smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1	ZINC000550856818	334230512	/nfs/dbraw/zinc/23/05/12/334230512.db2.gz	YFMJFGDNWIHHSV-AEFFLSMTSA-N	1	3	292.511	4.221	20	30		CIEDHO
C=CCC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1	ZINC000550856821	334230528	/nfs/dbraw/zinc/23/05/28/334230528.db2.gz	YFMJFGDNWIHHSV-WMZOPIPTSA-N	1	3	292.511	4.221	20	30		CIEDHO
C=CCC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1	ZINC000550856819	334230544	/nfs/dbraw/zinc/23/05/44/334230544.db2.gz	YFMJFGDNWIHHSV-FUHWJXTLSA-N	1	3	292.511	4.221	20	30		CIEDHO
C=CCCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1	ZINC000513481781	333022256	/nfs/dbraw/zinc/02/22/56/333022256.db2.gz	CPDQTSJBNICCDV-MRXNPFEDSA-N	1	3	278.484	4.118	20	30		CIEDHO
C=CCCCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1	ZINC000557384957	327003914	/nfs/dbraw/zinc/00/39/14/327003914.db2.gz	PXCXWWCPXWYRBP-INIZCTEOSA-N	1	3	278.484	4.118	20	30		CIEDHO
C=CCC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1	ZINC000572859321	334885438	/nfs/dbraw/zinc/88/54/38/334885438.db2.gz	AVNGRKSBYPQQDP-AEFFLSMTSA-N	1	3	292.511	4.221	20	30		CIEDHO
C=CCC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000550856820	334230434	/nfs/dbraw/zinc/23/04/34/334230434.db2.gz	YFMJFGDNWIHHSV-SJLPKXTDSA-N	1	3	292.511	4.221	20	30		CIEDHO
C=CCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1	ZINC000121511797	330402340	/nfs/dbraw/zinc/40/23/40/330402340.db2.gz	RFTHQTDNBMOMBX-LJQANCHMSA-N	1	3	290.495	4.118	20	30		CIEDHO
C=CCC[C@H](CCC)[NH2+]C1CC(C)(C)NC(C)(C)C1	ZINC000461887825	331315147	/nfs/dbraw/zinc/31/51/47/331315147.db2.gz	ZZNMPJRKGPRACX-AWEZNQCLSA-N	1	3	266.473	4.020	20	30		CIEDHO
C=CCCCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1	ZINC000557384958	327004015	/nfs/dbraw/zinc/00/40/15/327004015.db2.gz	PXCXWWCPXWYRBP-MRXNPFEDSA-N	1	3	278.484	4.118	20	30		CIEDHO
C=CCC[C@@H](CCC)[NH2+]C1CC(C)(C)NC(C)(C)C1	ZINC000461887826	331315090	/nfs/dbraw/zinc/31/50/90/331315090.db2.gz	ZZNMPJRKGPRACX-CQSZACIVSA-N	1	3	266.473	4.020	20	30		CIEDHO
C=CCCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1	ZINC000513481780	333022225	/nfs/dbraw/zinc/02/22/25/333022225.db2.gz	CPDQTSJBNICCDV-INIZCTEOSA-N	1	3	278.484	4.118	20	30		CIEDHO