smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]Cc1c(C)sc(C)c1C[NH+](CC)Cc1c(C)sc(C)c1C[NH2+]CC	ZINC000003171566	557452874	/nfs/dbraw/zinc/45/28/74/557452874.db2.gz	HZOJQOQVKFVBOJ-UHFFFAOYSA-N	3	0	407.693	5.284	10	0		HKAERP
Clc1ccc(Cn2cc(C[NH2+]CC3CC[NH2+]CC3)c3ccccc32)c(Cl)c1	ZINC000010315398	557859426	/nfs/dbraw/zinc/85/94/26/557859426.db2.gz	VUDLQDORAKERGZ-UHFFFAOYSA-N	2	0	402.369	5.086	10	0		HKAERP
Cc1c(C[NH2+]CC2CC[NH2+]CC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000010315399	557859446	/nfs/dbraw/zinc/85/94/46/557859446.db2.gz	RCVARPUICINLLQ-UHFFFAOYSA-N	2	0	416.396	5.394	10	0		HKAERP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000013734646	558587992	/nfs/dbraw/zinc/58/79/92/558587992.db2.gz	AVLLZBJTVDAEBH-UHFFFAOYSA-N	2	0	418.412	5.818	10	0		HKAERP
CCOc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccc(Cl)cc1Cl	ZINC000013736315	558588618	/nfs/dbraw/zinc/58/86/18/558588618.db2.gz	QWWUKNKOMBSLGB-UHFFFAOYSA-N	2	0	423.384	5.060	10	0		HKAERP
Cc1c(C[NH2+]CCC[NH+](C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000020477803	558374491	/nfs/dbraw/zinc/37/44/91/558374491.db2.gz	PZAKAEPCQIDFIJ-UHFFFAOYSA-N	2	0	404.385	5.346	10	0		HKAERP
Cc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](C[NH+]3CCCCC3)C2)c1	ZINC000034723349	557425999	/nfs/dbraw/zinc/42/59/99/557425999.db2.gz	YGROLECMJXJYJV-UPVQGACJSA-N	2	0	416.531	5.715	10	0		HKAERP
Cc1cccc(C[N@@H+]2C[C@@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000034723350	557425967	/nfs/dbraw/zinc/42/59/67/557425967.db2.gz	YGROLECMJXJYJV-VWNXMTODSA-N	2	0	416.531	5.715	10	0		HKAERP
c1ccc(C(c2ccccc2)(c2ccccc2)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000095635067	559087750	/nfs/dbraw/zinc/08/77/50/559087750.db2.gz	QJAGUTKAAAHJHF-UHFFFAOYSA-N	2	0	405.545	5.196	10	0		HKAERP
Cc1cccc(C[N@@H+]2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000105047226	560860626	/nfs/dbraw/zinc/86/06/26/560860626.db2.gz	YGROLECMJXJYJV-ISKFKSNPSA-N	2	0	416.531	5.715	10	0		HKAERP
Cc1cccc(C[N@@H+]2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000169679898	569127024	/nfs/dbraw/zinc/12/70/24/569127024.db2.gz	YGROLECMJXJYJV-LADGPHEKSA-N	2	0	416.531	5.715	10	0		HKAERP
CC1(C)CC(=C2C=C[C@H]3[C@@H]4C=C[C@@H](C4=C4CC(C)(C)[NH2+]C(C)(C)C4)[C@@H]23)CC(C)(C)[NH2+]1	ZINC000169682953	560765501	/nfs/dbraw/zinc/76/55/01/560765501.db2.gz	JWTSWIHDBSKTDE-CDNNERCOSA-N	2	0	406.658	6.079	10	0		HKAERP