smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH]c(=O)c2oc3cc4ccccc4cc3c2c1C(=O)[O-]	ZINC000005502383	181250523	/nfs/dbraw/zinc/25/05/23/181250523.db2.gz	YMEIBEYKNUUBDD-UHFFFAOYSA-N	-1	0	307.305	3.688	1	5		DHBFRM
C[C@@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O	ZINC000017047144	182070568	/nfs/dbraw/zinc/07/05/68/182070568.db2.gz	WNYWRAYXFFPPGN-WKZPIUISSA-N	-1	0	315.369	3.726	1	5		DHBFRM
O=C([O-])c1cn(C2CC2)c2sc3c4ccccc4[nH]c3c2c1=O	ZINC000071317261	190957680	/nfs/dbraw/zinc/95/76/80/190957680.db2.gz	GNHPSTUWHNBLPB-UHFFFAOYSA-N	-1	0	324.361	3.731	1	5		DHBFRM
CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000045393008	183503948	/nfs/dbraw/zinc/50/39/48/183503948.db2.gz	PZBLZIXURGLVNI-UHFFFAOYSA-N	-1	0	301.302	3.507	1	5		DHBFRM
O=C([O-])/C=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000084632893	192448955	/nfs/dbraw/zinc/44/89/55/192448955.db2.gz	IVYNYFBCQSRZFK-JXMROGBWSA-N	-1	0	322.320	3.696	1	5		DHBFRM
Cc1ccc2sc3ccc4[nH]c(C(=O)[O-])cc(=O)c4c3c2c1	ZINC000169319946	197740733	/nfs/dbraw/zinc/74/07/33/197740733.db2.gz	KMOONARLCAILFZ-UHFFFAOYSA-N	-1	0	309.346	3.903	1	5		DHBFRM
O=C(c1ccccc1)c1ccc2[nH]c3ccccc3c([O-])c-2c1=O	ZINC000058502256	184121029	/nfs/dbraw/zinc/12/10/29/184121029.db2.gz	GRMKFQYASBUJIX-UHFFFAOYSA-N	-1	0	315.328	3.618	1	5		DHBFRM
O=C([O-])c1ccc2c(c1)nc(-c1cccnc1)c1ccncc21	ZINC000082158243	185174239	/nfs/dbraw/zinc/17/42/39/185174239.db2.gz	MLHDFKOOYRVEDH-UHFFFAOYSA-N	-1	0	301.305	3.543	1	5		DHBFRM
O=C([O-])c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc21	ZINC000073224623	191296311	/nfs/dbraw/zinc/29/63/11/191296311.db2.gz	RBQHWKKGMVDAKR-UHFFFAOYSA-N	-1	0	316.316	3.854	1	5		DHBFRM
Cc1ccc2c(=O)c3cccc(CC(=O)[O-])c3oc2c1Cl	ZINC000026285846	182435933	/nfs/dbraw/zinc/43/59/33/182435933.db2.gz	YFSIGVQGJQHZEI-UHFFFAOYSA-N	-1	0	302.713	3.535	1	5		DHBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccncc1)c1ccncc21	ZINC000073219936	191294680	/nfs/dbraw/zinc/29/46/80/191294680.db2.gz	LEWGTGPZJKZDGR-UHFFFAOYSA-N	-1	0	301.305	3.543	1	5		DHBFRM
C[C@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O	ZINC000017047146	182070645	/nfs/dbraw/zinc/07/06/45/182070645.db2.gz	WNYWRAYXFFPPGN-JPVZDGGYSA-N	-1	0	315.369	3.726	1	5		DHBFRM
O=C([O-])c1cnc2sccc2c1Nc1cccc([N+](=O)[O-])c1	ZINC000040845660	183141402	/nfs/dbraw/zinc/14/14/02/183141402.db2.gz	QPKLOECROMWGJR-UHFFFAOYSA-N	-1	0	315.310	3.646	1	5		DHBFRM
Nc1cccc(-c2nc3cc(C(=O)[O-])ccc3c3cnccc32)c1	ZINC000059223130	184135819	/nfs/dbraw/zinc/13/58/19/184135819.db2.gz	CHUQVSURYWXKPA-UHFFFAOYSA-N	-1	0	315.332	3.730	1	5		DHBFRM
Cc1cc(Cl)cc([N+](=O)[O-])c1Oc1ccccc1CC(=O)[O-]	ZINC000026402639	182440594	/nfs/dbraw/zinc/44/05/94/182440594.db2.gz	GTZOXXMVZYWSCM-UHFFFAOYSA-N	-1	0	321.716	3.976	1	5		DHBFRM
C[C@@]12CC[C@@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O	ZINC000017047148	182070467	/nfs/dbraw/zinc/07/04/67/182070467.db2.gz	WNYWRAYXFFPPGN-LSIMKLPESA-N	-1	0	315.369	3.726	1	5		DHBFRM
O=C([O-])c1cc(=O)c2c3c(ccc2[nH]1)sc1ccc(F)cc13	ZINC000169319398	197740955	/nfs/dbraw/zinc/74/09/55/197740955.db2.gz	GUVSMUIAXJOLKS-UHFFFAOYSA-N	-1	0	313.309	3.733	1	5		DHBFRM