smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101239 536372046 /nfs/dbraw/zinc/37/20/46/536372046.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101239 536372043 /nfs/dbraw/zinc/37/20/43/536372043.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H]1CNC(=O)[C@]1(CC(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101250 243297373 /nfs/dbraw/zinc/29/73/73/243297373.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H]1CNC(=O)[C@]1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000262101250 243297366 /nfs/dbraw/zinc/29/73/66/243297366.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 2 3 365.522 -0.223 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000467779548 484664323 /nfs/dbraw/zinc/66/43/23/484664323.db2.gz BMRQIGCMKQLNGI-LXTVHRRPSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000467779548 484664319 /nfs/dbraw/zinc/66/43/19/484664319.db2.gz BMRQIGCMKQLNGI-LXTVHRRPSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000467779548 484664313 /nfs/dbraw/zinc/66/43/13/484664313.db2.gz BMRQIGCMKQLNGI-LXTVHRRPSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000467779548 484664308 /nfs/dbraw/zinc/66/43/08/484664308.db2.gz BMRQIGCMKQLNGI-LXTVHRRPSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000467779549 484663213 /nfs/dbraw/zinc/66/32/13/484663213.db2.gz BMRQIGCMKQLNGI-NMWPEEMBSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000467779549 484663206 /nfs/dbraw/zinc/66/32/06/484663206.db2.gz BMRQIGCMKQLNGI-NMWPEEMBSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000467779549 484663200 /nfs/dbraw/zinc/66/32/00/484663200.db2.gz BMRQIGCMKQLNGI-NMWPEEMBSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000467779549 484663193 /nfs/dbraw/zinc/66/31/93/484663193.db2.gz BMRQIGCMKQLNGI-NMWPEEMBSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000467779550 484663098 /nfs/dbraw/zinc/66/30/98/484663098.db2.gz BMRQIGCMKQLNGI-TUVASFSCSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000467779550 484663093 /nfs/dbraw/zinc/66/30/93/484663093.db2.gz BMRQIGCMKQLNGI-TUVASFSCSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000467779550 484663086 /nfs/dbraw/zinc/66/30/86/484663086.db2.gz BMRQIGCMKQLNGI-TUVASFSCSA-N 2 3 362.526 -0.032 20 0 FBADHP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000467779550 484663083 /nfs/dbraw/zinc/66/30/83/484663083.db2.gz BMRQIGCMKQLNGI-TUVASFSCSA-N 2 3 362.526 -0.032 20 0 FBADHP CC1(C)CN(C(=O)C[C@@]2(C(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971040 484249258 /nfs/dbraw/zinc/24/92/58/484249258.db2.gz SSMMYWBZJDEKIL-IBGZPJMESA-N 2 3 365.522 -0.223 20 0 FBADHP CC1(C)CN(C(=O)[C@]2(CC(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971040 484249252 /nfs/dbraw/zinc/24/92/52/484249252.db2.gz SSMMYWBZJDEKIL-IBGZPJMESA-N 2 3 365.522 -0.223 20 0 FBADHP CC1(C)CN(C(=O)C[C@]2(C(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971103 484249009 /nfs/dbraw/zinc/24/90/09/484249009.db2.gz SSMMYWBZJDEKIL-LJQANCHMSA-N 2 3 365.522 -0.223 20 0 FBADHP CC1(C)CN(C(=O)[C@@]2(CC(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971103 484249004 /nfs/dbraw/zinc/24/90/04/484249004.db2.gz SSMMYWBZJDEKIL-LJQANCHMSA-N 2 3 365.522 -0.223 20 0 FBADHP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118200 483760959 /nfs/dbraw/zinc/76/09/59/483760959.db2.gz QQNDKRZMZQRDDJ-INIZCTEOSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118200 483760958 /nfs/dbraw/zinc/76/09/58/483760958.db2.gz QQNDKRZMZQRDDJ-INIZCTEOSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000518118200 483760955 /nfs/dbraw/zinc/76/09/55/483760955.db2.gz QQNDKRZMZQRDDJ-INIZCTEOSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000518118200 483760953 /nfs/dbraw/zinc/76/09/53/483760953.db2.gz QQNDKRZMZQRDDJ-INIZCTEOSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118201 483760810 /nfs/dbraw/zinc/76/08/10/483760810.db2.gz QQNDKRZMZQRDDJ-MRXNPFEDSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118201 483760806 /nfs/dbraw/zinc/76/08/06/483760806.db2.gz QQNDKRZMZQRDDJ-MRXNPFEDSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000518118201 483760805 /nfs/dbraw/zinc/76/08/05/483760805.db2.gz QQNDKRZMZQRDDJ-MRXNPFEDSA-N 2 3 355.527 -0.262 20 0 FBADHP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000518118201 483760802 /nfs/dbraw/zinc/76/08/02/483760802.db2.gz QQNDKRZMZQRDDJ-MRXNPFEDSA-N 2 3 355.527 -0.262 20 0 FBADHP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000520752037 484288367 /nfs/dbraw/zinc/28/83/67/484288367.db2.gz QOVISPDNQFPKAA-UHFFFAOYSA-N 2 3 355.527 -0.073 20 0 FBADHP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000536986127 485231693 /nfs/dbraw/zinc/23/16/93/485231693.db2.gz OYEDOJGJHZUSBT-GASCZTMLSA-N 2 3 362.526 -0.314 20 0 FBADHP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000536986127 485231689 /nfs/dbraw/zinc/23/16/89/485231689.db2.gz OYEDOJGJHZUSBT-GASCZTMLSA-N 2 3 362.526 -0.314 20 0 FBADHP CNc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536986127 485231684 /nfs/dbraw/zinc/23/16/84/485231684.db2.gz OYEDOJGJHZUSBT-GASCZTMLSA-N 2 3 362.526 -0.314 20 0 FBADHP CNc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536986127 485231679 /nfs/dbraw/zinc/23/16/79/485231679.db2.gz OYEDOJGJHZUSBT-GASCZTMLSA-N 2 3 362.526 -0.314 20 0 FBADHP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)cc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000555962029 484461353 /nfs/dbraw/zinc/46/13/53/484461353.db2.gz WTTPCLFRHTXURW-CALCHBBNSA-N 2 3 354.499 0.234 20 0 FBADHP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)cc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000555962038 484460368 /nfs/dbraw/zinc/46/03/68/484460368.db2.gz WTTPCLFRHTXURW-IAGOWNOFSA-N 2 3 354.499 0.234 20 0 FBADHP Cc1nc(NC[C@](C)(O)C[NH+](C)C)cc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000555962039 484461142 /nfs/dbraw/zinc/46/11/42/484461142.db2.gz WTTPCLFRHTXURW-IRXDYDNUSA-N 2 3 354.499 0.234 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563647540 484182419 /nfs/dbraw/zinc/18/24/19/484182419.db2.gz IOTODPHIBWLQLS-ARFHVFGLSA-N 2 3 353.511 -0.558 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563647566 484182030 /nfs/dbraw/zinc/18/20/30/484182030.db2.gz IOTODPHIBWLQLS-BZUAXINKSA-N 2 3 353.511 -0.558 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563647567 484181833 /nfs/dbraw/zinc/18/18/33/484181833.db2.gz IOTODPHIBWLQLS-HRCADAONSA-N 2 3 353.511 -0.558 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563647570 484182465 /nfs/dbraw/zinc/18/24/65/484182465.db2.gz IOTODPHIBWLQLS-OWCLPIDISA-N 2 3 353.511 -0.558 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000564825317 485157650 /nfs/dbraw/zinc/15/76/50/485157650.db2.gz YEPTTXJTFRXOKG-ARFHVFGLSA-N 2 3 353.511 -0.476 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000564825318 485157623 /nfs/dbraw/zinc/15/76/23/485157623.db2.gz YEPTTXJTFRXOKG-HRCADAONSA-N 2 3 353.511 -0.476 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000564825319 485157360 /nfs/dbraw/zinc/15/73/60/485157360.db2.gz YEPTTXJTFRXOKG-JYJNAYRXSA-N 2 3 353.511 -0.476 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000564825320 485158078 /nfs/dbraw/zinc/15/80/78/485158078.db2.gz YEPTTXJTFRXOKG-XHSDSOJGSA-N 2 3 353.511 -0.476 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974678 485162556 /nfs/dbraw/zinc/16/25/56/485162556.db2.gz FWSHZYMOUBCKRS-BBWFWOEESA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974678 485162550 /nfs/dbraw/zinc/16/25/50/485162550.db2.gz FWSHZYMOUBCKRS-BBWFWOEESA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974679 485162473 /nfs/dbraw/zinc/16/24/73/485162473.db2.gz FWSHZYMOUBCKRS-BRWVUGGUSA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974679 485162470 /nfs/dbraw/zinc/16/24/70/485162470.db2.gz FWSHZYMOUBCKRS-BRWVUGGUSA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974680 485162241 /nfs/dbraw/zinc/16/22/41/485162241.db2.gz FWSHZYMOUBCKRS-GVDBMIGSSA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974680 485162237 /nfs/dbraw/zinc/16/22/37/485162237.db2.gz FWSHZYMOUBCKRS-GVDBMIGSSA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974681 485162191 /nfs/dbraw/zinc/16/21/91/485162191.db2.gz FWSHZYMOUBCKRS-ZACQAIPSSA-N 2 3 365.522 -0.236 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974681 485162185 /nfs/dbraw/zinc/16/21/85/485162185.db2.gz FWSHZYMOUBCKRS-ZACQAIPSSA-N 2 3 365.522 -0.236 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566090457 485203520 /nfs/dbraw/zinc/20/35/20/485203520.db2.gz XWQVOULCIWICNL-GOSISDBHSA-N 2 3 353.511 -0.460 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566090458 485203239 /nfs/dbraw/zinc/20/32/39/485203239.db2.gz XWQVOULCIWICNL-SFHVURJKSA-N 2 3 353.511 -0.460 20 0 FBADHP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@@H](C)N1 ZINC000566247108 485209796 /nfs/dbraw/zinc/20/97/96/485209796.db2.gz XARVAYOMEFDUGE-MZZPOWALSA-N 2 3 365.522 -0.226 20 0 FBADHP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)N[C@@H](C)C3)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000566247108 485209792 /nfs/dbraw/zinc/20/97/92/485209792.db2.gz XARVAYOMEFDUGE-MZZPOWALSA-N 2 3 365.522 -0.226 20 0 FBADHP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@H](C)N1 ZINC000566247109 485210101 /nfs/dbraw/zinc/21/01/01/485210101.db2.gz XARVAYOMEFDUGE-ZHEXZJMTSA-N 2 3 365.522 -0.226 20 0 FBADHP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)N[C@@H](C)C3)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000566247109 485210096 /nfs/dbraw/zinc/21/00/96/485210096.db2.gz XARVAYOMEFDUGE-ZHEXZJMTSA-N 2 3 365.522 -0.226 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889918 485272007 /nfs/dbraw/zinc/27/20/07/485272007.db2.gz JWZOORKILNBBBU-KRWDZBQOSA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889919 485271809 /nfs/dbraw/zinc/27/18/09/485271809.db2.gz JWZOORKILNBBBU-QGZVFWFLSA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000569918778 484149557 /nfs/dbraw/zinc/14/95/57/484149557.db2.gz RETBTEPLBKQUMU-UHFFFAOYSA-N 2 3 355.527 -0.073 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572111823 484918245 /nfs/dbraw/zinc/91/82/45/484918245.db2.gz XAFZOHOTUVPHBN-UHFFFAOYSA-N 2 3 367.538 -0.070 20 0 FBADHP CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000572712966 484068025 /nfs/dbraw/zinc/06/80/25/484068025.db2.gz TZUIUOFFZGARCA-UHFFFAOYSA-N 2 3 355.527 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000574443300 483973665 /nfs/dbraw/zinc/97/36/65/483973665.db2.gz SKOLLSBARJSDNC-UHFFFAOYSA-N 2 3 353.511 -0.460 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000576802631 484080430 /nfs/dbraw/zinc/08/04/30/484080430.db2.gz JHXCHAGLTUVSDR-KRWDZBQOSA-N 2 3 367.538 -0.118 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000576802632 484080347 /nfs/dbraw/zinc/08/03/47/484080347.db2.gz JHXCHAGLTUVSDR-QGZVFWFLSA-N 2 3 367.538 -0.118 20 0 FBADHP C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000578858117 484230744 /nfs/dbraw/zinc/23/07/44/484230744.db2.gz UBBSTGYRNWNWFX-UHFFFAOYSA-N 2 3 355.527 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946619 484301897 /nfs/dbraw/zinc/30/18/97/484301897.db2.gz XVMAILSMFSCVBL-DLBZAZTESA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946620 484302035 /nfs/dbraw/zinc/30/20/35/484302035.db2.gz XVMAILSMFSCVBL-IAGOWNOFSA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946621 484302880 /nfs/dbraw/zinc/30/28/80/484302880.db2.gz XVMAILSMFSCVBL-IRXDYDNUSA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946622 484302076 /nfs/dbraw/zinc/30/20/76/484302076.db2.gz XVMAILSMFSCVBL-SJORKVTESA-N 2 3 367.538 -0.214 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584047410 483581105 /nfs/dbraw/zinc/58/11/05/483581105.db2.gz WVPSCCUKTLYFDO-KRWDZBQOSA-N 2 3 367.538 -0.071 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584047411 483580526 /nfs/dbraw/zinc/58/05/26/483580526.db2.gz WVPSCCUKTLYFDO-QGZVFWFLSA-N 2 3 367.538 -0.071 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796112 484433799 /nfs/dbraw/zinc/43/37/99/484433799.db2.gz OQQDLMYLOQMITK-HDICACEKSA-N 2 3 353.511 -0.604 20 0 FBADHP CN1CCC[C@H]1CNC(=O)[C@]1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730600 483872372 /nfs/dbraw/zinc/87/23/72/483872372.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H]1CNC(=O)[C@]1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730600 483872370 /nfs/dbraw/zinc/87/23/70/483872370.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730601 483872407 /nfs/dbraw/zinc/87/24/07/483872407.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]C1 ZINC000638730601 483872404 /nfs/dbraw/zinc/87/24/04/483872404.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 2 3 365.522 -0.223 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643509526 485318125 /nfs/dbraw/zinc/31/81/25/485318125.db2.gz IPFUPXJSCRUZRU-UHFFFAOYSA-N 2 3 367.538 -0.071 20 0 FBADHP CN1CCC[C@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845338 /nfs/dbraw/zinc/84/53/38/484845338.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845333 /nfs/dbraw/zinc/84/53/33/484845333.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845710 /nfs/dbraw/zinc/84/57/10/484845710.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845705 /nfs/dbraw/zinc/84/57/05/484845705.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845625 /nfs/dbraw/zinc/84/56/25/484845625.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845621 /nfs/dbraw/zinc/84/56/21/484845621.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845077 /nfs/dbraw/zinc/84/50/77/484845077.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 2 3 365.522 -0.223 20 0 FBADHP CN1CCC[C@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845072 /nfs/dbraw/zinc/84/50/72/484845072.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 2 3 365.522 -0.223 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100366 484243182 /nfs/dbraw/zinc/24/31/82/484243182.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100366 484243176 /nfs/dbraw/zinc/24/31/76/484243176.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100368 484244114 /nfs/dbraw/zinc/24/41/14/484244114.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100368 484244109 /nfs/dbraw/zinc/24/41/09/484244109.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100370 484244364 /nfs/dbraw/zinc/24/43/64/484244364.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100370 484244358 /nfs/dbraw/zinc/24/43/58/484244358.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100371 484244035 /nfs/dbraw/zinc/24/40/35/484244035.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100371 484244027 /nfs/dbraw/zinc/24/40/27/484244027.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 2 3 353.511 -0.319 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000817954931 661048815 /nfs/dbraw/zinc/04/88/15/661048815.db2.gz NDFDWLNUVKFRNW-UHFFFAOYSA-N 2 3 353.511 -0.460 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867438728 661244531 /nfs/dbraw/zinc/24/45/31/661244531.db2.gz UPCGNVYWXYMQNQ-CVEARBPZSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867438728 661244530 /nfs/dbraw/zinc/24/45/30/661244530.db2.gz UPCGNVYWXYMQNQ-CVEARBPZSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867438729 661244406 /nfs/dbraw/zinc/24/44/06/661244406.db2.gz UPCGNVYWXYMQNQ-HOTGVXAUSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867438729 661244403 /nfs/dbraw/zinc/24/44/03/661244403.db2.gz UPCGNVYWXYMQNQ-HOTGVXAUSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867438930 661244549 /nfs/dbraw/zinc/24/45/49/661244549.db2.gz UPCGNVYWXYMQNQ-HZPDHXFCSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867438930 661244548 /nfs/dbraw/zinc/24/45/48/661244548.db2.gz UPCGNVYWXYMQNQ-HZPDHXFCSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867438931 661244460 /nfs/dbraw/zinc/24/44/60/661244460.db2.gz UPCGNVYWXYMQNQ-JKSUJKDBSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867438931 661244457 /nfs/dbraw/zinc/24/44/57/661244457.db2.gz UPCGNVYWXYMQNQ-JKSUJKDBSA-N 2 3 353.511 -0.509 20 0 FBADHP CN(CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875125043 661514364 /nfs/dbraw/zinc/51/43/64/661514364.db2.gz FFJKKMHVTQRDKB-HUUCEWRRSA-N 2 3 353.511 -0.605 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974517 661598458 /nfs/dbraw/zinc/59/84/58/661598458.db2.gz XFNMFJWYZDWUJU-HNNXBMFYSA-N 2 3 355.527 -0.167 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974518 661598264 /nfs/dbraw/zinc/59/82/64/661598264.db2.gz XFNMFJWYZDWUJU-OAHLLOKOSA-N 2 3 355.527 -0.167 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885014181 661598550 /nfs/dbraw/zinc/59/85/50/661598550.db2.gz BOOUPCOWAZJNQK-MUJYYYPQSA-N 2 3 353.511 -0.415 20 0 FBADHP CC[NH+]1CCC(NC(=O)CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903493866 662347931 /nfs/dbraw/zinc/34/79/31/662347931.db2.gz YHRLDOOBOIFVAY-IYOUNJFTSA-N 2 3 352.479 -0.201 20 0 FBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911444073 660075674 /nfs/dbraw/zinc/07/56/74/660075674.db2.gz YAMFFLXICDVNKE-CRAIPNDOSA-N 2 3 353.511 -0.413 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001157324344 843839983 /nfs/dbraw/zinc/83/99/83/843839983.db2.gz WRSKZEGFUMWOCA-HOCLYGCPSA-N 2 3 353.511 -0.190 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001157324344 843839970 /nfs/dbraw/zinc/83/99/70/843839970.db2.gz WRSKZEGFUMWOCA-HOCLYGCPSA-N 2 3 353.511 -0.190 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001157324344 843839955 /nfs/dbraw/zinc/83/99/55/843839955.db2.gz WRSKZEGFUMWOCA-HOCLYGCPSA-N 2 3 353.511 -0.190 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001157324345 843839429 /nfs/dbraw/zinc/83/94/29/843839429.db2.gz WRSKZEGFUMWOCA-ZBFHGGJFSA-N 2 3 353.511 -0.190 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001157324345 843839417 /nfs/dbraw/zinc/83/94/17/843839417.db2.gz WRSKZEGFUMWOCA-ZBFHGGJFSA-N 2 3 353.511 -0.190 20 0 FBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001157324345 843839405 /nfs/dbraw/zinc/83/94/05/843839405.db2.gz WRSKZEGFUMWOCA-ZBFHGGJFSA-N 2 3 353.511 -0.190 20 0 FBADHP [NH3+]CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)N1CCCC1 ZINC001157371766 843841149 /nfs/dbraw/zinc/84/11/49/843841149.db2.gz YWJLFKDJXZBOBK-RVKKMQEKSA-N 2 3 351.495 -0.578 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121607 843854608 /nfs/dbraw/zinc/85/46/08/843854608.db2.gz VEDBQNSXDCUBGB-KBXCAEBGSA-N 2 3 351.495 -0.580 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121608 843854546 /nfs/dbraw/zinc/85/45/46/843854546.db2.gz VEDBQNSXDCUBGB-KSSFIOAISA-N 2 3 351.495 -0.580 20 0 FBADHP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158384042 843860604 /nfs/dbraw/zinc/86/06/04/843860604.db2.gz QACKSLNWRNTVQW-GDLCADMTSA-N 2 3 366.384 -0.404 20 0 FBADHP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158384043 843860791 /nfs/dbraw/zinc/86/07/91/843860791.db2.gz QACKSLNWRNTVQW-HONMWMINSA-N 2 3 366.384 -0.404 20 0 FBADHP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158384044 843860623 /nfs/dbraw/zinc/86/06/23/843860623.db2.gz QACKSLNWRNTVQW-LERXQTSPSA-N 2 3 366.384 -0.404 20 0 FBADHP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158384045 843860359 /nfs/dbraw/zinc/86/03/59/843860359.db2.gz QACKSLNWRNTVQW-ZLKJLUDKSA-N 2 3 366.384 -0.404 20 0 FBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158496638 843864308 /nfs/dbraw/zinc/86/43/08/843864308.db2.gz WCOMQGLGOAAKIS-LJISPDSOSA-N 2 3 350.463 -0.387 20 0 FBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158496638 843864296 /nfs/dbraw/zinc/86/42/96/843864296.db2.gz WCOMQGLGOAAKIS-LJISPDSOSA-N 2 3 350.463 -0.387 20 0 FBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158496639 843864868 /nfs/dbraw/zinc/86/48/68/843864868.db2.gz WCOMQGLGOAAKIS-ZQDZILKHSA-N 2 3 350.463 -0.387 20 0 FBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158496639 843864860 /nfs/dbraw/zinc/86/48/60/843864860.db2.gz WCOMQGLGOAAKIS-ZQDZILKHSA-N 2 3 350.463 -0.387 20 0 FBADHP CNC(=O)CN1CCCC12CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC2 ZINC001158890693 843870768 /nfs/dbraw/zinc/87/07/68/843870768.db2.gz KLDLNZFOLJQDMJ-HNNXBMFYSA-N 2 3 353.511 -0.094 20 0 FBADHP CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890725 843870510 /nfs/dbraw/zinc/87/05/10/843870510.db2.gz LJKUXRDEBPQLMC-INIZCTEOSA-N 2 3 351.495 -0.484 20 0 FBADHP CNC(=O)CN1CCCC12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890726 843871011 /nfs/dbraw/zinc/87/10/11/843871011.db2.gz LJKUXRDEBPQLMC-MRXNPFEDSA-N 2 3 351.495 -0.484 20 0 FBADHP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158891341 843871090 /nfs/dbraw/zinc/87/10/90/843871090.db2.gz XIUKCBIYLJBTFW-ZDUSSCGKSA-N 2 3 357.524 -0.791 20 0 FBADHP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158891341 843871086 /nfs/dbraw/zinc/87/10/86/843871086.db2.gz XIUKCBIYLJBTFW-ZDUSSCGKSA-N 2 3 357.524 -0.791 20 0 FBADHP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]2C1 ZINC001159635075 843886504 /nfs/dbraw/zinc/88/65/04/843886504.db2.gz GPSXRHGBSUFCLA-QLFBSQMISA-N 2 3 360.524 -0.799 20 0 FBADHP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]2C1 ZINC001159635075 843886495 /nfs/dbraw/zinc/88/64/95/843886495.db2.gz GPSXRHGBSUFCLA-QLFBSQMISA-N 2 3 360.524 -0.799 20 0 FBADHP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)CCC[NH3+])CCC2 ZINC001160358335 843899658 /nfs/dbraw/zinc/89/96/58/843899658.db2.gz PCGVXYAYBDNNAW-AWEZNQCLSA-N 2 3 352.483 -0.240 20 0 FBADHP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H](N)CCC[NH3+])CCC2 ZINC001160358336 843900208 /nfs/dbraw/zinc/90/02/08/843900208.db2.gz PCGVXYAYBDNNAW-CQSZACIVSA-N 2 3 352.483 -0.240 20 0 FBADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160459466 843902670 /nfs/dbraw/zinc/90/26/70/843902670.db2.gz LVWDTMWRXMIBBW-HOTGVXAUSA-N 2 3 353.511 -0.108 20 0 FBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160696019 843907648 /nfs/dbraw/zinc/90/76/48/843907648.db2.gz SJRWUAPHXOOMIL-JYJNAYRXSA-N 2 3 353.511 -0.108 20 0 FBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160696020 843907539 /nfs/dbraw/zinc/90/75/39/843907539.db2.gz SJRWUAPHXOOMIL-PMPSAXMXSA-N 2 3 353.511 -0.108 20 0 FBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160794514 843909257 /nfs/dbraw/zinc/90/92/57/843909257.db2.gz PMWYXKNJXWKHQE-JSEZXORMSA-N 2 3 350.463 -0.830 20 0 FBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160794517 843909084 /nfs/dbraw/zinc/90/90/84/843909084.db2.gz PMWYXKNJXWKHQE-VTWRMFPLSA-N 2 3 350.463 -0.830 20 0 FBADHP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]1C[NH2+]CC2 ZINC001160811165 843909339 /nfs/dbraw/zinc/90/93/39/843909339.db2.gz LSPIOVSCJGIPND-DTTOXWODSA-N 2 3 350.463 -0.813 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972930 843913490 /nfs/dbraw/zinc/91/34/90/843913490.db2.gz UKPURIDHKDZPKV-AGIUHOORSA-N 2 3 361.437 -0.371 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972947 843913554 /nfs/dbraw/zinc/91/35/54/843913554.db2.gz UKPURIDHKDZPKV-AVGNSLFASA-N 2 3 361.437 -0.371 20 0 FBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197501 843916906 /nfs/dbraw/zinc/91/69/06/843916906.db2.gz AVGRSSZHYVZVAQ-IRXDYDNUSA-N 2 3 353.511 -0.774 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412279 843922709 /nfs/dbraw/zinc/92/27/09/843922709.db2.gz IQBQRUZKKLIKRN-OTJKEOIZSA-N 2 3 351.495 -0.371 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412280 843922322 /nfs/dbraw/zinc/92/23/22/843922322.db2.gz IQBQRUZKKLIKRN-QMHWVQJVSA-N 2 3 351.495 -0.371 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412281 843922362 /nfs/dbraw/zinc/92/23/62/843922362.db2.gz IQBQRUZKKLIKRN-QRJUGERDSA-N 2 3 351.495 -0.371 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412282 843922860 /nfs/dbraw/zinc/92/28/60/843922860.db2.gz IQBQRUZKKLIKRN-QXKUPLGCSA-N 2 3 351.495 -0.371 20 0 FBADHP CN(C)CCN(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161442965 843922819 /nfs/dbraw/zinc/92/28/19/843922819.db2.gz JRZFQORTOXMHRI-CABCVRRESA-N 2 3 351.495 -0.756 20 0 FBADHP CN(C)CCN(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161442966 843922312 /nfs/dbraw/zinc/92/23/12/843922312.db2.gz JRZFQORTOXMHRI-GJZGRUSLSA-N 2 3 351.495 -0.756 20 0 FBADHP CN(C)CCN(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161442967 843922527 /nfs/dbraw/zinc/92/25/27/843922527.db2.gz JRZFQORTOXMHRI-HUUCEWRRSA-N 2 3 351.495 -0.756 20 0 FBADHP CN(C)CCN(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161442968 843923395 /nfs/dbraw/zinc/92/33/95/843923395.db2.gz JRZFQORTOXMHRI-LSDHHAIUSA-N 2 3 351.495 -0.756 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161482012 843923825 /nfs/dbraw/zinc/92/38/25/843923825.db2.gz ZYSJONLFIFPZKC-DEYYWGMASA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161482012 843923823 /nfs/dbraw/zinc/92/38/23/843923823.db2.gz ZYSJONLFIFPZKC-DEYYWGMASA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161482014 843924301 /nfs/dbraw/zinc/92/43/01/843924301.db2.gz ZYSJONLFIFPZKC-GLJUWKHASA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161482014 843924299 /nfs/dbraw/zinc/92/42/99/843924299.db2.gz ZYSJONLFIFPZKC-GLJUWKHASA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161482016 843924357 /nfs/dbraw/zinc/92/43/57/843924357.db2.gz ZYSJONLFIFPZKC-IYOUNJFTSA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161482016 843924356 /nfs/dbraw/zinc/92/43/56/843924356.db2.gz ZYSJONLFIFPZKC-IYOUNJFTSA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161482017 843923903 /nfs/dbraw/zinc/92/39/03/843923903.db2.gz ZYSJONLFIFPZKC-LBTNJELSSA-N 2 3 350.463 -0.386 20 0 FBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161482017 843923896 /nfs/dbraw/zinc/92/38/96/843923896.db2.gz ZYSJONLFIFPZKC-LBTNJELSSA-N 2 3 350.463 -0.386 20 0 FBADHP Nc1cn(C(=O)[C@@H](N)CCCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619339 844720484 /nfs/dbraw/zinc/72/04/84/844720484.db2.gz FGGUSAWODOBYOR-AWEZNQCLSA-N 2 3 350.467 -0.600 20 0 FBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219651209 844944636 /nfs/dbraw/zinc/94/46/36/844944636.db2.gz UOQYOQCWYUWASP-FZKCQIBNSA-N 2 3 353.511 -0.205 20 0 FBADHP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219651211 844944434 /nfs/dbraw/zinc/94/44/34/844944434.db2.gz UOQYOQCWYUWASP-UGUYLWEFSA-N 2 3 353.511 -0.205 20 0 FBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219651212 844944624 /nfs/dbraw/zinc/94/46/24/844944624.db2.gz UOQYOQCWYUWASP-VGWMRTNUSA-N 2 3 353.511 -0.205 20 0 FBADHP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219651213 844944216 /nfs/dbraw/zinc/94/42/16/844944216.db2.gz UOQYOQCWYUWASP-WCVJEAGWSA-N 2 3 353.511 -0.205 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769421 844985827 /nfs/dbraw/zinc/98/58/27/844985827.db2.gz WMGWERLZICWLJJ-GRDNDAEWSA-N 2 3 357.474 -0.358 20 0 FBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769422 844986023 /nfs/dbraw/zinc/98/60/23/844986023.db2.gz WMGWERLZICWLJJ-ZQIUZPCESA-N 2 3 357.474 -0.358 20 0 FBADHP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795677 844994880 /nfs/dbraw/zinc/99/48/80/844994880.db2.gz DNZXQFVKKFOSOA-KRWDZBQOSA-N 2 3 352.527 -0.931 20 0 FBADHP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795678 844994673 /nfs/dbraw/zinc/99/46/73/844994673.db2.gz DNZXQFVKKFOSOA-QGZVFWFLSA-N 2 3 352.527 -0.931 20 0 FBADHP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219835197 845014921 /nfs/dbraw/zinc/01/49/21/845014921.db2.gz YXQRONBILVGGNX-IIDMSEBBSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219835197 845014908 /nfs/dbraw/zinc/01/49/08/845014908.db2.gz YXQRONBILVGGNX-IIDMSEBBSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219835199 845015419 /nfs/dbraw/zinc/01/54/19/845015419.db2.gz YXQRONBILVGGNX-RKVPGOIHSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219835199 845015414 /nfs/dbraw/zinc/01/54/14/845015414.db2.gz YXQRONBILVGGNX-RKVPGOIHSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219835200 845015521 /nfs/dbraw/zinc/01/55/21/845015521.db2.gz YXQRONBILVGGNX-RVKKMQEKSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219835200 845015514 /nfs/dbraw/zinc/01/55/14/845015514.db2.gz YXQRONBILVGGNX-RVKKMQEKSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219835202 845015193 /nfs/dbraw/zinc/01/51/93/845015193.db2.gz YXQRONBILVGGNX-VKJFTORMSA-N 2 3 352.479 -0.628 20 0 FBADHP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219835202 845015187 /nfs/dbraw/zinc/01/51/87/845015187.db2.gz YXQRONBILVGGNX-VKJFTORMSA-N 2 3 352.479 -0.628 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838780 845016473 /nfs/dbraw/zinc/01/64/73/845016473.db2.gz UOKZWWPRSDALTL-BQFCYCMXSA-N 2 3 356.511 -0.007 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838781 845016692 /nfs/dbraw/zinc/01/66/92/845016692.db2.gz UOKZWWPRSDALTL-RYRKJORJSA-N 2 3 356.511 -0.007 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838782 845016005 /nfs/dbraw/zinc/01/60/05/845016005.db2.gz UOKZWWPRSDALTL-SOLBZPMBSA-N 2 3 356.511 -0.007 20 0 FBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838783 845016348 /nfs/dbraw/zinc/01/63/48/845016348.db2.gz UOKZWWPRSDALTL-XYJFISCASA-N 2 3 356.511 -0.007 20 0 FBADHP CS(=O)(=O)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(C[NH3+])cc1 ZINC001219939051 845067327 /nfs/dbraw/zinc/06/73/27/845067327.db2.gz PPKRWOXLFHFYAJ-CZUORRHYSA-N 2 3 352.460 -0.363 20 0 FBADHP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCC([NH3+])CC1 ZINC001220039405 845106051 /nfs/dbraw/zinc/10/60/51/845106051.db2.gz CZCUVELCTQRJMU-XYEKJYRLSA-N 2 3 352.479 -0.107 20 0 FBADHP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCC([NH3+])CC1 ZINC001220039406 845105812 /nfs/dbraw/zinc/10/58/12/845105812.db2.gz CZCUVELCTQRJMU-YNAXMUEKSA-N 2 3 352.479 -0.107 20 0 FBADHP C[C@@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505458 845273474 /nfs/dbraw/zinc/27/34/74/845273474.db2.gz CPLPRVPORCETSW-JMACTJGESA-N 2 3 360.499 -0.371 20 0 FBADHP C[C@@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505459 845273380 /nfs/dbraw/zinc/27/33/80/845273380.db2.gz CPLPRVPORCETSW-KROPCVFLSA-N 2 3 360.499 -0.371 20 0 FBADHP C[C@@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505460 845272714 /nfs/dbraw/zinc/27/27/14/845272714.db2.gz CPLPRVPORCETSW-SGIWDBDZSA-N 2 3 360.499 -0.371 20 0 FBADHP C[C@@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505461 845272494 /nfs/dbraw/zinc/27/24/94/845272494.db2.gz CPLPRVPORCETSW-XHTZBMAASA-N 2 3 360.499 -0.371 20 0 FBADHP CC(C)([NH3+])CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)S(=O)(=O)c1ccccc1 ZINC001220535990 845286329 /nfs/dbraw/zinc/28/63/29/845286329.db2.gz RBNMWTWRUZVGJO-AWEZNQCLSA-N 2 3 366.487 -0.250 20 0 FBADHP CC(C)([NH3+])CN(C(=O)[C@H]1C[NH2+]CC12CNC2)S(=O)(=O)c1ccccc1 ZINC001220535991 845286235 /nfs/dbraw/zinc/28/62/35/845286235.db2.gz RBNMWTWRUZVGJO-CQSZACIVSA-N 2 3 366.487 -0.250 20 0 FBADHP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220871026 845421594 /nfs/dbraw/zinc/42/15/94/845421594.db2.gz RROCXQLHQNYWQI-IAQYHMDHSA-N 2 3 368.279 -0.051 20 0 FBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001221391384 845573288 /nfs/dbraw/zinc/57/32/88/845573288.db2.gz MHYDHRJQHUGBRC-RYUDHWBXSA-N 2 3 356.471 -0.639 20 0 FBADHP [NH3+]CCCCN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236262739 846032684 /nfs/dbraw/zinc/03/26/84/846032684.db2.gz AUABIPORNILCOV-GJZGRUSLSA-N 2 3 359.465 -0.059 20 0 FBADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCCN1CCCCC1 ZINC001239453072 846083987 /nfs/dbraw/zinc/08/39/87/846083987.db2.gz SKCZHUMCPFLLHR-UHFFFAOYSA-N 2 3 358.556 -0.537 20 0 FBADHP CCOC(=O)[C@]12C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1CNCC2 ZINC001246048280 846094008 /nfs/dbraw/zinc/09/40/08/846094008.db2.gz WHLKVCJSQBWYIZ-IIDMSEBBSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@]12C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1CNCC2 ZINC001246048280 846093995 /nfs/dbraw/zinc/09/39/95/846093995.db2.gz WHLKVCJSQBWYIZ-IIDMSEBBSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1CNCC2 ZINC001246048282 846093716 /nfs/dbraw/zinc/09/37/16/846093716.db2.gz WHLKVCJSQBWYIZ-RVKKMQEKSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@]12C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1CNCC2 ZINC001246048282 846093710 /nfs/dbraw/zinc/09/37/10/846093710.db2.gz WHLKVCJSQBWYIZ-RVKKMQEKSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061694 846093681 /nfs/dbraw/zinc/09/36/81/846093681.db2.gz USFKAZYKRVJCAW-CABCVRRESA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061695 846093625 /nfs/dbraw/zinc/09/36/25/846093625.db2.gz USFKAZYKRVJCAW-GJZGRUSLSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061697 846094686 /nfs/dbraw/zinc/09/46/86/846094686.db2.gz USFKAZYKRVJCAW-HUUCEWRRSA-N 2 3 355.479 -0.674 20 0 FBADHP CCOC(=O)[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061700 846094556 /nfs/dbraw/zinc/09/45/56/846094556.db2.gz USFKAZYKRVJCAW-LSDHHAIUSA-N 2 3 355.479 -0.674 20 0 FBADHP O=C([C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138843 846096014 /nfs/dbraw/zinc/09/60/14/846096014.db2.gz CDSMUNLHVWOBTA-ILXRZTDVSA-N 2 3 353.536 -0.286 20 0 FBADHP O=C([C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138844 846095586 /nfs/dbraw/zinc/09/55/86/846095586.db2.gz CDSMUNLHVWOBTA-KFWWJZLASA-N 2 3 353.536 -0.286 20 0 FBADHP O=C([C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138845 846095504 /nfs/dbraw/zinc/09/55/04/846095504.db2.gz CDSMUNLHVWOBTA-KKUMJFAQSA-N 2 3 353.536 -0.286 20 0 FBADHP O=C([C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138846 846095742 /nfs/dbraw/zinc/09/57/42/846095742.db2.gz CDSMUNLHVWOBTA-ZNMIVQPWSA-N 2 3 353.536 -0.286 20 0 FBADHP C[NH2+]CC[C@H](C)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001246271074 846097123 /nfs/dbraw/zinc/09/71/23/846097123.db2.gz DONIPHBAOKEXPJ-KRWDZBQOSA-N 2 3 365.515 -0.384 20 0 FBADHP C[NH2+]CC[C@@H](C)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001246271077 846096718 /nfs/dbraw/zinc/09/67/18/846096718.db2.gz DONIPHBAOKEXPJ-QGZVFWFLSA-N 2 3 365.515 -0.384 20 0 FBADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCC(N2CCOCC2)CC1 ZINC001246926829 846110378 /nfs/dbraw/zinc/11/03/78/846110378.db2.gz VOWQXJITNUAJMS-UHFFFAOYSA-N 2 3 355.527 -0.254 20 0 FBADHP CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261868757 846643181 /nfs/dbraw/zinc/64/31/81/846643181.db2.gz VLEMQMIODMEGHK-HZPDHXFCSA-N 2 3 353.511 -0.796 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288458 850195748 /nfs/dbraw/zinc/19/57/48/850195748.db2.gz REQSKSKDURJOAM-BARDWOONSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288458 850195735 /nfs/dbraw/zinc/19/57/35/850195735.db2.gz REQSKSKDURJOAM-BARDWOONSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288459 850196251 /nfs/dbraw/zinc/19/62/51/850196251.db2.gz REQSKSKDURJOAM-TUVASFSCSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288459 850196242 /nfs/dbraw/zinc/19/62/42/850196242.db2.gz REQSKSKDURJOAM-TUVASFSCSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288460 850196363 /nfs/dbraw/zinc/19/63/63/850196363.db2.gz REQSKSKDURJOAM-XQLPTFJDSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288460 850196360 /nfs/dbraw/zinc/19/63/60/850196360.db2.gz REQSKSKDURJOAM-XQLPTFJDSA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288461 850195897 /nfs/dbraw/zinc/19/58/97/850195897.db2.gz REQSKSKDURJOAM-YJNKXOJESA-N 2 3 351.451 -0.949 20 0 FBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288461 850195891 /nfs/dbraw/zinc/19/58/91/850195891.db2.gz REQSKSKDURJOAM-YJNKXOJESA-N 2 3 351.451 -0.949 20 0 FBADHP