smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2c1cc(O)c(O)c2C[NH+](CCO)CCO	ZINC000000186268	395679940	/nfs/dbraw/zinc/67/99/40/395679940.db2.gz	VQSXXDXNONIOGW-UHFFFAOYSA-N	1	2	309.318	0.299	40	10	in-man	DCCBLO
CCOC(=O)CNC(=O)C([N+]#N)=C(O)COc1ccc(F)cc1	ZINC000004934722	181175072	/nfs/dbraw/zinc/17/50/72/181175072.db2.gz	RSWXJBGDAYWRQC-UHFFFAOYSA-N	1	2	323.280	0.124	40	10		DCCBLO
Oc1c(CN2CCOCC2)cc(C[NH+]2CCOCC2)c(O)c1O	ZINC000031637806	395707143	/nfs/dbraw/zinc/70/71/43/395707143.db2.gz	OLWXHJQGZRMVFN-UHFFFAOYSA-N	1	2	324.377	0.468	40	10		DCCBLO
CCCCN1C(=O)NC(=O)C(=CNN2CC[NH+](C)CC2)C1=O	ZINC000038168527	1171452398	/nfs/dbraw/zinc/45/23/98/1171452398.db2.gz	ITELGGRFLUILPW-KHPPLWFESA-N	1	2	309.370	0.341	40	10		DCCBLO
Oc1cc(O)c(C[NH+]2CCOCC2)cc1CN1CCOCC1	ZINC000031637799	395707089	/nfs/dbraw/zinc/70/70/89/395707089.db2.gz	WXVVUTRWEUNGLY-UHFFFAOYSA-N	1	2	308.378	0.762	40	10		DCCBLO
C[NH+]1CCN(c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)CC1	ZINC000022239090	290057511	/nfs/dbraw/zinc/05/75/11/290057511.db2.gz	YFFWIQQGTCUKQT-UHFFFAOYSA-N	1	2	304.306	0.621	40	10		DCCBLO
Oc1cc(CN2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000031924404	395708475	/nfs/dbraw/zinc/70/84/75/395708475.db2.gz	MBWBRVQYZKCKNC-UHFFFAOYSA-N	1	2	308.378	0.762	40	10		DCCBLO
Oc1ccc(O)c(C[NH+]2CCOCC2)c1CN1CCOCC1	ZINC000031628928	395707183	/nfs/dbraw/zinc/70/71/83/395707183.db2.gz	VGGCCFJPNBJZIR-UHFFFAOYSA-N	1	2	308.378	0.762	40	10		DCCBLO
Cc1cccc(N2C(=O)NC(=O)C(=CNCC[NH+](C)C)C2=O)c1	ZINC000101364014	1175997021	/nfs/dbraw/zinc/99/70/21/1175997021.db2.gz	NIADUJCGHWABTL-RAXLEYEMSA-N	1	2	316.361	0.613	40	10		DCCBLO
O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCCn1cc[nH+]c1	ZINC000102516528	1176011399	/nfs/dbraw/zinc/01/13/99/1176011399.db2.gz	IUMHPCKEFSJQGK-FLIBITNWSA-N	1	2	319.390	0.564	40	10		DCCBLO
Oc1cc(CN2CCOCC2)cc(C[NH+]2CCOCC2)c1O	ZINC000032011226	395709003	/nfs/dbraw/zinc/70/90/03/395709003.db2.gz	JSKHZIXTKOGMHB-UHFFFAOYSA-N	1	2	308.378	0.762	40	10		DCCBLO