smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)N1CCC(C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)(c2ccccc2)CC1	ZINC000013606845	562978828	/nfs/dbraw/zinc/97/88/28/562978828.db2.gz	CIPHKAFTAAPXPN-UHFFFAOYSA-N	2	3	459.679	2.161	1	0		JEAFHP
C[NH2+]CCCOc1cc2nc(N3CCCN(C)CC3)nc(NC3CC[NH+](C)CC3)c2cc1OC	ZINC000058575129	563207615	/nfs/dbraw/zinc/20/76/15/563207615.db2.gz	OFQMBJXGHLVKIV-UHFFFAOYSA-N	2	3	471.650	2.275	1	0		JEAFHP
C[NH2+]C[C@H](CCCCCC[C@](O)(C[NH2+]C1(C)CCNCC1)CC(=O)[O-])CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1	ZINC000085488147	560075847	/nfs/dbraw/zinc/07/58/47/560075847.db2.gz	RPVORQDJELLMCZ-ZNLQNUNWSA-N	2	3	498.753	2.382	1	0	biogenic,in-vitro	JEAFHP
C[NH2+]C[C@H](CCCCCC[C@](O)(CNC1(C)CC[NH2+]CC1)CC(=O)[O-])CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1	ZINC000085488147	560075848	/nfs/dbraw/zinc/07/58/48/560075848.db2.gz	RPVORQDJELLMCZ-ZNLQNUNWSA-N	2	3	498.753	2.382	1	0	biogenic,in-vitro	JEAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1	ZINC000013835275	563001270	/nfs/dbraw/zinc/00/12/70/563001270.db2.gz	YKMDOKJBGDNCAX-VWLOTQADSA-N	2	3	489.705	2.204	1	0		JEAFHP
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C[C@H](C)C[NH3+])CC2)CC1	ZINC000013439975	562962906	/nfs/dbraw/zinc/96/29/06/562962906.db2.gz	RUMYENPTTPIVMD-MRXNPFEDSA-N	2	3	452.043	2.432	1	0		JEAFHP
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C[C@@H](C)C[NH3+])CC2)CC1	ZINC000013439973	562962924	/nfs/dbraw/zinc/96/29/24/562962924.db2.gz	RUMYENPTTPIVMD-INIZCTEOSA-N	2	3	452.043	2.432	1	0		JEAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1	ZINC000013835273	563001330	/nfs/dbraw/zinc/00/13/30/563001330.db2.gz	ARFQMYXYPXBIKQ-VWLOTQADSA-N	2	3	489.705	2.204	1	0		JEAFHP
CCCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN	ZINC000028476352	563066021	/nfs/dbraw/zinc/06/60/21/563066021.db2.gz	UAGWZJAAQWXATC-VWLOTQADSA-N	2	3	469.674	2.482	1	0		JEAFHP