smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CN(C)C)N[C@@H]1CCC[NH2+]CC1	160697012	572043029	/nfs/dbraw/zinc/04/30/29/572043029.db2.gz	PLUBXUICCQPYOJ-WDEREUQCSA-N	1	3	199.342	0.668	10	70		ACIEHO
CN(C)CCOCC[C@H]1CC[NH2+]C1	159495070	573672368	/nfs/dbraw/zinc/67/23/68/573672368.db2.gz	VSQCYOAFFXOOTD-SNVBAGLBSA-N	1	3	186.299	0.564	10	70		ACIEHO
CN(C)CCOCC[C@@H]1CC[NH2+]C1	159494934	573673630	/nfs/dbraw/zinc/67/36/30/573673630.db2.gz	VSQCYOAFFXOOTD-JTQLQIEISA-N	1	3	186.299	0.564	10	70		ACIEHO
CC[C@@H](N)[C@H](CC)C[NH2+]C	217532313	573928835	/nfs/dbraw/zinc/92/88/35/573928835.db2.gz	CELMFYUKUUMNAU-HTQZYQBOSA-N	1	3	144.262	0.969	10	70		ACIEHO
CC[C@@H]([NH3+])[C@H](CC)CNC	217532313	573928839	/nfs/dbraw/zinc/92/88/39/573928839.db2.gz	CELMFYUKUUMNAU-HTQZYQBOSA-N	1	3	144.262	0.969	10	70		ACIEHO
C[NH2+]CCCN1CC[C@H](CCO)C1	159765548	486974625	/nfs/dbraw/zinc/97/46/25/486974625.db2.gz	CQKRCPUBAHWDEY-SNVBAGLBSA-N	1	3	186.299	0.300	10	70		ACIEHO
CNCCC[N@@H+]1CC[C@H](CCO)C1	159765548	486974634	/nfs/dbraw/zinc/97/46/34/486974634.db2.gz	CQKRCPUBAHWDEY-SNVBAGLBSA-N	1	3	186.299	0.300	10	70		ACIEHO
CNCCC[N@H+]1CC[C@H](CCO)C1	159765548	486974641	/nfs/dbraw/zinc/97/46/41/486974641.db2.gz	CQKRCPUBAHWDEY-SNVBAGLBSA-N	1	3	186.299	0.300	10	70		ACIEHO
C[NH2+]CCCN1CC[C@@H](CCO)C1	159765689	486975194	/nfs/dbraw/zinc/97/51/94/486975194.db2.gz	CQKRCPUBAHWDEY-JTQLQIEISA-N	1	3	186.299	0.300	10	70		ACIEHO
CNCCC[N@@H+]1CC[C@@H](CCO)C1	159765689	486975199	/nfs/dbraw/zinc/97/51/99/486975199.db2.gz	CQKRCPUBAHWDEY-JTQLQIEISA-N	1	3	186.299	0.300	10	70		ACIEHO
CNCCC[N@H+]1CC[C@@H](CCO)C1	159765689	486975202	/nfs/dbraw/zinc/97/52/02/486975202.db2.gz	CQKRCPUBAHWDEY-JTQLQIEISA-N	1	3	186.299	0.300	10	70		ACIEHO
C[C@H](CN[C@@H]1CC[NH2+]C1)N(C)C1CC1	217625033	409513338	/nfs/dbraw/zinc/51/33/38/409513338.db2.gz	QSGKBCNVXKMOFT-NXEZZACHSA-N	1	3	197.326	0.421	10	70		ACIEHO
CCN(CCN[C@H]1CC[NH2+]C1)C1CC1	217517317	409513400	/nfs/dbraw/zinc/51/34/00/409513400.db2.gz	GEYYWVLMRIXPBW-JTQLQIEISA-N	1	3	197.326	0.422	10	70		ACIEHO
C[C@H]1CN(C[C@H](C)C(N)=[NH2+])CCCO1	217578549	344403496	/nfs/dbraw/zinc/40/34/96/344403496.db2.gz	AQTFSGLUWZLPHG-IUCAKERBSA-N	1	3	199.298	0.669	10	70		ACIEHO
C[C@@H](CN[C@@H]1CC[NH2+]C1)N(C)C1CC1	217624958	409513174	/nfs/dbraw/zinc/51/31/74/409513174.db2.gz	QSGKBCNVXKMOFT-VHSXEESVSA-N	1	3	197.326	0.421	10	70		ACIEHO
CCN(CCN[C@@H]1CC[NH2+]C1)C1CC1	217517229	409513192	/nfs/dbraw/zinc/51/31/92/409513192.db2.gz	GEYYWVLMRIXPBW-SNVBAGLBSA-N	1	3	197.326	0.422	10	70		ACIEHO
C[C@@H](CN[C@H]1CC[NH2+]C1)N(C)C1CC1	217625122	409513248	/nfs/dbraw/zinc/51/32/48/409513248.db2.gz	QSGKBCNVXKMOFT-UWVGGRQHSA-N	1	3	197.326	0.421	10	70		ACIEHO
C[C@H](CN[C@H]1CC[NH2+]C1)N(C)C1CC1	217625197	409513301	/nfs/dbraw/zinc/51/33/01/409513301.db2.gz	QSGKBCNVXKMOFT-ZJUUUORDSA-N	1	3	197.326	0.421	10	70		ACIEHO
CNC1=[NH+]C/C(=C/CN(C)C)S1	216789991	573995846	/nfs/dbraw/zinc/99/58/46/573995846.db2.gz	SUMQGUSFHPXIKM-DAXSKMNVSA-N	1	3	185.296	0.754	10	70		ACIEHO