smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1[nH+]c2cc(/C=C/C(=O)NO)ccc2n1CC[NH3+]	ZINC000059786515	212018429	/nfs/dbraw/zinc/01/84/29/212018429.db2.gz	FVSKSGJFHGGNFO-ZRDIBKRKSA-N	2	2	358.486	3.417	1	30		FGEFLP
CC[N@@H+]1CCC[C@@H](n2c(C)c(C)[nH+]c2-c2cccc(/C=C/C(=O)NO)c2)C1	ZINC000049112652	205170029	/nfs/dbraw/zinc/17/00/29/205170029.db2.gz	BMVUXKYOODZALF-GNISGLHKSA-N	2	2	368.481	3.342	1	30		FGEFLP
CC[N@H+]1CCC[C@@H](n2c(C)c(C)[nH+]c2-c2cccc(/C=C/C(=O)NO)c2)C1	ZINC000049112652	205170033	/nfs/dbraw/zinc/17/00/33/205170033.db2.gz	BMVUXKYOODZALF-GNISGLHKSA-N	2	2	368.481	3.342	1	30		FGEFLP
CC(C)c1[nH+]c2cc(/C=C/C(=O)NO)ccc2n1CC(C)(C)C[NH+](C)C	ZINC000034986774	208117964	/nfs/dbraw/zinc/11/79/64/208117964.db2.gz	GQVZZIGSSJLRHG-CSKARUKUSA-N	2	2	358.486	3.266	1	30		FGEFLP
C[NH+]1CCN(c2nc(N)[nH+]c(-c3ccc(C#N)cc3)c2-c2ccccc2)CC1	ZINC000040954773	136120694	/nfs/dbraw/zinc/12/06/94/136120694.db2.gz	LQPZZGLWIAIMKL-UHFFFAOYSA-N	2	2	370.460	3.016	1	30		FGEFLP