smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1	ZINC000216838124	557157439	/nfs/dbraw/zinc/15/74/39/557157439.db2.gz	VGGGXSXGEDJTBY-UHFFFAOYSA-N	0	3	431.942	0.950	40	70		ICIBHN
Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858730	557158115	/nfs/dbraw/zinc/15/81/15/557158115.db2.gz	CWAMWFRGCMXJCI-UHFFFAOYSA-N	0	3	437.610	0.298	40	70		ICIBHN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCN1CCN(C)CC1	ZINC000216864701	557159366	/nfs/dbraw/zinc/15/93/66/557159366.db2.gz	ASTGUMSEXKCKLZ-UHFFFAOYSA-N	0	3	437.610	0.298	40	70		ICIBHN
CN1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1	ZINC000216887801	557161986	/nfs/dbraw/zinc/16/19/86/557161986.db2.gz	HEXLBNDOPFQWFR-UHFFFAOYSA-N	0	3	437.610	0.131	40	70		ICIBHN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCN(C)CC3)C2)cc1	ZINC000216949432	557165061	/nfs/dbraw/zinc/16/50/61/557165061.db2.gz	VRDISGDHMOESMX-GOSISDBHSA-N	0	3	438.594	0.850	40	70		ICIBHN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCN(C)CC3)C2)cc1	ZINC000216949455	557165097	/nfs/dbraw/zinc/16/50/97/557165097.db2.gz	VRDISGDHMOESMX-SFHVURJKSA-N	0	3	438.594	0.850	40	70		ICIBHN
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1CN1CCOCC1	ZINC000217562614	557171393	/nfs/dbraw/zinc/17/13/93/557171393.db2.gz	QRXRUVLSCRTADO-DLBZAZTESA-N	0	3	426.517	0.704	40	70		ICIBHN