smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCn1ccnc1	ZINC000159800099	378730593	/nfs/dbraw/zinc/73/05/93/378730593.db2.gz	QULKECMLJAFZOR-MRXNPFEDSA-N	2	0	285.391	2.735	10	70		CFIERP
CC[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000160894822	281291085	/nfs/dbraw/zinc/29/10/85/281291085.db2.gz	DUHMTXYTFCHRNE-SJORKVTESA-N	2	0	282.472	2.735	10	70		CFIERP
CCCC[N@H+](C)CC1CC[NH+](C[C@](C)(O)CC)CC1	ZINC000160630749	528338028	/nfs/dbraw/zinc/33/80/28/528338028.db2.gz	ABJLLWLPDAINJI-MRXNPFEDSA-N	2	0	270.461	2.591	10	70		CFIERP
Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161424263	527440932	/nfs/dbraw/zinc/44/09/32/527440932.db2.gz	VZJWFYPEWVCKFN-KRWDZBQOSA-N	2	0	290.455	2.532	10	70		CFIERP
CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000160751610	378796671	/nfs/dbraw/zinc/79/66/71/378796671.db2.gz	CWIDHPROISBXHH-IAGOWNOFSA-N	2	0	282.472	2.591	10	70		CFIERP
Cc1nccn1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161424380	527449626	/nfs/dbraw/zinc/44/96/26/527449626.db2.gz	VZJWFYPEWVCKFN-QGZVFWFLSA-N	2	0	290.455	2.532	10	70		CFIERP
CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000160894964	394366864	/nfs/dbraw/zinc/36/68/64/394366864.db2.gz	DUHMTXYTFCHRNE-IAGOWNOFSA-N	2	0	282.472	2.735	10	70		CFIERP
CCCC[N@H+](C)CC1CC[NH+](C[C@@](C)(O)CC)CC1	ZINC000160630877	528339548	/nfs/dbraw/zinc/33/95/48/528339548.db2.gz	ABJLLWLPDAINJI-INIZCTEOSA-N	2	0	270.461	2.591	10	70		CFIERP
CC[C@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000161332459	378838526	/nfs/dbraw/zinc/83/85/26/378838526.db2.gz	GUGJOGGXANXRIW-ROUUACIJSA-N	2	0	290.451	2.601	10	70		CFIERP
CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000161332609	378838883	/nfs/dbraw/zinc/83/88/83/378838883.db2.gz	GUGJOGGXANXRIW-ZWKOTPCHSA-N	2	0	290.451	2.601	10	70		CFIERP
CC[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1	ZINC000161112368	281291138	/nfs/dbraw/zinc/29/11/38/281291138.db2.gz	VUMNEGCRAFZASS-ULQDDVLXSA-N	2	0	282.472	2.734	10	70		CFIERP
CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCn1ccnc1	ZINC000159799967	378730769	/nfs/dbraw/zinc/73/07/69/378730769.db2.gz	QULKECMLJAFZOR-INIZCTEOSA-N	2	0	285.391	2.735	10	70		CFIERP
CC[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000160751509	523495252	/nfs/dbraw/zinc/49/52/52/523495252.db2.gz	CWIDHPROISBXHH-SJORKVTESA-N	2	0	282.472	2.591	10	70		CFIERP