smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Oc2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216930940	557162333	/nfs/dbraw/zinc/16/23/33/557162333.db2.gz	YXNVVEURHGWWQB-UHFFFAOYSA-N	0	3	439.408	5.338	40	70		IKIBHN
CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028908	557167132	/nfs/dbraw/zinc/16/71/32/557167132.db2.gz	MOSVJBAYHRSTMR-QFIPXVFZSA-N	0	3	433.017	5.000	40	70		IKIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1	ZINC000218004223	557175381	/nfs/dbraw/zinc/17/53/81/557175381.db2.gz	QBCXMIZDUSMIBV-UHFFFAOYSA-N	0	3	432.589	5.704	40	70		IKIBHN
CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	ZINC000218078880	557176722	/nfs/dbraw/zinc/17/67/22/557176722.db2.gz	CZEUZHQWBFENOK-UHFFFAOYSA-N	0	3	426.604	5.731	40	70		IKIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)CC1	ZINC000218610291	557210086	/nfs/dbraw/zinc/21/00/86/557210086.db2.gz	BGGPNWOIUCSTKB-UHFFFAOYSA-N	0	3	432.589	5.704	40	70		IKIBHN
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028871	557167341	/nfs/dbraw/zinc/16/73/41/557167341.db2.gz	MOSVJBAYHRSTMR-JOCHJYFZSA-N	0	3	433.017	5.000	40	70		IKIBHN
Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)cc1	ZINC000218212679	557182538	/nfs/dbraw/zinc/18/25/38/557182538.db2.gz	DWIFSDUVLLGCDW-UHFFFAOYSA-N	0	3	446.616	6.013	40	70		IKIBHN