smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2cc3ccccc3nc2c(C(=O)NCCN(C)C)c1	ZINC000005808488	181285965	/nfs/dbraw/zinc/28/59/65/181285965.db2.gz	IYOTYXTVTCKUCH-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
COc1cccc2cc3cccc(C(=O)NCCN(C)C)c3nc21	ZINC000005957845	181300785	/nfs/dbraw/zinc/30/07/85/181300785.db2.gz	ZUBYFEFTGDBYAR-UHFFFAOYSA-N	0	3	323.396	2.688	10	5		DFBEHN
O=[N+]([O-])c1ccc2nc(OCCC[C@@H]3CCC[NH2+]C3)[n-]c2c1	ZINC000095092023	426365501	/nfs/dbraw/zinc/36/55/01/426365501.db2.gz	GEUMZPTVBFTWEU-NSHDSACASA-N	0	3	304.350	2.630	10	5		DFBEHN
O=[N+]([O-])c1ccc2[n-]c(OCCC[C@@H]3CCC[NH2+]C3)nc2c1	ZINC000095092023	426365503	/nfs/dbraw/zinc/36/55/03/426365503.db2.gz	GEUMZPTVBFTWEU-NSHDSACASA-N	0	3	304.350	2.630	10	5		DFBEHN
Cc1cccc2cc3cccc(C(=O)NCCN(C)C)c3nc12	ZINC000005808483	181285922	/nfs/dbraw/zinc/28/59/22/181285922.db2.gz	OMODTYNMXWHFBD-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1ccncc1	ZINC000040586271	183105732	/nfs/dbraw/zinc/10/57/32/183105732.db2.gz	HYJGDSYSXSTKMF-UHFFFAOYSA-N	0	3	309.289	2.662	10	5		DFBEHN
COc1ccc2cc3cccc(C(=O)NCCN(C)C)c3nc2c1	ZINC000005957853	181300535	/nfs/dbraw/zinc/30/05/35/181300535.db2.gz	ZLEASFTYMBDCSN-UHFFFAOYSA-N	0	3	323.396	2.688	10	5		DFBEHN
O=[N+]([O-])c1ccc2nc(OCCC[C@H]3CCC[NH2+]C3)[n-]c2c1	ZINC000095092024	426365341	/nfs/dbraw/zinc/36/53/41/426365341.db2.gz	GEUMZPTVBFTWEU-LLVKDONJSA-N	0	3	304.350	2.630	10	5		DFBEHN
O=[N+]([O-])c1ccc2[n-]c(OCCC[C@H]3CCC[NH2+]C3)nc2c1	ZINC000095092024	426365343	/nfs/dbraw/zinc/36/53/43/426365343.db2.gz	GEUMZPTVBFTWEU-LLVKDONJSA-N	0	3	304.350	2.630	10	5		DFBEHN
COc1ccc2nc3c(cccc3C(=O)NCCN(C)C)cc2c1	ZINC000005808484	181285684	/nfs/dbraw/zinc/28/56/84/181285684.db2.gz	GDSTWJPHVBRLOK-UHFFFAOYSA-N	0	3	323.396	2.688	10	5		DFBEHN
O=[N+]([O-])c1ccc2nc(OCCCC3CC[NH2+]CC3)[n-]c2c1	ZINC000095092025	426365985	/nfs/dbraw/zinc/36/59/85/426365985.db2.gz	QLYKGKYDJGPQRA-UHFFFAOYSA-N	0	3	304.350	2.630	10	5		DFBEHN
O=[N+]([O-])c1ccc2[n-]c(OCCCC3CC[NH2+]CC3)nc2c1	ZINC000095092025	426365989	/nfs/dbraw/zinc/36/59/89/426365989.db2.gz	QLYKGKYDJGPQRA-UHFFFAOYSA-N	0	3	304.350	2.630	10	5		DFBEHN
CC(C)N1CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1	ZINC000013523984	398388419	/nfs/dbraw/zinc/38/84/19/398388419.db2.gz	HWAFXTZKLAJTQR-UHFFFAOYSA-N	0	3	322.412	2.607	10	5		DFBEHN
C[C@H](CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N(C)C	ZINC000037985579	182954561	/nfs/dbraw/zinc/95/45/61/182954561.db2.gz	HHDBEQUGOJITGB-SSDOTTSWSA-N	0	3	320.176	2.582	10	5		DFBEHN
Cc1cccc2nc3c(cccc3C(=O)NCCN(C)C)cc12	ZINC000005808490	181286029	/nfs/dbraw/zinc/28/60/29/181286029.db2.gz	WUCCTNZMKRRCCJ-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
COc1cc2cc3ccccc3nc2c(C(=O)NCCN(C)C)c1	ZINC000005957814	181300634	/nfs/dbraw/zinc/30/06/34/181300634.db2.gz	ASXJQFGUSLWIBV-UHFFFAOYSA-N	0	3	323.396	2.688	10	5		DFBEHN
Cc1ccc2cc3cccc(C(=O)NCCN(C)C)c3nc2c1	ZINC000005161065	181212197	/nfs/dbraw/zinc/21/21/97/181212197.db2.gz	AIBVALGEPRMDJX-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
O=[N+]([O-])c1ccc2nc(OCCC[C@@H]3CCCC[NH2+]3)[n-]c2c1	ZINC000095092021	426365111	/nfs/dbraw/zinc/36/51/11/426365111.db2.gz	JVGPTUPLLINRTF-NSHDSACASA-N	0	3	304.350	2.772	10	5		DFBEHN
O=[N+]([O-])c1ccc2[n-]c(OCCC[C@@H]3CCCC[NH2+]3)nc2c1	ZINC000095092021	426365114	/nfs/dbraw/zinc/36/51/14/426365114.db2.gz	JVGPTUPLLINRTF-NSHDSACASA-N	0	3	304.350	2.772	10	5		DFBEHN
Cc1ccc2cc3ccccc3nc2c1C(=O)NCCN(C)C	ZINC000005161067	181212210	/nfs/dbraw/zinc/21/22/10/181212210.db2.gz	FULSJXJQUJKXTJ-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
COc1ccc([C@@H]2CN(Cc3ccccc3)CC2[N+](=O)[O-])cc1	ZINC000118659028	398771825	/nfs/dbraw/zinc/77/18/25/398771825.db2.gz	IFUHSIULUFPYKO-ZWKOTPCHSA-N	0	3	312.369	2.940	10	5		DFBEHN
O=[N+]([O-])c1ccc2nc(OCCC[C@H]3CCCC[NH2+]3)[n-]c2c1	ZINC000095092022	426365220	/nfs/dbraw/zinc/36/52/20/426365220.db2.gz	JVGPTUPLLINRTF-LLVKDONJSA-N	0	3	304.350	2.772	10	5		DFBEHN
O=[N+]([O-])c1ccc2[n-]c(OCCC[C@H]3CCCC[NH2+]3)nc2c1	ZINC000095092022	426365223	/nfs/dbraw/zinc/36/52/23/426365223.db2.gz	JVGPTUPLLINRTF-LLVKDONJSA-N	0	3	304.350	2.772	10	5		DFBEHN
Cc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12	ZINC000005159816	181212045	/nfs/dbraw/zinc/21/20/45/181212045.db2.gz	DGOQVGSGBATEPX-UHFFFAOYSA-N	0	3	307.397	2.988	10	5		DFBEHN
Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000017030919	182068830	/nfs/dbraw/zinc/06/88/30/182068830.db2.gz	HEWAJQRGTXXDTI-UHFFFAOYSA-N	0	3	303.343	2.908	10	5		DFBEHN