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[NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000001654710	166191226	/nfs/dbraw/zinc/19/12/26/166191226.db2.gz	DMLDMQLYKXWRIU-ZETCQYMHSA-N	1	0	212.253	-1.074	1	30		BAEFRO
C#CC[NH2+][C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005827996	166192946	/nfs/dbraw/zinc/19/29/46/166192946.db2.gz	DMLDMQLYKXWRIU-SSDOTTSWSA-N	1	0	212.253	-1.284	1	30		BAEFRO
NC(=[NH2+])NC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000006293038	560205503	/nfs/dbraw/zinc/20/55/03/560205503.db2.gz	LXQDZCCPYLOHOJ-GQXJQEMDSA-N	1	0	221.213	-4.554	1	30	in-vitro	BAEFRO
NC(=[NH2+])NC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O	ZINC000006293039	560205497	/nfs/dbraw/zinc/20/54/97/560205497.db2.gz	LXQDZCCPYLOHOJ-GCVPSNMTSA-N	1	0	221.213	-4.554	1	30	in-vitro	BAEFRO
COCCNC(=[NH2+])NCCC[C@H](N)C(=O)OC	ZINC000013647971	174084313	/nfs/dbraw/zinc/08/43/13/174084313.db2.gz	HBEZFJUPDYWRKL-QMMMGPOBSA-N	1	0	246.311	-1.182	1	30		BAEFRO
N=C(NO)c1cccc(C=NNC(N)=[NH2+])n1	ZINC000013861133	181200208	/nfs/dbraw/zinc/20/02/08/181200208.db2.gz	CXJJSSUOTUBMDL-UUILKARUSA-N	1	0	221.224	-1.007	1	30		BAEFRO
N=NC(N)NN=Cc1cccc(C(N)=[NH2+])n1	ZINC000013861134	181199414	/nfs/dbraw/zinc/19/94/14/181199414.db2.gz	LCIMLTPYCJMYNE-YIXHJXPBSA-N	1	0	220.240	-1.313	1	30		BAEFRO
N=C(NN)c1cccc(C=NNC(N)=[NH2+])n1	ZINC000013861135	181200221	/nfs/dbraw/zinc/20/02/21/181200221.db2.gz	DFMYPXFRJYKZTA-YIXHJXPBSA-N	1	0	220.240	-1.522	1	30		BAEFRO
NC(=O)CC[C@@H](CS)CNC(=O)[C@@H]([NH3+])CO	ZINC000027100606	181226155	/nfs/dbraw/zinc/22/61/55/181226155.db2.gz	XQRHITRCZTWJTJ-RQJHMYQMSA-N	1	0	249.336	-1.766	1	30		BAEFRO
NC(=O)CC[C@@H](CS)CNC(=O)[C@H]([NH3+])CO	ZINC000027100608	181226229	/nfs/dbraw/zinc/22/62/29/181226229.db2.gz	XQRHITRCZTWJTJ-RNFRBKRXSA-N	1	0	249.336	-1.766	1	30		BAEFRO
N[C@@H]1NC(=[NH2+])Nc2ncn(CC#CCO)c21	ZINC000027433674	181340389	/nfs/dbraw/zinc/34/03/89/181340389.db2.gz	WPRBMPPUZCNCAX-SSDOTTSWSA-N	1	0	220.236	-1.615	1	30		BAEFRO
N[C@H]1NC(=[NH2+])Nc2ncn(CC#CCO)c21	ZINC000027433678	181340087	/nfs/dbraw/zinc/34/00/87/181340087.db2.gz	WPRBMPPUZCNCAX-ZETCQYMHSA-N	1	0	220.236	-1.615	1	30		BAEFRO
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000028461872	181378160	/nfs/dbraw/zinc/37/81/60/181378160.db2.gz	FCKTZCOVVQVDND-YUMQZZPRSA-N	1	0	245.279	-1.399	1	30		BAEFRO
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(N)=O)C[NH2+]1	ZINC000028816236	181058933	/nfs/dbraw/zinc/05/89/33/181058933.db2.gz	JEJIFJCHFQDJJT-CIUDSAMLSA-N	1	0	236.275	-1.036	1	30		BAEFRO
[NH3+][C@@H](CS)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027937	574415189	/nfs/dbraw/zinc/41/51/89/574415189.db2.gz	ZPLTXTROMWYDIX-BQBZGAKWSA-N	1	0	249.336	-1.058	1	30	endogenous,in-vitro	BAEFRO
[NH3+][C@@H](CS)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027938	574415172	/nfs/dbraw/zinc/41/51/72/574415172.db2.gz	ZPLTXTROMWYDIX-RQJHMYQMSA-N	1	0	249.336	-1.058	1	30	endogenous,in-vitro	BAEFRO
[NH3+][C@H](CS)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028009	574415262	/nfs/dbraw/zinc/41/52/62/574415262.db2.gz	ZPLTXTROMWYDIX-NKWVEPMBSA-N	1	0	249.336	-1.058	1	30	endogenous,in-vitro	BAEFRO
[NH3+][C@H](CCCCNC(=O)[C@H]([NH3+])CS)C(=O)[O-]	ZINC000050028011	574415247	/nfs/dbraw/zinc/41/52/47/574415247.db2.gz	ZPLTXTROMWYDIX-RNFRBKRXSA-N	1	0	249.336	-1.058	1	30	endogenous,in-vitro	BAEFRO
[NH3+]CCCO/N=C/c1cc(=O)[nH]c(=O)[nH]1	ZINC000058468719	181382930	/nfs/dbraw/zinc/38/29/30/181382930.db2.gz	SFSUPOJXVWUHPD-BJMVGYQFSA-N	1	0	212.209	-1.238	1	30		BAEFRO
NC(=[NH2+])NCCCC(NC(=O)C[NH3+])C(=O)[O-]	ZINC000069486902	574415899	/nfs/dbraw/zinc/41/58/99/574415899.db2.gz	CZKDZAKPJOOCQE-UHFFFAOYSA-N	1	0	231.256	-1.600	1	30	endogenous,in-vitro	BAEFRO
[NH3+]CC(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	ZINC000073225013	181355983	/nfs/dbraw/zinc/35/59/83/181355983.db2.gz	NGXIKQAPRWGGTP-BYPYZUCNSA-N	1	0	244.207	-3.306	1	30		BAEFRO
Cn1cc(O)c2c1=CC(=O)C(=NNC(N)=[NH2+])C=2	ZINC000084756668	180662483	/nfs/dbraw/zinc/66/24/83/180662483.db2.gz	CRTBPPNVAZCHAS-MLPAPPSSSA-N	1	0	233.231	-2.287	1	30	in-man	BAEFRO
C[C@@H]([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385750	574417258	/nfs/dbraw/zinc/41/72/58/574417258.db2.gz	JYFQKKIRSSTOGO-RXMQYKEDSA-N	1	0	245.283	-1.212	1	30	endogenous,in-vitro	BAEFRO
C[C@H]([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385754	574417266	/nfs/dbraw/zinc/41/72/66/574417266.db2.gz	JYFQKKIRSSTOGO-YFKPBYRVSA-N	1	0	245.283	-1.212	1	30	endogenous,in-vitro	BAEFRO
CC(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385874	574417301	/nfs/dbraw/zinc/41/73/01/574417301.db2.gz	KYJLCTQIDXPKAK-ZCFIWIBFSA-N	1	0	245.283	-1.212	1	30	endogenous,in-vitro	BAEFRO
CC(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385876	574417311	/nfs/dbraw/zinc/41/73/11/574417311.db2.gz	KYJLCTQIDXPKAK-LURJTMIESA-N	1	0	245.283	-1.212	1	30	endogenous,in-vitro	BAEFRO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCC(=O)[O-]	ZINC000100385917	574417365	/nfs/dbraw/zinc/41/73/65/574417365.db2.gz	SCSZFXKNLTZCTN-RXMQYKEDSA-N	1	0	231.256	-1.602	1	30	endogenous,in-vitro	BAEFRO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCC(=O)[O-]	ZINC000100385920	574417327	/nfs/dbraw/zinc/41/73/27/574417327.db2.gz	SCSZFXKNLTZCTN-YFKPBYRVSA-N	1	0	231.256	-1.602	1	30	endogenous,in-vitro	BAEFRO
C[N+](C)(C)CC(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000169344005	717155909	/nfs/dbraw/zinc/15/59/09/717155909.db2.gz	LDHVHIWNKSYIDB-UHFFFAOYSA-O	1	0	212.229	-1.048	1	30		BAEFRO
CN[C@H]1[C@H]2C[N+]3(C(=O)C=O)CC[C@H](O2)[C@H]13	ZINC000238778676	717163000	/nfs/dbraw/zinc/16/30/00/717163000.db2.gz	ZUTUDCUWFZDHEV-HGWJYJPYSA-N	1	0	211.241	-1.330	1	30		BAEFRO