smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](CCCO)CCn1ccnc1	160374831	538044872	/nfs/dbraw/zinc/04/48/72/538044872.db2.gz	TXTZKWQBBLMHKY-UHFFFAOYSA-N	2	0	197.282	0.587	20	70		ACIDRP
CCOCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159507462	486972796	/nfs/dbraw/zinc/97/27/96/486972796.db2.gz	JAMLLFVSWGDMIJ-ZJUUUORDSA-N	2	0	186.299	0.692	20	70		ACIDRP
COC[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159508334	486972907	/nfs/dbraw/zinc/97/29/07/486972907.db2.gz	SXKAFIKWZWTLIZ-AEJSXWLSSA-N	2	0	186.299	0.690	20	70		ACIDRP
CCOCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	159507593	486973494	/nfs/dbraw/zinc/97/34/94/486973494.db2.gz	JAMLLFVSWGDMIJ-NXEZZACHSA-N	2	0	186.299	0.692	20	70		ACIDRP
CC[NH2+]CC[NH2+]C[C@H]1CCSC1	161309954	486979596	/nfs/dbraw/zinc/97/95/96/486979596.db2.gz	ZOCGUMJVJJPFHB-SECBINFHSA-N	2	0	188.340	0.939	20	70		ACIDRP
CC[NH2+]CC[NH2+]C[C@@H]1CCSC1	161309833	486980117	/nfs/dbraw/zinc/98/01/17/486980117.db2.gz	ZOCGUMJVJJPFHB-VIFPVBQESA-N	2	0	188.340	0.939	20	70		ACIDRP
CNC(=[NH2+])NCCC[N@H+](C)C(C)C	217999851	583491914	/nfs/dbraw/zinc/49/19/14/583491914.db2.gz	SPARIFGZFPFAHN-UHFFFAOYSA-N	2	0	186.303	0.460	20	70		ACIDRP
CC(C)[N@H+](C)CCCNC(N)=[NH2+]	217999718	344408874	/nfs/dbraw/zinc/40/88/74/344408874.db2.gz	OHXMZXYJOZLBGU-UHFFFAOYSA-N	2	0	172.276	0.200	20	70		ACIDRP
[NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1	217474165	409513281	/nfs/dbraw/zinc/51/32/81/409513281.db2.gz	AMKXIKBQTXLEQO-QWRGUYRKSA-N	2	0	198.310	0.836	20	70		ACIDRP