smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOP(=O)(OCC)C(F)(F)[C@@H](C[N+](=O)[O-])c1ccccc1	ZINC000137059674	564056753	/nfs/dbraw/zinc/05/67/53/564056753.db2.gz	ZSSKCNCLDNITJE-LBPRGKRZSA-N	0	2	337.259	3.906	40	5		EHBBLN
CCOP(=O)(OCC)C(F)(F)[C@H](C[N+](=O)[O-])c1ccccc1	ZINC000137059708	564056771	/nfs/dbraw/zinc/05/67/71/564056771.db2.gz	ZSSKCNCLDNITJE-GFCCVEGCSA-N	0	2	337.259	3.906	40	5		EHBBLN
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1	ZINC000408961477	564008321	/nfs/dbraw/zinc/00/83/21/564008321.db2.gz	MNSRGYWPZDTQQA-UKTHLTGXSA-N	0	2	342.332	3.541	40	5		EHBBLN
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005925481	564056988	/nfs/dbraw/zinc/05/69/88/564056988.db2.gz	GMJLASVPKUIKPJ-UHFFFAOYSA-N	0	2	334.397	3.827	40	5		EHBBLN
CC(C)CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21	ZINC000409109242	563994161	/nfs/dbraw/zinc/99/41/61/563994161.db2.gz	AFXGNGKKYKMENW-DHDCSXOGSA-N	0	2	338.363	3.844	40	5		EHBBLN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(C(F)F)n[nH]1	ZINC000216904567	241219876	/nfs/dbraw/zinc/21/98/76/241219876.db2.gz	XOPRHKYJTZBXDP-UHFFFAOYSA-N	0	2	340.233	3.821	40	5		EHBBLN
Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C	ZINC000005234954	564001375	/nfs/dbraw/zinc/00/13/75/564001375.db2.gz	PXLCGAXMUUTBQX-UHFFFAOYSA-N	0	2	340.788	3.666	40	5		EHBBLN
CCSc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020491766	212139255	/nfs/dbraw/zinc/13/92/55/212139255.db2.gz	HHMWGILQSVTSDD-UHFFFAOYSA-N	0	2	338.410	3.508	40	5		EHBBLN
O=C(c1[nH]c2sc3c(c2c1O)CCCC3)c1cccc([N+](=O)[O-])c1	ZINC000001745284	564086224	/nfs/dbraw/zinc/08/62/24/564086224.db2.gz	XKOFSYQAXKOYOS-UHFFFAOYSA-N	0	2	342.376	3.953	40	5		EHBBLN
O=[N+]([O-])C[C@H](OCCCc1ccccc1)C(Cl)(Cl)Cl	ZINC000008642383	564166160	/nfs/dbraw/zinc/16/61/60/564166160.db2.gz	PLNVHNGUNQMHHC-NSHDSACASA-N	0	2	326.607	3.651	40	5		EHBBLN
O=[N+]([O-])C[C@@H](OCCCc1ccccc1)C(Cl)(Cl)Cl	ZINC000001727667	209788355	/nfs/dbraw/zinc/78/83/55/209788355.db2.gz	PLNVHNGUNQMHHC-LLVKDONJSA-N	0	2	326.607	3.651	40	5		EHBBLN
CCCCCN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000409203237	564011040	/nfs/dbraw/zinc/01/10/40/564011040.db2.gz	WDDRCVGLSVUDEB-LCYFTJDESA-N	0	2	336.369	3.527	40	5		EHBBLN
Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1	ZINC000022259189	212285957	/nfs/dbraw/zinc/28/59/57/212285957.db2.gz	FHKNJWQTWXFNMS-UHFFFAOYSA-N	0	2	334.397	3.827	40	5		EHBBLN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000006368785	564085305	/nfs/dbraw/zinc/08/53/05/564085305.db2.gz	AZXLMVSCWTYBLQ-UHFFFAOYSA-N	0	2	347.179	3.702	40	5		EHBBLN