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(CNc1ccc(-c2nn[nH]n2)cn1)NNc1cc[nH+]cc1	ZINC000826414412	609263155	/nfs/dbraw/zinc/26/31/55/609263155.db2.gz	UXMRGCHQHQFQDT-UHFFFAOYSA-N	1	0	311.309	-0.366	20	50		DBGDRO
CC(C)[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735857233	944706775	/nfs/dbraw/zinc/70/67/75/944706775.db2.gz	PSOVGNPFOJDUAR-UHFFFAOYSA-N	1	0	317.353	-0.032	20	50		DBGDRO
CC[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C	ZINC000820842271	945567670	/nfs/dbraw/zinc/56/76/70/945567670.db2.gz	LJCXHUVUZRQJSM-NSHDSACASA-N	1	0	317.353	-0.032	20	50		DBGDRO
CC[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+](C)C	ZINC000820842135	945567888	/nfs/dbraw/zinc/56/78/88/945567888.db2.gz	KFSQZZFQQBBVRU-LLVKDONJSA-N	1	0	317.353	-0.032	20	50		DBGDRO
C[N@@H+]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000736847667	944898443	/nfs/dbraw/zinc/89/84/43/944898443.db2.gz	IVGNXYPBMOCBIG-LLVKDONJSA-N	1	0	315.337	-0.421	20	50		DBGDRO
CCC[N@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736473022	944829761	/nfs/dbraw/zinc/82/97/61/944829761.db2.gz	WRDIDSRQFSBAPM-UHFFFAOYSA-N	1	0	317.353	-0.031	20	50		DBGDRO
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000736847670	944897274	/nfs/dbraw/zinc/89/72/74/944897274.db2.gz	IVGNXYPBMOCBIG-NSHDSACASA-N	1	0	315.337	-0.421	20	50		DBGDRO
C[N@@H+]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000736849278	944897217	/nfs/dbraw/zinc/89/72/17/944897217.db2.gz	RBXJTWXLEZEKAR-LLVKDONJSA-N	1	0	315.337	-0.421	20	50		DBGDRO
CCC[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736472088	944829237	/nfs/dbraw/zinc/82/92/37/944829237.db2.gz	OBRPZEVQPHJOTJ-UHFFFAOYSA-N	1	0	317.353	-0.031	20	50		DBGDRO
CC[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C	ZINC000820842270	945567407	/nfs/dbraw/zinc/56/74/07/945567407.db2.gz	LJCXHUVUZRQJSM-LLVKDONJSA-N	1	0	317.353	-0.032	20	50		DBGDRO
CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+](C)C	ZINC000820842136	945568164	/nfs/dbraw/zinc/56/81/64/945568164.db2.gz	KFSQZZFQQBBVRU-NSHDSACASA-N	1	0	317.353	-0.032	20	50		DBGDRO
Cc1onc(CC(=O)NNc2cc[nH+]cc2)c1-c1nn[nH]n1	ZINC000826348456	609262637	/nfs/dbraw/zinc/26/26/37/609262637.db2.gz	NADZFXDHHRGDFE-UHFFFAOYSA-N	1	0	300.282	-0.334	20	50		DBGDRO
CC[NH+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736532366	944841000	/nfs/dbraw/zinc/84/10/00/944841000.db2.gz	BOPJKQIIGBIPPY-UHFFFAOYSA-N	1	0	317.353	-0.031	20	50		DBGDRO
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000736849282	944898592	/nfs/dbraw/zinc/89/85/92/944898592.db2.gz	RBXJTWXLEZEKAR-NSHDSACASA-N	1	0	315.337	-0.421	20	50		DBGDRO