smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c2c(cnc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896276	721510147	/nfs/dbraw/zinc/51/01/47/721510147.db2.gz	AJSBAUILTBVNBP-UYAOXDASSA-N	1	3	407.493	2.470	20	30		HEEDHO
N#CC1(c2cccnc2-n2cncc2C[C@@H]([NH3+])CO)CCN(Cc2ccccc2)CC1	ZINC001169072741	1079124998	/nfs/dbraw/zinc/12/49/98/1079124998.db2.gz	WAIJXQZQAAFPQO-HXUWFJFHSA-N	1	3	416.529	2.187	20	30		HEEDHO
C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000772114291	1079715523	/nfs/dbraw/zinc/71/55/23/1079715523.db2.gz	ZGRVDILCUHRIBH-UHFFFAOYSA-N	1	3	415.559	2.062	20	30		HEEDHO
N#Cc1c2c(cnc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979323	722100088	/nfs/dbraw/zinc/10/00/88/722100088.db2.gz	IAGPTFDRYAUZOO-CVDCTZTESA-N	1	3	418.545	2.111	20	30		HEEDHO
N#Cc1c2c(cnc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896275	721509907	/nfs/dbraw/zinc/50/99/07/721509907.db2.gz	AJSBAUILTBVNBP-QUCCMNQESA-N	1	3	407.493	2.470	20	30		HEEDHO
N#Cc1c2c(cnc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979321	722100289	/nfs/dbraw/zinc/10/02/89/722100289.db2.gz	IAGPTFDRYAUZOO-AUSIDOKSSA-N	1	3	418.545	2.111	20	30		HEEDHO
N#Cc1c2c(cnc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979326	722100387	/nfs/dbraw/zinc/10/03/87/722100387.db2.gz	IAGPTFDRYAUZOO-WMZHIEFXSA-N	1	3	418.545	2.111	20	30		HEEDHO
N#Cc1c2c(cnc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896274	721510237	/nfs/dbraw/zinc/51/02/37/721510237.db2.gz	AJSBAUILTBVNBP-ICSRJNTNSA-N	1	3	407.493	2.470	20	30		HEEDHO
N#Cc1c2c(cnc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979328	722100155	/nfs/dbraw/zinc/10/01/55/722100155.db2.gz	IAGPTFDRYAUZOO-XXBNENTESA-N	1	3	418.545	2.111	20	30		HEEDHO
N#Cc1c2c(cnc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896273	721510274	/nfs/dbraw/zinc/51/02/74/721510274.db2.gz	AJSBAUILTBVNBP-AZUAARDMSA-N	1	3	407.493	2.470	20	30		HEEDHO
C#CCN1CCC(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)c(OC)c2)CC1	ZINC000772230602	1079752209	/nfs/dbraw/zinc/75/22/09/1079752209.db2.gz	FEVZGNDEHLSWHR-UHFFFAOYSA-N	1	3	414.550	2.051	20	30		HEEDHO