smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1CNCc1ccccc1	ZINC000000978741	219348607	/nfs/dbraw/zinc/34/86/07/219348607.db2.gz	OYGOYFNHRVZRAS-UHFFFAOYSA-N	0	3	371.440	5.043	50	5		FKBAHN
O=[N+]([O-])c1ccccc1/C=C/CN(CCc1ccccc1)Cc1ccccc1	ZINC000001226089	571172502	/nfs/dbraw/zinc/17/25/02/571172502.db2.gz	PMACTGAWUXNEAP-OQLLNIDSSA-N	0	3	372.468	5.353	50	5		FKBAHN
OCCN(Cc1ccccc1)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000001229246	570495241	/nfs/dbraw/zinc/49/52/41/570495241.db2.gz	ZWXHJEZRZRLORM-UHFFFAOYSA-N	0	3	365.476	5.579	50	5		FKBAHN
CCOC(=O)C1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000004987422	207069328	/nfs/dbraw/zinc/06/93/28/207069328.db2.gz	QOMNWBXNURRXDA-UHFFFAOYSA-N	0	3	371.480	5.359	50	5		FKBAHN
O=c1cc(CN[C@@H]2CCCc3ccccc32)c2c(ccc3ccccc32)o1	ZINC000008520431	207236341	/nfs/dbraw/zinc/23/63/41/207236341.db2.gz	WBEWKOMNXLKCJX-OAQYLSRUSA-N	0	3	355.437	5.113	50	5		FKBAHN
O=c1cc(CN[C@H]2CCCc3ccccc32)c2c(ccc3ccccc32)o1	ZINC000008520435	204333820	/nfs/dbraw/zinc/33/38/20/204333820.db2.gz	WBEWKOMNXLKCJX-NRFANRHFSA-N	0	3	355.437	5.113	50	5		FKBAHN
Fc1ccccc1N1CCN(Cc2c3ccccc3cc3ccccc32)CC1	ZINC000019632857	570896207	/nfs/dbraw/zinc/89/62/07/570896207.db2.gz	BNCAEYBIUCTOTA-UHFFFAOYSA-N	0	3	370.471	5.454	50	5		FKBAHN
c1ccc(CN2CCN(Cc3c4ccccc4cc4ccccc43)CC2)cc1	ZINC000019634629	220279924	/nfs/dbraw/zinc/27/99/24/220279924.db2.gz	JFHGGTHPUWXRPM-UHFFFAOYSA-N	0	3	366.508	5.311	50	5		FKBAHN
O=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1	ZINC000058160520	205251721	/nfs/dbraw/zinc/25/17/21/205251721.db2.gz	YNWHSVCAXPJBFT-UHFFFAOYSA-N	0	3	367.448	5.236	50	5	aggregator	FKBAHN