smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000218156020	526784060	/nfs/dbraw/zinc/78/40/60/526784060.db2.gz	SJZOQVMOZYVXPR-UHFFFAOYSA-N	2	2	369.473	0.734	50	70		FCIALP
C[N@H+](CC(=O)N1CCC2(CC1)C(=O)NCCC[NH+]2C)Cc1cccnc1	ZINC000217180679	522429827	/nfs/dbraw/zinc/42/98/27/522429827.db2.gz	KEOAZJRBSSXPHP-UHFFFAOYSA-N	2	2	359.474	0.326	50	70		FCIALP
C[N@@H+](CC(=O)N1CCC2(CC1)C(=O)NCCC[NH+]2C)Cc1cccnc1	ZINC000217180679	522429833	/nfs/dbraw/zinc/42/98/33/522429833.db2.gz	KEOAZJRBSSXPHP-UHFFFAOYSA-N	2	2	359.474	0.326	50	70		FCIALP
C[NH+](CC(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C)Cc1cccnc1	ZINC000217180679	522429841	/nfs/dbraw/zinc/42/98/41/522429841.db2.gz	KEOAZJRBSSXPHP-UHFFFAOYSA-N	2	2	359.474	0.326	50	70		FCIALP
C[NH+](CC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)Cc1cccnc1	ZINC000217180679	522429845	/nfs/dbraw/zinc/42/98/45/522429845.db2.gz	KEOAZJRBSSXPHP-UHFFFAOYSA-N	2	2	359.474	0.326	50	70		FCIALP
Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)n1	ZINC000218466054	527547582	/nfs/dbraw/zinc/54/75/82/527547582.db2.gz	YAWOHYPCISXEJK-UHFFFAOYSA-N	2	2	373.505	0.398	50	70		FCIALP
CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccco2)CC1	ZINC000218636286	488443123	/nfs/dbraw/zinc/44/31/23/488443123.db2.gz	UTUAOOXDVASUBP-YYIAUSFCSA-N	2	2	369.487	0.539	50	70		FCIALP