smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	ZINC000832327297	603483046	/nfs/dbraw/zinc/48/30/46/603483046.db2.gz	XGCJSVFARVBYIR-NKWVEPMBSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1	ZINC000832327297	603483048	/nfs/dbraw/zinc/48/30/48/603483048.db2.gz	XGCJSVFARVBYIR-NKWVEPMBSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	ZINC000832327301	603483381	/nfs/dbraw/zinc/48/33/81/603483381.db2.gz	XGCJSVFARVBYIR-RQJHMYQMSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1	ZINC000832327301	603483384	/nfs/dbraw/zinc/48/33/84/603483384.db2.gz	XGCJSVFARVBYIR-RQJHMYQMSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])COc1ccc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)cc1	ZINC000833253358	601799845	/nfs/dbraw/zinc/79/98/45/601799845.db2.gz	DHPYSYRDAKPHSM-UHFFFAOYSA-N	-1	2	361.301	2.382	20	50		FEGDLM
O=C([O-])NC1CCC(C(=O)NNc2nc(C(F)(F)F)cs2)CC1	ZINC000832276490	603483245	/nfs/dbraw/zinc/48/32/45/603483245.db2.gz	BDJQHPHQTPIJJI-UHFFFAOYSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])NC1CCC(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)CC1	ZINC000832276490	603483246	/nfs/dbraw/zinc/48/32/46/603483246.db2.gz	BDJQHPHQTPIJJI-UHFFFAOYSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])c1cccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	ZINC000833765908	604673652	/nfs/dbraw/zinc/67/36/52/604673652.db2.gz	VTJIIONYSBJSJG-UHFFFAOYSA-N	-1	2	365.345	2.044	20	50		FEGDLM
O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	ZINC000832327295	603483391	/nfs/dbraw/zinc/48/33/91/603483391.db2.gz	XGCJSVFARVBYIR-BQBZGAKWSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1	ZINC000832327295	603483394	/nfs/dbraw/zinc/48/33/94/603483394.db2.gz	XGCJSVFARVBYIR-BQBZGAKWSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)o1	ZINC000832701950	602838015	/nfs/dbraw/zinc/83/80/15/602838015.db2.gz	IEECMEYEDAMBPR-UHFFFAOYSA-N	-1	2	372.164	2.429	20	50		FEGDLM
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1	ZINC000830329207	604032845	/nfs/dbraw/zinc/03/28/45/604032845.db2.gz	PAXUJCQWVDQGMM-UHFFFAOYSA-N	-1	2	366.374	2.126	20	50		FEGDLM
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2nc(C(F)(F)F)cs2)CC1	ZINC000834050169	605948698	/nfs/dbraw/zinc/94/86/98/605948698.db2.gz	WAMSYXXNOFRUGJ-ZETCQYMHSA-N	-1	2	364.349	2.385	20	50		FEGDLM
O=C([O-])N1CCC2(C[C@H]2C(=O)NN=c2[nH]c(C(F)(F)F)cs2)CC1	ZINC000834050169	605948701	/nfs/dbraw/zinc/94/87/01/605948701.db2.gz	WAMSYXXNOFRUGJ-ZETCQYMHSA-N	-1	2	364.349	2.385	20	50		FEGDLM
Cc1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1C	ZINC000830395508	604031349	/nfs/dbraw/zinc/03/13/49/604031349.db2.gz	GLSPTKRUVJYYGA-UHFFFAOYSA-N	-1	2	362.411	2.295	20	50		FEGDLM
O=C([O-])[C@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccccc1F	ZINC000833170608	600753199	/nfs/dbraw/zinc/75/31/99/600753199.db2.gz	ZGMYSXNKHYRSES-CYBMUJFWSA-N	-1	2	354.284	2.244	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)o1	ZINC000830225252	604438712	/nfs/dbraw/zinc/43/87/12/604438712.db2.gz	JGTCUWPRUSFLKJ-LLVKDONJSA-N	-1	2	360.370	2.061	20	50		FEGDLM
Cc1cccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1C	ZINC000830522592	603448949	/nfs/dbraw/zinc/44/89/49/603448949.db2.gz	SKFBLNXDKIRMRK-UHFFFAOYSA-N	-1	2	362.411	2.295	20	50		FEGDLM
O=C([O-])N[C@H](Cc1ccccc1)C(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC000834148608	605948651	/nfs/dbraw/zinc/94/86/51/605948651.db2.gz	AJNSGLGMMIZCCW-SECBINFHSA-N	-1	2	374.344	2.484	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)o1	ZINC000832702811	603236202	/nfs/dbraw/zinc/23/62/02/603236202.db2.gz	XJISLUBZKNBZOC-UHFFFAOYSA-N	-1	2	372.164	2.429	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)o1	ZINC000830225343	603834050	/nfs/dbraw/zinc/83/40/50/603834050.db2.gz	KXVNXNKXFXDELV-UHFFFAOYSA-N	-1	2	371.393	2.061	20	50		FEGDLM
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC000832757294	605948365	/nfs/dbraw/zinc/94/83/65/605948365.db2.gz	AJNSGLGMMIZCCW-VIFPVBQESA-N	-1	2	374.344	2.484	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)o1	ZINC000830225253	604438887	/nfs/dbraw/zinc/43/88/87/604438887.db2.gz	JGTCUWPRUSFLKJ-NSHDSACASA-N	-1	2	360.370	2.061	20	50		FEGDLM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000832846064	604270500	/nfs/dbraw/zinc/27/05/00/604270500.db2.gz	SCEZYDGXEMYHET-UHFFFAOYSA-N	-1	2	368.349	2.060	20	50		FEGDLM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2nc(C(F)(F)F)cs2)CC1	ZINC000834050168	605948805	/nfs/dbraw/zinc/94/88/05/605948805.db2.gz	WAMSYXXNOFRUGJ-SSDOTTSWSA-N	-1	2	364.349	2.385	20	50		FEGDLM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NN=c2[nH]c(C(F)(F)F)cs2)CC1	ZINC000834050168	605948807	/nfs/dbraw/zinc/94/88/07/605948807.db2.gz	WAMSYXXNOFRUGJ-SSDOTTSWSA-N	-1	2	364.349	2.385	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc32)o1	ZINC000832702711	603269380	/nfs/dbraw/zinc/26/93/80/603269380.db2.gz	VHXFSINVQNQAKB-UHFFFAOYSA-N	-1	2	367.361	2.204	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)o1	ZINC000830225236	603833865	/nfs/dbraw/zinc/83/38/65/603833865.db2.gz	IWCBLWKLKGEXOP-LBPRGKRZSA-N	-1	2	351.746	2.011	20	50		FEGDLM
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1	ZINC000823858723	603224665	/nfs/dbraw/zinc/22/46/65/603224665.db2.gz	AUVVWTCWLLIPSM-UHFFFAOYSA-N	-1	2	359.382	2.420	20	50		FEGDLM
O=C([O-])Nc1cc(C(=O)NNC(=O)c2ccccn2)cc(C(F)(F)F)c1	ZINC000833281268	601950781	/nfs/dbraw/zinc/95/07/81/601950781.db2.gz	IAYMKGMDXZJVFU-UHFFFAOYSA-N	-1	2	368.271	2.265	20	50		FEGDLM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)c1ccc(C)o1	ZINC000829188244	603797933	/nfs/dbraw/zinc/79/79/33/603797933.db2.gz	RYFKFJFDNZELHL-UHFFFAOYSA-N	-1	2	367.745	2.415	20	50		FEGDLM
O=C([O-])c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1F	ZINC000833149100	604807097	/nfs/dbraw/zinc/80/70/97/604807097.db2.gz	DZKNAIKLKISDRJ-UHFFFAOYSA-N	-1	2	369.308	2.254	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)NCCN(C(=O)[O-])C2CCCCCC2)o1	ZINC000830225291	604282691	/nfs/dbraw/zinc/28/26/91/604282691.db2.gz	JVGCCJAWGLDRQC-UHFFFAOYSA-N	-1	2	366.418	2.235	20	50		FEGDLM
O=C([O-])[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccc(F)cc1	ZINC000833169328	600753391	/nfs/dbraw/zinc/75/33/91/600753391.db2.gz	FQGANRAHSQSTKC-ZDUSSCGKSA-N	-1	2	354.284	2.244	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1	ZINC000832912154	604523691	/nfs/dbraw/zinc/52/36/91/604523691.db2.gz	WNHWWCOLEQSPRZ-AWEZNQCLSA-N	-1	2	359.382	2.384	20	50		FEGDLM
O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000833998935	605396098	/nfs/dbraw/zinc/39/60/98/605396098.db2.gz	VENRQRNELLNNJA-ZDUSSCGKSA-N	-1	2	372.381	2.025	20	50		FEGDLM
Cc1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)c(C)c1	ZINC000830395919	604031503	/nfs/dbraw/zinc/03/15/03/604031503.db2.gz	OHDHBLOCWPTMHA-UHFFFAOYSA-N	-1	2	362.411	2.295	20	50		FEGDLM
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1	ZINC000830273832	604031525	/nfs/dbraw/zinc/03/15/25/604031525.db2.gz	BJZZPVKMRQASAK-UHFFFAOYSA-N	-1	2	362.411	2.295	20	50		FEGDLM
O=C([O-])N1CCSC[C@H]1CC(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC000831414567	605328123	/nfs/dbraw/zinc/32/81/23/605328123.db2.gz	PUHUEYSVPBYNFX-ZCFIWIBFSA-N	-1	2	370.378	2.091	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)o1	ZINC000832702266	603487456	/nfs/dbraw/zinc/48/74/56/603487456.db2.gz	NYKOMSURAUKXEF-UHFFFAOYSA-N	-1	2	367.361	2.204	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)o1	ZINC000830225234	603833834	/nfs/dbraw/zinc/83/38/34/603833834.db2.gz	IWCBLWKLKGEXOP-GFCCVEGCSA-N	-1	2	351.746	2.011	20	50		FEGDLM
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1	ZINC000832912156	604523796	/nfs/dbraw/zinc/52/37/96/604523796.db2.gz	WNHWWCOLEQSPRZ-CQSZACIVSA-N	-1	2	359.382	2.384	20	50		FEGDLM
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	ZINC000832327298	603483510	/nfs/dbraw/zinc/48/35/10/603483510.db2.gz	XGCJSVFARVBYIR-RNFRBKRXSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1	ZINC000832327298	603483513	/nfs/dbraw/zinc/48/35/13/603483513.db2.gz	XGCJSVFARVBYIR-RNFRBKRXSA-N	-1	2	352.338	2.431	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1	ZINC000832701686	603224847	/nfs/dbraw/zinc/22/48/47/603224847.db2.gz	FCBPKIBOOQGVMI-UHFFFAOYSA-N	-1	2	361.398	2.025	20	50		FEGDLM
O=C([O-])NCc1nc(C(=O)NNc2nc(C(F)(F)F)cs2)cs1	ZINC000832734516	603483146	/nfs/dbraw/zinc/48/31/46/603483146.db2.gz	CZFKQGAIBRBNLS-UHFFFAOYSA-N	-1	2	367.334	2.143	20	50		FEGDLM
O=C([O-])NCc1nc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)cs1	ZINC000832734516	603483149	/nfs/dbraw/zinc/48/31/49/603483149.db2.gz	CZFKQGAIBRBNLS-UHFFFAOYSA-N	-1	2	367.334	2.143	20	50		FEGDLM
O=C([O-])[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccccc1F	ZINC000833170610	600753203	/nfs/dbraw/zinc/75/32/03/600753203.db2.gz	ZGMYSXNKHYRSES-ZDUSSCGKSA-N	-1	2	354.284	2.244	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)o1	ZINC000832702783	603483226	/nfs/dbraw/zinc/48/32/26/603483226.db2.gz	WNAXHDWPLCXTLJ-UHFFFAOYSA-N	-1	2	350.278	2.279	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)o1	ZINC000832702783	603483229	/nfs/dbraw/zinc/48/32/29/603483229.db2.gz	WNAXHDWPLCXTLJ-UHFFFAOYSA-N	-1	2	350.278	2.279	20	50		FEGDLM
O=C([O-])[C@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccc(F)cc1	ZINC000833169326	600753175	/nfs/dbraw/zinc/75/31/75/600753175.db2.gz	FQGANRAHSQSTKC-CYBMUJFWSA-N	-1	2	354.284	2.244	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)o1	ZINC000832702767	602872018	/nfs/dbraw/zinc/87/20/18/602872018.db2.gz	WAMIXFDQYHECSH-UHFFFAOYSA-N	-1	2	371.271	2.141	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)o1	ZINC000832701633	604032432	/nfs/dbraw/zinc/03/24/32/604032432.db2.gz	BKHFWFNZAVXBJB-UHFFFAOYSA-N	-1	2	368.802	2.332	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cccc3ccccc32)o1	ZINC000832701919	602988939	/nfs/dbraw/zinc/98/89/39/602988939.db2.gz	GEARWIAQKAPACK-UHFFFAOYSA-N	-1	2	353.334	2.275	20	50		FEGDLM
O=C([O-])N1CCSC[C@@H]1CC(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC000831414566	605327793	/nfs/dbraw/zinc/32/77/93/605327793.db2.gz	PUHUEYSVPBYNFX-LURJTMIESA-N	-1	2	370.378	2.091	20	50		FEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)o1	ZINC000832701960	603358729	/nfs/dbraw/zinc/35/87/29/603358729.db2.gz	INGTZWSCNGXTDU-UHFFFAOYSA-N	-1	2	353.334	2.275	20	50		FEGDLM
Cc1ccc(NC(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c(Cl)c1	ZINC000830390365	604033095	/nfs/dbraw/zinc/03/30/95/604033095.db2.gz	OASXCCLGYXAMES-UHFFFAOYSA-N	-1	2	366.761	2.476	20	50		FEGDLM
O=C([O-])NCC1(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)CCCC1	ZINC000832443140	603803765	/nfs/dbraw/zinc/80/37/65/603803765.db2.gz	QFIHWGTTZOPHBI-UHFFFAOYSA-N	-1	2	352.338	2.433	20	50		FEGDLM