smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000001654710	166191228	/nfs/dbraw/zinc/19/12/28/166191228.db2.gz	DMLDMQLYKXWRIU-ZETCQYMHSA-N	0	1	212.253	-1.074	1	30		BAEFMN
C#CCN[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005827996	166192948	/nfs/dbraw/zinc/19/29/48/166192948.db2.gz	DMLDMQLYKXWRIU-SSDOTTSWSA-N	0	1	212.253	-1.284	1	30		BAEFMN
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])[P@H](=O)[O-]	ZINC000025965831	181182616	/nfs/dbraw/zinc/18/26/16/181182616.db2.gz	GWSFKOTWSDKFRJ-SCSAIBSYSA-N	0	1	239.172	-1.386	1	30		BAEFMN
NC(=N[N+](=O)[O-])NCCC[C@@H]([NH3+])[P@H](=O)[O-]	ZINC000025965839	181182699	/nfs/dbraw/zinc/18/26/99/181182699.db2.gz	GWSFKOTWSDKFRJ-BYPYZUCNSA-N	0	1	239.172	-1.386	1	30		BAEFMN
NC(=O)CC[C@@H](CS)CNC(=O)[C@@H](N)CO	ZINC000027100606	181226156	/nfs/dbraw/zinc/22/61/56/181226156.db2.gz	XQRHITRCZTWJTJ-RQJHMYQMSA-N	0	1	249.336	-1.766	1	30		BAEFMN
NC(=O)CC[C@@H](CS)CNC(=O)[C@H](N)CO	ZINC000027100608	181226231	/nfs/dbraw/zinc/22/62/31/181226231.db2.gz	XQRHITRCZTWJTJ-RNFRBKRXSA-N	0	1	249.336	-1.766	1	30		BAEFMN
N=C1Nc2ncn(CC#CCO)c2[C@H](N)N1	ZINC000027433674	181340392	/nfs/dbraw/zinc/34/03/92/181340392.db2.gz	WPRBMPPUZCNCAX-SSDOTTSWSA-N	0	1	220.236	-1.615	1	30		BAEFMN
N=C1Nc2ncn(CC#CCO)c2[C@@H](N)N1	ZINC000027433678	181340092	/nfs/dbraw/zinc/34/00/92/181340092.db2.gz	WPRBMPPUZCNCAX-ZETCQYMHSA-N	0	1	220.236	-1.615	1	30		BAEFMN
NCC(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	ZINC000073225013	181355987	/nfs/dbraw/zinc/35/59/87/181355987.db2.gz	NGXIKQAPRWGGTP-BYPYZUCNSA-N	0	1	244.207	-3.306	1	30		BAEFMN
NC(=O)C[C@@H]([NH3+])C(=O)NC(CS)C(=O)[O-]	ZINC000100386020	574417427	/nfs/dbraw/zinc/41/74/27/574417427.db2.gz	GRNDSWVBJQHSBF-GSVOUGTGSA-N	0	1	235.265	-1.480	1	30	endogenous,in-vitro	BAEFMN
NC(=O)C[C@H]([NH3+])C(=O)NC(CS)C(=O)[O-]	ZINC000100386023	574417435	/nfs/dbraw/zinc/41/74/35/574417435.db2.gz	GRNDSWVBJQHSBF-VKHMYHEASA-N	0	1	235.265	-1.480	1	30	endogenous,in-vitro	BAEFMN
CC(=O)COc1c(O)oc([C@@H](O)CO)c1O	ZINC000101471113	188322580	/nfs/dbraw/zinc/32/25/80/188322580.db2.gz	VXKXIIGAQNDFQT-CAHLUQPWSA-N	0	1	232.188	-1.360	1	30		BAEFMN
NC1=NC(=O)C[C@H]([NH3+])N1OS(=O)(=O)[O-]	ZINC000205480010	348530767	/nfs/dbraw/zinc/53/07/67/348530767.db2.gz	ULFHDTFYISXAQN-UWTATZPHSA-N	0	1	224.198	-1.965	2	30		BAEFMN