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)Nc1c2ccccc2c2c3c1cccc3C(O)=C(CC[NH+](C)C)C2=O	ZINC000049932133	205177055	/nfs/dbraw/zinc/17/70/55/205177055.db2.gz	ZXXHVPGSHYJQCC-GOSISDBHSA-N	1	2	374.440	3.898	1	5		FHBFLO
Cc1cccc2c(NC(=S)NC[C@H]3CCCO3)c3ccccc3[nH+]c12	ZINC000045287976	205118559	/nfs/dbraw/zinc/11/85/59/205118559.db2.gz	BDEJUPNVDACVBV-CQSZACIVSA-N	1	2	351.475	3.584	1	5		FHBFLO
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2cc[nH+]c2)c(F)c1	ZINC000066077116	205362264	/nfs/dbraw/zinc/36/22/64/205362264.db2.gz	MHPKAHJZKZUWIJ-OALUTQOASA-N	1	2	353.353	3.914	1	5		FHBFLO
O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@H]2n2cc[nH+]c2)c(F)c1	ZINC000040393362	208251028	/nfs/dbraw/zinc/25/10/28/208251028.db2.gz	SMWAWEDWJSOCAH-HZPDHXFCSA-N	1	2	371.372	3.541	1	5		FHBFLO
O=c1c2ccccc2sc2ccc(NCCC[NH+]3CCOCC3)cc21	ZINC000012476970	207383665	/nfs/dbraw/zinc/38/36/65/207383665.db2.gz	DKJYJIVDXWYERO-UHFFFAOYSA-N	1	2	354.475	3.549	3	5		FHBFLO
Cc1cccc2c(NC(=S)NC[C@@H]3CCCO3)c3ccccc3[nH+]c12	ZINC000045287974	208330417	/nfs/dbraw/zinc/33/04/17/208330417.db2.gz	BDEJUPNVDACVBV-AWEZNQCLSA-N	1	2	351.475	3.584	1	5		FHBFLO
C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000169296495	209374774	/nfs/dbraw/zinc/37/47/74/209374774.db2.gz	IVZWWWWEWLNVOI-VVDPLQPHSA-N	1	2	369.377	3.730	1	5		FHBFLO
C[C@H]1C(=O)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151700	211026110	/nfs/dbraw/zinc/02/61/10/211026110.db2.gz	IVZWWWWEWLNVOI-GWIYSAMLSA-N	1	2	369.377	3.730	1	5		FHBFLO
O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@@H]2n2cc[nH+]c2)c(F)c1	ZINC000101546067	222277852	/nfs/dbraw/zinc/27/78/52/222277852.db2.gz	SMWAWEDWJSOCAH-BYICEURKSA-N	1	2	371.372	3.541	1	5		FHBFLO
O=[N+]([O-])c1ccc(OC2[C@H](n3cc[nH+]c3)CCC[C@@H]2n2ccnc2)c(F)c1	ZINC000101546067	222277854	/nfs/dbraw/zinc/27/78/54/222277854.db2.gz	SMWAWEDWJSOCAH-BYICEURKSA-N	1	2	371.372	3.541	1	5		FHBFLO
C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151698	220059381	/nfs/dbraw/zinc/05/93/81/220059381.db2.gz	IVZWWWWEWLNVOI-RHMWETHNSA-N	1	2	369.377	3.730	1	5		FHBFLO
COc1ccc2c(C[N@@H+]3CCCC(=O)C3)cc3cc4c(cc3c2c1)OCO4	ZINC000043059188	211786940	/nfs/dbraw/zinc/78/69/40/211786940.db2.gz	DAJYJDAMZUMHJA-UHFFFAOYSA-N	1	2	363.413	3.895	1	5		FHBFLO
COc1ccc2c(C[N@H+]3CCCC(=O)C3)cc3cc4c(cc3c2c1)OCO4	ZINC000043059188	211786944	/nfs/dbraw/zinc/78/69/44/211786944.db2.gz	DAJYJDAMZUMHJA-UHFFFAOYSA-N	1	2	363.413	3.895	1	5		FHBFLO
Nc1[nH+]c(Nc2ccc([N+](=O)[O-])cc2)ccc1C(=O)c1c(F)cccc1F	ZINC000014945644	211104491	/nfs/dbraw/zinc/10/44/91/211104491.db2.gz	ODDFLNIDCVCSCG-UHFFFAOYSA-N	1	2	370.315	3.825	1	5		FHBFLO
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=[NH+]CCN2)cc1	ZINC000001629437	219414059	/nfs/dbraw/zinc/41/40/59/219414059.db2.gz	BCPJIAQBIBDMDY-UHFFFAOYSA-N	1	2	368.780	3.920	1	5		FHBFLO
O=c1c2ccccc2oc2c(Cn3cc[nH+]c3)ccc(Br)c12	ZINC000013861990	220098099	/nfs/dbraw/zinc/09/80/99/220098099.db2.gz	DPCAMTPMSZHJLT-UHFFFAOYSA-N	1	2	355.191	3.954	1	5	in-vivo	FHBFLO
Cc1cc2oc3ccc(NCCC[NH+]4CCOCC4)cc3c(=O)c2cc1C	ZINC000012476725	220000363	/nfs/dbraw/zinc/00/03/63/220000363.db2.gz	CLZUTGAUGWLKKS-UHFFFAOYSA-N	1	2	366.461	3.697	3	5		FHBFLO
CC(=O)Nc1c2ccccc2c2c3c1cccc3C(O)=C(CC[NH+](C)C)C2=O	ZINC000049932132	221029302	/nfs/dbraw/zinc/02/93/02/221029302.db2.gz	ZXXHVPGSHYJQCC-SFHVURJKSA-N	1	2	374.440	3.898	1	5		FHBFLO