smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948542	568469810	/nfs/dbraw/zinc/46/98/10/568469810.db2.gz	VCFFAQODCKPWQB-UHFFFAOYSA-N	0	1	414.358	3.687	40	70		HHIBMN
Cc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1	ZINC000217599595	568473042	/nfs/dbraw/zinc/47/30/42/568473042.db2.gz	SDNYVZVJYMFPNP-YYDVJCTNSA-N	0	1	405.542	3.571	40	70		HHIBMN
Cc1cc(C)cc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1	ZINC000217570775	568472925	/nfs/dbraw/zinc/47/29/25/568472925.db2.gz	ZHLKNLWCDJKAOX-ROKPMTFOSA-N	0	1	419.569	3.879	40	70		HHIBMN
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1	ZINC000217579698	568472957	/nfs/dbraw/zinc/47/29/57/568472957.db2.gz	GAIXORVAXMXKSY-OBFMXLEASA-N	0	1	419.569	3.501	40	70		HHIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949335	568469785	/nfs/dbraw/zinc/46/97/85/568469785.db2.gz	RJZVCLFYPCDHAI-UHFFFAOYSA-N	0	1	414.358	3.687	40	70		HHIBMN
Cc1cccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1	ZINC000217567471	568472755	/nfs/dbraw/zinc/47/27/55/568472755.db2.gz	JFQGNNCALWRPAA-YYDVJCTNSA-N	0	1	405.542	3.571	40	70		HHIBMN
C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1	ZINC000217579783	568472886	/nfs/dbraw/zinc/47/28/86/568472886.db2.gz	GAIXORVAXMXKSY-KLNOSBNDSA-N	0	1	419.569	3.501	40	70		HHIBMN
CCOc1ccc(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OCC	ZINC000217021185	568470092	/nfs/dbraw/zinc/47/00/92/568470092.db2.gz	BFNGAMANRBAKDX-UHFFFAOYSA-N	0	1	411.546	3.807	40	70		HHIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948428	568469720	/nfs/dbraw/zinc/46/97/20/568469720.db2.gz	DEQJTRRGWUZBSE-UHFFFAOYSA-N	0	1	414.358	3.687	40	70		HHIBMN
CC(C)Cc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]2)cc1	ZINC000217585613	568472947	/nfs/dbraw/zinc/47/29/47/568472947.db2.gz	ZDYMPTOUDDDDGL-AZUAARDMSA-N	0	1	416.525	3.696	40	70		HHIBMN
Cc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c(C)c1	ZINC000217589360	568472880	/nfs/dbraw/zinc/47/28/80/568472880.db2.gz	VBHHCVNDCIBTFZ-ROKPMTFOSA-N	0	1	419.569	3.879	40	70		HHIBMN
CCc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1	ZINC000217581409	568472915	/nfs/dbraw/zinc/47/29/15/568472915.db2.gz	MIPIVZINQFSHFR-ROKPMTFOSA-N	0	1	419.569	3.825	40	70		HHIBMN