smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC[C@H](C(=O)N2CC(=O)Nc3ccccc32)C1	ZINC000216909853	262341974	/nfs/dbraw/zinc/34/19/74/262341974.db2.gz	ZHEPTZGPBWQTEF-NSHDSACASA-N	0	3	273.336	1.314	40	70		CDIBHN
COC(=O)C1CCN(C(=O)CC2CCN(C)CC2)CC1	ZINC000216900188	358968846	/nfs/dbraw/zinc/96/88/46/358968846.db2.gz	FQMGUUCREYTCMI-UHFFFAOYSA-N	0	3	282.384	1.130	40	70		CDIBHN
Cc1nc(Cc2ccc(Cl)cc2)[n-]c(=O)c1C[NH3+]	ZINC000217009059	358974691	/nfs/dbraw/zinc/97/46/91/358974691.db2.gz	RBRJCUSNPOLJDT-UHFFFAOYSA-N	0	3	263.728	1.781	40	70		CDIBHN
CN1CCC(C(=O)NCCSCc2ccco2)CC1	ZINC000216920077	530047985	/nfs/dbraw/zinc/04/79/85/530047985.db2.gz	LPRPKUYOUQRLLZ-UHFFFAOYSA-N	0	3	282.409	1.971	40	70		CDIBHN
COc1ccc(CN(C)C(=O)C2CCN(C)CC2)cc1	ZINC000216921409	533520501	/nfs/dbraw/zinc/52/05/01/533520501.db2.gz	RAHBCTXWEZZSIX-UHFFFAOYSA-N	0	3	276.380	1.995	40	70		CDIBHN
CN(C(=O)C1CCN(C)CC1)[C@@H]1CCCC[C@H]1O	ZINC000216923428	358970194	/nfs/dbraw/zinc/97/01/94/358970194.db2.gz	DDAOKWHYNHFATC-CHWSQXEVSA-N	0	3	254.374	1.090	40	70		CDIBHN
CN1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1	ZINC000216941060	189707286	/nfs/dbraw/zinc/70/72/86/189707286.db2.gz	GVLLAIBLECRCDR-UHFFFAOYSA-N	0	3	298.408	1.209	40	70		CDIBHN
CN(C)C(=O)OCCN1CCC(C2CCOCC2)CC1	ZINC000159482629	345071534	/nfs/dbraw/zinc/07/15/34/345071534.db2.gz	YOKZQJWYHOIVKY-UHFFFAOYSA-N	0	3	284.400	1.823	40	70		CDIBHN
C[N@@H+]1CCc2nc(Cc3ccccc3)[n-]c(=O)c2C1	ZINC000216845247	262341088	/nfs/dbraw/zinc/34/10/88/262341088.db2.gz	UJXXOGFUKSQLOU-UHFFFAOYSA-N	0	3	255.321	1.349	40	70		CDIBHN
C[N@H+]1CCc2nc(Cc3ccccc3)[n-]c(=O)c2C1	ZINC000216845247	262341089	/nfs/dbraw/zinc/34/10/89/262341089.db2.gz	UJXXOGFUKSQLOU-UHFFFAOYSA-N	0	3	255.321	1.349	40	70		CDIBHN
CN1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1	ZINC000216920966	273867856	/nfs/dbraw/zinc/86/78/56/273867856.db2.gz	XKXHAKQIKANZRB-UHFFFAOYSA-N	0	3	273.336	1.314	40	70		CDIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2C(N)=O)C1	ZINC000216910998	262341676	/nfs/dbraw/zinc/34/16/76/262341676.db2.gz	ZHBZMVLPALFFSE-SNVBAGLBSA-N	0	3	261.325	1.066	40	70		CDIBHN
CN1CCC(CC(=O)N2CC(=O)Nc3ccccc32)CC1	ZINC000216896263	189706749	/nfs/dbraw/zinc/70/67/49/189706749.db2.gz	UNWQELBSRZICBP-UHFFFAOYSA-N	0	3	287.363	1.704	40	70		CDIBHN
CN(CCC1CCOCC1)C(=O)[C@H](N)Cc1ccccc1	ZINC000161403198	373521384	/nfs/dbraw/zinc/52/13/84/373521384.db2.gz	HOJXUQFRKGQIRV-MRXNPFEDSA-N	0	3	290.407	1.832	40	70		CDIBHN
CC(C)OCCCNC(=O)CC1CCN(C)CC1	ZINC000216895283	358967944	/nfs/dbraw/zinc/96/79/44/358967944.db2.gz	QDANJDDSLSAIAI-UHFFFAOYSA-N	0	3	256.390	1.650	40	70		CDIBHN
CN(CCC1CCOCC1)C(=O)[C@@H](N)Cc1ccccc1	ZINC000161402369	188525259	/nfs/dbraw/zinc/52/52/59/188525259.db2.gz	HOJXUQFRKGQIRV-INIZCTEOSA-N	0	3	290.407	1.832	40	70		CDIBHN
CN1CCC(C(=O)NCCSC(C)(C)C)CC1	ZINC000216920110	358970212	/nfs/dbraw/zinc/97/02/12/358970212.db2.gz	SFUWTQRIHZPSOZ-UHFFFAOYSA-N	0	3	258.431	1.976	40	70		CDIBHN
COc1ccccc1CN(C)C(=O)C1CCN(C)CC1	ZINC000216923394	358970695	/nfs/dbraw/zinc/97/06/95/358970695.db2.gz	XCVMFHNGMSYISP-UHFFFAOYSA-N	0	3	276.380	1.995	40	70		CDIBHN
CN1CCC(CC(=O)NCCCn2ccnc2)CC1	ZINC000216897651	358967956	/nfs/dbraw/zinc/96/79/56/358967956.db2.gz	MAQRNLZOAOGYOV-UHFFFAOYSA-N	0	3	264.373	1.121	40	70		CDIBHN
CN1CCC[C@@H](C(=O)N2CC(=O)Nc3ccccc32)C1	ZINC000216909824	262341640	/nfs/dbraw/zinc/34/16/40/262341640.db2.gz	ZHEPTZGPBWQTEF-LLVKDONJSA-N	0	3	273.336	1.314	40	70		CDIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2C(N)=O)C1	ZINC000216911036	262341830	/nfs/dbraw/zinc/34/18/30/262341830.db2.gz	ZHBZMVLPALFFSE-JTQLQIEISA-N	0	3	261.325	1.066	40	70		CDIBHN
CN(CCNC(=O)CC1CCN(C)CC1)c1ccccc1	ZINC000216900586	358968149	/nfs/dbraw/zinc/96/81/49/358968149.db2.gz	FEFGMVWSDMVIIR-UHFFFAOYSA-N	0	3	289.423	1.971	40	70		CDIBHN
COc1ccc(C(=O)NC2CCN(C)CC2)cc1C	ZINC000216842710	262341139	/nfs/dbraw/zinc/34/11/39/262341139.db2.gz	XARYZTUFYIVDOC-UHFFFAOYSA-N	0	3	262.353	1.828	40	70		CDIBHN
CN(C(=O)CC1CCN(C)CC1)[C@@H]1CCCC[C@H]1O	ZINC000216902930	189706806	/nfs/dbraw/zinc/70/68/06/189706806.db2.gz	ZHHXILPDPZRXTP-ZIAGYGMSSA-N	0	3	268.401	1.480	40	70		CDIBHN
CN1CCC(Oc2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000216941037	358971203	/nfs/dbraw/zinc/97/12/03/358971203.db2.gz	UHZHHMYHHADXEB-UHFFFAOYSA-N	0	3	284.381	1.531	40	70		CDIBHN