smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-c2cc(-c3cc4ccccc4o3)on2)cc1	ZINC000216698689	563710831	/nfs/dbraw/zinc/71/08/31/563710831.db2.gz	LCJFFVIJEKNKPA-UHFFFAOYSA-N	0	0	305.333	5.154	40	70		DKIBRN
CC(C)(C)c1ccc(-c2cc(-c3cc4ccccc4o3)on2)cc1	ZINC000216698757	563710794	/nfs/dbraw/zinc/71/07/94/563710794.db2.gz	MFCRZQAZLVKLNB-UHFFFAOYSA-N	0	0	317.388	6.052	40	70		DKIBRN
CC(C)c1ccc(-c2cc(-c3cc4ccccc4o3)on2)cc1	ZINC000216698899	563710784	/nfs/dbraw/zinc/71/07/84/563710784.db2.gz	YLKDRGWHQOVFRS-UHFFFAOYSA-N	0	0	303.361	5.878	40	70		DKIBRN
CCOc1ccccc1-c1cc(-c2cc3ccccc3o2)on1	ZINC000216698960	563710806	/nfs/dbraw/zinc/71/08/06/563710806.db2.gz	WXUXWNDENAOYFP-UHFFFAOYSA-N	0	0	305.333	5.154	40	70		DKIBRN
CC[C@@]12C[C@H]3C[C@@H](C1)C[C@](SC(=S)N1CCCCC1)(C3)C2	ZINC000217395417	563713721	/nfs/dbraw/zinc/71/37/21/563713721.db2.gz	VEWCPIGDAYBVLF-KPOQHDDYSA-N	0	0	323.571	5.239	40	70		DKIBRN
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1	ZINC000217859618	563714735	/nfs/dbraw/zinc/71/47/35/563714735.db2.gz	RRROQZGAWSSUDC-HXUWFJFHSA-N	0	0	323.480	5.482	40	70		DKIBRN
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1	ZINC000217859708	563714674	/nfs/dbraw/zinc/71/46/74/563714674.db2.gz	RRROQZGAWSSUDC-FQEVSTJZSA-N	0	0	323.480	5.482	40	70		DKIBRN
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C	ZINC000217859866	563714625	/nfs/dbraw/zinc/71/46/25/563714625.db2.gz	PZYZESFPEFBYTF-HXUWFJFHSA-N	0	0	323.480	5.482	40	70		DKIBRN
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C	ZINC000217859925	563714495	/nfs/dbraw/zinc/71/44/95/563714495.db2.gz	PZYZESFPEFBYTF-FQEVSTJZSA-N	0	0	323.480	5.482	40	70		DKIBRN
Cc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1C	ZINC000218094124	563715529	/nfs/dbraw/zinc/71/55/29/563715529.db2.gz	OXBZGBVBNRFSQL-XMHGGMMESA-N	0	0	317.388	5.076	40	70		DKIBRN
CCc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	ZINC000218094220	201530964	/nfs/dbraw/zinc/53/09/64/201530964.db2.gz	WMUJNOQPPVAMHN-HMMYKYKNSA-N	0	0	317.388	5.021	40	70		DKIBRN
CCCCNc1cc([C@@H](C)N(C)C(=O)OC(C)(C)C)ccc1C	ZINC000218283623	257130525	/nfs/dbraw/zinc/13/05/25/257130525.db2.gz	YYNFEQCHSUELPB-OAHLLOKOSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCCNc1cc([C@H](C)N(C)C(=O)OC(C)(C)C)ccc1C	ZINC000218283683	257130710	/nfs/dbraw/zinc/13/07/10/257130710.db2.gz	YYNFEQCHSUELPB-HNNXBMFYSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCNc1cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C	ZINC000218284329	257130761	/nfs/dbraw/zinc/13/07/61/257130761.db2.gz	HAFMPUWRINOWAW-OAHLLOKOSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCNc1cc([C@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C	ZINC000218284383	257130434	/nfs/dbraw/zinc/13/04/34/257130434.db2.gz	HAFMPUWRINOWAW-HNNXBMFYSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NCC)c1	ZINC000218285026	257130747	/nfs/dbraw/zinc/13/07/47/257130747.db2.gz	SDDPSKJADQGIAV-HNNXBMFYSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NCC)c1	ZINC000218285073	257130983	/nfs/dbraw/zinc/13/09/83/257130983.db2.gz	SDDPSKJADQGIAV-OAHLLOKOSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC)c1	ZINC000218285636	257130974	/nfs/dbraw/zinc/13/09/74/257130974.db2.gz	XGGJKTYKXIRLEQ-HNNXBMFYSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC)c1	ZINC000218285708	257130571	/nfs/dbraw/zinc/13/05/71/257130571.db2.gz	XGGJKTYKXIRLEQ-OAHLLOKOSA-N	0	0	320.477	5.135	40	70		DKIBRN
CCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218324474	257131057	/nfs/dbraw/zinc/13/10/57/257131057.db2.gz	URCWWLWABFCYRT-HNNXBMFYSA-N	0	0	320.477	5.133	40	70		DKIBRN
CCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218324510	257130691	/nfs/dbraw/zinc/13/06/91/257130691.db2.gz	URCWWLWABFCYRT-OAHLLOKOSA-N	0	0	320.477	5.133	40	70		DKIBRN
O=C(NCCC1=CCCCC1)c1cc2c(ccc3ccccc23)o1	ZINC000218494623	563716129	/nfs/dbraw/zinc/71/61/29/563716129.db2.gz	QGEUPPPOTOCVTO-UHFFFAOYSA-N	0	0	319.404	5.206	40	70		DKIBRN
O=C(NC1CCCCCCC1)c1cc2c(ccc3ccccc23)o1	ZINC000218495552	563716284	/nfs/dbraw/zinc/71/62/84/563716284.db2.gz	RHFJVBCLTYHRRK-UHFFFAOYSA-N	0	0	321.420	5.429	40	70		DKIBRN