smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000159975106 495854207 /nfs/dbraw/zinc/85/42/07/495854207.db2.gz UGUYAKJWFKLCPD-MRXNPFEDSA-N 1 2 358.490 3.238 10 70 FGIELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000159975106 495854216 /nfs/dbraw/zinc/85/42/16/495854216.db2.gz UGUYAKJWFKLCPD-MRXNPFEDSA-N 1 2 358.490 3.238 10 70 FGIELO CCCCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161173177 496120164 /nfs/dbraw/zinc/12/01/64/496120164.db2.gz YGYCIQVEGZCECZ-HZPDHXFCSA-N 1 2 358.404 3.120 10 70 FGIELO CCCCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161173177 496120170 /nfs/dbraw/zinc/12/01/70/496120170.db2.gz YGYCIQVEGZCECZ-HZPDHXFCSA-N 1 2 358.404 3.120 10 70 FGIELO CC(C)CCn1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000159521921 495750921 /nfs/dbraw/zinc/75/09/21/495750921.db2.gz FGPULXHGKHCGTJ-INIZCTEOSA-N 1 2 358.490 3.149 10 70 FGIELO CC1(C)C[C@H](NC(=O)NCCCNc2cccc[nH+]2)c2ccccc2O1 ZINC000161037817 496089732 /nfs/dbraw/zinc/08/97/32/496089732.db2.gz HPXNECWOBKMMCT-INIZCTEOSA-N 1 2 354.454 3.485 10 70 FGIELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cn3cccnc3n2)C1 ZINC000161043938 496092576 /nfs/dbraw/zinc/09/25/76/496092576.db2.gz HVXAWVGTNMCOFT-JKSUJKDBSA-N 1 2 362.355 3.056 10 70 FGIELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000161043938 496092579 /nfs/dbraw/zinc/09/25/79/496092579.db2.gz HVXAWVGTNMCOFT-JKSUJKDBSA-N 1 2 362.355 3.056 10 70 FGIELO CCC(CC)(CC)CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159521031 495751075 /nfs/dbraw/zinc/75/10/75/495751075.db2.gz ZZNTWZUNYZPBAL-UHFFFAOYSA-N 1 2 363.550 3.081 10 70 FGIELO CCc1cccc(CC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)c1 ZINC000160532068 495985597 /nfs/dbraw/zinc/98/55/97/495985597.db2.gz MWPTXSLNLGXDCW-LJQANCHMSA-N 1 2 372.534 3.351 10 70 FGIELO Cn1cccc1C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161022086 496088169 /nfs/dbraw/zinc/08/81/69/496088169.db2.gz OLDUWDDXZKXTFP-GDBMZVCRSA-N 1 2 352.356 3.035 10 70 FGIELO Cn1cccc1C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161022086 496088176 /nfs/dbraw/zinc/08/81/76/496088176.db2.gz OLDUWDDXZKXTFP-GDBMZVCRSA-N 1 2 352.356 3.035 10 70 FGIELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160251234 495918407 /nfs/dbraw/zinc/91/84/07/495918407.db2.gz DVRMNBXLKDFBMD-OAHLLOKOSA-N 1 2 366.387 3.120 10 70 FGIELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160251105 495919196 /nfs/dbraw/zinc/91/91/96/495919196.db2.gz DVRMNBXLKDFBMD-HNNXBMFYSA-N 1 2 366.387 3.120 10 70 FGIELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cn3cccnc3n2)C1 ZINC000161043805 496091538 /nfs/dbraw/zinc/09/15/38/496091538.db2.gz HVXAWVGTNMCOFT-HOTGVXAUSA-N 1 2 362.355 3.056 10 70 FGIELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000161043805 496091542 /nfs/dbraw/zinc/09/15/42/496091542.db2.gz HVXAWVGTNMCOFT-HOTGVXAUSA-N 1 2 362.355 3.056 10 70 FGIELO CCc1cccc(CC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000160528573 495984457 /nfs/dbraw/zinc/98/44/57/495984457.db2.gz UZAMTEXOEAVKGE-IBGZPJMESA-N 1 2 372.534 3.385 10 70 FGIELO O=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160332839 495937289 /nfs/dbraw/zinc/93/72/89/495937289.db2.gz GJIIAHKJPIEGCM-LJQANCHMSA-N 1 2 361.449 3.319 10 70 FGIELO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000161049977 496093191 /nfs/dbraw/zinc/09/31/91/496093191.db2.gz BIFRNDVDARRIAT-DLBZAZTESA-N 1 2 370.415 3.072 10 70 FGIELO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000161049977 496093194 /nfs/dbraw/zinc/09/31/94/496093194.db2.gz BIFRNDVDARRIAT-DLBZAZTESA-N 1 2 370.415 3.072 10 70 FGIELO CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000161340421 496155639 /nfs/dbraw/zinc/15/56/39/496155639.db2.gz PZBXMMJMSLJVOK-AEFFLSMTSA-N 1 2 367.497 3.187 10 70 FGIELO CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@@H](C)c2ccccc2)[nH+]cn1 ZINC000161340421 496155643 /nfs/dbraw/zinc/15/56/43/496155643.db2.gz PZBXMMJMSLJVOK-AEFFLSMTSA-N 1 2 367.497 3.187 10 70 FGIELO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000160211659 495910161 /nfs/dbraw/zinc/91/01/61/495910161.db2.gz PLKZEQAIZYPDHA-ZIAGYGMSSA-N 1 2 358.404 3.036 10 70 FGIELO C[C@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000160211573 495910884 /nfs/dbraw/zinc/91/08/84/495910884.db2.gz PLKZEQAIZYPDHA-UONOGXRCSA-N 1 2 358.404 3.036 10 70 FGIELO c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nnc3n1CCCC3)OCCO2 ZINC000160606185 496001869 /nfs/dbraw/zinc/00/18/69/496001869.db2.gz MGWTXBBTFOEYDL-MRXNPFEDSA-N 1 2 354.454 3.113 10 70 FGIELO c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nnc3n1CCCC3)OCCO2 ZINC000160606185 496001874 /nfs/dbraw/zinc/00/18/74/496001874.db2.gz MGWTXBBTFOEYDL-MRXNPFEDSA-N 1 2 354.454 3.113 10 70 FGIELO CC(C)N(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000161188128 496122710 /nfs/dbraw/zinc/12/27/10/496122710.db2.gz OQSSGRPMXRQBGE-IAGOWNOFSA-N 1 2 372.431 3.459 10 70 FGIELO CC(C)N(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000161188128 496122711 /nfs/dbraw/zinc/12/27/11/496122711.db2.gz OQSSGRPMXRQBGE-IAGOWNOFSA-N 1 2 372.431 3.459 10 70 FGIELO Cn1cnc2cc(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)(C)C)n4C)cnc21 ZINC000161015893 496085317 /nfs/dbraw/zinc/08/53/17/496085317.db2.gz OUAFLIZYHFLLBS-UHFFFAOYSA-N 1 2 362.437 3.405 10 70 FGIELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC(F)(F)F)C1 ZINC000161169911 496119500 /nfs/dbraw/zinc/11/95/00/496119500.db2.gz BYZVRINIBNENTO-CHWSQXEVSA-N 1 2 357.294 3.392 10 70 FGIELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC(F)(F)F)C1 ZINC000161169911 496119501 /nfs/dbraw/zinc/11/95/01/496119501.db2.gz BYZVRINIBNENTO-CHWSQXEVSA-N 1 2 357.294 3.392 10 70 FGIELO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)[C@@H](C)C2 ZINC000161174840 496119958 /nfs/dbraw/zinc/11/99/58/496119958.db2.gz ZTGYXTKHSUCIIS-UWJYYQICSA-N 1 2 364.493 3.151 10 70 FGIELO C[N@H+](CCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654266 495779490 /nfs/dbraw/zinc/77/94/90/495779490.db2.gz YNUSCEQPCYPILW-SFHVURJKSA-N 1 2 363.521 3.132 10 70 FGIELO C[N@@H+](CCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654266 495779495 /nfs/dbraw/zinc/77/94/95/495779495.db2.gz YNUSCEQPCYPILW-SFHVURJKSA-N 1 2 363.521 3.132 10 70 FGIELO COc1c(C[NH2+]Cc2cc(Cl)ccc2Br)c(C)nn1C ZINC000160133685 495892393 /nfs/dbraw/zinc/89/23/93/495892393.db2.gz QBDDXRPOUGESSX-UHFFFAOYSA-N 1 2 358.667 3.443 10 70 FGIELO O=C(N[C@H]1CCCc2cc(F)ccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161055220 496094711 /nfs/dbraw/zinc/09/47/11/496094711.db2.gz FFVWLLPEJGRLGL-FQEVSTJZSA-N 1 2 368.456 3.126 10 70 FGIELO CCc1cccc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1 ZINC000160536658 495987195 /nfs/dbraw/zinc/98/71/95/495987195.db2.gz WNDVBUXVLRCWGM-APWZRJJASA-N 1 2 372.534 3.431 10 70 FGIELO CCc1cccc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000160536658 495987201 /nfs/dbraw/zinc/98/72/01/495987201.db2.gz WNDVBUXVLRCWGM-APWZRJJASA-N 1 2 372.534 3.431 10 70 FGIELO COC(=O)c1coc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161105956 496104740 /nfs/dbraw/zinc/10/47/40/496104740.db2.gz WHIGDGUYAYCCHQ-GDBMZVCRSA-N 1 2 369.339 3.393 10 70 FGIELO COC(=O)c1coc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161105956 496104747 /nfs/dbraw/zinc/10/47/47/496104747.db2.gz WHIGDGUYAYCCHQ-GDBMZVCRSA-N 1 2 369.339 3.393 10 70 FGIELO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000161131654 496109951 /nfs/dbraw/zinc/10/99/51/496109951.db2.gz PEILKYUBPNTTDD-UKRRQHHQSA-N 1 2 369.339 3.393 10 70 FGIELO COC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000161131654 496109954 /nfs/dbraw/zinc/10/99/54/496109954.db2.gz PEILKYUBPNTTDD-UKRRQHHQSA-N 1 2 369.339 3.393 10 70 FGIELO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159603710 495767402 /nfs/dbraw/zinc/76/74/02/495767402.db2.gz FCZPLDJBFNQUEB-IBGZPJMESA-N 1 2 370.884 3.250 10 70 FGIELO Cc1oc2nc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)nc(N)c2c1C ZINC000159631526 495774752 /nfs/dbraw/zinc/77/47/52/495774752.db2.gz GMUHVOIGOCQQDU-OAQYLSRUSA-N 1 2 364.449 3.096 10 70 FGIELO Cc1oc2nc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)nc(N)c2c1C ZINC000159631526 495774757 /nfs/dbraw/zinc/77/47/57/495774757.db2.gz GMUHVOIGOCQQDU-OAQYLSRUSA-N 1 2 364.449 3.096 10 70 FGIELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)Cc3ccccc3F)CC2)s1 ZINC000159742550 495798440 /nfs/dbraw/zinc/79/84/40/495798440.db2.gz MBKLGFVVNJEPHT-AWEZNQCLSA-N 1 2 361.486 3.114 10 70 FGIELO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)[C@@H](C)C2 ZINC000161174737 496120562 /nfs/dbraw/zinc/12/05/62/496120562.db2.gz ZTGYXTKHSUCIIS-LAUBAEHRSA-N 1 2 364.493 3.151 10 70 FGIELO NC(=O)c1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161116732 496108012 /nfs/dbraw/zinc/10/80/12/496108012.db2.gz IAQZNEDMZAUCIA-DLBZAZTESA-N 1 2 364.367 3.112 10 70 FGIELO NC(=O)c1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161116732 496108014 /nfs/dbraw/zinc/10/80/14/496108014.db2.gz IAQZNEDMZAUCIA-DLBZAZTESA-N 1 2 364.367 3.112 10 70 FGIELO CCCN(CCC)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161194898 496125271 /nfs/dbraw/zinc/12/52/71/496125271.db2.gz DJGCGWFPTXWUBU-IAGOWNOFSA-N 1 2 372.431 3.462 10 70 FGIELO CCCN(CCC)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161194898 496125275 /nfs/dbraw/zinc/12/52/75/496125275.db2.gz DJGCGWFPTXWUBU-IAGOWNOFSA-N 1 2 372.431 3.462 10 70 FGIELO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC2(CNc3ccccc32)CC1 ZINC000216911076 522241171 /nfs/dbraw/zinc/24/11/71/522241171.db2.gz APKVSPBIQUFOLZ-UHFFFAOYSA-N 1 2 365.477 3.317 10 70 FGIELO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@H]1C(=O)Nc2ccccc21 ZINC000160346272 495940968 /nfs/dbraw/zinc/94/09/68/495940968.db2.gz VUXIJXWGUQWDRC-CYBMUJFWSA-N 1 2 350.426 3.119 10 70 FGIELO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195026 496124766 /nfs/dbraw/zinc/12/47/66/496124766.db2.gz DJGCGWFPTXWUBU-DLBZAZTESA-N 1 2 372.431 3.462 10 70 FGIELO CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195026 496124772 /nfs/dbraw/zinc/12/47/72/496124772.db2.gz DJGCGWFPTXWUBU-DLBZAZTESA-N 1 2 372.431 3.462 10 70 FGIELO Cn1cccc1C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161022173 496087607 /nfs/dbraw/zinc/08/76/07/496087607.db2.gz OLDUWDDXZKXTFP-GOEBONIOSA-N 1 2 352.356 3.035 10 70 FGIELO Cn1cccc1C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161022173 496087613 /nfs/dbraw/zinc/08/76/13/496087613.db2.gz OLDUWDDXZKXTFP-GOEBONIOSA-N 1 2 352.356 3.035 10 70 FGIELO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)[C@H](C)C2 ZINC000161174524 496120250 /nfs/dbraw/zinc/12/02/50/496120250.db2.gz ZTGYXTKHSUCIIS-DYESRHJHSA-N 1 2 364.493 3.151 10 70 FGIELO C[N@H+](Cc1noc(C2CCCCC2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159886655 495832489 /nfs/dbraw/zinc/83/24/89/495832489.db2.gz KQJHIBXEDFDZSL-MRXNPFEDSA-N 1 2 356.474 3.008 10 70 FGIELO C[N@@H+](Cc1noc(C2CCCCC2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159886655 495832495 /nfs/dbraw/zinc/83/24/95/495832495.db2.gz KQJHIBXEDFDZSL-MRXNPFEDSA-N 1 2 356.474 3.008 10 70 FGIELO CCc1cccc(CC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)c1 ZINC000160531911 495984352 /nfs/dbraw/zinc/98/43/52/495984352.db2.gz MWPTXSLNLGXDCW-IBGZPJMESA-N 1 2 372.534 3.351 10 70 FGIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161057028 496094479 /nfs/dbraw/zinc/09/44/79/496094479.db2.gz DNEHZQSGEGTQAI-SJORKVTESA-N 1 2 370.415 3.216 10 70 FGIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161057028 496094482 /nfs/dbraw/zinc/09/44/82/496094482.db2.gz DNEHZQSGEGTQAI-SJORKVTESA-N 1 2 370.415 3.216 10 70 FGIELO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159603573 495767573 /nfs/dbraw/zinc/76/75/73/495767573.db2.gz FCZPLDJBFNQUEB-LJQANCHMSA-N 1 2 370.884 3.250 10 70 FGIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161057162 496094749 /nfs/dbraw/zinc/09/47/49/496094749.db2.gz DNEHZQSGEGTQAI-IAGOWNOFSA-N 1 2 370.415 3.216 10 70 FGIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161057162 496094752 /nfs/dbraw/zinc/09/47/52/496094752.db2.gz DNEHZQSGEGTQAI-IAGOWNOFSA-N 1 2 370.415 3.216 10 70 FGIELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159551779 495757013 /nfs/dbraw/zinc/75/70/13/495757013.db2.gz RRGNFFAHUKHXQA-IUKKYPGJSA-N 1 2 364.489 3.426 10 70 FGIELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159551779 495757018 /nfs/dbraw/zinc/75/70/18/495757018.db2.gz RRGNFFAHUKHXQA-IUKKYPGJSA-N 1 2 364.489 3.426 10 70 FGIELO C[C@@H](CNC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C)[NH+]1CCOCC1 ZINC000160232481 495914043 /nfs/dbraw/zinc/91/40/43/495914043.db2.gz JSWVZMPKJAZLAC-SUMWQHHRSA-N 1 2 369.456 3.072 10 70 FGIELO CCCC(O)(CCC)CC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000161448957 496179733 /nfs/dbraw/zinc/17/97/33/496179733.db2.gz YWFWWOFHOSIHPI-UHFFFAOYSA-N 1 2 367.559 3.207 10 70 FGIELO CCCC(O)(CCC)CC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000161448957 496179738 /nfs/dbraw/zinc/17/97/38/496179738.db2.gz YWFWWOFHOSIHPI-UHFFFAOYSA-N 1 2 367.559 3.207 10 70 FGIELO COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160590286 495998724 /nfs/dbraw/zinc/99/87/24/495998724.db2.gz IGWPBTGTIYPTJT-QGZVFWFLSA-N 1 2 356.470 3.359 10 70 FGIELO COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160590286 495998729 /nfs/dbraw/zinc/99/87/29/495998729.db2.gz IGWPBTGTIYPTJT-QGZVFWFLSA-N 1 2 356.470 3.359 10 70 FGIELO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000161131781 496109922 /nfs/dbraw/zinc/10/99/22/496109922.db2.gz PEILKYUBPNTTDD-DZGCQCFKSA-N 1 2 369.339 3.393 10 70 FGIELO COC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000161131781 496109930 /nfs/dbraw/zinc/10/99/30/496109930.db2.gz PEILKYUBPNTTDD-DZGCQCFKSA-N 1 2 369.339 3.393 10 70 FGIELO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161122109 496108808 /nfs/dbraw/zinc/10/88/08/496108808.db2.gz BJNGIDANGMHAQA-KBRIMQKVSA-N 1 2 370.415 3.214 10 70 FGIELO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161122109 496108811 /nfs/dbraw/zinc/10/88/11/496108811.db2.gz BJNGIDANGMHAQA-KBRIMQKVSA-N 1 2 370.415 3.214 10 70 FGIELO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161055101 496094364 /nfs/dbraw/zinc/09/43/64/496094364.db2.gz QSJWVTABURKQAF-JKSUJKDBSA-N 1 2 372.431 3.366 10 70 FGIELO CC(C)(C)CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161055101 496094369 /nfs/dbraw/zinc/09/43/69/496094369.db2.gz QSJWVTABURKQAF-JKSUJKDBSA-N 1 2 372.431 3.366 10 70 FGIELO CCc1cccc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1 ZINC000160536778 495986752 /nfs/dbraw/zinc/98/67/52/495986752.db2.gz WNDVBUXVLRCWGM-VQIMIIECSA-N 1 2 372.534 3.431 10 70 FGIELO CCc1cccc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000160536778 495986757 /nfs/dbraw/zinc/98/67/57/495986757.db2.gz WNDVBUXVLRCWGM-VQIMIIECSA-N 1 2 372.534 3.431 10 70 FGIELO CC(C)(C)n1ncc2c1nc[nH+]c2NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000160346392 495941784 /nfs/dbraw/zinc/94/17/84/495941784.db2.gz VUXIJXWGUQWDRC-ZDUSSCGKSA-N 1 2 350.426 3.119 10 70 FGIELO CC1(C)C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)c2ccccc2O1 ZINC000161037926 496089589 /nfs/dbraw/zinc/08/95/89/496089589.db2.gz HPXNECWOBKMMCT-MRXNPFEDSA-N 1 2 354.454 3.485 10 70 FGIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000160979000 496078730 /nfs/dbraw/zinc/07/87/30/496078730.db2.gz BLXIARRTWCRSMF-YRNVUSSQSA-N 1 2 366.509 3.175 10 70 FGIELO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000160211778 495910668 /nfs/dbraw/zinc/91/06/68/495910668.db2.gz PLKZEQAIZYPDHA-KBPBESRZSA-N 1 2 358.404 3.036 10 70 FGIELO NC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161116600 496107273 /nfs/dbraw/zinc/10/72/73/496107273.db2.gz IAQZNEDMZAUCIA-IAGOWNOFSA-N 1 2 364.367 3.112 10 70 FGIELO NC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161116600 496107280 /nfs/dbraw/zinc/10/72/80/496107280.db2.gz IAQZNEDMZAUCIA-IAGOWNOFSA-N 1 2 364.367 3.112 10 70 FGIELO CC(C)CCn1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000159521790 495751292 /nfs/dbraw/zinc/75/12/92/495751292.db2.gz FGPULXHGKHCGTJ-MRXNPFEDSA-N 1 2 358.490 3.149 10 70 FGIELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000159975242 495854718 /nfs/dbraw/zinc/85/47/18/495854718.db2.gz UGUYAKJWFKLCPD-INIZCTEOSA-N 1 2 358.490 3.238 10 70 FGIELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000159975242 495854725 /nfs/dbraw/zinc/85/47/25/495854725.db2.gz UGUYAKJWFKLCPD-INIZCTEOSA-N 1 2 358.490 3.238 10 70 FGIELO C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C)[NH+]1CCOCC1 ZINC000160232340 495913683 /nfs/dbraw/zinc/91/36/83/495913683.db2.gz JSWVZMPKJAZLAC-DYVFJYSZSA-N 1 2 369.456 3.072 10 70 FGIELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cn3cccnc3n2)C1 ZINC000161044231 496091789 /nfs/dbraw/zinc/09/17/89/496091789.db2.gz HVXAWVGTNMCOFT-HZPDHXFCSA-N 1 2 362.355 3.056 10 70 FGIELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000161044231 496091795 /nfs/dbraw/zinc/09/17/95/496091795.db2.gz HVXAWVGTNMCOFT-HZPDHXFCSA-N 1 2 362.355 3.056 10 70 FGIELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000161340582 496155575 /nfs/dbraw/zinc/15/55/75/496155575.db2.gz PZBXMMJMSLJVOK-SJLPKXTDSA-N 1 2 367.497 3.187 10 70 FGIELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@@H](C)c2ccccc2)[nH+]cn1 ZINC000161340582 496155578 /nfs/dbraw/zinc/15/55/78/496155578.db2.gz PZBXMMJMSLJVOK-SJLPKXTDSA-N 1 2 367.497 3.187 10 70 FGIELO Cc1oc2nc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)nc(N)c2c1C ZINC000159631687 495774576 /nfs/dbraw/zinc/77/45/76/495774576.db2.gz GMUHVOIGOCQQDU-NRFANRHFSA-N 1 2 364.449 3.096 10 70 FGIELO Cc1oc2nc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)nc(N)c2c1C ZINC000159631687 495774582 /nfs/dbraw/zinc/77/45/82/495774582.db2.gz GMUHVOIGOCQQDU-NRFANRHFSA-N 1 2 364.449 3.096 10 70 FGIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000161124053 496108701 /nfs/dbraw/zinc/10/87/01/496108701.db2.gz CWBQUPUVYDDIHA-DLBZAZTESA-N 1 2 364.367 3.452 10 70 FGIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000161124053 496108706 /nfs/dbraw/zinc/10/87/06/496108706.db2.gz CWBQUPUVYDDIHA-DLBZAZTESA-N 1 2 364.367 3.452 10 70 FGIELO COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160590425 495998411 /nfs/dbraw/zinc/99/84/11/495998411.db2.gz IGWPBTGTIYPTJT-KRWDZBQOSA-N 1 2 356.470 3.359 10 70 FGIELO COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160590425 495998416 /nfs/dbraw/zinc/99/84/16/495998416.db2.gz IGWPBTGTIYPTJT-KRWDZBQOSA-N 1 2 356.470 3.359 10 70 FGIELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000160191703 495905239 /nfs/dbraw/zinc/90/52/39/495905239.db2.gz WCBMXOQDCIYYFA-RDJZCZTQSA-N 1 2 356.470 3.102 10 70 FGIELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000160191703 495905241 /nfs/dbraw/zinc/90/52/41/495905241.db2.gz WCBMXOQDCIYYFA-RDJZCZTQSA-N 1 2 356.470 3.102 10 70 FGIELO c1cc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c2c(c1)OCCO2 ZINC000160606574 496002682 /nfs/dbraw/zinc/00/26/82/496002682.db2.gz SDYRAEAAAUSKTB-INIZCTEOSA-N 1 2 354.454 3.113 10 70 FGIELO c1cc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c2c(c1)OCCO2 ZINC000160606574 496002684 /nfs/dbraw/zinc/00/26/84/496002684.db2.gz SDYRAEAAAUSKTB-INIZCTEOSA-N 1 2 354.454 3.113 10 70 FGIELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@H](C)c2ccccc2)nc[nH+]1 ZINC000161340503 496155167 /nfs/dbraw/zinc/15/51/67/496155167.db2.gz PZBXMMJMSLJVOK-FUHWJXTLSA-N 1 2 367.497 3.187 10 70 FGIELO CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@H](C)c2ccccc2)[nH+]cn1 ZINC000161340503 496155175 /nfs/dbraw/zinc/15/51/75/496155175.db2.gz PZBXMMJMSLJVOK-FUHWJXTLSA-N 1 2 367.497 3.187 10 70 FGIELO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160585543 495997026 /nfs/dbraw/zinc/99/70/26/495997026.db2.gz INUPJKZGZYQJBK-KRWDZBQOSA-N 1 2 354.454 3.128 10 70 FGIELO COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160585543 495997030 /nfs/dbraw/zinc/99/70/30/495997030.db2.gz INUPJKZGZYQJBK-KRWDZBQOSA-N 1 2 354.454 3.128 10 70 FGIELO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161054958 496094240 /nfs/dbraw/zinc/09/42/40/496094240.db2.gz QSJWVTABURKQAF-HZPDHXFCSA-N 1 2 372.431 3.366 10 70 FGIELO CC(C)(C)CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161054958 496094245 /nfs/dbraw/zinc/09/42/45/496094245.db2.gz QSJWVTABURKQAF-HZPDHXFCSA-N 1 2 372.431 3.366 10 70 FGIELO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000161154043 496116080 /nfs/dbraw/zinc/11/60/80/496116080.db2.gz HGBCLENMSFDHEW-KBRIMQKVSA-N 1 2 370.415 3.072 10 70 FGIELO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000161154043 496116082 /nfs/dbraw/zinc/11/60/82/496116082.db2.gz HGBCLENMSFDHEW-KBRIMQKVSA-N 1 2 370.415 3.072 10 70 FGIELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC(F)(F)F)C1 ZINC000161169786 496118953 /nfs/dbraw/zinc/11/89/53/496118953.db2.gz BYZVRINIBNENTO-OLZOCXBDSA-N 1 2 357.294 3.392 10 70 FGIELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC(F)(F)F)C1 ZINC000161169786 496118956 /nfs/dbraw/zinc/11/89/56/496118956.db2.gz BYZVRINIBNENTO-OLZOCXBDSA-N 1 2 357.294 3.392 10 70 FGIELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC(F)(F)F)C1 ZINC000161169664 496119472 /nfs/dbraw/zinc/11/94/72/496119472.db2.gz BYZVRINIBNENTO-QWHCGFSZSA-N 1 2 357.294 3.392 10 70 FGIELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC(F)(F)F)C1 ZINC000161169664 496119473 /nfs/dbraw/zinc/11/94/73/496119473.db2.gz BYZVRINIBNENTO-QWHCGFSZSA-N 1 2 357.294 3.392 10 70 FGIELO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160585423 495996806 /nfs/dbraw/zinc/99/68/06/495996806.db2.gz INUPJKZGZYQJBK-QGZVFWFLSA-N 1 2 354.454 3.128 10 70 FGIELO COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160585423 495996811 /nfs/dbraw/zinc/99/68/11/495996811.db2.gz INUPJKZGZYQJBK-QGZVFWFLSA-N 1 2 354.454 3.128 10 70 FGIELO c1cc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c2c(c1)OCCO2 ZINC000160606435 496002787 /nfs/dbraw/zinc/00/27/87/496002787.db2.gz SDYRAEAAAUSKTB-MRXNPFEDSA-N 1 2 354.454 3.113 10 70 FGIELO c1cc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c2c(c1)OCCO2 ZINC000160606435 496002788 /nfs/dbraw/zinc/00/27/88/496002788.db2.gz SDYRAEAAAUSKTB-MRXNPFEDSA-N 1 2 354.454 3.113 10 70 FGIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161056805 496094098 /nfs/dbraw/zinc/09/40/98/496094098.db2.gz DNEHZQSGEGTQAI-IRXDYDNUSA-N 1 2 370.415 3.216 10 70 FGIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161056805 496094102 /nfs/dbraw/zinc/09/41/02/496094102.db2.gz DNEHZQSGEGTQAI-IRXDYDNUSA-N 1 2 370.415 3.216 10 70 FGIELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)Cc3ccccc3F)CC2)s1 ZINC000159742701 495798634 /nfs/dbraw/zinc/79/86/34/495798634.db2.gz MBKLGFVVNJEPHT-CQSZACIVSA-N 1 2 361.486 3.114 10 70 FGIELO C[C@H](CNC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C)[NH+]1CCOCC1 ZINC000160232606 495914175 /nfs/dbraw/zinc/91/41/75/495914175.db2.gz JSWVZMPKJAZLAC-CXAGYDPISA-N 1 2 369.456 3.072 10 70 FGIELO O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160692212 496021986 /nfs/dbraw/zinc/02/19/86/496021986.db2.gz APWCJBWQGHADSB-KRWDZBQOSA-N 1 2 364.445 3.062 10 70 FGIELO O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160692325 496021724 /nfs/dbraw/zinc/02/17/24/496021724.db2.gz APWCJBWQGHADSB-QGZVFWFLSA-N 1 2 364.445 3.062 10 70 FGIELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)c1 ZINC000159989644 495857970 /nfs/dbraw/zinc/85/79/70/495857970.db2.gz QYXJINPNPBDRSK-LJQANCHMSA-N 1 2 371.481 3.048 10 70 FGIELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)c1 ZINC000159989644 495857971 /nfs/dbraw/zinc/85/79/71/495857971.db2.gz QYXJINPNPBDRSK-LJQANCHMSA-N 1 2 371.481 3.048 10 70 FGIELO Brc1ccc2nc(C[NH+]3CCC(Cn4cccn4)CC3)[nH]c2c1 ZINC000159440852 495733483 /nfs/dbraw/zinc/73/34/83/495733483.db2.gz ANWNDVXNYLFJJF-UHFFFAOYSA-N 1 2 374.286 3.434 10 70 FGIELO C[N@H+](CCN1CCC[C@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654411 495779809 /nfs/dbraw/zinc/77/98/09/495779809.db2.gz YNUSCEQPCYPILW-GOSISDBHSA-N 1 2 363.521 3.132 10 70 FGIELO C[N@@H+](CCN1CCC[C@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654411 495779813 /nfs/dbraw/zinc/77/98/13/495779813.db2.gz YNUSCEQPCYPILW-GOSISDBHSA-N 1 2 363.521 3.132 10 70 FGIELO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000160289540 495928321 /nfs/dbraw/zinc/92/83/21/495928321.db2.gz NOOCPNRAVVAUBB-PXAZEXFGSA-N 1 2 364.287 3.452 10 70 FGIELO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000160289540 495928324 /nfs/dbraw/zinc/92/83/24/495928324.db2.gz NOOCPNRAVVAUBB-PXAZEXFGSA-N 1 2 364.287 3.452 10 70 FGIELO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000160688629 496021056 /nfs/dbraw/zinc/02/10/56/496021056.db2.gz FOZAIJLRBLWGQD-INIZCTEOSA-N 1 2 356.445 3.118 10 70 FGIELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cn3cccnc3n2)C1 ZINC000161044102 496092144 /nfs/dbraw/zinc/09/21/44/496092144.db2.gz HVXAWVGTNMCOFT-CVEARBPZSA-N 1 2 362.355 3.056 10 70 FGIELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000161044102 496092147 /nfs/dbraw/zinc/09/21/47/496092147.db2.gz HVXAWVGTNMCOFT-CVEARBPZSA-N 1 2 362.355 3.056 10 70 FGIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159551514 495757382 /nfs/dbraw/zinc/75/73/82/495757382.db2.gz RRGNFFAHUKHXQA-YZZKKUAISA-N 1 2 364.489 3.426 10 70 FGIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159551514 495757383 /nfs/dbraw/zinc/75/73/83/495757383.db2.gz RRGNFFAHUKHXQA-YZZKKUAISA-N 1 2 364.489 3.426 10 70 FGIELO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@H]3c3ccco3)nc(N)c21 ZINC000161137091 496110807 /nfs/dbraw/zinc/11/08/07/496110807.db2.gz SNBYJVXREZVJPL-LBPRGKRZSA-N 1 2 370.409 3.220 10 70 FGIELO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@H]3c3ccco3)nc(N)c21 ZINC000161137091 496110815 /nfs/dbraw/zinc/11/08/15/496110815.db2.gz SNBYJVXREZVJPL-LBPRGKRZSA-N 1 2 370.409 3.220 10 70 FGIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000161123930 496108655 /nfs/dbraw/zinc/10/86/55/496108655.db2.gz CWBQUPUVYDDIHA-IAGOWNOFSA-N 1 2 364.367 3.452 10 70 FGIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000161123930 496108660 /nfs/dbraw/zinc/10/86/60/496108660.db2.gz CWBQUPUVYDDIHA-IAGOWNOFSA-N 1 2 364.367 3.452 10 70 FGIELO CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000161188257 496122843 /nfs/dbraw/zinc/12/28/43/496122843.db2.gz OQSSGRPMXRQBGE-DLBZAZTESA-N 1 2 372.431 3.459 10 70 FGIELO CC(C)N(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000161188257 496122846 /nfs/dbraw/zinc/12/28/46/496122846.db2.gz OQSSGRPMXRQBGE-DLBZAZTESA-N 1 2 372.431 3.459 10 70 FGIELO C[C@@H](CNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C)[NH+]1CCOCC1 ZINC000160232215 495914578 /nfs/dbraw/zinc/91/45/78/495914578.db2.gz JSWVZMPKJAZLAC-GUYCJALGSA-N 1 2 369.456 3.072 10 70 FGIELO CC1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000161049821 496093403 /nfs/dbraw/zinc/09/34/03/496093403.db2.gz BIFRNDVDARRIAT-IAGOWNOFSA-N 1 2 370.415 3.072 10 70 FGIELO CC1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000161049821 496093410 /nfs/dbraw/zinc/09/34/10/496093410.db2.gz BIFRNDVDARRIAT-IAGOWNOFSA-N 1 2 370.415 3.072 10 70 FGIELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC(F)(F)F)C1 ZINC000161169530 496119129 /nfs/dbraw/zinc/11/91/29/496119129.db2.gz BYZVRINIBNENTO-STQMWFEESA-N 1 2 357.294 3.392 10 70 FGIELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC(F)(F)F)C1 ZINC000161169530 496119136 /nfs/dbraw/zinc/11/91/36/496119136.db2.gz BYZVRINIBNENTO-STQMWFEESA-N 1 2 357.294 3.392 10 70 FGIELO C[N@H+](Cc1noc(C2CCCCC2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000159886799 495832660 /nfs/dbraw/zinc/83/26/60/495832660.db2.gz KQJHIBXEDFDZSL-INIZCTEOSA-N 1 2 356.474 3.008 10 70 FGIELO C[N@@H+](Cc1noc(C2CCCCC2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000159886799 495832665 /nfs/dbraw/zinc/83/26/65/495832665.db2.gz KQJHIBXEDFDZSL-INIZCTEOSA-N 1 2 356.474 3.008 10 70 FGIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161056935 496094302 /nfs/dbraw/zinc/09/43/02/496094302.db2.gz DNEHZQSGEGTQAI-DLBZAZTESA-N 1 2 370.415 3.216 10 70 FGIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000161056935 496094307 /nfs/dbraw/zinc/09/43/07/496094307.db2.gz DNEHZQSGEGTQAI-DLBZAZTESA-N 1 2 370.415 3.216 10 70 FGIELO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)nc(N)c21 ZINC000161136970 496111773 /nfs/dbraw/zinc/11/17/73/496111773.db2.gz SNBYJVXREZVJPL-GFCCVEGCSA-N 1 2 370.409 3.220 10 70 FGIELO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H]3c3ccco3)nc(N)c21 ZINC000161136970 496111777 /nfs/dbraw/zinc/11/17/77/496111777.db2.gz SNBYJVXREZVJPL-GFCCVEGCSA-N 1 2 370.409 3.220 10 70 FGIELO CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@H](C)c2ccccc2)nc[nH+]1 ZINC000161340333 496155469 /nfs/dbraw/zinc/15/54/69/496155469.db2.gz PZBXMMJMSLJVOK-WMZOPIPTSA-N 1 2 367.497 3.187 10 70 FGIELO CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@H](C)c2ccccc2)[nH+]cn1 ZINC000161340333 496155477 /nfs/dbraw/zinc/15/54/77/496155477.db2.gz PZBXMMJMSLJVOK-WMZOPIPTSA-N 1 2 367.497 3.187 10 70 FGIELO CCc1cccc(CC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000160528674 495984876 /nfs/dbraw/zinc/98/48/76/495984876.db2.gz UZAMTEXOEAVKGE-LJQANCHMSA-N 1 2 372.534 3.385 10 70 FGIELO COC(=O)c1coc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161106070 496105213 /nfs/dbraw/zinc/10/52/13/496105213.db2.gz WHIGDGUYAYCCHQ-GOEBONIOSA-N 1 2 369.339 3.393 10 70 FGIELO COC(=O)c1coc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161106070 496105220 /nfs/dbraw/zinc/10/52/20/496105220.db2.gz WHIGDGUYAYCCHQ-GOEBONIOSA-N 1 2 369.339 3.393 10 70 FGIELO C[C@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000160211912 495910469 /nfs/dbraw/zinc/91/04/69/495910469.db2.gz PLKZEQAIZYPDHA-KGLIPLIRSA-N 1 2 358.404 3.036 10 70 FGIELO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000160289425 495928037 /nfs/dbraw/zinc/92/80/37/495928037.db2.gz NOOCPNRAVVAUBB-SJKOYZFVSA-N 1 2 364.287 3.452 10 70 FGIELO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000160289425 495928041 /nfs/dbraw/zinc/92/80/41/495928041.db2.gz NOOCPNRAVVAUBB-SJKOYZFVSA-N 1 2 364.287 3.452 10 70 FGIELO O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161055114 496094834 /nfs/dbraw/zinc/09/48/34/496094834.db2.gz FFVWLLPEJGRLGL-HXUWFJFHSA-N 1 2 368.456 3.126 10 70 FGIELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)c1 ZINC000159989515 495858026 /nfs/dbraw/zinc/85/80/26/495858026.db2.gz QYXJINPNPBDRSK-IBGZPJMESA-N 1 2 371.481 3.048 10 70 FGIELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)c1 ZINC000159989515 495858030 /nfs/dbraw/zinc/85/80/30/495858030.db2.gz QYXJINPNPBDRSK-IBGZPJMESA-N 1 2 371.481 3.048 10 70 FGIELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000160191577 495905665 /nfs/dbraw/zinc/90/56/65/495905665.db2.gz WCBMXOQDCIYYFA-DOTOQJQBSA-N 1 2 356.470 3.102 10 70 FGIELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000160191577 495905670 /nfs/dbraw/zinc/90/56/70/495905670.db2.gz WCBMXOQDCIYYFA-DOTOQJQBSA-N 1 2 356.470 3.102 10 70 FGIELO CCCCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161173298 496120443 /nfs/dbraw/zinc/12/04/43/496120443.db2.gz YGYCIQVEGZCECZ-JKSUJKDBSA-N 1 2 358.404 3.120 10 70 FGIELO CCCCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161173298 496120449 /nfs/dbraw/zinc/12/04/49/496120449.db2.gz YGYCIQVEGZCECZ-JKSUJKDBSA-N 1 2 358.404 3.120 10 70 FGIELO c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nnc3n1CCCC3)OCCO2 ZINC000160606302 496001524 /nfs/dbraw/zinc/00/15/24/496001524.db2.gz MGWTXBBTFOEYDL-INIZCTEOSA-N 1 2 354.454 3.113 10 70 FGIELO c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nnc3n1CCCC3)OCCO2 ZINC000160606302 496001526 /nfs/dbraw/zinc/00/15/26/496001526.db2.gz MGWTXBBTFOEYDL-INIZCTEOSA-N 1 2 354.454 3.113 10 70 FGIELO