smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003872188	574412122	/nfs/dbraw/zinc/41/21/22/574412122.db2.gz	JXNRXNCCROJZFB-VXGBXAGGSA-N	0	3	337.380	-1.115	10	30	endogenous,in-vitro	EAEEHN
Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)c(C#CCN)c1	ZINC000037581737	685594215	/nfs/dbraw/zinc/59/42/15/685594215.db2.gz	APQJANWAUCAHDE-UHFFFAOYSA-N	0	3	331.419	-1.128	10	30		EAEEHN
NCC#Cc1cc(F)ccc1S(=O)(=O)NCCS(N)(=O)=O	ZINC000037581738	685593913	/nfs/dbraw/zinc/59/39/13/685593913.db2.gz	PRKLQTXDNMGCPW-UHFFFAOYSA-N	0	3	335.382	-1.297	10	30		EAEEHN
CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1C#CCN	ZINC000037581798	685594138	/nfs/dbraw/zinc/59/41/38/685594138.db2.gz	DRYQZOYHTKQZHS-UHFFFAOYSA-N	0	3	331.419	-1.176	10	30		EAEEHN
NCC#Cc1ccccc1S(=O)(=O)NCCCS(N)(=O)=O	ZINC000045091913	685073754	/nfs/dbraw/zinc/07/37/54/685073754.db2.gz	KHKXJTBJARHLGP-UHFFFAOYSA-N	0	3	331.419	-1.046	10	30		EAEEHN
CC(NCCNC(=O)c1nc(N)n[nH]1)=C1C(=O)NC(=O)SC1=O	ZINC000103263953	685101983	/nfs/dbraw/zinc/10/19/83/685101983.db2.gz	UWJLCQLCQGOZIF-PLNGDYQASA-N	0	3	339.337	-1.510	10	30		EAEEHN
NCC(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCS	ZINC000215035772	685149377	/nfs/dbraw/zinc/14/93/77/685149377.db2.gz	KBHBTSFEIDRPHL-SECBINFHSA-N	0	3	328.398	-2.442	10	30		EAEEHN
NCC(=O)NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCS	ZINC000215035772	685149374	/nfs/dbraw/zinc/14/93/74/685149374.db2.gz	KBHBTSFEIDRPHL-SECBINFHSA-N	0	3	328.398	-2.442	10	30		EAEEHN
NCC(=O)NCC(=O)N(CCS)[C@@H](Cc1cnc[nH]1)C(N)=O	ZINC000585669340	685155842	/nfs/dbraw/zinc/15/58/42/685155842.db2.gz	QKHZTLIMHMGTTE-VIFPVBQESA-N	0	3	328.398	-2.361	10	30		EAEEHN
NCC(=O)NCC(=O)N(CCS)[C@@H](Cc1c[nH]cn1)C(N)=O	ZINC000585669340	685155840	/nfs/dbraw/zinc/15/58/40/685155840.db2.gz	QKHZTLIMHMGTTE-VIFPVBQESA-N	0	3	328.398	-2.361	10	30		EAEEHN
C#CCn1ncc(N2CCNC[C@@H]2C(N)=O)c(Br)c1=O	ZINC000722107454	686443026	/nfs/dbraw/zinc/44/30/26/686443026.db2.gz	WLDOGFRUEADUBA-SECBINFHSA-N	0	3	340.181	-1.098	10	30		EAEEHN
C#CCn1ncc(N2CCNC[C@H]2C(N)=O)c(Br)c1=O	ZINC000722107587	686443092	/nfs/dbraw/zinc/44/30/92/686443092.db2.gz	WLDOGFRUEADUBA-VIFPVBQESA-N	0	3	340.181	-1.098	10	30		EAEEHN