smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2ccc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000002014077	561680519	/nfs/dbraw/zinc/68/05/19/561680519.db2.gz	SVDMCNNCRPTKSP-FQEVSTJZSA-N	-3	1	538.538	2.233	1	5		KEBFML
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000026822441	561821391	/nfs/dbraw/zinc/82/13/91/561821391.db2.gz	SAJSMJSGTQPZFL-SFHVURJKSA-N	-2	1	537.533	2.439	1	5		KEBFML
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000026822446	561821317	/nfs/dbraw/zinc/82/13/17/561821317.db2.gz	SAJSMJSGTQPZFL-GOSISDBHSA-N	-2	1	537.533	2.439	1	5		KEBFML
Nc1nc2ccc3cc(S(=O)(=O)Nc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)c(Br)cc3c2c(=O)[nH]1	ZINC000027096198	561837947	/nfs/dbraw/zinc/83/79/47/561837947.db2.gz	RPAOGNAEBITRNO-KRWDZBQOSA-N	-2	1	618.422	2.270	1	5		KEBFML
Cc1nc2ccc3c(cccc3S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1	ZINC000027101958	561838962	/nfs/dbraw/zinc/83/89/62/561838962.db2.gz	DRCAJGUBGOLYTB-IBGZPJMESA-N	-2	1	538.538	2.233	1	5		KEBFML
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053084550	562696213	/nfs/dbraw/zinc/69/62/13/562696213.db2.gz	ZVUINDMVCSKLDD-INIZCTEOSA-N	-2	1	602.536	2.259	1	5		KEBFML
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053084554	562696199	/nfs/dbraw/zinc/69/61/99/562696199.db2.gz	ZVUINDMVCSKLDD-MRXNPFEDSA-N	-2	1	602.536	2.259	1	5		KEBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053084708	562696176	/nfs/dbraw/zinc/69/61/76/562696176.db2.gz	YDDIJPAMHSCZLA-KRWDZBQOSA-N	-2	1	561.502	2.100	1	5		KEBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053084711	562696179	/nfs/dbraw/zinc/69/61/79/562696179.db2.gz	YDDIJPAMHSCZLA-QGZVFWFLSA-N	-2	1	561.502	2.100	1	5		KEBFML
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053093618	562696245	/nfs/dbraw/zinc/69/62/45/562696245.db2.gz	FFEXMDINYPKTPQ-SFHVURJKSA-N	-2	1	575.529	2.490	1	5		KEBFML
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000053093619	562696263	/nfs/dbraw/zinc/69/62/63/562696263.db2.gz	FFEXMDINYPKTPQ-GOSISDBHSA-N	-2	1	575.529	2.490	1	5		KEBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1	ZINC000053093620	562696242	/nfs/dbraw/zinc/69/62/42/562696242.db2.gz	NBPBWGXYOFEOIN-HNNXBMFYSA-N	-2	1	561.502	2.100	1	5		KEBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1	ZINC000053093621	562696251	/nfs/dbraw/zinc/69/62/51/562696251.db2.gz	NBPBWGXYOFEOIN-OAHLLOKOSA-N	-2	1	561.502	2.100	1	5		KEBFML
O=c1c2cccc([O-])c2c(=O)c2c1c1c(=O)c3c([O-])cccc3c(=O)c1c1c(=O)c3c(O)cccc3c(=O)c21	ZINC000085974153	571792896	/nfs/dbraw/zinc/79/28/96/571792896.db2.gz	DNGCQXLPUZWYNB-UHFFFAOYSA-N	-2	1	516.417	2.197	1	5	endogenous,in-man	KEBFML
COc1ccc2oc3c(O)c4c(c(O)c3c(=O)c2c1O)-c1c([O-])c(C(=O)N[C@@](C)(CO)C(=O)[O-])c(CC(C)=O)cc1CC4	ZINC000473112283	562898655	/nfs/dbraw/zinc/89/86/55/562898655.db2.gz	CIRUKWHIGGSERO-PMERELPUSA-N	-4	1	593.541	2.240	1	5		KEBFML