smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](C)[NH2+][C@H]1CCCNCC1	160663309	541310997	/nfs/dbraw/zinc/31/09/97/541310997.db2.gz	NUPYMIJZLDRONJ-RYUDHWBXSA-N	1	3	198.354	2.153	10	70		AEIEHO
CC(C)C[C@H](C)[NH2+][C@@H]1CCCNCC1	160663056	541311014	/nfs/dbraw/zinc/31/10/14/541311014.db2.gz	NUPYMIJZLDRONJ-NWDGAFQWSA-N	1	3	198.354	2.153	10	70		AEIEHO
CC(C)C[C@@H](C)[NH2+][C@@H]1CCCNCC1	160662937	541311050	/nfs/dbraw/zinc/31/10/50/541311050.db2.gz	NUPYMIJZLDRONJ-VXGBXAGGSA-N	1	3	198.354	2.153	10	70		AEIEHO
CC(C)C[C@@H](C)[NH2+][C@H]1CCCNCC1	160663172	541311098	/nfs/dbraw/zinc/31/10/98/541311098.db2.gz	NUPYMIJZLDRONJ-NEPJUHHUSA-N	1	3	198.354	2.153	10	70		AEIEHO
CNCC[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C	216731292	571934445	/nfs/dbraw/zinc/93/44/45/571934445.db2.gz	ZDRBIJDUJOTANQ-UTUOFQBUSA-N	1	3	198.354	2.105	10	70		AEIEHO
CNCC[C@@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C	216731292	571934449	/nfs/dbraw/zinc/93/44/49/571934449.db2.gz	ZDRBIJDUJOTANQ-UTUOFQBUSA-N	1	3	198.354	2.105	10	70		AEIEHO
CCC[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)N)C1	160573080	486976398	/nfs/dbraw/zinc/97/63/98/486976398.db2.gz	VVAVHGPXXQMGDS-TUAOUCFPSA-N	1	3	198.354	2.092	10	70		AEIEHO
CCC[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)N)C1	160573080	486976401	/nfs/dbraw/zinc/97/64/01/486976401.db2.gz	VVAVHGPXXQMGDS-TUAOUCFPSA-N	1	3	198.354	2.092	10	70		AEIEHO
CC(C)[C@H](C)C[NH2+][C@@H]1CCCNCC1	160684388	486977333	/nfs/dbraw/zinc/97/73/33/486977333.db2.gz	CTXGOPNJBOLQLZ-VXGBXAGGSA-N	1	3	198.354	2.010	10	70		AEIEHO
CC(C)[C@H](C)C[NH2+][C@H]1CCCNCC1	160684661	486977643	/nfs/dbraw/zinc/97/76/43/486977643.db2.gz	CTXGOPNJBOLQLZ-NEPJUHHUSA-N	1	3	198.354	2.010	10	70		AEIEHO
CC(C)[C@@H](C)C[NH2+][C@H]1CCCNCC1	160684524	486977687	/nfs/dbraw/zinc/97/76/87/486977687.db2.gz	CTXGOPNJBOLQLZ-RYUDHWBXSA-N	1	3	198.354	2.010	10	70		AEIEHO
CC(C)[C@@H](C)C[NH2+][C@@H]1CCCNCC1	160684253	486977728	/nfs/dbraw/zinc/97/77/28/486977728.db2.gz	CTXGOPNJBOLQLZ-NWDGAFQWSA-N	1	3	198.354	2.010	10	70		AEIEHO
CC[NH2+]CCNCC1CCC(C)CC1	161299103	486979983	/nfs/dbraw/zinc/97/99/83/486979983.db2.gz	FHKYVHXQZGUWEM-UHFFFAOYSA-N	1	3	198.354	2.012	10	70		AEIEHO