smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)cc3nc21	ZINC000001493523	562920435	/nfs/dbraw/zinc/92/04/35/562920435.db2.gz	YYHFVZLNDMSUBV-UHFFFAOYSA-N	0	2	450.445	3.390	1	5		JGBFLN
C[C@@H]1COc2c(N3CC[N@H+](C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127249	563095498	/nfs/dbraw/zinc/09/54/98/563095498.db2.gz	IGAVOCQXAVBMFG-CZUORRHYSA-N	0	2	482.468	3.194	1	5		JGBFLN
C[C@@H]1COc2c(N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127249	563095499	/nfs/dbraw/zinc/09/54/99/563095499.db2.gz	IGAVOCQXAVBMFG-CZUORRHYSA-N	0	2	482.468	3.194	1	5		JGBFLN
C[C@H]1COc2c(N3CC[N@H+](C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000040791296	563148631	/nfs/dbraw/zinc/14/86/31/563148631.db2.gz	IGAVOCQXAVBMFG-BBRMVZONSA-N	0	2	482.468	3.194	1	5		JGBFLN
C[C@H]1COc2c(N3CC[N@@H+](C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000040791296	563148632	/nfs/dbraw/zinc/14/86/32/563148632.db2.gz	IGAVOCQXAVBMFG-BBRMVZONSA-N	0	2	482.468	3.194	1	5		JGBFLN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccn4c(=O)c5ccccc5nc34)cc2)no1	ZINC000001620847	562921679	/nfs/dbraw/zinc/92/16/79/562921679.db2.gz	PNMUUBGBJAWRAS-UHFFFAOYSA-N	0	2	475.486	3.197	1	5		JGBFLN
CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH+]c[nH]2)Cc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-]	ZINC000003919282	562929850	/nfs/dbraw/zinc/92/98/50/562929850.db2.gz	SMFRBSRYCWADEI-QFIPXVFZSA-N	0	2	497.577	3.456	1	5		JGBFLN
CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH]c[nH+]2)Cc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-]	ZINC000003919282	562929851	/nfs/dbraw/zinc/92/98/51/562929851.db2.gz	SMFRBSRYCWADEI-QFIPXVFZSA-N	0	2	497.577	3.456	1	5		JGBFLN
C[C@@H]1COc2c(N3CC[N@H+](C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000040791295	563148628	/nfs/dbraw/zinc/14/86/28/563148628.db2.gz	IGAVOCQXAVBMFG-CJNGLKHVSA-N	0	2	482.468	3.194	1	5		JGBFLN
C[C@@H]1COc2c(N3CC[N@@H+](C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000040791295	563148629	/nfs/dbraw/zinc/14/86/29/563148629.db2.gz	IGAVOCQXAVBMFG-CJNGLKHVSA-N	0	2	482.468	3.194	1	5		JGBFLN
Cn1cc(C(=O)[O-])c(=O)c2cc3cc(F)c(N4CC[NH+](Cc5ccc(F)cc5)CC4)cc3nc21	ZINC000028017301	563055128	/nfs/dbraw/zinc/05/51/28/563055128.db2.gz	NYFYHXIUSGTTHI-UHFFFAOYSA-N	0	2	464.472	3.385	1	5		JGBFLN
C[C@H]1COc2c(N3CC[N@H+](C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127250	563095527	/nfs/dbraw/zinc/09/55/27/563095527.db2.gz	IGAVOCQXAVBMFG-XJKSGUPXSA-N	0	2	482.468	3.194	1	5		JGBFLN
C[C@H]1COc2c(N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127250	563095529	/nfs/dbraw/zinc/09/55/29/563095529.db2.gz	IGAVOCQXAVBMFG-XJKSGUPXSA-N	0	2	482.468	3.194	1	5		JGBFLN
O=C(Nn1c(=O)c2[nH]nc(CCc3ccccc3)c2nc1-c1cccc([N+](=O)[O-])c1)c1cccnc1	ZINC000049034817	563198613	/nfs/dbraw/zinc/19/86/13/563198613.db2.gz	LAOOZQREUNXTOO-UHFFFAOYSA-N	0	2	481.472	3.259	1	5		JGBFLN
C[N@@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@@H]1c1ccccc1	ZINC000028867527	563083874	/nfs/dbraw/zinc/08/38/74/563083874.db2.gz	DQVRVXHDLWGNDQ-LJQANCHMSA-N	0	2	465.510	3.251	1	5		JGBFLN
C[N@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@@H]1c1ccccc1	ZINC000028867527	563083875	/nfs/dbraw/zinc/08/38/75/563083875.db2.gz	DQVRVXHDLWGNDQ-LJQANCHMSA-N	0	2	465.510	3.251	1	5		JGBFLN
C[N@@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H]1c1ccccc1	ZINC000040602123	563146861	/nfs/dbraw/zinc/14/68/61/563146861.db2.gz	DQVRVXHDLWGNDQ-IBGZPJMESA-N	0	2	465.510	3.251	1	5		JGBFLN
C[N@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H]1c1ccccc1	ZINC000040602123	563146862	/nfs/dbraw/zinc/14/68/62/563146862.db2.gz	DQVRVXHDLWGNDQ-IBGZPJMESA-N	0	2	465.510	3.251	1	5		JGBFLN