smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)c1 ZINC000022913104 525914090 /nfs/dbraw/zinc/91/40/90/525914090.db2.gz YPUFZWASGDXFNA-QFIPXVFZSA-N 1 3 443.588 2.323 50 0 IEAAHO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)c1 ZINC000022913104 525914106 /nfs/dbraw/zinc/91/41/06/525914106.db2.gz YPUFZWASGDXFNA-QFIPXVFZSA-N 1 3 443.588 2.323 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011873197 556369393 /nfs/dbraw/zinc/36/93/93/556369393.db2.gz GESCTOBBSCDJHE-FQEVSTJZSA-N 1 3 435.565 2.241 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011873197 556369398 /nfs/dbraw/zinc/36/93/98/556369398.db2.gz GESCTOBBSCDJHE-FQEVSTJZSA-N 1 3 435.565 2.241 50 0 IEAAHO COc1ccc(CNCCN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000020207897 556998378 /nfs/dbraw/zinc/99/83/78/556998378.db2.gz HXHZUFWPABFUDQ-JOCHJYFZSA-N 1 3 435.609 2.123 50 0 IEAAHO COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CC[NH+](C2CCC2)CC3)cc1 ZINC000014534461 568781505 /nfs/dbraw/zinc/78/15/05/568781505.db2.gz OGEPBRHZOYCDDD-UHFFFAOYSA-N 1 3 428.577 2.451 50 0 IEAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCN(c3ccncc3)CC2)ccc1OC ZINC000012719072 520723085 /nfs/dbraw/zinc/72/30/85/520723085.db2.gz SQXPEUBSWGLYFH-JOCHJYFZSA-N 1 3 428.577 2.494 50 0 IEAAHO COc1cc(C[NH2+]CCCc2scnc2C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012570396 522449997 /nfs/dbraw/zinc/44/99/97/522449997.db2.gz ZUCLWFWRXJJECV-HXUWFJFHSA-N 1 3 449.617 2.379 50 0 IEAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCN(C=O)CC3)CC2)CC1 ZINC000012455672 525137799 /nfs/dbraw/zinc/13/77/99/525137799.db2.gz CHRKZOKPZABXFH-UHFFFAOYSA-N 1 3 426.605 2.362 50 0 IEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[NH2+]CCc2ccccc2F)c1 ZINC000015065732 556492692 /nfs/dbraw/zinc/49/26/92/556492692.db2.gz YZSDLWUKUHRYKB-NRFANRHFSA-N 1 3 432.536 2.363 50 0 IEAAHO CCCn1ncc(CN2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1C ZINC000022918986 521672348 /nfs/dbraw/zinc/67/23/48/521672348.db2.gz YALYYDLVJVCBBQ-JWQCQUIFSA-N 1 3 425.621 2.397 50 0 IEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[NH2+]CCc2ccccc2F)c1 ZINC000015065733 556492783 /nfs/dbraw/zinc/49/27/83/556492783.db2.gz YZSDLWUKUHRYKB-OAQYLSRUSA-N 1 3 432.536 2.363 50 0 IEAAHO CCOC(=O)N1CCC(NCc2ccc(OC)cc2OC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000012595026 520932552 /nfs/dbraw/zinc/93/25/52/520932552.db2.gz AQNJUAQALMILSY-FQEVSTJZSA-N 1 3 435.565 2.241 50 0 IEAAHO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(OC)c3)cc2OC)CC1 ZINC000020776488 521687295 /nfs/dbraw/zinc/68/72/95/521687295.db2.gz HNRYTFFGTBLGRJ-QFIPXVFZSA-N 1 3 443.588 2.371 50 0 IEAAHO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000020540051 522456890 /nfs/dbraw/zinc/45/68/90/522456890.db2.gz FMUNNCWHYJAAEP-OAQYLSRUSA-N 1 3 432.536 2.363 50 0 IEAAHO CN1CCCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012316014 523790595 /nfs/dbraw/zinc/79/05/95/523790595.db2.gz JHKMNJQNJBRQAM-QHCPKHFHSA-N 1 3 441.620 2.275 50 0 IEAAHO COc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)c1 ZINC000022913108 525914510 /nfs/dbraw/zinc/91/45/10/525914510.db2.gz YPUFZWASGDXFNA-JOCHJYFZSA-N 1 3 443.588 2.323 50 0 IEAAHO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)c1 ZINC000022913108 525914522 /nfs/dbraw/zinc/91/45/22/525914522.db2.gz YPUFZWASGDXFNA-JOCHJYFZSA-N 1 3 443.588 2.323 50 0 IEAAHO CCOC[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015064582 556492155 /nfs/dbraw/zinc/49/21/55/556492155.db2.gz UCEZJZLVNXYLQC-DEOSSOPVSA-N 1 3 431.621 2.309 50 0 IEAAHO Cc1nc(C(=O)NCCN2CCC([NH+]3CCCCC3)CC2)c(C)n1C1CCN(C)CC1 ZINC000065257285 569123400 /nfs/dbraw/zinc/12/34/00/569123400.db2.gz KFQNRFRXDHUEEB-UHFFFAOYSA-N 1 3 430.641 2.447 50 0 IEAAHO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000020540049 522455709 /nfs/dbraw/zinc/45/57/09/522455709.db2.gz FMUNNCWHYJAAEP-NRFANRHFSA-N 1 3 432.536 2.363 50 0 IEAAHO CCOC[C@H](O)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015064583 556492088 /nfs/dbraw/zinc/49/20/88/556492088.db2.gz UCEZJZLVNXYLQC-XMMPIXPASA-N 1 3 431.621 2.309 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3cccc(N4CCN[C@H](c5ccccc5)C4)n3)CC2)CC1 ZINC000065256329 569123248 /nfs/dbraw/zinc/12/32/48/569123248.db2.gz FTRYJMMFEPJRCS-DEOSSOPVSA-N 1 3 448.615 2.085 50 0 IEAAHO O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000013388257 569315318 /nfs/dbraw/zinc/31/53/18/569315318.db2.gz IEWZFJUOTRWATK-PMACEKPBSA-N 1 3 438.528 2.015 50 0 IEAAHO CCN1CCN(CCNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(OC)cc34)CC2)CC1 ZINC000035562268 521682381 /nfs/dbraw/zinc/68/23/81/521682381.db2.gz VJWIXTDFVCHDNH-UHFFFAOYSA-N 1 3 441.620 2.153 50 0 IEAAHO CN1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012316013 523791305 /nfs/dbraw/zinc/79/13/05/523791305.db2.gz JHKMNJQNJBRQAM-HSZRJFAPSA-N 1 3 441.620 2.275 50 0 IEAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012194470 524022984 /nfs/dbraw/zinc/02/29/84/524022984.db2.gz ZQWIXFXMDZLLJU-QFIPXVFZSA-N 1 3 441.572 2.264 50 0 IEAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012194470 524022989 /nfs/dbraw/zinc/02/29/89/524022989.db2.gz ZQWIXFXMDZLLJU-QFIPXVFZSA-N 1 3 441.572 2.264 50 0 IEAAHO COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCC[NH+](C)C)C(=O)N2CCc1ccccc1 ZINC000014745006 556440722 /nfs/dbraw/zinc/44/07/22/556440722.db2.gz ILWPYRWSPMMRAH-HXUWFJFHSA-N 1 3 430.593 2.315 50 0 IEAAHO COc1ccc(CNCCN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000020207892 556998188 /nfs/dbraw/zinc/99/81/88/556998188.db2.gz HXHZUFWPABFUDQ-QFIPXVFZSA-N 1 3 435.609 2.123 50 0 IEAAHO COc1cc(C[NH2+]CCCc2scnc2C)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012570391 522450909 /nfs/dbraw/zinc/45/09/09/522450909.db2.gz ZUCLWFWRXJJECV-FQEVSTJZSA-N 1 3 449.617 2.379 50 0 IEAAHO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)c1 ZINC000020779394 524061092 /nfs/dbraw/zinc/06/10/92/524061092.db2.gz CDEVMLBMEAPTPY-QFIPXVFZSA-N 1 3 430.593 2.174 50 0 IEAAHO COc1cccc(CC[NH2+]Cc2ccc(OC[C@H](O)CN3CCC(O)CC3)c(OC)c2)c1 ZINC000012300423 525900679 /nfs/dbraw/zinc/90/06/79/525900679.db2.gz OICDOIVMMNXDPB-JOCHJYFZSA-N 1 3 444.572 2.233 50 0 IEAAHO COC[C@H](C)N1CCC2(CC1)C(=O)N(CCC[NH+](C)C)C(=O)N2CCc1ccccc1 ZINC000014745007 556440715 /nfs/dbraw/zinc/44/07/15/556440715.db2.gz ILWPYRWSPMMRAH-FQEVSTJZSA-N 1 3 430.593 2.315 50 0 IEAAHO CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014748855 556442404 /nfs/dbraw/zinc/44/24/04/556442404.db2.gz FUJREFNYDIBKRH-RCZVLFRGSA-N 1 3 438.616 2.288 50 0 IEAAHO CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014748855 556442405 /nfs/dbraw/zinc/44/24/05/556442405.db2.gz FUJREFNYDIBKRH-RCZVLFRGSA-N 1 3 438.616 2.288 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012763360 522449950 /nfs/dbraw/zinc/44/99/50/522449950.db2.gz YVMNGWWWRMQHPX-FQEVSTJZSA-N 1 3 435.565 2.243 50 0 IEAAHO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000020514256 524005376 /nfs/dbraw/zinc/00/53/76/524005376.db2.gz OCJJHKZUNLPZTP-HSZRJFAPSA-N 1 3 442.604 2.408 50 0 IEAAHO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020514256 524005379 /nfs/dbraw/zinc/00/53/79/524005379.db2.gz OCJJHKZUNLPZTP-HSZRJFAPSA-N 1 3 442.604 2.408 50 0 IEAAHO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000022851422 524007582 /nfs/dbraw/zinc/00/75/82/524007582.db2.gz QJSPGGPULOFHEM-QFIPXVFZSA-N 1 3 428.577 2.099 50 0 IEAAHO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000022851422 524007583 /nfs/dbraw/zinc/00/75/83/524007583.db2.gz QJSPGGPULOFHEM-QFIPXVFZSA-N 1 3 428.577 2.099 50 0 IEAAHO COc1ccc(CNCCN2CCC(O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000023375541 524070514 /nfs/dbraw/zinc/07/05/14/524070514.db2.gz BXQDNSJYZMEIIO-QHCPKHFHSA-N 1 3 449.636 2.247 50 0 IEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000020451085 524972042 /nfs/dbraw/zinc/97/20/42/524972042.db2.gz NOFRZTNAGBWGCD-HSZRJFAPSA-N 1 3 426.557 2.149 50 0 IEAAHO COc1ccc(CNCCN2CCC(O)CC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000023375543 557088612 /nfs/dbraw/zinc/08/86/12/557088612.db2.gz BXQDNSJYZMEIIO-HSZRJFAPSA-N 1 3 449.636 2.247 50 0 IEAAHO CCOC(=O)N1CCC(NCc2ccc(OC)cc2OC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000012595031 520931073 /nfs/dbraw/zinc/93/10/73/520931073.db2.gz AQNJUAQALMILSY-HXUWFJFHSA-N 1 3 435.565 2.241 50 0 IEAAHO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014535722 556423185 /nfs/dbraw/zinc/42/31/85/556423185.db2.gz UDICZMKOBCESMD-UHFFFAOYSA-N 1 3 436.940 2.249 50 0 IEAAHO O=C1C[C@@H](NC2CCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000100580998 556627382 /nfs/dbraw/zinc/62/73/82/556627382.db2.gz IEWZFJUOTRWATK-WOJBJXKFSA-N 1 3 438.528 2.015 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3ccnc(N4CCN[C@@H](c5ccccc5)C4)c3)CC2)CC1 ZINC000065255996 569123048 /nfs/dbraw/zinc/12/30/48/569123048.db2.gz SELORAQCWSPRQA-XMMPIXPASA-N 1 3 448.615 2.085 50 0 IEAAHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000170591528 569140797 /nfs/dbraw/zinc/14/07/97/569140797.db2.gz BMHMHWFHDBVMTE-LJQANCHMSA-N 1 3 426.565 2.033 50 0 IEAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCC1=O ZINC000012457760 521749482 /nfs/dbraw/zinc/74/94/82/521749482.db2.gz XWNBZNJRIQEWGX-FQEVSTJZSA-N 1 3 432.584 2.440 50 0 IEAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012194478 524022826 /nfs/dbraw/zinc/02/28/26/524022826.db2.gz ZQWIXFXMDZLLJU-JOCHJYFZSA-N 1 3 441.572 2.264 50 0 IEAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012194478 524022831 /nfs/dbraw/zinc/02/28/31/524022831.db2.gz ZQWIXFXMDZLLJU-JOCHJYFZSA-N 1 3 441.572 2.264 50 0 IEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000020451083 524967710 /nfs/dbraw/zinc/96/77/10/524967710.db2.gz NOFRZTNAGBWGCD-QHCPKHFHSA-N 1 3 426.557 2.149 50 0 IEAAHO COc1cccc(CC[NH2+]Cc2ccc(OC[C@@H](O)CN3CCC(O)CC3)c(OC)c2)c1 ZINC000012300421 525901846 /nfs/dbraw/zinc/90/18/46/525901846.db2.gz OICDOIVMMNXDPB-QFIPXVFZSA-N 1 3 444.572 2.233 50 0 IEAAHO CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000012001683 556385930 /nfs/dbraw/zinc/38/59/30/556385930.db2.gz XEJZIHAKVNGYNC-QFIPXVFZSA-N 1 3 438.620 2.493 50 0 IEAAHO CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)cc1 ZINC000012001683 556385931 /nfs/dbraw/zinc/38/59/31/556385931.db2.gz XEJZIHAKVNGYNC-QFIPXVFZSA-N 1 3 438.620 2.493 50 0 IEAAHO CCn1c2c(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cnn2c(=O)c2c1CCNC2 ZINC000064966204 569001158 /nfs/dbraw/zinc/00/11/58/569001158.db2.gz WACQUDPGRRLTOR-UHFFFAOYSA-N 1 3 434.544 2.400 50 0 IEAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCC1=O ZINC000012457759 521748328 /nfs/dbraw/zinc/74/83/28/521748328.db2.gz XWNBZNJRIQEWGX-HXUWFJFHSA-N 1 3 432.584 2.440 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012763367 522449927 /nfs/dbraw/zinc/44/99/27/522449927.db2.gz YVMNGWWWRMQHPX-HXUWFJFHSA-N 1 3 435.565 2.243 50 0 IEAAHO O=c1n(C[C@H](O)CN2CCCCCC2)c2ccccc2n1C[C@H](O)C[NH+]1CCCCCC1 ZINC000013511416 556510297 /nfs/dbraw/zinc/51/02/97/556510297.db2.gz BSUSMYWZSLCNQN-FGZHOGPDSA-N 1 3 444.620 2.277 50 0 IEAAHO O=c1n(C[C@@H](O)CN2CCCCCC2)c2ccccc2n1C[C@@H](O)C[NH+]1CCCCCC1 ZINC000008926105 569487252 /nfs/dbraw/zinc/48/72/52/569487252.db2.gz BSUSMYWZSLCNQN-VXKWHMMOSA-N 1 3 444.620 2.277 50 0 IEAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCN(c3ccncc3)CC2)ccc1OC ZINC000012719073 520737626 /nfs/dbraw/zinc/73/76/26/520737626.db2.gz SQXPEUBSWGLYFH-QFIPXVFZSA-N 1 3 428.577 2.494 50 0 IEAAHO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(OC)c3)cc2OC)CC1 ZINC000020776485 521684526 /nfs/dbraw/zinc/68/45/26/521684526.db2.gz HNRYTFFGTBLGRJ-JOCHJYFZSA-N 1 3 443.588 2.371 50 0 IEAAHO CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000012001676 556385914 /nfs/dbraw/zinc/38/59/14/556385914.db2.gz XEJZIHAKVNGYNC-JOCHJYFZSA-N 1 3 438.620 2.493 50 0 IEAAHO CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)cc1 ZINC000012001676 556385916 /nfs/dbraw/zinc/38/59/16/556385916.db2.gz XEJZIHAKVNGYNC-JOCHJYFZSA-N 1 3 438.620 2.493 50 0 IEAAHO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)CN(Cc3ccncc3)C2)cn1 ZINC000014531979 556420982 /nfs/dbraw/zinc/42/09/82/556420982.db2.gz AUEPTXZUCYDAGA-FCHUYYIVSA-N 1 3 425.577 2.370 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3ccc(N4CCN[C@@H](c5ccccc5)C4)nc3)CC2)CC1 ZINC000065256161 569123201 /nfs/dbraw/zinc/12/32/01/569123201.db2.gz LDJONDMODZOCKH-XMMPIXPASA-N 1 3 448.615 2.085 50 0 IEAAHO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020514252 524005748 /nfs/dbraw/zinc/00/57/48/524005748.db2.gz OCJJHKZUNLPZTP-QHCPKHFHSA-N 1 3 442.604 2.408 50 0 IEAAHO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020514252 524005753 /nfs/dbraw/zinc/00/57/53/524005753.db2.gz OCJJHKZUNLPZTP-QHCPKHFHSA-N 1 3 442.604 2.408 50 0 IEAAHO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)[C@H]3CCCCN3C)CC2)c1 ZINC000020779398 524061397 /nfs/dbraw/zinc/06/13/97/524061397.db2.gz CDEVMLBMEAPTPY-JOCHJYFZSA-N 1 3 430.593 2.174 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011873198 556369587 /nfs/dbraw/zinc/36/95/87/556369587.db2.gz GESCTOBBSCDJHE-HXUWFJFHSA-N 1 3 435.565 2.241 50 0 IEAAHO COc1cc(CNCCN2CCOC2=O)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011873198 556369591 /nfs/dbraw/zinc/36/95/91/556369591.db2.gz GESCTOBBSCDJHE-HXUWFJFHSA-N 1 3 435.565 2.241 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3ccnc(N4CCN[C@H](c5ccccc5)C4)c3)CC2)CC1 ZINC000065255995 569122961 /nfs/dbraw/zinc/12/29/61/569122961.db2.gz SELORAQCWSPRQA-DEOSSOPVSA-N 1 3 448.615 2.085 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3cccc(N4CCN[C@@H](c5ccccc5)C4)n3)CC2)CC1 ZINC000065256330 569123122 /nfs/dbraw/zinc/12/31/22/569123122.db2.gz FTRYJMMFEPJRCS-XMMPIXPASA-N 1 3 448.615 2.085 50 0 IEAAHO C[NH+]1CCC(N2CCN(C(=O)c3ccc(N4CCN[C@H](c5ccccc5)C4)nc3)CC2)CC1 ZINC000065256160 569123126 /nfs/dbraw/zinc/12/31/26/569123126.db2.gz LDJONDMODZOCKH-DEOSSOPVSA-N 1 3 448.615 2.085 50 0 IEAAHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000170591529 569140801 /nfs/dbraw/zinc/14/08/01/569140801.db2.gz BMHMHWFHDBVMTE-IBGZPJMESA-N 1 3 426.565 2.033 50 0 IEAAHO