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(CN1CCN(C(=O)C23CNCC2C[NH2+]C3)CC1)N1CCCCC1	ZINC000065369910	374300860	/nfs/dbraw/zinc/30/08/60/374300860.db2.gz	VMAVGXNRHANDRG-UHFFFAOYSA-N	1	3	349.479	-1.048	50	0		EAAAHO
O=C(NCCN1CCN(c2ncccn2)CC1)C12CNCC1C[NH2+]C2	ZINC000065407763	374300457	/nfs/dbraw/zinc/30/04/57/374300457.db2.gz	JPZVHFZCPBDIAO-UHFFFAOYSA-N	1	3	345.451	-1.476	50	0		EAAAHO
CN1CCCN(CC(N)=O)CC[N@@H+](C)CCCN(CC(N)=O)CC1	ZINC000068605083	414838798	/nfs/dbraw/zinc/83/87/98/414838798.db2.gz	MPNKIVHHGITQNJ-UHFFFAOYSA-N	1	3	342.488	-1.782	50	0		EAAAHO
CN1CCCN(CC(N)=O)CC[N@H+](C)CCCN(CC(N)=O)CC1	ZINC000068605083	414838792	/nfs/dbraw/zinc/83/87/92/414838792.db2.gz	MPNKIVHHGITQNJ-UHFFFAOYSA-N	1	3	342.488	-1.782	50	0		EAAAHO
CN1CC[C@H]2CN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)C[C@H]21	ZINC000077427400	203388509	/nfs/dbraw/zinc/38/85/09/203388509.db2.gz	KGPFAQZHYDKLMO-DZGCQCFKSA-N	1	3	333.440	-1.041	50	0		EAAAHO
NS(=O)(=O)c1ccc(CCNC[C@]2(O)C[NH2+]CCOC2)cc1	ZINC000077537289	203394176	/nfs/dbraw/zinc/39/41/76/203394176.db2.gz	ODFIJWBDBFYTTR-AWEZNQCLSA-N	1	3	329.422	-1.183	50	0		EAAAHO
NS(=O)(=O)c1ccc(CCNC[C@@]2(O)C[NH2+]CCOC2)cc1	ZINC000077537296	374328329	/nfs/dbraw/zinc/32/83/29/374328329.db2.gz	ODFIJWBDBFYTTR-CQSZACIVSA-N	1	3	329.422	-1.183	50	0		EAAAHO
Cc1cc(N2CCN(CC(=O)N3CCNCC3)C[C@H](O)C2)nc(N)[nH+]1	ZINC000097674136	219045807	/nfs/dbraw/zinc/04/58/07/219045807.db2.gz	RQYQKSOOVCXWAL-ZDUSSCGKSA-N	1	3	349.439	-1.718	50	0		EAAAHO