smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1[C@@H](O)NC(=O)N2C	ZINC000009110934	207257262	/nfs/dbraw/zinc/25/72/62/207257262.db2.gz	KCQNXGVHMQXBHR-SNVBAGLBSA-N	-2	3	364.322	-0.378	50	30		FBEAHL
CCCn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1[C@H](O)NC(=O)N2C	ZINC000009110935	485113488	/nfs/dbraw/zinc/11/34/88/485113488.db2.gz	KCQNXGVHMQXBHR-JTQLQIEISA-N	-2	3	364.322	-0.378	50	30		FBEAHL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000033330705	483773633	/nfs/dbraw/zinc/77/36/33/483773633.db2.gz	TWTWWHITPJGBDU-UHFFFAOYSA-N	-2	3	350.356	-0.220	50	30		FBEAHL
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCc2c(nc(N(C)C)[n-]c2=O)C1	ZINC000072157185	483846856	/nfs/dbraw/zinc/84/68/56/483846856.db2.gz	ZBPHNCORGUBBRS-UHFFFAOYSA-N	-2	3	354.370	-0.097	50	30		FBEAHL
O=C(C[C@@H]1NC(=O)[N-]C1=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000095461512	209053496	/nfs/dbraw/zinc/05/34/96/209053496.db2.gz	WMDMWBRBOKQEBU-NSHDSACASA-N	-2	3	352.372	-0.156	50	30		FBEAHL
C=CCN1C[C@@]2(C(=O)[O-])CN(Cc3cc(=O)n4[n-]c(C)cc4n3)C[C@H]2C1=O	ZINC000102817998	484265428	/nfs/dbraw/zinc/26/54/28/484265428.db2.gz	DNBFBUCRWXIDRF-UGSOOPFHSA-N	-2	3	371.397	-0.138	50	30		FBEAHL
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000198723450	485232094	/nfs/dbraw/zinc/23/20/94/485232094.db2.gz	RMJGFMZWJASELM-UHFFFAOYSA-N	-2	3	361.295	-0.879	50	30		FBEAHL
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C([O-])=C1C(=O)[N-]C(=S)NC1=O	ZINC000198723450	485232087	/nfs/dbraw/zinc/23/20/87/485232087.db2.gz	RMJGFMZWJASELM-UHFFFAOYSA-N	-2	3	361.295	-0.879	50	30		FBEAHL