smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000154655685	551480648	/nfs/dbraw/zinc/48/06/48/551480648.db2.gz	ORYVMFITQQTYOA-CQSZACIVSA-N	0	3	384.274	2.843	10	5		GFBEHN
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000176727084	655253601	/nfs/dbraw/zinc/25/36/01/655253601.db2.gz	UWJODLYDGGCJGF-QWHCGFSZSA-N	0	3	387.889	2.804	10	5		GFBEHN
CN(C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	ZINC000006773797	204203206	/nfs/dbraw/zinc/20/32/06/204203206.db2.gz	WEDGVQOOIVIUGU-UHFFFAOYSA-N	0	3	379.420	2.739	10	5		GFBEHN
O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN2CCC[C@H]2C1	ZINC000179168943	552186112	/nfs/dbraw/zinc/18/61/12/552186112.db2.gz	KQIPRUHCADIJFL-JTQLQIEISA-N	0	3	388.649	2.931	10	5		GFBEHN
CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000154655805	551480392	/nfs/dbraw/zinc/48/03/92/551480392.db2.gz	ORYVMFITQQTYOA-AWEZNQCLSA-N	0	3	384.274	2.843	10	5		GFBEHN
Cn1cc([C@H]2[C@H](CNCc3csc([N+](=O)[O-])c3)CC(=O)N2C(C)(C)C)cn1	ZINC000583622952	570802782	/nfs/dbraw/zinc/80/27/82/570802782.db2.gz	LQXFRKDLKGBGCR-SUMWQHHRSA-N	0	3	391.497	2.868	10	5		GFBEHN
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000246752651	655430523	/nfs/dbraw/zinc/43/05/23/655430523.db2.gz	ZZMVJRQIBZERPD-OLZOCXBDSA-N	0	3	387.889	2.804	10	5		GFBEHN
CN(C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000152125617	551426390	/nfs/dbraw/zinc/42/63/90/551426390.db2.gz	FYGCVUOSNLEOGY-SECBINFHSA-N	0	3	376.638	2.787	10	5		GFBEHN
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000246187299	655429447	/nfs/dbraw/zinc/42/94/47/655429447.db2.gz	UWJODLYDGGCJGF-STQMWFEESA-N	0	3	387.889	2.804	10	5		GFBEHN
O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN2CCC[C@@H]2C1	ZINC000179168870	552186238	/nfs/dbraw/zinc/18/62/38/552186238.db2.gz	KQIPRUHCADIJFL-SNVBAGLBSA-N	0	3	388.649	2.931	10	5		GFBEHN
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000246187292	655429430	/nfs/dbraw/zinc/42/94/30/655429430.db2.gz	UWJODLYDGGCJGF-OLZOCXBDSA-N	0	3	387.889	2.804	10	5		GFBEHN
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000246752659	655430553	/nfs/dbraw/zinc/43/05/53/655430553.db2.gz	ZZMVJRQIBZERPD-STQMWFEESA-N	0	3	387.889	2.804	10	5		GFBEHN
CN(C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000152125691	551426303	/nfs/dbraw/zinc/42/63/03/551426303.db2.gz	FYGCVUOSNLEOGY-VIFPVBQESA-N	0	3	376.638	2.787	10	5		GFBEHN
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000124357180	654775190	/nfs/dbraw/zinc/77/51/90/654775190.db2.gz	ZZMVJRQIBZERPD-QWHCGFSZSA-N	0	3	387.889	2.804	10	5		GFBEHN
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000176727069	655253559	/nfs/dbraw/zinc/25/35/59/655253559.db2.gz	UWJODLYDGGCJGF-CHWSQXEVSA-N	0	3	387.889	2.804	10	5		GFBEHN
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000124356967	654775155	/nfs/dbraw/zinc/77/51/55/654775155.db2.gz	ZZMVJRQIBZERPD-CHWSQXEVSA-N	0	3	387.889	2.804	10	5		GFBEHN