smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)[C@@](C)(C#Cc1ncnc2cc(OC)c(OC)cc12)Cc1ccccc1	ZINC000028951203	581095208	/nfs/dbraw/zinc/09/52/08/581095208.db2.gz	BBMKJPDKBXILOP-VWLOTQADSA-N	1	0	403.526	4.342	1	30		HIEFRO
Cc1sccc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047311	581091728	/nfs/dbraw/zinc/09/17/28/581091728.db2.gz	ZWRCMAAVANOLOT-UHFFFAOYSA-N	1	0	406.511	4.192	1	30		HIEFRO
Cc1ccsc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047430	581091450	/nfs/dbraw/zinc/09/14/50/581091450.db2.gz	BKGAAMAFOWYKJB-UHFFFAOYSA-N	1	0	406.511	4.192	1	30		HIEFRO
CCCCCC[C@@H]1[C@@H](CO)C[C@@H]2CC3=C(CCCCNC(N)=[NH2+])C(=O)C[C@@]31C2(C)C	ZINC000085549659	291262900	/nfs/dbraw/zinc/26/29/00/291262900.db2.gz	ZLBWHNGFTBPFDT-QNRRCFITSA-N	1	0	417.638	4.331	1	30	biogenic,in-vitro	HIEFRO
CCCCCCCCCCC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@H]1CC[NH+]=C(N)N1	ZINC000085510346	291262910	/nfs/dbraw/zinc/26/29/10/291262910.db2.gz	QTZSUYWAAZZZDE-LQXZYSQQSA-N	1	0	416.590	4.190	1	30	biogenic,in-vitro	HIEFRO
Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047436	581091244	/nfs/dbraw/zinc/09/12/44/581091244.db2.gz	GXQMEGDUUBFCFH-UHFFFAOYSA-N	1	0	400.482	4.131	1	30		HIEFRO
CC1(C)O[C@]23[C@@H]4CCC[C@@H]5Cc6ccc(O)cc6CC#C[C@H]2[C@H]([NH3+])[C@H]1C[C@@H]3CC[C@H]54	ZINC000085543221	291261903	/nfs/dbraw/zinc/26/19/03/291261903.db2.gz	PKKFLCOHQVSTSB-FSTXKJBXSA-N	1	0	405.582	4.448	1	30	biogenic,in-vitro	HIEFRO
CC[NH+](CC)[C@](C)(C#Cc1ncnc2cc(OC)c(OC)cc12)Cc1ccccc1	ZINC000028951202	581095232	/nfs/dbraw/zinc/09/52/32/581095232.db2.gz	BBMKJPDKBXILOP-RUZDIDTESA-N	1	0	403.526	4.342	1	30		HIEFRO
N#Cc1ccc(C2=CC[N@H+](CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1	ZINC000040934900	581100605	/nfs/dbraw/zinc/10/06/05/581100605.db2.gz	WBKKUQLZAHKOBT-UHFFFAOYSA-N	1	0	404.901	4.170	1	30		HIEFRO
CCCCCCCC(=O)c1ncc(CCCCS(=O)(=O)CCC[N+](C)(C)C)o1	ZINC000073219724	717134310	/nfs/dbraw/zinc/13/43/10/717134310.db2.gz	FZNMUHKYHIDOOP-UHFFFAOYSA-N	1	0	415.620	4.052	1	30		HIEFRO
O=C(C[n+]1cccc2cc(Cl)ccc21)c1ccc(I)cc1	ZINC000001667012	557279517	/nfs/dbraw/zinc/27/95/17/557279517.db2.gz	PSSDBYLVSIGGEM-UHFFFAOYSA-N	1	0	408.646	4.268	1	30		HIEFRO