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)CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160600692	486976178	/nfs/dbraw/zinc/97/61/78/486976178.db2.gz	FYIPSOSDCCDBCJ-NEPJUHHUSA-N	2	1	198.354	2.092	20	70		AEIDMP
CCC(CC)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160575313	486976212	/nfs/dbraw/zinc/97/62/12/486976212.db2.gz	GUFMCBTZCXNZLB-PWSUYJOCSA-N	2	1	198.354	2.092	20	70		AEIDMP
CCC(CC)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160575442	486976288	/nfs/dbraw/zinc/97/62/88/486976288.db2.gz	GUFMCBTZCXNZLB-ZYHUDNBSSA-N	2	1	198.354	2.092	20	70		AEIDMP
C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(C)(C)C)C1	160573246	486976424	/nfs/dbraw/zinc/97/64/24/486976424.db2.gz	RLKATGDXMOIGFX-WDEREUQCSA-N	2	1	198.354	2.092	20	70		AEIDMP
C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(C)(C)C)C1	160573362	486976518	/nfs/dbraw/zinc/97/65/18/486976518.db2.gz	RLKATGDXMOIGFX-GHMZBOCLSA-N	2	1	198.354	2.092	20	70		AEIDMP
CC(C)CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160600803	486976550	/nfs/dbraw/zinc/97/65/50/486976550.db2.gz	FYIPSOSDCCDBCJ-VXGBXAGGSA-N	2	1	198.354	2.092	20	70		AEIDMP
C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(C)(C)C)C1	160573631	486976593	/nfs/dbraw/zinc/97/65/93/486976593.db2.gz	RLKATGDXMOIGFX-MNOVXSKESA-N	2	1	198.354	2.092	20	70		AEIDMP
C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(C)(C)C)C1	160573493	486976667	/nfs/dbraw/zinc/97/66/67/486976667.db2.gz	RLKATGDXMOIGFX-QWRGUYRKSA-N	2	1	198.354	2.092	20	70		AEIDMP
CC[NH2+]CC[NH2+]CC1CCCCCC1	161298832	486979574	/nfs/dbraw/zinc/97/95/74/486979574.db2.gz	QEOINGRVZFTAOY-UHFFFAOYSA-N	2	1	198.354	2.156	20	70		AEIDMP
CC(C)(C)CCC[N@@H+]1CCC[C@@H]([NH3+])C1	217844142	487028215	/nfs/dbraw/zinc/02/82/15/487028215.db2.gz	VYEYNBGKJPWRNM-LLVKDONJSA-N	2	1	198.354	2.236	20	70		AEIDMP
CC(C)(C)CCC[N@H+]1CCC[C@@H]([NH3+])C1	217844142	487028220	/nfs/dbraw/zinc/02/82/20/487028220.db2.gz	VYEYNBGKJPWRNM-LLVKDONJSA-N	2	1	198.354	2.236	20	70		AEIDMP
CC(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	217975507	487029002	/nfs/dbraw/zinc/02/90/02/487029002.db2.gz	UPFIQEOEGYXBAZ-NWDGAFQWSA-N	2	1	198.354	2.092	20	70		AEIDMP