smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(Cl)=C\Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009158405	571232134	/nfs/dbraw/zinc/23/21/34/571232134.db2.gz	JZESAVGXTSIWCB-GQCTYLIASA-N	-1	1	422.789	-1.290	50	30		HAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@@H](O)CO)c2c(=O)n(C)c1=O	ZINC000009281154	571244630	/nfs/dbraw/zinc/24/46/30/571244630.db2.gz	RIOUBBBTMWOTLP-RXMQYKEDSA-N	-1	1	408.331	-4.079	50	30		HAEAMM
Cn1c2nc([N-]N=C3C(=O)N(C)C(=O)N(C)C3=O)n(C[C@H](O)CO)c2c(=O)[nH]c1=O	ZINC000009849195	571288231	/nfs/dbraw/zinc/28/82/31/571288231.db2.gz	BUETWLAULDWTCN-LURJTMIESA-N	-1	1	422.358	-3.405	50	30		HAEAMM
Cn1c2nc([N-]N=C3C(=O)N(C)C(=O)N(C)C3=O)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O	ZINC000009849196	571288192	/nfs/dbraw/zinc/28/81/92/571288192.db2.gz	BUETWLAULDWTCN-ZCFIWIBFSA-N	-1	1	422.358	-3.405	50	30		HAEAMM
Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	ZINC000009849208	571288203	/nfs/dbraw/zinc/28/82/03/571288203.db2.gz	UQNUSRJNYCGFMR-UHFFFAOYSA-N	-1	1	424.377	-1.384	50	30		HAEAMM
C[C@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000010272087	557260565	/nfs/dbraw/zinc/26/05/65/557260565.db2.gz	SXXHKTUAGOSGJP-ZETCQYMHSA-N	-1	1	420.386	-2.367	50	30		HAEAMM
C[C@@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000010272088	557260445	/nfs/dbraw/zinc/26/04/45/557260445.db2.gz	SXXHKTUAGOSGJP-SSDOTTSWSA-N	-1	1	420.386	-2.367	50	30		HAEAMM
C=CCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S	ZINC000013174126	568998491	/nfs/dbraw/zinc/99/84/91/568998491.db2.gz	GSRHEKBRXOCFAQ-FPLPWBNLSA-N	-1	1	418.439	-1.800	50	30		HAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@H](O)CO)c2c(=O)n(C)c1=O	ZINC000017206021	558825670	/nfs/dbraw/zinc/82/56/70/558825670.db2.gz	RIOUBBBTMWOTLP-YFKPBYRVSA-N	-1	1	408.331	-3.239	50	30		HAEAMM
[NH3+][C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1OS(=O)(=O)[O-])[C@H](O)CO	ZINC000102187472	559149556	/nfs/dbraw/zinc/14/95/56/559149556.db2.gz	WRQFMPHZWNXICI-FXORJUKFSA-N	-1	1	417.345	-4.514	50	30		HAEAMM
[NH3+][C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@H](O)COS(=O)(=O)[O-]	ZINC000102187483	559149574	/nfs/dbraw/zinc/14/95/74/559149574.db2.gz	XECORLGNFRZQKY-FXORJUKFSA-N	-1	1	417.345	-4.514	50	30		HAEAMM