smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Cn2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)cc1	ZINC000040398793	524262775	/nfs/dbraw/zinc/26/27/75/524262775.db2.gz	LOFPMHRKQKYGFV-UHFFFAOYSA-N	0	3	404.470	2.330	40	5		HEBBHN
COc1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020154273	568590422	/nfs/dbraw/zinc/59/04/22/568590422.db2.gz	YRYFVVXTBFCNRG-UHFFFAOYSA-N	0	3	401.379	2.174	40	5		HEBBHN
COc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c([N+](=O)[O-])c1	ZINC000328969944	568970552	/nfs/dbraw/zinc/97/05/52/568970552.db2.gz	DGXLNPPXFNHKCH-UHFFFAOYSA-N	0	3	409.450	2.016	40	5		HEBBHN
CCOC(=O)COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC	ZINC000409353771	559248298	/nfs/dbraw/zinc/24/82/98/559248298.db2.gz	REVNLLLUIQVGJO-SOFGYWHQSA-N	0	3	405.363	2.307	40	5		HEBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(N)=O	ZINC000008471006	571052866	/nfs/dbraw/zinc/05/28/66/571052866.db2.gz	XQFYICFXYZBAGC-UHFFFAOYSA-N	0	3	408.842	2.323	40	5		HEBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)OC(C)C	ZINC000408599975	559220237	/nfs/dbraw/zinc/22/02/37/559220237.db2.gz	PZJMSLBIGLRRQR-FNORWQNLSA-N	0	3	405.363	2.305	40	5		HEBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O	ZINC000007274894	569231418	/nfs/dbraw/zinc/23/14/18/569231418.db2.gz	RWRBXXLKDKVVEU-UHFFFAOYSA-N	0	3	408.842	2.323	40	5		HEBBHN
O=C1C[C@H](NC2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1	ZINC000020353839	568599681	/nfs/dbraw/zinc/59/96/81/568599681.db2.gz	RSNNJCRTWRJTLH-INIZCTEOSA-N	0	3	413.409	2.019	40	5		HEBBHN
O=C1C[C@@H](NC2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1	ZINC000100213539	559177788	/nfs/dbraw/zinc/17/77/88/559177788.db2.gz	RSNNJCRTWRJTLH-MRXNPFEDSA-N	0	3	413.409	2.019	40	5		HEBBHN
COc1cc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000020154289	568590488	/nfs/dbraw/zinc/59/04/88/568590488.db2.gz	YIAHTFJTIUZBHW-UHFFFAOYSA-N	0	3	416.434	2.283	40	5		HEBBHN
COc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c([N+](=O)[O-])c1	ZINC000329016438	569423565	/nfs/dbraw/zinc/42/35/65/569423565.db2.gz	NGKUJQFAKKVGCZ-UHFFFAOYSA-N	0	3	409.450	2.016	40	5		HEBBHN
COc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c([N+](=O)[O-])c1	ZINC000329026978	569423825	/nfs/dbraw/zinc/42/38/25/569423825.db2.gz	PPWQHNGDRVMWSA-UHFFFAOYSA-N	0	3	409.450	2.016	40	5		HEBBHN