smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H](C)C(=O)[N-]OC(C)(C)C	161008496	573639611	/nfs/dbraw/zinc/63/96/11/573639611.db2.gz	AHQDQHIBWDUFRH-ZCFIWIBFSA-N	-1	0	175.228	0.868	10	70		ACIERM
Cc1n[n-]c(=NC#N)o1	159724917	344151178	/nfs/dbraw/zinc/15/11/78/344151178.db2.gz	XHRMXUMDYWHSLG-UHFFFAOYSA-N	-1	0	124.103	0.271	10	70		ACIERM
CCc1nn(-c2cccnc2)c(=O)[n-]1	217710487	344405235	/nfs/dbraw/zinc/40/52/35/344405235.db2.gz	SFTZYIMVQCUTFC-UHFFFAOYSA-N	-1	0	190.206	0.518	10	70		ACIERM
[O-]C(=Cc1cncs1)c1cn[nH]n1	159695733	344150349	/nfs/dbraw/zinc/15/03/49/344150349.db2.gz	VOJGTLDDDCSXPQ-UHFFFAOYSA-N	-1	0	194.219	0.687	10	70		ACIERM
Cc1cc(=O)n2nc(C3CC3)[n-]c2n1	160139259	344158708	/nfs/dbraw/zinc/15/87/08/344158708.db2.gz	FIXZQZPCJOHADM-UHFFFAOYSA-N	-1	0	190.206	0.603	10	70		ACIERM
Cc1occc1-c1noc(=O)[n-]1	160418312	344165237	/nfs/dbraw/zinc/16/52/37/344165237.db2.gz	OQRQHWINQSWLOP-UHFFFAOYSA-N	-1	0	166.136	0.931	10	70		ACIERM
Cc1occc1-c1noc(=NN)[n-]1	160436944	344165666	/nfs/dbraw/zinc/16/56/66/344165666.db2.gz	UQVSECUBZDUQSJ-UHFFFAOYSA-N	-1	0	180.167	0.924	10	70		ACIERM
Cc1occc1-c1n[nH]c(=O)[n-]1	160453000	344166441	/nfs/dbraw/zinc/16/64/41/344166441.db2.gz	YRWKYMMMXGDCOF-UHFFFAOYSA-N	-1	0	165.152	0.666	10	70		ACIERM
Cc1ccoc1-c1nc(=O)o[n-]1	161175963	344186031	/nfs/dbraw/zinc/18/60/31/344186031.db2.gz	OLAJETCJKTUEGM-UHFFFAOYSA-N	-1	0	166.136	0.931	10	70		ACIERM
Cc1ccoc1-c1noc(=NN)[n-]1	161270161	344188385	/nfs/dbraw/zinc/18/83/85/344188385.db2.gz	DKJRJZAWVHHJCC-UHFFFAOYSA-N	-1	0	180.167	0.924	10	70		ACIERM
CCN(C)C(=O)c1ccncc1[O-]	161323480	344189204	/nfs/dbraw/zinc/18/92/04/344189204.db2.gz	NPSDMGJWNLGBIU-UHFFFAOYSA-N	-1	0	180.207	0.879	10	70		ACIERM
O=c1cn[n-]c(N2CCCC2)c1	217759440	344405733	/nfs/dbraw/zinc/40/57/33/344405733.db2.gz	LNIYOXNGKOPKMI-UHFFFAOYSA-N	-1	0	165.196	0.370	10	70		ACIERM
Cc1ccoc1-c1n[nH]c(=O)[n-]1	161339096	351759158	/nfs/dbraw/zinc/75/91/58/351759158.db2.gz	GXTIULKSVMUAEB-UHFFFAOYSA-N	-1	0	165.152	0.666	10	70		ACIERM
CO[C@@H](C)C(=O)[N-]OC(C)(C)C	161008360	573638503	/nfs/dbraw/zinc/63/85/03/573638503.db2.gz	AHQDQHIBWDUFRH-LURJTMIESA-N	-1	0	175.228	0.868	10	70		ACIERM