smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nn1c(=O)[n-][nH]c1=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000820292061	805153221	/nfs/dbraw/zinc/15/32/21/805153221.db2.gz	OGASOATYNJQIPP-UHFFFAOYSA-N	-1	2	305.210	-0.142	20	5		DBBDLM
Cn1nnc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000127418007	803811277	/nfs/dbraw/zinc/81/12/77/803811277.db2.gz	XHJDGSVUSGKEBC-UHFFFAOYSA-N	-1	2	300.256	-0.375	20	5		DBBDLM
O=C([O-])C(F)(F)CNS(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001601663551	1017866012	/nfs/dbraw/zinc/86/60/12/1017866012.db2.gz	AGWTZJJPBSPZNH-UHFFFAOYSA-N	-1	2	311.222	-0.012	20	5		DBBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)n1	ZINC000599223499	376260757	/nfs/dbraw/zinc/26/07/57/376260757.db2.gz	MLXAEPKTHBWEMM-QMMMGPOBSA-N	-1	2	303.344	-0.299	20	5		DBBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1	ZINC000599224319	376259894	/nfs/dbraw/zinc/25/98/94/376259894.db2.gz	YKSQMXAVKDRWBB-QMMMGPOBSA-N	-1	2	315.355	-0.157	20	5		DBBDLM
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC001601940772	1017896749	/nfs/dbraw/zinc/89/67/49/1017896749.db2.gz	IPUWVFUJBSTPKZ-VIFPVBQESA-N	-1	2	323.261	-0.284	20	5		DBBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)n1	ZINC000599224318	376261348	/nfs/dbraw/zinc/26/13/48/376261348.db2.gz	YKSQMXAVKDRWBB-MRVPVSSYSA-N	-1	2	315.355	-0.157	20	5		DBBDLM
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC001601940771	1017896540	/nfs/dbraw/zinc/89/65/40/1017896540.db2.gz	IPUWVFUJBSTPKZ-SECBINFHSA-N	-1	2	323.261	-0.284	20	5		DBBDLM
O=C([O-])Cn1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])nn1	ZINC000352019421	392157296	/nfs/dbraw/zinc/15/72/96/392157296.db2.gz	BRKIAEKEEAELNI-OWOJBTEDSA-N	-1	2	308.210	-0.358	20	5		DBBDLM
O=C([O-])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC001594828163	953954525	/nfs/dbraw/zinc/95/45/25/953954525.db2.gz	CRHKGHYBRSVCRD-UHFFFAOYSA-N	-1	2	323.261	-0.331	20	5		DBBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)n1	ZINC000599223498	376261404	/nfs/dbraw/zinc/26/14/04/376261404.db2.gz	MLXAEPKTHBWEMM-MRVPVSSYSA-N	-1	2	303.344	-0.299	20	5		DBBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CC2)n1	ZINC000599223021	376260666	/nfs/dbraw/zinc/26/06/66/376260666.db2.gz	GDVKSCHQVHJLEI-UHFFFAOYSA-N	-1	2	303.344	-0.299	20	5		DBBDLM
O=C([O-])NCC(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000834198326	605712869	/nfs/dbraw/zinc/71/28/69/605712869.db2.gz	HROUSVDZHVQEDS-UHFFFAOYSA-N	-1	2	312.238	-0.377	20	5		DBBDLM
O=C([O-])Cn1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])nn1	ZINC000352019422	392157617	/nfs/dbraw/zinc/15/76/17/392157617.db2.gz	BRKIAEKEEAELNI-UPHRSURJSA-N	-1	2	308.210	-0.358	20	5		DBBDLM