smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2cc3c(cc2cc(C[NH+]2CCC([N@@H+]4CCC[C@H](C(=O)OCC)C4)CC2)c1=O)CCC3	ZINC000012454459	519261534	/nfs/dbraw/zinc/26/15/34/519261534.db2.gz	GXCKELMHJUUONY-QHCPKHFHSA-N	2	2	477.649	3.916	50	30		JHEALP
C=CCn1c2cc3c(cc2cc(C[NH+]2CCC([N@H+]4CCC[C@H](C(=O)OCC)C4)CC2)c1=O)CCC3	ZINC000012454459	519261539	/nfs/dbraw/zinc/26/15/39/519261539.db2.gz	GXCKELMHJUUONY-QHCPKHFHSA-N	2	2	477.649	3.916	50	30		JHEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@H+](C)Cc1cccc3ccccc31)C2	ZINC000014744734	519289630	/nfs/dbraw/zinc/28/96/30/519289630.db2.gz	FLXHPAPAOXJQSN-QHCPKHFHSA-N	2	2	457.622	3.599	50	30		JHEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1cccc3ccccc31)C2	ZINC000014744734	519289638	/nfs/dbraw/zinc/28/96/38/519289638.db2.gz	FLXHPAPAOXJQSN-QHCPKHFHSA-N	2	2	457.622	3.599	50	30		JHEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1cccc3ccccc31)C2	ZINC000014744733	519286741	/nfs/dbraw/zinc/28/67/41/519286741.db2.gz	FLXHPAPAOXJQSN-HSZRJFAPSA-N	2	2	457.622	3.599	50	30		JHEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1cccc3ccccc31)C2	ZINC000014744733	519286747	/nfs/dbraw/zinc/28/67/47/519286747.db2.gz	FLXHPAPAOXJQSN-HSZRJFAPSA-N	2	2	457.622	3.599	50	30		JHEALP
C=CCn1c2cc3c(cc2cc(C[NH+]2CCC([N@@H+]4CCC[C@@H](C(=O)OCC)C4)CC2)c1=O)CCC3	ZINC000012454458	519261570	/nfs/dbraw/zinc/26/15/70/519261570.db2.gz	GXCKELMHJUUONY-HSZRJFAPSA-N	2	2	477.649	3.916	50	30		JHEALP
C=CCn1c2cc3c(cc2cc(C[NH+]2CCC([N@H+]4CCC[C@@H](C(=O)OCC)C4)CC2)c1=O)CCC3	ZINC000012454458	519261578	/nfs/dbraw/zinc/26/15/78/519261578.db2.gz	GXCKELMHJUUONY-HSZRJFAPSA-N	2	2	477.649	3.916	50	30		JHEALP
N#Cc1c2c(c(NCCC[NH+]3CCOCC3)nc1N1CCCCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000095346037	569722308	/nfs/dbraw/zinc/72/23/08/569722308.db2.gz	QJZGZHOQBZKNSJ-UHFFFAOYSA-N	2	2	474.653	3.636	50	30		JHEALP
N#Cc1c2c(c(NCCC[NH+]3CCOCC3)nc1N1CCCCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000095346037	569722309	/nfs/dbraw/zinc/72/23/09/569722309.db2.gz	QJZGZHOQBZKNSJ-UHFFFAOYSA-N	2	2	474.653	3.636	50	30		JHEALP
N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000019921329	555539794	/nfs/dbraw/zinc/53/97/94/555539794.db2.gz	DYCBMLRPQNHPLO-UHFFFAOYSA-N	2	2	485.657	3.934	50	30		JHEALP
N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000019921329	555539797	/nfs/dbraw/zinc/53/97/97/555539797.db2.gz	DYCBMLRPQNHPLO-UHFFFAOYSA-N	2	2	485.657	3.934	50	30		JHEALP