smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cc2cc(Cl)c(OC[C@@H](O)C[NH+](C)C)c(Cl)c2)cc1Cl ZINC000000863053 551551866 /nfs/dbraw/zinc/55/18/66/551551866.db2.gz UJXRCVVXSDJMBG-CALCHBBNSA-N 2 0 540.315 4.494 50 0 KIAARP CCCC[C@@H](CC)CNC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])NC[C@H](CC)CCCC ZINC000004468820 552461610 /nfs/dbraw/zinc/46/16/10/552461610.db2.gz LFVVNPBBFUSSHL-FGZHOGPDSA-N 4 0 508.804 4.256 50 0 in-man KIAARP CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3n2)CC1 ZINC000004791453 552484691 /nfs/dbraw/zinc/48/46/91/552484691.db2.gz JMWQUNFCYYXBLF-UHFFFAOYSA-N 2 0 549.764 4.323 50 0 KIAARP CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[N@@H+]4CCc5ccccc5C4)ccc3n2)CC1 ZINC000004791478 552484679 /nfs/dbraw/zinc/48/46/79/552484679.db2.gz YDPZMUWTVKPGBB-UHFFFAOYSA-N 2 0 502.732 4.420 50 0 KIAARP C[NH+](C)C[C@H](O)COc1c(Cl)cc(Cc2cc(Cl)c(OC[C@@H](O)C[NH+](C)C)c(Cl)c2)cc1Cl ZINC000006878681 552975919 /nfs/dbraw/zinc/97/59/19/552975919.db2.gz UJXRCVVXSDJMBG-IRXDYDNUSA-N 2 0 540.315 4.494 50 0 KIAARP C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cc2cc(Cl)c(OC[C@H](O)C[NH+](C)C)c(Cl)c2)cc1Cl ZINC000006878684 552975908 /nfs/dbraw/zinc/97/59/08/552975908.db2.gz UJXRCVVXSDJMBG-IAGOWNOFSA-N 2 0 540.315 4.494 50 0 KIAARP CCCC[C@H](CC)CNC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])NC[C@@H](CC)CCCC ZINC000008035320 552984053 /nfs/dbraw/zinc/98/40/53/552984053.db2.gz LFVVNPBBFUSSHL-VXKWHMMOSA-N 4 0 508.804 4.256 50 0 in-man KIAARP O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008397568 552997064 /nfs/dbraw/zinc/99/70/64/552997064.db2.gz QLWIGVGNMWHJGT-LOYHVIPDSA-N 2 0 615.602 4.117 50 0 KIAARP O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008397580 552997092 /nfs/dbraw/zinc/99/70/92/552997092.db2.gz QLWIGVGNMWHJGT-KYJUHHDHSA-N 2 0 615.602 4.117 50 0 KIAARP O=C(NCCC[NH+]1CCCC1)C1C(c2ccccc2)C(C(=O)NCCC[NH+]2CCCC2)C1c1ccccc1 ZINC000008400069 553003513 /nfs/dbraw/zinc/00/35/13/553003513.db2.gz XGUNLOUWBDOALI-UHFFFAOYSA-N 2 0 516.730 4.004 50 0 KIAARP O=C1C[C@@H]([NH2+]C2CCCCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000008412385 553010029 /nfs/dbraw/zinc/01/00/29/553010029.db2.gz QRLQFLACYYHCHT-WMPKNSHKSA-N 2 0 522.690 4.355 50 0 KIAARP CCOc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1OC ZINC000009265772 553229860 /nfs/dbraw/zinc/22/98/60/553229860.db2.gz GBRTUSDAHKGVCK-UHFFFAOYSA-N 2 0 510.708 4.481 50 0 KIAARP COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c(OC)c1 ZINC000009265776 553229830 /nfs/dbraw/zinc/22/98/30/553229830.db2.gz TZBVBTMTQXBBBK-UHFFFAOYSA-N 2 0 510.708 4.133 50 0 KIAARP C[NH+](CCOC(=O)CCC(=O)OCC[N@@H+](C)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 ZINC000009379936 553251548 /nfs/dbraw/zinc/25/15/48/553251548.db2.gz YADUUHQXTZCSJC-UHFFFAOYSA-N 2 0 500.724 4.366 50 0 KIAARP CN(C)c1ccc(-c2cc[n+](CCOCCOCC[n+]3ccc(-c4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000011917707 553349760 /nfs/dbraw/zinc/34/97/60/553349760.db2.gz ZRILXNLPQVEBTM-UHFFFAOYSA-N 2 0 512.698 4.461 50 0 KIAARP O=C1C[C@H]([NH2+]C2CCCCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000014257444 553506682 /nfs/dbraw/zinc/50/66/82/553506682.db2.gz QRLQFLACYYHCHT-UIOOFZCWSA-N 2 0 522.690 4.355 50 0 KIAARP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[NH+](Cc2ccncc2)C1 ZINC000014532941 553517552 /nfs/dbraw/zinc/51/75/52/553517552.db2.gz ZXVUCIVYXJUCPC-WMTXJRDZSA-N 2 0 504.597 4.218 50 0 KIAARP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[NH+](Cc2ccncc2)C1 ZINC000014532942 553517627 /nfs/dbraw/zinc/51/76/27/553517627.db2.gz ZXVUCIVYXJUCPC-ZDXQCDESSA-N 2 0 504.597 4.218 50 0 KIAARP C[NH+](C)CCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732541 553519292 /nfs/dbraw/zinc/51/92/92/553519292.db2.gz VMIYKEUGHUGBIN-URLMMPGGSA-N 2 0 512.698 4.473 50 0 KIAARP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000014745273 553520001 /nfs/dbraw/zinc/52/00/01/553520001.db2.gz FBWDIRMFQWLKLS-CERRFVOPSA-N 2 0 502.634 4.218 50 0 KIAARP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000014745274 553520098 /nfs/dbraw/zinc/52/00/98/553520098.db2.gz FBWDIRMFQWLKLS-QQNWGBJXSA-N 2 0 502.634 4.218 50 0 KIAARP COc1ccc2cc(C[NH2+]Cc3ccccc3C(F)(F)F)c(N3CCC(=O)N(CC[NH+](C)C)CC3)nc2c1 ZINC000014967506 553522724 /nfs/dbraw/zinc/52/27/24/553522724.db2.gz OVQYQSCYFFXQFB-UHFFFAOYSA-N 2 0 529.607 4.152 50 0 KIAARP Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020240750 553626832 /nfs/dbraw/zinc/62/68/32/553626832.db2.gz CFMUDUGOCGGPMB-UHFFFAOYSA-N 2 0 536.120 4.449 50 0 KIAARP Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020240797 553626778 /nfs/dbraw/zinc/62/67/78/553626778.db2.gz LYEUKNYRYONARV-UHFFFAOYSA-N 2 0 536.120 4.449 50 0 KIAARP Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020240888 553626791 /nfs/dbraw/zinc/62/67/91/553626791.db2.gz GJKMFPYVEFPUNB-AREMUKBSSA-N 2 0 536.120 4.449 50 0 KIAARP Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020240890 553626770 /nfs/dbraw/zinc/62/67/70/553626770.db2.gz GJKMFPYVEFPUNB-SANMLTNESA-N 2 0 536.120 4.449 50 0 KIAARP c1cc(CN2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1 ZINC000020576563 553676192 /nfs/dbraw/zinc/67/61/92/553676192.db2.gz YJDQQZDQBJWCPF-UHFFFAOYSA-N 2 0 505.736 4.101 50 0 KIAARP COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1OC ZINC000020576567 553676198 /nfs/dbraw/zinc/67/61/98/553676198.db2.gz VNQZRSKTTOTWSQ-UHFFFAOYSA-N 2 0 510.708 4.133 50 0 KIAARP CC[NH+](CC)CCCNC(=O)C1C(c2ccccc2)C(C(=O)NCCC[NH+](CC)CC)C1c1ccccc1 ZINC000020608598 553678136 /nfs/dbraw/zinc/67/81/36/553678136.db2.gz IYZPSUJHWSHYPW-UHFFFAOYSA-N 2 0 520.762 4.496 50 0 KIAARP Cc1cccc(C[NH+]2CCC(CNC(=O)CCC(=O)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)CC2)c1 ZINC000029748931 553850399 /nfs/dbraw/zinc/85/03/99/553850399.db2.gz QCJOOLRZXHEHKH-UHFFFAOYSA-N 2 0 556.755 4.351 50 0 KIAARP COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)cc(OC)c1 ZINC000034725954 553997076 /nfs/dbraw/zinc/99/70/76/553997076.db2.gz JEKVLSWNAUZBNI-UHFFFAOYSA-N 2 0 506.691 4.487 50 0 KIAARP COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)c1OC ZINC000034725973 553997124 /nfs/dbraw/zinc/99/71/24/553997124.db2.gz JHFIMUKTPACXOW-UHFFFAOYSA-N 2 0 506.691 4.487 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908061 554092304 /nfs/dbraw/zinc/09/23/04/554092304.db2.gz MSLQZAASJKLDBH-BDYUSTAISA-N 2 0 514.636 4.213 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908109 554092214 /nfs/dbraw/zinc/09/22/14/554092214.db2.gz FCDOLTPCNOPQPX-BDYUSTAISA-N 2 0 530.635 4.049 50 0 KIAARP COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2c1c1ccccc1n2C[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000067664987 554533347 /nfs/dbraw/zinc/53/33/47/554533347.db2.gz BUCQRVKKTLMWQH-RRPNLBNLSA-N 2 0 629.754 4.250 50 0 in-vitro KIAARP COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2c1c1ccccc1n2C[C@H](O)C[NH2+]CCOc1ccccc1OC ZINC000067664990 554533277 /nfs/dbraw/zinc/53/32/77/554533277.db2.gz BUCQRVKKTLMWQH-KAYWLYCHSA-N 2 0 629.754 4.250 50 0 in-vitro KIAARP COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2c1c1ccccc1n2C[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000067664992 554533264 /nfs/dbraw/zinc/53/32/64/554533264.db2.gz BUCQRVKKTLMWQH-SVBPBHIXSA-N 2 0 629.754 4.250 50 0 in-vitro KIAARP COc1ccccc1OCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2c1cccc2OC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000067664994 554533307 /nfs/dbraw/zinc/53/33/07/554533307.db2.gz BUCQRVKKTLMWQH-SXOMAYOGSA-N 2 0 629.754 4.250 50 0 in-vitro KIAARP [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000098052868 554176417 /nfs/dbraw/zinc/17/64/17/554176417.db2.gz ITIXDWVDFFXNEG-JHOUSYSJSA-N 2 0 869.660 4.408 50 0 investigational KIAARP COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)NCC[NH+]3CCCCC3)C2)c1OC ZINC000101078488 554578302 /nfs/dbraw/zinc/57/83/02/554578302.db2.gz SGVNWNWSEZRGNA-BHBYDHKZSA-N 2 0 595.804 4.238 50 0 KIAARP CCC[NH+](CCC)C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[NH+](CCC)CCC)cc2)cc1 ZINC000101413372 554764491 /nfs/dbraw/zinc/76/44/91/554764491.db2.gz KWWXKVKYABLEJV-WMPKNSHKSA-N 2 0 564.789 4.243 50 0 KIAARP CCC[NH+](CCC)C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[NH+](CCC)CCC)cc2)cc1 ZINC000101413374 554764430 /nfs/dbraw/zinc/76/44/30/554764430.db2.gz KWWXKVKYABLEJV-CLJLJLNGSA-N 2 0 564.789 4.243 50 0 KIAARP CCC[NH+](CCC)C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[NH+](CCC)CCC)cc2)cc1 ZINC000101413375 554764390 /nfs/dbraw/zinc/76/43/90/554764390.db2.gz KWWXKVKYABLEJV-UIOOFZCWSA-N 2 0 564.789 4.243 50 0 KIAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]C/C(C)=C/c3ccccc3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102076531 1064282748 /nfs/dbraw/zinc/28/27/48/1064282748.db2.gz SJLROMHVNFMKHA-YAUCXPJVSA-N 2 0 532.729 4.084 50 0 KIAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(OC)c4ccccc34)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102134220 1064284735 /nfs/dbraw/zinc/28/47/35/1064284735.db2.gz NMKJKXVRSZCODB-YZNIXAGQSA-N 2 0 572.750 4.343 50 0 KIAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc4ccccc4c3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102153336 1064284328 /nfs/dbraw/zinc/28/43/28/1064284328.db2.gz CGXMIJAIVDYWKX-JDXGNMNLSA-N 2 0 542.724 4.334 50 0 KIAARP COc1ccc(C[N@H+]2C[C@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102526335 554952128 /nfs/dbraw/zinc/95/21/28/554952128.db2.gz XWNSORQMHNPJCF-HNPKZYAISA-N 2 0 535.729 4.310 50 0 KIAARP COc1ccc(C[N@H+]2C[C@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102526339 554952228 /nfs/dbraw/zinc/95/22/28/554952228.db2.gz XWNSORQMHNPJCF-VCTRFXNDSA-N 2 0 535.729 4.310 50 0 KIAARP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(C/C=C/c3ccccc3)C2)CC1 ZINC000102677231 1064287342 /nfs/dbraw/zinc/28/73/42/1064287342.db2.gz CEEWFKUFESEHSK-HERSFQOFSA-N 2 0 546.756 4.209 50 0 KIAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102706315 1064288447 /nfs/dbraw/zinc/28/84/47/1064288447.db2.gz BVIZGXRKVGQZDE-AHWVRZQESA-N 2 0 560.661 4.200 50 0 KIAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]C/C(Cl)=C/c3ccccc3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102706677 1064289127 /nfs/dbraw/zinc/28/91/27/1064289127.db2.gz ZTUKGEQPGWPZKN-LUEJTHLKSA-N 2 0 553.147 4.261 50 0 KIAARP C[NH2+]CNC(=O)Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)NC[NH2+]C)cc3)c(F)c2F)cc1 ZINC000102926064 555150412 /nfs/dbraw/zinc/15/04/12/555150412.db2.gz WUHLWWVTDMCNFY-UHFFFAOYSA-N 2 0 536.486 4.424 50 0 KIAARP O=C1C[C@@H]([NH2+]C2CCCCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000103128922 555297233 /nfs/dbraw/zinc/29/72/33/555297233.db2.gz QRLQFLACYYHCHT-CLJLJLNGSA-N 2 0 522.690 4.355 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104920785 571388037 /nfs/dbraw/zinc/38/80/37/571388037.db2.gz FCDOLTPCNOPQPX-XNMGPUDCSA-N 2 0 530.635 4.049 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104920788 571387983 /nfs/dbraw/zinc/38/79/83/571387983.db2.gz FCDOLTPCNOPQPX-AHKZPQOWSA-N 2 0 530.635 4.049 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920874 571387962 /nfs/dbraw/zinc/38/79/62/571387962.db2.gz MSLQZAASJKLDBH-XNMGPUDCSA-N 2 0 514.636 4.213 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920877 571387935 /nfs/dbraw/zinc/38/79/35/571387935.db2.gz MSLQZAASJKLDBH-AHKZPQOWSA-N 2 0 514.636 4.213 50 0 KIAARP C[NH+]1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000105985690 571409918 /nfs/dbraw/zinc/40/99/18/571409918.db2.gz WYQJWGRELGSIKW-UHFFFAOYSA-N 2 0 632.765 4.360 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677278 571554872 /nfs/dbraw/zinc/55/48/72/571554872.db2.gz FCDOLTPCNOPQPX-VPUSJEBWSA-N 2 0 530.635 4.049 50 0 KIAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677726 571555367 /nfs/dbraw/zinc/55/53/67/571555367.db2.gz MSLQZAASJKLDBH-VPUSJEBWSA-N 2 0 514.636 4.213 50 0 KIAARP c1ccc([Si](c2ccccc2)(c2ccccc2)[NH+]2CCC[N@@H+]([Si](c3ccccc3)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000198750185 571568894 /nfs/dbraw/zinc/56/88/94/571568894.db2.gz FQSRCXIPROSDKF-UHFFFAOYSA-N 2 0 616.957 4.328 50 0 KIAARP CC1(C)CC(NS(=O)(=O)c2cccc3c2cccc3S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000225543341 571908224 /nfs/dbraw/zinc/90/82/24/571908224.db2.gz YZFYRMYOTCARRD-UHFFFAOYSA-N 2 0 564.818 4.015 50 0 KIAARP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]C[C@H](O)c1cccc2c1OCC(=O)N2)C1CCCCC1 ZINC000230499113 572187050 /nfs/dbraw/zinc/18/70/50/572187050.db2.gz WVRBXBROEPXZHF-SANMLTNESA-N 2 0 577.553 4.331 50 0 in-vitro KIAARP CC[NH+](CC)CCCNC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)NCCC[NH+](CC)CC)[C@H]1c1ccccc1 ZINC000245253602 572221544 /nfs/dbraw/zinc/22/15/44/572221544.db2.gz IYZPSUJHWSHYPW-MFTFOIIESA-N 2 0 520.762 4.496 50 0 KIAARP C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCCC[NH+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299788152 572137443 /nfs/dbraw/zinc/13/74/43/572137443.db2.gz QKRDIAJMXJPBCP-HKBQPEDESA-N 2 0 529.729 4.264 50 0 KIAARP C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCCC[NH+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299788158 572137340 /nfs/dbraw/zinc/13/73/40/572137340.db2.gz QKRDIAJMXJPBCP-WJOKGBTCSA-N 2 0 529.729 4.264 50 0 KIAARP