smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NC([N-]c1ccc(F)c(F)c1F)(C(F)(F)F)C(F)(F)F	ZINC000003138054	493831423	/nfs/dbraw/zinc/83/14/23/493831423.db2.gz	IWOUUGZWRYHTRY-UHFFFAOYSA-N	-1	2	354.172	3.473	50	30		FGEALM
N#Cc1c(=O)[nH]c(SCc2cccc(C(=O)[O-])c2)nc1-c1ccccc1	ZINC000004226860	207007685	/nfs/dbraw/zinc/00/76/85/207007685.db2.gz	JBDVEYSPMQRWAN-UHFFFAOYSA-N	-1	2	363.398	3.299	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1F	ZINC000020079641	211266655	/nfs/dbraw/zinc/26/66/55/211266655.db2.gz	MSALCNRHONXYEG-MRXNPFEDSA-N	-1	2	355.321	3.013	50	30		FGEALM
N#Cc1c(=O)[nH]c(SCc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1	ZINC000004226863	210516432	/nfs/dbraw/zinc/51/64/32/210516432.db2.gz	DALBJAQPFUGPCJ-UHFFFAOYSA-N	-1	2	363.398	3.299	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1F	ZINC000001253539	219392151	/nfs/dbraw/zinc/39/21/51/219392151.db2.gz	PPKIYTKGLYAIHY-MRXNPFEDSA-N	-1	2	355.321	3.013	50	30		FGEALM
CCOC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102432514	570832264	/nfs/dbraw/zinc/83/22/64/570832264.db2.gz	UGBCFZNREJEMEA-URTGMZOISA-N	-1	2	368.345	3.058	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1F	ZINC000001253538	493791789	/nfs/dbraw/zinc/79/17/89/493791789.db2.gz	PPKIYTKGLYAIHY-INIZCTEOSA-N	-1	2	355.321	3.013	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)cc1	ZINC000001251295	493791898	/nfs/dbraw/zinc/79/18/98/493791898.db2.gz	IXTBKUNAHGWVSC-MRXNPFEDSA-N	-1	2	355.321	3.013	50	30		FGEALM
O=c1[n-][nH]c(=O)c2cccc(N=Cc3cc(Cl)cc(Cl)c3O)c12	ZINC000000705233	493769679	/nfs/dbraw/zinc/76/96/79/493769679.db2.gz	NVVGACJMLPPTKE-NGYBGAFCSA-N	-1	2	350.161	3.392	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(F)cc1	ZINC000001251294	493791200	/nfs/dbraw/zinc/79/12/00/493791200.db2.gz	IXTBKUNAHGWVSC-INIZCTEOSA-N	-1	2	355.321	3.013	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(F)cc1	ZINC000001220372	493790342	/nfs/dbraw/zinc/79/03/42/493790342.db2.gz	RBKPDGDCISCQOV-INIZCTEOSA-N	-1	2	355.321	3.013	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1F	ZINC000020079645	211266743	/nfs/dbraw/zinc/26/67/43/211266743.db2.gz	MSALCNRHONXYEG-INIZCTEOSA-N	-1	2	355.321	3.013	50	30		FGEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(F)cc1	ZINC000001220373	493790612	/nfs/dbraw/zinc/79/06/12/493790612.db2.gz	RBKPDGDCISCQOV-MRXNPFEDSA-N	-1	2	355.321	3.013	50	30		FGEALM