smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](CCCNC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1	ZINC000225732654	571059938	/nfs/dbraw/zinc/05/99/38/571059938.db2.gz	ATAIMCXZRKBRPY-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1	ZINC000225732654	571059942	/nfs/dbraw/zinc/05/99/42/571059942.db2.gz	ATAIMCXZRKBRPY-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CCOc1ccc(NC(=S)NCCC[N@H+](CC)c2ccc(C)cc2)cc1	ZINC000225733141	571060376	/nfs/dbraw/zinc/06/03/76/571060376.db2.gz	RZEKBEQLWNHSQJ-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
CCOc1ccc(NC(=S)NCCC[N@@H+](CC)c2ccc(C)cc2)cc1	ZINC000225733141	571060380	/nfs/dbraw/zinc/06/03/80/571060380.db2.gz	RZEKBEQLWNHSQJ-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
Cc1c(C)c(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874685	571234146	/nfs/dbraw/zinc/23/41/46/571234146.db2.gz	DOMFEXXCUQKJJT-IVZQSRNASA-N	1	2	355.478	4.516	40	10		FJCBLO
Cc1c(C)c(=O)oc2c1ccc(O)c2C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874685	571234148	/nfs/dbraw/zinc/23/41/48/571234148.db2.gz	DOMFEXXCUQKJJT-IVZQSRNASA-N	1	2	355.478	4.516	40	10		FJCBLO
CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(-n2c(C)ccc2C)c1	ZINC000035316460	204240230	/nfs/dbraw/zinc/24/02/30/204240230.db2.gz	ZGZMNNMZWFVKRI-UHFFFAOYSA-N	1	2	372.472	4.645	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1	ZINC000225732615	571060016	/nfs/dbraw/zinc/06/00/16/571060016.db2.gz	QCEGGMGQZIESLP-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1	ZINC000225732615	571060017	/nfs/dbraw/zinc/06/00/17/571060017.db2.gz	QCEGGMGQZIESLP-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CCOc1ccccc1NC(=S)NCCC[N@H+](CC)c1ccc(C)cc1	ZINC000225733095	571060393	/nfs/dbraw/zinc/06/03/93/571060393.db2.gz	VLWLBMSTVRKAEX-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
CCOc1ccccc1NC(=S)NCCC[N@@H+](CC)c1ccc(C)cc1	ZINC000225733095	571060396	/nfs/dbraw/zinc/06/03/96/571060396.db2.gz	VLWLBMSTVRKAEX-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
Cc1c(C)c(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079191038	571090509	/nfs/dbraw/zinc/09/05/09/571090509.db2.gz	DOMFEXXCUQKJJT-NYHFZMIOSA-N	1	2	355.478	4.516	40	10		FJCBLO
Cc1c(C)c(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079191038	571090512	/nfs/dbraw/zinc/09/05/12/571090512.db2.gz	DOMFEXXCUQKJJT-NYHFZMIOSA-N	1	2	355.478	4.516	40	10		FJCBLO
Cc1ccc2ccc([C@H](Nc3cccc[nH+]3)c3ccccc3O)c(O)c2n1	ZINC000005813059	204225752	/nfs/dbraw/zinc/22/57/52/204225752.db2.gz	UWUPJGVNWGNXAG-OAQYLSRUSA-N	1	2	357.413	4.551	40	10		FJCBLO
Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccccc3O)c(O)c2n1	ZINC000005813062	571271169	/nfs/dbraw/zinc/27/11/69/571271169.db2.gz	UWUPJGVNWGNXAG-NRFANRHFSA-N	1	2	357.413	4.551	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1	ZINC000225732827	571060416	/nfs/dbraw/zinc/06/04/16/571060416.db2.gz	MVUUPHUHCRKJQC-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1	ZINC000225732827	571060418	/nfs/dbraw/zinc/06/04/18/571060418.db2.gz	MVUUPHUHCRKJQC-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO
CCc1ccc(NC(=S)NCCC[N@@H+](CC)c2ccc(C)cc2)cc1	ZINC000225733292	571060296	/nfs/dbraw/zinc/06/02/96/571060296.db2.gz	RSBMJHZIYREUBJ-UHFFFAOYSA-N	1	2	355.551	4.760	40	10		FJCBLO
CCc1ccc(NC(=S)NCCC[N@H+](CC)c2ccc(C)cc2)cc1	ZINC000225733292	571060302	/nfs/dbraw/zinc/06/03/02/571060302.db2.gz	RSBMJHZIYREUBJ-UHFFFAOYSA-N	1	2	355.551	4.760	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1	ZINC000225732561	571060053	/nfs/dbraw/zinc/06/00/53/571060053.db2.gz	OHNNWLWMNUXDQR-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1	ZINC000225732561	571060054	/nfs/dbraw/zinc/06/00/54/571060054.db2.gz	OHNNWLWMNUXDQR-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1	ZINC000225732691	571060062	/nfs/dbraw/zinc/06/00/62/571060062.db2.gz	FLCPHWJRCGGPBF-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1	ZINC000225732691	571060063	/nfs/dbraw/zinc/06/00/63/571060063.db2.gz	FLCPHWJRCGGPBF-UHFFFAOYSA-N	1	2	355.551	4.815	40	10		FJCBLO
CCOc1cccc(NC(=S)NCCC[N@H+](CC)c2ccc(C)cc2)c1	ZINC000225734260	571060315	/nfs/dbraw/zinc/06/03/15/571060315.db2.gz	NEZNLMKTFWIMKT-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
CCOc1cccc(NC(=S)NCCC[N@@H+](CC)c2ccc(C)cc2)c1	ZINC000225734260	571060320	/nfs/dbraw/zinc/06/03/20/571060320.db2.gz	NEZNLMKTFWIMKT-UHFFFAOYSA-N	1	2	371.550	4.597	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1	ZINC000225732874	571060445	/nfs/dbraw/zinc/06/04/45/571060445.db2.gz	LVXJFHZMLKXTCH-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1	ZINC000225732874	571060447	/nfs/dbraw/zinc/06/04/47/571060447.db2.gz	LVXJFHZMLKXTCH-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO
CC[N@H+](CCCNC(=S)Nc1ccccc1Cl)c1ccc(C)cc1	ZINC000225732778	571059976	/nfs/dbraw/zinc/05/99/76/571059976.db2.gz	WJIXXIMRFGJGIS-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO
CC[N@@H+](CCCNC(=S)Nc1ccccc1Cl)c1ccc(C)cc1	ZINC000225732778	571059978	/nfs/dbraw/zinc/05/99/78/571059978.db2.gz	WJIXXIMRFGJGIS-UHFFFAOYSA-N	1	2	361.942	4.851	40	10		FJCBLO