smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O	ZINC000028564582	563057785	/nfs/dbraw/zinc/05/77/85/563057785.db2.gz	JKMQBGLZDUBJJR-JWQCQUIFSA-N	2	2	436.571	4.621	1	10		IJCFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1O	ZINC000028564582	563057787	/nfs/dbraw/zinc/05/77/87/563057787.db2.gz	JKMQBGLZDUBJJR-JWQCQUIFSA-N	2	2	436.571	4.621	1	10		IJCFLP
CCOC(=O)N1CC[NH+](Cc2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2O)CC1	ZINC000045285222	563128213	/nfs/dbraw/zinc/12/82/13/563128213.db2.gz	YIESPDJECGJBQD-UHFFFAOYSA-N	2	2	440.931	4.612	1	10		IJCFLP
Nc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	ZINC000029567080	563082645	/nfs/dbraw/zinc/08/26/45/563082645.db2.gz	AEZRBBDSRJSDKA-UHFFFAOYSA-N	2	2	443.570	4.925	1	10		IJCFLP
CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)o1	ZINC000053295981	563141836	/nfs/dbraw/zinc/14/18/36/563141836.db2.gz	VBSCODBERNHXCI-UHFFFAOYSA-N	2	2	448.611	4.605	1	10		IJCFLP