smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(CC(=O)Nc2ccc(OC3CCCC3)cc2)CC1	ZINC000216900642	563712013	/nfs/dbraw/zinc/71/20/13/563712013.db2.gz	OGJXJHVPCVMLMB-UHFFFAOYSA-N	0	3	316.445	3.678	40	70		DHIBHN
CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)c(C)c1	ZINC000216905254	563712193	/nfs/dbraw/zinc/71/21/93/563712193.db2.gz	GBSWOYRMVPVJIA-GOSISDBHSA-N	0	3	302.462	3.603	40	70		DHIBHN
CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1	ZINC000216921340	563711674	/nfs/dbraw/zinc/71/16/74/563711674.db2.gz	UKRJFEJQEPMUSG-UHFFFAOYSA-N	0	3	321.635	3.927	40	70		DHIBHN
Cc1ccccc1[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1	ZINC000216923057	563711911	/nfs/dbraw/zinc/71/19/11/563711911.db2.gz	CGMLNNPWCYTUGF-HXUWFJFHSA-N	0	3	322.452	3.542	40	70		DHIBHN
CN1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1	ZINC000216910810	563712100	/nfs/dbraw/zinc/71/21/00/563712100.db2.gz	PKJHCOKPGNLPCX-QMMMGPOBSA-N	0	3	321.635	3.927	40	70		DHIBHN
CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)c(C)c1	ZINC000216905288	563712031	/nfs/dbraw/zinc/71/20/31/563712031.db2.gz	GBSWOYRMVPVJIA-SFHVURJKSA-N	0	3	302.462	3.603	40	70		DHIBHN
Cc1ccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)cc1	ZINC000216923108	563712255	/nfs/dbraw/zinc/71/22/55/563712255.db2.gz	AGNQGSGJEZUBIH-HXUWFJFHSA-N	0	3	322.452	3.542	40	70		DHIBHN
Cc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1	ZINC000216924685	563711711	/nfs/dbraw/zinc/71/17/11/563711711.db2.gz	FIPRAUWFAKKNHL-HXUWFJFHSA-N	0	3	322.452	3.542	40	70		DHIBHN
C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000216898633	563712154	/nfs/dbraw/zinc/71/21/54/563712154.db2.gz	SMKBMUWOJRZJKP-OAHLLOKOSA-N	0	3	316.489	3.893	40	70		DHIBHN
Cc1ccccc1[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1	ZINC000216923033	563712135	/nfs/dbraw/zinc/71/21/35/563712135.db2.gz	CGMLNNPWCYTUGF-FQEVSTJZSA-N	0	3	322.452	3.542	40	70		DHIBHN
CC(C)C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1	ZINC000216902063	563711863	/nfs/dbraw/zinc/71/18/63/563711863.db2.gz	BTEIICSEPWFFCX-GOSISDBHSA-N	0	3	302.462	3.622	40	70		DHIBHN
CC(C)C[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1	ZINC000216902100	563712299	/nfs/dbraw/zinc/71/22/99/563712299.db2.gz	BTEIICSEPWFFCX-SFHVURJKSA-N	0	3	302.462	3.622	40	70		DHIBHN
Cc1ccc([C@@H](NC(=O)C2CCN(C)CC2)c2ccccc2)cc1	ZINC000216923086	563712160	/nfs/dbraw/zinc/71/21/60/563712160.db2.gz	AGNQGSGJEZUBIH-FQEVSTJZSA-N	0	3	322.452	3.542	40	70		DHIBHN
CN1CCC(CC(=O)NC(c2ccccc2)c2ccccc2)CC1	ZINC000216897540	563712187	/nfs/dbraw/zinc/71/21/87/563712187.db2.gz	AJRGWWHJUMYWQD-UHFFFAOYSA-N	0	3	322.452	3.624	40	70		DHIBHN
Cc1cccc([C@@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1	ZINC000216924667	563711987	/nfs/dbraw/zinc/71/19/87/563711987.db2.gz	FIPRAUWFAKKNHL-FQEVSTJZSA-N	0	3	322.452	3.542	40	70		DHIBHN
CN1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1	ZINC000216910779	563712065	/nfs/dbraw/zinc/71/20/65/563712065.db2.gz	PKJHCOKPGNLPCX-MRVPVSSYSA-N	0	3	321.635	3.927	40	70		DHIBHN
C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000216898668	563712312	/nfs/dbraw/zinc/71/23/12/563712312.db2.gz	SMKBMUWOJRZJKP-HNNXBMFYSA-N	0	3	316.489	3.893	40	70		DHIBHN