smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1ccccc1CC[N+](C)(C)C	152560	342928564	/nfs/dbraw/zinc/92/85/64/342928564.db2.gz	NHBGDCJZIATFOG-UHFFFAOYSA-N	2	0	180.295	0.760	40	5		ACBBRP
C[N+](C)(C)CCSC(N)=[NH2+]	4307088	342990428	/nfs/dbraw/zinc/99/04/28/342990428.db2.gz	LTMVFDFUNHZVCZ-UHFFFAOYSA-N	2	0	162.282	0.319	40	5		ACBBRP
C[N+](C)(C)C12CC[NH+](CC1)CC2	68604059	343412223	/nfs/dbraw/zinc/41/22/23/343412223.db2.gz	BPOJYNLWTFLPEQ-UHFFFAOYSA-N	2	0	169.292	0.931	40	5		ACBBRP
C1C[N+]23CCC[N+]2(C1)CCC3	19167057	166109720	/nfs/dbraw/zinc/10/97/20/166109720.db2.gz	PYGJOUPTFFZYNV-UHFFFAOYSA-N	2	0	154.257	0.746	40	5		ACBBRP
CCCC[N+](C)(C)[NH3+]	1670597	166930748	/nfs/dbraw/zinc/93/07/48/166930748.db2.gz	VNGAQRBGMOZLSW-UHFFFAOYSA-N	2	0	117.216	0.737	40	5		ACBBRP
C[N+](C)(C)CCC[N+](C)(C)C	1730252	168692241	/nfs/dbraw/zinc/69/22/41/168692241.db2.gz	BLLKHGYXCDSZGT-UHFFFAOYSA-N	2	0	160.305	0.789	40	5		ACBBRP
C[N+]1(C)CCC[N+](C)(C)CC1	1677209	171000161	/nfs/dbraw/zinc/00/01/61/171000161.db2.gz	MVDZCCMHLFHOJZ-UHFFFAOYSA-N	2	0	158.289	0.543	40	5		ACBBRP
C[N+]1([NH3+])CCCCCC1	1736410	171002001	/nfs/dbraw/zinc/00/20/01/171002001.db2.gz	SKSCFNWXEDGUKD-UHFFFAOYSA-N	2	0	129.227	0.881	40	5		ACBBRP
C[N+](C)(C)C/C=C/C[N+](C)(C)C	1682442	342957955	/nfs/dbraw/zinc/95/79/55/342957955.db2.gz	MPVSFQXDGNWWOR-BQYQJAHWSA-N	2	0	172.316	0.955	40	5		ACBBRP
CCC(CC[NH3+])(CC[NH3+])[N+](=O)[O-]	1857396	342965096	/nfs/dbraw/zinc/96/50/96/342965096.db2.gz	RGFSSJCKUMIQNR-UHFFFAOYSA-N	2	0	175.232	0.110	40	5		ACBBRP
C[N+](C)(C)C/C=C\C[N+](C)(C)C	5218060	342999971	/nfs/dbraw/zinc/99/99/71/342999971.db2.gz	MPVSFQXDGNWWOR-FPLPWBNLSA-N	2	0	172.316	0.955	40	5		ACBBRP
CC[N+]12CC[N+](CC)(CC1)C2	19319485	409315093	/nfs/dbraw/zinc/31/50/93/409315093.db2.gz	UDXKIPLCCQHQEX-UHFFFAOYSA-N	2	0	156.273	0.645	40	5		ACBBRP