smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1	ZINC000302888728	336373393	/nfs/dbraw/zinc/37/33/93/336373393.db2.gz	MUZASWHYXGLIBZ-UHFFFAOYSA-N	1	2	302.338	-1.084	10	30		DAEELO
C#CCNC(=O)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1	ZINC000302888728	336373394	/nfs/dbraw/zinc/37/33/94/336373394.db2.gz	MUZASWHYXGLIBZ-UHFFFAOYSA-N	1	2	302.338	-1.084	10	30		DAEELO
O=C(CN1CCOCC1=O)NC[C@H](O)C[NH+]1CCOCC1	ZINC000329828524	336087017	/nfs/dbraw/zinc/08/70/17/336087017.db2.gz	DGFDCZMZQNBODF-NSHDSACASA-N	1	2	301.343	-1.505	10	30		DAEELO
C[C@H](CNC(=O)NCCN1C(=O)CNC1=O)[NH+]1CCOCC1	ZINC000329383898	545659218	/nfs/dbraw/zinc/65/92/18/545659218.db2.gz	PBBUCDPJMYDCJF-SNVBAGLBSA-N	1	2	313.358	-1.033	10	30		DAEELO
NC(=N[N+](=O)[O-])NCC[NH+]1CCN(NC=N[N+](=O)[O-])CC1	ZINC000020160714	182194076	/nfs/dbraw/zinc/19/40/76/182194076.db2.gz	AKJWZLZULQINCM-UHFFFAOYSA-N	1	2	303.283	-2.575	10	30		DAEELO
C#CCNC(=O)CNc1cc(NCC(=O)NCC#C)[nH+]cn1	ZINC000302708464	336365921	/nfs/dbraw/zinc/36/59/21/336365921.db2.gz	CZIMVKIDMNJBMC-UHFFFAOYSA-N	1	2	300.322	-1.201	10	30		DAEELO
NC(=[NH2+])NC(=O)c1nc(I)c(N)nc1N	ZINC000060057279	184144003	/nfs/dbraw/zinc/14/40/03/184144003.db2.gz	FKXYVYMLZGVJIM-UHFFFAOYSA-N	1	2	321.082	-1.341	10	30		DAEELO
C[C@@H](CNC(=O)NCCN1C(=O)CNC1=O)[NH+]1CCOCC1	ZINC000329383895	335970333	/nfs/dbraw/zinc/97/03/33/335970333.db2.gz	PBBUCDPJMYDCJF-JTQLQIEISA-N	1	2	313.358	-1.033	10	30		DAEELO
O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH+]1CCOCC1	ZINC000329828517	336087040	/nfs/dbraw/zinc/08/70/40/336087040.db2.gz	DGFDCZMZQNBODF-LLVKDONJSA-N	1	2	301.343	-1.505	10	30		DAEELO