smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2[nH+]ccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1OC	ZINC000095951531	564142382	/nfs/dbraw/zinc/14/23/82/564142382.db2.gz	YRYKZXCOGVCXBN-UHFFFAOYSA-N	1	2	326.308	3.953	40	5		EHBBLO
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCCn1cc[nH+]c1	ZINC000004277476	210159378	/nfs/dbraw/zinc/15/93/78/210159378.db2.gz	WXIZFDCHIQGDQR-UHFFFAOYSA-N	1	2	348.712	3.966	40	5		EHBBLO
CN1C=Cc2ccccc2[C@H]1C([C@@H]1c2ccccc2C=C[N@H+]1C)[N+](=O)[O-]	ZINC000004958336	563993298	/nfs/dbraw/zinc/99/32/98/563993298.db2.gz	RQHSYOCXHKSIFH-PMACEKPBSA-N	1	2	347.418	3.947	40	5		EHBBLO
CN1C=Cc2ccccc2[C@H]1C([C@@H]1c2ccccc2C=C[N@@H+]1C)[N+](=O)[O-]	ZINC000004958336	563993299	/nfs/dbraw/zinc/99/32/99/563993299.db2.gz	RQHSYOCXHKSIFH-PMACEKPBSA-N	1	2	347.418	3.947	40	5		EHBBLO
CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000328969085	564082752	/nfs/dbraw/zinc/08/27/52/564082752.db2.gz	DCTKVLMXKGYKIM-NSHDSACASA-N	1	2	327.388	3.638	40	5		EHBBLO
CN1C=Cc2ccccc2[C@H]1C([C@H]1c2ccccc2C=C[N@H+]1C)[N+](=O)[O-]	ZINC000017378615	564120219	/nfs/dbraw/zinc/12/02/19/564120219.db2.gz	RQHSYOCXHKSIFH-WCRBZPEASA-N	1	2	347.418	3.947	40	5		EHBBLO
CN1C=Cc2ccccc2[C@H]1C([C@H]1c2ccccc2C=C[N@@H+]1C)[N+](=O)[O-]	ZINC000017378615	564120220	/nfs/dbraw/zinc/12/02/20/564120220.db2.gz	RQHSYOCXHKSIFH-WCRBZPEASA-N	1	2	347.418	3.947	40	5		EHBBLO
CN1C=Cc2ccccc2[C@@H]1C([C@@H]1c2ccccc2C=C[N@H+]1C)[N+](=O)[O-]	ZINC000017378615	564120221	/nfs/dbraw/zinc/12/02/21/564120221.db2.gz	RQHSYOCXHKSIFH-WCRBZPEASA-N	1	2	347.418	3.947	40	5		EHBBLO
CN1C=Cc2ccccc2[C@@H]1C([C@@H]1c2ccccc2C=C[N@@H+]1C)[N+](=O)[O-]	ZINC000017378615	564120222	/nfs/dbraw/zinc/12/02/22/564120222.db2.gz	RQHSYOCXHKSIFH-WCRBZPEASA-N	1	2	347.418	3.947	40	5		EHBBLO
CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000328969084	564137506	/nfs/dbraw/zinc/13/75/06/564137506.db2.gz	DCTKVLMXKGYKIM-LLVKDONJSA-N	1	2	327.388	3.638	40	5		EHBBLO
CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329036398	564137636	/nfs/dbraw/zinc/13/76/36/564137636.db2.gz	RIEIGZNFQIZMPH-UHFFFAOYSA-N	1	2	335.367	3.649	40	5		EHBBLO
CC(C)(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000328965993	564137520	/nfs/dbraw/zinc/13/75/20/564137520.db2.gz	CIEOOQOVXRORPO-UHFFFAOYSA-N	1	2	345.378	3.777	40	5		EHBBLO
O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1	ZINC000329065836	564137682	/nfs/dbraw/zinc/13/76/82/564137682.db2.gz	XVGDVYVCRYORGD-UHFFFAOYSA-N	1	2	347.378	3.792	40	5		EHBBLO
Cc1ccc([NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000219854693	563912894	/nfs/dbraw/zinc/91/28/94/563912894.db2.gz	NOAQPQTVTJQSRW-UHFFFAOYSA-N	1	2	339.395	3.758	40	5		EHBBLO
O=[N+]([O-])c1ccc(S[NH2+]CCc2c[nH]c3ccc(O)cc23)cc1	ZINC000005896119	564056834	/nfs/dbraw/zinc/05/68/34/564056834.db2.gz	CQCDBPZGIIAWGW-UHFFFAOYSA-N	1	2	329.381	3.621	40	5		EHBBLO
O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1	ZINC000329047847	564137645	/nfs/dbraw/zinc/13/76/45/564137645.db2.gz	UHUIXJUPBIJGTJ-UHFFFAOYSA-N	1	2	339.399	3.782	40	5		EHBBLO
Cc1c(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329068713	564137670	/nfs/dbraw/zinc/13/76/70/564137670.db2.gz	YSKHAWSKYKHNSZ-UHFFFAOYSA-N	1	2	341.415	3.947	40	5		EHBBLO
CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329049529	564137648	/nfs/dbraw/zinc/13/76/48/564137648.db2.gz	UPJFDNHFKGXLKA-UHFFFAOYSA-N	1	2	345.378	3.777	40	5		EHBBLO