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(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000217807867	201526197	/nfs/dbraw/zinc/52/61/97/201526197.db2.gz	RFZGNUNTWCTWSF-MWLCHTKSSA-N	-1	1	319.766	-0.138	50	70		DBIAMM
CCCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)n[nH]1	ZINC000217956730	376600848	/nfs/dbraw/zinc/60/08/48/376600848.db2.gz	VEQCJCSZSBAOAP-UHFFFAOYSA-N	-1	1	305.338	-0.060	50	70		DBIAMM
CCCc1cc(CN(C)C(=O)Cc2cc(=O)[n-][nH]c2=O)[nH]n1	ZINC000217956730	376600853	/nfs/dbraw/zinc/60/08/53/376600853.db2.gz	VEQCJCSZSBAOAP-UHFFFAOYSA-N	-1	1	305.338	-0.060	50	70		DBIAMM
CN(C)C(=O)c1ccc(CNC(=O)Cc2cc(=O)[n-][nH]c2=O)o1	ZINC000218226730	376603418	/nfs/dbraw/zinc/60/34/18/376603418.db2.gz	VOLJACRLIOGRNK-UHFFFAOYSA-N	-1	1	320.305	-0.783	50	70		DBIAMM
Cc1nc([C@@H](C)NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)n[nH]1	ZINC000217169918	376579417	/nfs/dbraw/zinc/57/94/17/376579417.db2.gz	MBPVDBBXQXHHHF-SSDOTTSWSA-N	-1	1	316.325	-0.015	50	70		DBIAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CCO[C@@H](c2cccnc2)C1	ZINC000218369739	376608331	/nfs/dbraw/zinc/60/83/31/376608331.db2.gz	GXMXZTSIFWYWRR-GFCCVEGCSA-N	-1	1	316.317	-0.399	50	70		DBIAMM
CCCn1cnnc1[C@@H](C)NC(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000218074771	376600705	/nfs/dbraw/zinc/60/07/05/376600705.db2.gz	OMXXAIGJJKFWJI-MRVPVSSYSA-N	-1	1	306.326	-0.515	50	70		DBIAMM
Cc1nc([C@H](C)NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)n[nH]1	ZINC000217169925	376580299	/nfs/dbraw/zinc/58/02/99/376580299.db2.gz	MBPVDBBXQXHHHF-ZETCQYMHSA-N	-1	1	316.325	-0.015	50	70		DBIAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CCO[C@H](c2cccnc2)C1	ZINC000218369819	201537266	/nfs/dbraw/zinc/53/72/66/201537266.db2.gz	GXMXZTSIFWYWRR-LBPRGKRZSA-N	-1	1	316.317	-0.399	50	70		DBIAMM
CCCn1cnnc1[C@H](C)NC(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000218074870	376599843	/nfs/dbraw/zinc/59/98/43/376599843.db2.gz	OMXXAIGJJKFWJI-QMMMGPOBSA-N	-1	1	306.326	-0.515	50	70		DBIAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)N[C@H](CO)C(C)C	ZINC000218502269	382644938	/nfs/dbraw/zinc/64/49/38/382644938.db2.gz	WCIOQZGWDRRXHW-LLVKDONJSA-N	-1	1	307.354	-0.208	50	70		DBIAMM
COCc1nc(C)c(CNC(=O)Cc2cc(=O)[n-][nH]c2=O)s1	ZINC000218563098	333394060	/nfs/dbraw/zinc/39/40/60/333394060.db2.gz	IAIQHTJAULTDLY-UHFFFAOYSA-N	-1	1	324.362	-0.167	50	70		DBIAMM