smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(CCCCCNC(=O)c2c[n-]c3ccc(F)cc3c2=O)nc2ccccc21	ZINC000218213075	568476491	/nfs/dbraw/zinc/47/64/91/568476491.db2.gz	XUXQEOAJRFZUFE-UHFFFAOYSA-N	-1	3	406.461	4.109	50	70		HIIAHM
O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218237466	568836786	/nfs/dbraw/zinc/83/67/86/568836786.db2.gz	HPYJKKZMAWRGQY-UHFFFAOYSA-N	-1	3	417.292	4.371	50	70		HIIAHM
COc1cccc2c(=O)c(C(=O)NCCCc3nc4ccccc4n3C(C)C)c[n-]c12	ZINC000217982195	569039131	/nfs/dbraw/zinc/03/91/31/569039131.db2.gz	BBIYTKMANCVPKG-UHFFFAOYSA-N	-1	3	418.497	4.242	50	70		HIIAHM
Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2cc3ccccc3o2)c(Cl)cc1Cl	ZINC000217999247	568922411	/nfs/dbraw/zinc/92/24/11/568922411.db2.gz	VDWULJDXGBMHIP-SFHVURJKSA-N	-1	3	414.310	4.234	50	70		HIIAHM
O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218283629	568477461	/nfs/dbraw/zinc/47/74/61/568477461.db2.gz	PJJPJTZNUJIAOT-UHFFFAOYSA-N	-1	3	417.292	4.371	50	70		HIIAHM
COc1ccc2c(c1)c(C(=O)Nc1n[n-]c(-c3ccccc3OC)n1)cn2C(C)C	ZINC000218137888	568475599	/nfs/dbraw/zinc/47/55/99/568475599.db2.gz	OPGMWQOZCRAEFL-UHFFFAOYSA-N	-1	3	405.458	4.277	50	70		HIIAHM
O=S(=O)([N-]CCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1	ZINC000217882223	568917912	/nfs/dbraw/zinc/91/79/12/568917912.db2.gz	WRKKDCOLPZBVBT-UHFFFAOYSA-N	-1	3	413.977	4.182	50	70		HIIAHM
Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2cc3ccccc3o2)c(Cl)cc1Cl	ZINC000217999319	568922452	/nfs/dbraw/zinc/92/24/52/568922452.db2.gz	VDWULJDXGBMHIP-GOSISDBHSA-N	-1	3	414.310	4.234	50	70		HIIAHM