smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(NCCCc1c[nH]c[nH+]1)NCC[C@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816102	560220544	/nfs/dbraw/zinc/22/05/44/560220544.db2.gz	ZOROCGHIPADEFK-LJQANCHMSA-N	2	2	396.926	3.517	1	30	in-vitro	GHEFLP
[NH2+]=C(NCCCc1c[nH+]c[nH]1)NCC[C@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816102	560220545	/nfs/dbraw/zinc/22/05/45/560220545.db2.gz	ZOROCGHIPADEFK-LJQANCHMSA-N	2	2	396.926	3.517	1	30	in-vitro	GHEFLP
C[NH2+]Cc1cc(C#CCC[NH+]2CCOCC2)ccc1Oc1ccc(Cl)cc1	ZINC000028825126	206255999	/nfs/dbraw/zinc/25/59/99/206255999.db2.gz	AGFIIERRTNLUMS-UHFFFAOYSA-N	2	2	384.907	3.926	1	30	in-vitro	GHEFLP
C[NH+](C)CCC/[NH+]=C/c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000013584028	210071169	/nfs/dbraw/zinc/07/11/69/210071169.db2.gz	BMXPYQLSDFVEMO-BPQJVUFISA-N	2	2	384.564	3.980	1	30		GHEFLP
C[NH2+]Cc1cc(C#CCC[NH+]2CCOCC2)ccc1Oc1cccc(Cl)c1	ZINC000028825134	209179360	/nfs/dbraw/zinc/17/93/60/209179360.db2.gz	VAICHSCZMSGKPN-UHFFFAOYSA-N	2	2	384.907	3.926	1	30	in-vitro	GHEFLP
Cn1c2ccccc2n2c1c(C#N)c(=[NH+]CCCn1cc[nH+]c1)c1ccccc12	ZINC000013219100	221264180	/nfs/dbraw/zinc/26/41/80/221264180.db2.gz	YMIJYKRRKAVEFG-UHFFFAOYSA-O	2	2	381.463	3.641	1	30		GHEFLP
[NH2+]=C(NCCCc1c[nH]c[nH+]1)NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816106	560220576	/nfs/dbraw/zinc/22/05/76/560220576.db2.gz	ZOROCGHIPADEFK-IBGZPJMESA-N	2	2	396.926	3.517	1	30	in-vitro	GHEFLP
[NH2+]=C(NCCCc1c[nH+]c[nH]1)NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000013816106	560220577	/nfs/dbraw/zinc/22/05/77/560220577.db2.gz	ZOROCGHIPADEFK-IBGZPJMESA-N	2	2	396.926	3.517	1	30	in-vitro	GHEFLP
C=C(C)n1c2ccccc2n(Cc2[nH+]c3ccccc3n2CCC[NH+](C)C)c1=O	ZINC000028569967	212109372	/nfs/dbraw/zinc/10/93/72/212109372.db2.gz	BNCTUYYBHSDAGH-UHFFFAOYSA-N	2	2	389.503	3.643	1	30		GHEFLP