smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001320228863	916480835	/nfs/dbraw/zinc/48/08/35/916480835.db2.gz	CZHCLFCIEXVTRY-KBPBESRZSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001320297021	916500181	/nfs/dbraw/zinc/50/01/81/916500181.db2.gz	XCDQFLQNTUPELS-QWHCGFSZSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297140	916502709	/nfs/dbraw/zinc/50/27/09/916502709.db2.gz	YLEYVAVTBFHQLH-OLZOCXBDSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1	ZINC001341105509	917749394	/nfs/dbraw/zinc/74/93/94/917749394.db2.gz	WVXUGXXTIRSCIF-UONOGXRCSA-N	2	0	319.409	-1.044	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)C[C@@H]2CO)[C@@H](CO)C1	ZINC001352913219	918135023	/nfs/dbraw/zinc/13/50/23/918135023.db2.gz	QXNNCFQTKVZOFE-HZPDHXFCSA-N	2	0	310.442	-1.794	20	30		DAEDRP
C#CCN1CCN(C(=O)CN2CCN(CCO)[C@H](C)C2)CC1	ZINC000491037931	372925513	/nfs/dbraw/zinc/92/55/13/372925513.db2.gz	HCRBQXGLVKCXDD-OAHLLOKOSA-N	2	0	308.426	-1.238	20	30		DAEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000491781239	373437217	/nfs/dbraw/zinc/43/72/17/373437217.db2.gz	NMXWAXGIAJLVKN-STQMWFEESA-N	2	0	307.398	-1.105	20	30		DAEDRP
OC[C@H]1CCN(CC#CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O	ZINC000568558318	373545439	/nfs/dbraw/zinc/54/54/39/373545439.db2.gz	VESGYULXGKKDJY-QKPAOTATSA-N	2	0	312.410	-1.660	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1	ZINC001152330329	782131544	/nfs/dbraw/zinc/13/15/44/782131544.db2.gz	MAXSICJGAUTWEG-LLVKDONJSA-N	2	0	323.397	-1.379	20	30		DAEDRP
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000262529579	662711517	/nfs/dbraw/zinc/71/15/17/662711517.db2.gz	MSSJBHWDGAZHQG-CQSZACIVSA-N	2	0	312.462	-1.271	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C(C)=O)CC1	ZINC000262829301	662717268	/nfs/dbraw/zinc/71/72/68/662717268.db2.gz	ZLCQSSZSVLPPMR-CQSZACIVSA-N	2	0	310.446	-1.028	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@@H](COC)C1	ZINC000261946266	663241488	/nfs/dbraw/zinc/24/14/88/663241488.db2.gz	NKBPJQHHGFFYHO-ZIAGYGMSSA-N	2	0	311.430	-1.091	20	30		DAEDRP
C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CN(C)CCO1	ZINC001267189830	775209665	/nfs/dbraw/zinc/20/96/65/775209665.db2.gz	WCGCBTQEJZNBPJ-STQMWFEESA-N	2	0	310.398	-1.497	20	30		DAEDRP
C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1CN(C)CCO1	ZINC001267189829	775211236	/nfs/dbraw/zinc/21/12/36/775211236.db2.gz	WCGCBTQEJZNBPJ-QWHCGFSZSA-N	2	0	310.398	-1.497	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001267469061	775244654	/nfs/dbraw/zinc/24/46/54/775244654.db2.gz	JCOFZDWFIKMBSE-AWEZNQCLSA-N	2	0	324.425	-1.248	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001268308490	775362684	/nfs/dbraw/zinc/36/26/84/775362684.db2.gz	NALGQAXASQCAPA-STQMWFEESA-N	2	0	324.425	-1.325	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001268310021	775365175	/nfs/dbraw/zinc/36/51/75/775365175.db2.gz	ZTGREYAAJNYDSM-QWHCGFSZSA-N	2	0	323.397	-1.965	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001268316168	775367743	/nfs/dbraw/zinc/36/77/43/775367743.db2.gz	QXMGZLRDIYLNML-CYBMUJFWSA-N	2	0	324.425	-1.016	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)CCO1	ZINC001268524166	775395035	/nfs/dbraw/zinc/39/50/35/775395035.db2.gz	ZOOKACSCECTZTG-ZFDPJTLLSA-N	2	0	310.398	-1.119	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CN(CC)CCO1	ZINC001268952836	775431992	/nfs/dbraw/zinc/43/19/92/775431992.db2.gz	DMMGSCHJMKFIHJ-CQSZACIVSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127563023	775812621	/nfs/dbraw/zinc/81/26/21/775812621.db2.gz	SQDOOIUULPXSHF-UHFFFAOYSA-N	2	0	320.397	-1.487	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780197	775864225	/nfs/dbraw/zinc/86/42/25/775864225.db2.gz	WSTDXRSYMVHHLE-OLZOCXBDSA-N	2	0	308.382	-1.695	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1	ZINC001273277109	776202435	/nfs/dbraw/zinc/20/24/35/776202435.db2.gz	QFSNXZVKGNQEAL-UONOGXRCSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1	ZINC001273301145	776204491	/nfs/dbraw/zinc/20/44/91/776204491.db2.gz	QBIUXSADVAMOHM-UONOGXRCSA-N	2	0	322.409	-1.353	20	30		DAEDRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1	ZINC001132859180	776642960	/nfs/dbraw/zinc/64/29/60/776642960.db2.gz	YLPSUDVYGYHHSW-GFCCVEGCSA-N	2	0	311.386	-1.559	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1	ZINC001134020774	776686619	/nfs/dbraw/zinc/68/66/19/776686619.db2.gz	GVDONLRUPSPHLR-CQSZACIVSA-N	2	0	324.425	-1.058	20	30		DAEDRP
C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1	ZINC001135114644	776735918	/nfs/dbraw/zinc/73/59/18/776735918.db2.gz	LIQKPWIXQBGETH-UHFFFAOYSA-N	2	0	321.385	-1.596	20	30		DAEDRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC#N	ZINC001151152514	779672876	/nfs/dbraw/zinc/67/28/76/779672876.db2.gz	VESFGWRGAKNNDZ-LBPRGKRZSA-N	2	0	311.386	-1.700	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1	ZINC001152324160	779691171	/nfs/dbraw/zinc/69/11/71/779691171.db2.gz	NVNBTJBIQQOBIU-CYBMUJFWSA-N	2	0	320.393	-1.157	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1	ZINC001158305760	779772735	/nfs/dbraw/zinc/77/27/35/779772735.db2.gz	LJNTVYKBHBUVLV-ZRUFSTJUSA-N	2	0	303.384	-1.487	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)C1	ZINC001158424841	779775142	/nfs/dbraw/zinc/77/51/42/779775142.db2.gz	UMERGZODAYBADS-RCWTZXSCSA-N	2	0	303.384	-1.344	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158486186	779777250	/nfs/dbraw/zinc/77/72/50/779777250.db2.gz	HKLLDZXIUDTLEB-UONOGXRCSA-N	2	0	322.409	-1.305	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1	ZINC001161413319	779835350	/nfs/dbraw/zinc/83/53/50/779835350.db2.gz	PFEBTTJBYVNLJS-KQSJRHEJSA-N	2	0	317.411	-1.111	20	30		DAEDRP
N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])nc1C#N	ZINC001218594612	780035464	/nfs/dbraw/zinc/03/54/64/780035464.db2.gz	HGBVQZFUJCZIMN-LURJTMIESA-N	2	0	306.355	-1.240	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)n2ccc(=[NH2+])c(N)c2)C1	ZINC001218693235	780039844	/nfs/dbraw/zinc/03/98/44/780039844.db2.gz	HYORSSZFVJEMGV-XCBNKYQSSA-N	2	0	300.340	-1.103	20	30		DAEDRP
COC(=O)[C@H](CS)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220035586	780171998	/nfs/dbraw/zinc/17/19/98/780171998.db2.gz	FVYIGCQIIMARSM-ZJUUUORDSA-N	2	0	304.416	-1.676	20	30		DAEDRP
NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]CC23C[NH2+]C3)cc1	ZINC001220643892	780236934	/nfs/dbraw/zinc/23/69/34/780236934.db2.gz	XDQZHYVKBORNPO-NSHDSACASA-N	2	0	301.350	-1.174	20	30		DAEDRP
C#CCNC(=O)CN1CCC(NC(=O)COCC[NH+](C)C)CC1	ZINC001230048913	780360828	/nfs/dbraw/zinc/36/08/28/780360828.db2.gz	YXGIBSYNXJVMKF-UHFFFAOYSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001278086067	780427813	/nfs/dbraw/zinc/42/78/13/780427813.db2.gz	SVTRLZZJACGBAO-UONOGXRCSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001278148473	780431837	/nfs/dbraw/zinc/43/18/37/780431837.db2.gz	VWSFCENJNBPNAS-CYBMUJFWSA-N	2	0	312.414	-1.303	20	30		DAEDRP
C[C@H](C#N)S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239132073	780443503	/nfs/dbraw/zinc/44/35/03/780443503.db2.gz	ZESAEFBQRHWVHG-SNVBAGLBSA-N	2	0	305.404	-1.656	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001278792455	780489548	/nfs/dbraw/zinc/48/95/48/780489548.db2.gz	UEUCWTKWPFBMRY-CHWSQXEVSA-N	2	0	312.414	-1.208	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001278803539	780491039	/nfs/dbraw/zinc/49/10/39/780491039.db2.gz	APKODDHAHAGAKE-AWEZNQCLSA-N	2	0	324.425	-1.514	20	30		DAEDRP
CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1CCCC1	ZINC001278831995	780495377	/nfs/dbraw/zinc/49/53/77/780495377.db2.gz	GOUNGNCUUSXLKH-GFCCVEGCSA-N	2	0	311.386	-1.869	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001279886053	780629432	/nfs/dbraw/zinc/62/94/32/780629432.db2.gz	HCWUGSXDSBOXKN-UHFFFAOYSA-N	2	0	323.397	-1.868	20	30		DAEDRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CCC1	ZINC001283763415	780775660	/nfs/dbraw/zinc/77/56/60/780775660.db2.gz	HMMKGQHWTLHUMF-LLVKDONJSA-N	2	0	311.386	-1.823	20	30		DAEDRP
C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147893800	781459522	/nfs/dbraw/zinc/45/95/22/781459522.db2.gz	UCLSXESDNJLIAE-GFCCVEGCSA-N	2	0	300.403	-1.039	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001187121424	781795338	/nfs/dbraw/zinc/79/53/38/781795338.db2.gz	JTBIYXYXIYEHEX-GFCCVEGCSA-N	2	0	305.382	-1.088	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001327021354	916980527	/nfs/dbraw/zinc/98/05/27/916980527.db2.gz	WOCTUWQKCFPLIG-CYBMUJFWSA-N	2	0	310.398	-1.496	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001327021356	916980751	/nfs/dbraw/zinc/98/07/51/916980751.db2.gz	WOCTUWQKCFPLIG-ZDUSSCGKSA-N	2	0	310.398	-1.496	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)CC1	ZINC001331839948	917345529	/nfs/dbraw/zinc/34/55/29/917345529.db2.gz	GWTWEOMNLUTVQY-ZDUSSCGKSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000261832078	372873088	/nfs/dbraw/zinc/87/30/88/372873088.db2.gz	BUUGLUGAUVELEC-LLVKDONJSA-N	2	0	311.386	-1.215	20	30		DAEDRP
C#CCN1CCN(C(=O)CN2CCN(CCO)[C@@H](C)C2)CC1	ZINC000491037930	372924194	/nfs/dbraw/zinc/92/41/94/372924194.db2.gz	HCRBQXGLVKCXDD-HNNXBMFYSA-N	2	0	308.426	-1.238	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1	ZINC001152330330	782130618	/nfs/dbraw/zinc/13/06/18/782130618.db2.gz	MAXSICJGAUTWEG-NSHDSACASA-N	2	0	323.397	-1.379	20	30		DAEDRP
C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1	ZINC000262268799	662424409	/nfs/dbraw/zinc/42/44/09/662424409.db2.gz	GHWBCTCFJGMFFP-OAHLLOKOSA-N	2	0	319.413	-1.020	20	30		DAEDRP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(C(C)=O)CC1	ZINC000262788517	662717045	/nfs/dbraw/zinc/71/70/45/662717045.db2.gz	QZQRULJKXSNMBR-AWEZNQCLSA-N	2	0	308.430	-1.274	20	30		DAEDRP
C[NH+](C)CC#CCNC(=O)[C@@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C	ZINC000827972252	663868698	/nfs/dbraw/zinc/86/86/98/663868698.db2.gz	XMIVUJGZYOVFNO-GASCZTMLSA-N	2	0	318.421	-1.015	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1	ZINC000958725145	664288889	/nfs/dbraw/zinc/28/88/89/664288889.db2.gz	WDHRLSGCDIGMCZ-HUUCEWRRSA-N	2	0	309.410	-1.267	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1CN(C)CCO1	ZINC001267189827	775210237	/nfs/dbraw/zinc/21/02/37/775210237.db2.gz	WCGCBTQEJZNBPJ-CHWSQXEVSA-N	2	0	310.398	-1.497	20	30		DAEDRP
C#CCNC(=O)CN(C)C[C@H](C)NC(=O)CCN1CCOCC1	ZINC001268750505	775420594	/nfs/dbraw/zinc/42/05/94/775420594.db2.gz	MCIGJBGOSIPKRE-AWEZNQCLSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CN(CC)CCO1	ZINC001268952835	775431506	/nfs/dbraw/zinc/43/15/06/775431506.db2.gz	DMMGSCHJMKFIHJ-AWEZNQCLSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C	ZINC001272413224	775759870	/nfs/dbraw/zinc/75/98/70/775759870.db2.gz	ALGDXRRHLAOATP-IJLUTSLNSA-N	2	0	311.386	-1.967	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780439	775863639	/nfs/dbraw/zinc/86/36/39/775863639.db2.gz	YYJJHESEVPPYQU-CHWSQXEVSA-N	2	0	310.398	-1.142	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1	ZINC001132852779	776643298	/nfs/dbraw/zinc/64/32/98/776643298.db2.gz	UIXKUKXCWLDTJO-ZIAGYGMSSA-N	2	0	324.425	-1.061	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135114805	776735328	/nfs/dbraw/zinc/73/53/28/776735328.db2.gz	OJPATFWSERQYFJ-UHFFFAOYSA-N	2	0	320.397	-1.487	20	30		DAEDRP
C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NCC#N)CC1	ZINC001135959685	776776004	/nfs/dbraw/zinc/77/60/04/776776004.db2.gz	SRFLWNCKCKLGSV-UHFFFAOYSA-N	2	0	311.386	-1.557	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151049259	779670014	/nfs/dbraw/zinc/67/00/14/779670014.db2.gz	LRNXANANMAJRRN-LLVKDONJSA-N	2	0	311.386	-1.344	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151151997	779672474	/nfs/dbraw/zinc/67/24/74/779672474.db2.gz	AZOQULKWOSLSLR-ZDUSSCGKSA-N	2	0	312.414	-1.037	20	30		DAEDRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC#N	ZINC001151152512	779672664	/nfs/dbraw/zinc/67/26/64/779672664.db2.gz	VESFGWRGAKNNDZ-GFCCVEGCSA-N	2	0	311.386	-1.700	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151156483	779672963	/nfs/dbraw/zinc/67/29/63/779672963.db2.gz	DNDNUJCJRXVXJX-CYBMUJFWSA-N	2	0	310.398	-1.590	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](CC#C)CC1	ZINC001152330188	779690408	/nfs/dbraw/zinc/69/04/08/779690408.db2.gz	IGPCTIOFOSGWKM-UHFFFAOYSA-N	2	0	304.394	-1.213	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)C1	ZINC001158424840	779775569	/nfs/dbraw/zinc/77/55/69/779775569.db2.gz	UMERGZODAYBADS-CHWFTXMASA-N	2	0	303.384	-1.344	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158486184	779776372	/nfs/dbraw/zinc/77/63/72/779776372.db2.gz	HKLLDZXIUDTLEB-KBPBESRZSA-N	2	0	322.409	-1.305	20	30		DAEDRP
N#CCCN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001160483003	779808125	/nfs/dbraw/zinc/80/81/25/779808125.db2.gz	FABVHIODIMIYPN-CQSZACIVSA-N	2	0	308.430	-1.205	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1	ZINC001161413318	779835297	/nfs/dbraw/zinc/83/52/97/779835297.db2.gz	PFEBTTJBYVNLJS-KNZXXDILSA-N	2	0	317.411	-1.111	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1	ZINC001161413320	779836386	/nfs/dbraw/zinc/83/63/86/779836386.db2.gz	PFEBTTJBYVNLJS-MJDLHHQISA-N	2	0	317.411	-1.111	20	30		DAEDRP
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[C@@H]1[NH3+]	ZINC001161493250	779840621	/nfs/dbraw/zinc/84/06/21/779840621.db2.gz	HSPHOLLAIFLYMY-XFWSIPNHSA-N	2	0	307.372	-2.122	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C3(CC3)C2)C1	ZINC001161550095	779842220	/nfs/dbraw/zinc/84/22/20/779842220.db2.gz	CQJWZLDGWDLAPT-ZJUUUORDSA-N	2	0	303.384	-1.343	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1	ZINC001164535756	779879549	/nfs/dbraw/zinc/87/95/49/779879549.db2.gz	DMTPEOXLAHYJDJ-AWEZNQCLSA-N	2	0	324.425	-1.059	20	30		DAEDRP
N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]([NH3+])CCC[NH3+])c1N	ZINC001218597373	780034849	/nfs/dbraw/zinc/03/48/49/780034849.db2.gz	SOXRTDMMVKOPFK-SECBINFHSA-N	2	0	304.358	-1.311	20	30		DAEDRP
C=C(C)C(=O)NCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220043118	780173938	/nfs/dbraw/zinc/17/39/38/780173938.db2.gz	FYHACZPNRVENLE-CYBMUJFWSA-N	2	0	311.430	-1.065	20	30		DAEDRP
NC(=O)c1ccc(C(=[NH2+])NC(O)=C2COC3(C[NH2+]C3)CN2)cc1	ZINC001220643352	780237652	/nfs/dbraw/zinc/23/76/52/780237652.db2.gz	BNLLWPWOTQLCOU-LLVKDONJSA-N	2	0	317.349	-1.652	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001278086065	780427007	/nfs/dbraw/zinc/42/70/07/780427007.db2.gz	SVTRLZZJACGBAO-KBPBESRZSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001278195092	780435011	/nfs/dbraw/zinc/43/50/11/780435011.db2.gz	OZGLXGMIAUYXHZ-ZIAGYGMSSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001278195089	780435076	/nfs/dbraw/zinc/43/50/76/780435076.db2.gz	OZGLXGMIAUYXHZ-KBPBESRZSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001278195091	780435114	/nfs/dbraw/zinc/43/51/14/780435114.db2.gz	OZGLXGMIAUYXHZ-UONOGXRCSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001278195090	780435705	/nfs/dbraw/zinc/43/57/05/780435705.db2.gz	OZGLXGMIAUYXHZ-KGLIPLIRSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C#CCOC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246050934	780449907	/nfs/dbraw/zinc/44/99/07/780449907.db2.gz	GMGVITDHTLAPAN-CYBMUJFWSA-N	2	0	300.403	-1.887	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001283758910	780773874	/nfs/dbraw/zinc/77/38/74/780773874.db2.gz	DFZNWBPYLCIVNK-QWHCGFSZSA-N	2	0	323.397	-1.965	20	30		DAEDRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CCC1	ZINC001283763420	780775718	/nfs/dbraw/zinc/77/57/18/780775718.db2.gz	HMMKGQHWTLHUMF-NSHDSACASA-N	2	0	311.386	-1.823	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1	ZINC001090831133	781355415	/nfs/dbraw/zinc/35/54/15/781355415.db2.gz	ROMVPYLPYCTLFG-HUUCEWRRSA-N	2	0	309.410	-1.125	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)C1	ZINC001160655412	781380013	/nfs/dbraw/zinc/38/00/13/781380013.db2.gz	LAGIKEWKUXZWRM-DOLQZWNJSA-N	2	0	307.372	-2.386	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1	ZINC001203349543	781596705	/nfs/dbraw/zinc/59/67/05/781596705.db2.gz	RVTKXELJEGQTHY-UHFFFAOYSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001176160646	781614326	/nfs/dbraw/zinc/61/43/26/781614326.db2.gz	KBQNSNWMRLBTRD-CQSZACIVSA-N	2	0	324.425	-1.200	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001317066935	916263213	/nfs/dbraw/zinc/26/32/13/916263213.db2.gz	JTBIYXYXIYEHEX-LBPRGKRZSA-N	2	0	305.382	-1.088	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001320291528	916498133	/nfs/dbraw/zinc/49/81/33/916498133.db2.gz	CPYSEVWILMVMLX-AWEZNQCLSA-N	2	0	324.425	-1.466	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001320291537	916499055	/nfs/dbraw/zinc/49/90/55/916499055.db2.gz	CPYSEVWILMVMLX-CQSZACIVSA-N	2	0	324.425	-1.466	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001320297022	916501546	/nfs/dbraw/zinc/50/15/46/916501546.db2.gz	XCDQFLQNTUPELS-STQMWFEESA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001320297020	916501779	/nfs/dbraw/zinc/50/17/79/916501779.db2.gz	XCDQFLQNTUPELS-OLZOCXBDSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CC1	ZINC001327078560	916989029	/nfs/dbraw/zinc/98/90/29/916989029.db2.gz	FHLKENXQLAETKX-CQSZACIVSA-N	2	0	322.409	-1.366	20	30		DAEDRP
C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@@]1(C)CO	ZINC000639846538	373288295	/nfs/dbraw/zinc/28/82/95/373288295.db2.gz	BCDMTLPHXVXFCX-SYMSYNOKSA-N	2	0	312.410	-1.375	20	30		DAEDRP
OC[C@H]1CCN(CC#CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O	ZINC000568558317	373545840	/nfs/dbraw/zinc/54/58/40/373545840.db2.gz	VESGYULXGKKDJY-GEEKYZPCSA-N	2	0	312.410	-1.660	20	30		DAEDRP
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000178991215	337166720	/nfs/dbraw/zinc/16/67/20/337166720.db2.gz	PVFPCSLERYROOH-CQSZACIVSA-N	2	0	310.446	-1.517	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC(=O)N(C)C1	ZINC000261797885	337610680	/nfs/dbraw/zinc/61/06/80/337610680.db2.gz	LLRVDUYCOZDXQF-CHWSQXEVSA-N	2	0	308.430	-1.228	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCC(=O)N(C)C1	ZINC000261797890	662681491	/nfs/dbraw/zinc/68/14/91/662681491.db2.gz	LLRVDUYCOZDXQF-QWHCGFSZSA-N	2	0	308.430	-1.228	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)CC1	ZINC000958725146	664288760	/nfs/dbraw/zinc/28/87/60/664288760.db2.gz	WDHRLSGCDIGMCZ-LSDHHAIUSA-N	2	0	309.410	-1.267	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001273910421	782221911	/nfs/dbraw/zinc/22/19/11/782221911.db2.gz	HVHKGMMLPRNTKM-MRXNPFEDSA-N	2	0	324.425	-1.369	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1	ZINC001280680947	782279393	/nfs/dbraw/zinc/27/93/93/782279393.db2.gz	JADWAGMFPKULGN-AWEZNQCLSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CN(C)CCO1	ZINC001267189828	775210113	/nfs/dbraw/zinc/21/01/13/775210113.db2.gz	WCGCBTQEJZNBPJ-OLZOCXBDSA-N	2	0	310.398	-1.497	20	30		DAEDRP
CN1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1	ZINC001267953007	775299932	/nfs/dbraw/zinc/29/99/32/775299932.db2.gz	BRBHEXNBGDUFEZ-CHWSQXEVSA-N	2	0	323.397	-1.463	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001268310020	775364297	/nfs/dbraw/zinc/36/42/97/775364297.db2.gz	ZTGREYAAJNYDSM-OLZOCXBDSA-N	2	0	323.397	-1.965	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CN(C)CCO1	ZINC001268524157	775394401	/nfs/dbraw/zinc/39/44/01/775394401.db2.gz	ZOOKACSCECTZTG-DSYXLKISSA-N	2	0	310.398	-1.119	20	30		DAEDRP
C[NH+](C)C1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1	ZINC001168297557	775648312	/nfs/dbraw/zinc/64/83/12/775648312.db2.gz	CMCMEYYUCBAZGJ-UWJTWVRFSA-N	2	0	304.387	-1.909	20	30		DAEDRP
C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)C1	ZINC001272307562	775748338	/nfs/dbraw/zinc/74/83/38/775748338.db2.gz	SZTFLNUELZEOKW-GFCCVEGCSA-N	2	0	311.386	-2.012	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001272413765	775758218	/nfs/dbraw/zinc/75/82/18/775758218.db2.gz	IQIRZXPPDDJXAI-JHJVBQTASA-N	2	0	310.398	-1.857	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001272585035	775783644	/nfs/dbraw/zinc/78/36/44/775783644.db2.gz	SNEVJTNFEHOZMD-UONOGXRCSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001272582932	775784216	/nfs/dbraw/zinc/78/42/16/775784216.db2.gz	DHUFPMVILURPTQ-UONOGXRCSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CC1	ZINC001272585031	775784423	/nfs/dbraw/zinc/78/44/23/775784423.db2.gz	SNEVJTNFEHOZMD-KBPBESRZSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780196	775864153	/nfs/dbraw/zinc/86/41/53/775864153.db2.gz	WSTDXRSYMVHHLE-CHWSQXEVSA-N	2	0	308.382	-1.695	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780199	775864387	/nfs/dbraw/zinc/86/43/87/775864387.db2.gz	WSTDXRSYMVHHLE-STQMWFEESA-N	2	0	308.382	-1.695	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779114	775864763	/nfs/dbraw/zinc/86/47/63/775864763.db2.gz	JGJQTRROAQRBBG-RYUDHWBXSA-N	2	0	309.370	-1.805	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)CC1	ZINC001084090126	776167995	/nfs/dbraw/zinc/16/79/95/776167995.db2.gz	LKLOWZCBSYTAGT-YUELXQCFSA-N	2	0	309.410	-1.126	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1	ZINC001169530667	776294487	/nfs/dbraw/zinc/29/44/87/776294487.db2.gz	HJWISFCFTIDLPM-UHFFFAOYSA-N	2	0	324.425	-1.058	20	30		DAEDRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1	ZINC001132859226	776643339	/nfs/dbraw/zinc/64/33/39/776643339.db2.gz	YLPSUDVYGYHHSW-LBPRGKRZSA-N	2	0	311.386	-1.559	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1	ZINC001132852776	776643745	/nfs/dbraw/zinc/64/37/45/776643745.db2.gz	UIXKUKXCWLDTJO-KBPBESRZSA-N	2	0	324.425	-1.061	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C	ZINC001124872494	779604527	/nfs/dbraw/zinc/60/45/27/779604527.db2.gz	HUKFXTWRZGLLCK-LLVKDONJSA-N	2	0	311.386	-1.202	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151049260	779669400	/nfs/dbraw/zinc/66/94/00/779669400.db2.gz	LRNXANANMAJRRN-NSHDSACASA-N	2	0	311.386	-1.344	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151151996	779673358	/nfs/dbraw/zinc/67/33/58/779673358.db2.gz	AZOQULKWOSLSLR-CYBMUJFWSA-N	2	0	312.414	-1.037	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC1	ZINC001152324161	779691049	/nfs/dbraw/zinc/69/10/49/779691049.db2.gz	NVNBTJBIQQOBIU-ZDUSSCGKSA-N	2	0	320.393	-1.157	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158486187	779776897	/nfs/dbraw/zinc/77/68/97/779776897.db2.gz	HKLLDZXIUDTLEB-ZIAGYGMSSA-N	2	0	322.409	-1.305	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158486185	779777216	/nfs/dbraw/zinc/77/72/16/779777216.db2.gz	HKLLDZXIUDTLEB-KGLIPLIRSA-N	2	0	322.409	-1.305	20	30		DAEDRP
CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC001161222361	779830931	/nfs/dbraw/zinc/83/09/31/779830931.db2.gz	YIDDSFKIUVGZRP-UVOCVTCTSA-N	2	0	303.384	-1.631	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001278085802	780426946	/nfs/dbraw/zinc/42/69/46/780426946.db2.gz	RUYPAUUVCOYUMN-MELADBBJSA-N	2	0	324.425	-1.467	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001278086066	780427014	/nfs/dbraw/zinc/42/70/14/780427014.db2.gz	SVTRLZZJACGBAO-KGLIPLIRSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C=CCOC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246057572	780449248	/nfs/dbraw/zinc/44/92/48/780449248.db2.gz	ZVMQUACAGVQJMV-ZDUSSCGKSA-N	2	0	302.419	-1.334	20	30		DAEDRP
C#CCOC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246050953	780449423	/nfs/dbraw/zinc/44/94/23/780449423.db2.gz	GMGVITDHTLAPAN-ZDUSSCGKSA-N	2	0	300.403	-1.887	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001278826388	780494222	/nfs/dbraw/zinc/49/42/22/780494222.db2.gz	FIMUDNTYGPJBPY-ZDUSSCGKSA-N	2	0	324.425	-1.207	20	30		DAEDRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC[N@@H+]1C	ZINC001283758558	780773167	/nfs/dbraw/zinc/77/31/67/780773167.db2.gz	AIZSRZDRAXPQGL-GRYCIOLGSA-N	2	0	311.386	-1.967	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001283758909	780773423	/nfs/dbraw/zinc/77/34/23/780773423.db2.gz	DFZNWBPYLCIVNK-OLZOCXBDSA-N	2	0	323.397	-1.965	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001283758908	780774302	/nfs/dbraw/zinc/77/43/02/780774302.db2.gz	DFZNWBPYLCIVNK-CHWSQXEVSA-N	2	0	323.397	-1.965	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001176160645	781613901	/nfs/dbraw/zinc/61/39/01/781613901.db2.gz	KBQNSNWMRLBTRD-AWEZNQCLSA-N	2	0	324.425	-1.200	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187115568	781796217	/nfs/dbraw/zinc/79/62/17/781796217.db2.gz	MRTVONYLOZPMEW-CYBMUJFWSA-N	2	0	310.398	-1.496	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001320228866	916481452	/nfs/dbraw/zinc/48/14/52/916481452.db2.gz	CZHCLFCIEXVTRY-UONOGXRCSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001326135037	916901786	/nfs/dbraw/zinc/90/17/86/916901786.db2.gz	NIEVYWJZTUPOBY-UHFFFAOYSA-N	2	0	322.409	-1.758	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001331774113	917333160	/nfs/dbraw/zinc/33/31/60/917333160.db2.gz	KNVMSZFAYOYEGT-CYBMUJFWSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001331774115	917334840	/nfs/dbraw/zinc/33/48/40/917334840.db2.gz	KNVMSZFAYOYEGT-ZDUSSCGKSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC)CC1	ZINC001331839581	917346803	/nfs/dbraw/zinc/34/68/03/917346803.db2.gz	DQCCFCYXOMSZOT-AWEZNQCLSA-N	2	0	324.425	-1.466	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1	ZINC001341105507	917748862	/nfs/dbraw/zinc/74/88/62/917748862.db2.gz	WVXUGXXTIRSCIF-KBPBESRZSA-N	2	0	319.409	-1.044	20	30		DAEDRP
C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000261798039	373155106	/nfs/dbraw/zinc/15/51/06/373155106.db2.gz	LOBWDILIUPXZSU-UONOGXRCSA-N	2	0	321.429	-1.382	20	30		DAEDRP
OC[C@H]1CC[C@H](CO)[NH+]1CC#CC[N@@H+]1[C@@H](CO)CC[C@H]1CO	ZINC000347294458	373264363	/nfs/dbraw/zinc/26/43/63/373264363.db2.gz	DFRHSZLSHBCECK-FPCVCCKLSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C#CCNc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)n1	ZINC000491125991	373430822	/nfs/dbraw/zinc/43/08/22/373430822.db2.gz	JMGGDEZKRSJWGO-UHFFFAOYSA-N	2	0	306.418	-1.871	20	30		DAEDRP
[NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000305156381	337015887	/nfs/dbraw/zinc/01/58/87/337015887.db2.gz	AEJAFKNFDYLAKO-CQSZACIVSA-N	2	0	310.446	-1.387	20	30		DAEDRP
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000178991225	337166731	/nfs/dbraw/zinc/16/67/31/337166731.db2.gz	PVFPCSLERYROOH-AWEZNQCLSA-N	2	0	310.446	-1.517	20	30		DAEDRP
C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1	ZINC000262268797	662424673	/nfs/dbraw/zinc/42/46/73/662424673.db2.gz	GHWBCTCFJGMFFP-HNNXBMFYSA-N	2	0	319.413	-1.020	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@H](COC)C1	ZINC000261946264	663241148	/nfs/dbraw/zinc/24/11/48/663241148.db2.gz	NKBPJQHHGFFYHO-KGLIPLIRSA-N	2	0	311.430	-1.091	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1	ZINC000958725143	664288660	/nfs/dbraw/zinc/28/86/60/664288660.db2.gz	WDHRLSGCDIGMCZ-GJZGRUSLSA-N	2	0	309.410	-1.267	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)CC1	ZINC001078227155	677920130	/nfs/dbraw/zinc/92/01/30/677920130.db2.gz	LKLOWZCBSYTAGT-BPLDGKMQSA-N	2	0	309.410	-1.126	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1	ZINC001078227330	677920214	/nfs/dbraw/zinc/92/02/14/677920214.db2.gz	VILKPMFHMKHFIK-HUUCEWRRSA-N	2	0	309.410	-1.125	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001283815268	775277848	/nfs/dbraw/zinc/27/78/48/775277848.db2.gz	CLPMMMQTZAOGGB-NSHDSACASA-N	2	0	309.370	-2.211	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CN(C)CCO1	ZINC001268524163	775393843	/nfs/dbraw/zinc/39/38/43/775393843.db2.gz	ZOOKACSCECTZTG-IHVVCDCBSA-N	2	0	310.398	-1.119	20	30		DAEDRP
C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C	ZINC001272413223	775759805	/nfs/dbraw/zinc/75/98/05/775759805.db2.gz	ALGDXRRHLAOATP-GRYCIOLGSA-N	2	0	311.386	-1.967	20	30		DAEDRP
C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001272558903	775776521	/nfs/dbraw/zinc/77/65/21/775776521.db2.gz	CRPMUMWQWJQBAW-QWHCGFSZSA-N	2	0	324.425	-1.160	20	30		DAEDRP
C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1	ZINC001127576441	775814071	/nfs/dbraw/zinc/81/40/71/775814071.db2.gz	PXMMJZXCWCPJLN-UHFFFAOYSA-N	2	0	321.385	-1.596	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780442	775864262	/nfs/dbraw/zinc/86/42/62/775864262.db2.gz	YYJJHESEVPPYQU-STQMWFEESA-N	2	0	310.398	-1.142	20	30		DAEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1	ZINC001273235749	776191558	/nfs/dbraw/zinc/19/15/58/776191558.db2.gz	BWVUSQCGUFWJIF-CHWSQXEVSA-N	2	0	323.397	-1.463	20	30		DAEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1	ZINC001273235751	776191975	/nfs/dbraw/zinc/19/19/75/776191975.db2.gz	BWVUSQCGUFWJIF-QWHCGFSZSA-N	2	0	323.397	-1.463	20	30		DAEDRP
C#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1	ZINC001130086178	776492882	/nfs/dbraw/zinc/49/28/82/776492882.db2.gz	OOAULFANEPAMIB-KGLIPLIRSA-N	2	0	320.397	-1.169	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1	ZINC001132848784	776643533	/nfs/dbraw/zinc/64/35/33/776643533.db2.gz	RMTFXYLKGYNGGP-CYBMUJFWSA-N	2	0	310.398	-1.449	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135963557	776776388	/nfs/dbraw/zinc/77/63/88/776776388.db2.gz	TVJPVIWFQRTWHM-ZDUSSCGKSA-N	2	0	324.425	-1.059	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135963556	776776499	/nfs/dbraw/zinc/77/64/99/776776499.db2.gz	TVJPVIWFQRTWHM-CYBMUJFWSA-N	2	0	324.425	-1.059	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151157487	779672947	/nfs/dbraw/zinc/67/29/47/779672947.db2.gz	LXRSGLMIIWTDOR-ZIAGYGMSSA-N	2	0	324.425	-1.202	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC1	ZINC001152334648	779690680	/nfs/dbraw/zinc/69/06/80/779690680.db2.gz	MIFMQZWBJJPTES-UHFFFAOYSA-N	2	0	323.397	-1.507	20	30		DAEDRP
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[C@@H]1[NH3+]	ZINC001157803611	779759516	/nfs/dbraw/zinc/75/95/16/779759516.db2.gz	HCHKJNHJZWLKKR-ZNSHCXBVSA-N	2	0	305.400	-1.111	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1	ZINC001161511294	779841735	/nfs/dbraw/zinc/84/17/35/779841735.db2.gz	YIWCAXZZSQDNJD-UTLUCORTSA-N	2	0	319.383	-2.121	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1	ZINC001161511293	779842499	/nfs/dbraw/zinc/84/24/99/779842499.db2.gz	YIWCAXZZSQDNJD-KXUCPTDWSA-N	2	0	319.383	-2.121	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1	ZINC001164535757	779879520	/nfs/dbraw/zinc/87/95/20/779879520.db2.gz	DMTPEOXLAHYJDJ-CQSZACIVSA-N	2	0	324.425	-1.059	20	30		DAEDRP
C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[NH2+]1	ZINC001219586924	780120695	/nfs/dbraw/zinc/12/06/95/780120695.db2.gz	JPXBTHNWSATWEP-MMWGEVLESA-N	2	0	305.400	-1.050	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC001220431323	780213713	/nfs/dbraw/zinc/21/37/13/780213713.db2.gz	FIOQPFZMWJBSSC-AEJSXWLSSA-N	2	0	307.372	-2.202	20	30		DAEDRP
NC(=O)c1ccc(C(=[NH2+])NC(O)=C2COC3(C[NH2+]C3)CN2)cc1	ZINC001220643353	780237177	/nfs/dbraw/zinc/23/71/77/780237177.db2.gz	BNLLWPWOTQLCOU-NSHDSACASA-N	2	0	317.349	-1.652	20	30		DAEDRP
NC(=O)c1ccc(C(=[NH2+])NC(O)=C2C[C@H]3C[NH2+]C[C@H]3N2)cc1	ZINC001220643327	780237618	/nfs/dbraw/zinc/23/76/18/780237618.db2.gz	ANQWMNWEYHHZHR-SDDRHHMPSA-N	2	0	301.350	-1.033	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)C1	ZINC001220937118	780262782	/nfs/dbraw/zinc/26/27/82/780262782.db2.gz	MKCGVMZLUGSAOI-MXWKQRLJSA-N	2	0	321.399	-1.812	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1	ZINC001280653007	780640976	/nfs/dbraw/zinc/64/09/76/780640976.db2.gz	VMCKZYUJVYKKJS-AWEZNQCLSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CC[N@@H+]1C	ZINC001283758559	780773394	/nfs/dbraw/zinc/77/33/94/780773394.db2.gz	AIZSRZDRAXPQGL-IJLUTSLNSA-N	2	0	311.386	-1.967	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O)CC1	ZINC001284477612	780820213	/nfs/dbraw/zinc/82/02/13/780820213.db2.gz	PFARPCDLMKBHDL-OCCSQVGLSA-N	2	0	324.425	-1.386	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1	ZINC001090831132	781356342	/nfs/dbraw/zinc/35/63/42/781356342.db2.gz	ROMVPYLPYCTLFG-GJZGRUSLSA-N	2	0	309.410	-1.125	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C	ZINC001171217885	781385729	/nfs/dbraw/zinc/38/57/29/781385729.db2.gz	OWSQVFBGEFFKIU-CYBMUJFWSA-N	2	0	312.414	-1.202	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1	ZINC001176926198	781625210	/nfs/dbraw/zinc/62/52/10/781625210.db2.gz	ITPGSLFSEDNMPK-UHFFFAOYSA-N	2	0	323.397	-1.378	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151157485	781705248	/nfs/dbraw/zinc/70/52/48/781705248.db2.gz	LXRSGLMIIWTDOR-KGLIPLIRSA-N	2	0	324.425	-1.202	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187107048	781795298	/nfs/dbraw/zinc/79/52/98/781795298.db2.gz	TUAWWWCYSMTDSQ-UONOGXRCSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187107049	781795358	/nfs/dbraw/zinc/79/53/58/781795358.db2.gz	TUAWWWCYSMTDSQ-ZIAGYGMSSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1	ZINC001187115873	781795763	/nfs/dbraw/zinc/79/57/63/781795763.db2.gz	UUWACXIQKIVERS-GFCCVEGCSA-N	2	0	311.386	-1.605	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001317124531	916268741	/nfs/dbraw/zinc/26/87/41/916268741.db2.gz	PGIMJXUKVRAQER-TXEJJXNPSA-N	2	0	305.382	-1.041	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297120	916501173	/nfs/dbraw/zinc/50/11/73/916501173.db2.gz	YLEYVAVTBFHQLH-CHWSQXEVSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297142	916501932	/nfs/dbraw/zinc/50/19/32/916501932.db2.gz	YLEYVAVTBFHQLH-STQMWFEESA-N	2	0	322.409	-1.713	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001327064186	916989197	/nfs/dbraw/zinc/98/91/97/916989197.db2.gz	SAMKDIUHOSYXHC-CYBMUJFWSA-N	2	0	323.397	-1.461	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)[C@@H](CO)C2)C[C@H]1CO	ZINC001334396495	917486557	/nfs/dbraw/zinc/48/65/57/917486557.db2.gz	IPQXQZPFAUOGMS-IYBDPMFKSA-N	2	0	310.442	-1.794	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)[C@@H](CO)C2)C[C@@H]1CO	ZINC001334396493	917486660	/nfs/dbraw/zinc/48/66/60/917486660.db2.gz	IPQXQZPFAUOGMS-HZPDHXFCSA-N	2	0	310.442	-1.794	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)C[C@H]2CO)[C@H](CO)C1	ZINC001352913218	918133969	/nfs/dbraw/zinc/13/39/69/918133969.db2.gz	QXNNCFQTKVZOFE-HOTGVXAUSA-N	2	0	310.442	-1.794	20	30		DAEDRP
C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@@H](O)C[C@]1(C)CO	ZINC000639846536	373288113	/nfs/dbraw/zinc/28/81/13/373288113.db2.gz	BCDMTLPHXVXFCX-CAOSSQGBSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000491781237	373437770	/nfs/dbraw/zinc/43/77/70/373437770.db2.gz	NMXWAXGIAJLVKN-OLZOCXBDSA-N	2	0	307.398	-1.105	20	30		DAEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1	ZINC000627386711	373673185	/nfs/dbraw/zinc/67/31/85/373673185.db2.gz	VOGYNWAFECGUPW-CYBMUJFWSA-N	2	0	310.398	-1.142	20	30		DAEDRP
C[NH+]=C(NCc1nnc(C)n1C)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000262021206	662696025	/nfs/dbraw/zinc/69/60/25/662696025.db2.gz	YUJCJTIMTYTYML-GFCCVEGCSA-N	2	0	306.418	-1.212	20	30		DAEDRP
CN(C)C(=O)CNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C1CC1	ZINC000262269964	662707308	/nfs/dbraw/zinc/70/73/08/662707308.db2.gz	GPBGZRCWWPVSFC-ZDUSSCGKSA-N	2	0	308.430	-1.228	20	30		DAEDRP
C#CCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1	ZINC001083469046	677722578	/nfs/dbraw/zinc/72/25/78/677722578.db2.gz	DLHWFSKQHOTEGW-KGLIPLIRSA-N	2	0	305.382	-1.147	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334528	782216871	/nfs/dbraw/zinc/21/68/71/782216871.db2.gz	JWFNMAZOKWFRTQ-CQSZACIVSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001273910420	782222580	/nfs/dbraw/zinc/22/25/80/782222580.db2.gz	HVHKGMMLPRNTKM-INIZCTEOSA-N	2	0	324.425	-1.369	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1	ZINC001280680985	782278946	/nfs/dbraw/zinc/27/89/46/782278946.db2.gz	JADWAGMFPKULGN-CQSZACIVSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678953	775155110	/nfs/dbraw/zinc/15/51/10/775155110.db2.gz	YRDANGRJXMENRY-CQSZACIVSA-N	2	0	324.425	-1.105	20	30		DAEDRP
CN1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1	ZINC001267953008	775299186	/nfs/dbraw/zinc/29/91/86/775299186.db2.gz	BRBHEXNBGDUFEZ-OLZOCXBDSA-N	2	0	323.397	-1.463	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001268308489	775363496	/nfs/dbraw/zinc/36/34/96/775363496.db2.gz	NALGQAXASQCAPA-QWHCGFSZSA-N	2	0	324.425	-1.325	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001268310014	775364083	/nfs/dbraw/zinc/36/40/83/775364083.db2.gz	ZTGREYAAJNYDSM-CHWSQXEVSA-N	2	0	323.397	-1.965	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001268316067	775366826	/nfs/dbraw/zinc/36/68/26/775366826.db2.gz	HEIDZNKAQNUAGL-CYBMUJFWSA-N	2	0	324.425	-1.323	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001268316077	775367786	/nfs/dbraw/zinc/36/77/86/775367786.db2.gz	HEIDZNKAQNUAGL-ZDUSSCGKSA-N	2	0	324.425	-1.323	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001272413764	775757937	/nfs/dbraw/zinc/75/79/37/775757937.db2.gz	IQIRZXPPDDJXAI-FRRDWIJNSA-N	2	0	310.398	-1.857	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780198	775863444	/nfs/dbraw/zinc/86/34/44/775863444.db2.gz	WSTDXRSYMVHHLE-QWHCGFSZSA-N	2	0	308.382	-1.695	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780440	775864309	/nfs/dbraw/zinc/86/43/09/775864309.db2.gz	YYJJHESEVPPYQU-OLZOCXBDSA-N	2	0	310.398	-1.142	20	30		DAEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1	ZINC001273235750	776192728	/nfs/dbraw/zinc/19/27/28/776192728.db2.gz	BWVUSQCGUFWJIF-OLZOCXBDSA-N	2	0	323.397	-1.463	20	30		DAEDRP
C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001099973510	776208270	/nfs/dbraw/zinc/20/82/70/776208270.db2.gz	FAHIXGDOQQXRSB-KGLIPLIRSA-N	2	0	324.425	-1.371	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131526083	776574370	/nfs/dbraw/zinc/57/43/70/776574370.db2.gz	XYBMSMTUPIKSCE-UYJPIKCFSA-N	2	0	322.409	-1.142	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135958863	776776476	/nfs/dbraw/zinc/77/64/76/776776476.db2.gz	HFMXRBSOUSNXCF-UHFFFAOYSA-N	2	0	310.398	-1.448	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CCNCCN(C(=O)C[NH2+]CC#C)CC1	ZINC001122181694	779557189	/nfs/dbraw/zinc/55/71/89/779557189.db2.gz	JXGHPTCIVYVTJE-UHFFFAOYSA-N	2	0	319.409	-2.308	20	30		DAEDRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1	ZINC001157720637	779757776	/nfs/dbraw/zinc/75/77/76/779757776.db2.gz	NKZNUDYYJIBIBO-VWYCJHECSA-N	2	0	321.399	-1.860	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158487067	779777181	/nfs/dbraw/zinc/77/71/81/779777181.db2.gz	WADNUGUHDKEAON-CHWSQXEVSA-N	2	0	323.397	-1.415	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158487069	779777210	/nfs/dbraw/zinc/77/72/10/779777210.db2.gz	WADNUGUHDKEAON-QWHCGFSZSA-N	2	0	323.397	-1.415	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C	ZINC001216402303	780012970	/nfs/dbraw/zinc/01/29/70/780012970.db2.gz	YZPQQCBJRRZHCY-ZIAGYGMSSA-N	2	0	324.425	-1.250	20	30		DAEDRP
N#Cc1nc(N)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nc1C#N	ZINC001218596112	780035555	/nfs/dbraw/zinc/03/55/55/780035555.db2.gz	VGZKDXDNUICJFF-XLKFXECMSA-N	2	0	312.337	-1.060	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@]2(F)CCC[NH2+]C2)C1	ZINC001219767984	780146607	/nfs/dbraw/zinc/14/66/07/780146607.db2.gz	JDKFCAYRAYYACX-SCVCMEIPSA-N	2	0	323.390	-1.099	20	30		DAEDRP
COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220035584	780172336	/nfs/dbraw/zinc/17/23/36/780172336.db2.gz	FVYIGCQIIMARSM-UWVGGRQHSA-N	2	0	304.416	-1.676	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC001220431326	780214565	/nfs/dbraw/zinc/21/45/65/780214565.db2.gz	FIOQPFZMWJBSSC-BBBLOLIVSA-N	2	0	307.372	-2.202	20	30		DAEDRP
C=CC[N@H+]1CCC[C@H]1CNC(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220868253	780255332	/nfs/dbraw/zinc/25/53/32/780255332.db2.gz	FOSRCARPDWKZBD-LBPRGKRZSA-N	2	0	318.443	-1.027	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)C1	ZINC001220937117	780261961	/nfs/dbraw/zinc/26/19/61/780261961.db2.gz	MKCGVMZLUGSAOI-AXFHLTTASA-N	2	0	321.399	-1.812	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001278085801	780426886	/nfs/dbraw/zinc/42/68/86/780426886.db2.gz	RUYPAUUVCOYUMN-HZSPNIEDSA-N	2	0	324.425	-1.467	20	30		DAEDRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CC1	ZINC001278146405	780431626	/nfs/dbraw/zinc/43/16/26/780431626.db2.gz	GQCIMIMJBKQJQY-GFCCVEGCSA-N	2	0	311.386	-1.965	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001283819782	780780911	/nfs/dbraw/zinc/78/09/11/780780911.db2.gz	ZPHCARJYAZKTEM-LBPRGKRZSA-N	2	0	308.382	-2.102	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977196	781460700	/nfs/dbraw/zinc/46/07/00/781460700.db2.gz	MQODNEUXPLUKLR-UHFFFAOYSA-N	2	0	323.397	-1.200	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001320228865	916479010	/nfs/dbraw/zinc/47/90/10/916479010.db2.gz	CZHCLFCIEXVTRY-KGLIPLIRSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001320228867	916480540	/nfs/dbraw/zinc/48/05/40/916480540.db2.gz	CZHCLFCIEXVTRY-ZIAGYGMSSA-N	2	0	322.409	-1.856	20	30		DAEDRP
OCC[NH+]1CCN(CC#CCN2CC[NH+](CCO)CC2)CC1	ZINC001321782089	916596233	/nfs/dbraw/zinc/59/62/33/916596233.db2.gz	KAEXLXDAJFYJAL-UHFFFAOYSA-N	2	0	310.442	-1.790	20	30		DAEDRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1	ZINC001325069648	916806221	/nfs/dbraw/zinc/80/62/21/916806221.db2.gz	HLKRTDCDXUULNG-DOMZBBRYSA-N	2	0	323.397	-1.727	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CC1	ZINC001327078558	916988735	/nfs/dbraw/zinc/98/87/35/916988735.db2.gz	FHLKENXQLAETKX-AWEZNQCLSA-N	2	0	322.409	-1.366	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001327064187	916988879	/nfs/dbraw/zinc/98/88/79/916988879.db2.gz	SAMKDIUHOSYXHC-ZDUSSCGKSA-N	2	0	323.397	-1.461	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)[C@H](CO)C2)C[C@H]1CO	ZINC001334396486	917486983	/nfs/dbraw/zinc/48/69/83/917486983.db2.gz	IPQXQZPFAUOGMS-HOTGVXAUSA-N	2	0	310.442	-1.794	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1	ZINC001341105508	917748677	/nfs/dbraw/zinc/74/86/77/917748677.db2.gz	WVXUGXXTIRSCIF-KGLIPLIRSA-N	2	0	319.409	-1.044	20	30		DAEDRP
C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000261798035	373155745	/nfs/dbraw/zinc/15/57/45/373155745.db2.gz	LOBWDILIUPXZSU-KGLIPLIRSA-N	2	0	321.429	-1.382	20	30		DAEDRP
OC[C@H]1CC[C@@H](CO)[N@@H+]1CC#CC[NH+]1[C@H](CO)CC[C@H]1CO	ZINC000347294463	373263074	/nfs/dbraw/zinc/26/30/74/373263074.db2.gz	DFRHSZLSHBCECK-YHUYYLMFSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO	ZINC000639846539	373289390	/nfs/dbraw/zinc/28/93/90/373289390.db2.gz	BCDMTLPHXVXFCX-YHUYYLMFSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@]1(C)CO	ZINC000639846537	373289770	/nfs/dbraw/zinc/28/97/70/373289770.db2.gz	BCDMTLPHXVXFCX-QKPAOTATSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C#CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1	ZINC001083654629	677817854	/nfs/dbraw/zinc/81/78/54/677817854.db2.gz	XTODWKZZOVAARU-NHGZVPIDSA-N	2	0	305.378	-1.356	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1CC#C	ZINC001275184657	782304129	/nfs/dbraw/zinc/30/41/29/782304129.db2.gz	FRONGBYPBHPQBF-KBPBESRZSA-N	2	0	304.394	-1.072	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678952	775154703	/nfs/dbraw/zinc/15/47/03/775154703.db2.gz	YRDANGRJXMENRY-AWEZNQCLSA-N	2	0	324.425	-1.105	20	30		DAEDRP
N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001283815267	775279118	/nfs/dbraw/zinc/27/91/18/775279118.db2.gz	CLPMMMQTZAOGGB-LLVKDONJSA-N	2	0	309.370	-2.211	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001268308488	775362628	/nfs/dbraw/zinc/36/26/28/775362628.db2.gz	NALGQAXASQCAPA-OLZOCXBDSA-N	2	0	324.425	-1.325	20	30		DAEDRP
C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001272558899	775777139	/nfs/dbraw/zinc/77/71/39/775777139.db2.gz	CRPMUMWQWJQBAW-CHWSQXEVSA-N	2	0	324.425	-1.160	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CC1	ZINC001272585033	775784017	/nfs/dbraw/zinc/78/40/17/775784017.db2.gz	SNEVJTNFEHOZMD-KGLIPLIRSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001272582931	775784128	/nfs/dbraw/zinc/78/41/28/775784128.db2.gz	DHUFPMVILURPTQ-KGLIPLIRSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1	ZINC001272584382	775784390	/nfs/dbraw/zinc/78/43/90/775784390.db2.gz	NDHXYERIPRYTEW-AWEZNQCLSA-N	2	0	324.425	-1.514	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779108	775863766	/nfs/dbraw/zinc/86/37/66/775863766.db2.gz	JGJQTRROAQRBBG-NEPJUHHUSA-N	2	0	309.370	-1.805	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779111	775864981	/nfs/dbraw/zinc/86/49/81/775864981.db2.gz	JGJQTRROAQRBBG-NWDGAFQWSA-N	2	0	309.370	-1.805	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1	ZINC001084088184	776167851	/nfs/dbraw/zinc/16/78/51/776167851.db2.gz	VILKPMFHMKHFIK-CABCVRRESA-N	2	0	309.410	-1.125	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001130230020	776499185	/nfs/dbraw/zinc/49/91/85/776499185.db2.gz	DEFIACAWILWGMZ-UHFFFAOYSA-N	2	0	324.425	-1.200	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520075	776573440	/nfs/dbraw/zinc/57/34/40/776573440.db2.gz	SXLAISGFSOAIJU-UYJPIKCFSA-N	2	0	320.393	-1.695	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520037	776573790	/nfs/dbraw/zinc/57/37/90/776573790.db2.gz	RSWHLFLEFJFQFW-MQYJIDSJSA-N	2	0	321.381	-1.805	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520074	776574801	/nfs/dbraw/zinc/57/48/01/776574801.db2.gz	SXLAISGFSOAIJU-MFOWVQHXSA-N	2	0	320.393	-1.695	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1	ZINC001132852778	776643589	/nfs/dbraw/zinc/64/35/89/776643589.db2.gz	UIXKUKXCWLDTJO-UONOGXRCSA-N	2	0	324.425	-1.061	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151156484	779673488	/nfs/dbraw/zinc/67/34/88/779673488.db2.gz	DNDNUJCJRXVXJX-ZDUSSCGKSA-N	2	0	310.398	-1.590	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1	ZINC001152330575	779690243	/nfs/dbraw/zinc/69/02/43/779690243.db2.gz	RQZPLPJXTRWZSL-UHFFFAOYSA-N	2	0	309.370	-1.768	20	30		DAEDRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1	ZINC001157720636	779757487	/nfs/dbraw/zinc/75/74/87/779757487.db2.gz	NKZNUDYYJIBIBO-MXWKQRLJSA-N	2	0	321.399	-1.860	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1	ZINC001158187203	779771387	/nfs/dbraw/zinc/77/13/87/779771387.db2.gz	OCQUWALBOONJHH-OWNCLDLKSA-N	2	0	303.384	-1.357	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)C1	ZINC001158424843	779775755	/nfs/dbraw/zinc/77/57/55/779775755.db2.gz	UMERGZODAYBADS-VPOLOUISSA-N	2	0	303.384	-1.344	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158487068	779776745	/nfs/dbraw/zinc/77/67/45/779776745.db2.gz	WADNUGUHDKEAON-OLZOCXBDSA-N	2	0	323.397	-1.415	20	30		DAEDRP
N#Cc1nccnc1N1CCN(C(=O)C[NH2+]CCC[NH3+])CC1	ZINC001160635985	779813432	/nfs/dbraw/zinc/81/34/32/779813432.db2.gz	GNWFGHOORDZNJP-UHFFFAOYSA-N	2	0	303.370	-1.065	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)C1	ZINC001160650016	779814425	/nfs/dbraw/zinc/81/44/25/779814425.db2.gz	QGJRZRSFDFSNRN-RGOKHQFPSA-N	2	0	309.363	-1.409	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@](F)(C[NH3+])C2)C1	ZINC001161246994	779830408	/nfs/dbraw/zinc/83/04/08/779830408.db2.gz	UFAPLLCQHJFSSX-WCABBAIRSA-N	2	0	309.363	-1.408	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@](F)(C[NH3+])C2)C1	ZINC001161246995	779830754	/nfs/dbraw/zinc/83/07/54/779830754.db2.gz	UFAPLLCQHJFSSX-YWVKMMECSA-N	2	0	309.363	-1.408	20	30		DAEDRP
C[C@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[C@H](C)[NH2+]1	ZINC001161231784	779831690	/nfs/dbraw/zinc/83/16/90/779831690.db2.gz	QJXMSJCNCHMPKL-MMWGEVLESA-N	2	0	305.400	-1.098	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)C1	ZINC001221368032	780292714	/nfs/dbraw/zinc/29/27/14/780292714.db2.gz	WABAMXZHAFCYLA-DOLQZWNJSA-N	2	0	309.363	-1.491	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001278792212	780489273	/nfs/dbraw/zinc/48/92/73/780489273.db2.gz	SEZHJRVSFJLNRC-QWHCGFSZSA-N	2	0	310.398	-1.761	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001278803540	780490553	/nfs/dbraw/zinc/49/05/53/780490553.db2.gz	APKODDHAHAGAKE-CQSZACIVSA-N	2	0	324.425	-1.514	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001278826386	780493310	/nfs/dbraw/zinc/49/33/10/780493310.db2.gz	FIMUDNTYGPJBPY-CYBMUJFWSA-N	2	0	324.425	-1.207	20	30		DAEDRP
CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1CCCC1	ZINC001278831996	780494900	/nfs/dbraw/zinc/49/49/00/780494900.db2.gz	GOUNGNCUUSXLKH-LBPRGKRZSA-N	2	0	311.386	-1.869	20	30		DAEDRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001258899141	780523960	/nfs/dbraw/zinc/52/39/60/780523960.db2.gz	GJVKDVXINJELOP-XLWJZTARSA-N	2	0	320.430	-1.271	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001283819781	780780956	/nfs/dbraw/zinc/78/09/56/780780956.db2.gz	ZPHCARJYAZKTEM-GFCCVEGCSA-N	2	0	308.382	-2.102	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O)CC1	ZINC001284477610	780819726	/nfs/dbraw/zinc/81/97/26/780819726.db2.gz	PFARPCDLMKBHDL-JSGCOSHPSA-N	2	0	324.425	-1.386	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O)CC1	ZINC001284477614	780820183	/nfs/dbraw/zinc/82/01/83/780820183.db2.gz	PFARPCDLMKBHDL-TZMCWYRMSA-N	2	0	324.425	-1.386	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1	ZINC001090831135	781354626	/nfs/dbraw/zinc/35/46/26/781354626.db2.gz	ROMVPYLPYCTLFG-LSDHHAIUSA-N	2	0	309.410	-1.125	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1	ZINC001090831131	781356271	/nfs/dbraw/zinc/35/62/71/781356271.db2.gz	ROMVPYLPYCTLFG-CABCVRRESA-N	2	0	309.410	-1.125	20	30		DAEDRP
C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147893801	781458881	/nfs/dbraw/zinc/45/88/81/781458881.db2.gz	UCLSXESDNJLIAE-LBPRGKRZSA-N	2	0	300.403	-1.039	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151157484	781705171	/nfs/dbraw/zinc/70/51/71/781705171.db2.gz	LXRSGLMIIWTDOR-KBPBESRZSA-N	2	0	324.425	-1.202	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)CC1	ZINC001331839944	917347075	/nfs/dbraw/zinc/34/70/75/917347075.db2.gz	GWTWEOMNLUTVQY-CYBMUJFWSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	ZINC001336689985	917602456	/nfs/dbraw/zinc/60/24/56/917602456.db2.gz	XLZUDCGRBZUEIJ-OLZOCXBDSA-N	2	0	306.366	-1.007	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000261832080	372873126	/nfs/dbraw/zinc/87/31/26/372873126.db2.gz	BUUGLUGAUVELEC-NSHDSACASA-N	2	0	311.386	-1.215	20	30		DAEDRP
C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000261798043	373155165	/nfs/dbraw/zinc/15/51/65/373155165.db2.gz	LOBWDILIUPXZSU-ZIAGYGMSSA-N	2	0	321.429	-1.382	20	30		DAEDRP
C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000261798031	373155211	/nfs/dbraw/zinc/15/52/11/373155211.db2.gz	LOBWDILIUPXZSU-KBPBESRZSA-N	2	0	321.429	-1.382	20	30		DAEDRP
CN(C)C(=O)CNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C1CC1	ZINC000262269963	337616246	/nfs/dbraw/zinc/61/62/46/337616246.db2.gz	GPBGZRCWWPVSFC-CYBMUJFWSA-N	2	0	308.430	-1.228	20	30		DAEDRP
C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197825177	782142679	/nfs/dbraw/zinc/14/26/79/782142679.db2.gz	AYHQARAUMRGODF-ZIAGYGMSSA-N	2	0	315.414	-1.072	20	30		DAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C(C)=O)CC1	ZINC000262788520	662716804	/nfs/dbraw/zinc/71/68/04/662716804.db2.gz	QZQRULJKXSNMBR-CQSZACIVSA-N	2	0	308.430	-1.274	20	30		DAEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1	ZINC000911235432	663140359	/nfs/dbraw/zinc/14/03/59/663140359.db2.gz	DPJHTGNZKPAEKT-UHFFFAOYSA-N	2	0	323.441	-1.226	20	30		DAEDRP
C=C(C[NH+](C)C)C(=O)NC[C@H](CO)NC(=O)C(=C)C[NH+](C)C	ZINC000913919007	663237932	/nfs/dbraw/zinc/23/79/32/663237932.db2.gz	YCWKDXQGARUBHM-CYBMUJFWSA-N	2	0	312.414	-1.185	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1	ZINC000958725137	664288428	/nfs/dbraw/zinc/28/84/28/664288428.db2.gz	WDHRLSGCDIGMCZ-CABCVRRESA-N	2	0	309.410	-1.267	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1	ZINC001047638234	678539494	/nfs/dbraw/zinc/53/94/94/678539494.db2.gz	HVYFSKHIJPEQSE-GJZGRUSLSA-N	2	0	309.410	-1.173	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001268308487	775362833	/nfs/dbraw/zinc/36/28/33/775362833.db2.gz	NALGQAXASQCAPA-CHWSQXEVSA-N	2	0	324.425	-1.325	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001268310022	775363998	/nfs/dbraw/zinc/36/39/98/775363998.db2.gz	ZTGREYAAJNYDSM-STQMWFEESA-N	2	0	323.397	-1.965	20	30		DAEDRP
C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)CCN1CCOCC1	ZINC001268750506	775420856	/nfs/dbraw/zinc/42/08/56/775420856.db2.gz	MCIGJBGOSIPKRE-CQSZACIVSA-N	2	0	324.425	-1.105	20	30		DAEDRP
N#CCNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1	ZINC001269522562	775469843	/nfs/dbraw/zinc/46/98/43/775469843.db2.gz	PZLDAOGYCITZOZ-UHFFFAOYSA-N	2	0	305.382	-1.040	20	30		DAEDRP
C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)C1	ZINC001272307563	775747565	/nfs/dbraw/zinc/74/75/65/775747565.db2.gz	SZTFLNUELZEOKW-LBPRGKRZSA-N	2	0	311.386	-2.012	20	30		DAEDRP
C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001272558905	775776798	/nfs/dbraw/zinc/77/67/98/775776798.db2.gz	CRPMUMWQWJQBAW-STQMWFEESA-N	2	0	324.425	-1.160	20	30		DAEDRP
C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001272558901	775777108	/nfs/dbraw/zinc/77/71/08/775777108.db2.gz	CRPMUMWQWJQBAW-OLZOCXBDSA-N	2	0	324.425	-1.160	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC1	ZINC001272584383	775783625	/nfs/dbraw/zinc/78/36/25/775783625.db2.gz	NDHXYERIPRYTEW-CQSZACIVSA-N	2	0	324.425	-1.514	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001272585037	775783988	/nfs/dbraw/zinc/78/39/88/775783988.db2.gz	SNEVJTNFEHOZMD-ZIAGYGMSSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001272582930	775784154	/nfs/dbraw/zinc/78/41/54/775784154.db2.gz	DHUFPMVILURPTQ-KBPBESRZSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1	ZINC001273235752	776192022	/nfs/dbraw/zinc/19/20/22/776192022.db2.gz	BWVUSQCGUFWJIF-STQMWFEESA-N	2	0	323.397	-1.463	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1	ZINC001273277111	776202777	/nfs/dbraw/zinc/20/27/77/776202777.db2.gz	QFSNXZVKGNQEAL-ZIAGYGMSSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1	ZINC001099973512	776207338	/nfs/dbraw/zinc/20/73/38/776207338.db2.gz	FAHIXGDOQQXRSB-ZIAGYGMSSA-N	2	0	324.425	-1.371	20	30		DAEDRP
C#CCNC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001099973509	776207783	/nfs/dbraw/zinc/20/77/83/776207783.db2.gz	FAHIXGDOQQXRSB-KBPBESRZSA-N	2	0	324.425	-1.371	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151097246	779670549	/nfs/dbraw/zinc/67/05/49/779670549.db2.gz	MCJUKKIZVOKXKO-UHFFFAOYSA-N	2	0	311.386	-1.200	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1	ZINC001152334369	779690548	/nfs/dbraw/zinc/69/05/48/779690548.db2.gz	CGBKRULQDUCZPD-UHFFFAOYSA-N	2	0	305.382	-1.323	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)C1	ZINC001158214939	779771018	/nfs/dbraw/zinc/77/10/18/779771018.db2.gz	FWQHNCKKEWJQGK-VPOLOUISSA-N	2	0	303.384	-1.344	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)C1	ZINC001158424845	779775418	/nfs/dbraw/zinc/77/54/18/779775418.db2.gz	UMERGZODAYBADS-ZNSHCXBVSA-N	2	0	303.384	-1.344	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158487070	779777177	/nfs/dbraw/zinc/77/71/77/779777177.db2.gz	WADNUGUHDKEAON-STQMWFEESA-N	2	0	323.397	-1.415	20	30		DAEDRP
N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])CCC[NH3+])c1N	ZINC001218597374	780035151	/nfs/dbraw/zinc/03/51/51/780035151.db2.gz	SOXRTDMMVKOPFK-VIFPVBQESA-N	2	0	304.358	-1.311	20	30		DAEDRP
NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]CC23C[NH2+]C3)cc1	ZINC001220643891	780237855	/nfs/dbraw/zinc/23/78/55/780237855.db2.gz	XDQZHYVKBORNPO-LLVKDONJSA-N	2	0	301.350	-1.174	20	30		DAEDRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC1	ZINC001278146406	780432294	/nfs/dbraw/zinc/43/22/94/780432294.db2.gz	GQCIMIMJBKQJQY-LBPRGKRZSA-N	2	0	311.386	-1.965	20	30		DAEDRP
C[C@@H](C#N)S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239132066	780443353	/nfs/dbraw/zinc/44/33/53/780443353.db2.gz	ZESAEFBQRHWVHG-JTQLQIEISA-N	2	0	305.404	-1.656	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C	ZINC001179934366	781664752	/nfs/dbraw/zinc/66/47/52/781664752.db2.gz	ZWELUEOKONYKCV-KBPBESRZSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001320297019	916501471	/nfs/dbraw/zinc/50/14/71/916501471.db2.gz	XCDQFLQNTUPELS-CHWSQXEVSA-N	2	0	310.398	-1.856	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297141	916501869	/nfs/dbraw/zinc/50/18/69/916501869.db2.gz	YLEYVAVTBFHQLH-QWHCGFSZSA-N	2	0	322.409	-1.713	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001322089914	916620075	/nfs/dbraw/zinc/62/00/75/916620075.db2.gz	WLIQGHQSDNDJKB-NSHDSACASA-N	2	0	323.397	-1.379	20	30		DAEDRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1	ZINC001325069650	916807541	/nfs/dbraw/zinc/80/75/41/916807541.db2.gz	HLKRTDCDXUULNG-SWLSCSKDSA-N	2	0	323.397	-1.727	20	30		DAEDRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1	ZINC001325069649	916808421	/nfs/dbraw/zinc/80/84/21/916808421.db2.gz	HLKRTDCDXUULNG-IUODEOHRSA-N	2	0	323.397	-1.727	20	30		DAEDRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1	ZINC001325069651	916810165	/nfs/dbraw/zinc/81/01/65/916810165.db2.gz	HLKRTDCDXUULNG-WFASDCNBSA-N	2	0	323.397	-1.727	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC)CC1	ZINC001331839585	917346073	/nfs/dbraw/zinc/34/60/73/917346073.db2.gz	DQCCFCYXOMSZOT-CQSZACIVSA-N	2	0	324.425	-1.466	20	30		DAEDRP
C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1	ZINC001341105510	917748496	/nfs/dbraw/zinc/74/84/96/917748496.db2.gz	WVXUGXXTIRSCIF-ZIAGYGMSSA-N	2	0	319.409	-1.044	20	30		DAEDRP
C[NH+]1CCN(CC#CCN2CC[N@@H+](C)C[C@@H]2CO)[C@H](CO)C1	ZINC001352913221	918133746	/nfs/dbraw/zinc/13/37/46/918133746.db2.gz	QXNNCFQTKVZOFE-IYBDPMFKSA-N	2	0	310.442	-1.794	20	30		DAEDRP
OC[C@H]1CC[C@@H](CO)[NH+]1CC#CC[N@@H+]1[C@@H](CO)CC[C@H]1CO	ZINC000347294460	373263760	/nfs/dbraw/zinc/26/37/60/373263760.db2.gz	DFRHSZLSHBCECK-GEEKYZPCSA-N	2	0	312.410	-1.375	20	30		DAEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000491781238	373438035	/nfs/dbraw/zinc/43/80/35/373438035.db2.gz	NMXWAXGIAJLVKN-QWHCGFSZSA-N	2	0	307.398	-1.105	20	30		DAEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000491781236	373437022	/nfs/dbraw/zinc/43/70/22/373437022.db2.gz	NMXWAXGIAJLVKN-CHWSQXEVSA-N	2	0	307.398	-1.105	20	30		DAEDRP
OC[C@H]1CCN(CC#CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O	ZINC000568558316	373544851	/nfs/dbraw/zinc/54/48/51/373544851.db2.gz	VESGYULXGKKDJY-FZKCQIBNSA-N	2	0	312.410	-1.660	20	30		DAEDRP
OC[C@H]1CCN(CC#CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O	ZINC000568558319	373545740	/nfs/dbraw/zinc/54/57/40/373545740.db2.gz	VESGYULXGKKDJY-SYMSYNOKSA-N	2	0	312.410	-1.660	20	30		DAEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1	ZINC000627386712	373673066	/nfs/dbraw/zinc/67/30/66/373673066.db2.gz	VOGYNWAFECGUPW-ZDUSSCGKSA-N	2	0	310.398	-1.142	20	30		DAEDRP
OC[C@@H]1CC[C@@H](CO)[NH+]1CC#CC[NH+]1[C@H](CO)CC[C@H]1CO	ZINC000347294462	335482280	/nfs/dbraw/zinc/48/22/80/335482280.db2.gz	DFRHSZLSHBCECK-VGWMRTNUSA-N	2	0	312.410	-1.375	20	30		DAEDRP
[NH2+]=C(NCCCN1CCOCC1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000305156379	337015878	/nfs/dbraw/zinc/01/58/78/337015878.db2.gz	AEJAFKNFDYLAKO-AWEZNQCLSA-N	2	0	310.446	-1.387	20	30		DAEDRP
C[NH+]=C(NCc1nnc(C)n1C)NC[C@H]1C[NH+]2CCN1CC2	ZINC000262021210	662696149	/nfs/dbraw/zinc/69/61/49/662696149.db2.gz	YUJCJTIMTYTYML-LBPRGKRZSA-N	2	0	306.418	-1.212	20	30		DAEDRP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(C(C)=O)CC1	ZINC000262829300	662717431	/nfs/dbraw/zinc/71/74/31/662717431.db2.gz	ZLCQSSZSVLPPMR-AWEZNQCLSA-N	2	0	310.446	-1.028	20	30		DAEDRP
C#CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1	ZINC001083654628	677817785	/nfs/dbraw/zinc/81/77/85/677817785.db2.gz	XTODWKZZOVAARU-MXIHSMQYSA-N	2	0	305.378	-1.356	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)CC1	ZINC001078227156	677920181	/nfs/dbraw/zinc/92/01/81/677920181.db2.gz	LKLOWZCBSYTAGT-NWANDNLSSA-N	2	0	309.410	-1.126	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334525	782216992	/nfs/dbraw/zinc/21/69/92/782216992.db2.gz	JWFNMAZOKWFRTQ-AWEZNQCLSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1	ZINC001100870865	782587193	/nfs/dbraw/zinc/58/71/93/782587193.db2.gz	PTTJODOSWFENQD-UHFFFAOYSA-N	2	0	324.425	-1.202	20	30		DAEDRP
Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21	ZINC001115243123	782648581	/nfs/dbraw/zinc/64/85/81/782648581.db2.gz	JEMONYPIDPLTPO-JYAVWHMHSA-N	2	0	316.365	-1.122	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001267469064	775245648	/nfs/dbraw/zinc/24/56/48/775245648.db2.gz	JCOFZDWFIKMBSE-CQSZACIVSA-N	2	0	324.425	-1.248	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001268316171	775367228	/nfs/dbraw/zinc/36/72/28/775367228.db2.gz	QXMGZLRDIYLNML-ZDUSSCGKSA-N	2	0	324.425	-1.016	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CN(C)CCO1	ZINC001268524165	775393873	/nfs/dbraw/zinc/39/38/73/775393873.db2.gz	ZOOKACSCECTZTG-MUBLQREKSA-N	2	0	310.398	-1.119	20	30		DAEDRP
C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001272582933	775783599	/nfs/dbraw/zinc/78/35/99/775783599.db2.gz	DHUFPMVILURPTQ-ZIAGYGMSSA-N	2	0	324.425	-1.064	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780441	775864119	/nfs/dbraw/zinc/86/41/19/775864119.db2.gz	YYJJHESEVPPYQU-QWHCGFSZSA-N	2	0	310.398	-1.142	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779116	775864471	/nfs/dbraw/zinc/86/44/71/775864471.db2.gz	JGJQTRROAQRBBG-VXGBXAGGSA-N	2	0	309.370	-1.805	20	30		DAEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)CC1	ZINC001084090125	776168333	/nfs/dbraw/zinc/16/83/33/776168333.db2.gz	LKLOWZCBSYTAGT-CFVMTHIKSA-N	2	0	309.410	-1.126	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1	ZINC001273301146	776203683	/nfs/dbraw/zinc/20/36/83/776203683.db2.gz	QBIUXSADVAMOHM-ZIAGYGMSSA-N	2	0	322.409	-1.353	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1	ZINC001273316283	776206102	/nfs/dbraw/zinc/20/61/02/776206102.db2.gz	QFSNXZVKGNQEAL-KGLIPLIRSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1	ZINC001273316282	776206499	/nfs/dbraw/zinc/20/64/99/776206499.db2.gz	QFSNXZVKGNQEAL-KBPBESRZSA-N	2	0	324.425	-1.107	20	30		DAEDRP
C#CCNC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1	ZINC001099973511	776208306	/nfs/dbraw/zinc/20/83/06/776208306.db2.gz	FAHIXGDOQQXRSB-UONOGXRCSA-N	2	0	324.425	-1.371	20	30		DAEDRP
N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520036	776573695	/nfs/dbraw/zinc/57/36/95/776573695.db2.gz	RSWHLFLEFJFQFW-AVERBVTBSA-N	2	0	321.381	-1.805	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131526082	776575074	/nfs/dbraw/zinc/57/50/74/776575074.db2.gz	XYBMSMTUPIKSCE-MFOWVQHXSA-N	2	0	322.409	-1.142	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1	ZINC001132848785	776642602	/nfs/dbraw/zinc/64/26/02/776642602.db2.gz	RMTFXYLKGYNGGP-ZDUSSCGKSA-N	2	0	310.398	-1.449	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1	ZINC001132852777	776643460	/nfs/dbraw/zinc/64/34/60/776643460.db2.gz	UIXKUKXCWLDTJO-KGLIPLIRSA-N	2	0	324.425	-1.061	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1	ZINC001134020773	776687040	/nfs/dbraw/zinc/68/70/40/776687040.db2.gz	GVDONLRUPSPHLR-AWEZNQCLSA-N	2	0	324.425	-1.058	20	30		DAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C	ZINC001124872495	779604771	/nfs/dbraw/zinc/60/47/71/779604771.db2.gz	HUKFXTWRZGLLCK-NSHDSACASA-N	2	0	311.386	-1.202	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151157486	779673239	/nfs/dbraw/zinc/67/32/39/779673239.db2.gz	LXRSGLMIIWTDOR-UONOGXRCSA-N	2	0	324.425	-1.202	20	30		DAEDRP
N#CCCN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001160483002	779807562	/nfs/dbraw/zinc/80/75/62/779807562.db2.gz	FABVHIODIMIYPN-AWEZNQCLSA-N	2	0	308.430	-1.205	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1	ZINC001160643374	779814788	/nfs/dbraw/zinc/81/47/88/779814788.db2.gz	FWLPFPJDGIJPQD-UTLUCORTSA-N	2	0	307.372	-2.121	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1	ZINC001161413321	779836107	/nfs/dbraw/zinc/83/61/07/779836107.db2.gz	PFEBTTJBYVNLJS-OSUNSFLBSA-N	2	0	317.411	-1.111	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1	ZINC001219635753	780128961	/nfs/dbraw/zinc/12/89/61/780128961.db2.gz	QFAGDIGGQIJECU-QEYWKRMJSA-N	2	0	309.363	-1.491	20	30		DAEDRP
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[NH2+]1	ZINC001219684785	780134160	/nfs/dbraw/zinc/13/41/60/780134160.db2.gz	SAIDLEZBGLXDQM-DBIOUOCHSA-N	2	0	305.400	-1.193	20	30		DAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@]2(F)CCC[NH2+]C2)C1	ZINC001219767983	780146009	/nfs/dbraw/zinc/14/60/09/780146009.db2.gz	JDKFCAYRAYYACX-JFGNBEQYSA-N	2	0	323.390	-1.099	20	30		DAEDRP
C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220043119	780173174	/nfs/dbraw/zinc/17/31/74/780173174.db2.gz	FYHACZPNRVENLE-ZDUSSCGKSA-N	2	0	311.430	-1.065	20	30		DAEDRP
C=CCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768223	780245750	/nfs/dbraw/zinc/24/57/50/780245750.db2.gz	AYHQARAUMRGODF-KGLIPLIRSA-N	2	0	315.414	-1.072	20	30		DAEDRP
C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1	ZINC001220830938	780250542	/nfs/dbraw/zinc/25/05/42/780250542.db2.gz	KKSRMBAQNYJSHD-MJBXVCDLSA-N	2	0	324.425	-1.373	20	30		DAEDRP
C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1	ZINC001220830937	780250595	/nfs/dbraw/zinc/25/05/95/780250595.db2.gz	KKSRMBAQNYJSHD-MCIONIFRSA-N	2	0	324.425	-1.373	20	30		DAEDRP
C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001278086068	780427562	/nfs/dbraw/zinc/42/75/62/780427562.db2.gz	SVTRLZZJACGBAO-ZIAGYGMSSA-N	2	0	322.409	-1.856	20	30		DAEDRP
C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001278148474	780432329	/nfs/dbraw/zinc/43/23/29/780432329.db2.gz	VWSFCENJNBPNAS-ZDUSSCGKSA-N	2	0	312.414	-1.303	20	30		DAEDRP
C=CCOC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246057568	780449356	/nfs/dbraw/zinc/44/93/56/780449356.db2.gz	ZVMQUACAGVQJMV-CYBMUJFWSA-N	2	0	302.419	-1.334	20	30		DAEDRP
C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001278792470	780488596	/nfs/dbraw/zinc/48/85/96/780488596.db2.gz	UEUCWTKWPFBMRY-QWHCGFSZSA-N	2	0	312.414	-1.208	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001278792203	780489337	/nfs/dbraw/zinc/48/93/37/780489337.db2.gz	SEZHJRVSFJLNRC-CHWSQXEVSA-N	2	0	310.398	-1.761	20	30		DAEDRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001258899140	780523598	/nfs/dbraw/zinc/52/35/98/780523598.db2.gz	GJVKDVXINJELOP-VQJWOFKYSA-N	2	0	320.430	-1.271	20	30		DAEDRP
C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O	ZINC001265864971	780611922	/nfs/dbraw/zinc/61/19/22/780611922.db2.gz	SAKFACJVGIIHLY-LBPRGKRZSA-N	2	0	323.397	-1.283	20	30		DAEDRP
C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1	ZINC001280653009	780641102	/nfs/dbraw/zinc/64/11/02/780641102.db2.gz	VMCKZYUJVYKKJS-CQSZACIVSA-N	2	0	324.425	-1.105	20	30		DAEDRP
C#CCNC(=O)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1	ZINC001281264576	780675449	/nfs/dbraw/zinc/67/54/49/780675449.db2.gz	MUEDZUARFVHZQS-UHFFFAOYSA-N	2	0	324.425	-1.058	20	30		DAEDRP
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C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O)CC1	ZINC001284477609	780819201	/nfs/dbraw/zinc/81/92/01/780819201.db2.gz	PFARPCDLMKBHDL-GXTWGEPZSA-N	2	0	324.425	-1.386	20	30		DAEDRP
C=CCNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C	ZINC001171198591	781379268	/nfs/dbraw/zinc/37/92/68/781379268.db2.gz	QCSKGAYAECEZSA-UHFFFAOYSA-N	2	0	300.403	-1.037	20	30		DAEDRP
C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C	ZINC001171217887	781385982	/nfs/dbraw/zinc/38/59/82/781385982.db2.gz	OWSQVFBGEFFKIU-ZDUSSCGKSA-N	2	0	312.414	-1.202	20	30		DAEDRP