smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])sc2[n-]c(C(Cl)=Cc3cccc(C)c3)nc(=O)c12	ZINC000009112772	204354310	/nfs/dbraw/zinc/35/43/10/204354310.db2.gz	VZFSNJFLCCKWDU-XFFZJAGNSA-N	-2	3	360.822	4.037	50	0		FIAAHL
CCc1ccc(-c2[nH]nc3nc(-c4ccccc4[O-])cc(C(=O)[O-])c32)cc1	ZINC000020492351	570918589	/nfs/dbraw/zinc/91/85/89/570918589.db2.gz	RKTBNWBEQAUZHU-UHFFFAOYSA-N	-2	3	359.385	4.258	50	0		FIAAHL
CC(C)C(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000005293714	204201964	/nfs/dbraw/zinc/20/19/64/204201964.db2.gz	XMZSOVGWRSJREA-UHFFFAOYSA-N	-2	3	362.701	4.345	50	0		FIAAHL
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])cc1	ZINC000072301039	571054526	/nfs/dbraw/zinc/05/45/26/571054526.db2.gz	BOJJAAFFHXCVPP-CMDGGOBGSA-N	-2	3	357.353	4.132	50	0		FIAAHL
CC(C)(C)OC(=O)N=c1[n-]cc(Sc2cccc(C(=O)[O-])c2)s1	ZINC000149767535	571309385	/nfs/dbraw/zinc/30/93/85/571309385.db2.gz	DDVGQFOLABFOCD-UHFFFAOYSA-N	-2	3	352.437	4.340	50	0		FIAAHL
O=S(=O)([N-]c1cccc([O-])c1F)c1cc(C(F)(F)F)ccc1Cl	ZINC000095445380	209051211	/nfs/dbraw/zinc/05/12/11/209051211.db2.gz	YRBFSWCESILWBI-UHFFFAOYSA-N	-2	3	369.723	4.004	50	0		FIAAHL
O=C([O-])Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)c([O-])c(=O)c2c1	ZINC000004528974	207025483	/nfs/dbraw/zinc/02/54/83/207025483.db2.gz	YHOZDLYYCYXKEK-UHFFFAOYSA-N	-2	3	365.168	4.100	50	0		FIAAHL
O=C([N-]n1cn[n-]c1=S)c1ccc(-c2cccc3ccccc32)s1	ZINC000009515439	571111884	/nfs/dbraw/zinc/11/18/84/571111884.db2.gz	IDFDFNUZXATJDE-UHFFFAOYSA-N	-2	3	352.444	4.206	50	0		FIAAHL
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1C	ZINC000000950291	570465960	/nfs/dbraw/zinc/46/59/60/570465960.db2.gz	OGLNQJYJSZKXKP-UHFFFAOYSA-N	-2	3	361.463	4.100	50	0		FIAAHL
O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c(Br)c3)oc2c1	ZINC000439282471	1123029645	/nfs/dbraw/zinc/02/96/45/1123029645.db2.gz	VQLGTSNOEXFHNB-KXFIGUGUSA-N	-2	3	360.163	4.165	50	0		FIAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	ZINC000013059520	570972166	/nfs/dbraw/zinc/97/21/66/570972166.db2.gz	RZMSFPRPJXLGNF-UHFFFAOYSA-N	-2	3	359.447	4.233	50	0		FIAAHL
CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-]	ZINC000328595935	571323714	/nfs/dbraw/zinc/32/37/14/571323714.db2.gz	KZCMHIWAWMVCRA-UHFFFAOYSA-N	-2	3	359.369	4.335	50	0		FIAAHL
O=C([O-])c1cc(-c2ccccc2[O-])nc2n[nH]c(-c3ccc(Cl)cc3)c21	ZINC000006733043	207158994	/nfs/dbraw/zinc/15/89/94/207158994.db2.gz	GVZWCVFBDVUSFW-UHFFFAOYSA-N	-2	3	365.776	4.349	50	0		FIAAHL
O=C([O-])c1cccc(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)c1	ZINC000054751838	571289767	/nfs/dbraw/zinc/28/97/67/571289767.db2.gz	NGURTHVTQYZKTD-UHFFFAOYSA-N	-2	3	368.439	4.002	50	0		FIAAHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])cc1	ZINC000096035240	210237311	/nfs/dbraw/zinc/23/73/11/210237311.db2.gz	BOJJAAFFHXCVPP-HJWRWDBZSA-N	-2	3	357.353	4.132	50	0		FIAAHL
[O-]c1ccc(Br)cc1-c1n[n-]c(=S)n1Cc1ccccc1	ZINC000013124881	211024228	/nfs/dbraw/zinc/02/42/28/211024228.db2.gz	VCPDKEGUUWNTQU-UHFFFAOYSA-N	-2	3	362.252	4.124	50	0		FIAAHL
CCCC(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000005950935	571169273	/nfs/dbraw/zinc/16/92/73/571169273.db2.gz	WFXAYMUCNDIQIH-UHFFFAOYSA-N	-2	3	362.701	4.489	50	0		FIAAHL
O=c1[n-]c(-c2cc(Br)ccc2[O-])nc2c1Cc1ccccc1O2	ZINC000006748416	571244760	/nfs/dbraw/zinc/24/47/60/571244760.db2.gz	YSRPGBQEFQZQSC-UHFFFAOYSA-N	-2	3	371.190	4.014	50	0		FIAAHL
CCOc1cccc2c1Oc1nc(-c3cc(Cl)ccc3[O-])[n-]c(=O)c1C2	ZINC000004169845	571356352	/nfs/dbraw/zinc/35/63/52/571356352.db2.gz	KTTLGJKBBCKQAQ-UHFFFAOYSA-N	-2	3	370.792	4.303	50	0		FIAAHL
CC1=Nc2c(c(=O)[n-]n2C2CCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071285609	221339588	/nfs/dbraw/zinc/33/95/88/221339588.db2.gz	KUJHIQCSMKNAKM-OAHLLOKOSA-N	-2	3	357.435	4.288	50	0		FIAAHL
O=c1oc2cc([O-])ccc2cc1-c1nnc([N-]c2ccccc2Cl)s1	ZINC000002956018	570677288	/nfs/dbraw/zinc/67/72/88/570677288.db2.gz	MYQIYAJRCQFHDW-UHFFFAOYSA-N	-2	3	371.805	4.414	50	0		FIAAHL
O=C([O-])c1ccc(CSc2nnc([N-]c3ccccc3F)s2)cc1	ZINC000008848150	571063239	/nfs/dbraw/zinc/06/32/39/571063239.db2.gz	MKUJYPYQOLPFNO-UHFFFAOYSA-N	-2	3	361.423	4.411	50	0		FIAAHL