smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1NC(=N)N(c2cccc(Cl)c2)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N1	ZINC000001575681	132247222	/nfs/dbraw/zinc/24/72/22/132247222.db2.gz	XJIQRJBLABYEAI-CQSZACIVSA-N	0	3	401.814	1.454	40	5		HDBBHN
CN(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000013648261	558850343	/nfs/dbraw/zinc/85/03/43/558850343.db2.gz	HTYWHAVBBZVJCU-UHFFFAOYSA-N	0	3	406.464	1.468	40	5		HDBBHN
CN(C)C(=O)CN[C@@H]1CCCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2	ZINC000306136751	568901340	/nfs/dbraw/zinc/90/13/40/568901340.db2.gz	QCKNBZIHWFKDSI-QUCCMNQESA-N	0	3	408.474	1.925	40	5		HDBBHN
CN(C)CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000010111535	569395132	/nfs/dbraw/zinc/39/51/32/569395132.db2.gz	PMBSSMIORKTPHC-UHFFFAOYSA-N	0	3	406.464	1.468	40	5		HDBBHN
COc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c([N+](=O)[O-])c1	ZINC000328977262	569423048	/nfs/dbraw/zinc/42/30/48/569423048.db2.gz	FSVNSIIONKMZGR-UHFFFAOYSA-N	0	3	400.361	1.973	40	5		HDBBHN
CCSc1n[nH]c(-n2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)n1	ZINC000040398920	521783084	/nfs/dbraw/zinc/78/30/84/521783084.db2.gz	QGNVWUMJNANMJJ-UHFFFAOYSA-N	0	3	411.491	1.492	40	5		HDBBHN
CN(C)C(=O)CN[C@@H]1CCCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2	ZINC000306136752	568901403	/nfs/dbraw/zinc/90/14/03/568901403.db2.gz	QCKNBZIHWFKDSI-UYAOXDASSA-N	0	3	408.474	1.925	40	5		HDBBHN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O	ZINC000222378668	568752394	/nfs/dbraw/zinc/75/23/94/568752394.db2.gz	NBEGSSRYRLGGEC-UHFFFAOYSA-N	0	3	412.512	1.660	40	5		HDBBHN
CN(C)C(=O)CN[C@H]1CCCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2	ZINC000306136750	568901361	/nfs/dbraw/zinc/90/13/61/568901361.db2.gz	QCKNBZIHWFKDSI-ICSRJNTNSA-N	0	3	408.474	1.925	40	5		HDBBHN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN1CCCCCC1)S(C)(=O)=O	ZINC000010334798	569343935	/nfs/dbraw/zinc/34/39/35/569343935.db2.gz	IJGOUNIOOGQMEF-UHFFFAOYSA-N	0	3	412.512	1.661	40	5		HDBBHN
COCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001722755	569032995	/nfs/dbraw/zinc/03/29/95/569032995.db2.gz	GAYPYHNATGYKBI-UHFFFAOYSA-N	0	3	407.448	1.992	40	5		HDBBHN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154356	526996109	/nfs/dbraw/zinc/99/61/09/526996109.db2.gz	CRGQMTIDIJWLMZ-UHFFFAOYSA-N	0	3	401.379	1.930	40	5		HDBBHN
CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222543378	568763150	/nfs/dbraw/zinc/76/31/50/568763150.db2.gz	HKGCIIDUARPMNH-MRXNPFEDSA-N	0	3	412.512	1.658	40	5		HDBBHN
CN(C)C(=O)CN[C@H]1CCCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2	ZINC000306136749	568901349	/nfs/dbraw/zinc/90/13/49/568901349.db2.gz	QCKNBZIHWFKDSI-AZUAARDMSA-N	0	3	408.474	1.925	40	5		HDBBHN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154357	568590497	/nfs/dbraw/zinc/59/04/97/568590497.db2.gz	DJPDVCSPNFIWGT-UHFFFAOYSA-N	0	3	401.379	1.930	40	5		HDBBHN
CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222543309	568763162	/nfs/dbraw/zinc/76/31/62/568763162.db2.gz	HKGCIIDUARPMNH-INIZCTEOSA-N	0	3	412.512	1.658	40	5		HDBBHN