smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(/N=C/c2c3ccccc3c(/C=N/N3CC[NH+](C)CC3)c3ccccc23)CC1	ZINC000027559562	563044151	/nfs/dbraw/zinc/04/41/51/563044151.db2.gz	SUBRIEUMEKYBBC-MKYUKRCKSA-N	2	2	428.584	3.156	1	30		IGEFLP
CCCCCCOc1c(C=NNC(N)=[NH2+])ccc(C=NNC(N)=[NH2+])c1OCCCCCC	ZINC000042965237	563116276	/nfs/dbraw/zinc/11/62/76/563116276.db2.gz	QCDIUYBDXOPTPU-DPCVLPDWSA-N	2	2	446.600	3.029	1	30		IGEFLP
COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]CCOc4ccccc4C#N)CC3)c2c1	ZINC000045334786	563131208	/nfs/dbraw/zinc/13/12/08/563131208.db2.gz	JIHZVQQMHDCKNK-VWLOTQADSA-N	2	2	446.551	3.281	1	30		IGEFLP
Cc1cccc(C)c1Nc1ncc(C2=CCC(CN3CC[NH+](C)CC3)=[S+]2)n2c[nH+]cc12	ZINC000028639683	581093071	/nfs/dbraw/zinc/09/30/71/581093071.db2.gz	AYAKAMXVVSOMGA-UHFFFAOYSA-N	3	2	433.605	3.337	1	30		IGEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@@H]2CCN(C(=O)c3cccc4ccccc43)C2=O)cc1	ZINC000033999240	563085250	/nfs/dbraw/zinc/08/52/50/563085250.db2.gz	KROZOAVPHLMZHO-RUZDIDTESA-N	2	2	449.514	3.487	1	30		IGEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(C(=O)c3cccc4ccccc43)C2=O)cc1	ZINC000072175494	563165424	/nfs/dbraw/zinc/16/54/24/563165424.db2.gz	KROZOAVPHLMZHO-VWLOTQADSA-N	2	2	449.514	3.487	1	30		IGEFLP
CN(C)C(=[NH2+])NN=Cc1c2ccccc2c(C=NNC(=[NH2+])N(C)C)c2cc(Cl)ccc12	ZINC000043397053	563120256	/nfs/dbraw/zinc/12/02/56/563120256.db2.gz	VMPJXOCWNGOZMK-JCAXBWHZSA-N	2	2	436.951	3.276	1	30		IGEFLP