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(c1ccc(C(=O)N2CCCNCC2)cc1)N1CCc2cccc3c2[C@@H]1CNC3=O	ZINC000045347694	581100929	/nfs/dbraw/zinc/10/09/29/581100929.db2.gz	NQXJBTPJJMSCCJ-FQEVSTJZSA-N	0	3	418.497	1.605	1	0		HDAFHN
COC(=O)[C@@H]1[C@@H]2C[C@H]3[N@@H+](C)CC[C@@]34c3cccc([O-])c3N(C(C)=O)[C@H]4[C@@H]2CO[C@H]1C	ZINC000095912040	291194638	/nfs/dbraw/zinc/19/46/38/291194638.db2.gz	ZQPCCJJZXCRROO-OECZLWBVSA-N	0	3	414.502	1.913	1	0	biogenic,in-vitro	HDAFHN
COC(=O)[C@@H]1[C@@H]2C[C@H]3[N@H+](C)CC[C@@]34c3cccc([O-])c3N(C(C)=O)[C@H]4[C@@H]2CO[C@H]1C	ZINC000095912040	291194640	/nfs/dbraw/zinc/19/46/40/291194640.db2.gz	ZQPCCJJZXCRROO-OECZLWBVSA-N	0	3	414.502	1.913	1	0	biogenic,in-vitro	HDAFHN
COc1cc(-c2nc3nc(N4CCN(C)CC4)ccc3[nH]2)c(OC)c2nc(CO)[nH]c21	ZINC000001658433	132247439	/nfs/dbraw/zinc/24/74/39/132247439.db2.gz	BARJWIXVPJSWOI-UHFFFAOYSA-N	0	3	423.477	1.763	1	0		HDAFHN
COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21	ZINC000004238559	132273357	/nfs/dbraw/zinc/27/33/57/132273357.db2.gz	ILYADHRAYXVXEU-UHFFFAOYSA-N	0	3	400.870	1.563	1	0		HDAFHN
COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O	ZINC000044602305	291196041	/nfs/dbraw/zinc/19/60/41/291196041.db2.gz	POLBLONFVZXVPI-SVFVWZOVSA-N	0	3	424.497	1.926	1	0	biogenic,in-vitro	HDAFHN
COc1cc2c(cc1OC)[C@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@@H]1[C@@H]5[C@@H]4CC3=O	ZINC000014515047	291195956	/nfs/dbraw/zinc/19/59/56/291195956.db2.gz	POLBLONFVZXVPI-BBZZDLEQSA-N	0	3	424.497	1.926	1	0	biogenic,in-vitro	HDAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C	ZINC000013581847	581095602	/nfs/dbraw/zinc/09/56/02/581095602.db2.gz	JQLNZCZBMMUFJH-YTQUADARSA-N	0	3	416.566	1.475	1	0		HDAFHN
O=C(c1cccc(C(=O)N2CCCNCC2)c1)N1CCc2cccc3c2[C@H]1CNC3=O	ZINC000045350042	581100830	/nfs/dbraw/zinc/10/08/30/581100830.db2.gz	ZPQRWSQBYNPWDX-HXUWFJFHSA-N	0	3	418.497	1.605	1	0		HDAFHN
COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3COC4=C(C(=O)OC4)[C@@H]3C[C@@H]3N(C)CC[C@@]231	ZINC000014611874	291196996	/nfs/dbraw/zinc/19/69/96/291196996.db2.gz	AEAVIJSUDOAYNT-XTNSEPEOSA-N	0	3	410.470	1.849	1	0	biogenic,in-vitro	HDAFHN
Cc1c(Cl)nc(NCCc2c[nH]cn2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028387947	581093044	/nfs/dbraw/zinc/09/30/44/581093044.db2.gz	HUWOFZSGRCUYFE-UHFFFAOYSA-N	0	3	415.885	1.680	1	0		HDAFHN
O=C(c1cccc(C(=O)N2CCCNCC2)c1)N1CCc2cccc3c2[C@@H]1CNC3=O	ZINC000045350039	581100837	/nfs/dbraw/zinc/10/08/37/581100837.db2.gz	ZPQRWSQBYNPWDX-FQEVSTJZSA-N	0	3	418.497	1.605	1	0		HDAFHN
O=C(c1ccc(C(=O)N2CCCNCC2)cc1)N1CCc2cccc3c2[C@H]1CNC3=O	ZINC000045347697	581100815	/nfs/dbraw/zinc/10/08/15/581100815.db2.gz	NQXJBTPJJMSCCJ-HXUWFJFHSA-N	0	3	418.497	1.605	1	0		HDAFHN
COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21	ZINC000004238282	132273348	/nfs/dbraw/zinc/27/33/48/132273348.db2.gz	QLHOQDDCLUVZKA-UHFFFAOYSA-N	0	3	402.405	1.188	1	0		HDAFHN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1	ZINC000013440742	581093929	/nfs/dbraw/zinc/09/39/29/581093929.db2.gz	RBXLABNLPAAXCE-UHFFFAOYSA-N	0	3	424.530	1.868	1	0		HDAFHN
Nc1nc(N2CCN3C[C@@H](Cn4ccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585860	581095974	/nfs/dbraw/zinc/09/59/74/581095974.db2.gz	PJAYVTJZMSGLEZ-CABCVRRESA-N	0	3	420.481	1.159	1	0		HDAFHN
Cc1ccc(C(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c(=O)[nH]1	ZINC000020600856	526124785	/nfs/dbraw/zinc/12/47/85/526124785.db2.gz	WQDDBKUCXNVWEC-FGZHOGPDSA-N	0	3	424.545	1.531	1	0		HDAFHN
COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(N3CCNCC3)nc21	ZINC000004238975	132273578	/nfs/dbraw/zinc/27/35/78/132273578.db2.gz	ROCDNVQGRRYZGV-UHFFFAOYSA-N	0	3	419.489	1.401	1	0		HDAFHN