smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N=NCc2ccc(O)c(C(=O)[O-])c2)nc(-c2ccccc2[O-])n1	ZINC000005362451	263340403	/nfs/dbraw/zinc/34/04/03/263340403.db2.gz	AFRMSHVGUJLQGY-KEBDBYFISA-N	-2	0	364.361	3.007	50	30		FGEARL
N#Cc1c(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])sc2c1CCCC2	ZINC000002317340	204034255	/nfs/dbraw/zinc/03/42/55/204034255.db2.gz	BJSDGAVWFDACRZ-UHFFFAOYSA-N	-2	0	370.386	3.147	50	30		FGEARL
CCCCCCCCCCNC(=S)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100730667	495066150	/nfs/dbraw/zinc/06/61/50/495066150.db2.gz	GLZYPYLDPBASKP-UHFFFAOYSA-N	-2	0	360.520	3.253	50	30		FGEARL
O=C([O-])c1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1	ZINC000013408147	494287107	/nfs/dbraw/zinc/28/71/07/494287107.db2.gz	OXDYFUIBXXCJRL-RGVLZGJSSA-N	-2	0	370.308	3.229	50	30		FGEARL
CCc1ccc2nc3[n-]c(NN=Cc4ccc(C(=O)[O-])cc4)nnc-3c2c1	ZINC000005029283	207074391	/nfs/dbraw/zinc/07/43/91/207074391.db2.gz	KGTSZGSMOFGZSI-KEBDBYFISA-N	-2	0	360.377	3.213	50	30		FGEARL
CC(=O)[N-]C([N-]c1ccc(F)c(F)c1F)(C(F)(F)F)C(F)(F)F	ZINC000003138054	493831417	/nfs/dbraw/zinc/83/14/17/493831417.db2.gz	IWOUUGZWRYHTRY-UHFFFAOYSA-N	-2	0	354.172	3.473	50	30		FGEARL
N#Cc1c(=O)[n-]c(SCc2cccc(C(=O)[O-])c2)nc1-c1ccccc1	ZINC000004226860	207007680	/nfs/dbraw/zinc/00/76/80/207007680.db2.gz	JBDVEYSPMQRWAN-UHFFFAOYSA-N	-2	0	363.398	3.299	50	30		FGEARL
N#Cc1c(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])sc2c1CCCC2	ZINC000004821987	207052917	/nfs/dbraw/zinc/05/29/17/207052917.db2.gz	CAWVTQZPAVLTOE-UHFFFAOYSA-N	-2	0	370.386	3.147	50	30		FGEARL
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1C(=O)[O-]	ZINC000006007493	207124764	/nfs/dbraw/zinc/12/47/64/207124764.db2.gz	HGTGDYZXWQXNSK-VCHYOVAHSA-N	-2	0	354.391	3.197	50	30		FGEARL
O=C(C=C([O-])c1cccc(C([O-])=CC(=O)C(F)(F)F)n1)C(F)(F)F	ZINC000107622797	570897720	/nfs/dbraw/zinc/89/77/20/570897720.db2.gz	OFDLKYCBLMDYCH-GGXLTUIBSA-N	-2	0	355.190	3.455	50	30		FGEARL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2OCC(=O)[O-])c1	ZINC000006055719	493949551	/nfs/dbraw/zinc/94/95/51/493949551.db2.gz	JRWWGCDRMWVQHQ-VXLYETTFSA-N	-2	0	368.418	3.262	50	30		FGEARL
N#Cc1c(=O)[n-]c(SCc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1	ZINC000004226863	210516427	/nfs/dbraw/zinc/51/64/27/210516427.db2.gz	DALBJAQPFUGPCJ-UHFFFAOYSA-N	-2	0	363.398	3.299	50	30		FGEARL
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000004655942	493885519	/nfs/dbraw/zinc/88/55/19/493885519.db2.gz	AXFNQPJQJXSHGO-REZTVBANSA-N	-2	0	365.729	3.107	50	30		FGEARL
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(C(=O)[O-])cc1	ZINC000006007489	204234049	/nfs/dbraw/zinc/23/40/49/204234049.db2.gz	IHRSESNETUPDHB-VCHYOVAHSA-N	-2	0	354.391	3.197	50	30		FGEARL
O=c1[n-][nH]c(=O)c2cccc(N=Cc3cc(Cl)cc(Cl)c3[O-])c12	ZINC000000705233	493769667	/nfs/dbraw/zinc/76/96/67/493769667.db2.gz	NVVGACJMLPPTKE-NGYBGAFCSA-N	-2	0	350.161	3.392	50	30		FGEARL
O=C(C=C([O-])c1cccc(C([O-])=CC(=O)C(F)(F)F)n1)C(F)(F)F	ZINC000342786789	497883261	/nfs/dbraw/zinc/88/32/61/497883261.db2.gz	OFDLKYCBLMDYCH-ZVSIBQGLSA-N	-2	0	355.190	3.455	50	30		FGEARL
O=C([O-])C(=O)C(N=Nc1ccc(Cl)cc1)=C([O-])c1ccc(Cl)cc1	ZINC000023279815	210158767	/nfs/dbraw/zinc/15/87/67/210158767.db2.gz	PPQUZLYRVSWLKL-DEDYPNTBSA-N	-2	0	365.172	3.298	50	30		FGEARL
O=C(C=C([O-])c1cccc(C([O-])=CC(=O)C(F)(F)F)n1)C(F)(F)F	ZINC000342786777	497883748	/nfs/dbraw/zinc/88/37/48/497883748.db2.gz	OFDLKYCBLMDYCH-WIZYTBDYSA-N	-2	0	355.190	3.455	50	30		FGEARL
O=C([O-])c1cc2ccccc2c(C=NNc2ccccc2C(=O)[O-])c1O	ZINC000016121575	220178157	/nfs/dbraw/zinc/17/81/57/220178157.db2.gz	GMYNDHZNKNQKQH-JMIUGGIZSA-N	-2	0	350.330	3.388	50	30		FGEARL