smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1	ZINC000045885918	276202516	/nfs/dbraw/zinc/20/25/16/276202516.db2.gz	HZCXIQQGWFWVNR-UHFFFAOYSA-N	1	2	304.177	3.044	40	5		DGBBLO
CC[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000045885928	276202569	/nfs/dbraw/zinc/20/25/69/276202569.db2.gz	KXZYPZYAZKDPRH-UHFFFAOYSA-N	1	2	304.177	3.044	40	5		DGBBLO
COC(=O)c1cccc(-n2c[nH+]cc2-c2cccc([N+](=O)[O-])c2)c1	ZINC000585295219	400132303	/nfs/dbraw/zinc/13/23/03/400132303.db2.gz	QPKRPMKQAGJLKC-UHFFFAOYSA-N	1	2	323.308	3.234	40	5		DGBBLO
COC(=O)c1ccc(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)cc1	ZINC001740818988	1203279768	/nfs/dbraw/zinc/27/97/68/1203279768.db2.gz	RCRGGVGGJLUZEV-UHFFFAOYSA-N	1	2	323.308	3.095	40	5		DGBBLO
C[NH+](C)c1ccc(NC2=Nc3ccc([N+](=O)[O-])cc3OC2)cc1	ZINC000016186495	182036517	/nfs/dbraw/zinc/03/65/17/182036517.db2.gz	REMFNXAUDSCOJB-UHFFFAOYSA-N	1	2	312.329	3.195	40	5		DGBBLO
CC(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000329053202	434350073	/nfs/dbraw/zinc/35/00/73/434350073.db2.gz	VEPQONGCSWPBEJ-UHFFFAOYSA-N	1	2	313.361	3.826	40	5		DGBBLO
COC(=O)c1ccc(-n2c[nH+]cc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000585293922	400131825	/nfs/dbraw/zinc/13/18/25/400131825.db2.gz	BTZFMRBIYONNTE-UHFFFAOYSA-N	1	2	323.308	3.234	40	5		DGBBLO
S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)N1CCOCC1	ZINC000409191053	434597394	/nfs/dbraw/zinc/59/73/94/434597394.db2.gz	ZDTFCAKBEXANNW-UHFFFAOYSA-N	1	2	323.421	3.417	40	5		DGBBLO
C[N+](C)(C)c1cc(Br)c(O)c(Br)c1	ZINC000001757434	300876457	/nfs/dbraw/zinc/87/64/57/300876457.db2.gz	HCXPYHFEYAIPHR-UHFFFAOYSA-O	1	2	310.009	3.114	40	5		DGBBLO
CC(C)(C)N1C[N@@H+](C(C)(C)C)CC(c2ccccc2)([N+](=O)[O-])C1	ZINC000019327414	278347020	/nfs/dbraw/zinc/34/70/20/278347020.db2.gz	XWIOOOAOFOVNMK-UHFFFAOYSA-N	1	2	319.449	3.331	40	5		DGBBLO
CC(C)(C)N1C[N@H+](C(C)(C)C)CC(c2ccccc2)([N+](=O)[O-])C1	ZINC000019327414	278347022	/nfs/dbraw/zinc/34/70/22/278347022.db2.gz	XWIOOOAOFOVNMK-UHFFFAOYSA-N	1	2	319.449	3.331	40	5		DGBBLO
CNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329033249	434346432	/nfs/dbraw/zinc/34/64/32/434346432.db2.gz	QRZOKVFEOYOGMD-UHFFFAOYSA-N	1	2	321.340	3.837	40	5		DGBBLO
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000038853963	183011111	/nfs/dbraw/zinc/01/11/11/183011111.db2.gz	WLHAVRDXRUMNHO-UHFFFAOYSA-N	1	2	322.324	3.092	40	5		DGBBLO
OCCCNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189158	434598734	/nfs/dbraw/zinc/59/87/34/434598734.db2.gz	JBXIUBKOCYRPQJ-UHFFFAOYSA-N	1	2	311.410	3.057	40	5		DGBBLO
O=C(C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004893565	181169770	/nfs/dbraw/zinc/16/97/70/181169770.db2.gz	RRUYCENAAMEQTI-UHFFFAOYSA-N	1	2	311.769	3.063	40	5		DGBBLO
CN(C)c1ccc2cc3ccc(N(C)C)c(C=O)c3[nH+]c2c1C=O	ZINC000003880975	289412520	/nfs/dbraw/zinc/41/25/20/289412520.db2.gz	VXMXLZHNUAJQSM-UHFFFAOYSA-N	1	2	321.380	3.145	40	5		DGBBLO
COC(=O)c1ccc(-n2c[nH+]cc2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000585295183	400131546	/nfs/dbraw/zinc/13/15/46/400131546.db2.gz	OWVWWBPRNOSFCA-UHFFFAOYSA-N	1	2	323.308	3.234	40	5		DGBBLO
O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1	ZINC000329024354	434345342	/nfs/dbraw/zinc/34/53/42/434345342.db2.gz	OZKJYELTFZZRMN-UHFFFAOYSA-N	1	2	311.345	3.580	40	5		DGBBLO
COCCNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409188114	434598334	/nfs/dbraw/zinc/59/83/34/434598334.db2.gz	ASHYNWMVBUDRBJ-UHFFFAOYSA-N	1	2	311.410	3.321	40	5		DGBBLO
COC(=O)c1cccc(-n2c[nH+]cc2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000585293968	400132375	/nfs/dbraw/zinc/13/23/75/400132375.db2.gz	CGMCAIHTWKLVMW-UHFFFAOYSA-N	1	2	323.308	3.234	40	5		DGBBLO