smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl	ZINC000021028252	202061519	/nfs/dbraw/zinc/06/15/19/202061519.db2.gz	CPMIAWUMQKWVFI-UHFFFAOYSA-N	0	2	336.731	3.605	10	5		EHBELN
Cc1ccnc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c1	ZINC000040588361	213355636	/nfs/dbraw/zinc/35/56/36/213355636.db2.gz	HPWGWQNWBBHNIB-UHFFFAOYSA-N	0	2	329.360	3.543	10	5		EHBELN
O=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1Oc1ccccc1	ZINC000040659759	213365579	/nfs/dbraw/zinc/36/55/79/213365579.db2.gz	FIKJPSUAMCBEAU-UHFFFAOYSA-N	0	2	343.730	3.969	10	5		EHBELN
O=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1OC1CCCCC1	ZINC000040661591	213365726	/nfs/dbraw/zinc/36/57/26/213365726.db2.gz	LNRQYEPNZFOXDQ-UHFFFAOYSA-N	0	2	349.778	3.888	10	5		EHBELN
Cc1ccc(Sc2ncnc(Nc3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040646821	213363674	/nfs/dbraw/zinc/36/36/74/213363674.db2.gz	VFMBRJNWRKPEKA-UHFFFAOYSA-N	0	2	339.380	3.983	10	5		EHBELN
Cc1cccnc1Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-]	ZINC000040626105	213361038	/nfs/dbraw/zinc/36/10/38/213361038.db2.gz	NTFSJMSZJZDPMH-UHFFFAOYSA-N	0	2	329.360	3.543	10	5		EHBELN
Cc1ccc(Oc2ncnc(Nc3cccc(C)n3)c2[N+](=O)[O-])cc1	ZINC000040584801	213355528	/nfs/dbraw/zinc/35/55/28/213355528.db2.gz	NKQXQYKNAVLGDU-UHFFFAOYSA-N	0	2	337.339	3.933	10	5		EHBELN
Cc1ccc(Oc2ncnc(Nc3cc(C)ccn3)c2[N+](=O)[O-])cc1	ZINC000040588311	213355455	/nfs/dbraw/zinc/35/54/55/213355455.db2.gz	MDGGYXBZUKWHOV-UHFFFAOYSA-N	0	2	337.339	3.933	10	5		EHBELN
CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000021027903	212202315	/nfs/dbraw/zinc/20/23/15/212202315.db2.gz	MMICWTAIIREQNX-LBPRGKRZSA-N	0	2	344.367	3.831	10	5		EHBELN
CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000021027894	212201945	/nfs/dbraw/zinc/20/19/45/212201945.db2.gz	MMICWTAIIREQNX-GFCCVEGCSA-N	0	2	344.367	3.831	10	5		EHBELN
Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1	ZINC000040625954	213361766	/nfs/dbraw/zinc/36/17/66/213361766.db2.gz	ISEWBLSQSDCURD-UHFFFAOYSA-N	0	2	337.339	3.933	10	5		EHBELN
Cc1ccc(Sc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040650333	213364389	/nfs/dbraw/zinc/36/43/89/213364389.db2.gz	BQYFGIIDWGUPMY-UHFFFAOYSA-N	0	2	333.417	3.559	10	5		EHBELN
O=[N+]([O-])c1cc(Cl)c(S(=O)(=O)Nc2ccccc2)c(Cl)c1	ZINC000238854983	564105536	/nfs/dbraw/zinc/10/55/36/564105536.db2.gz	PZXINARIYICOSZ-UHFFFAOYSA-N	0	2	347.179	3.702	10	5		EHBELN
Cc1cc(C)cc(Oc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])c1	ZINC000040582816	213353475	/nfs/dbraw/zinc/35/34/75/213353475.db2.gz	BRCRLUQCHMZPIC-UHFFFAOYSA-N	0	2	331.376	3.509	10	5		EHBELN
Cc1cc(C)cc(Oc2ncnc(Nc3ccccn3)c2[N+](=O)[O-])c1	ZINC000040582676	213354299	/nfs/dbraw/zinc/35/42/99/213354299.db2.gz	NLLONVCQEVPSPU-UHFFFAOYSA-N	0	2	337.339	3.933	10	5		EHBELN