smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCO[C@H]1O[C@@H](CS(=O)(=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005882538	568965971	/nfs/dbraw/zinc/96/59/71/568965971.db2.gz	HCZLEHRZDJJULM-JARUQAPTSA-N	-1	0	410.397	-0.403	40	30		HBEBRM
C=CCO[C@H]1O[C@@H](CS(=O)(=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005882540	568965933	/nfs/dbraw/zinc/96/59/33/568965933.db2.gz	HCZLEHRZDJJULM-AHDPXTMNSA-N	-1	0	410.397	-0.403	40	30		HBEBRM
C=CCO[C@H]1O[C@H](CS(=O)(=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005882542	568965908	/nfs/dbraw/zinc/96/59/08/568965908.db2.gz	HCZLEHRZDJJULM-RYPNDVFKSA-N	-1	0	410.397	-0.403	40	30		HBEBRM
C=CCO[C@H]1O[C@H](CS(=O)(=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005882546	568965890	/nfs/dbraw/zinc/96/58/90/568965890.db2.gz	HCZLEHRZDJJULM-KHMAMNHCSA-N	-1	0	410.397	-0.403	40	30		HBEBRM
O=c1c2ccccc2c(=O)c1=NC(=N/[O-])/C(N=c1c(=O)c2ccccc2c1=O)=N\O	ZINC000006864779	557727512	/nfs/dbraw/zinc/72/75/12/557727512.db2.gz	RMUQSKXVCUHGHX-BLVCXSLXSA-N	-1	0	402.322	-0.738	40	30		HBEBRM
C/C(=N\N[C@H](C)CS(=O)(=O)C[C@@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)[O-])C(=O)[O-]	ZINC000016576600	518463190	/nfs/dbraw/zinc/46/31/90/518463190.db2.gz	FDTWLRXKVJMBTC-QDOBKIBLSA-O	-1	0	414.526	-0.950	40	30		HBEBRM
NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000027562881	526812845	/nfs/dbraw/zinc/81/28/45/526812845.db2.gz	GQVYMRCXBVXSDC-GFCCVEGCSA-N	-1	0	410.387	-0.642	40	30		HBEBRM
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000027562884	526812832	/nfs/dbraw/zinc/81/28/32/526812832.db2.gz	GQVYMRCXBVXSDC-LBPRGKRZSA-N	-1	0	410.387	-0.642	40	30		HBEBRM
C[C@@H](CC[C@@H]1C(C(=O)[O-])=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000072320326	560078076	/nfs/dbraw/zinc/07/80/76/560078076.db2.gz	HFYDDOQMBZTGBR-UBMMXFHCSA-N	-1	0	402.440	-0.402	40	30	biogenic,in-vitro	HBEBRM
C[C@H](CC[C@@H]1C(C(=O)[O-])=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000072320327	560078075	/nfs/dbraw/zinc/07/80/75/560078075.db2.gz	HFYDDOQMBZTGBR-IDQAOFIHSA-N	-1	0	402.440	-0.402	40	30	biogenic,in-vitro	HBEBRM
C[C@@H](CC[C@H]1C(C(=O)[O-])=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100070233	524519086	/nfs/dbraw/zinc/51/90/86/524519086.db2.gz	HFYDDOQMBZTGBR-CXTSZHCKSA-N	-1	0	402.440	-0.402	40	30	biogenic,in-vitro	HBEBRM
C[C@H](CC[C@H]1C(C(=O)[O-])=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100070236	560053602	/nfs/dbraw/zinc/05/36/02/560053602.db2.gz	HFYDDOQMBZTGBR-BJASGNCXSA-N	-1	0	402.440	-0.402	40	30	biogenic,in-vitro	HBEBRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000100484570	559208743	/nfs/dbraw/zinc/20/87/43/559208743.db2.gz	YCZTUBHUGXHSKE-APOZVJGGSA-N	-1	0	421.453	-0.814	40	30		HBEBRM
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1	ZINC000254005599	523299282	/nfs/dbraw/zinc/29/92/82/523299282.db2.gz	JFPVXVDWJQMJEE-QMTHXVAHSA-N	-1	0	424.391	-0.536	40	30	investigational	HBEBRM