smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1	ZINC000065591949	348722870	/nfs/dbraw/zinc/72/28/70/348722870.db2.gz	FNTNQSJRULLCGO-HNNXBMFYSA-N	2	1	277.412	0.932	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccnc1	ZINC000225546290	230399408	/nfs/dbraw/zinc/39/94/08/230399408.db2.gz	UGNQSPWDXWCHJK-UHFFFAOYSA-N	2	1	291.399	0.251	50	30		CCEAMP
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000230192303	352106740	/nfs/dbraw/zinc/10/67/40/352106740.db2.gz	SMSVIRGTQGPZKI-KGLIPLIRSA-N	2	1	288.395	0.813	50	30		CCEAMP
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000230192303	352106743	/nfs/dbraw/zinc/10/67/43/352106743.db2.gz	SMSVIRGTQGPZKI-KGLIPLIRSA-N	2	1	288.395	0.813	50	30		CCEAMP
[NH2+]=C(NCC[NH2+]Cc1ccccc1)NC[C@@H]1CCCO1	ZINC000058154471	327010194	/nfs/dbraw/zinc/01/01/94/327010194.db2.gz	QULKZDFRPQMRJS-AWEZNQCLSA-N	2	1	276.384	0.860	50	30		CCEAMP
C[NH+]=C(NCCCOC)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000078751951	349152518	/nfs/dbraw/zinc/15/25/18/349152518.db2.gz	GSGMDBRPGDTKQT-LLVKDONJSA-N	2	1	256.394	0.671	50	30		CCEAMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCCC#N)CC1	ZINC000078777035	349151883	/nfs/dbraw/zinc/15/18/83/349151883.db2.gz	WOUDIBJLGOHABJ-ZDUSSCGKSA-N	2	1	296.415	0.041	50	30		CCEAMP
C=CCNC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]CCOC	ZINC000107483446	411699149	/nfs/dbraw/zinc/69/91/49/411699149.db2.gz	FIYQZHPBVPNMRQ-UONOGXRCSA-N	2	1	296.415	0.217	50	30		CCEAMP
C=CC[C@]1(C(=O)N2CC[NH+](C[C@@H](O)CC)CC2)CCC[NH2+]1	ZINC000888095947	613423012	/nfs/dbraw/zinc/42/30/12/613423012.db2.gz	FYDCHVCLPYQLTF-GOEBONIOSA-N	2	1	295.427	0.600	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1	ZINC000252540391	389265175	/nfs/dbraw/zinc/26/51/75/389265175.db2.gz	PIPJCSQNGZNDLC-ZDUSSCGKSA-N	2	1	261.373	0.970	50	30		CCEAMP
C=CCC(C)(C)C[N@@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1	ZINC000067742287	518685330	/nfs/dbraw/zinc/68/53/30/518685330.db2.gz	FGSZKKQXSITQEV-GJZGRUSLSA-N	2	1	281.444	0.881	50	30		CCEAMP
C=CCC(C)(C)C[N@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1	ZINC000067742287	518685332	/nfs/dbraw/zinc/68/53/32/518685332.db2.gz	FGSZKKQXSITQEV-GJZGRUSLSA-N	2	1	281.444	0.881	50	30		CCEAMP
[NH2+]=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCSCC1	ZINC000195546697	351918715	/nfs/dbraw/zinc/91/87/15/351918715.db2.gz	XPFQJYXEQXJPDH-OLZOCXBDSA-N	2	1	298.456	0.603	50	30		CCEAMP
[NH2+]=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCSCC1	ZINC000195546697	351918719	/nfs/dbraw/zinc/91/87/19/351918719.db2.gz	XPFQJYXEQXJPDH-OLZOCXBDSA-N	2	1	298.456	0.603	50	30		CCEAMP
CC[NH+]1CCN(C[C@H](C)CNC(NC)=[NH+]C)CC1	ZINC000253415438	352535114	/nfs/dbraw/zinc/53/51/14/352535114.db2.gz	CTBCQAPJQPPSOX-GFCCVEGCSA-N	2	1	255.410	0.055	50	30		CCEAMP
CC(C)C[N@H+]1CCO[C@@H](C[NH+]=C(N(C)C)N(C)C)C1	ZINC000097212323	389066947	/nfs/dbraw/zinc/06/69/47/389066947.db2.gz	BKCBWVKXNFPHEF-ZDUSSCGKSA-N	2	1	270.421	0.822	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nccs1	ZINC000170907210	350872393	/nfs/dbraw/zinc/87/23/93/350872393.db2.gz	XZKLDDSEBZFYOF-UHFFFAOYSA-N	2	1	283.401	0.270	50	30		CCEAMP
CCOC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1	ZINC000187142308	351530978	/nfs/dbraw/zinc/53/09/78/351530978.db2.gz	GWRLEUPWZUUZLB-UHFFFAOYSA-N	2	1	286.420	0.428	50	30		CCEAMP
CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1	ZINC000058289333	348624783	/nfs/dbraw/zinc/62/47/83/348624783.db2.gz	YZUNHGXWCDVQEZ-UHFFFAOYSA-N	2	1	262.357	0.553	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOC	ZINC000170913830	350873128	/nfs/dbraw/zinc/87/31/28/350873128.db2.gz	WQFVCILDRPIXRQ-GFCCVEGCSA-N	2	1	256.394	0.802	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1	ZINC000255960468	389268907	/nfs/dbraw/zinc/26/89/07/389268907.db2.gz	FCHIMFOAKKOGHV-NWDGAFQWSA-N	2	1	254.378	0.554	50	30		CCEAMP
CC[C@H](C)NC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]C	ZINC000071804066	348911781	/nfs/dbraw/zinc/91/17/81/348911781.db2.gz	GKWNTTRKECYQEF-YNEHKIRRSA-N	2	1	268.405	0.813	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOC	ZINC000170913831	350873204	/nfs/dbraw/zinc/87/32/04/350873204.db2.gz	WQFVCILDRPIXRQ-LBPRGKRZSA-N	2	1	256.394	0.802	50	30		CCEAMP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000071889001	176291161	/nfs/dbraw/zinc/29/11/61/176291161.db2.gz	OKVURGIPOKCDSX-AWEZNQCLSA-N	2	1	289.423	0.932	50	30		CCEAMP
C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000106868738	389094435	/nfs/dbraw/zinc/09/44/35/389094435.db2.gz	NSQNCWCMEAGXCM-UONOGXRCSA-N	2	1	297.443	0.702	50	30		CCEAMP
C=CC[C@]1(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)CCC[NH2+]1	ZINC000888095946	613423025	/nfs/dbraw/zinc/42/30/25/613423025.db2.gz	FYDCHVCLPYQLTF-GDBMZVCRSA-N	2	1	295.427	0.600	50	30		CCEAMP
[NH2+]=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCSCC1	ZINC000090064871	349424208	/nfs/dbraw/zinc/42/42/08/349424208.db2.gz	XPFQJYXEQXJPDH-STQMWFEESA-N	2	1	298.456	0.603	50	30		CCEAMP
[NH2+]=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCSCC1	ZINC000090064871	349424209	/nfs/dbraw/zinc/42/42/09/349424209.db2.gz	XPFQJYXEQXJPDH-STQMWFEESA-N	2	1	298.456	0.603	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCOCC1	ZINC000170904742	350872484	/nfs/dbraw/zinc/87/24/84/350872484.db2.gz	HQSUJDBWYTWVAI-UHFFFAOYSA-N	2	1	284.404	0.040	50	30		CCEAMP
C=CCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000069921826	388952226	/nfs/dbraw/zinc/95/22/26/388952226.db2.gz	DFUIIIANYNVWEG-ZDUSSCGKSA-N	2	1	283.416	0.313	50	30		CCEAMP
C=CC[C@@]1(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)CCC[NH2+]1	ZINC000888095949	613409837	/nfs/dbraw/zinc/40/98/37/613409837.db2.gz	FYDCHVCLPYQLTF-ZBFHGGJFSA-N	2	1	295.427	0.600	50	30		CCEAMP
C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)Cc1ccccc1	ZINC000253418758	352534633	/nfs/dbraw/zinc/53/46/33/352534633.db2.gz	PGKDDNRFUAACMC-OAHLLOKOSA-N	2	1	290.411	0.806	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000066244976	276170631	/nfs/dbraw/zinc/17/06/31/276170631.db2.gz	FCHIMFOAKKOGHV-NEPJUHHUSA-N	2	1	254.378	0.554	50	30		CCEAMP
C=CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000670468191	545237077	/nfs/dbraw/zinc/23/70/77/545237077.db2.gz	ZDCPUHQIXMNBCV-MJBXVCDLSA-N	2	1	263.385	0.657	50	30		CCEAMP
C=CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1	ZINC000670468191	545237078	/nfs/dbraw/zinc/23/70/78/545237078.db2.gz	ZDCPUHQIXMNBCV-MJBXVCDLSA-N	2	1	263.385	0.657	50	30		CCEAMP
C=CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1	ZINC000670468191	545237079	/nfs/dbraw/zinc/23/70/79/545237079.db2.gz	ZDCPUHQIXMNBCV-MJBXVCDLSA-N	2	1	263.385	0.657	50	30		CCEAMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCCC#N)CC1	ZINC000078777038	349151933	/nfs/dbraw/zinc/15/19/33/349151933.db2.gz	WOUDIBJLGOHABJ-CYBMUJFWSA-N	2	1	296.415	0.041	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccn1	ZINC000252489399	352516408	/nfs/dbraw/zinc/51/64/08/352516408.db2.gz	JQBJFEVEQJATRU-ZDUSSCGKSA-N	2	1	261.373	0.970	50	30		CCEAMP
C[N@@H+](CCNC(=[NH2+])N1CCOCC1)C1CCCCC1	ZINC000252501473	352517177	/nfs/dbraw/zinc/51/71/77/352517177.db2.gz	UFNGMVWELWLRGN-UHFFFAOYSA-N	2	1	268.405	0.898	50	30		CCEAMP
C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000090004161	349420130	/nfs/dbraw/zinc/42/01/30/349420130.db2.gz	SMSVIRGTQGPZKI-ZIAGYGMSSA-N	2	1	288.395	0.813	50	30		CCEAMP
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000090004161	349420134	/nfs/dbraw/zinc/42/01/34/349420134.db2.gz	SMSVIRGTQGPZKI-ZIAGYGMSSA-N	2	1	288.395	0.813	50	30		CCEAMP
Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1	ZINC000225546707	352009066	/nfs/dbraw/zinc/00/90/66/352009066.db2.gz	RTZXCZDMGLEHJS-UHFFFAOYSA-N	2	1	291.399	0.517	50	30		CCEAMP
COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCSCC1	ZINC000252508865	389264448	/nfs/dbraw/zinc/26/44/48/389264448.db2.gz	XWCXVTQTODCRJE-LBPRGKRZSA-N	2	1	286.445	0.461	50	30		CCEAMP
CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NC2CC2)CC1	ZINC000066245633	348738631	/nfs/dbraw/zinc/73/86/31/348738631.db2.gz	GYISOPOJROFLGZ-LBPRGKRZSA-N	2	1	267.421	0.327	50	30		CCEAMP
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH+](C)C)CC1	ZINC000952869114	841574082	/nfs/dbraw/zinc/57/40/82/841574082.db2.gz	DCNYODNUIWNJEB-AWEZNQCLSA-N	2	1	295.427	0.552	50	30		CCEAMP
CCC#CC[N@H+]1CCN(c2ncnc3[nH]ccc32)C[C@@H](O)C1	ZINC000217903698	351951528	/nfs/dbraw/zinc/95/15/28/351951528.db2.gz	YQSFPHHUGURFEF-ZDUSSCGKSA-N	2	1	299.378	0.854	50	30		CCEAMP
CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1	ZINC000246118142	352349275	/nfs/dbraw/zinc/34/92/75/352349275.db2.gz	KOBMXUHBYHEMJU-NWDGAFQWSA-N	2	1	256.394	0.800	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccn1	ZINC000252489398	352516522	/nfs/dbraw/zinc/51/65/22/352516522.db2.gz	JQBJFEVEQJATRU-CYBMUJFWSA-N	2	1	261.373	0.970	50	30		CCEAMP
C#CCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000047970440	411653711	/nfs/dbraw/zinc/65/37/11/411653711.db2.gz	BCACHPMPHZCYPZ-UHFFFAOYSA-N	2	1	263.385	0.544	50	30		CCEAMP
CNC(NCc1ccccc1C[NH+]1CCOCC1)=[NH+]C	ZINC000058157867	348622021	/nfs/dbraw/zinc/62/20/21/348622021.db2.gz	QTRSAIADMBFDRR-UHFFFAOYSA-N	2	1	276.384	0.814	50	30		CCEAMP
OCC[NH+](CC#CC[N@H+](CCO)C1CCC1)C1CCC1	ZINC000342118245	389197075	/nfs/dbraw/zinc/19/70/75/389197075.db2.gz	ANERJQPORFEXGX-UHFFFAOYSA-N	2	1	280.412	0.683	50	30		CCEAMP
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000090004160	349420191	/nfs/dbraw/zinc/42/01/91/349420191.db2.gz	SMSVIRGTQGPZKI-UONOGXRCSA-N	2	1	288.395	0.813	50	30		CCEAMP
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000090004160	349420192	/nfs/dbraw/zinc/42/01/92/349420192.db2.gz	SMSVIRGTQGPZKI-UONOGXRCSA-N	2	1	288.395	0.813	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCCOC1CCCC1	ZINC000170908312	350873012	/nfs/dbraw/zinc/87/30/12/350873012.db2.gz	WQRXSFFGKPJAHD-UHFFFAOYSA-N	2	1	298.431	0.572	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCCC1)NCCC[NH+]1CCOCC1	ZINC000241139476	352304712	/nfs/dbraw/zinc/30/47/12/352304712.db2.gz	JRFCXCBZXCMBTI-UHFFFAOYSA-N	3	1	297.447	0.099	50	30		CCEAMP
C=CCNC(NC[C@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C	ZINC000097001171	649827263	/nfs/dbraw/zinc/82/72/63/649827263.db2.gz	XSQIKRSAJGREQR-ZDUSSCGKSA-N	2	1	268.405	0.694	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(NCCC(=O)N(C)C)=[NH+]C	ZINC000073667396	348958823	/nfs/dbraw/zinc/95/88/23/348958823.db2.gz	YBSROCFPQMQGQQ-GFCCVEGCSA-N	2	1	283.420	0.114	50	30		CCEAMP
C[NH+](CC#CC[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1	ZINC000240551627	131079638	/nfs/dbraw/zinc/07/96/38/131079638.db2.gz	GUYPDAQYHQFPHL-ZIAGYGMSSA-N	2	1	252.358	0.431	50	30		CCEAMP
C=CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1	ZINC000670462972	545236577	/nfs/dbraw/zinc/23/65/77/545236577.db2.gz	PBHADBYCZRGOII-ZDUSSCGKSA-N	2	1	281.400	0.210	50	30		CCEAMP
C=CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1	ZINC000670462972	545236578	/nfs/dbraw/zinc/23/65/78/545236578.db2.gz	PBHADBYCZRGOII-ZDUSSCGKSA-N	2	1	281.400	0.210	50	30		CCEAMP
C[NH+]=C(NCCCOC)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000078751941	349151981	/nfs/dbraw/zinc/15/19/81/349151981.db2.gz	GSGMDBRPGDTKQT-NSHDSACASA-N	2	1	256.394	0.671	50	30		CCEAMP
CC(C)C[N@H+]1CCO[C@H](C[NH+]=C(N(C)C)N(C)C)C1	ZINC000097212322	349634484	/nfs/dbraw/zinc/63/44/84/349634484.db2.gz	BKCBWVKXNFPHEF-CYBMUJFWSA-N	2	1	270.421	0.822	50	30		CCEAMP
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000230192307	352107048	/nfs/dbraw/zinc/10/70/48/352107048.db2.gz	SMSVIRGTQGPZKI-KBPBESRZSA-N	2	1	288.395	0.813	50	30		CCEAMP
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000230192307	352107050	/nfs/dbraw/zinc/10/70/50/352107050.db2.gz	SMSVIRGTQGPZKI-KBPBESRZSA-N	2	1	288.395	0.813	50	30		CCEAMP
C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C2CC2)CC1	ZINC000065443658	348716432	/nfs/dbraw/zinc/71/64/32/348716432.db2.gz	NDBQXDZXXFSSLF-UHFFFAOYSA-N	2	1	263.385	0.542	50	30		CCEAMP
[NH2+]=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCSCC1	ZINC000090064872	349424795	/nfs/dbraw/zinc/42/47/95/349424795.db2.gz	XPFQJYXEQXJPDH-QWHCGFSZSA-N	2	1	298.456	0.603	50	30		CCEAMP
[NH2+]=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCSCC1	ZINC000090064872	349424797	/nfs/dbraw/zinc/42/47/97/349424797.db2.gz	XPFQJYXEQXJPDH-QWHCGFSZSA-N	2	1	298.456	0.603	50	30		CCEAMP
C=CCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000069921829	388952801	/nfs/dbraw/zinc/95/28/01/388952801.db2.gz	DFUIIIANYNVWEG-CYBMUJFWSA-N	2	1	283.416	0.313	50	30		CCEAMP
CC[NH+]1CCN(CCCCNC(=[NH2+])NC2CC2)CC1	ZINC000069741135	260262463	/nfs/dbraw/zinc/26/24/63/260262463.db2.gz	PEAJOPDCJJCJPS-UHFFFAOYSA-N	2	1	267.421	0.471	50	30		CCEAMP
CC[NH+]1CCN(C[C@@H](C)CNC(NC)=[NH+]C)CC1	ZINC000253415439	352534743	/nfs/dbraw/zinc/53/47/43/352534743.db2.gz	CTBCQAPJQPPSOX-LBPRGKRZSA-N	2	1	255.410	0.055	50	30		CCEAMP
CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NC2CC2)CC1	ZINC000066245634	348738603	/nfs/dbraw/zinc/73/86/03/348738603.db2.gz	GYISOPOJROFLGZ-GFCCVEGCSA-N	2	1	267.421	0.327	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1	ZINC000252528118	279295912	/nfs/dbraw/zinc/29/59/12/279295912.db2.gz	FCHIMFOAKKOGHV-VXGBXAGGSA-N	2	1	254.378	0.554	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1O	ZINC000071847229	348911871	/nfs/dbraw/zinc/91/18/71/348911871.db2.gz	KPOHBAOXSLRBOS-UHFFFAOYSA-N	2	1	292.383	0.519	50	30		CCEAMP
C[NH+](CC#CC[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1	ZINC000240551625	131079508	/nfs/dbraw/zinc/07/95/08/131079508.db2.gz	GUYPDAQYHQFPHL-KBPBESRZSA-N	2	1	252.358	0.431	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1	ZINC000066244935	388944514	/nfs/dbraw/zinc/94/45/14/388944514.db2.gz	RUJULUQGGOPKLF-UHFFFAOYSA-N	2	1	276.384	0.813	50	30		CCEAMP
C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCOCC2)C1	ZINC000253419568	352534587	/nfs/dbraw/zinc/53/45/87/352534587.db2.gz	BKGXTILOVSMTPQ-LBPRGKRZSA-N	2	1	254.378	0.365	50	30		CCEAMP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1	ZINC000065591951	348722997	/nfs/dbraw/zinc/72/29/97/348722997.db2.gz	FNTNQSJRULLCGO-OAHLLOKOSA-N	2	1	277.412	0.932	50	30		CCEAMP
Cc1csc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1	ZINC000170909447	350873476	/nfs/dbraw/zinc/87/34/76/350873476.db2.gz	ZGMYNGGTACMOAB-UHFFFAOYSA-N	2	1	297.428	0.578	50	30		CCEAMP
[NH2+]=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCSCC1	ZINC000195546694	351918595	/nfs/dbraw/zinc/91/85/95/351918595.db2.gz	XPFQJYXEQXJPDH-CHWSQXEVSA-N	2	1	298.456	0.603	50	30		CCEAMP
[NH2+]=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCSCC1	ZINC000195546694	351918600	/nfs/dbraw/zinc/91/86/00/351918600.db2.gz	XPFQJYXEQXJPDH-CHWSQXEVSA-N	2	1	298.456	0.603	50	30		CCEAMP
C[NH+](CC#CC[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1	ZINC000240551626	131079556	/nfs/dbraw/zinc/07/95/56/131079556.db2.gz	GUYPDAQYHQFPHL-OKILXGFUSA-N	2	1	252.358	0.431	50	30		CCEAMP
C[NH+](CC#CC[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1	ZINC000240551626	131079557	/nfs/dbraw/zinc/07/95/57/131079557.db2.gz	GUYPDAQYHQFPHL-OKILXGFUSA-N	2	1	252.358	0.431	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(NCCC(=O)N(C)C)=[NH+]C	ZINC000073667399	348958628	/nfs/dbraw/zinc/95/86/28/348958628.db2.gz	YBSROCFPQMQGQQ-LBPRGKRZSA-N	2	1	283.420	0.114	50	30		CCEAMP
[NH2+]=C(NCC[NH2+]Cc1ccccc1)NC[C@H]1CCCO1	ZINC000058154474	327010229	/nfs/dbraw/zinc/01/02/29/327010229.db2.gz	QULKZDFRPQMRJS-CQSZACIVSA-N	2	1	276.384	0.860	50	30		CCEAMP
C[NH+](C)CC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1	ZINC000104153652	349710191	/nfs/dbraw/zinc/71/01/91/349710191.db2.gz	KQIHRNUIOPMUCO-UHFFFAOYSA-N	3	1	299.463	0.201	50	30		CCEAMP
C=CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000071871587	388958803	/nfs/dbraw/zinc/95/88/03/388958803.db2.gz	NSQNCWCMEAGXCM-KGLIPLIRSA-N	2	1	297.443	0.702	50	30		CCEAMP
CNC(NCc1cccc(NC(=O)C[NH+](C)C)c1)=[NH+]C	ZINC000058184886	348622477	/nfs/dbraw/zinc/62/24/77/348622477.db2.gz	RRMXQQJNVPYKTQ-UHFFFAOYSA-N	2	1	277.372	0.482	50	30		CCEAMP
COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1	ZINC000252508864	389264653	/nfs/dbraw/zinc/26/46/53/389264653.db2.gz	XWCXVTQTODCRJE-GFCCVEGCSA-N	2	1	286.445	0.461	50	30		CCEAMP
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000071889002	176290832	/nfs/dbraw/zinc/29/08/32/176290832.db2.gz	OKVURGIPOKCDSX-CQSZACIVSA-N	2	1	289.423	0.932	50	30		CCEAMP
CN(C)c1ccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)cc1	ZINC000000468850	649947062	/nfs/dbraw/zinc/94/70/62/649947062.db2.gz	ZZTJASZPIZZVII-UHFFFAOYSA-N	2	1	260.345	0.984	50	30		CCEAMP
C=CCNC(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C	ZINC000097001169	649827207	/nfs/dbraw/zinc/82/72/07/649827207.db2.gz	XSQIKRSAJGREQR-CYBMUJFWSA-N	2	1	268.405	0.694	50	30		CCEAMP
CNC(NCc1cccnc1N1CC[NH+](C)CC1)=[NH+]C	ZINC000072280361	388960756	/nfs/dbraw/zinc/96/07/56/388960756.db2.gz	BUVICQUHAZZUHV-UHFFFAOYSA-N	2	1	276.388	0.128	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccs1	ZINC000072272390	388960939	/nfs/dbraw/zinc/96/09/39/388960939.db2.gz	CTJPPYQVUNVGQQ-UHFFFAOYSA-N	2	1	296.440	0.917	50	30		CCEAMP
CC[C@H](C)NC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]C	ZINC000252474495	352515166	/nfs/dbraw/zinc/51/51/66/352515166.db2.gz	GKWNTTRKECYQEF-RWMBFGLXSA-N	2	1	268.405	0.813	50	30		CCEAMP
C=CC[C@@]1(C(=O)N2CC[NH+](C[C@@H](O)CC)CC2)CCC[NH2+]1	ZINC000888095948	613409880	/nfs/dbraw/zinc/40/98/80/613409880.db2.gz	FYDCHVCLPYQLTF-HOCLYGCPSA-N	2	1	295.427	0.600	50	30		CCEAMP
N#Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c[nH]1	ZINC000952967872	649613241	/nfs/dbraw/zinc/61/32/41/649613241.db2.gz	ONJNBJHIVRPOIE-ZDUSSCGKSA-N	2	1	289.383	0.563	50	30		CCEAMP
N#Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c[nH]1	ZINC000952967872	649613245	/nfs/dbraw/zinc/61/32/45/649613245.db2.gz	ONJNBJHIVRPOIE-ZDUSSCGKSA-N	2	1	289.383	0.563	50	30		CCEAMP
CC[N@@H+](CCCNC(=O)/C=N/O)CCC[NH+](C)C	ZINC000095115851	349590575	/nfs/dbraw/zinc/59/05/75/349590575.db2.gz	IVYMLDIDAUCALZ-SDNWHVSQSA-N	2	1	258.366	0.226	50	30		CCEAMP
CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000072270965	348918245	/nfs/dbraw/zinc/91/82/45/348918245.db2.gz	KOBMXUHBYHEMJU-NEPJUHHUSA-N	2	1	256.394	0.800	50	30		CCEAMP
Cc1[nH]c(C[N@H+]2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1C#N	ZINC000670455778	545236522	/nfs/dbraw/zinc/23/65/22/545236522.db2.gz	DOBLKKQOGIJTPQ-SWLSCSKDSA-N	2	1	276.384	0.939	50	30		CCEAMP
Cc1[nH]c(C[N@@H+]2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1C#N	ZINC000670455778	545236523	/nfs/dbraw/zinc/23/65/23/545236523.db2.gz	DOBLKKQOGIJTPQ-SWLSCSKDSA-N	2	1	276.384	0.939	50	30		CCEAMP
CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000072270966	348917728	/nfs/dbraw/zinc/91/77/28/348917728.db2.gz	KOBMXUHBYHEMJU-RYUDHWBXSA-N	2	1	256.394	0.800	50	30		CCEAMP
C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](CCO)CC1	ZINC000071871551	388958502	/nfs/dbraw/zinc/95/85/02/388958502.db2.gz	PXJUFECWGSAREC-CYBMUJFWSA-N	2	1	283.416	0.313	50	30		CCEAMP
C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000229548807	352092532	/nfs/dbraw/zinc/09/25/32/352092532.db2.gz	NSQNCWCMEAGXCM-ZIAGYGMSSA-N	2	1	297.443	0.702	50	30		CCEAMP
CC(C)C[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1	ZINC000097021590	185153354	/nfs/dbraw/zinc/15/33/54/185153354.db2.gz	PPZJWDSABNFENM-ZDUSSCGKSA-N	2	1	268.405	0.754	50	30		CCEAMP
C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)Cc1ccccc1	ZINC000253418755	352535049	/nfs/dbraw/zinc/53/50/49/352535049.db2.gz	PGKDDNRFUAACMC-HNNXBMFYSA-N	2	1	290.411	0.806	50	30		CCEAMP
C=CCNC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]CCOC	ZINC000071804051	348911763	/nfs/dbraw/zinc/91/17/63/348911763.db2.gz	FIYQZHPBVPNMRQ-ZIAGYGMSSA-N	2	1	296.415	0.217	50	30		CCEAMP
CC(C)=CCNC(=[NH2+])NCCC[NH+]1CCOCC1	ZINC000191149323	351748402	/nfs/dbraw/zinc/74/84/02/351748402.db2.gz	BKPHOGRSLNHJSL-UHFFFAOYSA-N	2	1	254.378	0.579	50	30		CCEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccsc1	ZINC000170903891	350872254	/nfs/dbraw/zinc/87/22/54/350872254.db2.gz	FXZQRZYOBAPPEI-UHFFFAOYSA-N	2	1	296.440	0.917	50	30		CCEAMP
N#Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c[nH]1	ZINC000952967860	649613021	/nfs/dbraw/zinc/61/30/21/649613021.db2.gz	ONJNBJHIVRPOIE-CYBMUJFWSA-N	2	1	289.383	0.563	50	30		CCEAMP
N#Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c[nH]1	ZINC000952967860	649613023	/nfs/dbraw/zinc/61/30/23/649613023.db2.gz	ONJNBJHIVRPOIE-CYBMUJFWSA-N	2	1	289.383	0.563	50	30		CCEAMP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1	ZINC000066244977	348738055	/nfs/dbraw/zinc/73/80/55/348738055.db2.gz	FCHIMFOAKKOGHV-RYUDHWBXSA-N	2	1	254.378	0.554	50	30		CCEAMP
CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1	ZINC000246118145	352349227	/nfs/dbraw/zinc/34/92/27/352349227.db2.gz	KOBMXUHBYHEMJU-VXGBXAGGSA-N	2	1	256.394	0.800	50	30		CCEAMP
C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCOCC2)C1	ZINC000253419566	352535085	/nfs/dbraw/zinc/53/50/85/352535085.db2.gz	BKGXTILOVSMTPQ-GFCCVEGCSA-N	2	1	254.378	0.365	50	30		CCEAMP
C=CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000071871586	388959079	/nfs/dbraw/zinc/95/90/79/388959079.db2.gz	NSQNCWCMEAGXCM-KBPBESRZSA-N	2	1	297.443	0.702	50	30		CCEAMP
C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](CCO)CC1	ZINC000071871550	388959152	/nfs/dbraw/zinc/95/91/52/388959152.db2.gz	PXJUFECWGSAREC-ZDUSSCGKSA-N	2	1	283.416	0.313	50	30		CCEAMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1	ZINC000252540390	389265366	/nfs/dbraw/zinc/26/53/66/389265366.db2.gz	PIPJCSQNGZNDLC-CYBMUJFWSA-N	2	1	261.373	0.970	50	30		CCEAMP