smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000072173042	563165094	/nfs/dbraw/zinc/16/50/94/563165094.db2.gz	VKCDPCCERFVJMZ-OAQYLSRUSA-N	2	2	433.899	2.987	1	30		IFEFLP
CC[NH+](CC)CC[NH+]=C(NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000066079794	563157874	/nfs/dbraw/zinc/15/78/74/563157874.db2.gz	NVNHXHHENPVCRD-UHFFFAOYSA-N	2	2	441.363	2.826	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000072173043	563165150	/nfs/dbraw/zinc/16/51/50/563165150.db2.gz	VKCDPCCERFVJMZ-NRFANRHFSA-N	2	2	433.899	2.987	1	30		IFEFLP
Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CC[NH+](C)CC2)n1)c1ccc(C#N)cc1	ZINC000013489594	562990023	/nfs/dbraw/zinc/99/00/23/562990023.db2.gz	BZPUIQDRTMTNME-QHCPKHFHSA-N	2	2	427.512	2.616	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(C(=O)c3cccc(Cl)c3)C2=O)cc1	ZINC000040420338	563102041	/nfs/dbraw/zinc/10/20/41/563102041.db2.gz	KYPUJSDJTKKTQO-NRFANRHFSA-N	2	2	433.899	2.987	1	30		IFEFLP
CC(C)NC(=[NH2+])NN=Cc1ccc(-c2cn3cc(C=NNC(=[NH2+])NC(C)C)ccc3n2)cc1	ZINC000027431077	563042312	/nfs/dbraw/zinc/04/23/12/563042312.db2.gz	LSNLRXNNWYRMGP-UHFFFAOYSA-N	2	2	446.563	2.714	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2=O)cc1	ZINC000040420340	563102035	/nfs/dbraw/zinc/10/20/35/563102035.db2.gz	KYPUJSDJTKKTQO-OAQYLSRUSA-N	2	2	433.899	2.987	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2CN(CCC[NH3+])[C@@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000040698358	563105962	/nfs/dbraw/zinc/10/59/62/563105962.db2.gz	NJRTXLQMEKTXLZ-RUZDIDTESA-N	2	2	442.567	2.755	1	30		IFEFLP
COc1ccc(O)c(/C=N/CCC[NH2+]CC[NH2+]CCC/N=C/c2cc(OC)ccc2O)c1	ZINC000027439356	563042426	/nfs/dbraw/zinc/04/24/26/563042426.db2.gz	SGVUZVBFQRTTSJ-XUIWWLCJSA-N	2	2	442.560	2.612	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(C(=O)c3ccccc3Cl)C2=O)cc1	ZINC000072174989	563165321	/nfs/dbraw/zinc/16/53/21/563165321.db2.gz	HPSGNYRPLZTKLH-NRFANRHFSA-N	2	2	433.899	2.987	1	30		IFEFLP
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCC[NH+]3CCN(C)CC3)cc2C1[N+](C)=O	ZINC000101141169	581098701	/nfs/dbraw/zinc/09/87/01/581098701.db2.gz	FZMNVKASGCNVIQ-AZPGRJICSA-N	2	2	449.551	2.621	1	30		IFEFLP
C(=NNC1=[NH+]CCCN1)c1c2ccccc2c(C=NNC2=[NH+]CCCN2)c2ccccc12	ZINC000027559946	563044111	/nfs/dbraw/zinc/04/41/11/563044111.db2.gz	QXAZWDRIKVHWEM-CMNXJCJSSA-N	2	2	426.528	2.539	1	30		IFEFLP
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCC[NH+]3CCOCC3)cc2C1[N+](C)=O	ZINC000028956047	563070256	/nfs/dbraw/zinc/07/02/56/563070256.db2.gz	IPMKXUPPEBQHQL-LCUIJRPUSA-N	2	2	436.508	2.705	1	30		IFEFLP
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCC[NH+]3CCOCC3)cc2C1[N+](C)=O	ZINC000101119859	581098673	/nfs/dbraw/zinc/09/86/73/581098673.db2.gz	IPMKXUPPEBQHQL-SHHOIMCASA-N	2	2	436.508	2.705	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@@H]2CCN(C(=O)c3ccccc3Cl)C2=O)cc1	ZINC000072174990	563165311	/nfs/dbraw/zinc/16/53/11/563165311.db2.gz	HPSGNYRPLZTKLH-OAQYLSRUSA-N	2	2	433.899	2.987	1	30		IFEFLP
N#Cc1ccc(Cn2c[nH+]cc2CN(CCC[NH3+])[C@H]2CCN(Cc3ccccc3)C2=O)cc1	ZINC000013863883	563013454	/nfs/dbraw/zinc/01/34/54/563013454.db2.gz	NJRTXLQMEKTXLZ-VWLOTQADSA-N	2	2	442.567	2.755	1	30		IFEFLP
Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CC[NH+](C)CC2)n1)c1ccc(C#N)cc1	ZINC000013489595	562990004	/nfs/dbraw/zinc/99/00/04/562990004.db2.gz	BZPUIQDRTMTNME-HSZRJFAPSA-N	2	2	427.512	2.616	1	30		IFEFLP
CC(C)N1C(=O)C(=O)N=C1NC(Nc1ccc(Cl)c(Cl)c1)=[NH+]CC[NH+]1CCCC1	ZINC000066079796	563157904	/nfs/dbraw/zinc/15/79/04/563157904.db2.gz	OZGLZRQKRUMHOU-UHFFFAOYSA-N	2	2	439.347	2.580	1	30		IFEFLP
COc1ccc(/C=N/CCC[NH2+]CC[NH2+]CCC/N=C/c2ccc(OC)cc2O)c(O)c1	ZINC000027442400	563042463	/nfs/dbraw/zinc/04/24/63/563042463.db2.gz	XEUDCPIHSXEGIC-XUIWWLCJSA-N	2	2	442.560	2.612	1	30		IFEFLP