smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C=C(C(=O)OC)C(C(=O)OC)C(=Nc1snnc1C(N)=O)C(=O)OC	ZINC000008750857	569473397	/nfs/dbraw/zinc/47/33/97/569473397.db2.gz	WAPLVJBXMAPOBQ-AFJQJTPPSA-N	0	1	428.379	-1.079	50	0		IAAAMN
O=C(Cn1cn[n+]([N-][N+](=O)[O-])c1)Nc1ccc(NC(=O)Cn2c[n+]([N-][N+](=O)[O-])cn2)cc1	ZINC000012374581	527393697	/nfs/dbraw/zinc/39/36/97/527393697.db2.gz	CQWBPPMEJUNXNK-UHFFFAOYSA-P	0	1	448.360	-2.598	50	0		IAAAMN
NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013541443	556696062	/nfs/dbraw/zinc/69/60/62/556696062.db2.gz	WXPZDDCNKXMOMC-AVGNSLFASA-N	0	1	425.490	-2.240	50	0	in-vitro	IAAAMN
Nc1nnc2[nH]c(=O)c(C(C(=O)c3cccc(O)c3)c3nn4c(N)nnc4[nH]c3=O)nn12	ZINC000019924514	569257155	/nfs/dbraw/zinc/25/71/55/569257155.db2.gz	KEPTXTLJQLYWME-UHFFFAOYSA-N	0	1	436.352	-2.177	50	0		IAAAMN
COc1ccccc1C(=O)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000024752264	557162614	/nfs/dbraw/zinc/16/26/14/557162614.db2.gz	RHJULRKABQGEIM-UHFFFAOYSA-N	0	1	429.389	-1.058	50	0		IAAAMN
CN1CCN(CCNC(=O)c2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)CC1	ZINC000045945834	557554296	/nfs/dbraw/zinc/55/42/96/557554296.db2.gz	KMBQHHURUUGPML-UHFFFAOYSA-N	0	1	440.464	-1.042	50	0		IAAAMN
Cn1c2[nH]c(N3CCN(C(=O)CN4CCC(C(N)=O)CC4)CC3)nc2c(=O)n(C)c1=O	ZINC000063110575	556819297	/nfs/dbraw/zinc/81/92/97/556819297.db2.gz	OLBSCJBDKLWZNL-UHFFFAOYSA-N	0	1	432.485	-2.194	50	0		IAAAMN
NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000169721030	1067883751	/nfs/dbraw/zinc/88/37/51/1067883751.db2.gz	WXPZDDCNKXMOMC-AGIUHOORSA-N	0	1	425.490	-2.240	50	0		IAAAMN