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[NH+]1CCC([NH3+])CC1	37118226	166019779	/nfs/dbraw/zinc/01/97/79/166019779.db2.gz	RMHJYIMLQALGFS-UHFFFAOYSA-N	2	1	138.214	0.043	50	30		ACEAMP
C=CCC[C@H]([NH3+])C[NH3+]	34762572	166169902	/nfs/dbraw/zinc/16/99/02/166169902.db2.gz	RGCMVVXOZMQXJQ-LURJTMIESA-N	2	1	114.192	0.239	50	30	in-vitro	ACEAMP
C=CCC[C@@H]([NH3+])C[NH3+]	34762576	166169994	/nfs/dbraw/zinc/16/99/94/166169994.db2.gz	RGCMVVXOZMQXJQ-ZCFIWIBFSA-N	2	1	114.192	0.239	50	30	in-vitro	ACEAMP
C=CC[N@H+]1CCC[C@@H]1CN	19371701	166175796	/nfs/dbraw/zinc/17/57/96/166175796.db2.gz	HTGKTSVPJJNEMQ-MRVPVSSYSA-N	2	1	140.230	0.596	50	30		ACEAMP
C=CC[N@@H+]1CCC[C@@H]1CN	19371701	166175797	/nfs/dbraw/zinc/17/57/97/166175797.db2.gz	HTGKTSVPJJNEMQ-MRVPVSSYSA-N	2	1	140.230	0.596	50	30		ACEAMP
C=CC[N@H+]1CCC[C@@H]1C[NH3+]	19371701	166175798	/nfs/dbraw/zinc/17/57/98/166175798.db2.gz	HTGKTSVPJJNEMQ-MRVPVSSYSA-N	2	1	140.230	0.596	50	30		ACEAMP
C=CC[N@@H+]1CCC[C@@H]1C[NH3+]	19371701	166175800	/nfs/dbraw/zinc/17/58/00/166175800.db2.gz	HTGKTSVPJJNEMQ-MRVPVSSYSA-N	2	1	140.230	0.596	50	30		ACEAMP
C=CC[N@@H+]1CCC[NH2+]CC1	19801809	166175984	/nfs/dbraw/zinc/17/59/84/166175984.db2.gz	CXDJAFGJFWDOHN-UHFFFAOYSA-N	2	1	140.230	0.468	50	30	in-vitro	ACEAMP
C=CC[N@H+]1CCC[NH2+]CC1	19801809	166175985	/nfs/dbraw/zinc/17/59/85/166175985.db2.gz	CXDJAFGJFWDOHN-UHFFFAOYSA-N	2	1	140.230	0.468	50	30	in-vitro	ACEAMP
C=CC[N@@H+]1CC[C@@H](C[NH3+])C1	40543302	166179133	/nfs/dbraw/zinc/17/91/33/166179133.db2.gz	SQSLLTYAXASINB-QMMMGPOBSA-N	2	1	140.230	0.453	50	30	in-vitro	ACEAMP
C=CC[N@H+]1CCC[C@H]1C[NH3+]	22590734	166180168	/nfs/dbraw/zinc/18/01/68/166180168.db2.gz	HTGKTSVPJJNEMQ-QMMMGPOBSA-N	2	1	140.230	0.596	50	30	in-vitro	ACEAMP
C=CC[N@@H+]1CCC[C@H]1C[NH3+]	22590734	166180173	/nfs/dbraw/zinc/18/01/73/166180173.db2.gz	HTGKTSVPJJNEMQ-QMMMGPOBSA-N	2	1	140.230	0.596	50	30	in-vitro	ACEAMP
C=CC[N@@H+]1CC[C@H](C[NH3+])C1	40543300	166180476	/nfs/dbraw/zinc/18/04/76/166180476.db2.gz	SQSLLTYAXASINB-MRVPVSSYSA-N	2	1	140.230	0.453	50	30	in-vitro	ACEAMP
C=CC[NH2+]C1CC[NH+](C)CC1	8375711	166186282	/nfs/dbraw/zinc/18/62/82/166186282.db2.gz	LRFVAKYIFWLXLN-UHFFFAOYSA-N	2	1	154.257	0.856	50	30		ACEAMP
C#CCC[N@@H+]1CCC[NH2+]CC1	19476253	171034080	/nfs/dbraw/zinc/03/40/80/171034080.db2.gz	PTNJDTCOUAGXJM-UHFFFAOYSA-N	2	1	152.241	0.305	50	30		ACEAMP
C#CCC[N@H+]1CCC[NH2+]CC1	19476253	171034081	/nfs/dbraw/zinc/03/40/81/171034081.db2.gz	PTNJDTCOUAGXJM-UHFFFAOYSA-N	2	1	152.241	0.305	50	30		ACEAMP