smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(OCc2ccc3c(c2)c(=O)c2ccccc2cc3-c2nn[nH]n2)c2cc(C(=O)[O-])ccc2n1	ZINC000013742166	561726207	/nfs/dbraw/zinc/72/62/07/561726207.db2.gz	XBDRFPZAQGCRSX-UHFFFAOYSA-N	-1	1	503.518	4.921	1	5		KJBFMM
O=[N+]([O-])c1cc(C(F)(F)F)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1NC[P@@](=O)([O-])O	ZINC000027879719	561888915	/nfs/dbraw/zinc/88/89/15/561888915.db2.gz	IVNYGPBBGKWOCJ-UHFFFAOYSA-N	-1	1	528.346	4.506	1	5		KJBFMM
Cc1nc2ccccc2c2ccc(C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc3ccc4c5ccccc5nc(C)c4c3)C(=O)[O-])cc12	ZINC000049853532	562688978	/nfs/dbraw/zinc/68/89/78/562688978.db2.gz	YVSPNCYMKQCPFX-DITALETJSA-N	-1	1	599.691	4.504	1	5		KJBFMM
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000095615278	562787205	/nfs/dbraw/zinc/78/72/05/562787205.db2.gz	CSHWCGNIXJHXMY-YLJLSDLWSA-N	-1	1	779.957	4.646	1	5		KJBFMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c5cccnc5c(Cl)cc4c3=O)cc2)c1	ZINC000103286831	562823857	/nfs/dbraw/zinc/82/38/57/562823857.db2.gz	SARGMUQDRNKSOQ-UHFFFAOYSA-N	-1	1	563.035	4.557	1	5		KJBFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	ZINC000103289533	562824050	/nfs/dbraw/zinc/82/40/50/562824050.db2.gz	JJXJVDXUBYKHQH-UHFFFAOYSA-N	-1	1	583.453	4.902	1	5		KJBFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	ZINC000103289535	562824044	/nfs/dbraw/zinc/82/40/44/562824044.db2.gz	AQTHMUGQFDAMMG-UHFFFAOYSA-N	-1	1	583.453	4.902	1	5		KJBFMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cn(CCO)c3c4cccnc4c(Cl)cc3c2=O)cc1	ZINC000103289602	562824034	/nfs/dbraw/zinc/82/40/34/562824034.db2.gz	QQKTXCFXDSDBOX-UHFFFAOYSA-N	-1	1	563.035	4.557	1	5		KJBFMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c5cccnc5c(Cl)cc4c3=O)cc2)c1	ZINC000103290559	562824130	/nfs/dbraw/zinc/82/41/30/562824130.db2.gz	OSZMLWAXOYZAOH-UHFFFAOYSA-N	-1	1	577.062	4.865	1	5		KJBFMM
NC[C@H](C(N)=O)N(C(=O)[C@H](CCc1ccccc1)C[P@@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000169331511	562859016	/nfs/dbraw/zinc/85/90/16/562859016.db2.gz	UERCGTJUVRFNRO-LFVIRUEMSA-N	-1	1	746.714	4.663	1	5		KJBFMM
COc1cc(-c2coc3c4c(cc(=O)c-3c2[O-])occ(-c2cc(OC)c(OC)c(OC)c2)c4=O)cc(OC)c1OC	ZINC000653895748	562917374	/nfs/dbraw/zinc/91/73/74/562917374.db2.gz	HFOKXCZXEIWCQE-UHFFFAOYSA-N	-1	1	562.527	4.991	1	5		KJBFMM
COc1ccc(-c2coc3cc4occ(-c5ccc(OC)c(OC)c5)c(=O)c4c(=O)c-3c2[O-])cc1OC	ZINC000653905273	562917557	/nfs/dbraw/zinc/91/75/57/562917557.db2.gz	WUAXVCKRZYKVOD-UHFFFAOYSA-N	-1	1	502.475	4.973	1	5		KJBFMM