smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H](C)n1cncn1)CC2	ZINC000217706709	376596262	/nfs/dbraw/zinc/59/62/62/376596262.db2.gz	AQNFANCDYNAXGK-SECBINFHSA-N	-1	3	302.338	-0.142	50	70		DBIAHM
COc1ccc(CC(=O)NCc2c[nH]c(=O)[n-]c2=O)c(OC)c1	ZINC000218736237	376610355	/nfs/dbraw/zinc/61/03/55/376610355.db2.gz	IGGXKJCWEQDVKV-UHFFFAOYSA-N	-1	3	319.317	-0.061	50	70		DBIAHM
CCCc1cc(CN(C)C(=O)Cc2cc(=O)[n-][nH]c2=O)n[nH]1	ZINC000217956730	376600856	/nfs/dbraw/zinc/60/08/56/376600856.db2.gz	VEQCJCSZSBAOAP-UHFFFAOYSA-N	-1	3	305.338	-0.060	50	70		DBIAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCn1cnnn1)CC2	ZINC000216955947	376575513	/nfs/dbraw/zinc/57/55/13/376575513.db2.gz	XEPSURAXRYXHDQ-UHFFFAOYSA-N	-1	3	303.326	-0.918	50	70		DBIAHM
Nc1nc(CC(=O)N2CCCn3nc(CO)cc3C2)cc(=O)[n-]1	ZINC000217974769	201530149	/nfs/dbraw/zinc/53/01/49/201530149.db2.gz	IIYUUFGETHONIC-UHFFFAOYSA-N	-1	3	318.337	-0.984	50	70		DBIAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H](C)n1cncn1)CC2	ZINC000217706795	376596291	/nfs/dbraw/zinc/59/62/91/376596291.db2.gz	AQNFANCDYNAXGK-VIFPVBQESA-N	-1	3	302.338	-0.142	50	70		DBIAHM
Cc1cc(C)n(CCCNC(=O)c2cn(C)c(=O)[n-]c2=O)n1	ZINC000216983648	376575958	/nfs/dbraw/zinc/57/59/58/376575958.db2.gz	WBBZQTKQJVVREO-UHFFFAOYSA-N	-1	3	305.338	-0.293	50	70		DBIAHM
Cc1ncc(C(=O)NCc2nnnn2-c2ccccc2)c(=O)[n-]1	ZINC000217756013	376595761	/nfs/dbraw/zinc/59/57/61/376595761.db2.gz	HCNBQTVYLDNXFX-UHFFFAOYSA-N	-1	3	311.305	-0.016	50	70		DBIAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)c1scc2c1OCCO2	ZINC000217781708	376595971	/nfs/dbraw/zinc/59/59/71/376595971.db2.gz	QQRBFSOVPYQXJB-UHFFFAOYSA-N	-1	3	309.303	-0.174	50	70		DBIAHM
COc1ccc(C(=O)NCc2c[nH]c(=O)[n-]c2=O)c(OC)n1	ZINC000217394814	376587177	/nfs/dbraw/zinc/58/71/77/376587177.db2.gz	IQQKVCKKGXZICZ-UHFFFAOYSA-N	-1	3	306.278	-0.595	50	70		DBIAHM
COc1ccc(C[C@H](N)C(=O)NCCc2n[nH]c(=O)[n-]2)cc1	ZINC000218075653	376600750	/nfs/dbraw/zinc/60/07/50/376600750.db2.gz	ZWQGQNAOGBDLJG-NSHDSACASA-N	-1	3	305.338	-0.665	50	70		DBIAHM
Cc1[nH]c2cc(=O)[n-]n2c(=O)c1CCC(=O)N[C@H](CO)C(C)C	ZINC000218451818	382644698	/nfs/dbraw/zinc/64/46/98/382644698.db2.gz	XRPOTZRITHQYJN-LLVKDONJSA-N	-1	3	322.365	-0.310	50	70		DBIAHM
Cc1nnc(CN2CCN(c3cc(=O)[n-]cn3)C[C@@H](O)C2)[nH]1	ZINC000217058353	376577704	/nfs/dbraw/zinc/57/77/04/376577704.db2.gz	TYEOCPOTKSZTGN-JTQLQIEISA-N	-1	3	305.342	-0.708	50	70		DBIAHM
O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000218226694	382643472	/nfs/dbraw/zinc/64/34/72/382643472.db2.gz	UXWQLHZVOVFTFQ-UHFFFAOYSA-N	-1	3	319.321	-0.061	50	70		DBIAHM
CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000218453982	376608604	/nfs/dbraw/zinc/60/86/04/376608604.db2.gz	HWYKBDKJVJPHQE-ZYHUDNBSSA-N	-1	3	323.349	-0.067	50	70		DBIAHM
Cc1nc(C)c(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)c(=O)[n-]1	ZINC000218572875	257273830	/nfs/dbraw/zinc/27/38/30/257273830.db2.gz	ZRVJIDYXBFSTSO-KBPBESRZSA-N	-1	3	320.393	-0.091	50	70		DBIAHM