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(NO)[C@H]1C[NH2+]CCN1S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1	ZINC000013587231	221275688	/nfs/dbraw/zinc/27/56/88/221275688.db2.gz	PGXIJSVSLJKREW-OAHLLOKOSA-N	1	2	384.433	-0.061	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@H]2C[N@@H+](CCCC)C[C@@H](CO)O2)c1=O	ZINC000027184685	206253021	/nfs/dbraw/zinc/25/30/21/206253021.db2.gz	WHHJHYWPGGBJMV-NWDGAFQWSA-N	1	2	378.433	-0.354	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@H]2C[N@H+](CCCC)C[C@@H](CO)O2)c1=O	ZINC000027184685	206253016	/nfs/dbraw/zinc/25/30/16/206253016.db2.gz	WHHJHYWPGGBJMV-NWDGAFQWSA-N	1	2	378.433	-0.354	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@H]2C[N@@H+](CCCC)C[C@H](CO)O2)c1=O	ZINC000027184692	209177474	/nfs/dbraw/zinc/17/74/74/209177474.db2.gz	WHHJHYWPGGBJMV-VXGBXAGGSA-N	1	2	378.433	-0.354	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@H]2C[N@H+](CCCC)C[C@H](CO)O2)c1=O	ZINC000027184692	209177469	/nfs/dbraw/zinc/17/74/69/209177469.db2.gz	WHHJHYWPGGBJMV-VXGBXAGGSA-N	1	2	378.433	-0.354	1	30		GBEFLO
CO/N=C(\C[NH3+])[C@@H]1C[C@H](SC2=C(C(=O)[O-])N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[NH2+]1	ZINC000028709431	207347155	/nfs/dbraw/zinc/34/71/55/207347155.db2.gz	SAPJIYPYOWDKGF-QFOFMFPASA-N	1	2	398.485	-0.435	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@@H]2C[N@@H+](CCCC)C[C@@H](CO)O2)c1=O	ZINC000040709746	206195864	/nfs/dbraw/zinc/19/58/64/206195864.db2.gz	WHHJHYWPGGBJMV-RYUDHWBXSA-N	1	2	378.433	-0.354	1	30		GBEFLO
C=CCn1c2c(nc(N)[nH]c2=O)n([C@@H]2C[N@H+](CCCC)C[C@@H](CO)O2)c1=O	ZINC000040709746	206195860	/nfs/dbraw/zinc/19/58/60/206195860.db2.gz	WHHJHYWPGGBJMV-RYUDHWBXSA-N	1	2	378.433	-0.354	1	30		GBEFLO
CC[NH2+]N(CC(=O)N1CSC[C@H]1C#N)C1CCN(S(C)(=O)=O)CC1	ZINC000084589085	211170854	/nfs/dbraw/zinc/17/08/54/211170854.db2.gz	SPDONMDYRHJHNE-CYBMUJFWSA-N	1	2	375.520	-0.338	1	30		GBEFLO
CCCCCCCCCn1cc(C[NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1	ZINC000101345282	211398438	/nfs/dbraw/zinc/39/84/38/211398438.db2.gz	HXLITFAGQOAVKE-WKTMMLQWSA-N	1	2	386.493	-0.695	1	30		GBEFLO