smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000067870686	560050543	/nfs/dbraw/zinc/05/05/43/560050543.db2.gz	YZQGKSINIOZBGF-BBTUJRGHSA-N	2	0	401.624	2.867	40	30	biogenic,in-vitro	HFEBRP
CC(=O)/C(=C\c1ccc(/C=C(/C(C)=O)C(=O)CC[NH+](C)C)cc1)C(=O)CC[NH+](C)C	ZINC000001584692	557274118	/nfs/dbraw/zinc/27/41/18/557274118.db2.gz	SCYAPUUTFKHZBE-KBNZVFGVSA-N	2	0	412.530	2.673	40	30		HFEBRP
CC(=O)/C(=C/c1ccc(/C=C(/C(C)=O)C(=O)CC[NH+](C)C)cc1)C(=O)CC[NH+](C)C	ZINC000001584694	557274182	/nfs/dbraw/zinc/27/41/82/557274182.db2.gz	SCYAPUUTFKHZBE-BMJUYKDLSA-N	2	0	412.530	2.673	40	30		HFEBRP
CC(=O)/C(=C\c1ccc(/C=C(\C(C)=O)C(=O)CC[NH+](C)C)cc1)C(=O)CC[NH+](C)C	ZINC000104233168	559159305	/nfs/dbraw/zinc/15/93/05/559159305.db2.gz	SCYAPUUTFKHZBE-YHARCJFQSA-N	2	0	412.530	2.673	40	30		HFEBRP
C=CC[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+]CC=C)ccc3o2)cc1	ZINC000036646482	518951054	/nfs/dbraw/zinc/95/10/54/518951054.db2.gz	UWQZRZUXIFGRDP-UHFFFAOYSA-N	2	0	419.485	2.923	40	30		HFEBRP