smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cccc(NN=C2CC[C@H](C)n3c(=O)c(C(=O)[O-])cnc32)c1	ZINC000040466318	205064863	/nfs/dbraw/zinc/06/48/63/205064863.db2.gz	XEGVSDNFRQJBOF-WKOREQJTSA-N	-1	1	384.392	2.289	1	30		GEEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(NN)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066100236	222138107	/nfs/dbraw/zinc/13/81/07/222138107.db2.gz	SEOINVSZSYAZJX-CYBMUJFWSA-N	-1	1	396.407	2.164	1	30		GEEFMM
CCO[C@H]1C2=C(C(=O)C([O-])=C([C@@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913326	291114394	/nfs/dbraw/zinc/11/43/94/291114394.db2.gz	RKFLDMZOLRTDIZ-QXOWTWAZSA-N	-1	1	392.492	2.488	1	30	biogenic,in-vitro	GEEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066101293	222137174	/nfs/dbraw/zinc/13/71/74/222137174.db2.gz	JCMALSYZLMWWOQ-CYBMUJFWSA-N	-1	1	381.392	2.461	1	30		GEEFMM
N/C(=N/O)c1c(=O)[n-]c(Nc2ccc3oc(=O)ccc3c2)nc1-c1ccccc1	ZINC000072118504	205304119	/nfs/dbraw/zinc/30/41/19/205304119.db2.gz	OGJGJKRTDYYIOE-UHFFFAOYSA-N	-1	1	389.371	2.381	1	30		GEEFMM
COc1cc(-c2[nH]c(=S)n3c(n[n-]c3=S)c2C#N)cc(OC)c1OC	ZINC000096932746	208329914	/nfs/dbraw/zinc/32/99/14/208329914.db2.gz	AESCWEQMMVJEIN-UHFFFAOYSA-N	-1	1	375.435	2.266	1	30		GEEFMM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)cc1OC	ZINC000013493385	210065573	/nfs/dbraw/zinc/06/55/73/210065573.db2.gz	IMQKXTRDVUWCMO-BJMVGYQFSA-N	-1	1	378.406	2.023	1	30		GEEFMM
COc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/C(=O)NO)cc2)cc1OC	ZINC000001489488	209331206	/nfs/dbraw/zinc/33/12/06/209331206.db2.gz	MWBVVOSAOJSWLG-BJMVGYQFSA-N	-1	1	378.406	2.023	1	30		GEEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066101291	211001606	/nfs/dbraw/zinc/00/16/06/211001606.db2.gz	JCMALSYZLMWWOQ-ZDUSSCGKSA-N	-1	1	381.392	2.461	1	30		GEEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(NN)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066100234	211000651	/nfs/dbraw/zinc/00/06/51/211000651.db2.gz	SEOINVSZSYAZJX-ZDUSSCGKSA-N	-1	1	396.407	2.164	1	30		GEEFMM
COc1cc(O)c(C[C@H](O)C(C)(C)O)c([O-])c1C(=O)/C=C\c1ccc(O)cc1	ZINC000095919426	291115952	/nfs/dbraw/zinc/11/59/52/291115952.db2.gz	HQUDPNXJKFHASX-KKMIYCERSA-N	-1	1	388.416	2.382	1	30	biogenic,in-vitro	GEEFMM
N#CC1(c2ccncc2)CCN(Cc2cc(C(=O)[O-])c(=O)n3ccccc23)CC1	ZINC000072107944	222205392	/nfs/dbraw/zinc/20/53/92/222205392.db2.gz	LRKVASGXBCSUMK-UHFFFAOYSA-N	-1	1	388.427	2.450	1	30		GEEFMM