smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(CCNC(=O)CSc2nnc(N)s2)n1	ZINC000216914351	241224018	/nfs/dbraw/zinc/22/40/18/241224018.db2.gz	DADPSFYFGSBRHP-UHFFFAOYSA-N	-1	3	326.407	-0.037	50	70		EBIAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)c1ccccc1N1CCOCC1	ZINC000217848139	241279656	/nfs/dbraw/zinc/27/96/56/241279656.db2.gz	QWDWCOUKNCHISW-UHFFFAOYSA-N	-1	3	330.344	-0.170	50	70		EBIAHM
Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000217373885	378425952	/nfs/dbraw/zinc/42/59/52/378425952.db2.gz	IVCOZXWZNBGINI-IEBDPFPHSA-N	-1	3	330.344	-0.163	50	70		EBIAHM
C[C@@H](O)c1cc2n(n1)CCN(Cc1nc3c(cnn3C)c(=O)[n-]1)C2	ZINC000217875953	241280791	/nfs/dbraw/zinc/28/07/91/241280791.db2.gz	PTDBAELLQULFST-SECBINFHSA-N	-1	3	329.364	-0.078	50	70		EBIAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nncn1CCc1ccccc1	ZINC000217167998	241239703	/nfs/dbraw/zinc/23/97/03/241239703.db2.gz	AGMHEQBMVYUHRC-LBPRGKRZSA-N	-1	3	342.359	-0.265	50	70		EBIAHM
CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc2n[n-]nc2c1	ZINC000218419831	241321714	/nfs/dbraw/zinc/32/17/14/241321714.db2.gz	VBRPHRSUBJGZQD-KGLIPLIRSA-N	-1	3	347.375	-0.050	50	70		EBIAHM
Cc1ncc(CO)c(CN2CCn3nc([C@H](O)CO)cc3C2)c1[O-]	ZINC000217962349	241287747	/nfs/dbraw/zinc/28/77/47/241287747.db2.gz	RJSBZJRMIJXIJB-OAHLLOKOSA-N	-1	3	334.376	-0.174	50	70		EBIAHM
COc1cc2c(cc1CNC(=O)c1cn(C)c(=O)[n-]c1=O)OCCO2	ZINC000218166815	241301399	/nfs/dbraw/zinc/30/13/99/241301399.db2.gz	VYKCMVPXBYGQPG-UHFFFAOYSA-N	-1	3	347.327	-0.217	50	70		EBIAHM
Cn1ncc2c1nc(CN1CCCn3nc(CO)cc3C1)[n-]c2=O	ZINC000216912556	241219184	/nfs/dbraw/zinc/21/91/84/241219184.db2.gz	KJEOGRNNANHISD-UHFFFAOYSA-N	-1	3	329.364	-0.249	50	70		EBIAHM
O=C(CN1CC(=O)[N-]C1=O)NCCc1nc(-c2cccnc2)no1	ZINC000217930031	241286281	/nfs/dbraw/zinc/28/62/81/241286281.db2.gz	QLALDXIBOGQFRX-UHFFFAOYSA-N	-1	3	330.304	-0.658	50	70		EBIAHM
Cc1ncc(CO)c(CN2CCn3nc([C@@H](O)CO)cc3C2)c1[O-]	ZINC000217962268	241287598	/nfs/dbraw/zinc/28/75/98/241287598.db2.gz	RJSBZJRMIJXIJB-HNNXBMFYSA-N	-1	3	334.376	-0.174	50	70		EBIAHM
CC(C)(NC(=O)c1cccs1)C(=O)NCc1c[nH]c(=O)[n-]c1=O	ZINC000218579578	535244116	/nfs/dbraw/zinc/24/41/16/535244116.db2.gz	DRZFCGAHISFOND-UHFFFAOYSA-N	-1	3	336.373	-0.051	50	70		EBIAHM
O=C(COc1ncnc2ccccc21)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217400637	241249297	/nfs/dbraw/zinc/24/92/97/241249297.db2.gz	JHBWLQPCLKGAPQ-UHFFFAOYSA-N	-1	3	327.300	-0.298	50	70		EBIAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1nncn1CCc1ccccc1	ZINC000217168008	241239331	/nfs/dbraw/zinc/23/93/31/241239331.db2.gz	AGMHEQBMVYUHRC-GFCCVEGCSA-N	-1	3	342.359	-0.265	50	70		EBIAHM
C[C@H](O)c1cc2n(n1)CCN(Cc1nc3c(cnn3C)c(=O)[n-]1)C2	ZINC000217876021	241280774	/nfs/dbraw/zinc/28/07/74/241280774.db2.gz	PTDBAELLQULFST-VIFPVBQESA-N	-1	3	329.364	-0.078	50	70		EBIAHM
CNC(=O)c1ccc(CN2CCN(c3cc(=O)[n-]cn3)C[C@@H](O)C2)o1	ZINC000217173153	536422628	/nfs/dbraw/zinc/42/26/28/536422628.db2.gz	MFDYNKRJWFKABY-NSHDSACASA-N	-1	3	347.375	-0.182	50	70		EBIAHM