721780858.db2.gz AJDPBINJDKVAPS-MUUNZHRXSA-N 1 2 467.573 3.800 20 0 JHADLO c1ccc(-c2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914048 721780859 /nfs/dbraw/zinc/78/08/59/721780859.db2.gz AJDPBINJDKVAPS-MUUNZHRXSA-N 1 2 467.573 3.800 20 0 JHADLO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1 ZINC001164948356 721981357 /nfs/dbraw/zinc/98/13/57/721981357.db2.gz LEKGMCWOWCCYAB-UHFFFAOYSA-N 1 2 493.995 3.902 20 0 JHADLO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1 ZINC001164948356 721981361 /nfs/dbraw/zinc/98/13/61/721981361.db2.gz LEKGMCWOWCCYAB-UHFFFAOYSA-N 1 2 493.995 3.902 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CC2 ZINC001164950460 721982052 /nfs/dbraw/zinc/98/20/52/721982052.db2.gz UZASRQQHGKDTTM-UHFFFAOYSA-N 1 2 489.451 3.745 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CC2 ZINC001164950460 721982054 /nfs/dbraw/zinc/98/20/54/721982054.db2.gz UZASRQQHGKDTTM-UHFFFAOYSA-N 1 2 489.451 3.745 20 0 JHADLO CCC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001306627233 1069323972 /nfs/dbraw/zinc/32/39/72/1069323972.db2.gz SXNHNZPZYJBQOD-UGKGYDQZSA-N 1 2 470.568 3.850 20 0 JHADLO CCC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633265 1069335604 /nfs/dbraw/zinc/33/56/04/1069335604.db2.gz RUJUREKRLCYZSB-NHCUHLMSSA-N 1 2 459.660 3.605 20 0 JHADLO CO[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CC1(C)C ZINC001311377794 1069350914 /nfs/dbraw/zinc/35/09/14/1069350914.db2.gz GGFOMGOBULTYIA-JOCHJYFZSA-N 1 2 455.578 3.504 20 0 JHADLO CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001306644987 1069356323 /nfs/dbraw/zinc/35/63/23/1069356323.db2.gz SBVKZDLYSOLQHQ-UHFFFAOYSA-N 1 2 451.575 3.578 20 0 JHADLO CCCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306645993 1069357636 /nfs/dbraw/zinc/35/76/36/1069357636.db2.gz MMBVZMPGGFXTJZ-QHCPKHFHSA-N 1 2 454.663 3.675 20 0 JHADLO Cc1cccc([C@@H](CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)N2CCOCC2)c1 ZINC001311392732 1069359058 /nfs/dbraw/zinc/35/90/58/1069359058.db2.gz WUHFDEOANYBGKP-HSZRJFAPSA-N 1 2 453.974 3.707 20 0 JHADLO CCCCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001306676241 1069400432 /nfs/dbraw/zinc/40/04/32/1069400432.db2.gz FAWHPGPWZITYKF-UHFFFAOYSA-N 1 2 450.587 3.682 20 0 JHADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC(C1CC1)C1CC1 ZINC001311515206 1069418247 /nfs/dbraw/zinc/41/82/47/1069418247.db2.gz BANLWVNPHQGZSO-SFHVURJKSA-N 1 2 453.368 3.743 20 0 JHADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC(C1CC1)C1CC1 ZINC001311515206 1069418251 /nfs/dbraw/zinc/41/82/51/1069418251.db2.gz BANLWVNPHQGZSO-SFHVURJKSA-N 1 2 453.368 3.743 20 0 JHADLO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)NCc1cc[nH+]c(N3CCCCC3)c1)C2 ZINC001311532703 1069426465 /nfs/dbraw/zinc/42/64/65/1069426465.db2.gz LCQFFPAVGHPYSK-CPJSRVTESA-N 1 2 457.619 3.908 20 0 JHADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311598737 1069458074 /nfs/dbraw/zinc/45/80/74/1069458074.db2.gz UKCTWTZPEZEOHR-PBHICJAKSA-N 1 2 459.348 3.555 20 0 JHADLO CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1OCC(=O)N(C)C ZINC001311618141 1069469944 /nfs/dbraw/zinc/46/99/44/1069469944.db2.gz YFWDZOISMWYERF-QFIPXVFZSA-N 1 2 455.603 3.703 20 0 JHADLO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC001311682028 1069501827 /nfs/dbraw/zinc/50/18/27/1069501827.db2.gz GLNDDJVRFPKAME-IIBYNOLFSA-N 1 2 453.493 3.702 20 0 JHADLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC001311706212 1069511805 /nfs/dbraw/zinc/51/18/05/1069511805.db2.gz OQJUFPSRZKEPEW-RTWAWAEBSA-N 1 2 458.971 3.538 20 0 JHADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723209 1069521718 /nfs/dbraw/zinc/52/17/18/1069521718.db2.gz LAHFOHKIOZNBFC-MUUNZHRXSA-N 1 2 456.634 3.956 20 0 JHADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723209 1069521720 /nfs/dbraw/zinc/52/17/20/1069521720.db2.gz LAHFOHKIOZNBFC-MUUNZHRXSA-N 1 2 456.634 3.956 20 0 JHADLO C[C@]12CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C[C@H]1C2(Br)Br ZINC001311765704 1069538254 /nfs/dbraw/zinc/53/82/54/1069538254.db2.gz NXMYDPPUBQPDIE-WBVHZDCISA-N 1 2 468.193 3.910 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759840 1069535435 /nfs/dbraw/zinc/53/54/35/1069535435.db2.gz LDAXAVCPKLEHPM-DHLKQENFSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001311759840 1069535438 /nfs/dbraw/zinc/53/54/38/1069535438.db2.gz LDAXAVCPKLEHPM-DHLKQENFSA-N 1 2 458.002 3.539 20 0 JHADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001306755714 1069552757 /nfs/dbraw/zinc/55/27/57/1069552757.db2.gz XSMHZTFTNNYEFJ-VGOFRKELSA-N 1 2 450.564 3.664 20 0 JHADLO CCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306772932 1069570850 /nfs/dbraw/zinc/57/08/50/1069570850.db2.gz JVVXZJCYBFQSJV-KRWDZBQOSA-N 1 2 456.541 3.662 20 0 JHADLO CC(C)C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836883 1069572126 /nfs/dbraw/zinc/57/21/26/1069572126.db2.gz FWXPFEAGRKXGJO-SIKLNZKXSA-N 1 2 457.537 3.708 20 0 JHADLO CC(C)C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001311836883 1069572133 /nfs/dbraw/zinc/57/21/33/1069572133.db2.gz FWXPFEAGRKXGJO-SIKLNZKXSA-N 1 2 457.537 3.708 20 0 JHADLO O=C(CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC001311867872 1069587823 /nfs/dbraw/zinc/58/78/23/1069587823.db2.gz QYNXFFGCNAGRDG-XMMPIXPASA-N 1 2 455.002 3.769 20 0 JHADLO O=C(NCc1ccccc1Cn1cncn1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001306831903 1069649037 /nfs/dbraw/zinc/64/90/37/1069649037.db2.gz ZLIRLQLWCVKAFJ-OAQYLSRUSA-N 1 2 454.372 3.542 20 0 JHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976172 1069646526 /nfs/dbraw/zinc/64/65/26/1069646526.db2.gz OLAWMMJGKXPDIL-XCLNPWKQSA-N 1 2 451.011 3.887 20 0 JHADLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001311976172 1069646531 /nfs/dbraw/zinc/64/65/31/1069646531.db2.gz OLAWMMJGKXPDIL-XCLNPWKQSA-N 1 2 451.011 3.887 20 0 JHADLO CCOc1cc2c(cc1OCC)CN(c1nnc([C@H](C)CC)n1C[C@H](C)[NH+]1CCOCC1)CC2 ZINC001314166730 1069666531 /nfs/dbraw/zinc/66/65/31/1069666531.db2.gz YMSGKNXDABBIMM-UXHICEINSA-N 1 2 471.646 3.872 20 0 JHADLO CCOc1cc2c(cc1OCC)CN(c1nnc(CC)n1Cc1ccc(N(C)C)[nH+]c1)CC2 ZINC001314166374 1069665451 /nfs/dbraw/zinc/66/54/51/1069665451.db2.gz VLQZPCYWNPLPAB-UHFFFAOYSA-N 1 2 450.587 3.710 20 0 JHADLO CCCCCn1nc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)c2ccccc2c1=O ZINC001306874996 1069669681 /nfs/dbraw/zinc/66/96/81/1069669681.db2.gz PGJIXIVUGDIKME-UHFFFAOYSA-N 1 2 452.946 3.864 20 0 JHADLO O=C(NCCOC[C@H]1CCCO1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001312027288 1069682532 /nfs/dbraw/zinc/68/25/32/1069682532.db2.gz LXBHLHHBXOWGFZ-RPWUZVMVSA-N 1 2 458.002 3.952 20 0 JHADLO O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312049783 1069693316 /nfs/dbraw/zinc/69/33/16/1069693316.db2.gz UPQMVMBYCNAOGV-SVBPBHIXSA-N 1 2 459.590 3.630 20 0 JHADLO CCOc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314180904 1069723982 /nfs/dbraw/zinc/72/39/82/1069723982.db2.gz RYGWHRWMXJNZRE-DEOSSOPVSA-N 1 2 482.673 3.771 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314190619 1069750560 /nfs/dbraw/zinc/75/05/60/1069750560.db2.gz AOETWMAXXBZFRG-XSDIEEQYSA-N 1 2 489.686 3.868 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001314191919 1069754962 /nfs/dbraw/zinc/75/49/62/1069754962.db2.gz QRVSDFHRSYKMSM-QHAWAJNXSA-N 1 2 487.645 3.541 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001314191919 1069754969 /nfs/dbraw/zinc/75/49/69/1069754969.db2.gz QRVSDFHRSYKMSM-QHAWAJNXSA-N 1 2 487.645 3.541 20 0 JHADLO CCOc1ccc(O[C@@H](C)c2nnc(N3CC=CCC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001314193696 1069761890 /nfs/dbraw/zinc/76/18/90/1069761890.db2.gz NTTKRQDLOAQWOF-FQEVSTJZSA-N 1 2 455.603 3.694 20 0 JHADLO Cc1cccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492479328 1069792839 /nfs/dbraw/zinc/79/28/39/1069792839.db2.gz FBOIMOGMCBJYFL-DNQXCXABSA-N 1 2 485.673 3.805 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC001312225388 1069793440 /nfs/dbraw/zinc/79/34/40/1069793440.db2.gz AGXRSGSQUUVTRH-OAQYLSRUSA-N 1 2 455.599 3.835 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC001312225388 1069793453 /nfs/dbraw/zinc/79/34/53/1069793453.db2.gz AGXRSGSQUUVTRH-OAQYLSRUSA-N 1 2 455.599 3.835 20 0 JHADLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC001312287827 1069839837 /nfs/dbraw/zinc/83/98/37/1069839837.db2.gz VVSAVCOHWBNBGM-QGZVFWFLSA-N 1 2 453.518 3.781 20 0 JHADLO CCOc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001314212622 1069839239 /nfs/dbraw/zinc/83/92/39/1069839239.db2.gz PLKYIYAEXOEJMJ-UHFFFAOYSA-N 1 2 463.630 3.933 20 0 JHADLO COCC[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccco1 ZINC001312367352 1069890851 /nfs/dbraw/zinc/89/08/51/1069890851.db2.gz XYLSRDURCINHMO-MRXNPFEDSA-N 1 2 451.321 3.821 20 0 JHADLO COc1ccc(/C=C2\N=C(SCC[N@@H+]3CCO[C@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282194 1069927061 /nfs/dbraw/zinc/92/70/61/1069927061.db2.gz ZJWHPDIPCRQXGP-CCQQXMDGSA-N 1 2 451.592 3.888 20 0 JHADLO COc1ccc(/C=C2\N=C(SCC[N@H+]3CCO[C@H](C)C3)N(Cc3ccccc3)C2=O)cc1 ZINC001307282194 1069927075 /nfs/dbraw/zinc/92/70/75/1069927075.db2.gz ZJWHPDIPCRQXGP-CCQQXMDGSA-N 1 2 451.592 3.888 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001312425735 1069928246 /nfs/dbraw/zinc/92/82/46/1069928246.db2.gz LBKJJIXVRZFPHU-PMACEKPBSA-N 1 2 451.995 3.525 20 0 JHADLO COC(=O)C1(CCCCNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001312425735 1069928254 /nfs/dbraw/zinc/92/82/54/1069928254.db2.gz LBKJJIXVRZFPHU-PMACEKPBSA-N 1 2 451.995 3.525 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312427656 1069930930 /nfs/dbraw/zinc/93/09/30/1069930930.db2.gz YHCVEKALRIGOJN-JTHBVZDNSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312427656 1069930937 /nfs/dbraw/zinc/93/09/37/1069930937.db2.gz YHCVEKALRIGOJN-JTHBVZDNSA-N 1 2 453.974 3.943 20 0 JHADLO CCCC(=O)NC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC001307416276 1069973258 /nfs/dbraw/zinc/97/32/58/1069973258.db2.gz YYUFWLGRCQFEBO-OAQYLSRUSA-N 1 2 456.974 3.991 20 0 JHADLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC001307423643 1069976748 /nfs/dbraw/zinc/97/67/48/1069976748.db2.gz LHJFGMOVONECND-LPHOPBHVSA-N 1 2 456.368 3.644 20 0 JHADLO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1Cl ZINC001312501071 1069976728 /nfs/dbraw/zinc/97/67/28/1069976728.db2.gz WEGQLXOHTNULFK-FPOVZHCZSA-N 1 2 458.971 3.668 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425490 1069978346 /nfs/dbraw/zinc/97/83/46/1069978346.db2.gz HCPCHZYSLFBHBY-UNMCSNQZSA-N 1 2 455.357 3.950 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425490 1069978358 /nfs/dbraw/zinc/97/83/58/1069978358.db2.gz HCPCHZYSLFBHBY-UNMCSNQZSA-N 1 2 455.357 3.950 20 0 JHADLO COC(=O)c1ccc(N2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@@H](C)C2)cc1 ZINC001307450503 1069991339 /nfs/dbraw/zinc/99/13/39/1069991339.db2.gz MZRQQOVMHSYHBV-PMACEKPBSA-N 1 2 450.583 3.611 20 0 JHADLO COC(=O)c1ccc(N2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)[C@@H](C)C2)cc1 ZINC001307450503 1069991360 /nfs/dbraw/zinc/99/13/60/1069991360.db2.gz MZRQQOVMHSYHBV-PMACEKPBSA-N 1 2 450.583 3.611 20 0 JHADLO COc1cc(NC(=O)C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c(OC)cc1Cl ZINC001307458621 1069996592 /nfs/dbraw/zinc/99/65/92/1069996592.db2.gz TZBWNFMZVWRZOF-HXUWFJFHSA-N 1 2 451.995 3.799 20 0 JHADLO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2ncsc2c1 ZINC001312543569 1070003722 /nfs/dbraw/zinc/00/37/22/1070003722.db2.gz NTEMVAQSKDMBQO-AEFFLSMTSA-N 1 2 459.616 3.694 20 0 JHADLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc2ncsc2c1 ZINC001312543570 1070003858 /nfs/dbraw/zinc/00/38/58/1070003858.db2.gz NTEMVAQSKDMBQO-FUHWJXTLSA-N 1 2 459.616 3.694 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001312556995 1070011839 /nfs/dbraw/zinc/01/18/39/1070011839.db2.gz UJDPMZSCEVQWDV-NQSCKRDGSA-N 1 2 458.603 3.916 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC001307506620 1070024471 /nfs/dbraw/zinc/02/44/71/1070024471.db2.gz FMLWWHUWLVPCFO-LJQANCHMSA-N 1 2 458.580 3.746 20 0 JHADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC001307506620 1070024488 /nfs/dbraw/zinc/02/44/88/1070024488.db2.gz FMLWWHUWLVPCFO-LJQANCHMSA-N 1 2 458.580 3.746 20 0 JHADLO CC1(C)C(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)C1(C)C ZINC001312586985 1070031564 /nfs/dbraw/zinc/03/15/64/1070031564.db2.gz VEKXPDSRNZJOAH-MRXNPFEDSA-N 1 2 455.384 3.989 20 0 JHADLO CC1(C)C(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)C1(C)C ZINC001312586985 1070031575 /nfs/dbraw/zinc/03/15/75/1070031575.db2.gz VEKXPDSRNZJOAH-MRXNPFEDSA-N 1 2 455.384 3.989 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538545 1070041269 /nfs/dbraw/zinc/04/12/69/1070041269.db2.gz AUPBKLFLIXQKQP-OALUTQOASA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001307538545 1070041285 /nfs/dbraw/zinc/04/12/85/1070041285.db2.gz AUPBKLFLIXQKQP-OALUTQOASA-N 1 2 458.024 3.741 20 0 JHADLO CCOCc1nnc(N(C)Cc2scnc2C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314301579 1070086333 /nfs/dbraw/zinc/08/63/33/1070086333.db2.gz KFANRTFSHRGINS-OAQYLSRUSA-N 1 2 470.643 3.598 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001314304900 1070091274 /nfs/dbraw/zinc/09/12/74/1070091274.db2.gz QFFLRMXXEAOCBR-KRWDZBQOSA-N 1 2 488.999 3.744 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001314304900 1070091291 /nfs/dbraw/zinc/09/12/91/1070091291.db2.gz QFFLRMXXEAOCBR-KRWDZBQOSA-N 1 2 488.999 3.744 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715873 1070092156 /nfs/dbraw/zinc/09/21/56/1070092156.db2.gz BNNALBCMNDSVBF-LPHOPBHVSA-N 1 2 454.974 3.781 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312715873 1070092170 /nfs/dbraw/zinc/09/21/70/1070092170.db2.gz BNNALBCMNDSVBF-LPHOPBHVSA-N 1 2 454.974 3.781 20 0 JHADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001307647455 1070099762 /nfs/dbraw/zinc/09/97/62/1070099762.db2.gz DKGFUYWGQOIKKX-UHFFFAOYSA-N 1 2 455.624 3.902 20 0 JHADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001307647455 1070099773 /nfs/dbraw/zinc/09/97/73/1070099773.db2.gz DKGFUYWGQOIKKX-UHFFFAOYSA-N 1 2 455.624 3.902 20 0 JHADLO O=C(NCc1cc(F)cnc1Cl)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001312755205 1070105171 /nfs/dbraw/zinc/10/51/71/1070105171.db2.gz ZPSCXSOFVLPQKG-UHFFFAOYSA-N 1 2 456.703 3.838 20 0 JHADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307665080 1070111259 /nfs/dbraw/zinc/11/12/59/1070111259.db2.gz PSOSZXQROVUAEK-OXJNMPFZSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307665080 1070111273 /nfs/dbraw/zinc/11/12/73/1070111273.db2.gz PSOSZXQROVUAEK-OXJNMPFZSA-N 1 2 454.951 3.673 20 0 JHADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001307672365 1070116201 /nfs/dbraw/zinc/11/62/01/1070116201.db2.gz RCHRMUNKGBOLOV-LLVKDONJSA-N 1 2 458.765 3.685 20 0 JHADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001307672365 1070116209 /nfs/dbraw/zinc/11/62/09/1070116209.db2.gz RCHRMUNKGBOLOV-LLVKDONJSA-N 1 2 458.765 3.685 20 0 JHADLO CCOCc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001314329042 1070120081 /nfs/dbraw/zinc/12/00/81/1070120081.db2.gz UQXIROGACCOFLK-NRFANRHFSA-N 1 2 497.688 3.625 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001314331671 1070124562 /nfs/dbraw/zinc/12/45/62/1070124562.db2.gz FHJIGFIMTDZQSE-NRFANRHFSA-N 1 2 490.446 3.767 20 0 JHADLO CCOc1ccccc1OCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC001307690006 1070127382 /nfs/dbraw/zinc/12/73/82/1070127382.db2.gz FXBNBDKBLNZDSA-UHFFFAOYSA-N 1 2 453.366 3.994 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@H]3[C@H](c4ccccc4)C3(C)C)CC2)C1 ZINC001312836971 1070147048 /nfs/dbraw/zinc/14/70/48/1070147048.db2.gz APVCMWDZJPXRCS-FSSWDIPSSA-N 1 2 456.631 3.763 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@@H](C)O1 ZINC001307731902 1070155208 /nfs/dbraw/zinc/15/52/08/1070155208.db2.gz MUNRKTHCYUOENU-FGZHOGPDSA-N 1 2 459.594 3.774 20 0 JHADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](CCc3ccccn3)Cc3cccnc3)cc2)C[C@@H](C)O1 ZINC001307731902 1070155217 /nfs/dbraw/zinc/15/52/17/1070155217.db2.gz MUNRKTHCYUOENU-FGZHOGPDSA-N 1 2 459.594 3.774 20 0 JHADLO CCOc1ccc(-n2c3nnc(C[N@H+](C)C[C@H](C)OC)n3c3cc(Cl)ccc3c2=O)cc1 ZINC001307745130 1070162734 /nfs/dbraw/zinc/16/27/34/1070162734.db2.gz CQJXKLUJRHOGDM-HNNXBMFYSA-N 1 2 455.946 3.552 20 0 JHADLO CCOc1ccc(-n2c3nnc(C[N@@H+](C)C[C@H](C)OC)n3c3cc(Cl)ccc3c2=O)cc1 ZINC001307745130 1070162743 /nfs/dbraw/zinc/16/27/43/1070162743.db2.gz CQJXKLUJRHOGDM-HNNXBMFYSA-N 1 2 455.946 3.552 20 0 JHADLO CCOCc1nnc(N2CCc3c(F)cc(F)cc3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001314356253 1070177517 /nfs/dbraw/zinc/17/75/17/1070177517.db2.gz ABPIZJFBVDCBJU-UHFFFAOYSA-N 1 2 456.541 3.945 20 0 JHADLO CCOCc1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314353063 1070173154 /nfs/dbraw/zinc/17/31/54/1070173154.db2.gz GAYOWYJBFCVGPN-XMSQKQJNSA-N 1 2 451.587 3.729 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@@H](c3cnn(C)c3)C(C)(C)C1)C[C@@H](C)CC2 ZINC001307799279 1070187006 /nfs/dbraw/zinc/18/70/06/1070187006.db2.gz LODXVEPAWXZFET-YJBOKZPZSA-N 1 2 458.628 3.847 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@@H](c3cnn(C)c3)C(C)(C)C1)C[C@@H](C)CC2 ZINC001307799279 1070187009 /nfs/dbraw/zinc/18/70/09/1070187009.db2.gz LODXVEPAWXZFET-YJBOKZPZSA-N 1 2 458.628 3.847 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)n2)CC1 ZINC001307854572 1070211939 /nfs/dbraw/zinc/21/19/39/1070211939.db2.gz IMKIXOABXQAXBW-ZWKOTPCHSA-N 1 2 450.649 3.613 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 ZINC001313017565 1070222772 /nfs/dbraw/zinc/22/27/72/1070222772.db2.gz XOYCKLDIOUHSDZ-FCHUYYIVSA-N 1 2 453.974 3.562 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 ZINC001313017573 1070223636 /nfs/dbraw/zinc/22/36/36/1070223636.db2.gz XOYCKLDIOUHSDZ-YADHBBJMSA-N 1 2 453.974 3.562 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001314392103 1070247203 /nfs/dbraw/zinc/24/72/03/1070247203.db2.gz NTTYOCVQXPLXPO-HXUWFJFHSA-N 1 2 497.619 3.970 20 0 JHADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@H](C)c1ccc(OC)cc1 ZINC001314392555 1070249347 /nfs/dbraw/zinc/24/93/47/1070249347.db2.gz RGOCPLPKDXLEIL-FQEVSTJZSA-N 1 2 450.587 3.739 20 0 JHADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1C ZINC001307941655 1070252298 /nfs/dbraw/zinc/25/22/98/1070252298.db2.gz PKJLJPMVTVFGLD-MAUKXSAKSA-N 1 2 455.521 3.918 20 0 JHADLO COc1cc(NC(=O)C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)cc(OC)c1OC ZINC001307955002 1070257064 /nfs/dbraw/zinc/25/70/64/1070257064.db2.gz VEAUPDBGSSNBAF-UHFFFAOYSA-N 1 2 458.559 3.646 20 0 JHADLO CCOCc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1Cc1c[nH+]ccc1OC ZINC001314403810 1070266219 /nfs/dbraw/zinc/26/62/19/1070266219.db2.gz WTUVBBNDGUZFDL-HXUWFJFHSA-N 1 2 488.386 3.607 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001307982703 1070269517 /nfs/dbraw/zinc/26/95/17/1070269517.db2.gz MPTHAQKEXJGKHG-GBESFXJTSA-N 1 2 453.505 3.890 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001307982703 1070269534 /nfs/dbraw/zinc/26/95/34/1070269534.db2.gz MPTHAQKEXJGKHG-GBESFXJTSA-N 1 2 453.505 3.890 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168154 1070277926 /nfs/dbraw/zinc/27/79/26/1070277926.db2.gz NLLZBUMWLCAMEN-SDHSZQHLSA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168154 1070277938 /nfs/dbraw/zinc/27/79/38/1070277938.db2.gz NLLZBUMWLCAMEN-SDHSZQHLSA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170314 1070278967 /nfs/dbraw/zinc/27/89/67/1070278967.db2.gz XRKKFGVYYGQQJU-QGZVFWFLSA-N 1 2 452.418 3.562 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170314 1070278979 /nfs/dbraw/zinc/27/89/79/1070278979.db2.gz XRKKFGVYYGQQJU-QGZVFWFLSA-N 1 2 452.418 3.562 20 0 JHADLO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)CC1 ZINC001308014442 1070280949 /nfs/dbraw/zinc/28/09/49/1070280949.db2.gz GFQFYPJMEYQFGJ-MHZLTWQESA-N 1 2 451.586 3.687 20 0 JHADLO O=C(CCc1ccccc1)NC1CCN(C(=O)C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)CC1 ZINC001308014442 1070280962 /nfs/dbraw/zinc/28/09/62/1070280962.db2.gz GFQFYPJMEYQFGJ-MHZLTWQESA-N 1 2 451.586 3.687 20 0 JHADLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](CO)C1 ZINC001308066926 1070300623 /nfs/dbraw/zinc/30/06/23/1070300623.db2.gz DYGJZNICJMQGBC-IBGZPJMESA-N 1 2 455.555 3.721 20 0 JHADLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](CO)C1 ZINC001308066926 1070300640 /nfs/dbraw/zinc/30/06/40/1070300640.db2.gz DYGJZNICJMQGBC-IBGZPJMESA-N 1 2 455.555 3.721 20 0 JHADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001313246297 1070304227 /nfs/dbraw/zinc/30/42/27/1070304227.db2.gz ATRMMJJZZIDGNK-QFIPXVFZSA-N 1 2 451.615 3.672 20 0 JHADLO CN(Cc1nccs1)C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001313277529 1070313180 /nfs/dbraw/zinc/31/31/80/1070313180.db2.gz QWPIIOSMOKOJSJ-UHFFFAOYSA-N 1 2 459.616 3.537 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001308111769 1070316241 /nfs/dbraw/zinc/31/62/41/1070316241.db2.gz WPUXAOGYKLDXNX-FDDCHVKYSA-N 1 2 452.617 3.628 20 0 JHADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001308111769 1070316262 /nfs/dbraw/zinc/31/62/62/1070316262.db2.gz WPUXAOGYKLDXNX-FDDCHVKYSA-N 1 2 452.617 3.628 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C2 ZINC001308147415 1070328299 /nfs/dbraw/zinc/32/82/99/1070328299.db2.gz FKAFBTXXMBGVEH-LXZKKBNFSA-N 1 2 452.481 3.559 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C2 ZINC001308147415 1070328316 /nfs/dbraw/zinc/32/83/16/1070328316.db2.gz FKAFBTXXMBGVEH-LXZKKBNFSA-N 1 2 452.481 3.559 20 0 JHADLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2I)c(Cl)c1 ZINC001308143960 1070327960 /nfs/dbraw/zinc/32/79/60/1070327960.db2.gz QGCVRULNRVQCHP-YVEFUNNKSA-N 1 2 458.727 3.903 20 0 JHADLO COc1cc([C@@H](C)[NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)ccc1S(C)(=O)=O ZINC001308168866 1070334423 /nfs/dbraw/zinc/33/44/23/1070334423.db2.gz UVPVCBZPIBLVTG-GFCCVEGCSA-N 1 2 459.549 3.920 20 0 JHADLO Cc1cc(Br)cc(CNCc2cccnc2N2CC[NH+](C)CC2)c1OC(F)F ZINC001308231186 1070343317 /nfs/dbraw/zinc/34/33/17/1070343317.db2.gz SPZLVIUIAMOCPJ-UHFFFAOYSA-N 1 2 455.347 3.796 20 0 JHADLO Cc1ccc(C2(NC(=O)NC[C@H](C)[NH+]3CCN(C)CC3)CCCCC2)c(Br)c1 ZINC001313429084 1070357505 /nfs/dbraw/zinc/35/75/05/1070357505.db2.gz XUVNGMPQMOXGGE-SFHVURJKSA-N 1 2 451.453 3.852 20 0 JHADLO O=C1NCCCN1c1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC001308477754 1070379698 /nfs/dbraw/zinc/37/96/98/1070379698.db2.gz KXSXNEVAWDAKJB-UHFFFAOYSA-N 1 2 454.166 3.816 20 0 JHADLO CCOCCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCOCC2)CC1 ZINC001314473206 1070383678 /nfs/dbraw/zinc/38/36/78/1070383678.db2.gz FYULTGYYZRWROA-UHFFFAOYSA-N 1 2 468.429 3.980 20 0 JHADLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1Cn1cccn1 ZINC001308585644 1070394851 /nfs/dbraw/zinc/39/48/51/1070394851.db2.gz POPAPVZCEGMIQL-UHFFFAOYSA-N 1 2 458.484 3.917 20 0 JHADLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001308628815 1070405493 /nfs/dbraw/zinc/40/54/93/1070405493.db2.gz VYNLIMPZBZUSEZ-GOSISDBHSA-N 1 2 450.599 3.806 20 0 JHADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC001308652363 1070410747 /nfs/dbraw/zinc/41/07/47/1070410747.db2.gz LZUROGCBJRZSBY-UHFFFAOYSA-N 1 2 451.445 3.911 20 0 JHADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC001308652363 1070410754 /nfs/dbraw/zinc/41/07/54/1070410754.db2.gz LZUROGCBJRZSBY-UHFFFAOYSA-N 1 2 451.445 3.911 20 0 JHADLO Cc1ccc(C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]2CCCO2)c(Br)c1 ZINC001308724556 1070426137 /nfs/dbraw/zinc/42/61/37/1070426137.db2.gz VFGNHHWHWSTPDL-SFHVURJKSA-N 1 2 453.402 3.586 20 0 JHADLO Cc1ccc(C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]2CCCO2)c(Br)c1 ZINC001308724556 1070426139 /nfs/dbraw/zinc/42/61/39/1070426139.db2.gz VFGNHHWHWSTPDL-SFHVURJKSA-N 1 2 453.402 3.586 20 0 JHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001308728312 1070426739 /nfs/dbraw/zinc/42/67/39/1070426739.db2.gz DRRBSYAUTKNGDU-SFHVURJKSA-N 1 2 451.036 3.823 20 0 JHADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001308728312 1070426745 /nfs/dbraw/zinc/42/67/45/1070426745.db2.gz DRRBSYAUTKNGDU-SFHVURJKSA-N 1 2 451.036 3.823 20 0 JHADLO COC(=O)N1CCN(c2ccc(N[C@H](C)Cc3ccc(F)cc3Br)c[nH+]2)CC1 ZINC001308780017 1070437311 /nfs/dbraw/zinc/43/73/11/1070437311.db2.gz ULQSVAYDSYDNOW-CQSZACIVSA-N 1 2 451.340 3.915 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001308828339 1070443690 /nfs/dbraw/zinc/44/36/90/1070443690.db2.gz NZFWVVQUNOKCMF-LEWJYISDSA-N 1 2 469.488 3.716 20 0 JHADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001308828339 1070443685 /nfs/dbraw/zinc/44/36/85/1070443685.db2.gz NZFWVVQUNOKCMF-LEWJYISDSA-N 1 2 469.488 3.716 20 0 JHADLO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001313469617 1070453762 /nfs/dbraw/zinc/45/37/62/1070453762.db2.gz VHZCENHRWBFBBE-UHFFFAOYSA-N 1 2 467.662 3.752 20 0 JHADLO COCO[C@H](C)c1cc(F)c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1Br ZINC001308895781 1070456707 /nfs/dbraw/zinc/45/67/07/1070456707.db2.gz BWZULLOGSVNWIW-XMDBHEJHSA-N 1 2 454.336 3.894 20 0 JHADLO COCO[C@H](C)c1cc(F)c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1Br ZINC001308895781 1070456712 /nfs/dbraw/zinc/45/67/12/1070456712.db2.gz BWZULLOGSVNWIW-XMDBHEJHSA-N 1 2 454.336 3.894 20 0 JHADLO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907632 1070458101 /nfs/dbraw/zinc/45/81/01/1070458101.db2.gz XLSYQIMZXAKIRQ-UONOGXRCSA-N 1 2 453.356 3.664 20 0 JHADLO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3c(F)cncc3Br)C2)cn1 ZINC001308907632 1070458109 /nfs/dbraw/zinc/45/81/09/1070458109.db2.gz XLSYQIMZXAKIRQ-UONOGXRCSA-N 1 2 453.356 3.664 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001314509591 1070462753 /nfs/dbraw/zinc/46/27/53/1070462753.db2.gz MWGYISZQXCINOE-UHFFFAOYSA-N 1 2 479.666 3.541 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001314509591 1070462766 /nfs/dbraw/zinc/46/27/66/1070462766.db2.gz MWGYISZQXCINOE-UHFFFAOYSA-N 1 2 479.666 3.541 20 0 JHADLO Cc1coc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)c2)n1 ZINC001309021031 1070488340 /nfs/dbraw/zinc/48/83/40/1070488340.db2.gz NLDYCFOILFNZCG-UHFFFAOYSA-N 1 2 455.584 3.691 20 0 JHADLO CCCOc1ccc(-c2nnc(N(C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1OC ZINC001313501539 1070525206 /nfs/dbraw/zinc/52/52/06/1070525206.db2.gz UDYMYKRSBBJLSF-LJQANCHMSA-N 1 2 480.613 3.867 20 0 JHADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001309128312 1070554034 /nfs/dbraw/zinc/55/40/34/1070554034.db2.gz BWYIKSUOWFTKDR-GJZGRUSLSA-N 1 2 459.033 3.540 20 0 JHADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001309128312 1070554044 /nfs/dbraw/zinc/55/40/44/1070554044.db2.gz BWYIKSUOWFTKDR-GJZGRUSLSA-N 1 2 459.033 3.540 20 0 JHADLO O=S(=O)(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC001309157911 1070575569 /nfs/dbraw/zinc/57/55/69/1070575569.db2.gz UVEJIAHYIZTWRB-LJQANCHMSA-N 1 2 450.988 3.834 20 0 JHADLO O=S(=O)(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC001309157911 1070575580 /nfs/dbraw/zinc/57/55/80/1070575580.db2.gz UVEJIAHYIZTWRB-LJQANCHMSA-N 1 2 450.988 3.834 20 0 JHADLO CC[S@](=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001314576806 1070584571 /nfs/dbraw/zinc/58/45/71/1070584571.db2.gz HERBVRJMGMTWHJ-XIFFEERXSA-N 1 2 487.695 3.626 20 0 JHADLO CCSc1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC001314589117 1070614977 /nfs/dbraw/zinc/61/49/77/1070614977.db2.gz HSJCSMMLGDAZGP-HSZRJFAPSA-N 1 2 486.730 3.793 20 0 JHADLO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C[C@@H]1n1cc[nH+]c1 ZINC001309302521 1070683302 /nfs/dbraw/zinc/68/33/02/1070683302.db2.gz XUKHATPFZSIGNB-NEWSRXKRSA-N 1 2 453.992 3.756 20 0 JHADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313577456 1070695369 /nfs/dbraw/zinc/69/53/69/1070695369.db2.gz IHIBJUNKNSDEHK-DVECYGJZSA-N 1 2 477.650 4.000 20 0 JHADLO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001313583279 1070705672 /nfs/dbraw/zinc/70/56/72/1070705672.db2.gz DYNONBHILAXWEL-LJQANCHMSA-N 1 2 475.018 3.509 20 0 JHADLO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc21 ZINC001309389167 1070740255 /nfs/dbraw/zinc/74/02/55/1070740255.db2.gz AJTHHUOANMPASW-SFHVURJKSA-N 1 2 456.612 3.801 20 0 JHADLO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC001314647475 1070750125 /nfs/dbraw/zinc/75/01/25/1070750125.db2.gz BVLPEHQGKPZNFB-HXUWFJFHSA-N 1 2 494.086 3.976 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2cccc(C)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313633046 1070764037 /nfs/dbraw/zinc/76/40/37/1070764037.db2.gz MEAWZQNGZVHKDN-VWLOTQADSA-N 1 2 473.687 3.856 20 0 JHADLO CCN(CC(C)C)c1nnc(COc2ccc(C)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313633784 1070765029 /nfs/dbraw/zinc/76/50/29/1070765029.db2.gz KLJBBFUPLSCDGR-RUZDIDTESA-N 1 2 473.687 3.856 20 0 JHADLO CN(C)c1ccc(Cn2c(COc3ccc(Br)cc3)nnc2Nc2ccn(C)n2)c[nH+]1 ZINC001314658564 1070779332 /nfs/dbraw/zinc/77/93/32/1070779332.db2.gz DZZDQZMYUJEWAI-UHFFFAOYSA-N 1 2 483.374 3.606 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCCCO)C2CC2)c[nH+]1 ZINC001314661255 1070785627 /nfs/dbraw/zinc/78/56/27/1070785627.db2.gz POPRDJODBUJSFI-UHFFFAOYSA-N 1 2 458.969 3.988 20 0 JHADLO CCn1cc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)nc1C ZINC001309494297 1070808805 /nfs/dbraw/zinc/80/88/05/1070808805.db2.gz VJSDOPWJMTUUMG-MRXNPFEDSA-N 1 2 452.930 3.769 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(C)CC2)CC1 ZINC001313645490 1070802151 /nfs/dbraw/zinc/80/21/51/1070802151.db2.gz CBJLKELQHUVYTN-UHFFFAOYSA-N 1 2 459.038 3.779 20 0 JHADLO CCn1cc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)nc1C ZINC001309494297 1070808776 /nfs/dbraw/zinc/80/87/76/1070808776.db2.gz VJSDOPWJMTUUMG-MRXNPFEDSA-N 1 2 452.930 3.769 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001313648256 1070816046 /nfs/dbraw/zinc/81/60/46/1070816046.db2.gz MNEODVOISWJZEV-HXUWFJFHSA-N 1 2 489.615 3.546 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC001313678040 1070927600 /nfs/dbraw/zinc/92/76/00/1070927600.db2.gz BBBCFDGVQOFMJK-SFTDATJTSA-N 1 2 456.635 3.540 20 0 JHADLO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676472 1070921006 /nfs/dbraw/zinc/92/10/06/1070921006.db2.gz DSBOPNFUUGGYQH-GOTSBHOMSA-N 1 2 499.681 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N(C)CC(=O)NC(C)(C)C)c[nH+]1 ZINC001313676995 1070923917 /nfs/dbraw/zinc/92/39/17/1070923917.db2.gz HOCJHJACCTWIEL-UHFFFAOYSA-N 1 2 479.629 3.594 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001313679083 1070933778 /nfs/dbraw/zinc/93/37/78/1070933778.db2.gz HIDZZDQNSJFBEO-QZTJIDSGSA-N 1 2 468.524 3.577 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)c[nH+]1 ZINC001313678584 1070930255 /nfs/dbraw/zinc/93/02/55/1070930255.db2.gz DLRMYDHZZRZLGJ-HXUWFJFHSA-N 1 2 495.594 3.536 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)c1ccccc1 ZINC001309709254 1070934734 /nfs/dbraw/zinc/93/47/34/1070934734.db2.gz ABKLQJQFQQEWOH-SFHVURJKSA-N 1 2 452.349 3.725 20 0 JHADLO CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313683293 1070944196 /nfs/dbraw/zinc/94/41/96/1070944196.db2.gz BIWNSVOWDGUFBK-WZONZLPQSA-N 1 2 463.623 3.611 20 0 JHADLO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001313698198 1070969557 /nfs/dbraw/zinc/96/95/57/1070969557.db2.gz ZMJRCAYOISBSFL-ZRBLBEILSA-N 1 2 498.672 3.969 20 0 JHADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C[C@H]1C(C)(C)C ZINC001309833184 1070989414 /nfs/dbraw/zinc/98/94/14/1070989414.db2.gz ONGDODTYOCSKQR-AWEZNQCLSA-N 1 2 454.228 3.562 20 0 JHADLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C[C@H]1C(C)(C)C ZINC001309833184 1070989416 /nfs/dbraw/zinc/98/94/16/1070989416.db2.gz ONGDODTYOCSKQR-AWEZNQCLSA-N 1 2 454.228 3.562 20 0 JHADLO CN(CC1CC(F)C1)c1nnc([C@H]2CCCOC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314782541 1071057951 /nfs/dbraw/zinc/05/79/51/1071057951.db2.gz CTNMVCOYJKMZTP-CQKVTUKBSA-N 1 2 451.537 3.938 20 0 JHADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001310035340 1071074912 /nfs/dbraw/zinc/07/49/12/1071074912.db2.gz YCYMMSYRLHPHRL-WIYYLYMNSA-N 1 2 457.644 3.976 20 0 JHADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001310035340 1071074929 /nfs/dbraw/zinc/07/49/29/1071074929.db2.gz YCYMMSYRLHPHRL-WIYYLYMNSA-N 1 2 457.644 3.976 20 0 JHADLO CN(C[C@@H]1CCCCO1)c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001314800416 1071080222 /nfs/dbraw/zinc/08/02/22/1071080222.db2.gz BIRPHZGMXNBWOT-SFHVURJKSA-N 1 2 488.434 3.949 20 0 JHADLO CN(C[C@@H]1CCCOC1)c1nnc(Cc2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001314809453 1071099886 /nfs/dbraw/zinc/09/98/86/1071099886.db2.gz XLVRVUJUSABSBE-SIKLNZKXSA-N 1 2 470.568 3.708 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cc(C(=O)N(C)C)ccc3C)[nH+]c12 ZINC001310113009 1071125500 /nfs/dbraw/zinc/12/55/00/1071125500.db2.gz FRLPFDUZEHPANN-UHFFFAOYSA-N 1 2 458.360 3.780 20 0 JHADLO CN(CCC(F)F)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314823809 1071145638 /nfs/dbraw/zinc/14/56/38/1071145638.db2.gz UODFNVKYZPVETF-UHFFFAOYSA-N 1 2 462.932 3.970 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1F ZINC001310189012 1071194538 /nfs/dbraw/zinc/19/45/38/1071194538.db2.gz XBIHKWJJKLNNIV-RTWAWAEBSA-N 1 2 451.926 3.698 20 0 JHADLO COCCOc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC001310189012 1071194547 /nfs/dbraw/zinc/19/45/47/1071194547.db2.gz XBIHKWJJKLNNIV-RTWAWAEBSA-N 1 2 451.926 3.698 20 0 JHADLO CCN(CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC001313806783 1071226025 /nfs/dbraw/zinc/22/60/25/1071226025.db2.gz YGPZONZSMFPDJS-UHFFFAOYSA-N 1 2 498.628 3.717 20 0 JHADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)CCC(F)(F)F ZINC001313813588 1071255535 /nfs/dbraw/zinc/25/55/35/1071255535.db2.gz FUKMYJIPROIZGP-PKOBYXMFSA-N 1 2 493.640 3.860 20 0 JHADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)CCC(F)(F)F ZINC001313813588 1071255536 /nfs/dbraw/zinc/25/55/36/1071255536.db2.gz FUKMYJIPROIZGP-PKOBYXMFSA-N 1 2 493.640 3.860 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccsc1 ZINC001314869845 1071280195 /nfs/dbraw/zinc/28/01/95/1071280195.db2.gz HZRDEKJUPNTWJW-UHFFFAOYSA-N 1 2 494.434 3.919 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCC1(F)F ZINC001314871309 1071283499 /nfs/dbraw/zinc/28/34/99/1071283499.db2.gz JWLNHHBSSDWFHL-VAMGGRTRSA-N 1 2 469.621 3.791 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(F)(F)F ZINC001314872568 1071286837 /nfs/dbraw/zinc/28/68/37/1071286837.db2.gz YVJUMLFMFOUCHL-UHFFFAOYSA-N 1 2 464.492 3.711 20 0 JHADLO Cn1cc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)cn1 ZINC001314901601 1071337873 /nfs/dbraw/zinc/33/78/73/1071337873.db2.gz HMDFXVCPSPXVQM-UHFFFAOYSA-N 1 2 472.037 3.503 20 0 JHADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc2cc(Br)ccc2c1 ZINC001310403379 1071369746 /nfs/dbraw/zinc/36/97/46/1071369746.db2.gz PTEUJZQKXLQZDZ-FQEVSTJZSA-N 1 2 450.402 3.932 20 0 JHADLO CN1CC[N@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001314932041 1071377858 /nfs/dbraw/zinc/37/78/58/1071377858.db2.gz XCOGHGPSTRJGDK-HXUWFJFHSA-N 1 2 472.653 3.895 20 0 JHADLO CN1CC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001314932041 1071377867 /nfs/dbraw/zinc/37/78/67/1071377867.db2.gz XCOGHGPSTRJGDK-HXUWFJFHSA-N 1 2 472.653 3.895 20 0 JHADLO COC(=O)C[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(C(C)(C)C)cc1 ZINC001310417214 1071378389 /nfs/dbraw/zinc/37/83/89/1071378389.db2.gz BCOYCMYRRIHTLD-NRFANRHFSA-N 1 2 454.571 3.950 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNc1cccc[nH+]1 ZINC001314948650 1071412342 /nfs/dbraw/zinc/41/23/42/1071412342.db2.gz CXJWGLXSBDHICX-LJQANCHMSA-N 1 2 463.630 3.958 20 0 JHADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001314951264 1071420412 /nfs/dbraw/zinc/42/04/12/1071420412.db2.gz PMZXRVVMFXBRRH-LJQANCHMSA-N 1 2 473.625 3.951 20 0 JHADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(COc2ccccc2)cc1 ZINC001310485252 1071426048 /nfs/dbraw/zinc/42/60/48/1071426048.db2.gz DBXWFBHKZGIBQZ-UHFFFAOYSA-N 1 2 459.550 3.521 20 0 JHADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314973458 1071462178 /nfs/dbraw/zinc/46/21/78/1071462178.db2.gz YRRCPWGRWZATGV-CPJSRVTESA-N 1 2 474.600 3.554 20 0 JHADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001313884969 1071465911 /nfs/dbraw/zinc/46/59/11/1071465911.db2.gz OLSYJYYXQRBFBL-OKZBNKHCSA-N 1 2 498.118 3.577 20 0 JHADLO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001313884969 1071465913 /nfs/dbraw/zinc/46/59/13/1071465913.db2.gz OLSYJYYXQRBFBL-OKZBNKHCSA-N 1 2 498.118 3.577 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926458 1071576778 /nfs/dbraw/zinc/57/67/78/1071576778.db2.gz CJJDRFISSPYSFX-NZQKXSOJSA-N 1 2 490.693 3.600 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313927855 1071582005 /nfs/dbraw/zinc/58/20/05/1071582005.db2.gz PCTKYYYAONNBHD-REWPJTCUSA-N 1 2 454.663 3.736 20 0 JHADLO CCNC(=O)C(C)(C)Cn1c(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC001313976976 1071709417 /nfs/dbraw/zinc/70/94/17/1071709417.db2.gz JLZNSJPPLWVSIO-UHFFFAOYSA-N 1 2 469.678 3.876 20 0 JHADLO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001314009045 1071745710 /nfs/dbraw/zinc/74/57/10/1071745710.db2.gz XSVDOFOPISKLEI-UHFFFAOYSA-N 1 2 469.634 3.676 20 0 JHADLO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001314021226 1071773805 /nfs/dbraw/zinc/77/38/05/1071773805.db2.gz DVOVFHDSVCPQOC-HSZRJFAPSA-N 1 2 498.672 3.527 20 0 JHADLO CCOC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001314051241 1071872934 /nfs/dbraw/zinc/87/29/34/1071872934.db2.gz DXDCFQUNVPXXCI-QFIPXVFZSA-N 1 2 475.609 3.805 20 0 JHADLO CCO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC001314063253 1071903882 /nfs/dbraw/zinc/90/38/82/1071903882.db2.gz IIKQWVPLWPFKST-JOCHJYFZSA-N 1 2 495.676 3.678 20 0 JHADLO CCO[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314102559 1071988100 /nfs/dbraw/zinc/98/81/00/1071988100.db2.gz XZWNNJATAGXPQF-AREMUKBSSA-N 1 2 489.636 3.595 20 0 JHADLO CCO[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314102559 1071988108 /nfs/dbraw/zinc/98/81/08/1071988108.db2.gz XZWNNJATAGXPQF-AREMUKBSSA-N 1 2 489.636 3.595 20 0 JHADLO CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001305933438 1068233947 /nfs/dbraw/zinc/23/39/47/1068233947.db2.gz FVKCWDQJNFWHDH-UHFFFAOYSA-N 1 2 476.625 3.575 20 0 JHADLO CCc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001305947410 1068264434 /nfs/dbraw/zinc/26/44/34/1068264434.db2.gz DICPJPJRBCWCLW-UHFFFAOYSA-N 1 2 455.557 3.792 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)CC ZINC001305988160 1068343669 /nfs/dbraw/zinc/34/36/69/1068343669.db2.gz YRJLMRQQGIHMCB-QFIPXVFZSA-N 1 2 496.700 3.989 20 0 JHADLO CCc1nc(C)c(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC001306012309 1068395095 /nfs/dbraw/zinc/39/50/95/1068395095.db2.gz OKVMOIGESRRNGW-UHFFFAOYSA-N 1 2 466.634 3.932 20 0 JHADLO CCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001306060652 1068498925 /nfs/dbraw/zinc/49/89/25/1068498925.db2.gz ANSWAPNOMQNJIQ-NVXWUHKLSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001306060652 1068498930 /nfs/dbraw/zinc/49/89/30/1068498930.db2.gz ANSWAPNOMQNJIQ-NVXWUHKLSA-N 1 2 456.545 3.817 20 0 JHADLO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306119011 1068526737 /nfs/dbraw/zinc/52/67/37/1068526737.db2.gz ZNQGICHVLJDGSQ-UHFFFAOYSA-N 1 2 467.662 3.605 20 0 JHADLO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001306161867 1068557491 /nfs/dbraw/zinc/55/74/91/1068557491.db2.gz RLMOAYHUBBNJDV-OALUTQOASA-N 1 2 457.623 3.867 20 0 JHADLO CN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181061 1068572345 /nfs/dbraw/zinc/57/23/45/1068572345.db2.gz XOOIAGIHGNRHBN-KDOFPFPSSA-N 1 2 452.502 3.698 20 0 JHADLO CN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181061 1068572358 /nfs/dbraw/zinc/57/23/58/1068572358.db2.gz XOOIAGIHGNRHBN-KDOFPFPSSA-N 1 2 452.502 3.698 20 0 JHADLO CN1C(=O)CC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181060 1068572678 /nfs/dbraw/zinc/57/26/78/1068572678.db2.gz XOOIAGIHGNRHBN-KBXCAEBGSA-N 1 2 452.502 3.698 20 0 JHADLO CN1C(=O)CC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001306181060 1068572693 /nfs/dbraw/zinc/57/26/93/1068572693.db2.gz XOOIAGIHGNRHBN-KBXCAEBGSA-N 1 2 452.502 3.698 20 0 JHADLO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306184876 1068575757 /nfs/dbraw/zinc/57/57/57/1068575757.db2.gz GEKLISVJRASRRX-UHFFFAOYSA-N 1 2 467.662 3.749 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001306197925 1068590654 /nfs/dbraw/zinc/59/06/54/1068590654.db2.gz UALNGYZBKCSIGB-RUZDIDTESA-N 1 2 484.048 3.950 20 0 JHADLO CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001306210661 1068601331 /nfs/dbraw/zinc/60/13/31/1068601331.db2.gz VERJMRWJWSWSFA-UHFFFAOYSA-N 1 2 490.077 3.892 20 0 JHADLO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306249429 1068660069 /nfs/dbraw/zinc/66/00/69/1068660069.db2.gz WHQKPIVSEFIXFH-FQEVSTJZSA-N 1 2 499.566 3.551 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306263976 1068677087 /nfs/dbraw/zinc/67/70/87/1068677087.db2.gz ZXRUXNNTPRZFMR-WIYYLYMNSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001306263976 1068677089 /nfs/dbraw/zinc/67/70/89/1068677089.db2.gz ZXRUXNNTPRZFMR-WIYYLYMNSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1cccc[nH+]1 ZINC001306265603 1068680219 /nfs/dbraw/zinc/68/02/19/1068680219.db2.gz XRGIZSRMLSYZPJ-UGKGYDQZSA-N 1 2 497.669 3.717 20 0 JHADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001306278301 1068692363 /nfs/dbraw/zinc/69/23/63/1068692363.db2.gz SNKQHHAVLKMXDG-MISYRCLQSA-N 1 2 486.617 3.663 20 0 JHADLO CC[C@H]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306312266 1068730780 /nfs/dbraw/zinc/73/07/80/1068730780.db2.gz GHFRFZSHQQRFKM-LNRXMEIDSA-N 1 2 490.693 3.644 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c[nH+]ccc2OC)C[C@H](C)O1 ZINC001306456458 1068981844 /nfs/dbraw/zinc/98/18/44/1068981844.db2.gz FBDYHNYBHLNJEN-SXLOBPIMSA-N 1 2 486.617 3.806 20 0 JHADLO Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001310570775 1069024735 /nfs/dbraw/zinc/02/47/35/1069024735.db2.gz ZWDNPKJHQXFBRQ-SFHVURJKSA-N 1 2 457.941 3.858 20 0 JHADLO Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001310570775 1069024749 /nfs/dbraw/zinc/02/47/49/1069024749.db2.gz ZWDNPKJHQXFBRQ-SFHVURJKSA-N 1 2 457.941 3.858 20 0 JHADLO COc1ccc(-c2nnc(NC(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)s2)cc1 ZINC001310598901 1069043027 /nfs/dbraw/zinc/04/30/27/1069043027.db2.gz QGABNNVFWMPNID-UHFFFAOYSA-N 1 2 453.572 3.790 20 0 JHADLO O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001310653979 1069087589 /nfs/dbraw/zinc/08/75/89/1069087589.db2.gz YHHOMMLLPODFHL-INIZCTEOSA-N 1 2 452.342 3.904 20 0 JHADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306517819 1069129242 /nfs/dbraw/zinc/12/92/42/1069129242.db2.gz IPQUCYRDERLYJD-KRWDZBQOSA-N 1 2 484.004 3.578 20 0 JHADLO CCOc1ccccc1[C@@](N)(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC001306542132 1069191754 /nfs/dbraw/zinc/19/17/54/1069191754.db2.gz JIJVKRRIJDGORX-OPAMFIHVSA-N 1 2 451.489 3.834 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306562722 1069231673 /nfs/dbraw/zinc/23/16/73/1069231673.db2.gz AZXATIWMASBIAF-HKBOAZHASA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306562722 1069231685 /nfs/dbraw/zinc/23/16/85/1069231685.db2.gz AZXATIWMASBIAF-HKBOAZHASA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306571686 1069238938 /nfs/dbraw/zinc/23/89/38/1069238938.db2.gz LSCYYJJERKIIKR-PMACEKPBSA-N 1 2 481.645 3.581 20 0 JHADLO COc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991892 1069243280 /nfs/dbraw/zinc/24/32/80/1069243280.db2.gz PUDNSTPIQIGIJX-WBVHZDCISA-N 1 2 458.868 3.956 20 0 JHADLO COc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)n1 ZINC001310991892 1069243296 /nfs/dbraw/zinc/24/32/96/1069243296.db2.gz PUDNSTPIQIGIJX-WBVHZDCISA-N 1 2 458.868 3.956 20 0 JHADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001306583922 1069248849 /nfs/dbraw/zinc/24/88/49/1069248849.db2.gz DTAXBQSUSMVABU-BVSLBCMMSA-N 1 2 468.646 3.639 20 0 JHADLO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306587965 1069255832 /nfs/dbraw/zinc/25/58/32/1069255832.db2.gz YZENHNHBDHFPPE-CTNGQTDRSA-N 1 2 455.651 3.507 20 0 JHADLO C[C@@H](CNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC001311081464 1069267145 /nfs/dbraw/zinc/26/71/45/1069267145.db2.gz WNUUVVWHOICZJP-LBPRGKRZSA-N 1 2 458.481 3.634 20 0 JHADLO C[C@@H](CNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC001311081464 1069267158 /nfs/dbraw/zinc/26/71/58/1069267158.db2.gz WNUUVVWHOICZJP-LBPRGKRZSA-N 1 2 458.481 3.634 20 0 JHADLO CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2C1 ZINC001311093459 1069271126 /nfs/dbraw/zinc/27/11/26/1069271126.db2.gz YOOFSZZPOCDHJI-LJQANCHMSA-N 1 2 453.543 3.612 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001311216350 1069299577 /nfs/dbraw/zinc/29/95/77/1069299577.db2.gz HYMYBIDIEOUPNX-YADHBBJMSA-N 1 2 456.974 3.906 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001311216350 1069299583 /nfs/dbraw/zinc/29/95/83/1069299583.db2.gz HYMYBIDIEOUPNX-YADHBBJMSA-N 1 2 456.974 3.906 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@]3(C)C(=O)OC)c2c1C ZINC001164391074 718805357 /nfs/dbraw/zinc/80/53/57/718805357.db2.gz UJXNRUILHRUAGC-HSZRJFAPSA-N 1 2 460.600 3.694 20 0 JHADLO Cc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)n1 ZINC001164422098 718890179 /nfs/dbraw/zinc/89/01/79/718890179.db2.gz ZSTMUHINJOUZQU-GFCCVEGCSA-N 1 2 458.694 3.971 20 0 JHADLO COc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)n1 ZINC001164421789 718890843 /nfs/dbraw/zinc/89/08/43/718890843.db2.gz YGNIZGOGBOVKPW-LLVKDONJSA-N 1 2 474.693 3.672 20 0 JHADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001164652896 719314175 /nfs/dbraw/zinc/31/41/75/719314175.db2.gz SVMUESCAFRMRFJ-UHFFFAOYSA-N 1 2 498.653 3.683 20 0 JHADLO CCOC(=O)c1ncnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1C ZINC001164660621 719350868 /nfs/dbraw/zinc/35/08/68/719350868.db2.gz WBCMMLNQQMJIBR-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CCOC(=O)c1ncnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1C ZINC001164660621 719350872 /nfs/dbraw/zinc/35/08/72/719350872.db2.gz WBCMMLNQQMJIBR-UHFFFAOYSA-N 1 2 460.582 3.656 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164659786 719352036 /nfs/dbraw/zinc/35/20/36/719352036.db2.gz RYCNMIJPKLDZIF-UHFFFAOYSA-N 1 2 462.985 3.673 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164659786 719352037 /nfs/dbraw/zinc/35/20/37/719352037.db2.gz RYCNMIJPKLDZIF-UHFFFAOYSA-N 1 2 462.985 3.673 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164658066 719354865 /nfs/dbraw/zinc/35/48/65/719354865.db2.gz DBDNBDHJJGDHSV-UHFFFAOYSA-N 1 2 485.636 3.844 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164658066 719354866 /nfs/dbraw/zinc/35/48/66/719354866.db2.gz DBDNBDHJJGDHSV-UHFFFAOYSA-N 1 2 485.636 3.844 20 0 JHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)ncnc42)CC3)cc1 ZINC001164678746 719528970 /nfs/dbraw/zinc/52/89/70/719528970.db2.gz NAENRDUFROJNEJ-UHFFFAOYSA-N 1 2 463.344 3.737 20 0 JHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)ncnc42)CC3)cc1 ZINC001164678746 719528976 /nfs/dbraw/zinc/52/89/76/719528976.db2.gz NAENRDUFROJNEJ-UHFFFAOYSA-N 1 2 463.344 3.737 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164703935 719849929 /nfs/dbraw/zinc/84/99/29/719849929.db2.gz RICAFORTSNHGPF-JLTOFOAXSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(OCc2ccccc2)cc1Cl ZINC001164706676 719864801 /nfs/dbraw/zinc/86/48/01/719864801.db2.gz QGOXTLMUQSJFBL-YADARESESA-N 1 2 459.974 3.547 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(OCc2ccccc2)cc1Cl ZINC001164706660 719865169 /nfs/dbraw/zinc/86/51/69/719865169.db2.gz QGOXTLMUQSJFBL-CYFREDJKSA-N 1 2 459.974 3.547 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001164702227 719878107 /nfs/dbraw/zinc/87/81/07/719878107.db2.gz PGKSLUNMJYUZQP-OPAMFIHVSA-N 1 2 481.380 3.808 20 0 JHADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)CC2 ZINC001164708129 719932110 /nfs/dbraw/zinc/93/21/10/719932110.db2.gz DJXHNEUIMPRQFG-UHFFFAOYSA-N 1 2 499.663 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(-c5cccc(Cl)n5)n4)CC3)C2=O)cs1 ZINC001164820927 720369440 /nfs/dbraw/zinc/36/94/40/720369440.db2.gz URWQZUUCVDPKJI-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(-c5cccc(Cl)n5)n4)CC3)C2=O)cs1 ZINC001164820927 720369449 /nfs/dbraw/zinc/36/94/49/720369449.db2.gz URWQZUUCVDPKJI-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(C)C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164820789 720380947 /nfs/dbraw/zinc/38/09/47/720380947.db2.gz CLQLNQBYVWEQSP-UHFFFAOYSA-N 1 2 470.687 3.976 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(C)C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164820789 720380954 /nfs/dbraw/zinc/38/09/54/720380954.db2.gz CLQLNQBYVWEQSP-UHFFFAOYSA-N 1 2 470.687 3.976 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164826021 720384278 /nfs/dbraw/zinc/38/42/78/720384278.db2.gz WHEQCJAXXXTQFF-UHFFFAOYSA-N 1 2 463.051 3.640 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(C)C)nc(Cl)c4C)CC3)C2=O)cs1 ZINC001164826021 720384284 /nfs/dbraw/zinc/38/42/84/720384284.db2.gz WHEQCJAXXXTQFF-UHFFFAOYSA-N 1 2 463.051 3.640 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825325 720387745 /nfs/dbraw/zinc/38/77/45/720387745.db2.gz VANGFOFHIMIMDS-SDHSZQHLSA-N 1 2 477.634 3.753 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825325 720387753 /nfs/dbraw/zinc/38/77/53/720387753.db2.gz VANGFOFHIMIMDS-SDHSZQHLSA-N 1 2 477.634 3.753 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736208 720537710 /nfs/dbraw/zinc/53/77/10/720537710.db2.gz VXVKKRLCULOMJS-QDPGVEIFSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@@H]5COc5ccccn5)C4)c3C2)cc1 ZINC001164736208 720537723 /nfs/dbraw/zinc/53/77/23/720537723.db2.gz VXVKKRLCULOMJS-QDPGVEIFSA-N 1 2 471.605 3.884 20 0 JHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@@H]54)c3C2)cc1 ZINC001164871970 721246344 /nfs/dbraw/zinc/24/63/44/721246344.db2.gz CKQGTDXZOVYTAX-HRNNMHKYSA-N 1 2 457.578 3.635 20 0 JHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@@H]54)c3C2)cc1 ZINC001164871970 721246352 /nfs/dbraw/zinc/24/63/52/721246352.db2.gz CKQGTDXZOVYTAX-HRNNMHKYSA-N 1 2 457.578 3.635 20 0 JHADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766031 721272232 /nfs/dbraw/zinc/27/22/32/721272232.db2.gz MPQSBQHAWSOLML-INIZCTEOSA-N 1 2 475.931 3.582 20 0 JHADLO COc1ccc2nc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164784061 721429103 /nfs/dbraw/zinc/42/91/03/721429103.db2.gz KIYQRQJWDSIMER-BETUJISGSA-N 1 2 451.930 3.861 20 0 JHADLO COc1ccc2nc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164784061 721429106 /nfs/dbraw/zinc/42/91/06/721429106.db2.gz KIYQRQJWDSIMER-BETUJISGSA-N 1 2 451.930 3.861 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164904057 721570542 /nfs/dbraw/zinc/57/05/42/721570542.db2.gz UJEZCUVNNJTWOR-SFHVURJKSA-N 1 2 499.681 3.857 20 0 JHADLO c1ccc(-c2nc(-c3ccccc3)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914035 721780874 /nfs/dbraw/zinc/78/08/74/721780874.db2.gz AAOGDQCEIYWWOY-LJAQVGFWSA-N 1 2 494.599 3.708 20 0 JHADLO c1ccc(-c2nc(-c3ccccc3)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914035 721780877 /nfs/dbraw/zinc/78/08/77/721780877.db2.gz AAOGDQCEIYWWOY-LJAQVGFWSA-N 1 2 494.599 3.708 20 0 JHADLO Clc1cc(-c2ccccc2)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917608 721781692 /nfs/dbraw/zinc/78/16/92/721781692.db2.gz YFJOOKFKHFLUQB-VWLOTQADSA-N 1 2 450.970 3.905 20 0 JHADLO Clc1cc(-c2ccccc2)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917608 721781696 /nfs/dbraw/zinc/78/16/96/721781696.db2.gz YFJOOKFKHFLUQB-VWLOTQADSA-N 1 2 450.970 3.905 20 0 JHADLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914407 721794239 /nfs/dbraw/zinc/79/42/39/721794239.db2.gz NBLCTCKLSRQXDZ-DWACAAAGSA-N 1 2 488.636 3.511 20 0 JHADLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914407 721794240 /nfs/dbraw/zinc/79/42/40/721794240.db2.gz NBLCTCKLSRQXDZ-DWACAAAGSA-N 1 2 488.636 3.511 20 0 JHADLO CSc1ccc(Oc2cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncn2)cc1 ZINC001164945094 721976956 /nfs/dbraw/zinc/97/69/56/721976956.db2.gz CDUNQQKJKQMJDW-UHFFFAOYSA-N 1 2 475.618 3.962 20 0 JHADLO CSc1ccc(Oc2cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncn2)cc1 ZINC001164945094 721976962 /nfs/dbraw/zinc/97/69/62/721976962.db2.gz CDUNQQKJKQMJDW-UHFFFAOYSA-N 1 2 475.618 3.962 20 0 JHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164946902 721978113 /nfs/dbraw/zinc/97/81/13/721978113.db2.gz LZVNZVJLMMJOFD-UHFFFAOYSA-N 1 2 470.621 3.591 20 0 JHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164946902 721978118 /nfs/dbraw/zinc/97/81/18/721978118.db2.gz LZVNZVJLMMJOFD-UHFFFAOYSA-N 1 2 470.621 3.591 20 0 JHADLO CCC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633264 1069335848 /nfs/dbraw/zinc/33/58/48/1069335848.db2.gz RUJUREKRLCYZSB-LEWJYISDSA-N 1 2 459.660 3.605 20 0 JHADLO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001311351913 1069338217 /nfs/dbraw/zinc/33/82/17/1069338217.db2.gz IJYZIUHZVDWBJK-VWLOTQADSA-N 1 2 458.566 3.593 20 0 JHADLO CCCCCC(=O)NC1CCN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001306636207 1069344538 /nfs/dbraw/zinc/34/45/38/1069344538.db2.gz XRICWEDDMBLLQW-RUZDIDTESA-N 1 2 482.673 3.634 20 0 JHADLO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001306661130 1069381455 /nfs/dbraw/zinc/38/14/55/1069381455.db2.gz JCWRCQJAARCDLK-LJQANCHMSA-N 1 2 451.036 3.686 20 0 JHADLO CCCCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001306677052 1069400971 /nfs/dbraw/zinc/40/09/71/1069400971.db2.gz PVGJYOVYNHIVCW-UHFFFAOYSA-N 1 2 464.614 3.990 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001311699492 1069509671 /nfs/dbraw/zinc/50/96/71/1069509671.db2.gz IQXCGWZURRLCIA-OAQYLSRUSA-N 1 2 457.562 3.835 20 0 JHADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC001311729375 1069524495 /nfs/dbraw/zinc/52/44/95/1069524495.db2.gz YYUQOFLLPQAVTI-HXUWFJFHSA-N 1 2 451.489 3.543 20 0 JHADLO CCCN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306811438 1069631191 /nfs/dbraw/zinc/63/11/91/1069631191.db2.gz FZMUXISXDIMYTR-LJQANCHMSA-N 1 2 470.568 3.679 20 0 JHADLO CCOc1cc2c(cc1OCC)CN(c1nnc([C@H](C)CC)n1C[C@@H](C)[NH+]1CCOCC1)CC2 ZINC001314166734 1069666614 /nfs/dbraw/zinc/66/66/14/1069666614.db2.gz YMSGKNXDABBIMM-WOJBJXKFSA-N 1 2 471.646 3.872 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC(OCC(F)F)C3)c2c1C ZINC001306990170 1069694958 /nfs/dbraw/zinc/69/49/58/1069694958.db2.gz SIOAOGLIFNQGBU-UHFFFAOYSA-N 1 2 454.543 3.633 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001314175526 1069702129 /nfs/dbraw/zinc/70/21/29/1069702129.db2.gz HYVXNYZBKADHDM-UHFFFAOYSA-N 1 2 494.596 3.577 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCC[C@@H](OCC)C3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001314177153 1069710553 /nfs/dbraw/zinc/71/05/53/1069710553.db2.gz SJENESZNHCSWAB-HXUWFJFHSA-N 1 2 467.570 3.810 20 0 JHADLO COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001312203869 1069779029 /nfs/dbraw/zinc/77/90/29/1069779029.db2.gz CYRSJHZOSYBVNY-VMPITWQZSA-N 1 2 456.974 3.718 20 0 JHADLO O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001312319292 1069860906 /nfs/dbraw/zinc/86/09/06/1069860906.db2.gz XSBVJRLZCZVEQV-BQHGXPCASA-N 1 2 456.949 3.625 20 0 JHADLO COCC[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccco1 ZINC001312367350 1069890823 /nfs/dbraw/zinc/89/08/23/1069890823.db2.gz XYLSRDURCINHMO-INIZCTEOSA-N 1 2 451.321 3.821 20 0 JHADLO COc1ccc([C@H](OC)[C@H](C)NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001312385450 1069900593 /nfs/dbraw/zinc/90/05/93/1069900593.db2.gz XYIXZASRHUEXPF-TYBLODHISA-N 1 2 455.599 3.704 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001312427979 1069931018 /nfs/dbraw/zinc/93/10/18/1069931018.db2.gz ZYFAQCCOUNWMLN-GOTSBHOMSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001312427979 1069931027 /nfs/dbraw/zinc/93/10/27/1069931027.db2.gz ZYFAQCCOUNWMLN-GOTSBHOMSA-N 1 2 453.974 3.943 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427638 1069931050 /nfs/dbraw/zinc/93/10/50/1069931050.db2.gz XLXYFDLFLVFVFW-TUNNFDKTSA-N 1 2 452.382 3.572 20 0 JHADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001312427638 1069931066 /nfs/dbraw/zinc/93/10/66/1069931066.db2.gz XLXYFDLFLVFVFW-TUNNFDKTSA-N 1 2 452.382 3.572 20 0 JHADLO CCOC1CC(Cn2c(C(C)C)nnc2N(C)C[C@H](C)c2ccccc2)([NH+]2CCOCC2)C1 ZINC001314240946 1069943230 /nfs/dbraw/zinc/94/32/30/1069943230.db2.gz ZMJIXEGEBZWMDB-ZMWWRJPQSA-N 1 2 455.647 3.911 20 0 JHADLO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)[nH+]2)C1(C)C ZINC001314248296 1069969971 /nfs/dbraw/zinc/96/99/71/1069969971.db2.gz XIPVUTVZANFURT-LEWJYISDSA-N 1 2 477.613 3.901 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425487 1069978795 /nfs/dbraw/zinc/97/87/95/1069978795.db2.gz HCPCHZYSLFBHBY-IFMALSPDSA-N 1 2 455.357 3.950 20 0 JHADLO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425487 1069978809 /nfs/dbraw/zinc/97/88/09/1069978809.db2.gz HCPCHZYSLFBHBY-IFMALSPDSA-N 1 2 455.357 3.950 20 0 JHADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307427765 1069979478 /nfs/dbraw/zinc/97/94/78/1069979478.db2.gz IUUPOSSDVOGOPZ-GOSISDBHSA-N 1 2 452.986 3.717 20 0 JHADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001307427765 1069979484 /nfs/dbraw/zinc/97/94/84/1069979484.db2.gz IUUPOSSDVOGOPZ-GOSISDBHSA-N 1 2 452.986 3.717 20 0 JHADLO COc1cc(OC)c(NC(=O)CC[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)cc1Cl ZINC001307426547 1069979967 /nfs/dbraw/zinc/97/99/67/1069979967.db2.gz BWFHVGSLAZQWST-UHFFFAOYSA-N 1 2 451.976 3.514 20 0 JHADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001307468178 1070002409 /nfs/dbraw/zinc/00/24/09/1070002409.db2.gz RXDLXKSPNJTHOF-QGZVFWFLSA-N 1 2 451.308 3.533 20 0 JHADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC001307468178 1070002423 /nfs/dbraw/zinc/00/24/23/1070002423.db2.gz RXDLXKSPNJTHOF-QGZVFWFLSA-N 1 2 451.308 3.533 20 0 JHADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)c1 ZINC001312538590 1070000682 /nfs/dbraw/zinc/00/06/82/1070000682.db2.gz XZFOFRYJTPQIGT-KOSHJBKYSA-N 1 2 451.546 3.746 20 0 JHADLO O=C(N[C@H]1CCc2ccccc2OC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001312587634 1070031994 /nfs/dbraw/zinc/03/19/94/1070031994.db2.gz OZPSFFYPODNJPT-KRWDZBQOSA-N 1 2 459.344 3.844 20 0 JHADLO C[C@@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC001312585948 1070030648 /nfs/dbraw/zinc/03/06/48/1070030648.db2.gz LFYDXAZIRUAYHH-WBMJQRKESA-N 1 2 458.731 3.934 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC001307512996 1070027365 /nfs/dbraw/zinc/02/73/65/1070027365.db2.gz HXTZIPVERNWKMS-BCHFMIIMSA-N 1 2 453.583 3.952 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC001307512996 1070027383 /nfs/dbraw/zinc/02/73/83/1070027383.db2.gz HXTZIPVERNWKMS-BCHFMIIMSA-N 1 2 453.583 3.952 20 0 JHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 ZINC001307527254 1070035650 /nfs/dbraw/zinc/03/56/50/1070035650.db2.gz YUZHGHHYHZXDSN-QHCPKHFHSA-N 1 2 456.612 3.649 20 0 JHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 ZINC001307527254 1070035665 /nfs/dbraw/zinc/03/56/65/1070035665.db2.gz YUZHGHHYHZXDSN-QHCPKHFHSA-N 1 2 456.612 3.649 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314279540 1070040141 /nfs/dbraw/zinc/04/01/41/1070040141.db2.gz ZNOCCQTVMOTSLC-DENIHFKCSA-N 1 2 470.568 3.850 20 0 JHADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cc(Cl)ccc3OCC3CC3)CC2)cc1 ZINC001307539178 1070042070 /nfs/dbraw/zinc/04/20/70/1070042070.db2.gz KYWXIUWVTLFNNM-UHFFFAOYSA-N 1 2 458.002 3.685 20 0 JHADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(I)c(C)c1 ZINC001312614154 1070045433 /nfs/dbraw/zinc/04/54/33/1070045433.db2.gz FOCJQJDPSBLXHQ-UHFFFAOYSA-N 1 2 454.356 3.980 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3nc(-c4ccccc4F)cs3)C2)cc1 ZINC001312621915 1070048630 /nfs/dbraw/zinc/04/86/30/1070048630.db2.gz YGIWEIDOKASSAN-LJQANCHMSA-N 1 2 454.571 3.958 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3nc(-c4ccccc4F)cs3)C2)cc1 ZINC001312621915 1070048646 /nfs/dbraw/zinc/04/86/46/1070048646.db2.gz YGIWEIDOKASSAN-LJQANCHMSA-N 1 2 454.571 3.958 20 0 JHADLO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC001307571823 1070058528 /nfs/dbraw/zinc/05/85/28/1070058528.db2.gz NWXWBDYZLDGIMZ-MRXNPFEDSA-N 1 2 456.344 3.669 20 0 JHADLO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC001307571823 1070058546 /nfs/dbraw/zinc/05/85/46/1070058546.db2.gz NWXWBDYZLDGIMZ-MRXNPFEDSA-N 1 2 456.344 3.669 20 0 JHADLO COC(=O)c1sc2[nH]c(C[NH2+]C(C)(C)c3ccccc3Br)nc(=O)c2c1C ZINC001307611482 1070081507 /nfs/dbraw/zinc/08/15/07/1070081507.db2.gz PLVUYNLLBSCWQZ-UHFFFAOYSA-N 1 2 450.358 3.867 20 0 JHADLO CCOCc1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314299218 1070083120 /nfs/dbraw/zinc/08/31/20/1070083120.db2.gz KLGHNGGTJIBPHG-RNEGFDSTSA-N 1 2 471.671 3.562 20 0 JHADLO CCOCc1nnc(N(C)Cc2cc(OC)ccc2Br)n1Cc1c[nH+]ccc1OC ZINC001314301313 1070085526 /nfs/dbraw/zinc/08/55/26/1070085526.db2.gz RZMBIEGPWGXWKB-UHFFFAOYSA-N 1 2 476.375 3.674 20 0 JHADLO CCOCc1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314313905 1070100061 /nfs/dbraw/zinc/10/00/61/1070100061.db2.gz ZCYOWFXFLAVWRS-RDGATRHJSA-N 1 2 464.614 3.928 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC/C=C\c3ccc(Br)cc3)C2)cc1 ZINC001312755686 1070105951 /nfs/dbraw/zinc/10/59/51/1070105951.db2.gz RTWHORWIMIXSQE-JCZQRORLSA-N 1 2 458.400 3.971 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC/C=C\c3ccc(Br)cc3)C2)cc1 ZINC001312755686 1070105956 /nfs/dbraw/zinc/10/59/56/1070105956.db2.gz RTWHORWIMIXSQE-JCZQRORLSA-N 1 2 458.400 3.971 20 0 JHADLO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001314323992 1070109728 /nfs/dbraw/zinc/10/97/28/1070109728.db2.gz AJIIBSWAOXZZKZ-QFIPXVFZSA-N 1 2 482.673 3.533 20 0 JHADLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)[C@H](C)S(C)(=O)=O)cc1 ZINC001307727666 1070151728 /nfs/dbraw/zinc/15/17/28/1070151728.db2.gz WGYCICGCPLANQQ-MGPUTAFESA-N 1 2 453.402 3.768 20 0 JHADLO COC(=O)c1cnc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001312896477 1070170831 /nfs/dbraw/zinc/17/08/31/1070170831.db2.gz HODCVHORIKBJQA-ZDUSSCGKSA-N 1 2 456.490 3.537 20 0 JHADLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758798 1070170189 /nfs/dbraw/zinc/17/01/89/1070170189.db2.gz UJQKAOHUYTYNAF-RDTXWAMCSA-N 1 2 453.436 3.509 20 0 JHADLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001307758798 1070170200 /nfs/dbraw/zinc/17/02/00/1070170200.db2.gz UJQKAOHUYTYNAF-RDTXWAMCSA-N 1 2 453.436 3.509 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773158 1070177909 /nfs/dbraw/zinc/17/79/09/1070177909.db2.gz LROYTQWVRXUXLU-IAGOWNOFSA-N 1 2 451.637 3.644 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001307773158 1070177915 /nfs/dbraw/zinc/17/79/15/1070177915.db2.gz LROYTQWVRXUXLU-IAGOWNOFSA-N 1 2 451.637 3.644 20 0 JHADLO CCOCc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001314360447 1070183753 /nfs/dbraw/zinc/18/37/53/1070183753.db2.gz LPQNXJZSBOLROL-FQEVSTJZSA-N 1 2 466.561 3.562 20 0 JHADLO CCOCc1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001314360710 1070184446 /nfs/dbraw/zinc/18/44/46/1070184446.db2.gz NCACFCWMIPVXGA-UHFFFAOYSA-N 1 2 461.408 3.737 20 0 JHADLO CC(=O)N1CCC([N@H+](Cc2cncs2)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001307795277 1070185251 /nfs/dbraw/zinc/18/52/51/1070185251.db2.gz VUNAZXQQJUQJQZ-FQEVSTJZSA-N 1 2 450.967 3.554 20 0 JHADLO CC(=O)N1CCC([N@@H+](Cc2cncs2)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001307795277 1070185257 /nfs/dbraw/zinc/18/52/57/1070185257.db2.gz VUNAZXQQJUQJQZ-FQEVSTJZSA-N 1 2 450.967 3.554 20 0 JHADLO OCC1(c2ccccc2)CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001307806310 1070191492 /nfs/dbraw/zinc/19/14/92/1070191492.db2.gz XDNVEZGUDRARIO-UHFFFAOYSA-N 1 2 451.880 3.861 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001307817951 1070198529 /nfs/dbraw/zinc/19/85/29/1070198529.db2.gz OKROQGNYTTZBLC-MRXNPFEDSA-N 1 2 457.402 3.559 20 0 JHADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001307816323 1070197022 /nfs/dbraw/zinc/19/70/22/1070197022.db2.gz NACAGLUMTFWYOU-IBGZPJMESA-N 1 2 456.587 3.664 20 0 JHADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001307816323 1070197024 /nfs/dbraw/zinc/19/70/24/1070197024.db2.gz NACAGLUMTFWYOU-IBGZPJMESA-N 1 2 456.587 3.664 20 0 JHADLO CN(CC1CCCCC1)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001307827864 1070202543 /nfs/dbraw/zinc/20/25/43/1070202543.db2.gz WHPZMVMRBXFHEG-DHIUTWEWSA-N 1 2 459.631 3.508 20 0 JHADLO CN(CC1CCCCC1)C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001307827864 1070202551 /nfs/dbraw/zinc/20/25/51/1070202551.db2.gz WHPZMVMRBXFHEG-DHIUTWEWSA-N 1 2 459.631 3.508 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1)CCC2 ZINC001307849246 1070210674 /nfs/dbraw/zinc/21/06/74/1070210674.db2.gz BASTTWZLKCPHJM-LSDHHAIUSA-N 1 2 450.601 3.652 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1)CCC2 ZINC001307849246 1070210686 /nfs/dbraw/zinc/21/06/86/1070210686.db2.gz BASTTWZLKCPHJM-LSDHHAIUSA-N 1 2 450.601 3.652 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001307883704 1070223235 /nfs/dbraw/zinc/22/32/35/1070223235.db2.gz ZUUAXGIZQMRAJN-RCCFBDPRSA-N 1 2 451.748 3.518 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001307883704 1070223244 /nfs/dbraw/zinc/22/32/44/1070223244.db2.gz ZUUAXGIZQMRAJN-RCCFBDPRSA-N 1 2 451.748 3.518 20 0 JHADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001307884617 1070223867 /nfs/dbraw/zinc/22/38/67/1070223867.db2.gz RPGZDCOCECTNMB-GKVQRAMASA-N 1 2 472.541 3.839 20 0 JHADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001307884617 1070223880 /nfs/dbraw/zinc/22/38/80/1070223880.db2.gz RPGZDCOCECTNMB-GKVQRAMASA-N 1 2 472.541 3.839 20 0 JHADLO CCCCn1c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001307898810 1070230724 /nfs/dbraw/zinc/23/07/24/1070230724.db2.gz DFZBEMJANHZHAY-HXUWFJFHSA-N 1 2 453.587 3.536 20 0 JHADLO CCCCn1c(C[N@H+]2CCC[C@@H](OC(C)C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001307898810 1070230741 /nfs/dbraw/zinc/23/07/41/1070230741.db2.gz DFZBEMJANHZHAY-HXUWFJFHSA-N 1 2 453.587 3.536 20 0 JHADLO CCO[C@@H]1C[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307899729 1070231057 /nfs/dbraw/zinc/23/10/57/1070231057.db2.gz JIEQPFUIXZBJBF-YLJYHZDGSA-N 1 2 474.627 3.686 20 0 JHADLO CCO[C@@H]1C[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307899729 1070231066 /nfs/dbraw/zinc/23/10/66/1070231066.db2.gz JIEQPFUIXZBJBF-YLJYHZDGSA-N 1 2 474.627 3.686 20 0 JHADLO CCOCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001314388400 1070238103 /nfs/dbraw/zinc/23/81/03/1070238103.db2.gz LRYFZXVCLDMDQL-UHFFFAOYSA-N 1 2 468.577 3.625 20 0 JHADLO CCC(CC)(CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001313066861 1070239299 /nfs/dbraw/zinc/23/92/99/1070239299.db2.gz BFRBTCFQPFRSTF-HXUWFJFHSA-N 1 2 450.599 3.734 20 0 JHADLO CCC(CC)(CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001313066861 1070239309 /nfs/dbraw/zinc/23/93/09/1070239309.db2.gz BFRBTCFQPFRSTF-HXUWFJFHSA-N 1 2 450.599 3.734 20 0 JHADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001307925125 1070244978 /nfs/dbraw/zinc/24/49/78/1070244978.db2.gz MVAQTDCVZYIHRX-OAHLLOKOSA-N 1 2 450.490 3.960 20 0 JHADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001307925125 1070244986 /nfs/dbraw/zinc/24/49/86/1070244986.db2.gz MVAQTDCVZYIHRX-OAHLLOKOSA-N 1 2 450.490 3.960 20 0 JHADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@@H](C)c1ccc(OC)cc1 ZINC001314392556 1070249059 /nfs/dbraw/zinc/24/90/59/1070249059.db2.gz RGOCPLPKDXLEIL-HXUWFJFHSA-N 1 2 450.587 3.739 20 0 JHADLO CCOCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001314392566 1070249122 /nfs/dbraw/zinc/24/91/22/1070249122.db2.gz RQWPCFUSILOUSY-CJFMBICVSA-N 1 2 471.650 3.711 20 0 JHADLO CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)n1 ZINC001307946729 1070253634 /nfs/dbraw/zinc/25/36/34/1070253634.db2.gz LDKRYQXTPWLNOK-NHCUHLMSSA-N 1 2 464.532 3.591 20 0 JHADLO CCN(CCOC)c1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)n1 ZINC001307946729 1070253654 /nfs/dbraw/zinc/25/36/54/1070253654.db2.gz LDKRYQXTPWLNOK-NHCUHLMSSA-N 1 2 464.532 3.591 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001314396819 1070256508 /nfs/dbraw/zinc/25/65/08/1070256508.db2.gz OMRHXLIATUJJEK-KRWDZBQOSA-N 1 2 474.606 3.508 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccccc1OC(F)F ZINC001314396837 1070256644 /nfs/dbraw/zinc/25/66/44/1070256644.db2.gz OQJBFODSISWEMD-UHFFFAOYSA-N 1 2 478.569 3.551 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1Cc1ccc(CC)s1 ZINC001314397509 1070256997 /nfs/dbraw/zinc/25/69/97/1070256997.db2.gz TXSPIHJXUMUKED-UHFFFAOYSA-N 1 2 473.618 3.957 20 0 JHADLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001307966184 1070262523 /nfs/dbraw/zinc/26/25/23/1070262523.db2.gz VNRUZQOPOQMIPS-LJQANCHMSA-N 1 2 453.539 3.743 20 0 JHADLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001307966184 1070262539 /nfs/dbraw/zinc/26/25/39/1070262539.db2.gz VNRUZQOPOQMIPS-LJQANCHMSA-N 1 2 453.539 3.743 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168150 1070277821 /nfs/dbraw/zinc/27/78/21/1070277821.db2.gz NLLZBUMWLCAMEN-GVAUOCQISA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC001313168150 1070277839 /nfs/dbraw/zinc/27/78/39/1070277839.db2.gz NLLZBUMWLCAMEN-GVAUOCQISA-N 1 2 455.574 3.633 20 0 JHADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)Cc3ccccc3OC(F)(F)F)C2)cc1 ZINC001313168110 1070276625 /nfs/dbraw/zinc/27/66/25/1070276625.db2.gz MUWMMIIVBUBPPQ-FQEVSTJZSA-N 1 2 451.489 3.936 20 0 JHADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)Cc3ccccc3OC(F)(F)F)C2)cc1 ZINC001313168110 1070276647 /nfs/dbraw/zinc/27/66/47/1070276647.db2.gz MUWMMIIVBUBPPQ-FQEVSTJZSA-N 1 2 451.489 3.936 20 0 JHADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001308009630 1070278590 /nfs/dbraw/zinc/27/85/90/1070278590.db2.gz BRKXJOILIPVBFN-CXAGYDPISA-N 1 2 451.420 3.671 20 0 JHADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001308009630 1070278603 /nfs/dbraw/zinc/27/86/03/1070278603.db2.gz BRKXJOILIPVBFN-CXAGYDPISA-N 1 2 451.420 3.671 20 0 JHADLO COc1ccc([C@@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308014423 1070280919 /nfs/dbraw/zinc/28/09/19/1070280919.db2.gz QRUQDUVSQIQKCN-XKCSPQBFSA-N 1 2 469.557 3.932 20 0 JHADLO COc1ccc([C@@H]2C[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308014423 1070280927 /nfs/dbraw/zinc/28/09/27/1070280927.db2.gz QRUQDUVSQIQKCN-XKCSPQBFSA-N 1 2 469.557 3.932 20 0 JHADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC001308068313 1070300733 /nfs/dbraw/zinc/30/07/33/1070300733.db2.gz VFLGERXKZDHQOT-ROUUACIJSA-N 1 2 455.393 3.875 20 0 JHADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072096 1070301876 /nfs/dbraw/zinc/30/18/76/1070301876.db2.gz NKMBJYFUSJCKIZ-RHSMWYFYSA-N 1 2 459.509 3.998 20 0 JHADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308072096 1070301899 /nfs/dbraw/zinc/30/18/99/1070301899.db2.gz NKMBJYFUSJCKIZ-RHSMWYFYSA-N 1 2 459.509 3.998 20 0 JHADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)NCCc1nc2ccccc2s1 ZINC001308117547 1070319042 /nfs/dbraw/zinc/31/90/42/1070319042.db2.gz WKXOLLFXQCMKGD-GOSISDBHSA-N 1 2 456.999 3.503 20 0 JHADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)NCCc1nc2ccccc2s1 ZINC001308117547 1070319059 /nfs/dbraw/zinc/31/90/59/1070319059.db2.gz WKXOLLFXQCMKGD-GOSISDBHSA-N 1 2 456.999 3.503 20 0 JHADLO CCOC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314439450 1070327518 /nfs/dbraw/zinc/32/75/18/1070327518.db2.gz CVZQUBVOZWTKCW-SIKLNZKXSA-N 1 2 470.568 3.708 20 0 JHADLO CCOC(=O)C1(CC(F)F)CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC001308153601 1070329995 /nfs/dbraw/zinc/32/99/95/1070329995.db2.gz SKUTZNDNHGAVFY-OAHLLOKOSA-N 1 2 453.555 3.944 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172127 1070335507 /nfs/dbraw/zinc/33/55/07/1070335507.db2.gz CMTAAUUMPANABB-ZHRRBRCNSA-N 1 2 451.637 3.692 20 0 JHADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)s1 ZINC001308172127 1070335517 /nfs/dbraw/zinc/33/55/17/1070335517.db2.gz CMTAAUUMPANABB-ZHRRBRCNSA-N 1 2 451.637 3.692 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001313377710 1070340373 /nfs/dbraw/zinc/34/03/73/1070340373.db2.gz NFDVGFPAOUUJNW-HKBOAZHASA-N 1 2 457.619 3.870 20 0 JHADLO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cncc3Br)cn2)CCO1 ZINC001308198943 1070340465 /nfs/dbraw/zinc/34/04/65/1070340465.db2.gz DVDLTVJZPWIJNO-LBPRGKRZSA-N 1 2 456.182 3.517 20 0 JHADLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(F)cc2I)cc1Cl ZINC001308371521 1070363085 /nfs/dbraw/zinc/36/30/85/1070363085.db2.gz SDISLWNIEPSLKC-UHFFFAOYSA-N 1 2 453.704 3.777 20 0 JHADLO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNc3cccc(CN4CCOCC4)[nH+]3)o2)C1 ZINC001308357245 1070360690 /nfs/dbraw/zinc/36/06/90/1070360690.db2.gz QKIUUOWKEAPBOU-IBGZPJMESA-N 1 2 456.587 3.677 20 0 JHADLO CCOCCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314473530 1070384434 /nfs/dbraw/zinc/38/44/34/1070384434.db2.gz BPMVTNWZDROXJT-IBGZPJMESA-N 1 2 461.676 3.859 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593260 1070397496 /nfs/dbraw/zinc/39/74/96/1070397496.db2.gz ZUQJBIZUNVCPRT-ROUUACIJSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593260 1070397512 /nfs/dbraw/zinc/39/75/12/1070397512.db2.gz ZUQJBIZUNVCPRT-ROUUACIJSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593259 1070397732 /nfs/dbraw/zinc/39/77/32/1070397732.db2.gz ZUQJBIZUNVCPRT-QZTJIDSGSA-N 1 2 458.024 3.741 20 0 JHADLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001308593259 1070397750 /nfs/dbraw/zinc/39/77/50/1070397750.db2.gz ZUQJBIZUNVCPRT-QZTJIDSGSA-N 1 2 458.024 3.741 20 0 JHADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC001308622091 1070404031 /nfs/dbraw/zinc/40/40/31/1070404031.db2.gz HVEQYZNIEQCHPG-IBGZPJMESA-N 1 2 458.050 3.952 20 0 JHADLO CC(C)(C)CC[C@H](C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001308653845 1070410778 /nfs/dbraw/zinc/41/07/78/1070410778.db2.gz BLTALMYWTIUIKW-OAQYLSRUSA-N 1 2 452.684 3.726 20 0 JHADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC001308651260 1070410838 /nfs/dbraw/zinc/41/08/38/1070410838.db2.gz ZWDRAQUZFXQEBL-QGZVFWFLSA-N 1 2 454.423 3.826 20 0 JHADLO COC(=O)c1cn(C2CC[NH+](Cc3cc(Br)cc(C)c3OC(F)F)CC2)nn1 ZINC001308671574 1070414955 /nfs/dbraw/zinc/41/49/55/1070414955.db2.gz CJNIWRWGSBMQIE-UHFFFAOYSA-N 1 2 459.291 3.574 20 0 JHADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cs1)c1ccccc1 ZINC001308714437 1070423579 /nfs/dbraw/zinc/42/35/79/1070423579.db2.gz IBDZSURTGCXXJP-LJQANCHMSA-N 1 2 450.564 3.597 20 0 JHADLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001308966022 1070467763 /nfs/dbraw/zinc/46/77/63/1070467763.db2.gz LCDSOVZHOIQXCO-OAQYLSRUSA-N 1 2 459.384 3.736 20 0 JHADLO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1cccc(C)[nH+]1 ZINC001314522205 1070510075 /nfs/dbraw/zinc/51/00/75/1070510075.db2.gz FRWWINMGRBPQCZ-UHFFFAOYSA-N 1 2 480.009 3.945 20 0 JHADLO CC(C)c1ccc([C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)N2CCc3sccc3C2)cc1 ZINC001309067639 1070520377 /nfs/dbraw/zinc/52/03/77/1070520377.db2.gz UADVNELCVUIDTF-JOCHJYFZSA-N 1 2 458.653 3.787 20 0 JHADLO CC[S@@](=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001314564047 1070566974 /nfs/dbraw/zinc/56/69/74/1070566974.db2.gz IGLHAHXBLSSOSV-HYHKQLJDSA-N 1 2 473.668 3.667 20 0 JHADLO CCCOc1ccc(Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)cn1 ZINC001313514954 1070572748 /nfs/dbraw/zinc/57/27/48/1070572748.db2.gz BOCAXFSFHJAPKA-UHFFFAOYSA-N 1 2 469.659 3.895 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1C ZINC001309156323 1070573469 /nfs/dbraw/zinc/57/34/69/1070573469.db2.gz IFLDAOSZNSDCNC-LJQANCHMSA-N 1 2 450.988 3.768 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1C ZINC001309156323 1070573481 /nfs/dbraw/zinc/57/34/81/1070573481.db2.gz IFLDAOSZNSDCNC-LJQANCHMSA-N 1 2 450.988 3.768 20 0 JHADLO CCCOc1ncccc1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313518037 1070581602 /nfs/dbraw/zinc/58/16/02/1070581602.db2.gz KFRLGBSDXWAMAD-UHFFFAOYSA-N 1 2 471.005 3.599 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001313522977 1070593298 /nfs/dbraw/zinc/59/32/98/1070593298.db2.gz LTRQTEUNMRYDII-ZEQRLZLVSA-N 1 2 485.673 3.980 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001313522977 1070593307 /nfs/dbraw/zinc/59/33/07/1070593307.db2.gz LTRQTEUNMRYDII-ZEQRLZLVSA-N 1 2 485.673 3.980 20 0 JHADLO CCSc1cc(Cn2c(C)nnc2N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)ccn1 ZINC001314582554 1070596714 /nfs/dbraw/zinc/59/67/14/1070596714.db2.gz FIWWNVAGKCMBBN-UHFFFAOYSA-N 1 2 456.591 3.612 20 0 JHADLO CCCO[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001313530833 1070613307 /nfs/dbraw/zinc/61/33/07/1070613307.db2.gz XLRVPEPMCXJQDO-OAQYLSRUSA-N 1 2 464.618 3.810 20 0 JHADLO CCSc1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC001314589118 1070615549 /nfs/dbraw/zinc/61/55/49/1070615549.db2.gz HSJCSMMLGDAZGP-QHCPKHFHSA-N 1 2 486.730 3.793 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC001309233577 1070632230 /nfs/dbraw/zinc/63/22/30/1070632230.db2.gz BBAPUSCKKUOFAL-UHFFFAOYSA-N 1 2 456.381 3.910 20 0 JHADLO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001314594088 1070630482 /nfs/dbraw/zinc/63/04/82/1070630482.db2.gz JNEPQUZDIRYISU-HAGHYFMRSA-N 1 2 497.756 3.655 20 0 JHADLO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001313548352 1070661796 /nfs/dbraw/zinc/66/17/96/1070661796.db2.gz ZIDYFKSIJDICPD-QGZVFWFLSA-N 1 2 489.690 3.888 20 0 JHADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2)cc(OC)c1 ZINC001309289153 1070671643 /nfs/dbraw/zinc/67/16/43/1070671643.db2.gz BYDWWPSTSNLPCR-QFIPXVFZSA-N 1 2 452.576 3.924 20 0 JHADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2)cc(OC)c1 ZINC001309289153 1070671654 /nfs/dbraw/zinc/67/16/54/1070671654.db2.gz BYDWWPSTSNLPCR-QFIPXVFZSA-N 1 2 452.576 3.924 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001314612446 1070678190 /nfs/dbraw/zinc/67/81/90/1070678190.db2.gz ZNTGQKVTPUCREE-ICSRJNTNSA-N 1 2 471.675 3.631 20 0 JHADLO CCSCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001314614074 1070682293 /nfs/dbraw/zinc/68/22/93/1070682293.db2.gz JDUYZTOUWLRCEL-UHFFFAOYSA-N 1 2 486.455 3.758 20 0 JHADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC001313577457 1070695399 /nfs/dbraw/zinc/69/53/99/1070695399.db2.gz IHIBJUNKNSDEHK-NTKDMRAZSA-N 1 2 477.650 4.000 20 0 JHADLO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc21 ZINC001309389165 1070740212 /nfs/dbraw/zinc/74/02/12/1070740212.db2.gz AJTHHUOANMPASW-GOSISDBHSA-N 1 2 456.612 3.801 20 0 JHADLO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314647956 1070751372 /nfs/dbraw/zinc/75/13/72/1070751372.db2.gz CTXCEDWXTNRKSF-UXHICEINSA-N 1 2 471.556 3.568 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314650883 1070759545 /nfs/dbraw/zinc/75/95/45/1070759545.db2.gz MJMNLOAFBALZPP-DBVUQKKJSA-N 1 2 463.573 3.614 20 0 JHADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313635431 1070770142 /nfs/dbraw/zinc/77/01/42/1070770142.db2.gz NHJOWTDAUVCAED-ZJSXRUAMSA-N 1 2 455.647 3.600 20 0 JHADLO C[NH+](C)[C@@H](Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1c(F)cccc1F ZINC001314655935 1070773970 /nfs/dbraw/zinc/77/39/70/1070773970.db2.gz UWTQTKPOPGXIMA-NRFANRHFSA-N 1 2 488.627 3.996 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)c[nH+]1 ZINC001314662119 1070788455 /nfs/dbraw/zinc/78/84/55/1070788455.db2.gz YPNKOQKJIVVXOR-GOSISDBHSA-N 1 2 458.513 3.529 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccco2)c[nH+]1 ZINC001314661228 1070785903 /nfs/dbraw/zinc/78/59/03/1070785903.db2.gz OKQWSMASZJQYFS-UHFFFAOYSA-N 1 2 456.348 3.774 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(c3ccc(F)cc3)C2)c[nH+]1 ZINC001314661869 1070787618 /nfs/dbraw/zinc/78/76/18/1070787618.db2.gz TWUDITRWTIOJCO-VWLOTQADSA-N 1 2 452.578 3.613 20 0 JHADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C3CCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C)C2 ZINC001314664428 1070794860 /nfs/dbraw/zinc/79/48/60/1070794860.db2.gz UFIZHZMNQUGFQA-UHFFFAOYSA-N 1 2 491.587 3.729 20 0 JHADLO O=S(=O)(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(Br)ccc1F ZINC001309485966 1070801589 /nfs/dbraw/zinc/80/15/89/1070801589.db2.gz LMUUIXVHNVCSOF-QGZVFWFLSA-N 1 2 453.333 3.991 20 0 JHADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC001309495294 1070810325 /nfs/dbraw/zinc/81/03/25/1070810325.db2.gz DJRZUFQJKZRLQX-GFCCVEGCSA-N 1 2 454.228 3.625 20 0 JHADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC001309495294 1070810351 /nfs/dbraw/zinc/81/03/51/1070810351.db2.gz DJRZUFQJKZRLQX-GFCCVEGCSA-N 1 2 454.228 3.625 20 0 JHADLO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC001314676599 1070822457 /nfs/dbraw/zinc/82/24/57/1070822457.db2.gz BWMHTQYCBOYPPE-UHFFFAOYSA-N 1 2 489.064 3.741 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313672879 1070905711 /nfs/dbraw/zinc/90/57/11/1070905711.db2.gz ICCLMFMZNGNUEJ-KDURUIRLSA-N 1 2 480.613 3.865 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313672880 1070905791 /nfs/dbraw/zinc/90/57/91/1070905791.db2.gz ICCLMFMZNGNUEJ-OALUTQOASA-N 1 2 480.613 3.865 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313675794 1070918329 /nfs/dbraw/zinc/91/83/29/1070918329.db2.gz QNWXYXLGHVXUAH-RBUKOAKNSA-N 1 2 465.664 3.655 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@H](C(=O)OC)C2)c[nH+]1 ZINC001313677512 1070925147 /nfs/dbraw/zinc/92/51/47/1070925147.db2.gz RXFJOKBKXDUZEH-SFHVURJKSA-N 1 2 499.015 3.896 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001313677511 1070925224 /nfs/dbraw/zinc/92/52/24/1070925224.db2.gz RXFJOKBKXDUZEH-GOSISDBHSA-N 1 2 499.015 3.896 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001313677529 1070925269 /nfs/dbraw/zinc/92/52/69/1070925269.db2.gz SLOXMFIKSDVTCK-SFHVURJKSA-N 1 2 464.492 3.904 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCCOC3)C2)c[nH+]1 ZINC001313678796 1070931432 /nfs/dbraw/zinc/93/14/32/1070931432.db2.gz JANXVAQOHRIFOI-IBVKSMDESA-N 1 2 470.662 3.931 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCCOC3)C2)c[nH+]1 ZINC001313678797 1070931731 /nfs/dbraw/zinc/93/17/31/1070931731.db2.gz JANXVAQOHRIFOI-RXFWQSSRSA-N 1 2 470.662 3.931 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c[nH+]1 ZINC001313679058 1070933289 /nfs/dbraw/zinc/93/32/89/1070933289.db2.gz GXXRYAXBZJPMTG-UNMCSNQZSA-N 1 2 483.661 3.502 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@H]2C(C)C)c[nH+]1 ZINC001313680984 1070940346 /nfs/dbraw/zinc/94/03/46/1070940346.db2.gz PXNCSNLSCDZFLG-XJUOHMSHSA-N 1 2 456.635 3.916 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@]3(CCO[C@H]3C)C2)c[nH+]1 ZINC001313679988 1070936941 /nfs/dbraw/zinc/93/69/41/1070936941.db2.gz QHYFDQXOIIYUGM-DFBJGRDBSA-N 1 2 456.635 3.540 20 0 JHADLO CCN(CC)c1ccc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(=O)OC)C2)c[nH+]1 ZINC001313680184 1070937867 /nfs/dbraw/zinc/93/78/67/1070937867.db2.gz XHMORROOSYZIHR-QFIPXVFZSA-N 1 2 492.624 3.763 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313683518 1070944133 /nfs/dbraw/zinc/94/41/33/1070944133.db2.gz FEFSDAUQMMMNFF-ROUUACIJSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313683518 1070944138 /nfs/dbraw/zinc/94/41/38/1070944138.db2.gz FEFSDAUQMMMNFF-ROUUACIJSA-N 1 2 468.581 3.904 20 0 JHADLO CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001313684713 1070945431 /nfs/dbraw/zinc/94/54/31/1070945431.db2.gz VKALINUIRGKZBK-UHFFFAOYSA-N 1 2 471.403 3.834 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC001309850205 1070995896 /nfs/dbraw/zinc/99/58/96/1070995896.db2.gz WDBPQELTUISTID-IAGOWNOFSA-N 1 2 468.419 3.926 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC001309850205 1070995903 /nfs/dbraw/zinc/99/59/03/1070995903.db2.gz WDBPQELTUISTID-IAGOWNOFSA-N 1 2 468.419 3.926 20 0 JHADLO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001309995295 1071045209 /nfs/dbraw/zinc/04/52/09/1071045209.db2.gz ILTSQZSJNJDLCZ-UHFFFAOYSA-N 1 2 451.980 3.580 20 0 JHADLO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2OCC[C@H]2COC)n1CC[N@@H+]1CCOCC1(C)C ZINC001313734070 1071053649 /nfs/dbraw/zinc/05/36/49/1071053649.db2.gz TWVZTGKJYKPIQI-PXNSSMCTSA-N 1 2 498.093 3.854 20 0 JHADLO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2OCC[C@H]2COC)n1CC[N@H+]1CCOCC1(C)C ZINC001313734070 1071053660 /nfs/dbraw/zinc/05/36/60/1071053660.db2.gz TWVZTGKJYKPIQI-PXNSSMCTSA-N 1 2 498.093 3.854 20 0 JHADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)cc2)C1 ZINC001310044037 1071080361 /nfs/dbraw/zinc/08/03/61/1071080361.db2.gz XLIPGUQLHFFHOL-IXFSTUDKSA-N 1 2 456.612 3.661 20 0 JHADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H]3c4ccccc4C[N@H+]3C)cc2)C1 ZINC001310044037 1071080346 /nfs/dbraw/zinc/08/03/46/1071080346.db2.gz XLIPGUQLHFFHOL-IXFSTUDKSA-N 1 2 456.612 3.661 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001313752180 1071088080 /nfs/dbraw/zinc/08/80/80/1071088080.db2.gz XONNDJPQIRYECS-UHFFFAOYSA-N 1 2 450.978 3.868 20 0 JHADLO O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001310075635 1071100898 /nfs/dbraw/zinc/10/08/98/1071100898.db2.gz WQCJNCCEMXDZSM-UHFFFAOYSA-N 1 2 457.600 3.755 20 0 JHADLO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(Cl)cc2)n1Cc1c[nH+]ccc1OC ZINC001313757014 1071100998 /nfs/dbraw/zinc/10/09/98/1071100998.db2.gz ZSYDKUHVENIGEM-UHFFFAOYSA-N 1 2 467.961 3.722 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001313773912 1071127862 /nfs/dbraw/zinc/12/78/62/1071127862.db2.gz YDLKDQNFPNJWAL-PKTZIBPZSA-N 1 2 455.647 3.963 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC001310132523 1071143285 /nfs/dbraw/zinc/14/32/85/1071143285.db2.gz LIBXLPPEOXNDRW-MOPGFXCFSA-N 1 2 451.354 3.546 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001310132523 1071143291 /nfs/dbraw/zinc/14/32/91/1071143291.db2.gz LIBXLPPEOXNDRW-MOPGFXCFSA-N 1 2 451.354 3.546 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC001310132526 1071143424 /nfs/dbraw/zinc/14/34/24/1071143424.db2.gz LIBXLPPEOXNDRW-RTBURBONSA-N 1 2 451.354 3.546 20 0 JHADLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001310132526 1071143431 /nfs/dbraw/zinc/14/34/31/1071143431.db2.gz LIBXLPPEOXNDRW-RTBURBONSA-N 1 2 451.354 3.546 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@H](F)C1 ZINC001313778534 1071140355 /nfs/dbraw/zinc/14/03/55/1071140355.db2.gz JLJVAYSOHYYAFP-MEMLXQNLSA-N 1 2 471.625 3.692 20 0 JHADLO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001310155388 1071160004 /nfs/dbraw/zinc/16/00/04/1071160004.db2.gz PNUISUKEUSNDLW-SFHVURJKSA-N 1 2 453.612 3.971 20 0 JHADLO CS(=O)(=O)Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001310206564 1071206535 /nfs/dbraw/zinc/20/65/35/1071206535.db2.gz VJMILQAASSXYJU-IBGZPJMESA-N 1 2 453.967 3.810 20 0 JHADLO CS(=O)(=O)Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001310206564 1071206542 /nfs/dbraw/zinc/20/65/42/1071206542.db2.gz VJMILQAASSXYJU-IBGZPJMESA-N 1 2 453.967 3.810 20 0 JHADLO COC(=O)C[C@](C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC001310285184 1071269952 /nfs/dbraw/zinc/26/99/52/1071269952.db2.gz AOVFFFMURBNSBP-DEOSSOPVSA-N 1 2 452.511 3.571 20 0 JHADLO COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C[C@H]1c1ccc(F)cc1F ZINC001310291187 1071274634 /nfs/dbraw/zinc/27/46/34/1071274634.db2.gz OXESDCONTBEUEI-WQTXXOFMSA-N 1 2 473.520 3.779 20 0 JHADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCOCC1 ZINC001314870573 1071280804 /nfs/dbraw/zinc/28/08/04/1071280804.db2.gz DVCTUSMSOMONKY-UHFFFAOYSA-N 1 2 498.716 3.512 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ccc(Cl)cn1 ZINC001314870616 1071281765 /nfs/dbraw/zinc/28/17/65/1071281765.db2.gz SIWBIFVQKNWNDZ-UHFFFAOYSA-N 1 2 495.386 3.633 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1CCC[C@H]1CCCCO1 ZINC001314870920 1071282719 /nfs/dbraw/zinc/28/27/19/1071282719.db2.gz WUQFTSOCSJQQGT-QGZVFWFLSA-N 1 2 498.491 3.887 20 0 JHADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CCC1 ZINC001314871622 1071284063 /nfs/dbraw/zinc/28/40/63/1071284063.db2.gz JWMCNBFRBFRMEM-MGBGTMOVSA-N 1 2 498.068 3.586 20 0 JHADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CCC1 ZINC001314871622 1071284071 /nfs/dbraw/zinc/28/40/71/1071284071.db2.gz JWMCNBFRBFRMEM-MGBGTMOVSA-N 1 2 498.068 3.586 20 0 JHADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)CC2)c1 ZINC001310358820 1071336486 /nfs/dbraw/zinc/33/64/86/1071336486.db2.gz PXAAYSHLBMLXMO-KRWDZBQOSA-N 1 2 454.527 3.571 20 0 JHADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001310379016 1071353493 /nfs/dbraw/zinc/35/34/93/1071353493.db2.gz QQVRFKALQDFIFF-GOSISDBHSA-N 1 2 454.571 3.706 20 0 JHADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc2cc(Br)ccc2c1 ZINC001310403380 1071369832 /nfs/dbraw/zinc/36/98/32/1071369832.db2.gz PTEUJZQKXLQZDZ-HXUWFJFHSA-N 1 2 450.402 3.932 20 0 JHADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3cc(C)ccc3Cl)cc2)CC1 ZINC001310428119 1071385671 /nfs/dbraw/zinc/38/56/71/1071385671.db2.gz UJWQDVXNLAYEHV-UHFFFAOYSA-N 1 2 458.990 3.556 20 0 JHADLO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001314935312 1071383400 /nfs/dbraw/zinc/38/34/00/1071383400.db2.gz RXPXEWUKXXAMCV-NRFANRHFSA-N 1 2 491.640 3.529 20 0 JHADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001313872908 1071423145 /nfs/dbraw/zinc/42/31/45/1071423145.db2.gz YFQPSQLZKGEIQZ-NHCUHLMSSA-N 1 2 473.687 3.860 20 0 JHADLO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001313872908 1071423158 /nfs/dbraw/zinc/42/31/58/1071423158.db2.gz YFQPSQLZKGEIQZ-NHCUHLMSSA-N 1 2 473.687 3.860 20 0 JHADLO CNC(=O)c1cccc(CCn2c(C(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001314979278 1071478560 /nfs/dbraw/zinc/47/85/60/1071478560.db2.gz LPYBFPWAAMMEIZ-QFIPXVFZSA-N 1 2 496.681 3.575 20 0 JHADLO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001314990795 1071506119 /nfs/dbraw/zinc/50/61/19/1071506119.db2.gz UTKRSEPGOVDYFE-SFHVURJKSA-N 1 2 498.429 3.567 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927545 1071580481 /nfs/dbraw/zinc/58/04/81/1071580481.db2.gz MANQHYSUQNYPDU-HXUWFJFHSA-N 1 2 461.054 3.773 20 0 JHADLO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313928740 1071584685 /nfs/dbraw/zinc/58/46/85/1071584685.db2.gz VXGGSRFTZYMOEI-FQEVSTJZSA-N 1 2 458.626 3.791 20 0 JHADLO CCOC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001314055626 1071882213 /nfs/dbraw/zinc/88/22/13/1071882213.db2.gz PSCKBQMUWLYTOZ-OAQYLSRUSA-N 1 2 478.037 3.799 20 0 JHADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCSC(F)(F)F)cc1 ZINC001305945891 1068260334 /nfs/dbraw/zinc/26/03/34/1068260334.db2.gz XINJTHOLFSOFMV-UHFFFAOYSA-N 1 2 496.603 3.505 20 0 JHADLO CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC001305991909 1068353149 /nfs/dbraw/zinc/35/31/49/1068353149.db2.gz GXWCXCBJYBYPRG-UHFFFAOYSA-N 1 2 454.648 3.553 20 0 JHADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCSCC(F)(F)F ZINC001306073853 1068506888 /nfs/dbraw/zinc/50/68/88/1068506888.db2.gz FZEMWXNDNBPNBC-HNNXBMFYSA-N 1 2 463.595 3.707 20 0 JHADLO CCc1nnc(N(C)Cc2cc(OC)cc(OC)c2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001306072558 1068507122 /nfs/dbraw/zinc/50/71/22/1068507122.db2.gz DBHUELOWWJRHBF-UHFFFAOYSA-N 1 2 450.587 3.928 20 0 JHADLO CCc1nnc(N(C)Cc2c(F)cccc2Cl)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306077695 1068509162 /nfs/dbraw/zinc/50/91/62/1068509162.db2.gz RNKDXTUHQRHVDF-MRXNPFEDSA-N 1 2 458.969 3.938 20 0 JHADLO CCc1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001306098203 1068517013 /nfs/dbraw/zinc/51/70/13/1068517013.db2.gz ICGLGHBKTUQLQV-UHFFFAOYSA-N 1 2 450.587 3.741 20 0 JHADLO CCc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001306123481 1068531658 /nfs/dbraw/zinc/53/16/58/1068531658.db2.gz XQXMAKXMLHWICX-SIKLNZKXSA-N 1 2 479.629 3.873 20 0 JHADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1ccc(OC)cc1F ZINC001306197288 1068589490 /nfs/dbraw/zinc/58/94/90/1068589490.db2.gz FEGGZJJVUIHTCM-UHFFFAOYSA-N 1 2 453.566 3.585 20 0 JHADLO CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306283984 1068701442 /nfs/dbraw/zinc/70/14/42/1068701442.db2.gz NZLZTDBXYHAELB-PGRDOPGGSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306283984 1068701448 /nfs/dbraw/zinc/70/14/48/1068701448.db2.gz NZLZTDBXYHAELB-PGRDOPGGSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306343195 1068778987 /nfs/dbraw/zinc/77/89/87/1068778987.db2.gz QTNORHCTBSOWAV-LEWJYISDSA-N 1 2 458.626 3.649 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306399688 1068855903 /nfs/dbraw/zinc/85/59/03/1068855903.db2.gz CYNXDCIVTNJKLO-JBCOSWRDSA-N 1 2 494.105 3.693 20 0 JHADLO CC[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306422698 1068915937 /nfs/dbraw/zinc/91/59/37/1068915937.db2.gz HXIYCPBOQFHAQV-AZUAARDMSA-N 1 2 469.634 3.794 20 0 JHADLO CC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306449618 1068967680 /nfs/dbraw/zinc/96/76/80/1068967680.db2.gz KCSOSZLOBADKCX-KNQAVFIVSA-N 1 2 464.614 3.585 20 0 JHADLO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306467683 1069008101 /nfs/dbraw/zinc/00/81/01/1069008101.db2.gz WECBKNXVMRETRY-PBASOCQRSA-N 1 2 499.660 3.562 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001306467677 1069008164 /nfs/dbraw/zinc/00/81/64/1069008164.db2.gz WECBKNXVMRETRY-AYWYSENESA-N 1 2 499.660 3.562 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306471390 1069015426 /nfs/dbraw/zinc/01/54/26/1069015426.db2.gz WHAUQXQWXLTGRJ-NJRZHNRPSA-N 1 2 468.646 3.533 20 0 JHADLO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306498604 1069051027 /nfs/dbraw/zinc/05/10/27/1069051027.db2.gz PREIBWOPXMOSQI-QFIPXVFZSA-N 1 2 462.598 3.845 20 0 JHADLO O=C(Nc1ccn2cc[nH+]c2c1)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001310674352 1069102619 /nfs/dbraw/zinc/10/26/19/1069102619.db2.gz DHCOKUZZWQGPBT-UHFFFAOYSA-N 1 2 457.332 3.915 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001306512342 1069108277 /nfs/dbraw/zinc/10/82/77/1069108277.db2.gz NFGMMDRDUBLVRH-RUZDIDTESA-N 1 2 496.700 3.744 20 0 JHADLO Cc1c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nnn1CCOc1ccc(F)cc1 ZINC001310724917 1069136958 /nfs/dbraw/zinc/13/69/58/1069136958.db2.gz AMHTVEDVVUKDHQ-UHFFFAOYSA-N 1 2 455.538 3.725 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)CC1 ZINC001310732245 1069141593 /nfs/dbraw/zinc/14/15/93/1069141593.db2.gz SBYJCXLKBCDUQY-UHFFFAOYSA-N 1 2 453.008 3.508 20 0 JHADLO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306527082 1069157168 /nfs/dbraw/zinc/15/71/68/1069157168.db2.gz CZVLEUWTWCXGGW-RCZVLFRGSA-N 1 2 475.081 3.754 20 0 JHADLO CCC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001306543378 1069194820 /nfs/dbraw/zinc/19/48/20/1069194820.db2.gz YJJMGKCRXRCPTO-RUZDIDTESA-N 1 2 469.033 3.791 20 0 JHADLO CC(C)CCOc1ccc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC001310938246 1069227999 /nfs/dbraw/zinc/22/79/99/1069227999.db2.gz VATGHFUVUNBJEZ-UHFFFAOYSA-N 1 2 457.550 3.506 20 0 JHADLO CCC[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306563272 1069231713 /nfs/dbraw/zinc/23/17/13/1069231713.db2.gz QFYANPNMMIIZHG-LEWJYISDSA-N 1 2 463.630 3.805 20 0 JHADLO C[C@@H]1COCCN1c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC001311053829 1069259252 /nfs/dbraw/zinc/25/92/52/1069259252.db2.gz LOVDSNDRMJFMTK-GOSISDBHSA-N 1 2 458.990 3.719 20 0 JHADLO C[C@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001311080081 1069266618 /nfs/dbraw/zinc/26/66/18/1069266618.db2.gz JADOJUPEDAIVLX-NRFANRHFSA-N 1 2 452.452 3.790 20 0 JHADLO C[C@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001311080081 1069266633 /nfs/dbraw/zinc/26/66/33/1069266633.db2.gz JADOJUPEDAIVLX-NRFANRHFSA-N 1 2 452.452 3.790 20 0 JHADLO CCC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001306618450 1069301020 /nfs/dbraw/zinc/30/10/20/1069301020.db2.gz RYDRRGWGXIWFRT-QFIPXVFZSA-N 1 2 483.638 3.690 20 0 JHADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416963 718890911 /nfs/dbraw/zinc/89/09/11/718890911.db2.gz GQUDVOOPFZMXGG-GFCCVEGCSA-N 1 2 474.693 3.585 20 0 JHADLO Cc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c(Cl)nn1 ZINC001164417317 718891071 /nfs/dbraw/zinc/89/10/71/718891071.db2.gz JMAVVKKGZDQPJD-ZDUSSCGKSA-N 1 2 458.694 3.971 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164658036 719350343 /nfs/dbraw/zinc/35/03/43/719350343.db2.gz BSMRYKNHTPMGST-UHFFFAOYSA-N 1 2 454.578 3.628 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164658036 719350345 /nfs/dbraw/zinc/35/03/45/719350345.db2.gz BSMRYKNHTPMGST-UHFFFAOYSA-N 1 2 454.578 3.628 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164658407 719350514 /nfs/dbraw/zinc/35/05/14/719350514.db2.gz GHVCKDYOJKPGRM-UHFFFAOYSA-N 1 2 494.043 3.661 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164658407 719350517 /nfs/dbraw/zinc/35/05/17/719350517.db2.gz GHVCKDYOJKPGRM-UHFFFAOYSA-N 1 2 494.043 3.661 20 0 JHADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2[nH]1 ZINC001164674547 719503996 /nfs/dbraw/zinc/50/39/96/719503996.db2.gz ZQHYQWSYLFBVOL-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2[nH]1 ZINC001164674547 719504002 /nfs/dbraw/zinc/50/40/02/719504002.db2.gz ZQHYQWSYLFBVOL-UHFFFAOYSA-N 1 2 452.530 3.750 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1OCC ZINC001164673903 719506337 /nfs/dbraw/zinc/50/63/37/719506337.db2.gz URBNWNOQPCVSJQ-UHFFFAOYSA-N 1 2 457.546 3.668 20 0 JHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1OCC ZINC001164673903 719506344 /nfs/dbraw/zinc/50/63/44/719506344.db2.gz URBNWNOQPCVSJQ-UHFFFAOYSA-N 1 2 457.546 3.668 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3nccc(Cl)n3)CC2)cc1 ZINC001164695165 719829890 /nfs/dbraw/zinc/82/98/90/719829890.db2.gz BXIZGMSLJGMFIZ-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164706082 719847753 /nfs/dbraw/zinc/84/77/53/719847753.db2.gz WEMFKPFTVOIMHL-ODXCJYRJSA-N 1 2 473.788 3.823 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164704026 719862893 /nfs/dbraw/zinc/86/28/93/719862893.db2.gz QOVIAUBZCFZPRK-YCRPNKLZSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164707139 719873164 /nfs/dbraw/zinc/87/31/64/719873164.db2.gz QSLSYNDJMORJHJ-UWJYYQICSA-N 1 2 453.917 3.666 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001164704327 719876508 /nfs/dbraw/zinc/87/65/08/719876508.db2.gz LAEGTLJOVUDFIU-IVZQSRNASA-N 1 2 483.371 3.822 20 0 JHADLO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1 ZINC001164704315 719878659 /nfs/dbraw/zinc/87/86/59/719878659.db2.gz VFTGKMBBFMRWFR-UUOWRZLLSA-N 1 2 474.989 3.717 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164823994 720368255 /nfs/dbraw/zinc/36/82/55/720368255.db2.gz GKECMKKKSYJQJE-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164823994 720368265 /nfs/dbraw/zinc/36/82/65/720368265.db2.gz GKECMKKKSYJQJE-UHFFFAOYSA-N 1 2 474.993 3.500 20 0 JHADLO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c12 ZINC001164819324 720377793 /nfs/dbraw/zinc/37/77/93/720377793.db2.gz CMOWXPUNNHHWTE-UHFFFAOYSA-N 1 2 459.019 3.603 20 0 JHADLO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c12 ZINC001164819324 720377798 /nfs/dbraw/zinc/37/77/98/720377798.db2.gz CMOWXPUNNHHWTE-UHFFFAOYSA-N 1 2 459.019 3.603 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)CC3)C2=O)cs1 ZINC001164820534 720379318 /nfs/dbraw/zinc/37/93/18/720379318.db2.gz PNMGQNKPNOIIOU-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)CC3)C2=O)cs1 ZINC001164820534 720379327 /nfs/dbraw/zinc/37/93/27/720379327.db2.gz PNMGQNKPNOIIOU-UHFFFAOYSA-N 1 2 483.041 3.875 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(F)F)nc5ccccc54)CC3)C2=O)cs1 ZINC001164821724 720381871 /nfs/dbraw/zinc/38/18/71/720381871.db2.gz IAKZXCIBAGEHRO-UHFFFAOYSA-N 1 2 472.565 3.646 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(F)F)nc5ccccc54)CC3)C2=O)cs1 ZINC001164821724 720381875 /nfs/dbraw/zinc/38/18/75/720381875.db2.gz IAKZXCIBAGEHRO-UHFFFAOYSA-N 1 2 472.565 3.646 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001164825662 720440485 /nfs/dbraw/zinc/44/04/85/720440485.db2.gz TVKGUJWKPQFAKO-HXUWFJFHSA-N 1 2 490.633 3.544 20 0 JHADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(SCc3ccccc3)ccn1)C2 ZINC001164828748 720473728 /nfs/dbraw/zinc/47/37/28/720473728.db2.gz AIVYFRZIWZUWKK-JOCHJYFZSA-N 1 2 479.650 3.560 20 0 JHADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164857919 720896896 /nfs/dbraw/zinc/89/68/96/720896896.db2.gz KQHZBRNTHNFISD-UHFFFAOYSA-N 1 2 472.883 3.752 20 0 JHADLO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860941 720897622 /nfs/dbraw/zinc/89/76/22/720897622.db2.gz WMQCHVJHWCMZJY-OUTSHDOLSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1ccccc1 ZINC001164860941 720897626 /nfs/dbraw/zinc/89/76/26/720897626.db2.gz WMQCHVJHWCMZJY-OUTSHDOLSA-N 1 2 483.616 3.593 20 0 JHADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870759 721218365 /nfs/dbraw/zinc/21/83/65/721218365.db2.gz HOGSJLFKRFUEOP-UHFFFAOYSA-N 1 2 493.942 3.513 20 0 JHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872847 721219258 /nfs/dbraw/zinc/21/92/58/721219258.db2.gz OPKNGNGWAVXGQM-UHFFFAOYSA-N 1 2 461.900 3.979 20 0 JHADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869477 721222689 /nfs/dbraw/zinc/22/26/89/721222689.db2.gz CNFHNUXUBMFGFM-UHFFFAOYSA-N 1 2 462.888 3.601 20 0 JHADLO Cc1nc(CN2CC[C@]3(CCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2=O)cs1 ZINC001164891650 721460968 /nfs/dbraw/zinc/46/09/68/721460968.db2.gz VEFHLVQGQLYBCZ-MHZLTWQESA-N 1 2 488.661 3.819 20 0 JHADLO Cc1nc(CN2CC[C@]3(CCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2=O)cs1 ZINC001164891650 721460971 /nfs/dbraw/zinc/46/09/71/721460971.db2.gz VEFHLVQGQLYBCZ-MHZLTWQESA-N 1 2 488.661 3.819 20 0 JHADLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914409 721793975 /nfs/dbraw/zinc/79/39/75/721793975.db2.gz NBLCTCKLSRQXDZ-RBISFHTESA-N 1 2 488.636 3.511 20 0 JHADLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914409 721793979 /nfs/dbraw/zinc/79/39/79/721793979.db2.gz NBLCTCKLSRQXDZ-RBISFHTESA-N 1 2 488.636 3.511 20 0 JHADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919046 721821711 /nfs/dbraw/zinc/82/17/11/721821711.db2.gz LHDBHGMYYUAMPT-UHFFFAOYSA-N 1 2 454.962 3.877 20 0 JHADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncn1 ZINC001164945637 721980299 /nfs/dbraw/zinc/98/02/99/721980299.db2.gz CGPKHGVWVUZJCP-UHFFFAOYSA-N 1 2 456.594 3.606 20 0 JHADLO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncn1 ZINC001164945637 721980300 /nfs/dbraw/zinc/98/03/00/721980300.db2.gz CGPKHGVWVUZJCP-UHFFFAOYSA-N 1 2 456.594 3.606 20 0 JHADLO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164975792 722091266 /nfs/dbraw/zinc/09/12/66/722091266.db2.gz QRFAPJWTVMHGDL-HSZRJFAPSA-N 1 2 459.638 3.948 20 0 JHADLO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164975792 722091267 /nfs/dbraw/zinc/09/12/67/722091267.db2.gz QRFAPJWTVMHGDL-HSZRJFAPSA-N 1 2 459.638 3.948 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008578 722273808 /nfs/dbraw/zinc/27/38/08/722273808.db2.gz LEBZDAQOIAWORV-KFACBJOOSA-N 1 2 498.631 3.833 20 0 JHADLO C[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008578 722273810 /nfs/dbraw/zinc/27/38/10/722273810.db2.gz LEBZDAQOIAWORV-KFACBJOOSA-N 1 2 498.631 3.833 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306632080 1069332830 /nfs/dbraw/zinc/33/28/30/1069332830.db2.gz JMEMUWYIICCSGD-ILBGXUMGSA-N 1 2 484.689 3.505 20 0 JHADLO CCC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001306633108 1069335046 /nfs/dbraw/zinc/33/50/46/1069335046.db2.gz QNJZUCXOXISBDV-XUZZJYLKSA-N 1 2 485.673 3.881 20 0 JHADLO Cc1ccoc1C(=O)NCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311371883 1069348470 /nfs/dbraw/zinc/34/84/70/1069348470.db2.gz DLJTVXKMDCRQJC-SFHVURJKSA-N 1 2 450.942 3.637 20 0 JHADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001311373422 1069349335 /nfs/dbraw/zinc/34/93/35/1069349335.db2.gz KMULULMITJVRKL-LPHOPBHVSA-N 1 2 454.974 3.878 20 0 JHADLO O=C(NCCCNc1cccc[nH+]1)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001311449184 1069384156 /nfs/dbraw/zinc/38/41/56/1069384156.db2.gz VPUGIOIWCKLWAD-NFBKMPQASA-N 1 2 450.514 3.773 20 0 JHADLO CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001306666612 1069394513 /nfs/dbraw/zinc/39/45/13/1069394513.db2.gz YEUDKUVJZLGBNH-ROUUACIJSA-N 1 2 471.606 3.836 20 0 JHADLO CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001306666612 1069394525 /nfs/dbraw/zinc/39/45/25/1069394525.db2.gz YEUDKUVJZLGBNH-ROUUACIJSA-N 1 2 471.606 3.836 20 0 JHADLO CCCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001306667931 1069395667 /nfs/dbraw/zinc/39/56/67/1069395667.db2.gz RBFSCLMIANUVLM-IBGZPJMESA-N 1 2 480.613 3.867 20 0 JHADLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001311491481 1069402893 /nfs/dbraw/zinc/40/28/93/1069402893.db2.gz YPYPOOLFDXKJDZ-HKUYNNGSSA-N 1 2 451.011 3.608 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001311594961 1069456259 /nfs/dbraw/zinc/45/62/59/1069456259.db2.gz SMUXSZGFNAOTBB-LOSJGSFVSA-N 1 2 454.590 3.678 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665421 1069494596 /nfs/dbraw/zinc/49/45/96/1069494596.db2.gz ILPDABOJVZAJCH-DHLKQENFSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665421 1069494600 /nfs/dbraw/zinc/49/46/00/1069494600.db2.gz ILPDABOJVZAJCH-DHLKQENFSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665427 1069494669 /nfs/dbraw/zinc/49/46/69/1069494669.db2.gz ILPDABOJVZAJCH-WIOPSUGQSA-N 1 2 458.002 3.539 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001311665427 1069494674 /nfs/dbraw/zinc/49/46/74/1069494674.db2.gz ILPDABOJVZAJCH-WIOPSUGQSA-N 1 2 458.002 3.539 20 0 JHADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001306735125 1069498956 /nfs/dbraw/zinc/49/89/56/1069498956.db2.gz WMRPVANGJICUEH-AZUAARDMSA-N 1 2 454.619 3.909 20 0 JHADLO Cc1cc(CN(CC(C)C)C(=O)NCCc2cn3c([nH+]2)CCCC3)nc(N2CCCCC2)n1 ZINC001311715240 1069516124 /nfs/dbraw/zinc/51/61/24/1069516124.db2.gz OVUAJZNEQLBZQL-UHFFFAOYSA-N 1 2 453.635 3.718 20 0 JHADLO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC001311893536 1069601241 /nfs/dbraw/zinc/60/12/41/1069601241.db2.gz BKIIYJNEXURRPM-KRWDZBQOSA-N 1 2 450.377 3.783 20 0 JHADLO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC001311893536 1069601247 /nfs/dbraw/zinc/60/12/47/1069601247.db2.gz BKIIYJNEXURRPM-KRWDZBQOSA-N 1 2 450.377 3.783 20 0 JHADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC001306887703 1069674552 /nfs/dbraw/zinc/67/45/52/1069674552.db2.gz ICXWILLXMKRJML-SFTDATJTSA-N 1 2 451.405 3.773 20 0 JHADLO Cc1ccc(N(C)[C@H]2CCCN(C(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)C2)cc1 ZINC001312045747 1069691205 /nfs/dbraw/zinc/69/12/05/1069691205.db2.gz JLFQCLBQXIEAJP-AHWVRZQESA-N 1 2 450.627 3.549 20 0 JHADLO CCCN(CCC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001307003862 1069698921 /nfs/dbraw/zinc/69/89/21/1069698921.db2.gz FDURAWZBGMOYTR-HSZRJFAPSA-N 1 2 451.619 3.687 20 0 JHADLO CCCN(CCC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001307009149 1069705716 /nfs/dbraw/zinc/70/57/16/1069705716.db2.gz POEVAGNBFRAXAG-UHFFFAOYSA-N 1 2 490.693 3.884 20 0 JHADLO CCOc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(C)(C)SC)cc1OC ZINC001314176916 1069709290 /nfs/dbraw/zinc/70/92/90/1069709290.db2.gz ODMNMHJQYXKCJK-UHFFFAOYSA-N 1 2 497.669 3.919 20 0 JHADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC001312076819 1069709725 /nfs/dbraw/zinc/70/97/25/1069709725.db2.gz JUXSMZJZYFJTLB-PMACEKPBSA-N 1 2 451.958 3.852 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001312097764 1069719902 /nfs/dbraw/zinc/71/99/02/1069719902.db2.gz TWRHQKNRLUHNQO-NRFANRHFSA-N 1 2 459.635 3.666 20 0 JHADLO CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001307025283 1069732530 /nfs/dbraw/zinc/73/25/30/1069732530.db2.gz LMCRFQQDPFJDMD-UHFFFAOYSA-N 1 2 457.376 3.848 20 0 JHADLO CCOc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001314186333 1069739400 /nfs/dbraw/zinc/73/94/00/1069739400.db2.gz PWZGGUGDWWSXQP-IBGZPJMESA-N 1 2 455.628 3.686 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001312427654 1069930812 /nfs/dbraw/zinc/93/08/12/1069930812.db2.gz YHCVEKALRIGOJN-GGAORHGYSA-N 1 2 453.974 3.943 20 0 JHADLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001312427654 1069930822 /nfs/dbraw/zinc/93/08/22/1069930822.db2.gz YHCVEKALRIGOJN-GGAORHGYSA-N 1 2 453.974 3.943 20 0 JHADLO CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCO[C@](C)(C(C)(C)C)C2)([NH+]2CCOCC2)C1 ZINC001314238671 1069938062 /nfs/dbraw/zinc/93/80/62/1069938062.db2.gz ANBHVFBPXOQKFW-ZNSCKTKLSA-N 1 2 477.694 3.703 20 0 JHADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H]3[C@H](O)c3ccccc3)[nH+]c12 ZINC001312474214 1069958949 /nfs/dbraw/zinc/95/89/49/1069958949.db2.gz ARWPSVBZUKDBBB-VQTJNVASSA-N 1 2 457.372 3.855 20 0 JHADLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001307429538 1069981630 /nfs/dbraw/zinc/98/16/30/1069981630.db2.gz OHEVYJDCJYFMHR-UHFFFAOYSA-N 1 2 458.002 3.731 20 0 JHADLO CCCOCc1ccccc1CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001307429538 1069981641 /nfs/dbraw/zinc/98/16/41/1069981641.db2.gz OHEVYJDCJYFMHR-UHFFFAOYSA-N 1 2 458.002 3.731 20 0 JHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001307451126 1069991126 /nfs/dbraw/zinc/99/11/26/1069991126.db2.gz ROQQICKGLMEEDM-XXBNENTESA-N 1 2 453.583 3.650 20 0 JHADLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001307451126 1069991141 /nfs/dbraw/zinc/99/11/41/1069991141.db2.gz ROQQICKGLMEEDM-XXBNENTESA-N 1 2 453.583 3.650 20 0 JHADLO COc1cc(NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(OC)cc1Cl ZINC001307464770 1070000870 /nfs/dbraw/zinc/00/08/70/1070000870.db2.gz JNRDTOQZCGRPDY-CQSZACIVSA-N 1 2 455.983 3.921 20 0 JHADLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCN2CCN(c3ccccc3)CC2)ccc1Br ZINC001307488210 1070014123 /nfs/dbraw/zinc/01/41/23/1070014123.db2.gz FHHQHNURXDJVBA-IBGZPJMESA-N 1 2 459.432 3.839 20 0 JHADLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCN2CCN(c3ccccc3)CC2)ccc1Br ZINC001307488210 1070014139 /nfs/dbraw/zinc/01/41/39/1070014139.db2.gz FHHQHNURXDJVBA-IBGZPJMESA-N 1 2 459.432 3.839 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001307512997 1070027984 /nfs/dbraw/zinc/02/79/84/1070027984.db2.gz HXTZIPVERNWKMS-NIYFSFCBSA-N 1 2 453.583 3.952 20 0 JHADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001307512997 1070028003 /nfs/dbraw/zinc/02/80/03/1070028003.db2.gz HXTZIPVERNWKMS-NIYFSFCBSA-N 1 2 453.583 3.952 20 0 JHADLO O=C(NCC[C@@H]1C[C@H]1C1CC1)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001312584667 1070029337 /nfs/dbraw/zinc/02/93/37/1070029337.db2.gz AAJSFNQLOFTPLQ-HOJAQTOUSA-N 1 2 467.395 3.991 20 0 JHADLO O=C(NCC[C@@H]1C[C@H]1C1CC1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001312584667 1070029348 /nfs/dbraw/zinc/02/93/48/1070029348.db2.gz AAJSFNQLOFTPLQ-HOJAQTOUSA-N 1 2 467.395 3.991 20 0 JHADLO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(CCC(=O)OC)CC1)C[C@H](C)CC2 ZINC001307517227 1070029683 /nfs/dbraw/zinc/02/96/83/1070029683.db2.gz QIQMNDKXJCNQQT-OAHLLOKOSA-N 1 2 450.601 3.653 20 0 JHADLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC001307540062 1070041934 /nfs/dbraw/zinc/04/19/34/1070041934.db2.gz REVHLNFDQSOKER-UHFFFAOYSA-N 1 2 459.546 3.782 20 0 JHADLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC001307540062 1070041943 /nfs/dbraw/zinc/04/19/43/1070041943.db2.gz REVHLNFDQSOKER-UHFFFAOYSA-N 1 2 459.546 3.782 20 0 JHADLO CCOC1CC(CNC(=O)N2CCC[C@@]2(C)Cc2cccc(Cl)c2)([NH+]2CCOCC2)C1 ZINC001312617775 1070046865 /nfs/dbraw/zinc/04/68/65/1070046865.db2.gz GBLAYBJXXSWWIN-RZMWZJFBSA-N 1 2 450.023 3.717 20 0 JHADLO Cc1ccc(-c2cc(NC(=O)C[NH2+][C@@](C)(C(N)=O)c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001307559403 1070053040 /nfs/dbraw/zinc/05/30/40/1070053040.db2.gz ZERHQAFCQAQAFR-HHHXNRCGSA-N 1 2 453.546 3.777 20 0 JHADLO CC(C)[C@H]1C[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC001312723632 1070094322 /nfs/dbraw/zinc/09/43/22/1070094322.db2.gz CPGAIQDPUADHGG-FUHWJXTLSA-N 1 2 453.381 3.902 20 0 JHADLO O=C(NCCOc1ccc(F)c(Cl)c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001312726084 1070095256 /nfs/dbraw/zinc/09/52/56/1070095256.db2.gz ODZNLGRORMSPGH-UHFFFAOYSA-N 1 2 456.345 3.918 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccsc2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314307677 1070095524 /nfs/dbraw/zinc/09/55/24/1070095524.db2.gz SBUANMGYAUJRPW-JOCHJYFZSA-N 1 2 455.628 3.894 20 0 JHADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC001307648298 1070100947 /nfs/dbraw/zinc/10/09/47/1070100947.db2.gz ZVPLMWYLGYXDBB-UHFFFAOYSA-N 1 2 456.612 3.638 20 0 JHADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC001307648298 1070100953 /nfs/dbraw/zinc/10/09/53/1070100953.db2.gz ZVPLMWYLGYXDBB-UHFFFAOYSA-N 1 2 456.612 3.638 20 0 JHADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312753876 1070104410 /nfs/dbraw/zinc/10/44/10/1070104410.db2.gz QKPCHRGVZPMSOS-GDBMZVCRSA-N 1 2 456.812 3.639 20 0 JHADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307655602 1070105276 /nfs/dbraw/zinc/10/52/76/1070105276.db2.gz YRDAMRWTWINRFV-NRFANRHFSA-N 1 2 451.567 3.609 20 0 JHADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307655602 1070105280 /nfs/dbraw/zinc/10/52/80/1070105280.db2.gz YRDAMRWTWINRFV-NRFANRHFSA-N 1 2 451.567 3.609 20 0 JHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001307673605 1070116874 /nfs/dbraw/zinc/11/68/74/1070116874.db2.gz AUTUVFTYKPKHBL-FQEVSTJZSA-N 1 2 451.583 3.774 20 0 JHADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001307673605 1070116881 /nfs/dbraw/zinc/11/68/81/1070116881.db2.gz AUTUVFTYKPKHBL-FQEVSTJZSA-N 1 2 451.583 3.774 20 0 JHADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1F ZINC001307686380 1070125589 /nfs/dbraw/zinc/12/55/89/1070125589.db2.gz KPSUQFGVEUNNBI-YLJYHZDGSA-N 1 2 451.583 3.759 20 0 JHADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1F ZINC001307686380 1070125594 /nfs/dbraw/zinc/12/55/94/1070125594.db2.gz KPSUQFGVEUNNBI-YLJYHZDGSA-N 1 2 451.583 3.759 20 0 JHADLO O=C(NC1CCN(CC(F)(F)F)CC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312815370 1070138641 /nfs/dbraw/zinc/13/86/41/1070138641.db2.gz LETNIPNRYLYDMQ-UHFFFAOYSA-N 1 2 452.443 3.559 20 0 JHADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)c(Cl)c1 ZINC001307726720 1070151200 /nfs/dbraw/zinc/15/12/00/1070151200.db2.gz ILPABNFOABVHCU-INIZCTEOSA-N 1 2 450.004 3.813 20 0 JHADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)c(Cl)c1 ZINC001307726720 1070151209 /nfs/dbraw/zinc/15/12/09/1070151209.db2.gz ILPABNFOABVHCU-INIZCTEOSA-N 1 2 450.004 3.813 20 0 JHADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@H](COC)c3ccc(Cl)cc3)nc2c1 ZINC001307727387 1070152125 /nfs/dbraw/zinc/15/21/25/1070152125.db2.gz TWTKDVGZUXSYPN-HXUWFJFHSA-N 1 2 450.992 3.724 20 0 JHADLO COC(=O)c1cccc(C[NH+]2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c1 ZINC001307787715 1070182071 /nfs/dbraw/zinc/18/20/71/1070182071.db2.gz ABDGQCWZCVFFAC-SANMLTNESA-N 1 2 457.574 3.649 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC=C(c3cn(C(C)C)nn3)CC1)CCCC2 ZINC001307794026 1070184498 /nfs/dbraw/zinc/18/44/98/1070184498.db2.gz SFIUMNZHXLEEPC-UHFFFAOYSA-N 1 2 457.600 3.704 20 0 JHADLO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC=C(c3cn(C(C)C)nn3)CC1)CCCC2 ZINC001307794026 1070184511 /nfs/dbraw/zinc/18/45/11/1070184511.db2.gz SFIUMNZHXLEEPC-UHFFFAOYSA-N 1 2 457.600 3.704 20 0 JHADLO COC(=O)c1sc2[nH]c(C[N@H+](C)CCc3cccc(Br)c3)nc(=O)c2c1C ZINC001307801171 1070187849 /nfs/dbraw/zinc/18/78/49/1070187849.db2.gz LNHCMDOETIWKPU-UHFFFAOYSA-N 1 2 450.358 3.517 20 0 JHADLO COC(=O)c1sc2[nH]c(C[N@@H+](C)CCc3cccc(Br)c3)nc(=O)c2c1C ZINC001307801171 1070187859 /nfs/dbraw/zinc/18/78/59/1070187859.db2.gz LNHCMDOETIWKPU-UHFFFAOYSA-N 1 2 450.358 3.517 20 0 JHADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001307816324 1070197047 /nfs/dbraw/zinc/19/70/47/1070197047.db2.gz NACAGLUMTFWYOU-LJQANCHMSA-N 1 2 456.587 3.664 20 0 JHADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001307816324 1070197049 /nfs/dbraw/zinc/19/70/49/1070197049.db2.gz NACAGLUMTFWYOU-LJQANCHMSA-N 1 2 456.587 3.664 20 0 JHADLO CCOc1ccc(-c2nc(CN3CC[NH+]([C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)co2)cc1 ZINC001307816905 1070197701 /nfs/dbraw/zinc/19/77/01/1070197701.db2.gz HYOMGEQUQSARNL-NRFANRHFSA-N 1 2 456.587 3.867 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885073 1070225096 /nfs/dbraw/zinc/22/50/96/1070225096.db2.gz FYMFZPMXSVPGBG-SQNIBIBYSA-N 1 2 452.983 3.600 20 0 JHADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cn2)C1 ZINC001307885073 1070225112 /nfs/dbraw/zinc/22/51/12/1070225112.db2.gz FYMFZPMXSVPGBG-SQNIBIBYSA-N 1 2 452.983 3.600 20 0 JHADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC001307914762 1070237716 /nfs/dbraw/zinc/23/77/16/1070237716.db2.gz PPCKEPOKVXJNKA-UHFFFAOYSA-N 1 2 453.564 3.923 20 0 JHADLO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001307920910 1070243558 /nfs/dbraw/zinc/24/35/58/1070243558.db2.gz OXCBRYROHDJTDN-UXPWSPDFSA-N 1 2 471.539 3.947 20 0 JHADLO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC001307920910 1070243572 /nfs/dbraw/zinc/24/35/72/1070243572.db2.gz OXCBRYROHDJTDN-UXPWSPDFSA-N 1 2 471.539 3.947 20 0 JHADLO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001313092712 1070248246 /nfs/dbraw/zinc/24/82/46/1070248246.db2.gz BJBNHDQQLHXSEP-HSZRJFAPSA-N 1 2 454.640 3.877 20 0 JHADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314397177 1070256238 /nfs/dbraw/zinc/25/62/38/1070256238.db2.gz PVWVTPQTPLJAHS-UHFFFAOYSA-N 1 2 496.559 3.691 20 0 JHADLO COc1cccc([C@@H](O)C2CC[NH+](CC(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)c1 ZINC001307978014 1070267134 /nfs/dbraw/zinc/26/71/34/1070267134.db2.gz LGSDYHDMXYHZGX-RPWUZVMVSA-N 1 2 451.592 3.803 20 0 JHADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)C2)c1 ZINC001313164280 1070275135 /nfs/dbraw/zinc/27/51/35/1070275135.db2.gz OKKNTQYBVVMPIA-JWQCQUIFSA-N 1 2 455.574 3.726 20 0 JHADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)C2)c1 ZINC001313164280 1070275148 /nfs/dbraw/zinc/27/51/48/1070275148.db2.gz OKKNTQYBVVMPIA-JWQCQUIFSA-N 1 2 455.574 3.726 20 0 JHADLO C[N@@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313168114 1070277284 /nfs/dbraw/zinc/27/72/84/1070277284.db2.gz MWFBPODDZTYIQS-IBGZPJMESA-N 1 2 451.011 3.612 20 0 JHADLO C[N@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313168114 1070277298 /nfs/dbraw/zinc/27/72/98/1070277298.db2.gz MWFBPODDZTYIQS-IBGZPJMESA-N 1 2 451.011 3.612 20 0 JHADLO COc1ccc([C@@H]2C[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308014422 1070280662 /nfs/dbraw/zinc/28/06/62/1070280662.db2.gz QRUQDUVSQIQKCN-WPYKKVEZSA-N 1 2 469.557 3.932 20 0 JHADLO COc1ccc([C@@H]2C[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308014422 1070280674 /nfs/dbraw/zinc/28/06/74/1070280674.db2.gz QRUQDUVSQIQKCN-WPYKKVEZSA-N 1 2 469.557 3.932 20 0 JHADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H](C)C(=O)Nc1ccc(Br)cc1Br)CC2 ZINC001308056826 1070295657 /nfs/dbraw/zinc/29/56/57/1070295657.db2.gz PIINRGJHJXAUKE-MZKGEVEHSA-N 1 2 474.193 3.956 20 0 JHADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C)C(=O)Nc1ccc(Br)cc1Br)CC2 ZINC001308056826 1070295670 /nfs/dbraw/zinc/29/56/70/1070295670.db2.gz PIINRGJHJXAUKE-MZKGEVEHSA-N 1 2 474.193 3.956 20 0 JHADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(C(C)(C)C)s3)C2)CC1 ZINC001313247991 1070304727 /nfs/dbraw/zinc/30/47/27/1070304727.db2.gz YMTCDTVCTURMNP-QGZVFWFLSA-N 1 2 450.649 3.882 20 0 JHADLO CSCC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001313279454 1070313925 /nfs/dbraw/zinc/31/39/25/1070313925.db2.gz HUQJCTTVHZEQAV-UHFFFAOYSA-N 1 2 450.649 3.680 20 0 JHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001308174234 1070336312 /nfs/dbraw/zinc/33/63/12/1070336312.db2.gz SNBUMJHRDPJUCW-BIHRQFPBSA-N 1 2 456.608 3.821 20 0 JHADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001308174234 1070336324 /nfs/dbraw/zinc/33/63/24/1070336324.db2.gz SNBUMJHRDPJUCW-BIHRQFPBSA-N 1 2 456.608 3.821 20 0 JHADLO COc1nsc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1Br ZINC001308373937 1070363873 /nfs/dbraw/zinc/36/38/73/1070363873.db2.gz DRLVPEWHHYKTNY-SNVBAGLBSA-N 1 2 450.280 3.828 20 0 JHADLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ncc(C4OCCO4)s3)C2=O)ccc1Br ZINC001308363037 1070361813 /nfs/dbraw/zinc/36/18/13/1070361813.db2.gz IBPDPEVOGKVTAF-OAHLLOKOSA-N 1 2 452.374 3.545 20 0 JHADLO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308400478 1070370185 /nfs/dbraw/zinc/37/01/85/1070370185.db2.gz AZZKNLNUFMSGEQ-JOCHJYFZSA-N 1 2 458.603 3.738 20 0 JHADLO CCOCCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001314473505 1070384481 /nfs/dbraw/zinc/38/44/81/1070384481.db2.gz AUQWMGDFMYTWFJ-MRXNPFEDSA-N 1 2 476.423 3.981 20 0 JHADLO CCOC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2SCCS(C)(=O)=O)C1 ZINC001308625646 1070404899 /nfs/dbraw/zinc/40/48/99/1070404899.db2.gz VWOLUNXFUHJVEW-HNNXBMFYSA-N 1 2 450.464 3.834 20 0 JHADLO CCOC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2SCCS(C)(=O)=O)C1 ZINC001308625646 1070404903 /nfs/dbraw/zinc/40/49/03/1070404903.db2.gz VWOLUNXFUHJVEW-HNNXBMFYSA-N 1 2 450.464 3.834 20 0 JHADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001308651258 1070411012 /nfs/dbraw/zinc/41/10/12/1070411012.db2.gz ZWDRAQUZFXQEBL-KRWDZBQOSA-N 1 2 454.423 3.826 20 0 JHADLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)n(C)c1C ZINC001308692942 1070420268 /nfs/dbraw/zinc/42/02/68/1070420268.db2.gz RPANMMVCXJLJDM-UHFFFAOYSA-N 1 2 453.377 3.664 20 0 JHADLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)n(C)c1C ZINC001308692942 1070420273 /nfs/dbraw/zinc/42/02/73/1070420273.db2.gz RPANMMVCXJLJDM-UHFFFAOYSA-N 1 2 453.377 3.664 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC001308913098 1070458270 /nfs/dbraw/zinc/45/82/70/1070458270.db2.gz KMLDHWFCCQTSOK-ZNMIVQPWSA-N 1 2 461.506 3.781 20 0 JHADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC001308913098 1070458277 /nfs/dbraw/zinc/45/82/77/1070458277.db2.gz KMLDHWFCCQTSOK-ZNMIVQPWSA-N 1 2 461.506 3.781 20 0 JHADLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308964994 1070467639 /nfs/dbraw/zinc/46/76/39/1070467639.db2.gz AODIECZBDHBNIE-MAUKXSAKSA-N 1 2 455.393 3.770 20 0 JHADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001309128313 1070553881 /nfs/dbraw/zinc/55/38/81/1070553881.db2.gz BWYIKSUOWFTKDR-HUUCEWRRSA-N 1 2 459.033 3.540 20 0 JHADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001309128313 1070553892 /nfs/dbraw/zinc/55/38/92/1070553892.db2.gz BWYIKSUOWFTKDR-HUUCEWRRSA-N 1 2 459.033 3.540 20 0 JHADLO CCCOc1cccc(CCn2c(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313514874 1070572722 /nfs/dbraw/zinc/57/27/22/1070572722.db2.gz GAWCFYYFOOVJMO-JOCHJYFZSA-N 1 2 496.700 3.740 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001313527306 1070603849 /nfs/dbraw/zinc/60/38/49/1070603849.db2.gz UTLMAMJJWWHVIB-UXHICEINSA-N 1 2 470.666 3.862 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001313527306 1070603855 /nfs/dbraw/zinc/60/38/55/1070603855.db2.gz UTLMAMJJWWHVIB-UXHICEINSA-N 1 2 470.666 3.862 20 0 JHADLO CCCO[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001313526702 1070602092 /nfs/dbraw/zinc/60/20/92/1070602092.db2.gz LPLTZJUISBFHOX-UNMCSNQZSA-N 1 2 456.635 3.855 20 0 JHADLO CCN(C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC001309214732 1070613709 /nfs/dbraw/zinc/61/37/09/1070613709.db2.gz XGDGHIRTYLJGPV-OAQYLSRUSA-N 1 2 452.665 3.734 20 0 JHADLO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001313545936 1070652858 /nfs/dbraw/zinc/65/28/58/1070652858.db2.gz MZHABKMUOGZOOT-HXUWFJFHSA-N 1 2 489.665 3.741 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001314607307 1070666937 /nfs/dbraw/zinc/66/69/37/1070666937.db2.gz LHPIAEFWTDYZPP-ZJSXRUAMSA-N 1 2 487.714 3.905 20 0 JHADLO CCS[C@@H]1CCCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001314607307 1070666940 /nfs/dbraw/zinc/66/69/40/1070666940.db2.gz LHPIAEFWTDYZPP-ZJSXRUAMSA-N 1 2 487.714 3.905 20 0 JHADLO CCSCC[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001314606534 1070664588 /nfs/dbraw/zinc/66/45/88/1070664588.db2.gz NPHDOHGEVIOLPM-SFHVURJKSA-N 1 2 455.632 3.521 20 0 JHADLO C[NH+](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1)c1ccco1 ZINC001314649111 1070754338 /nfs/dbraw/zinc/75/43/38/1070754338.db2.gz RWDVWNMPGVDPPN-LJQANCHMSA-N 1 2 489.667 3.576 20 0 JHADLO C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCSC(C)(C)C1)c1c(F)cccc1F ZINC001314649838 1070757494 /nfs/dbraw/zinc/75/74/94/1070757494.db2.gz DVFUINFJRVJVDE-QAPCUYQASA-N 1 2 451.587 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)c1c(F)cccc1F ZINC001314650349 1070758910 /nfs/dbraw/zinc/75/89/10/1070758910.db2.gz HTCRMAQGODXIEP-XUVXKRRUSA-N 1 2 474.600 3.695 20 0 JHADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001314650884 1070760224 /nfs/dbraw/zinc/76/02/24/1070760224.db2.gz MJMNLOAFBALZPP-NSISKUIASA-N 1 2 463.573 3.614 20 0 JHADLO CN(C)c1ccc(Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001314659606 1070782420 /nfs/dbraw/zinc/78/24/20/1070782420.db2.gz ZHRUVNLQTFCROW-UHFFFAOYSA-N 1 2 491.640 3.630 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(c3ccc(F)cc3)C2)c[nH+]1 ZINC001314661868 1070787646 /nfs/dbraw/zinc/78/76/46/1070787646.db2.gz TWUDITRWTIOJCO-RUZDIDTESA-N 1 2 452.578 3.613 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001313648368 1070816367 /nfs/dbraw/zinc/81/63/67/1070816367.db2.gz YTRGDBNVKHBJQF-LJQANCHMSA-N 1 2 490.599 3.583 20 0 JHADLO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001313654722 1070840490 /nfs/dbraw/zinc/84/04/90/1070840490.db2.gz OAHIPAUJIDSJIQ-UHFFFAOYSA-N 1 2 491.640 3.874 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)C ZINC001314712417 1070897132 /nfs/dbraw/zinc/89/71/32/1070897132.db2.gz LRDWSOHVIBCBQD-RBUKOAKNSA-N 1 2 474.675 3.627 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](Cn3nc(C)nc3C)C2)c[nH+]1 ZINC001313672148 1070902777 /nfs/dbraw/zinc/90/27/77/1070902777.db2.gz CCBACRCJTFFEHV-JOCHJYFZSA-N 1 2 465.650 3.816 20 0 JHADLO CN(CC(F)(F)F)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+]2CCOCC2)CC1 ZINC001314718800 1070910884 /nfs/dbraw/zinc/91/08/84/1070910884.db2.gz IJWBAAPFTJIWSO-UHFFFAOYSA-N 1 2 492.315 3.710 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC001313676728 1070922925 /nfs/dbraw/zinc/92/29/25/1070922925.db2.gz CYIUZQFYAITNEI-FQEVSTJZSA-N 1 2 494.644 3.677 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c[nH+]1 ZINC001313677217 1070924612 /nfs/dbraw/zinc/92/46/12/1070924612.db2.gz LTROFSXMSKEIJB-UHFFFAOYSA-N 1 2 487.534 3.951 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001313678104 1070928532 /nfs/dbraw/zinc/92/85/32/1070928532.db2.gz CTNDWLSFDKWOCD-XLIONFOSSA-N 1 2 489.546 3.709 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(N(C)C(C)=O)CC2)c[nH+]1 ZINC001313677742 1070926808 /nfs/dbraw/zinc/92/68/08/1070926808.db2.gz XGDHPCVWHUUKFG-UHFFFAOYSA-N 1 2 497.047 3.730 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCOC(C)(C)C2)c[nH+]1 ZINC001313677786 1070926970 /nfs/dbraw/zinc/92/69/70/1070926970.db2.gz YRWPWOHLVWTZQG-UHFFFAOYSA-N 1 2 480.613 3.867 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3CCN(C(=O)c4ccsc4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001313678837 1070932477 /nfs/dbraw/zinc/93/24/77/1070932477.db2.gz LPKNEUKXOQMZBQ-UHFFFAOYSA-N 1 2 481.670 3.889 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(OC)C2)c[nH+]1 ZINC001313680438 1070939087 /nfs/dbraw/zinc/93/90/87/1070939087.db2.gz ZGBJZIXKLQDDNX-VWLOTQADSA-N 1 2 497.669 3.564 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)c[nH+]1 ZINC001313680870 1070939684 /nfs/dbraw/zinc/93/96/84/1070939684.db2.gz XMBLYFDHTSJSCR-UHFFFAOYSA-N 1 2 480.567 3.807 20 0 JHADLO CCN(CC)c1ccc(Cn2c(N3C[C@@H](C)OC4(CCOCC4)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001313679251 1070934526 /nfs/dbraw/zinc/93/45/26/1070934526.db2.gz PKYUOILUIHGMCW-LJQANCHMSA-N 1 2 456.635 3.639 20 0 JHADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)c1ccccc1 ZINC001309709253 1070934619 /nfs/dbraw/zinc/93/46/19/1070934619.db2.gz ABKLQJQFQQEWOH-GOSISDBHSA-N 1 2 452.349 3.725 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)c2ccc(C)cc2)c[nH+]1 ZINC001313679363 1070934900 /nfs/dbraw/zinc/93/49/00/1070934900.db2.gz JFALWXVLJFRCQS-FQEVSTJZSA-N 1 2 468.627 3.546 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@]3(CCO[C@@H]3C)C2)c[nH+]1 ZINC001313679989 1070936988 /nfs/dbraw/zinc/93/69/88/1070936988.db2.gz QHYFDQXOIIYUGM-KBMIEXCESA-N 1 2 456.635 3.540 20 0 JHADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001309746492 1070950999 /nfs/dbraw/zinc/95/09/99/1070950999.db2.gz IVPTXLRWHCSRPF-FGZHOGPDSA-N 1 2 457.640 3.606 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C1(COCc2ccccc2)CC1 ZINC001309848993 1070995136 /nfs/dbraw/zinc/99/51/36/1070995136.db2.gz DFPBIMCCLIOWKU-NHCUHLMSSA-N 1 2 468.541 3.718 20 0 JHADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C1(COCc2ccccc2)CC1 ZINC001309848993 1070995144 /nfs/dbraw/zinc/99/51/44/1070995144.db2.gz DFPBIMCCLIOWKU-NHCUHLMSSA-N 1 2 468.541 3.718 20 0 JHADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC001309959660 1071029089 /nfs/dbraw/zinc/02/90/89/1071029089.db2.gz KYVYSQABUOPQQU-CQSZACIVSA-N 1 2 458.506 3.707 20 0 JHADLO CN(Cc1ccsc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001314768189 1071030393 /nfs/dbraw/zinc/03/03/93/1071030393.db2.gz NQUKBVSCWRHJMR-MSOLQXFVSA-N 1 2 460.554 3.508 20 0 JHADLO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001309988423 1071040807 /nfs/dbraw/zinc/04/08/07/1071040807.db2.gz JBSCPQILJDLYHM-UHFFFAOYSA-N 1 2 451.575 3.651 20 0 JHADLO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001309998510 1071047403 /nfs/dbraw/zinc/04/74/03/1071047403.db2.gz UPTAVQYGXVMOND-KRWDZBQOSA-N 1 2 450.630 3.737 20 0 JHADLO CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001313736653 1071058498 /nfs/dbraw/zinc/05/84/98/1071058498.db2.gz PJEKXESXTAPHCU-UHFFFAOYSA-N 1 2 464.614 3.891 20 0 JHADLO COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001310009483 1071055298 /nfs/dbraw/zinc/05/52/98/1071055298.db2.gz AROSQPYFSFVVTJ-NRFANRHFSA-N 1 2 450.583 3.569 20 0 JHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCN(C(=O)c4ccccc4F)CC3)n2)C1 ZINC001310035433 1071074699 /nfs/dbraw/zinc/07/46/99/1071074699.db2.gz ZPXXPZMCURHNNB-MRXNPFEDSA-N 1 2 459.591 3.940 20 0 JHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCN(C(=O)c4ccccc4F)CC3)n2)C1 ZINC001310035433 1071074711 /nfs/dbraw/zinc/07/47/11/1071074711.db2.gz ZPXXPZMCURHNNB-MRXNPFEDSA-N 1 2 459.591 3.940 20 0 JHADLO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c[nH+]ccc1OC ZINC001313764342 1071111699 /nfs/dbraw/zinc/11/16/99/1071111699.db2.gz NSYWRQPMGOHJPJ-IZAXUBKRSA-N 1 2 456.591 3.737 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1CCC(=O)N1CCCCC1 ZINC001313778876 1071140322 /nfs/dbraw/zinc/14/03/22/1071140322.db2.gz LAQSDNPTJQBYTM-UHFFFAOYSA-N 1 2 467.662 3.942 20 0 JHADLO O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310181016 1071186583 /nfs/dbraw/zinc/18/65/83/1071186583.db2.gz SSGURWCWIPFLDI-GOSISDBHSA-N 1 2 456.493 3.901 20 0 JHADLO CCOC1CC(CNC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)([NH+]2CCOCC2)C1 ZINC001310205679 1071206396 /nfs/dbraw/zinc/20/63/96/1071206396.db2.gz GDUBQMJJEAFILR-UHFFFAOYSA-N 1 2 451.011 3.722 20 0 JHADLO CS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001310206565 1071207013 /nfs/dbraw/zinc/20/70/13/1071207013.db2.gz VJMILQAASSXYJU-LJQANCHMSA-N 1 2 453.967 3.810 20 0 JHADLO CS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001310206565 1071207020 /nfs/dbraw/zinc/20/70/20/1071207020.db2.gz VJMILQAASSXYJU-LJQANCHMSA-N 1 2 453.967 3.810 20 0 JHADLO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313807348 1071228131 /nfs/dbraw/zinc/22/81/31/1071228131.db2.gz KYFXKCISBJALDJ-GOSISDBHSA-N 1 2 487.592 3.541 20 0 JHADLO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001313807348 1071228138 /nfs/dbraw/zinc/22/81/38/1071228138.db2.gz KYFXKCISBJALDJ-GOSISDBHSA-N 1 2 487.592 3.541 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)cc1Cl ZINC001314869928 1071280217 /nfs/dbraw/zinc/28/02/17/1071280217.db2.gz JATGBQRKDXSBHB-UHFFFAOYSA-N 1 2 479.387 3.797 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 ZINC001314869776 1071279454 /nfs/dbraw/zinc/27/94/54/1071279454.db2.gz GPHRHZNKPVYFRG-INIZCTEOSA-N 1 2 471.499 3.750 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC=CO1 ZINC001314870392 1071281030 /nfs/dbraw/zinc/28/10/30/1071281030.db2.gz QVPKOWQLLGSEKK-QGZVFWFLSA-N 1 2 452.386 3.713 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001314870690 1071281857 /nfs/dbraw/zinc/28/18/57/1071281857.db2.gz GVQONYNCBUMGMY-FQEVSTJZSA-N 1 2 480.510 3.673 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccncc1 ZINC001314870916 1071282731 /nfs/dbraw/zinc/28/27/31/1071282731.db2.gz WRXIEQXJKQFZGU-UHFFFAOYSA-N 1 2 461.397 3.658 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nccs1 ZINC001314870963 1071282819 /nfs/dbraw/zinc/28/28/19/1071282819.db2.gz YICWUPCZAPPMJW-UHFFFAOYSA-N 1 2 454.644 3.710 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 ZINC001314871972 1071284917 /nfs/dbraw/zinc/28/49/17/1071284917.db2.gz RZUOYKJNFJQVOT-UHFFFAOYSA-N 1 2 494.434 3.919 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001314873481 1071290685 /nfs/dbraw/zinc/29/06/85/1071290685.db2.gz FSZDEEDDUKXTOQ-UHFFFAOYSA-N 1 2 467.536 3.726 20 0 JHADLO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001313835132 1071313136 /nfs/dbraw/zinc/31/31/36/1071313136.db2.gz NAGJPVSKEVERGO-GOSISDBHSA-N 1 2 478.576 3.919 20 0 JHADLO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3cccc[nH+]3)CCO2)cn1 ZINC001313836026 1071315244 /nfs/dbraw/zinc/31/52/44/1071315244.db2.gz SJHWMNJRHQPGAX-FQEVSTJZSA-N 1 2 452.607 3.558 20 0 JHADLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366403 1071343305 /nfs/dbraw/zinc/34/33/05/1071343305.db2.gz NNDTXSDOSAPXSS-SFTDATJTSA-N 1 2 458.946 3.798 20 0 JHADLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366403 1071343318 /nfs/dbraw/zinc/34/33/18/1071343318.db2.gz NNDTXSDOSAPXSS-SFTDATJTSA-N 1 2 458.946 3.798 20 0 JHADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@@H](C)C1 ZINC001310434291 1071388203 /nfs/dbraw/zinc/38/82/03/1071388203.db2.gz YQDJOHOCDRNKLC-INIZCTEOSA-N 1 2 452.477 3.548 20 0 JHADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@@H](C)C1 ZINC001310434291 1071388214 /nfs/dbraw/zinc/38/82/14/1071388214.db2.gz YQDJOHOCDRNKLC-INIZCTEOSA-N 1 2 452.477 3.548 20 0 JHADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@@H](C)CO1 ZINC001310466543 1071408743 /nfs/dbraw/zinc/40/87/43/1071408743.db2.gz MTLSCXVFQRJVHO-UONOGXRCSA-N 1 2 453.406 3.727 20 0 JHADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2nc(Cc3ccccc3Br)cs2)[C@@H](C)CO1 ZINC001310466543 1071408749 /nfs/dbraw/zinc/40/87/49/1071408749.db2.gz MTLSCXVFQRJVHO-UONOGXRCSA-N 1 2 453.406 3.727 20 0 JHADLO CCOCC[NH+]1CCN(C(=O)Nc2nc(Cc3ccccc3Br)cs2)CC1 ZINC001310467061 1071409598 /nfs/dbraw/zinc/40/95/98/1071409598.db2.gz VVKBIGYFWWAQMZ-UHFFFAOYSA-N 1 2 453.406 3.682 20 0 JHADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CC3CCCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001314973460 1071462117 /nfs/dbraw/zinc/46/21/17/1071462117.db2.gz YRRCPWGRWZATGV-NLFFAJNJSA-N 1 2 474.600 3.554 20 0 JHADLO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1cccc(C)[nH+]1 ZINC001315033818 1071565432 /nfs/dbraw/zinc/56/54/32/1071565432.db2.gz NOWJUCVEVHMQKM-UHFFFAOYSA-N 1 2 456.978 3.516 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926518 1071577022 /nfs/dbraw/zinc/57/70/22/1071577022.db2.gz DDPBSYNOBJTOPW-WNCULLNHSA-N 1 2 484.689 3.587 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929375 1071586828 /nfs/dbraw/zinc/58/68/28/1071586828.db2.gz ZEXONPNXEGXBGZ-QFIPXVFZSA-N 1 2 484.689 3.764 20 0 JHADLO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313950624 1071639410 /nfs/dbraw/zinc/63/94/10/1071639410.db2.gz AXGVNUYDHPTOBU-NRFANRHFSA-N 1 2 496.700 3.654 20 0 JHADLO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314098418 1071979431 /nfs/dbraw/zinc/97/94/31/1071979431.db2.gz IVFIVIRGYUYROX-VWLOTQADSA-N 1 2 457.619 3.660 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305976204 1068315082 /nfs/dbraw/zinc/31/50/82/1068315082.db2.gz SXQGLTRZRYEWEP-NRFANRHFSA-N 1 2 493.656 3.853 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)OC2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305979721 1068322958 /nfs/dbraw/zinc/32/29/58/1068322958.db2.gz YNTGGAIKTATSOV-UHFFFAOYSA-N 1 2 457.619 3.841 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)OC2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305979721 1068322979 /nfs/dbraw/zinc/32/29/79/1068322979.db2.gz YNTGGAIKTATSOV-UHFFFAOYSA-N 1 2 457.619 3.841 20 0 JHADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)s1 ZINC001306002292 1068375009 /nfs/dbraw/zinc/37/50/09/1068375009.db2.gz ITDOUFKKXVSVIL-RDJZCZTQSA-N 1 2 455.632 3.780 20 0 JHADLO CCc1nc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)no1 ZINC001306021392 1068412207 /nfs/dbraw/zinc/41/22/07/1068412207.db2.gz QANPDGIYHOUSPV-UHFFFAOYSA-N 1 2 481.649 3.603 20 0 JHADLO CCc1nn(C)c(CC)c1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001306047944 1068471631 /nfs/dbraw/zinc/47/16/31/1068471631.db2.gz YSHNTQOEUWNHFJ-KRWDZBQOSA-N 1 2 470.691 3.785 20 0 JHADLO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001306164321 1068559548 /nfs/dbraw/zinc/55/95/48/1068559548.db2.gz HTEQRBHHWWRMMR-NRFANRHFSA-N 1 2 467.662 3.653 20 0 JHADLO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001306229492 1068614375 /nfs/dbraw/zinc/61/43/75/1068614375.db2.gz WUXICDQPOQROLX-HSZRJFAPSA-N 1 2 454.546 3.626 20 0 JHADLO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001306229492 1068614378 /nfs/dbraw/zinc/61/43/78/1068614378.db2.gz WUXICDQPOQROLX-HSZRJFAPSA-N 1 2 454.546 3.626 20 0 JHADLO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001306249430 1068660003 /nfs/dbraw/zinc/66/00/03/1068660003.db2.gz WHQKPIVSEFIXFH-HXUWFJFHSA-N 1 2 499.566 3.551 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306261123 1068671155 /nfs/dbraw/zinc/67/11/55/1068671155.db2.gz SXNKBSMNKQYLDI-SIKLNZKXSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001306261123 1068671161 /nfs/dbraw/zinc/67/11/61/1068671161.db2.gz SXNKBSMNKQYLDI-SIKLNZKXSA-N 1 2 468.646 3.883 20 0 JHADLO CC[C@H]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001306312268 1068730910 /nfs/dbraw/zinc/73/09/10/1068730910.db2.gz GHFRFZSHQQRFKM-MYGLTJDJSA-N 1 2 490.693 3.644 20 0 JHADLO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001306415242 1068903302 /nfs/dbraw/zinc/90/33/02/1068903302.db2.gz OMCYOYPWPMNDMZ-CSODHUTKSA-N 1 2 458.557 3.868 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001306456461 1068981732 /nfs/dbraw/zinc/98/17/32/1068981732.db2.gz FIDJSRDDFZQNCR-PMACEKPBSA-N 1 2 461.701 3.931 20 0 JHADLO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001306456461 1068981746 /nfs/dbraw/zinc/98/17/46/1068981746.db2.gz FIDJSRDDFZQNCR-PMACEKPBSA-N 1 2 461.701 3.931 20 0 JHADLO C[C@@H](NC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[C@H](C)[NH+]1CCOCC1 ZINC001310497694 1068982325 /nfs/dbraw/zinc/98/23/25/1068982325.db2.gz KUPPVNYZUQYYOH-OLZOCXBDSA-N 1 2 459.900 3.990 20 0 JHADLO O=C(COc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1)Nc1cccnc1 ZINC001310512527 1068993861 /nfs/dbraw/zinc/99/38/61/1068993861.db2.gz JAUGIYXLZZWORE-UHFFFAOYSA-N 1 2 451.552 3.510 20 0 JHADLO CC(C)c1ccc(Cn2nccc2NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC001310532007 1069003322 /nfs/dbraw/zinc/00/33/22/1069003322.db2.gz CJMJPHYRNZVTRH-UHFFFAOYSA-N 1 2 455.603 3.982 20 0 JHADLO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306471389 1069015275 /nfs/dbraw/zinc/01/52/75/1069015275.db2.gz WHAUQXQWXLTGRJ-GIWCCYDRSA-N 1 2 468.646 3.533 20 0 JHADLO Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001310651704 1069086020 /nfs/dbraw/zinc/08/60/20/1069086020.db2.gz ULRVLNAHFYIQDH-UHFFFAOYSA-N 1 2 458.990 3.714 20 0 JHADLO O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001310653980 1069087613 /nfs/dbraw/zinc/08/76/13/1069087613.db2.gz YHHOMMLLPODFHL-MRXNPFEDSA-N 1 2 452.342 3.904 20 0 JHADLO O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001310660893 1069093523 /nfs/dbraw/zinc/09/35/23/1069093523.db2.gz RAIQQGSSOQICJL-LJQANCHMSA-N 1 2 457.481 3.739 20 0 JHADLO CCCC(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001306512344 1069108348 /nfs/dbraw/zinc/10/83/48/1069108348.db2.gz NFGMMDRDUBLVRH-VWLOTQADSA-N 1 2 496.700 3.744 20 0 JHADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC001310743928 1069146899 /nfs/dbraw/zinc/14/68/99/1069146899.db2.gz QXOVSTXXUURKME-SFHVURJKSA-N 1 2 450.381 3.719 20 0 JHADLO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775830 1069157240 /nfs/dbraw/zinc/15/72/40/1069157240.db2.gz DQVJGRBPXDMHOU-IRLDBZIGSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775830 1069157247 /nfs/dbraw/zinc/15/72/47/1069157247.db2.gz DQVJGRBPXDMHOU-IRLDBZIGSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1nc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775831 1069157411 /nfs/dbraw/zinc/15/74/11/1069157411.db2.gz DQVJGRBPXDMHOU-RBBKRZOGSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1nc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1-c1cnn(C)c1 ZINC001310775831 1069157416 /nfs/dbraw/zinc/15/74/16/1069157416.db2.gz DQVJGRBPXDMHOU-RBBKRZOGSA-N 1 2 454.962 3.637 20 0 JHADLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1S(=O)(=O)Nc1ccccc1 ZINC001310802099 1069169755 /nfs/dbraw/zinc/16/97/55/1069169755.db2.gz TURMYOSSFZIMBN-HXUWFJFHSA-N 1 2 451.552 3.591 20 0 JHADLO CCC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306533550 1069176829 /nfs/dbraw/zinc/17/68/29/1069176829.db2.gz AXFVXQOSVXLMMY-RCZVLFRGSA-N 1 2 492.064 3.925 20 0 JHADLO CCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001306535262 1069179459 /nfs/dbraw/zinc/17/94/59/1069179459.db2.gz PVJTUGINIKJTFC-DEOSSOPVSA-N 1 2 455.006 3.867 20 0 JHADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N[C@H](C1CC1)C(F)(F)F ZINC001310844929 1069190671 /nfs/dbraw/zinc/19/06/71/1069190671.db2.gz JHBPGNSILFBGET-HXUWFJFHSA-N 1 2 451.468 3.687 20 0 JHADLO CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001306546882 1069204497 /nfs/dbraw/zinc/20/44/97/1069204497.db2.gz SAIRNOQQESMNIG-QPPBQGQZSA-N 1 2 478.037 3.535 20 0 JHADLO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001306548953 1069209667 /nfs/dbraw/zinc/20/96/67/1069209667.db2.gz OIACUZVZJYUFDC-LJQANCHMSA-N 1 2 461.614 3.521 20 0 JHADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3ccc(Cl)c(C)c3)cc2)CC1 ZINC001310934575 1069226492 /nfs/dbraw/zinc/22/64/92/1069226492.db2.gz RPFUCPWMRXQDFD-UHFFFAOYSA-N 1 2 458.990 3.556 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306562723 1069231550 /nfs/dbraw/zinc/23/15/50/1069231550.db2.gz AZXATIWMASBIAF-NJYVYQBISA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001306562723 1069231564 /nfs/dbraw/zinc/23/15/64/1069231564.db2.gz AZXATIWMASBIAF-NJYVYQBISA-N 1 2 478.682 3.943 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306578015 1069243796 /nfs/dbraw/zinc/24/37/96/1069243796.db2.gz CTFXHIIQYMPOMZ-ROUUACIJSA-N 1 2 480.451 3.965 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306578015 1069243815 /nfs/dbraw/zinc/24/38/15/1069243815.db2.gz CTFXHIIQYMPOMZ-ROUUACIJSA-N 1 2 480.451 3.965 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306578019 1069244043 /nfs/dbraw/zinc/24/40/43/1069244043.db2.gz CTFXHIIQYMPOMZ-ZWKOTPCHSA-N 1 2 480.451 3.965 20 0 JHADLO CCC[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001306578019 1069244047 /nfs/dbraw/zinc/24/40/47/1069244047.db2.gz CTFXHIIQYMPOMZ-ZWKOTPCHSA-N 1 2 480.451 3.965 20 0 JHADLO CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC001311035661 1069252372 /nfs/dbraw/zinc/25/23/72/1069252372.db2.gz IBYSSTWFVMUGFB-UHFFFAOYSA-N 1 2 456.591 3.904 20 0 JHADLO CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306596910 1069271240 /nfs/dbraw/zinc/27/12/40/1069271240.db2.gz WLJZAYSQBFZREA-QHCPKHFHSA-N 1 2 483.705 3.585 20 0 JHADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@H](C)CO1 ZINC001311098832 1069273641 /nfs/dbraw/zinc/27/36/41/1069273641.db2.gz VUQQWAWVLPSALB-HUUCEWRRSA-N 1 2 451.493 3.999 20 0 JHADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)[C@H](C)CO1 ZINC001311098832 1069273651 /nfs/dbraw/zinc/27/36/51/1069273651.db2.gz VUQQWAWVLPSALB-HUUCEWRRSA-N 1 2 451.493 3.999 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]3(C)C(=O)OC)c2c1C ZINC001164391076 718805481 /nfs/dbraw/zinc/80/54/81/718805481.db2.gz UJXNRUILHRUAGC-QHCPKHFHSA-N 1 2 460.600 3.694 20 0 JHADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673804 719507724 /nfs/dbraw/zinc/50/77/24/719507724.db2.gz SECZFDCKXYCGGW-UHFFFAOYSA-N 1 2 454.546 3.541 20 0 JHADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673804 719507747 /nfs/dbraw/zinc/50/77/47/719507747.db2.gz SECZFDCKXYCGGW-UHFFFAOYSA-N 1 2 454.546 3.541 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3nccnc3Cl)CC2)cc1 ZINC001164699596 719830511 /nfs/dbraw/zinc/83/05/11/719830511.db2.gz XWTFBLBZQMLVRT-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164706065 719847850 /nfs/dbraw/zinc/84/78/50/719847850.db2.gz WEMFKPFTVOIMHL-FKIZINRSSA-N 1 2 473.788 3.823 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC001164703855 719876353 /nfs/dbraw/zinc/87/63/53/719876353.db2.gz KZKHSHYFYYINSQ-BWKNWUBXSA-N 1 2 473.017 3.570 20 0 JHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001164705365 719878056 /nfs/dbraw/zinc/87/80/56/719878056.db2.gz YIEJHDWHUIIOPJ-KSFYIVLOSA-N 1 2 481.380 3.808 20 0 JHADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c(C)cc2c1 ZINC001164824848 720358166 /nfs/dbraw/zinc/35/81/66/720358166.db2.gz OPFBQDSYMJXVAO-UHFFFAOYSA-N 1 2 465.623 3.630 20 0 JHADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c(C)cc2c1 ZINC001164824848 720358174 /nfs/dbraw/zinc/35/81/74/720358174.db2.gz OPFBQDSYMJXVAO-UHFFFAOYSA-N 1 2 465.623 3.630 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5sc(C)c(C)c54)CC3)C2=O)cs1 ZINC001164824830 720367563 /nfs/dbraw/zinc/36/75/63/720367563.db2.gz NMFXRQFEROTGND-UHFFFAOYSA-N 1 2 470.668 3.695 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5sc(C)c(C)c54)CC3)C2=O)cs1 ZINC001164824830 720367573 /nfs/dbraw/zinc/36/75/73/720367573.db2.gz NMFXRQFEROTGND-UHFFFAOYSA-N 1 2 470.668 3.695 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164821059 720376043 /nfs/dbraw/zinc/37/60/43/720376043.db2.gz WGHBEQFLZHJABY-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164821059 720376049 /nfs/dbraw/zinc/37/60/49/720376049.db2.gz WGHBEQFLZHJABY-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821174 720376886 /nfs/dbraw/zinc/37/68/86/720376886.db2.gz ZEOWXZWQVWQZON-UHFFFAOYSA-N 1 2 497.068 3.799 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164821174 720376890 /nfs/dbraw/zinc/37/68/90/720376890.db2.gz ZEOWXZWQVWQZON-UHFFFAOYSA-N 1 2 497.068 3.799 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(SCc5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164826966 720383292 /nfs/dbraw/zinc/38/32/92/720383292.db2.gz ZDZPHOVASPDFPY-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(SCc5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164826966 720383301 /nfs/dbraw/zinc/38/33/01/720383301.db2.gz ZDZPHOVASPDFPY-UHFFFAOYSA-N 1 2 494.690 3.847 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@H]23)cs1 ZINC001164825309 720387843 /nfs/dbraw/zinc/38/78/43/720387843.db2.gz VANGFOFHIMIMDS-GVAUOCQISA-N 1 2 477.634 3.753 20 0 JHADLO Cc1nc(CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@H]3CCCO[C@H]23)cs1 ZINC001164825309 720387850 /nfs/dbraw/zinc/38/78/50/720387850.db2.gz VANGFOFHIMIMDS-GVAUOCQISA-N 1 2 477.634 3.753 20 0 JHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759299 720980238 /nfs/dbraw/zinc/98/02/38/720980238.db2.gz ZWGWHBKXMWJDOO-INIZCTEOSA-N 1 2 460.916 3.996 20 0 JHADLO Clc1nc2c(c(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)n1)CN(Cc1ccccc1)CC2 ZINC001164873298 721217772 /nfs/dbraw/zinc/21/77/72/721217772.db2.gz QOSKKVISPJLMSA-UHFFFAOYSA-N 1 2 491.039 3.959 20 0 JHADLO CCOC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164767173 721275177 /nfs/dbraw/zinc/27/51/77/721275177.db2.gz HJSIOKIXAHUESY-HNNXBMFYSA-N 1 2 477.899 3.764 20 0 JHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)C2 ZINC001165009721 721708093 /nfs/dbraw/zinc/70/80/93/721708093.db2.gz VMWKKYUFMDKEJV-UHFFFAOYSA-N 1 2 457.045 3.667 20 0 JHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)C2 ZINC001165009721 721708095 /nfs/dbraw/zinc/70/80/95/721708095.db2.gz VMWKKYUFMDKEJV-UHFFFAOYSA-N 1 2 457.045 3.667 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc(Cl)c2c1 ZINC001165009379 721715345 /nfs/dbraw/zinc/71/53/45/721715345.db2.gz SYYKMFGKWZTPPI-UHFFFAOYSA-N 1 2 465.936 3.679 20 0 JHADLO COc1ccc2nc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc(Cl)c2c1 ZINC001165009379 721715350 /nfs/dbraw/zinc/71/53/50/721715350.db2.gz SYYKMFGKWZTPPI-UHFFFAOYSA-N 1 2 465.936 3.679 20 0 JHADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914088 721787397 /nfs/dbraw/zinc/78/73/97/721787397.db2.gz BIPHFARWQUEKGG-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914088 721787400 /nfs/dbraw/zinc/78/74/00/721787400.db2.gz BIPHFARWQUEKGG-HSZRJFAPSA-N 1 2 474.939 3.936 20 0 JHADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913217 721793951 /nfs/dbraw/zinc/79/39/51/721793951.db2.gz BICKGYITPITPOE-SANMLTNESA-N 1 2 496.995 3.568 20 0 JHADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913217 721793952 /nfs/dbraw/zinc/79/39/52/721793952.db2.gz BICKGYITPITPOE-SANMLTNESA-N 1 2 496.995 3.568 20 0 JHADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@](C)(c3ccccc3)C(F)(F)F)CC2)c1 ZINC001311267875 1069311991 /nfs/dbraw/zinc/31/19/91/1069311991.db2.gz XNKIXOSHVPFDGZ-QFIPXVFZSA-N 1 2 451.489 3.879 20 0 JHADLO CCCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001306667933 1069395618 /nfs/dbraw/zinc/39/56/18/1069395618.db2.gz RBFSCLMIANUVLM-LJQANCHMSA-N 1 2 480.613 3.867 20 0 JHADLO C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491043 1069402949 /nfs/dbraw/zinc/40/29/49/1069402949.db2.gz OFHSKWVHMKAKFM-YADHBBJMSA-N 1 2 456.562 3.765 20 0 JHADLO C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001311491043 1069402953 /nfs/dbraw/zinc/40/29/53/1069402953.db2.gz OFHSKWVHMKAKFM-YADHBBJMSA-N 1 2 456.562 3.765 20 0 JHADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)NC(C1CC1)C1CC1 ZINC001311515203 1069418201 /nfs/dbraw/zinc/41/82/01/1069418201.db2.gz BANLWVNPHQGZSO-GOSISDBHSA-N 1 2 453.368 3.743 20 0 JHADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)NC(C1CC1)C1CC1 ZINC001311515203 1069418204 /nfs/dbraw/zinc/41/82/04/1069418204.db2.gz BANLWVNPHQGZSO-GOSISDBHSA-N 1 2 453.368 3.743 20 0 JHADLO CCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001306707954 1069442046 /nfs/dbraw/zinc/44/20/46/1069442046.db2.gz HZHFBFKJORJOMN-IBGZPJMESA-N 1 2 459.038 3.922 20 0 JHADLO Cc1nc(-c2ccc(CNC(=O)NC3CC[NH+](CC(=O)OC(C)(C)C)CC3)s2)cs1 ZINC001311588787 1069453071 /nfs/dbraw/zinc/45/30/71/1069453071.db2.gz PZPHGMQYSQJESS-UHFFFAOYSA-N 1 2 450.630 3.785 20 0 JHADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001311594958 1069456454 /nfs/dbraw/zinc/45/64/54/1069456454.db2.gz SMUXSZGFNAOTBB-JWQCQUIFSA-N 1 2 454.590 3.678 20 0 JHADLO O=C(NC[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1)Nc1cccc(F)c1 ZINC001311698061 1069509047 /nfs/dbraw/zinc/50/90/47/1069509047.db2.gz NJGLOUJQFOPNLZ-SFHVURJKSA-N 1 2 450.518 3.755 20 0 JHADLO COc1ccccc1C1(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CCCC1 ZINC001311706177 1069511838 /nfs/dbraw/zinc/51/18/38/1069511838.db2.gz WSFAGSAUJKPMOM-HSZRJFAPSA-N 1 2 450.627 3.622 20 0 JHADLO COc1ccccc1C1(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)CCCC1 ZINC001311706177 1069511841 /nfs/dbraw/zinc/51/18/41/1069511841.db2.gz WSFAGSAUJKPMOM-HSZRJFAPSA-N 1 2 450.627 3.622 20 0 JHADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001311712082 1069514154 /nfs/dbraw/zinc/51/41/54/1069514154.db2.gz ABSAYUDLLOGZCR-UHFFFAOYSA-N 1 2 454.354 3.805 20 0 JHADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC(c2cccc(F)c2F)CC1 ZINC001311716132 1069516846 /nfs/dbraw/zinc/51/68/46/1069516846.db2.gz ZBXOTCLSXZNDOG-UHFFFAOYSA-N 1 2 459.537 3.765 20 0 JHADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755503 1069534423 /nfs/dbraw/zinc/53/44/23/1069534423.db2.gz DAALAFKRBHTUON-RTBURBONSA-N 1 2 452.780 3.974 20 0 JHADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCc2cccc(Br)c2)c2ccc(Cl)cc2)C1 ZINC001311755503 1069534425 /nfs/dbraw/zinc/53/44/25/1069534425.db2.gz DAALAFKRBHTUON-RTBURBONSA-N 1 2 452.780 3.974 20 0 JHADLO CCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001306775359 1069571856 /nfs/dbraw/zinc/57/18/56/1069571856.db2.gz LUVRTFXXHNVTBD-QFIPXVFZSA-N 1 2 454.644 3.862 20 0 JHADLO CCOc1cc2c(cc1OCC)CN(c1nnc([C@@H](C)CC)n1C[C@H](C)[NH+]1CCOCC1)CC2 ZINC001314166728 1069666489 /nfs/dbraw/zinc/66/64/89/1069666489.db2.gz YMSGKNXDABBIMM-PMACEKPBSA-N 1 2 471.646 3.872 20 0 JHADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC001306887697 1069674565 /nfs/dbraw/zinc/67/45/65/1069674565.db2.gz ICXWILLXMKRJML-LEWJYISDSA-N 1 2 451.405 3.773 20 0 JHADLO C[N@H+](CC(F)F)C1CCN(c2ncnc3c2cnn3-c2cccc(Br)c2)CC1 ZINC001306984515 1069693626 /nfs/dbraw/zinc/69/36/26/1069693626.db2.gz IEGOIRQYUYBVBH-UHFFFAOYSA-N 1 2 451.319 3.744 20 0 JHADLO C[N@@H+](CC(F)F)C1CCN(c2ncnc3c2cnn3-c2cccc(Br)c2)CC1 ZINC001306984515 1069693634 /nfs/dbraw/zinc/69/36/34/1069693634.db2.gz IEGOIRQYUYBVBH-UHFFFAOYSA-N 1 2 451.319 3.744 20 0 JHADLO CCOc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174755 1069699269 /nfs/dbraw/zinc/69/92/69/1069699269.db2.gz AKVNHYBYLOYJQK-LJQANCHMSA-N 1 2 496.578 3.519 20 0 JHADLO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)Sc1ccc(Br)cc1 ZINC001312094615 1069717176 /nfs/dbraw/zinc/71/71/76/1069717176.db2.gz FMXZZWCGCAFRMY-QGZVFWFLSA-N 1 2 456.450 3.826 20 0 JHADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC2)cc1 ZINC001312096463 1069719242 /nfs/dbraw/zinc/71/92/42/1069719242.db2.gz BQGNIMHQUONNRU-SZPZYZBQSA-N 1 2 457.619 3.515 20 0 JHADLO CCOc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001314180905 1069724001 /nfs/dbraw/zinc/72/40/01/1069724001.db2.gz RYGWHRWMXJNZRE-XMMPIXPASA-N 1 2 482.673 3.771 20 0 JHADLO CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CC[S@](=O)C(C)(C)C)CC2)cc1 ZINC001314189731 1069748637 /nfs/dbraw/zinc/74/86/37/1069748637.db2.gz WRGIHPFBPITPEL-YTTGMZPUSA-N 1 2 461.676 3.670 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001314203128 1069806087 /nfs/dbraw/zinc/80/60/87/1069806087.db2.gz SBZVQCACFHTNRO-LEWJYISDSA-N 1 2 457.619 3.918 20 0 JHADLO CCOc1ccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001314203128 1069806113 /nfs/dbraw/zinc/80/61/13/1069806113.db2.gz SBZVQCACFHTNRO-LEWJYISDSA-N 1 2 457.619 3.918 20 0 JHADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001312249102 1069807481 /nfs/dbraw/zinc/80/74/81/1069807481.db2.gz LZJGZMKTTVZRNV-FQEVSTJZSA-N 1 2 450.352 3.651 20 0 JHADLO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314216853 1069851363 /nfs/dbraw/zinc/85/13/63/1069851363.db2.gz MREDUWOQNJIZTC-NJYVYQBISA-N 1 2 457.619 3.601 20 0 JHADLO O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001312319305 1069860695 /nfs/dbraw/zinc/86/06/95/1069860695.db2.gz XSBVJRLZCZVEQV-QTWIXLPOSA-N 1 2 456.949 3.625 20 0 JHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N[C@H]3CCCN(CC)C3=O)c2c1C ZINC001307216075 1069908054 /nfs/dbraw/zinc/90/80/54/1069908054.db2.gz IAKNYODXWLUIMB-INIZCTEOSA-N 1 2 459.616 3.585 20 0 JHADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426617 1069928858 /nfs/dbraw/zinc/92/88/58/1069928858.db2.gz QFNQPPGRLWBYRM-HKBOAZHASA-N 1 2 452.382 3.788 20 0 JHADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001312426617 1069928870 /nfs/dbraw/zinc/92/88/70/1069928870.db2.gz QFNQPPGRLWBYRM-HKBOAZHASA-N 1 2 452.382 3.788 20 0 JHADLO CCOC1CC(Cn2c(N3CCC(Cl)=C(Cl)C3)nnc2C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314239665 1069940243 /nfs/dbraw/zinc/94/02/43/1069940243.db2.gz HCCKXEJULHNQEC-UHFFFAOYSA-N 1 2 472.461 3.745 20 0 JHADLO CCO[C@@H]1C[C@@H](N(C)c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC001314245723 1069960108 /nfs/dbraw/zinc/96/01/08/1069960108.db2.gz GVHWAAXMILGSKW-CEWLAPEOSA-N 1 2 456.635 3.711 20 0 JHADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)ccc1C ZINC001307419839 1069976119 /nfs/dbraw/zinc/97/61/19/1069976119.db2.gz VRCNWPPZAXHCTG-UHFFFAOYSA-N 1 2 455.502 3.525 20 0 JHADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)ccc1C ZINC001307419839 1069976124 /nfs/dbraw/zinc/97/61/24/1069976124.db2.gz VRCNWPPZAXHCTG-UHFFFAOYSA-N 1 2 455.502 3.525 20 0 JHADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC001307429784 1069981565 /nfs/dbraw/zinc/98/15/65/1069981565.db2.gz ZFCIGBXGTSJMEX-GOSISDBHSA-N 1 2 451.596 3.772 20 0 JHADLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)Cc1cc(Br)ccc1F ZINC001307449302 1069989567 /nfs/dbraw/zinc/98/95/67/1069989567.db2.gz MROIKDWLWBRPGZ-OAHLLOKOSA-N 1 2 452.343 3.896 20 0 JHADLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)Cc1cc(Br)ccc1F ZINC001307449302 1069989577 /nfs/dbraw/zinc/98/95/77/1069989577.db2.gz MROIKDWLWBRPGZ-OAHLLOKOSA-N 1 2 452.343 3.896 20 0 JHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC001307451125 1069991023 /nfs/dbraw/zinc/99/10/23/1069991023.db2.gz ROQQICKGLMEEDM-WMZHIEFXSA-N 1 2 453.583 3.650 20 0 JHADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC001307451125 1069991033 /nfs/dbraw/zinc/99/10/33/1069991033.db2.gz ROQQICKGLMEEDM-WMZHIEFXSA-N 1 2 453.583 3.650 20 0 JHADLO CCOC(=O)C1C(C[N@H+](C)[C@H](CCO)c2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307505623 1070023245 /nfs/dbraw/zinc/02/32/45/1070023245.db2.gz IQRKDBFDYGLEPA-IRLDBZIGSA-N 1 2 457.958 3.567 20 0 JHADLO CCOC(=O)C1C(C[N@@H+](C)[C@H](CCO)c2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307505623 1070023258 /nfs/dbraw/zinc/02/32/58/1070023258.db2.gz IQRKDBFDYGLEPA-IRLDBZIGSA-N 1 2 457.958 3.567 20 0 JHADLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307511116 1070026536 /nfs/dbraw/zinc/02/65/36/1070026536.db2.gz QGSPPCBEDMQWPD-UHFFFAOYSA-N 1 2 452.617 3.580 20 0 JHADLO O=C(N[C@@H]1CCc2ccccc2OC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001312587635 1070031896 /nfs/dbraw/zinc/03/18/96/1070031896.db2.gz OZPSFFYPODNJPT-QGZVFWFLSA-N 1 2 459.344 3.844 20 0 JHADLO CCc1nc2cc(CNC(=O)NC3CC[NH+](CC(=O)OC(C)(C)C)CC3)ccc2n1C1CC1 ZINC001312583802 1070028276 /nfs/dbraw/zinc/02/82/76/1070028276.db2.gz ZHVREIWSIXMWSD-UHFFFAOYSA-N 1 2 455.603 3.539 20 0 JHADLO O=C(CN1CC[NH+](CCCc2c(F)cccc2F)CC1)Nc1ccc(Br)cc1 ZINC001307526052 1070035233 /nfs/dbraw/zinc/03/52/33/1070035233.db2.gz FSMABCUFJSZLQG-UHFFFAOYSA-N 1 2 452.343 3.916 20 0 JHADLO CCO[C@@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001314277332 1070037176 /nfs/dbraw/zinc/03/71/76/1070037176.db2.gz NPHOEDXQCTZGEV-JOCHJYFZSA-N 1 2 451.571 3.529 20 0 JHADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC001307579810 1070062304 /nfs/dbraw/zinc/06/23/04/1070062304.db2.gz QBBDHKLRIGGZDE-AWEZNQCLSA-N 1 2 456.461 3.904 20 0 JHADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC001307579810 1070062319 /nfs/dbraw/zinc/06/23/19/1070062319.db2.gz QBBDHKLRIGGZDE-AWEZNQCLSA-N 1 2 456.461 3.904 20 0 JHADLO CCOCc1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314299217 1070082948 /nfs/dbraw/zinc/08/29/48/1070082948.db2.gz KLGHNGGTJIBPHG-KZTQLJDNSA-N 1 2 471.671 3.562 20 0 JHADLO CCOCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001314303780 1070089910 /nfs/dbraw/zinc/08/99/10/1070089910.db2.gz DCRIAQXZPCTSJJ-UHFFFAOYSA-N 1 2 490.530 3.750 20 0 JHADLO CCc1ccc(C2=CC[N@H+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC001307637388 1070093630 /nfs/dbraw/zinc/09/36/30/1070093630.db2.gz DANHZEKWQWQNJE-UHFFFAOYSA-N 1 2 453.608 3.761 20 0 JHADLO CCc1ccc(C2=CC[N@@H+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC001307637388 1070093643 /nfs/dbraw/zinc/09/36/43/1070093643.db2.gz DANHZEKWQWQNJE-UHFFFAOYSA-N 1 2 453.608 3.761 20 0 JHADLO Cc1ccccc1-c1nc(CNC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)no1 ZINC001312738178 1070099059 /nfs/dbraw/zinc/09/90/59/1070099059.db2.gz QKGXYXHRERBNAT-UHFFFAOYSA-N 1 2 455.946 3.605 20 0 JHADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Br)c(F)c1 ZINC001307679067 1070121319 /nfs/dbraw/zinc/12/13/19/1070121319.db2.gz IXQKSSGCBAVJTA-UHFFFAOYSA-N 1 2 452.715 3.893 20 0 JHADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Br)c(F)c1 ZINC001307679067 1070121325 /nfs/dbraw/zinc/12/13/25/1070121325.db2.gz IXQKSSGCBAVJTA-UHFFFAOYSA-N 1 2 452.715 3.893 20 0 JHADLO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)[C@H](CO)COC(C)C ZINC001307682281 1070122887 /nfs/dbraw/zinc/12/28/87/1070122887.db2.gz BOAFMPPDZWNSED-CQSZACIVSA-N 1 2 454.976 3.511 20 0 JHADLO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC001307682281 1070122893 /nfs/dbraw/zinc/12/28/93/1070122893.db2.gz BOAFMPPDZWNSED-CQSZACIVSA-N 1 2 454.976 3.511 20 0 JHADLO CO[C@H](C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O)c1ccccc1 ZINC001307690564 1070128444 /nfs/dbraw/zinc/12/84/44/1070128444.db2.gz LDLRRWMTPKUNBX-LJQANCHMSA-N 1 2 456.402 3.692 20 0 JHADLO CO[C@H](C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O)c1ccccc1 ZINC001307690564 1070128450 /nfs/dbraw/zinc/12/84/50/1070128450.db2.gz LDLRRWMTPKUNBX-LJQANCHMSA-N 1 2 456.402 3.692 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001314332298 1070126273 /nfs/dbraw/zinc/12/62/73/1070126273.db2.gz YOYKUCLCQIFRRA-FQEVSTJZSA-N 1 2 490.446 3.595 20 0 JHADLO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001314332298 1070126278 /nfs/dbraw/zinc/12/62/78/1070126278.db2.gz YOYKUCLCQIFRRA-FQEVSTJZSA-N 1 2 490.446 3.595 20 0 JHADLO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001307687572 1070126494 /nfs/dbraw/zinc/12/64/94/1070126494.db2.gz FELZWDRTYSUORT-LJQANCHMSA-N 1 2 453.421 3.964 20 0 JHADLO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001307687572 1070126495 /nfs/dbraw/zinc/12/64/95/1070126495.db2.gz FELZWDRTYSUORT-LJQANCHMSA-N 1 2 453.421 3.964 20 0 JHADLO CN(C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1nc2ccccc2s1 ZINC001307734623 1070157770 /nfs/dbraw/zinc/15/77/70/1070157770.db2.gz QKPBPLJECYBOAY-IBGZPJMESA-N 1 2 452.580 3.898 20 0 JHADLO CN(C(=O)C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1nc2ccccc2s1 ZINC001307734623 1070157775 /nfs/dbraw/zinc/15/77/75/1070157775.db2.gz QKPBPLJECYBOAY-IBGZPJMESA-N 1 2 452.580 3.898 20 0 JHADLO O=S(=O)(c1ccc(C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)o1)N1CCCC1 ZINC001307743936 1070162289 /nfs/dbraw/zinc/16/22/89/1070162289.db2.gz FODNKMVQTUKYQL-UHFFFAOYSA-N 1 2 458.502 3.567 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760705 1070172068 /nfs/dbraw/zinc/17/20/68/1070172068.db2.gz WLKOHEAEQNGVQT-YADARESESA-N 1 2 450.583 3.576 20 0 JHADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC001307760705 1070172078 /nfs/dbraw/zinc/17/20/78/1070172078.db2.gz WLKOHEAEQNGVQT-YADARESESA-N 1 2 450.583 3.576 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001307754482 1070168433 /nfs/dbraw/zinc/16/84/33/1070168433.db2.gz XBUJYEOPSIDVHG-XLIONFOSSA-N 1 2 451.995 3.688 20 0 JHADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001307754482 1070168440 /nfs/dbraw/zinc/16/84/40/1070168440.db2.gz XBUJYEOPSIDVHG-XLIONFOSSA-N 1 2 451.995 3.688 20 0 JHADLO O=C(NCc1ccc2c(c1)OC(F)(F)O2)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001312905179 1070174672 /nfs/dbraw/zinc/17/46/72/1070174672.db2.gz DSYVCVUPCSXMQZ-UHFFFAOYSA-N 1 2 453.873 3.568 20 0 JHADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(Cl)cc1OC ZINC001314357420 1070179832 /nfs/dbraw/zinc/17/98/32/1070179832.db2.gz XZOWTOHNXSCNQL-UHFFFAOYSA-N 1 2 456.978 3.549 20 0 JHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001307807617 1070192394 /nfs/dbraw/zinc/19/23/94/1070192394.db2.gz DOJNJJBMYSJUII-CQSZACIVSA-N 1 2 453.299 3.580 20 0 JHADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC001307807617 1070192397 /nfs/dbraw/zinc/19/23/97/1070192397.db2.gz DOJNJJBMYSJUII-CQSZACIVSA-N 1 2 453.299 3.580 20 0 JHADLO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001307816819 1070197680 /nfs/dbraw/zinc/19/76/80/1070197680.db2.gz FZVNWKIJHRDHEE-FQEVSTJZSA-N 1 2 450.539 3.621 20 0 JHADLO O=C(C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001307816819 1070197686 /nfs/dbraw/zinc/19/76/86/1070197686.db2.gz FZVNWKIJHRDHEE-FQEVSTJZSA-N 1 2 450.539 3.621 20 0 JHADLO CCN1C[C@H](CNC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1=O ZINC001312967797 1070203941 /nfs/dbraw/zinc/20/39/41/1070203941.db2.gz XPBXEDOBUPFAIJ-YADARESESA-N 1 2 455.002 3.625 20 0 JHADLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC001307857749 1070213252 /nfs/dbraw/zinc/21/32/52/1070213252.db2.gz OZWJYGMPOMEDFQ-UHFFFAOYSA-N 1 2 453.583 3.568 20 0 JHADLO CCOCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314377356 1070218805 /nfs/dbraw/zinc/21/88/05/1070218805.db2.gz RWHTXWHJJRBTTE-XZOQPEGZSA-N 1 2 473.687 3.918 20 0 JHADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCCC[C@@H]3CC(=O)OC(C)(C)C)n2)CC1 ZINC001307899904 1070231699 /nfs/dbraw/zinc/23/16/99/1070231699.db2.gz OCCGMQXTFWXQSY-LJQANCHMSA-N 1 2 450.649 3.900 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC001307911038 1070235899 /nfs/dbraw/zinc/23/58/99/1070235899.db2.gz UKZKHRLTVCYKTH-KEYYUXOJSA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC001307911038 1070235917 /nfs/dbraw/zinc/23/59/17/1070235917.db2.gz UKZKHRLTVCYKTH-KEYYUXOJSA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC001307911039 1070236143 /nfs/dbraw/zinc/23/61/43/1070236143.db2.gz UKZKHRLTVCYKTH-ZQIUZPCESA-N 1 2 457.354 3.772 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC001307911039 1070236153 /nfs/dbraw/zinc/23/61/53/1070236153.db2.gz UKZKHRLTVCYKTH-ZQIUZPCESA-N 1 2 457.354 3.772 20 0 JHADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307939476 1070250302 /nfs/dbraw/zinc/25/03/02/1070250302.db2.gz PXWDEVUXEDBYOR-CJNGLKHVSA-N 1 2 458.340 3.529 20 0 JHADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307939476 1070250315 /nfs/dbraw/zinc/25/03/15/1070250315.db2.gz PXWDEVUXEDBYOR-CJNGLKHVSA-N 1 2 458.340 3.529 20 0 JHADLO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC001307967435 1070262070 /nfs/dbraw/zinc/26/20/70/1070262070.db2.gz KHDDOVDNOIFIOZ-CRAIPNDOSA-N 1 2 476.595 3.640 20 0 JHADLO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC001307967435 1070262090 /nfs/dbraw/zinc/26/20/90/1070262090.db2.gz KHDDOVDNOIFIOZ-CRAIPNDOSA-N 1 2 476.595 3.640 20 0 JHADLO COc1ccc(C[N@H+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)[C@H](C)CCCO)cc1 ZINC001307981988 1070268508 /nfs/dbraw/zinc/26/85/08/1070268508.db2.gz PKCULRAWOSRPIY-MRXNPFEDSA-N 1 2 456.612 3.692 20 0 JHADLO COc1ccc(C[N@@H+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)[C@H](C)CCCO)cc1 ZINC001307981988 1070268520 /nfs/dbraw/zinc/26/85/20/1070268520.db2.gz PKCULRAWOSRPIY-MRXNPFEDSA-N 1 2 456.612 3.692 20 0 JHADLO CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001314406970 1070269985 /nfs/dbraw/zinc/26/99/85/1070269985.db2.gz VDIMRSKVGOCNMY-WNCULLNHSA-N 1 2 485.673 3.838 20 0 JHADLO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC001307995967 1070274013 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3.959 20 0 JHADLO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001314511275 1070469930 /nfs/dbraw/zinc/46/99/30/1070469930.db2.gz OJMISRIZJFVELC-HSZRJFAPSA-N 1 2 491.677 3.856 20 0 JHADLO CCCNC(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001313477616 1070485890 /nfs/dbraw/zinc/48/58/90/1070485890.db2.gz XPWKRLGMLPAALB-UHFFFAOYSA-N 1 2 481.670 3.511 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001309048330 1070507114 /nfs/dbraw/zinc/50/71/14/1070507114.db2.gz CRDKZCGQVVOONL-QGZVFWFLSA-N 1 2 451.386 3.595 20 0 JHADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001309048330 1070507123 /nfs/dbraw/zinc/50/71/23/1070507123.db2.gz CRDKZCGQVVOONL-QGZVFWFLSA-N 1 2 451.386 3.595 20 0 JHADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001309093129 1070536023 /nfs/dbraw/zinc/53/60/23/1070536023.db2.gz DZDFKTXVVOTYAR-UHFFFAOYSA-N 1 2 458.298 3.583 20 0 JHADLO 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CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001313562524 1070679980 /nfs/dbraw/zinc/67/99/80/1070679980.db2.gz CUWHPHHLQDQPSU-OAHLLOKOSA-N 1 2 471.407 3.664 20 0 JHADLO CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001313562524 1070679984 /nfs/dbraw/zinc/67/99/84/1070679984.db2.gz CUWHPHHLQDQPSU-OAHLLOKOSA-N 1 2 471.407 3.664 20 0 JHADLO CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001313562754 1070679884 /nfs/dbraw/zinc/67/98/84/1070679884.db2.gz WBYOJDWLBOLKMD-HNNXBMFYSA-N 1 2 489.393 3.971 20 0 JHADLO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C[C@H]1n1cc[nH+]c1 ZINC001309302519 1070683279 /nfs/dbraw/zinc/68/32/79/1070683279.db2.gz XUKHATPFZSIGNB-BHIYHBOVSA-N 1 2 453.992 3.756 20 0 JHADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC[N@@H+]1Cc1ccccc1 ZINC001309345309 1070712240 /nfs/dbraw/zinc/71/22/40/1070712240.db2.gz DAFDJBHSPGSSHF-LJQANCHMSA-N 1 2 450.988 3.802 20 0 JHADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC001309345309 1070712250 /nfs/dbraw/zinc/71/22/50/1070712250.db2.gz DAFDJBHSPGSSHF-LJQANCHMSA-N 1 2 450.988 3.802 20 0 JHADLO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)C1CCC1 ZINC001313605730 1070729162 /nfs/dbraw/zinc/72/91/62/1070729162.db2.gz TWYJQZOVNQEBPA-NQSCKRDGSA-N 1 2 477.650 3.637 20 0 JHADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)c3ccc4ncsc4c3)[nH+]c12 ZINC001309392180 1070741737 /nfs/dbraw/zinc/74/17/37/1070741737.db2.gz XPVJCIVNOHGHRO-UHFFFAOYSA-N 1 2 451.371 3.536 20 0 JHADLO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313620716 1070747319 /nfs/dbraw/zinc/74/73/19/1070747319.db2.gz FULBGCCMWNGHFN-UHFFFAOYSA-N 1 2 458.626 3.791 20 0 JHADLO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313620716 1070747329 /nfs/dbraw/zinc/74/73/29/1070747329.db2.gz FULBGCCMWNGHFN-UHFFFAOYSA-N 1 2 458.626 3.791 20 0 JHADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313635425 1070770276 /nfs/dbraw/zinc/77/02/76/1070770276.db2.gz NHJOWTDAUVCAED-QPPBQGQZSA-N 1 2 455.647 3.600 20 0 JHADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)c[nH+]1 ZINC001314659784 1070782791 /nfs/dbraw/zinc/78/27/91/1070782791.db2.gz DCRJFUFOQAXDGA-UHFFFAOYSA-N 1 2 459.602 3.593 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC001314662157 1070788318 /nfs/dbraw/zinc/78/83/18/1070788318.db2.gz ZWXNGQQVZSDSJL-XMSQKQJNSA-N 1 2 482.551 3.559 20 0 JHADLO CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)c[nH+]1 ZINC001314662120 1070788429 /nfs/dbraw/zinc/78/84/29/1070788429.db2.gz YPNKOQKJIVVXOR-SFHVURJKSA-N 1 2 458.513 3.529 20 0 JHADLO CN(C)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c[nH+]1 ZINC001314661142 1070785918 /nfs/dbraw/zinc/78/59/18/1070785918.db2.gz KPYNLVFKZFRIPJ-MSOLQXFVSA-N 1 2 468.524 3.577 20 0 JHADLO CN(C)c1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2cnn(C)c2)c[nH+]1 ZINC001314661567 1070786480 /nfs/dbraw/zinc/78/64/80/1070786480.db2.gz UPHAGURFSYVVBF-UHFFFAOYSA-N 1 2 499.392 3.726 20 0 JHADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC2(CC)CCC2)CC1 ZINC001313647794 1070813240 /nfs/dbraw/zinc/81/32/40/1070813240.db2.gz HGWILJHOBKTHRK-UHFFFAOYSA-N 1 2 452.647 3.824 20 0 JHADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNc1cccc[nH+]1 ZINC001314706464 1070876084 /nfs/dbraw/zinc/87/60/84/1070876084.db2.gz CCCVPMWGVDKVLR-UHFFFAOYSA-N 1 2 473.984 3.986 20 0 JHADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCC(C)(F)F ZINC001314712016 1070894299 /nfs/dbraw/zinc/89/42/99/1070894299.db2.gz DQGFGJCYZYHJLP-MSOLQXFVSA-N 1 2 469.602 3.789 20 0 JHADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)C ZINC001314712418 1070896824 /nfs/dbraw/zinc/89/68/24/1070896824.db2.gz LRDWSOHVIBCBQD-RTBURBONSA-N 1 2 474.675 3.627 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(Cl)c1 ZINC001309640893 1070896987 /nfs/dbraw/zinc/89/69/87/1070896987.db2.gz IGDLDHXEVHTHCQ-BBWFWOEESA-N 1 2 450.988 3.799 20 0 JHADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(Cl)c1 ZINC001309640893 1070897006 /nfs/dbraw/zinc/89/70/06/1070897006.db2.gz IGDLDHXEVHTHCQ-BBWFWOEESA-N 1 2 450.988 3.799 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001313672169 1070902143 /nfs/dbraw/zinc/90/21/43/1070902143.db2.gz CUXDFYJDSBNBQV-KDURUIRLSA-N 1 2 450.587 3.857 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c[nH+]1 ZINC001313674272 1070910554 /nfs/dbraw/zinc/91/05/54/1070910554.db2.gz RWYVGPCQDPTMKY-OALUTQOASA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)c[nH+]1 ZINC001313674274 1070910574 /nfs/dbraw/zinc/91/05/74/1070910574.db2.gz RWYVGPCQDPTMKY-RTBURBONSA-N 1 2 495.603 3.514 20 0 JHADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC001313674664 1070912859 /nfs/dbraw/zinc/91/28/59/1070912859.db2.gz VGEYDFRZMBWXLJ-SIKLNZKXSA-N 1 2 497.669 3.519 20 0 JHADLO CN(CC(F)(F)F)c1nnc(-c2ccccc2Br)n1CC1([NH+]2CCOCC2)CC1 ZINC001314719661 1070912972 /nfs/dbraw/zinc/91/29/72/1070912972.db2.gz SOLIMISNDNXLMW-UHFFFAOYSA-N 1 2 474.325 3.571 20 0 JHADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2Cl)c[nH+]1 ZINC001313674843 1070913364 /nfs/dbraw/zinc/91/33/64/1070913364.db2.gz LNCJDGFQSHUXIK-UHFFFAOYSA-N 1 2 470.021 3.996 20 0 JHADLO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1)c1ccco1 ZINC001313675711 1070917203 /nfs/dbraw/zinc/91/72/03/1070917203.db2.gz APEXSAWAPFEZDP-AZUAARDMSA-N 1 2 491.683 3.863 20 0 JHADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c[nH+]1 ZINC001313677060 1070923883 /nfs/dbraw/zinc/92/38/83/1070923883.db2.gz KCIQOCKJSCBTMS-UXHICEINSA-N 1 2 484.670 3.801 20 0 JHADLO CCN(CC)c1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCSCC2)c[nH+]1 ZINC001313678639 1070931065 /nfs/dbraw/zinc/93/10/65/1070931065.db2.gz INYLWJQQEQOFCY-UHFFFAOYSA-N 1 2 452.628 3.742 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Nc3ccn(C)n3)nnc2-c2cc(OC)cc(OC)c2)c[nH+]1 ZINC001313678921 1070932983 /nfs/dbraw/zinc/93/29/83/1070932983.db2.gz NAEUIZPSDVYKTP-UHFFFAOYSA-N 1 2 462.558 3.729 20 0 JHADLO CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCn3c[nH+]cc3-c3ccccc3)ccc21 ZINC001309725248 1070940467 /nfs/dbraw/zinc/94/04/67/1070940467.db2.gz LEXXSYOGFWCWHU-UHFFFAOYSA-N 1 2 452.580 3.563 20 0 JHADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCCO[C@H](C)C2)c[nH+]1 ZINC001313679943 1070936078 /nfs/dbraw/zinc/93/60/78/1070936078.db2.gz PMAJIAZNFXMIKY-LJQANCHMSA-N 1 2 452.578 3.913 20 0 JHADLO CN(Cc1ccccc1Br)c1nnc([C@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001314746792 1070992594 /nfs/dbraw/zinc/99/25/94/1070992594.db2.gz QXQKJQIKJQADCX-GOSISDBHSA-N 1 2 484.402 3.525 20 0 JHADLO CCN(CC1CCC1)c1nnc(COc2cccc(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313769683 1071119459 /nfs/dbraw/zinc/11/94/59/1071119459.db2.gz KGHBHMTXQKUJQH-UHFFFAOYSA-N 1 2 454.663 3.818 20 0 JHADLO CCN(CC1CCC1)c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313769683 1071119468 /nfs/dbraw/zinc/11/94/68/1071119468.db2.gz KGHBHMTXQKUJQH-UHFFFAOYSA-N 1 2 454.663 3.818 20 0 JHADLO CCN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001313774961 1071130401 /nfs/dbraw/zinc/13/04/01/1071130401.db2.gz XLRORELRGKOPSW-NQIIRXRSSA-N 1 2 456.541 3.927 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC=C(C)C ZINC001313778150 1071138592 /nfs/dbraw/zinc/13/85/92/1071138592.db2.gz DTQYRBLNMRZTPJ-NRFANRHFSA-N 1 2 451.619 3.723 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cccc(C)n2)n1CCC(C)(C)O ZINC001313779345 1071142430 /nfs/dbraw/zinc/14/24/30/1071142430.db2.gz NMHCAVIKEVIZTA-UHFFFAOYSA-N 1 2 463.630 3.947 20 0 JHADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCCCO1 ZINC001313779827 1071143460 /nfs/dbraw/zinc/14/34/60/1071143460.db2.gz RJGWMEQJMOFYFA-JOCHJYFZSA-N 1 2 483.661 3.513 20 0 JHADLO CCN(C[C@H]1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313787226 1071167582 /nfs/dbraw/zinc/16/75/82/1071167582.db2.gz MSFJHIHWUOKDFR-GGAORHGYSA-N 1 2 494.606 3.679 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)C1CCCCC1 ZINC001314869564 1071279264 /nfs/dbraw/zinc/27/92/64/1071279264.db2.gz BUMGUIYWKPERKH-VWLOTQADSA-N 1 2 493.599 3.646 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCC1(F)F ZINC001314870948 1071282793 /nfs/dbraw/zinc/28/27/93/1071282793.db2.gz AEFZRNDPWHPVBU-GOSISDBHSA-N 1 2 467.536 3.590 20 0 JHADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CCC1CC(OC(C)(C)C)C1 ZINC001314874037 1071291004 /nfs/dbraw/zinc/29/10/04/1071291004.db2.gz LVHLZZLDWMYCDV-UHFFFAOYSA-N 1 2 461.676 3.683 20 0 JHADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310313243 1071294681 /nfs/dbraw/zinc/29/46/81/1071294681.db2.gz SCGKQQNCNLGNDL-DEOSSOPVSA-N 1 2 459.974 3.656 20 0 JHADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310313243 1071294684 /nfs/dbraw/zinc/29/46/84/1071294684.db2.gz SCGKQQNCNLGNDL-DEOSSOPVSA-N 1 2 459.974 3.656 20 0 JHADLO CN(CCS(C)(=O)=O)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314886030 1071314946 /nfs/dbraw/zinc/31/49/46/1071314946.db2.gz LQIYCAAVUDYSQF-FQEVSTJZSA-N 1 2 487.695 3.593 20 0 JHADLO CCn1cc(CN(C)c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001313839323 1071322761 /nfs/dbraw/zinc/32/27/61/1071322761.db2.gz ROUUAYGKWHRKIG-UHFFFAOYSA-N 1 2 450.978 3.961 20 0 JHADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)C1 ZINC001310349633 1071330325 /nfs/dbraw/zinc/33/03/25/1071330325.db2.gz XWXSTKXGQKDLKX-SFHVURJKSA-N 1 2 456.509 3.950 20 0 JHADLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366402 1071343253 /nfs/dbraw/zinc/34/32/53/1071343253.db2.gz NNDTXSDOSAPXSS-RTWAWAEBSA-N 1 2 458.946 3.798 20 0 JHADLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cccc1N1CCOC1=O ZINC001310366402 1071343265 /nfs/dbraw/zinc/34/32/65/1071343265.db2.gz NNDTXSDOSAPXSS-RTWAWAEBSA-N 1 2 458.946 3.798 20 0 JHADLO CN1CC[N@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1(C)C ZINC001314932040 1071377498 /nfs/dbraw/zinc/37/74/98/1071377498.db2.gz XCOGHGPSTRJGDK-FQEVSTJZSA-N 1 2 472.653 3.895 20 0 JHADLO CN1CC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1(C)C ZINC001314932040 1071377513 /nfs/dbraw/zinc/37/75/13/1071377513.db2.gz XCOGHGPSTRJGDK-FQEVSTJZSA-N 1 2 472.653 3.895 20 0 JHADLO CCN1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001313917529 1071555190 /nfs/dbraw/zinc/55/51/90/1071555190.db2.gz LRACLNSCVILXML-UHFFFAOYSA-N 1 2 489.624 3.542 20 0 JHADLO CNC(=O)CCN(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001315041388 1071573798 /nfs/dbraw/zinc/57/37/98/1071573798.db2.gz WBAGEUVPSNXWNW-UHFFFAOYSA-N 1 2 475.641 3.573 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926530 1071576855 /nfs/dbraw/zinc/57/68/55/1071576855.db2.gz DKRUPIACVZRZJO-HSZRJFAPSA-N 1 2 452.647 3.656 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926531 1071576955 /nfs/dbraw/zinc/57/69/55/1071576955.db2.gz DKRUPIACVZRZJO-QHCPKHFHSA-N 1 2 452.647 3.656 20 0 JHADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313927854 1071581816 /nfs/dbraw/zinc/58/18/16/1071581816.db2.gz PCTKYYYAONNBHD-OFNKIYASSA-N 1 2 454.663 3.736 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929332 1071586675 /nfs/dbraw/zinc/58/66/75/1071586675.db2.gz YZXTZTPODCCSEF-UXHICEINSA-N 1 2 491.080 3.540 20 0 JHADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313929320 1071586858 /nfs/dbraw/zinc/58/68/58/1071586858.db2.gz YYTKTVDVYMMPCZ-VJBWXMMDSA-N 1 2 486.730 3.830 20 0 JHADLO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3C)n2Cc2c[nH+]ccc2OC)CCOC1 ZINC001314074507 1071929844 /nfs/dbraw/zinc/92/98/44/1071929844.db2.gz LCXRZILBYZOASG-KBMIEXCESA-N 1 2 451.571 3.888 20 0 JHADLO CCO[C@@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)CCOC1 ZINC001314140435 1072054002 /nfs/dbraw/zinc/05/40/02/1072054002.db2.gz LDIOHRPYWBXWCL-OFVILXPXSA-N 1 2 457.619 3.518 20 0 JHADLO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305977490 1068317789 /nfs/dbraw/zinc/31/77/89/1068317789.db2.gz DVTUOKWPSNUJBQ-YADHBBJMSA-N 1 2 453.631 3.933 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CC[C@H](C(=O)OC)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305979217 1068321569 /nfs/dbraw/zinc/32/15/69/1068321569.db2.gz LYHBTHIZUDTGMW-NRFANRHFSA-N 1 2 463.582 3.755 20 0 JHADLO CCc1ccccc1OCc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305991265 1068352788 /nfs/dbraw/zinc/35/27/88/1068352788.db2.gz XKGVYSNJXOJKQR-NZQKXSOJSA-N 1 2 473.687 3.718 20 0 JHADLO CCc1cnc(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001305996600 1068361721 /nfs/dbraw/zinc/36/17/21/1068361721.db2.gz XJOVCBVACOQGPH-LJQANCHMSA-N 1 2 454.644 3.553 20 0 JHADLO CCc1cnc(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001305996600 1068361741 /nfs/dbraw/zinc/36/17/41/1068361741.db2.gz XJOVCBVACOQGPH-LJQANCHMSA-N 1 2 454.644 3.553 20 0 JHADLO CCc1nnc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC001306060347 1068498224 /nfs/dbraw/zinc/49/82/24/1068498224.db2.gz YXIUYZGPASGIOH-QGZVFWFLSA-N 1 2 489.715 3.900 20 0 JHADLO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001306125847 1068532896 /nfs/dbraw/zinc/53/28/96/1068532896.db2.gz UYFMVTFWSXSYKS-LJQANCHMSA-N 1 2 460.420 3.621 20 0 JHADLO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001306125847 1068532905 /nfs/dbraw/zinc/53/29/05/1068532905.db2.gz UYFMVTFWSXSYKS-LJQANCHMSA-N 1 2 460.420 3.621 20 0 JHADLO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306279748 1068694765 /nfs/dbraw/zinc/69/47/65/1068694765.db2.gz POFXKJXULQBMPH-BHDDXSALSA-N 1 2 470.662 3.517 20 0 JHADLO CC[C@H]1C[C@@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306284683 1068702419 /nfs/dbraw/zinc/70/24/19/1068702419.db2.gz USLHKPLQFQKFOW-NQIIRXRSSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@H]1C[C@@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306284683 1068702433 /nfs/dbraw/zinc/70/24/33/1068702433.db2.gz USLHKPLQFQKFOW-NQIIRXRSSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306284682 1068702463 /nfs/dbraw/zinc/70/24/63/1068702463.db2.gz USLHKPLQFQKFOW-GHTZIAJQSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306284682 1068702475 /nfs/dbraw/zinc/70/24/75/1068702475.db2.gz USLHKPLQFQKFOW-GHTZIAJQSA-N 1 2 489.064 3.597 20 0 JHADLO CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306343196 1068778920 /nfs/dbraw/zinc/77/89/20/1068778920.db2.gz QTNORHCTBSOWAV-NHCUHLMSSA-N 1 2 458.626 3.649 20 0 JHADLO CC[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306359853 1068795004 /nfs/dbraw/zinc/79/50/04/1068795004.db2.gz YIKOPXYRDHKLOA-QGZVFWFLSA-N 1 2 468.005 3.607 20 0 JHADLO CCC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001306383276 1068815422 /nfs/dbraw/zinc/81/54/22/1068815422.db2.gz QAZWOXLZVGHGGU-UHFFFAOYSA-N 1 2 496.700 3.945 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001306392410 1068833237 /nfs/dbraw/zinc/83/32/37/1068833237.db2.gz BXYSNZFQLLWPLN-FGZHOGPDSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001306392410 1068833259 /nfs/dbraw/zinc/83/32/59/1068833259.db2.gz BXYSNZFQLLWPLN-FGZHOGPDSA-N 1 2 471.646 3.761 20 0 JHADLO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)[nH+]2)CCS1 ZINC001306400700 1068859375 /nfs/dbraw/zinc/85/93/75/1068859375.db2.gz YHVRELCZYBWLPU-QPPBQGQZSA-N 1 2 459.660 3.987 20 0 JHADLO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CCO1 ZINC001306435963 1068939750 /nfs/dbraw/zinc/93/97/50/1068939750.db2.gz XFDRISFQJCJNHK-XZOQPEGZSA-N 1 2 455.647 3.864 20 0 JHADLO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001306439399 1068945866 /nfs/dbraw/zinc/94/58/66/1068945866.db2.gz KYTSHTNMKFUQLO-JOCHJYFZSA-N 1 2 464.614 3.782 20 0 JHADLO CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CCS1 ZINC001306454212 1068975179 /nfs/dbraw/zinc/97/51/79/1068975179.db2.gz SMCBVXODJSRFES-DENIHFKCSA-N 1 2 493.121 3.868 20 0 JHADLO C[C@@H](NC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[C@@H](C)[NH+]1CCOCC1 ZINC001310497693 1068981983 /nfs/dbraw/zinc/98/19/83/1068981983.db2.gz KUPPVNYZUQYYOH-CHWSQXEVSA-N 1 2 459.900 3.990 20 0 JHADLO CC/C=C/Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001306465460 1069003906 /nfs/dbraw/zinc/00/39/06/1069003906.db2.gz OLVCSKAZPRUNAD-NJFIGMEYSA-N 1 2 466.674 3.705 20 0 JHADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 ZINC001310665557 1069096297 /nfs/dbraw/zinc/09/62/97/1069096297.db2.gz QFVVYXHNGVPQDS-UHFFFAOYSA-N 1 2 453.370 3.868 20 0 JHADLO O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)N1CC[NH+](Cc2cccs2)CC1 ZINC001310728201 1069139238 /nfs/dbraw/zinc/13/92/38/1069139238.db2.gz QXALRXIYMOCOMK-UHFFFAOYSA-N 1 2 452.552 3.802 20 0 JHADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001310730073 1069140759 /nfs/dbraw/zinc/14/07/59/1069140759.db2.gz ULAALNYGAQJMOJ-UHFFFAOYSA-N 1 2 457.506 3.957 20 0 JHADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 ZINC001310995389 1069244308 /nfs/dbraw/zinc/24/43/08/1069244308.db2.gz NXEMVIBXTGJHPG-ICSRJNTNSA-N 1 2 455.559 3.750 20 0 JHADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001306587966 1069255865 /nfs/dbraw/zinc/25/58/65/1069255865.db2.gz YZENHNHBDHFPPE-FPOVZHCZSA-N 1 2 455.651 3.507 20 0 JHADLO C[C@H]1COCCN1c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC001311053830 1069259020 /nfs/dbraw/zinc/25/90/20/1069259020.db2.gz LOVDSNDRMJFMTK-SFHVURJKSA-N 1 2 458.990 3.719 20 0 JHADLO CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001306596909 1069271274 /nfs/dbraw/zinc/27/12/74/1069271274.db2.gz WLJZAYSQBFZREA-HSZRJFAPSA-N 1 2 483.705 3.585 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001311216348 1069299873 /nfs/dbraw/zinc/29/98/73/1069299873.db2.gz HYMYBIDIEOUPNX-FGZHOGPDSA-N 1 2 456.974 3.906 20 0 JHADLO CN(C(=O)C1CC1)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001311216348 1069299891 /nfs/dbraw/zinc/29/98/91/1069299891.db2.gz HYMYBIDIEOUPNX-FGZHOGPDSA-N 1 2 456.974 3.906 20 0 JHADLO COc1nnc(Cl)cc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420265 718890903 /nfs/dbraw/zinc/89/09/03/718890903.db2.gz SZSBWEIULVJNMI-LBPRGKRZSA-N 1 2 474.693 3.672 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164663882 719346384 /nfs/dbraw/zinc/34/63/84/719346384.db2.gz OIVWSLRTLWDAHN-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164663882 719346386 /nfs/dbraw/zinc/34/63/86/719346386.db2.gz OIVWSLRTLWDAHN-UHFFFAOYSA-N 1 2 450.974 3.529 20 0 JHADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164657926 719350504 /nfs/dbraw/zinc/35/05/04/719350504.db2.gz ACYNLKYSRPTCCP-UHFFFAOYSA-N 1 2 495.027 3.930 20 0 JHADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164657926 719350508 /nfs/dbraw/zinc/35/05/08/719350508.db2.gz ACYNLKYSRPTCCP-UHFFFAOYSA-N 1 2 495.027 3.930 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164658417 719350687 /nfs/dbraw/zinc/35/06/87/719350687.db2.gz GLBDUYGWNDTCNA-GOSISDBHSA-N 1 2 457.582 3.617 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164658417 719350689 /nfs/dbraw/zinc/35/06/89/719350689.db2.gz GLBDUYGWNDTCNA-GOSISDBHSA-N 1 2 457.582 3.617 20 0 JHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164665797 719356046 /nfs/dbraw/zinc/35/60/46/719356046.db2.gz YXWVPYFXRJLBEQ-UHFFFAOYSA-N 1 2 478.044 3.813 20 0 JHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164665797 719356049 /nfs/dbraw/zinc/35/60/49/719356049.db2.gz YXWVPYFXRJLBEQ-UHFFFAOYSA-N 1 2 478.044 3.813 20 0 JHADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164670986 719509120 /nfs/dbraw/zinc/50/91/20/719509120.db2.gz ASVLUWKGLYBTMT-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164670986 719509131 /nfs/dbraw/zinc/50/91/31/719509131.db2.gz ASVLUWKGLYBTMT-UHFFFAOYSA-N 1 2 464.541 3.817 20 0 JHADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673375 719512419 /nfs/dbraw/zinc/51/24/19/719512419.db2.gz QQHBUTHDFBPBRQ-UHFFFAOYSA-N 1 2 483.371 3.971 20 0 JHADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673375 719512432 /nfs/dbraw/zinc/51/24/32/719512432.db2.gz QQHBUTHDFBPBRQ-UHFFFAOYSA-N 1 2 483.371 3.971 20 0 JHADLO Cc1nc(Cl)cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)n1 ZINC001164698877 719829907 /nfs/dbraw/zinc/82/99/07/719829907.db2.gz VSXMRJIDEUAMDJ-UHFFFAOYSA-N 1 2 472.927 3.888 20 0 JHADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)nc3)CC2)cc1 ZINC001164695795 719830077 /nfs/dbraw/zinc/83/00/77/719830077.db2.gz FNWSZKGIGZAHMV-UHFFFAOYSA-N 1 2 458.900 3.579 20 0 JHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164699505 719856961 /nfs/dbraw/zinc/85/69/61/719856961.db2.gz FVZGSGRGEARHOM-VLIAUNLRSA-N 1 2 489.350 3.714 20 0 JHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1Cl ZINC001164703475 719878332 /nfs/dbraw/zinc/87/83/32/719878332.db2.gz SNNXNUTUNSFWLR-IVZQSRNASA-N 1 2 481.380 3.808 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164725428 720312397 /nfs/dbraw/zinc/31/23/97/720312397.db2.gz VJTWXAFCMFGARJ-AWEZNQCLSA-N 1 2 454.934 3.907 20 0 JHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164724997 720312996 /nfs/dbraw/zinc/31/29/96/720312996.db2.gz UQYWTUKFMKXHET-QFIPXVFZSA-N 1 2 480.016 3.663 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164824847 720366684 /nfs/dbraw/zinc/36/66/84/720366684.db2.gz OORORKZFPDPFOQ-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164824847 720366690 /nfs/dbraw/zinc/36/66/90/720366690.db2.gz OORORKZFPDPFOQ-UHFFFAOYSA-N 1 2 456.015 3.966 20 0 JHADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c2cc(Cl)ccc12 ZINC001164819763 720369040 /nfs/dbraw/zinc/36/90/40/720369040.db2.gz IHEIWVYOFKVPIJ-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c2cc(Cl)ccc12 ZINC001164819763 720369047 /nfs/dbraw/zinc/36/90/47/720369047.db2.gz IHEIWVYOFKVPIJ-UHFFFAOYSA-N 1 2 486.041 3.975 20 0 JHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164820750 720369970 /nfs/dbraw/zinc/36/99/70/720369970.db2.gz SXQHYJGACQVFJH-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164820750 720369978 /nfs/dbraw/zinc/36/99/78/720369978.db2.gz SXQHYJGACQVFJH-UHFFFAOYSA-N 1 2 471.030 3.670 20 0 JHADLO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821424 720386358 /nfs/dbraw/zinc/38/63/58/720386358.db2.gz GLDKSPTUOXJSEZ-INIZCTEOSA-N 1 2 467.643 3.550 20 0 JHADLO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821424 720386365 /nfs/dbraw/zinc/38/63/65/720386365.db2.gz GLDKSPTUOXJSEZ-INIZCTEOSA-N 1 2 467.643 3.550 20 0 JHADLO CCn1nnc2c1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)[C@H]2COCc1ccccc1 ZINC001164765709 721048171 /nfs/dbraw/zinc/04/81/71/721048171.db2.gz DCEHVOZWWYOAMN-MHZLTWQESA-N 1 2 495.631 3.967 20 0 JHADLO CCn1nnc2c1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)[C@H]2COCc1ccccc1 ZINC001164765709 721048173 /nfs/dbraw/zinc/04/81/73/721048173.db2.gz DCEHVOZWWYOAMN-MHZLTWQESA-N 1 2 495.631 3.967 20 0 JHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870684 721221818 /nfs/dbraw/zinc/22/18/18/721221818.db2.gz HAKFCFPVOODFHB-UHFFFAOYSA-N 1 2 467.904 3.643 20 0 JHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870737 721222861 /nfs/dbraw/zinc/22/28/61/721222861.db2.gz HIWCOHBXXIXVQG-UHFFFAOYSA-N 1 2 467.904 3.643 20 0 JHADLO Clc1cc(C2CCCCC2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913385 721800396 /nfs/dbraw/zinc/80/03/96/721800396.db2.gz CSAZVQGISBMCAL-XMMPIXPASA-N 1 2 458.006 3.681 20 0 JHADLO Clc1cc(C2CCCCC2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913385 721800399 /nfs/dbraw/zinc/80/03/99/721800399.db2.gz CSAZVQGISBMCAL-XMMPIXPASA-N 1 2 458.006 3.681 20 0 JHADLO Clc1cc(C2CCCCC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913383 721800555 /nfs/dbraw/zinc/80/05/55/721800555.db2.gz CSAZVQGISBMCAL-DEOSSOPVSA-N 1 2 458.006 3.681 20 0 JHADLO Clc1cc(C2CCCCC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913383 721800557 /nfs/dbraw/zinc/80/05/57/721800557.db2.gz CSAZVQGISBMCAL-DEOSSOPVSA-N 1 2 458.006 3.681 20 0 JHADLO Fc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915730 721800573 /nfs/dbraw/zinc/80/05/73/721800573.db2.gz ZAAGFTVYOFTSRT-DEOSSOPVSA-N 1 2 485.947 3.564 20 0 JHADLO Fc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915730 721800574 /nfs/dbraw/zinc/80/05/74/721800574.db2.gz ZAAGFTVYOFTSRT-DEOSSOPVSA-N 1 2 485.947 3.564 20 0 JHADLO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164919417 721809005 /nfs/dbraw/zinc/80/90/05/721809005.db2.gz XPXRJPWPNIREPM-QUURXOELSA-N 1 2 477.634 3.692 20 0 JHADLO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164919417 721809008 /nfs/dbraw/zinc/80/90/08/721809008.db2.gz XPXRJPWPNIREPM-QUURXOELSA-N 1 2 477.634 3.692 20 0 JHADLO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164919415 721809156 /nfs/dbraw/zinc/80/91/56/721809156.db2.gz XPXRJPWPNIREPM-QFZRFWILSA-N 1 2 477.634 3.692 20 0 JHADLO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164919415 721809158 /nfs/dbraw/zinc/80/91/58/721809158.db2.gz XPXRJPWPNIREPM-QFZRFWILSA-N 1 2 477.634 3.692 20 0 JHADLO