smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H](C)[C@@H](C)[N@H+](CC1CC1)C(C)C	216731768	571933186	/nfs/dbraw/zinc/93/31/86/571933186.db2.gz	VSAGHMIGUNOSSY-WDEREUQCSA-N	2	2	198.354	2.103	10	70		AEIELP
C[NH2+][C@@H](C)[C@@H](C)[N@@H+](CC1CC1)C(C)C	216731768	571933192	/nfs/dbraw/zinc/93/31/92/571933192.db2.gz	VSAGHMIGUNOSSY-WDEREUQCSA-N	2	2	198.354	2.103	10	70		AEIELP
C[NH2+][C@@H](C)[C@H](C)[N@H+](CC1CC1)C(C)C	216731808	571935206	/nfs/dbraw/zinc/93/52/06/571935206.db2.gz	VSAGHMIGUNOSSY-QWRGUYRKSA-N	2	2	198.354	2.103	10	70		AEIELP
C[NH2+][C@@H](C)[C@H](C)[N@@H+](CC1CC1)C(C)C	216731808	571935211	/nfs/dbraw/zinc/93/52/11/571935211.db2.gz	VSAGHMIGUNOSSY-QWRGUYRKSA-N	2	2	198.354	2.103	10	70		AEIELP
CCC[NH+](CCC)[C@@H]1C[NH2+]C[C@@H]1CC	160941926	571943910	/nfs/dbraw/zinc/94/39/10/571943910.db2.gz	VOIFRSWVHJINRQ-NWDGAFQWSA-N	2	2	198.354	2.106	10	70		AEIELP
CCC[C@H](C[NH2+]C)[N@H+](CC)CCC	216713161	571954181	/nfs/dbraw/zinc/95/41/81/571954181.db2.gz	SOEZHXBMXYWDPY-LLVKDONJSA-N	2	2	186.343	2.106	10	70		AEIELP
CCC[C@H](C[NH2+]C)[N@@H+](CC)CCC	216713161	571954185	/nfs/dbraw/zinc/95/41/85/571954185.db2.gz	SOEZHXBMXYWDPY-LLVKDONJSA-N	2	2	186.343	2.106	10	70		AEIELP
C[NH2+][C@@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C	216736789	571954779	/nfs/dbraw/zinc/95/47/79/571954779.db2.gz	FQMUUGAPUXGUQJ-SDDRHHMPSA-N	2	2	198.354	2.105	10	70		AEIELP
C[NH2+][C@@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C	216736789	571954781	/nfs/dbraw/zinc/95/47/81/571954781.db2.gz	FQMUUGAPUXGUQJ-SDDRHHMPSA-N	2	2	198.354	2.105	10	70		AEIELP
C[NH2+]C[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H](C)C1	216750154	572048085	/nfs/dbraw/zinc/04/80/85/572048085.db2.gz	AXLMSBLNTZDBRP-IJLUTSLNSA-N	2	2	198.354	2.105	10	70		AEIELP
C[NH2+]C[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1	216750154	572048088	/nfs/dbraw/zinc/04/80/88/572048088.db2.gz	AXLMSBLNTZDBRP-IJLUTSLNSA-N	2	2	198.354	2.105	10	70		AEIELP