smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819829 1077840004 /nfs/dbraw/zinc/84/00/04/1077840004.db2.gz QYQNVOHUWBUNQD-MOPGFXCFSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819829 1077840002 /nfs/dbraw/zinc/84/00/02/1077840002.db2.gz QYQNVOHUWBUNQD-MOPGFXCFSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819829 1077840001 /nfs/dbraw/zinc/84/00/01/1077840001.db2.gz QYQNVOHUWBUNQD-MOPGFXCFSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819829 1077840000 /nfs/dbraw/zinc/84/00/00/1077840000.db2.gz QYQNVOHUWBUNQD-MOPGFXCFSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819831 1077840080 /nfs/dbraw/zinc/84/00/80/1077840080.db2.gz QYQNVOHUWBUNQD-OALUTQOASA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819831 1077840079 /nfs/dbraw/zinc/84/00/79/1077840079.db2.gz QYQNVOHUWBUNQD-OALUTQOASA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819831 1077840076 /nfs/dbraw/zinc/84/00/76/1077840076.db2.gz QYQNVOHUWBUNQD-OALUTQOASA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819831 1077840075 /nfs/dbraw/zinc/84/00/75/1077840075.db2.gz QYQNVOHUWBUNQD-OALUTQOASA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819834 1077840291 /nfs/dbraw/zinc/84/02/91/1077840291.db2.gz QYQNVOHUWBUNQD-RBUKOAKNSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819834 1077840289 /nfs/dbraw/zinc/84/02/89/1077840289.db2.gz QYQNVOHUWBUNQD-RBUKOAKNSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819834 1077840288 /nfs/dbraw/zinc/84/02/88/1077840288.db2.gz QYQNVOHUWBUNQD-RBUKOAKNSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819834 1077840286 /nfs/dbraw/zinc/84/02/86/1077840286.db2.gz QYQNVOHUWBUNQD-RBUKOAKNSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819835 1077840209 /nfs/dbraw/zinc/84/02/09/1077840209.db2.gz QYQNVOHUWBUNQD-RTBURBONSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819835 1077840207 /nfs/dbraw/zinc/84/02/07/1077840207.db2.gz QYQNVOHUWBUNQD-RTBURBONSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819835 1077840205 /nfs/dbraw/zinc/84/02/05/1077840205.db2.gz QYQNVOHUWBUNQD-RTBURBONSA-N 2 2 401.511 0.879 20 30 HCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428819835 1077840203 /nfs/dbraw/zinc/84/02/03/1077840203.db2.gz QYQNVOHUWBUNQD-RTBURBONSA-N 2 2 401.511 0.879 20 30 HCEDLP C=CCNC(=O)CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000466150497 1080946612 /nfs/dbraw/zinc/94/66/12/1080946612.db2.gz YNVQYTHKZYMZCB-UHFFFAOYSA-N 2 2 420.602 0.566 20 30 HCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000495787140 1077888947 /nfs/dbraw/zinc/88/89/47/1077888947.db2.gz CWPASUOANBXSFE-UHFFFAOYSA-N 2 2 421.567 0.663 20 30 HCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000495787140 1077888945 /nfs/dbraw/zinc/88/89/45/1077888945.db2.gz CWPASUOANBXSFE-UHFFFAOYSA-N 2 2 421.567 0.663 20 30 HCEDLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000498419937 1078579103 /nfs/dbraw/zinc/57/91/03/1078579103.db2.gz FDHOUPPNSODRNO-UHFFFAOYSA-N 2 2 421.567 0.895 20 30 HCEDLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000498419937 1078579096 /nfs/dbraw/zinc/57/90/96/1078579096.db2.gz FDHOUPPNSODRNO-UHFFFAOYSA-N 2 2 421.567 0.895 20 30 HCEDLP Cc1onc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000499992598 1081345967 /nfs/dbraw/zinc/34/59/67/1081345967.db2.gz OPNQFEVOKRBYCL-UHFFFAOYSA-N 2 2 402.499 0.094 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000540348881 1075636595 /nfs/dbraw/zinc/63/65/95/1075636595.db2.gz YOCITNBPTBRBGE-ACRUOGEOSA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000540348881 1075636590 /nfs/dbraw/zinc/63/65/90/1075636590.db2.gz YOCITNBPTBRBGE-ACRUOGEOSA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000540348882 1075636542 /nfs/dbraw/zinc/63/65/42/1075636542.db2.gz YOCITNBPTBRBGE-HBMCJLEFSA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000540348882 1075636537 /nfs/dbraw/zinc/63/65/37/1075636537.db2.gz YOCITNBPTBRBGE-HBMCJLEFSA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000540348883 1075636442 /nfs/dbraw/zinc/63/64/42/1075636442.db2.gz YOCITNBPTBRBGE-HKBOAZHASA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000540348883 1075636439 /nfs/dbraw/zinc/63/64/39/1075636439.db2.gz YOCITNBPTBRBGE-HKBOAZHASA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000540348884 1075636433 /nfs/dbraw/zinc/63/64/33/1075636433.db2.gz YOCITNBPTBRBGE-NJYVYQBISA-N 2 2 404.603 0.637 20 30 HCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000540348884 1075636426 /nfs/dbraw/zinc/63/64/26/1075636426.db2.gz YOCITNBPTBRBGE-NJYVYQBISA-N 2 2 404.603 0.637 20 30 HCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556192666 1078505899 /nfs/dbraw/zinc/50/58/99/1078505899.db2.gz CHXJQMKSDNSOER-UHFFFAOYSA-N 2 2 417.529 0.831 20 30 HCEDLP C=CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000604185656 1073727578 /nfs/dbraw/zinc/72/75/78/1073727578.db2.gz QKDFVLFMXAWKKX-UHFFFAOYSA-N 2 2 406.575 0.174 20 30 HCEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606511503 1074190849 /nfs/dbraw/zinc/19/08/49/1074190849.db2.gz YUKIWJSDVAEABD-UHFFFAOYSA-N 2 2 415.542 0.795 20 30 HCEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000606511503 1074190843 /nfs/dbraw/zinc/19/08/43/1074190843.db2.gz YUKIWJSDVAEABD-UHFFFAOYSA-N 2 2 415.542 0.795 20 30 HCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000608533198 1074453961 /nfs/dbraw/zinc/45/39/61/1074453961.db2.gz JOMDYGMWHUDAAI-UHFFFAOYSA-N 2 2 413.522 0.779 20 30 HCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000609199896 1077532101 /nfs/dbraw/zinc/53/21/01/1077532101.db2.gz WFZBLMUGKBXMEZ-FQEVSTJZSA-N 2 2 412.538 0.973 20 30 HCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000609199896 1077532089 /nfs/dbraw/zinc/53/20/89/1077532089.db2.gz WFZBLMUGKBXMEZ-FQEVSTJZSA-N 2 2 412.538 0.973 20 30 HCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000609199898 1077532138 /nfs/dbraw/zinc/53/21/38/1077532138.db2.gz WFZBLMUGKBXMEZ-HXUWFJFHSA-N 2 2 412.538 0.973 20 30 HCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000609199898 1077532126 /nfs/dbraw/zinc/53/21/26/1077532126.db2.gz WFZBLMUGKBXMEZ-HXUWFJFHSA-N 2 2 412.538 0.973 20 30 HCEDLP CN(C(=O)COc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609266983 1078335697 /nfs/dbraw/zinc/33/56/97/1078335697.db2.gz PCXBPSUIUVGJBR-UHFFFAOYSA-N 2 2 413.522 0.634 20 30 HCEDLP CN(C(=O)COc1ccccc1C#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609267020 1078337693 /nfs/dbraw/zinc/33/76/93/1078337693.db2.gz SQHLBRVSLJNZDM-UHFFFAOYSA-N 2 2 413.522 0.634 20 30 HCEDLP CN(C(=O)CNc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609267109 1078337175 /nfs/dbraw/zinc/33/71/75/1078337175.db2.gz WDSQDCIDYWXQJH-UHFFFAOYSA-N 2 2 412.538 0.667 20 30 HCEDLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)NCC#N ZINC000609571185 1078478626 /nfs/dbraw/zinc/47/86/26/1078478626.db2.gz VIJDWNUWPZEZAD-KRWDZBQOSA-N 2 2 419.551 0.695 20 30 HCEDLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)NCC#N ZINC000609571185 1078478621 /nfs/dbraw/zinc/47/86/21/1078478621.db2.gz VIJDWNUWPZEZAD-KRWDZBQOSA-N 2 2 419.551 0.695 20 30 HCEDLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)NCC#N ZINC000609571186 1078478475 /nfs/dbraw/zinc/47/84/75/1078478475.db2.gz VIJDWNUWPZEZAD-QGZVFWFLSA-N 2 2 419.551 0.695 20 30 HCEDLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)NCC#N ZINC000609571186 1078478466 /nfs/dbraw/zinc/47/84/66/1078478466.db2.gz VIJDWNUWPZEZAD-QGZVFWFLSA-N 2 2 419.551 0.695 20 30 HCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 ZINC000609571825 1078479291 /nfs/dbraw/zinc/47/92/91/1078479291.db2.gz LUZGLWVXHFVVNS-QGZVFWFLSA-N 2 2 419.551 0.777 20 30 HCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 ZINC000609571825 1078479285 /nfs/dbraw/zinc/47/92/85/1078479285.db2.gz LUZGLWVXHFVVNS-QGZVFWFLSA-N 2 2 419.551 0.777 20 30 HCEDLP N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(N)=O)cc1 ZINC000609676778 1078512918 /nfs/dbraw/zinc/51/29/18/1078512918.db2.gz UQFXHDXAJHXSBE-GHTZIAJQSA-N 2 2 421.505 0.970 20 30 HCEDLP N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(N)=O)cc1 ZINC000609676779 1078513056 /nfs/dbraw/zinc/51/30/56/1078513056.db2.gz UQFXHDXAJHXSBE-NQIIRXRSSA-N 2 2 421.505 0.970 20 30 HCEDLP N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(N)=O)cc1 ZINC000609676780 1078513042 /nfs/dbraw/zinc/51/30/42/1078513042.db2.gz UQFXHDXAJHXSBE-RXVVDRJESA-N 2 2 421.505 0.970 20 30 HCEDLP N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(N)=O)cc1 ZINC000609676781 1078512717 /nfs/dbraw/zinc/51/27/17/1078512717.db2.gz UQFXHDXAJHXSBE-WIYYLYMNSA-N 2 2 421.505 0.970 20 30 HCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 ZINC000615311805 1078655194 /nfs/dbraw/zinc/65/51/94/1078655194.db2.gz SNPCUOJOMIAFTH-INIZCTEOSA-N 2 2 422.493 0.362 20 30 HCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 ZINC000615311805 1078655190 /nfs/dbraw/zinc/65/51/90/1078655190.db2.gz SNPCUOJOMIAFTH-INIZCTEOSA-N 2 2 422.493 0.362 20 30 HCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 ZINC000615311806 1078655051 /nfs/dbraw/zinc/65/50/51/1078655051.db2.gz SNPCUOJOMIAFTH-MRXNPFEDSA-N 2 2 422.493 0.362 20 30 HCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 ZINC000615311806 1078655043 /nfs/dbraw/zinc/65/50/43/1078655043.db2.gz SNPCUOJOMIAFTH-MRXNPFEDSA-N 2 2 422.493 0.362 20 30 HCEDLP Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1C#N ZINC000615952932 1078707475 /nfs/dbraw/zinc/70/74/75/1078707475.db2.gz UQQZKHGEGPLMEO-KRWDZBQOSA-N 2 2 414.558 0.600 20 30 HCEDLP Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1C#N ZINC000615952932 1078707466 /nfs/dbraw/zinc/70/74/66/1078707466.db2.gz UQQZKHGEGPLMEO-KRWDZBQOSA-N 2 2 414.558 0.600 20 30 HCEDLP Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1C#N ZINC000615952935 1078707568 /nfs/dbraw/zinc/70/75/68/1078707568.db2.gz UQQZKHGEGPLMEO-QGZVFWFLSA-N 2 2 414.558 0.600 20 30 HCEDLP Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1C#N ZINC000615952935 1078707560 /nfs/dbraw/zinc/70/75/60/1078707560.db2.gz UQQZKHGEGPLMEO-QGZVFWFLSA-N 2 2 414.558 0.600 20 30 HCEDLP N#Cc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)nc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618156480 1078856404 /nfs/dbraw/zinc/85/64/04/1078856404.db2.gz MYWFJYDTPVJHLI-PMACEKPBSA-N 2 2 412.538 0.775 20 30 HCEDLP N#Cc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618156481 1078856325 /nfs/dbraw/zinc/85/63/25/1078856325.db2.gz MYWFJYDTPVJHLI-UXHICEINSA-N 2 2 412.538 0.775 20 30 HCEDLP N#Cc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)nc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618156482 1078856277 /nfs/dbraw/zinc/85/62/77/1078856277.db2.gz MYWFJYDTPVJHLI-VQTJNVASSA-N 2 2 412.538 0.775 20 30 HCEDLP N#Cc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618156483 1078856354 /nfs/dbraw/zinc/85/63/54/1078856354.db2.gz MYWFJYDTPVJHLI-WOJBJXKFSA-N 2 2 412.538 0.775 20 30 HCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672356390 1080574369 /nfs/dbraw/zinc/57/43/69/1080574369.db2.gz WZKHGJFAJFKFEO-FQEVSTJZSA-N 3 2 405.587 0.770 20 30 HCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672356390 1080574359 /nfs/dbraw/zinc/57/43/59/1080574359.db2.gz WZKHGJFAJFKFEO-FQEVSTJZSA-N 3 2 405.587 0.770 20 30 HCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672356391 1080574926 /nfs/dbraw/zinc/57/49/26/1080574926.db2.gz WZKHGJFAJFKFEO-HXUWFJFHSA-N 3 2 405.587 0.770 20 30 HCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672356391 1080574915 /nfs/dbraw/zinc/57/49/15/1080574915.db2.gz WZKHGJFAJFKFEO-HXUWFJFHSA-N 3 2 405.587 0.770 20 30 HCEDLP NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000762725468 1077889700 /nfs/dbraw/zinc/88/97/00/1077889700.db2.gz PVAFQVNYAXHQLJ-UHFFFAOYSA-N 2 2 415.538 0.899 20 30 HCEDLP C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000918700117 1078545847 /nfs/dbraw/zinc/54/58/47/1078545847.db2.gz YONSVUWQMVOLMG-UHFFFAOYSA-N 2 2 406.552 0.696 20 30 HCEDLP C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000918700117 1078545842 /nfs/dbraw/zinc/54/58/42/1078545842.db2.gz YONSVUWQMVOLMG-UHFFFAOYSA-N 2 2 406.552 0.696 20 30 HCEDLP COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)C1=O ZINC001164640931 719267670 /nfs/dbraw/zinc/26/76/70/719267670.db2.gz UGFPVBBYYYFWGI-UHFFFAOYSA-N 2 2 412.538 0.748 20 30 HCEDLP COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)C1=O ZINC001164640931 719267666 /nfs/dbraw/zinc/26/76/66/719267666.db2.gz UGFPVBBYYYFWGI-UHFFFAOYSA-N 2 2 412.538 0.748 20 30 HCEDLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164720152 720212738 /nfs/dbraw/zinc/21/27/38/720212738.db2.gz WOQKCGVUCIBCGO-JOCHJYFZSA-N 2 2 412.538 0.654 20 30 HCEDLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164720152 720212728 /nfs/dbraw/zinc/21/27/28/720212728.db2.gz WOQKCGVUCIBCGO-JOCHJYFZSA-N 2 2 412.538 0.654 20 30 HCEDLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164720155 720212597 /nfs/dbraw/zinc/21/25/97/720212597.db2.gz WOQKCGVUCIBCGO-QFIPXVFZSA-N 2 2 412.538 0.654 20 30 HCEDLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164720155 720212592 /nfs/dbraw/zinc/21/25/92/720212592.db2.gz WOQKCGVUCIBCGO-QFIPXVFZSA-N 2 2 412.538 0.654 20 30 HCEDLP