smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)C[NH+]1CC(CNC(=O)c2c(C)nc[nH]c2=O)C1	ZINC001268867763	775426879	/nfs/dbraw/zinc/42/68/79/775426879.db2.gz	UJZVRHJPLLIVGL-UHFFFAOYSA-N	-1	2	317.349	-1.098	20	30		DAEDLM
C[C@@H](C#N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001179889387	781663268	/nfs/dbraw/zinc/66/32/68/781663268.db2.gz	XAFRSMJPECQDTA-VKHMYHEASA-N	-1	2	302.272	-1.492	20	30		DAEDLM
COC[C@@]1(C(=O)[O-])CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001574141445	962578250	/nfs/dbraw/zinc/57/82/50/962578250.db2.gz	NHVJLEHCZQCSON-CYBMUJFWSA-N	-1	2	308.294	-1.127	20	30		DAEDLM
C=CCOC[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC001588856265	984398509	/nfs/dbraw/zinc/39/85/09/984398509.db2.gz	FYWXNJSHXHZRJK-SECBINFHSA-N	-1	2	321.293	-1.157	20	30		DAEDLM
COC[C@]1(C(=O)[O-])CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001574141448	962578197	/nfs/dbraw/zinc/57/81/97/962578197.db2.gz	NHVJLEHCZQCSON-ZDUSSCGKSA-N	-1	2	308.294	-1.127	20	30		DAEDLM
C#C[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C#C)CO	ZINC000854770919	663903755	/nfs/dbraw/zinc/90/37/55/663903755.db2.gz	QEEQXBVSBNXORI-YUMQZZPRSA-N	-1	2	324.230	-1.522	20	30		DAEDLM
C[C@H](C#N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001179889329	781662827	/nfs/dbraw/zinc/66/28/27/781662827.db2.gz	XAFRSMJPECQDTA-GSVOUGTGSA-N	-1	2	302.272	-1.492	20	30		DAEDLM
C#C[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C#C)CO	ZINC000854770917	663903940	/nfs/dbraw/zinc/90/39/40/663903940.db2.gz	QEEQXBVSBNXORI-HTQZYQBOSA-N	-1	2	324.230	-1.522	20	30		DAEDLM
COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1	ZINC001219855332	780157657	/nfs/dbraw/zinc/15/76/57/780157657.db2.gz	XKMYIZONGJRTES-NEPJUHHUSA-N	-1	2	306.322	-1.393	20	30		DAEDLM
C=CCOC[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC001588856270	984398154	/nfs/dbraw/zinc/39/81/54/984398154.db2.gz	FYWXNJSHXHZRJK-VIFPVBQESA-N	-1	2	321.293	-1.157	20	30		DAEDLM
O=C1[N-]C(=O)/C(=N\NS(=O)(=O)c2ccc(F)cc2)C(=O)N1	ZINC000814224401	663850789	/nfs/dbraw/zinc/85/07/89/663850789.db2.gz	FQHRIVVBIMRWDK-UHFFFAOYSA-N	-1	2	314.254	-1.174	20	30		DAEDLM
O=C1[N-]C(=O)/C(=N/NS(=O)(=O)c2ccc(F)cc2)C(=O)N1	ZINC000814224401	663850790	/nfs/dbraw/zinc/85/07/90/663850790.db2.gz	FQHRIVVBIMRWDK-UHFFFAOYSA-N	-1	2	314.254	-1.174	20	30		DAEDLM