smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2nnc(NC(=O)Cn3cnc4c(cnn4C)c3=O)[n-]2)o1	ZINC000160358573	488791192	/nfs/dbraw/zinc/79/11/92/488791192.db2.gz	RVDYDKHXAGBRMX-UHFFFAOYSA-N	-1	3	354.330	0.455	10	70		FCIEHM
Cc1ccc(-c2n[n-]c(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)o1	ZINC000160358573	488791195	/nfs/dbraw/zinc/79/11/95/488791195.db2.gz	RVDYDKHXAGBRMX-UHFFFAOYSA-N	-1	3	354.330	0.455	10	70		FCIEHM
Cc1ccc(-c2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n[n-]2)o1	ZINC000160358573	488791198	/nfs/dbraw/zinc/79/11/98/488791198.db2.gz	RVDYDKHXAGBRMX-UHFFFAOYSA-N	-1	3	354.330	0.455	10	70		FCIEHM
O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCN(c2cc(F)ccc2F)CC1	ZINC000160107543	488789540	/nfs/dbraw/zinc/78/95/40/488789540.db2.gz	WHQLLOFAZSWSFU-UHFFFAOYSA-N	-1	3	364.352	0.602	10	70		FCIEHM
Cc1ccn(-c2ccccc2NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)n1	ZINC000161250946	208835424	/nfs/dbraw/zinc/83/54/24/208835424.db2.gz	SOUOADZYIVESBG-UHFFFAOYSA-N	-1	3	374.426	0.831	10	70		FCIEHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC3(CO)CC3)cc(C(C)C)nc21	ZINC000160353330	488791255	/nfs/dbraw/zinc/79/12/55/488791255.db2.gz	JLJVZOWZKMVNCP-UHFFFAOYSA-N	-1	3	360.414	0.873	10	70		FCIEHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC3(CO)CC3)cc(C3CC3)nc21	ZINC000160412043	488791614	/nfs/dbraw/zinc/79/16/14/488791614.db2.gz	UYDONDZRZVMQPV-UHFFFAOYSA-N	-1	3	358.398	0.627	10	70		FCIEHM
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[nH]n1	ZINC000161119353	488795281	/nfs/dbraw/zinc/79/52/81/488795281.db2.gz	YUENPYDNNUHGRM-KCJUWKMLSA-N	-1	3	369.447	0.737	10	70		FCIEHM
Cc1cc(C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)[nH]n1	ZINC000161415421	488796771	/nfs/dbraw/zinc/79/67/71/488796771.db2.gz	RYEAYCCTHUPBBH-JTQLQIEISA-N	-1	3	368.463	0.176	10	70		FCIEHM
Cc1cccc2[nH]c(CNC(=O)C[N-]S(=O)(=O)c3cn(C)cn3)nc21	ZINC000160395792	488791047	/nfs/dbraw/zinc/79/10/47/488791047.db2.gz	SKKMUKSXCRHUKC-UHFFFAOYSA-N	-1	3	362.415	0.200	10	70		FCIEHM
CCc1ccc(N2CCN(C(=O)C3CC4(C3)NC(=O)[N-]C4=O)CC2)cc1	ZINC000159806694	488787316	/nfs/dbraw/zinc/78/73/16/488787316.db2.gz	CEMATSLVKCCEOT-UHFFFAOYSA-N	-1	3	356.426	0.886	10	70		FCIEHM
O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC1(CO)CC1	ZINC000160455403	488791632	/nfs/dbraw/zinc/79/16/32/488791632.db2.gz	DDZXTFSCXRTRHK-UHFFFAOYSA-N	-1	3	369.262	0.430	10	70		FCIEHM
Cc1cc(C[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[nH]n1	ZINC000161119497	488795287	/nfs/dbraw/zinc/79/52/87/488795287.db2.gz	YUENPYDNNUHGRM-KWQFWETISA-N	-1	3	369.447	0.737	10	70		FCIEHM
Cc1ccc(C)c(N2CCN(C(=O)C3CC4(C3)NC(=O)[N-]C4=O)CC2)c1	ZINC000160949726	488794033	/nfs/dbraw/zinc/79/40/33/488794033.db2.gz	TZHPTVFCYIOQBS-UHFFFAOYSA-N	-1	3	356.426	0.940	10	70		FCIEHM
CCc1cc(=O)[n-]c(CN2CCN(c3cc(C)nc4ncnn43)CC2)n1	ZINC000160781520	488793800	/nfs/dbraw/zinc/79/38/00/488793800.db2.gz	MFLQXRLMRJAJJU-UHFFFAOYSA-N	-1	3	354.418	0.813	10	70		FCIEHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160691744	534666057	/nfs/dbraw/zinc/66/60/57/534666057.db2.gz	SWTMGYASKOYKKP-ZDUSSCGKSA-N	-1	3	373.457	0.716	10	70		FCIEHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NC3(CO)CC3)cc(C3CC3)nc21	ZINC000160412371	488791730	/nfs/dbraw/zinc/79/17/30/488791730.db2.gz	PDDSHOGPACBNFX-UHFFFAOYSA-N	-1	3	372.425	0.873	10	70		FCIEHM
Cc1cc(C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)[nH]n1	ZINC000161415298	488796906	/nfs/dbraw/zinc/79/69/06/488796906.db2.gz	RYEAYCCTHUPBBH-SNVBAGLBSA-N	-1	3	368.463	0.176	10	70		FCIEHM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000159998009	488788762	/nfs/dbraw/zinc/78/87/62/488788762.db2.gz	AXVVVSASKSLTEU-BETUJISGSA-N	-1	3	354.414	0.431	10	70		FCIEHM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000159911352	488787803	/nfs/dbraw/zinc/78/78/03/488787803.db2.gz	LOTKOYCVAHOFGA-ZDUSSCGKSA-N	-1	3	350.463	0.952	10	70		FCIEHM