smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)c(F)c1F	ZINC000218627575	206372531	/nfs/dbraw/zinc/37/25/31/206372531.db2.gz	FZWLBQMPCIEZHV-UHFFFAOYSA-N	0	3	358.432	3.710	50	70		FHIAHN
CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CSc2ccncc2)cc1	ZINC000218328049	521910102	/nfs/dbraw/zinc/91/01/02/521910102.db2.gz	JLFYAEAEENGRAE-FQEVSTJZSA-N	0	3	369.534	3.989	50	70		FHIAHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217200950	523044824	/nfs/dbraw/zinc/04/48/24/523044824.db2.gz	DHKVGZQTQZMXPQ-QGZVFWFLSA-N	0	3	370.468	3.819	50	70		FHIAHN
COc1cc(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)ccc1OCc1ccc(C)cc1	ZINC000217782510	522405352	/nfs/dbraw/zinc/40/53/52/522405352.db2.gz	OGBICPICJAEBPH-NPHXMPSESA-N	0	3	367.489	3.785	50	70		FHIAHN
CN(C[C@H]1CCCCN1C)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217868627	523104896	/nfs/dbraw/zinc/10/48/96/523104896.db2.gz	XQCGIVRUJKXECH-LJQANCHMSA-N	0	3	370.468	3.961	50	70		FHIAHN
O=C(COCc1ccccc1)NC[C@H](c1ccccc1)N1CCCCC1	ZINC000217721186	526941207	/nfs/dbraw/zinc/94/12/07/526941207.db2.gz	FEUWIVFZPLPSOM-OAQYLSRUSA-N	0	3	352.478	3.547	50	70		FHIAHN
CN1CCC(CNC(=O)CSc2ccccc2)(c2ccccc2)CC1	ZINC000218306013	523761056	/nfs/dbraw/zinc/76/10/56/523761056.db2.gz	YDEIVXHPKOMASV-UHFFFAOYSA-N	0	3	354.519	3.559	50	70		FHIAHN
O=C(NCc1cc(-c2ccc(F)cc2)no1)C1(N2CCCC2)CCCCC1	ZINC000218623015	568242807	/nfs/dbraw/zinc/24/28/07/568242807.db2.gz	IAFBVJMMEBDLOB-UHFFFAOYSA-N	0	3	371.456	3.896	50	70		FHIAHN
O=C(Cc1ccc(F)c(F)c1)NC[C@H](c1ccccc1)N1CCCCC1	ZINC000217075224	568142876	/nfs/dbraw/zinc/14/28/76/568142876.db2.gz	ANJMYRZWRXQDNH-HXUWFJFHSA-N	0	3	358.432	3.851	50	70		FHIAHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217200957	523116551	/nfs/dbraw/zinc/11/65/51/523116551.db2.gz	DHKVGZQTQZMXPQ-KRWDZBQOSA-N	0	3	370.468	3.819	50	70		FHIAHN
O=C(CCCC(=O)c1ccccc1)NCC1(N2CCCCC2)CCCC1	ZINC000217419858	526414807	/nfs/dbraw/zinc/41/48/07/526414807.db2.gz	FWJVJAPORPMLPF-UHFFFAOYSA-N	0	3	356.510	3.955	50	70		FHIAHN
CCN(CC)Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(-c2ccccc2)o1	ZINC000217043553	568140007	/nfs/dbraw/zinc/14/00/07/568140007.db2.gz	JBDCBNOMNOYJSJ-UHFFFAOYSA-N	0	3	366.465	3.784	50	70		FHIAHN
Cn1nc(CN2CCCN(Cc3cccs3)CC2)c2c1cccc2Cl	ZINC000218637306	568243463	/nfs/dbraw/zinc/24/34/63/568243463.db2.gz	AWJCSIFQHNRSDF-UHFFFAOYSA-N	0	3	374.941	3.996	50	70		FHIAHN
O=C(COCc1ccccc1)NC[C@@H](c1ccccc1)N1CCCCC1	ZINC000217721099	526941080	/nfs/dbraw/zinc/94/10/80/526941080.db2.gz	FEUWIVFZPLPSOM-NRFANRHFSA-N	0	3	352.478	3.547	50	70		FHIAHN
CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CSc2ccncc2)cc1	ZINC000218328123	521908508	/nfs/dbraw/zinc/90/85/08/521908508.db2.gz	JLFYAEAEENGRAE-HXUWFJFHSA-N	0	3	369.534	3.989	50	70		FHIAHN
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1Nc1ccnc2ccccc21	ZINC000218487070	526520356	/nfs/dbraw/zinc/52/03/56/526520356.db2.gz	XHQHXCQFYGCJHO-WOJBJXKFSA-N	0	3	353.422	3.626	50	70		FHIAHN
CN(C[C@@H]1CCCCN1C)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000217868540	523025903	/nfs/dbraw/zinc/02/59/03/523025903.db2.gz	XQCGIVRUJKXECH-IBGZPJMESA-N	0	3	370.468	3.961	50	70		FHIAHN
CN(Cc1ccon1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000217595924	523481475	/nfs/dbraw/zinc/48/14/75/523481475.db2.gz	HAYSJGJAJVJAOE-UHFFFAOYSA-N	0	3	361.445	3.505	50	70		FHIAHN
O=C(Cc1ccc(F)c(F)c1)NC[C@@H](c1ccccc1)N1CCCCC1	ZINC000217075190	568142857	/nfs/dbraw/zinc/14/28/57/568142857.db2.gz	ANJMYRZWRXQDNH-FQEVSTJZSA-N	0	3	358.432	3.851	50	70		FHIAHN