smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216909458	402289938	/nfs/dbraw/zinc/28/99/38/402289938.db2.gz	PCGBPYREZADQOJ-ZDUSSCGKSA-N	0	3	303.406	2.107	40	70		DEIBHN
COc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1	ZINC000216898970	257232775	/nfs/dbraw/zinc/23/27/75/257232775.db2.gz	CQHYKEOFZRQKTA-UHFFFAOYSA-N	0	3	304.434	2.476	40	70		DEIBHN
CN1CCC(CC(=O)NCc2ccc(-n3ccnc3)cc2)CC1	ZINC000216901191	402290357	/nfs/dbraw/zinc/29/03/57/402290357.db2.gz	HSEUBNUSOFEXQQ-UHFFFAOYSA-N	0	3	312.417	2.220	40	70		DEIBHN
CN1CCC(CC(=O)NCCCN2CCc3ccccc32)CC1	ZINC000216899020	402290080	/nfs/dbraw/zinc/29/00/80/402290080.db2.gz	NDZDQBUUAVURQD-UHFFFAOYSA-N	0	3	315.461	2.287	40	70		DEIBHN
COc1ccc(OC[C@@H](C)NC(=O)CC2CCN(C)CC2)cc1	ZINC000216899346	402289915	/nfs/dbraw/zinc/28/99/15/402289915.db2.gz	KVVIJFBDJIADSL-CQSZACIVSA-N	0	3	320.433	2.311	40	70		DEIBHN
CN1CCC[C@H](c2nc(CCCNC(=O)OC(C)(C)C)no2)C1	ZINC000218377402	257131055	/nfs/dbraw/zinc/13/10/55/257131055.db2.gz	HJRIMOADGAKPHG-LBPRGKRZSA-N	0	3	324.425	2.336	40	70		DEIBHN
CCOC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1C	ZINC000216922186	402290204	/nfs/dbraw/zinc/29/02/04/402290204.db2.gz	XYOUAWLMNVTQAN-UHFFFAOYSA-N	0	3	304.390	2.452	40	70		DEIBHN
COc1ccccc1CCCNC(=O)CC1CCN(C)CC1	ZINC000216898875	402289946	/nfs/dbraw/zinc/28/99/46/402289946.db2.gz	YLBVLXHVJGYCSA-UHFFFAOYSA-N	0	3	304.434	2.476	40	70		DEIBHN
COC(=O)c1cccc(NC(=O)CC2CCN(C)CC2)c1C	ZINC000216895231	201502079	/nfs/dbraw/zinc/50/20/79/201502079.db2.gz	YQCAYTYDUYVBPU-UHFFFAOYSA-N	0	3	304.390	2.452	40	70		DEIBHN
CC(C)NC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216894273	402290292	/nfs/dbraw/zinc/29/02/92/402290292.db2.gz	BVBSWZBDIBQDEZ-UHFFFAOYSA-N	0	3	317.433	2.495	40	70		DEIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)C1	ZINC000216907982	402290257	/nfs/dbraw/zinc/29/02/57/402290257.db2.gz	MDYUWFCVILHVKX-CQSZACIVSA-N	0	3	315.417	2.203	40	70		DEIBHN
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216907829	402289895	/nfs/dbraw/zinc/28/98/95/402289895.db2.gz	YFVCWHPKZVKKMJ-CYBMUJFWSA-N	0	3	303.406	2.105	40	70		DEIBHN
CN1CCC(c2nc(CCCNC(=O)OC(C)(C)C)no2)CC1	ZINC000218377097	257130469	/nfs/dbraw/zinc/13/04/69/257130469.db2.gz	YVSCWVNMMKBFBE-UHFFFAOYSA-N	0	3	324.425	2.336	40	70		DEIBHN
CCCNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1	ZINC000216920734	201503677	/nfs/dbraw/zinc/50/36/77/201503677.db2.gz	KIXCYQITUAZHLS-UHFFFAOYSA-N	0	3	303.406	2.107	40	70		DEIBHN
CN1CCC(CC(=O)NCc2ccccc2-n2ccnc2)CC1	ZINC000216901088	402289935	/nfs/dbraw/zinc/28/99/35/402289935.db2.gz	QBWAMSCYDZYKSP-UHFFFAOYSA-N	0	3	312.417	2.220	40	70		DEIBHN
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216907860	402289996	/nfs/dbraw/zinc/28/99/96/402289996.db2.gz	YFVCWHPKZVKKMJ-ZDUSSCGKSA-N	0	3	303.406	2.105	40	70		DEIBHN
CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(C)C2)c1	ZINC000216913180	402290375	/nfs/dbraw/zinc/29/03/75/402290375.db2.gz	MMDHOJWWASUQBK-AWEZNQCLSA-N	0	3	304.390	2.452	40	70		DEIBHN
CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216909431	402290404	/nfs/dbraw/zinc/29/04/04/402290404.db2.gz	PCGBPYREZADQOJ-CYBMUJFWSA-N	0	3	303.406	2.107	40	70		DEIBHN
CN1CCC(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1	ZINC000216902327	402289985	/nfs/dbraw/zinc/28/99/85/402289985.db2.gz	IDWIWWHTSKFSCU-UHFFFAOYSA-N	0	3	315.417	2.484	40	70		DEIBHN
CCSc1ccccc1C(=O)NCCCN1CCN(C)CC1	ZINC000217036729	402290659	/nfs/dbraw/zinc/29/06/59/402290659.db2.gz	JBBXSPAHJLRDDD-UHFFFAOYSA-N	0	3	321.490	2.166	40	70		DEIBHN
CCOc1ccc(CNC(=O)C2CCN(C)CC2)cc1OCC	ZINC000216921607	201503169	/nfs/dbraw/zinc/50/31/69/201503169.db2.gz	FDTWMYSPKZCUFB-UHFFFAOYSA-N	0	3	320.433	2.442	40	70		DEIBHN
CCOc1ccccc1CCCNC(=O)C1CCN(C)CC1	ZINC000216922083	402289932	/nfs/dbraw/zinc/28/99/32/402289932.db2.gz	JKQISHAPPPFZCI-UHFFFAOYSA-N	0	3	304.434	2.476	40	70		DEIBHN
Cc1nc(-c2cccnc2)sc1C(=O)NC1CCN(C)CC1	ZINC000216843920	402290120	/nfs/dbraw/zinc/29/01/20/402290120.db2.gz	FGAVGOPEDKUTAX-UHFFFAOYSA-N	0	3	316.430	2.338	40	70		DEIBHN
CCOC(=O)c1ccc(NC(=O)C2CCN(C)CC2)c(C)c1	ZINC000216922255	402290096	/nfs/dbraw/zinc/29/00/96/402290096.db2.gz	JLHFWSAWBNLSIM-UHFFFAOYSA-N	0	3	304.390	2.452	40	70		DEIBHN
CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1C	ZINC000216913098	402289901	/nfs/dbraw/zinc/28/99/01/402289901.db2.gz	LIXLOBMSQZCAOQ-CYBMUJFWSA-N	0	3	304.390	2.452	40	70		DEIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)C1	ZINC000216908014	402290020	/nfs/dbraw/zinc/29/00/20/402290020.db2.gz	MDYUWFCVILHVKX-AWEZNQCLSA-N	0	3	315.417	2.203	40	70		DEIBHN
CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216909502	402290061	/nfs/dbraw/zinc/29/00/61/402290061.db2.gz	XHSMOMBCUKSPNH-CQSZACIVSA-N	0	3	317.433	2.497	40	70		DEIBHN
Cc1cc(NC(=O)C2CCN(C)CC2)ccc1N1CCCC1=O	ZINC000216924343	402289940	/nfs/dbraw/zinc/28/99/40/402289940.db2.gz	UPWPSTVLTOMSQJ-UHFFFAOYSA-N	0	3	315.417	2.402	40	70		DEIBHN
CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C)C2)c1	ZINC000216913161	402289961	/nfs/dbraw/zinc/28/99/61/402289961.db2.gz	MMDHOJWWASUQBK-CQSZACIVSA-N	0	3	304.390	2.452	40	70		DEIBHN
COc1ccc(OC[C@H](C)NC(=O)CC2CCN(C)CC2)cc1	ZINC000216899378	402290364	/nfs/dbraw/zinc/29/03/64/402290364.db2.gz	KVVIJFBDJIADSL-AWEZNQCLSA-N	0	3	320.433	2.311	40	70		DEIBHN
CCOc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1	ZINC000216923890	402290390	/nfs/dbraw/zinc/29/03/90/402290390.db2.gz	KMQQRPFMOBHDCO-UHFFFAOYSA-N	0	3	304.434	2.476	40	70		DEIBHN
CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1C	ZINC000216913122	402290147	/nfs/dbraw/zinc/29/01/47/402290147.db2.gz	LIXLOBMSQZCAOQ-ZDUSSCGKSA-N	0	3	304.390	2.452	40	70		DEIBHN
CCCCNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1	ZINC000216920771	402290329	/nfs/dbraw/zinc/29/03/29/402290329.db2.gz	QYNMWVVZYBYQIL-UHFFFAOYSA-N	0	3	317.433	2.497	40	70		DEIBHN
CN1CCC[C@@H](c2nc(CCCNC(=O)OC(C)(C)C)no2)C1	ZINC000218377495	257130598	/nfs/dbraw/zinc/13/05/98/257130598.db2.gz	HJRIMOADGAKPHG-GFCCVEGCSA-N	0	3	324.425	2.336	40	70		DEIBHN
CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(C)CC2)c1	ZINC000216922225	402290027	/nfs/dbraw/zinc/29/00/27/402290027.db2.gz	RQXHQGAXASHXTM-UHFFFAOYSA-N	0	3	304.390	2.452	40	70		DEIBHN
CCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216895887	402290138	/nfs/dbraw/zinc/29/01/38/402290138.db2.gz	MIEKEFQXNVPFSS-UHFFFAOYSA-N	0	3	317.433	2.497	40	70		DEIBHN
CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216909530	402289978	/nfs/dbraw/zinc/28/99/78/402289978.db2.gz	XHSMOMBCUKSPNH-AWEZNQCLSA-N	0	3	317.433	2.497	40	70		DEIBHN
Cc1nccn1-c1ccc(CNC(=O)C2CCN(C)CC2)cc1	ZINC000216922773	402289926	/nfs/dbraw/zinc/28/99/26/402289926.db2.gz	VAAHLELBVMOPOY-UHFFFAOYSA-N	0	3	312.417	2.139	40	70		DEIBHN
COC(=O)c1ccc(C)c(NC(=O)CC2CCN(C)CC2)c1	ZINC000216893750	402290283	/nfs/dbraw/zinc/29/02/83/402290283.db2.gz	USLOUEQUCNTRFT-UHFFFAOYSA-N	0	3	304.390	2.452	40	70		DEIBHN
COc1cccc(CCCNC(=O)CC2CCN(C)CC2)c1	ZINC000216898924	402290187	/nfs/dbraw/zinc/29/01/87/402290187.db2.gz	MHNZQHWJFRAYDK-UHFFFAOYSA-N	0	3	304.434	2.476	40	70		DEIBHN
Cc1nccn1-c1ccccc1CNC(=O)C1CCN(C)CC1	ZINC000216922738	402290035	/nfs/dbraw/zinc/29/00/35/402290035.db2.gz	LKBIBSCLDTZLRE-UHFFFAOYSA-N	0	3	312.417	2.139	40	70		DEIBHN