smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](COC(=O)N=C=NC(=O)OCC)OC1=O	ZINC000101199180	562809954	/nfs/dbraw/zinc/80/99/54/562809954.db2.gz	GTOVAIFRHCWJNZ-OAQYLSRUSA-N	-1	0	508.612	6.241	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cc(F)cc3scnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217613973	562877615	/nfs/dbraw/zinc/87/76/15/562877615.db2.gz	DHTGICJLUKRUTH-UHFFFAOYSA-N	-1	0	546.045	5.013	1	70		KKIFRM
Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217631589	562877664	/nfs/dbraw/zinc/87/76/64/562877664.db2.gz	IUSWDTMURYUZPC-UHFFFAOYSA-N	-1	0	536.053	5.121	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3cccnc32)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1	ZINC000217633517	562877674	/nfs/dbraw/zinc/87/76/74/562877674.db2.gz	AJVYSGIELMWPEN-UHFFFAOYSA-N	-1	0	587.595	5.403	1	70		KKIFRM
O=C(c1cc(Cl)c2n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1O2)c1ccccc1[O-]	ZINC000653882866	562916851	/nfs/dbraw/zinc/91/68/51/562916851.db2.gz	NGNYKRIFQFLRGC-UHFFFAOYSA-N	-1	0	621.760	6.267	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c2ccccc12)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217634116	562877631	/nfs/dbraw/zinc/87/76/31/562877631.db2.gz	SRMNIIIDLJFFTM-UHFFFAOYSA-N	-1	0	572.086	5.966	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3scnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217624939	562877639	/nfs/dbraw/zinc/87/76/39/562877639.db2.gz	RHLGUWKUKCYLIF-UHFFFAOYSA-N	-1	0	546.045	5.013	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(OC(F)F)c1)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217762708	562877735	/nfs/dbraw/zinc/87/77/35/562877735.db2.gz	AFHUCXFHWDETHB-UHFFFAOYSA-N	-1	0	588.032	5.414	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1OC(F)F)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217626078	562877654	/nfs/dbraw/zinc/87/76/54/562877654.db2.gz	VMUCWWDHVOQUAX-UHFFFAOYSA-N	-1	0	588.032	5.414	1	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1OC(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217628150	562877635	/nfs/dbraw/zinc/87/76/35/562877635.db2.gz	BFSCUKOYZWXUEV-UHFFFAOYSA-N	-1	0	606.022	5.711	1	70		KKIFRM
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C	ZINC000161238746	562849141	/nfs/dbraw/zinc/84/91/41/562849141.db2.gz	FJAQNRBDVKIIKK-HFWHKAEWSA-N	-1	0	697.137	5.370	3	70		KKIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1	ZINC000217632716	562877656	/nfs/dbraw/zinc/87/76/56/562877656.db2.gz	UDBQLQGQDZZNDN-UHFFFAOYSA-N	-1	0	569.605	5.264	1	70		KKIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4scnc43)cc2OC(F)F)CC1	ZINC000217749811	562877722	/nfs/dbraw/zinc/87/77/22/562877722.db2.gz	HRGYHKREXOOFJA-UHFFFAOYSA-N	-1	0	575.606	5.101	1	70		KKIFRM
CCOC(=O)C(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000073316548	562738114	/nfs/dbraw/zinc/73/81/14/562738114.db2.gz	RSUCNDUUSGWZNV-UHFFFAOYSA-N	-1	0	572.597	5.964	1	70		KKIFRM