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)(C)c1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1O	ZINC000067956090	432047963	/nfs/dbraw/zinc/04/79/63/432047963.db2.gz	SJKMZVCBVGZCPQ-UHFFFAOYSA-N	2	0	302.462	3.265	50	10		DGCARP
Oc1cc(C[NH+]2CCCCC2)c(O)cc1C[NH+]1CCCCC1	ZINC000000224858	431146249	/nfs/dbraw/zinc/14/62/49/431146249.db2.gz	NGSODXNPVIELMQ-UHFFFAOYSA-N	2	0	304.434	3.070	50	10		DGCARP
Cc1ccc(O)c(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)c1	ZINC000065494319	184355060	/nfs/dbraw/zinc/35/50/60/184355060.db2.gz	OOLYABGRRYIVJK-INIZCTEOSA-N	2	0	302.462	3.397	50	10		DGCARP
COc1cccc(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O	ZINC000065374355	184331222	/nfs/dbraw/zinc/33/12/22/184331222.db2.gz	NAAGOUVJWGYRJW-UHFFFAOYSA-N	2	0	306.450	3.142	50	10		DGCARP
Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000012712230	657571223	/nfs/dbraw/zinc/57/12/23/657571223.db2.gz	WAUVQLFFWAWTGG-IBGZPJMESA-N	2	0	300.446	3.090	50	10		DGCARP
Cc1ccc(O)c(C[NH+]2CCC([C@@H](C)[NH+]3CCCC3)CC2)c1	ZINC000065494315	184354763	/nfs/dbraw/zinc/35/47/63/184354763.db2.gz	OOLYABGRRYIVJK-MRXNPFEDSA-N	2	0	302.462	3.397	50	10		DGCARP
C[NH+](C)C1(CC2CC2)CCN(Cc2cccc(F)c2O)CC1	ZINC000581811416	1092279262	/nfs/dbraw/zinc/27/92/62/1092279262.db2.gz	XBYXMJJDHRASKG-UHFFFAOYSA-N	2	0	306.425	3.228	50	10		DGCARP
Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000012712225	657570412	/nfs/dbraw/zinc/57/04/12/657570412.db2.gz	WAUVQLFFWAWTGG-LJQANCHMSA-N	2	0	300.446	3.090	50	10		DGCARP
CN(C)c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1	ZINC000017318110	182082805	/nfs/dbraw/zinc/08/28/05/182082805.db2.gz	WQTUYEXUUYMBCA-UHFFFAOYSA-N	2	0	306.413	3.228	50	10		DGCARP