smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCS(=O)(=O)NCCCNC(NCC[NH+]1CCCCC1)=[NH+]C	ZINC000076016588	379746949	/nfs/dbraw/zinc/74/69/49/379746949.db2.gz	KEZAZCXAIAKNIA-UHFFFAOYSA-N	2	0	333.502	-0.033	50	30		EBEARP
CC[NH+]1CCN([C@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1	ZINC000253419600	379115324	/nfs/dbraw/zinc/11/53/24/379115324.db2.gz	ICWZTEPXJJJYSQ-MRXNPFEDSA-N	2	0	340.516	-0.490	50	30		EBEARP
CC[NH+]1CCN([C@@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1	ZINC000253419599	379115540	/nfs/dbraw/zinc/11/55/40/379115540.db2.gz	ICWZTEPXJJJYSQ-INIZCTEOSA-N	2	0	340.516	-0.490	50	30		EBEARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCN(c3ncccc3C#N)CC2)C1	ZINC000065535152	649964201	/nfs/dbraw/zinc/96/42/01/649964201.db2.gz	LRPGIDSQBUOQQA-CRAIPNDOSA-N	2	0	340.431	-0.247	50	30		EBEARP
CN1CCc2c(C#N)c(N3CCN(CCO)CC3)n3cnnc3c2C1	ZINC000013693128	419002497	/nfs/dbraw/zinc/00/24/97/419002497.db2.gz	JGSYGUFKPPHIJG-UHFFFAOYSA-N	2	0	341.419	-0.297	50	30		EBEARP