smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216896518	536588494	/nfs/dbraw/zinc/58/84/94/536588494.db2.gz	QOESWKOZAHDTPD-UHFFFAOYSA-N	0	3	347.459	2.123	40	70		EEIBHN
CC[C@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1cnn(C)c1	ZINC000159465133	323333847	/nfs/dbraw/zinc/33/38/47/323333847.db2.gz	LQJQPDISYGNTJX-SFHVURJKSA-N	0	3	342.491	2.198	40	70		EEIBHN
CC[C@@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1cnn(C)c1	ZINC000159465262	323333884	/nfs/dbraw/zinc/33/38/84/323333884.db2.gz	LQJQPDISYGNTJX-GOSISDBHSA-N	0	3	342.491	2.198	40	70		EEIBHN
CN1CCC(CC(=O)NCc2cccc(N3CCCC3=O)c2)CC1	ZINC000216904148	241220628	/nfs/dbraw/zinc/22/06/28/241220628.db2.gz	KZNGQJVGRFKEHY-UHFFFAOYSA-N	0	3	329.444	2.162	40	70		EEIBHN
COc1ccc(CNC(=O)CC2CCN(C)CC2)c(OC)c1OC	ZINC000216898310	241220004	/nfs/dbraw/zinc/22/00/04/241220004.db2.gz	AYUBYPHWMTXVCF-UHFFFAOYSA-N	0	3	336.432	2.061	40	70		EEIBHN
CN1CCC(CC(=O)NCc2cccc(CN3CCCC3=O)c2)CC1	ZINC000216904197	241219249	/nfs/dbraw/zinc/21/92/49/241219249.db2.gz	QTZGUTXQFXXWMH-UHFFFAOYSA-N	0	3	343.471	2.157	40	70		EEIBHN
Cc1c(NC(=O)CC2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C	ZINC000216893342	241217898	/nfs/dbraw/zinc/21/78/98/241217898.db2.gz	GZYADFNQOUVFDG-UHFFFAOYSA-N	0	3	342.443	2.155	40	70		EEIBHN
CN1CCN(CCCNC(=O)CCSCc2ccccc2)CC1	ZINC000217013890	241229034	/nfs/dbraw/zinc/22/90/34/241229034.db2.gz	KKMJQAWRJHCIBW-UHFFFAOYSA-N	0	3	335.517	2.064	40	70		EEIBHN
CCN(C(=O)NC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000159445430	463287583	/nfs/dbraw/zinc/28/75/83/463287583.db2.gz	LWPCSMOZZUWSBW-GOSISDBHSA-N	0	3	331.460	2.471	40	70		EEIBHN
CN1CCC(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1	ZINC000216904246	241220176	/nfs/dbraw/zinc/22/01/76/241220176.db2.gz	XUGXOEGXQLZGQJ-UHFFFAOYSA-N	0	3	343.471	2.157	40	70		EEIBHN
CSCC[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000161084121	286670338	/nfs/dbraw/zinc/67/03/38/286670338.db2.gz	DMBSZIPMEPDVAH-SSDOTTSWSA-N	0	3	338.317	2.410	40	70		EEIBHN
CCN(C(=O)NC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000159445550	463287428	/nfs/dbraw/zinc/28/74/28/463287428.db2.gz	LWPCSMOZZUWSBW-SFHVURJKSA-N	0	3	331.460	2.471	40	70		EEIBHN
COc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1OC	ZINC000216903809	241220718	/nfs/dbraw/zinc/22/07/18/241220718.db2.gz	ACEOMLVYCQKRHE-UHFFFAOYSA-N	0	3	334.460	2.485	40	70		EEIBHN
CSCC[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000161082645	295604449	/nfs/dbraw/zinc/60/44/49/295604449.db2.gz	DMBSZIPMEPDVAH-ZETCQYMHSA-N	0	3	338.317	2.410	40	70		EEIBHN
CCc1ccc(C(=O)N2CCN(c3cnnc(N(C)C)c3)CC2)cc1	ZINC000217586157	241261095	/nfs/dbraw/zinc/26/10/95/241261095.db2.gz	ANQONUXVMFRVMD-UHFFFAOYSA-N	0	3	339.443	2.067	40	70		EEIBHN
COc1cc(CNC(=O)CC2CCN(C)CC2)cc(OC)c1OC	ZINC000216900686	241220467	/nfs/dbraw/zinc/22/04/67/241220467.db2.gz	CJXQFEHMIAWLRJ-UHFFFAOYSA-N	0	3	336.432	2.061	40	70		EEIBHN