smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nc3c([nH]2)c2ccccc2cc3C(C)C)cc1	ZINC000005424111	560201943	/nfs/dbraw/zinc/20/19/43/560201943.db2.gz	ZFRQMIPKEPUCBX-UHFFFAOYSA-N	0	1	316.404	5.515	1	0	in-vitro	DKAFMN
Fc1cc(-c2cc(-c3ccccc3)[nH]n2)c(Cl)cc1Cl	ZINC000005800985	181285108	/nfs/dbraw/zinc/28/51/08/181285108.db2.gz	CXBOFRUFCSVWMB-UHFFFAOYSA-N	0	1	307.155	5.190	1	0		DKAFMN
Fc1ccc(-c2[nH]c(C3CCCCC3)nc2-c2ccncc2)cc1	ZINC000008536521	581098448	/nfs/dbraw/zinc/09/84/48/581098448.db2.gz	VPVLUCZRDCBSCN-UHFFFAOYSA-N	0	1	321.399	5.326	1	0		DKAFMN
FC(F)(F)c1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1	ZINC000013766639	181892493	/nfs/dbraw/zinc/89/24/93/181892493.db2.gz	XFRRXQDVSCYLBU-UHFFFAOYSA-N	0	1	319.326	5.032	1	0		DKAFMN
Clc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c2c1	ZINC000040845301	183141088	/nfs/dbraw/zinc/14/10/88/183141088.db2.gz	QULRLINBIIMKHE-UHFFFAOYSA-N	0	1	312.587	5.267	1	0		DKAFMN
Clc1ccc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2c1	ZINC000040847980	183141339	/nfs/dbraw/zinc/14/13/39/183141339.db2.gz	GQZHDNNOQDMUHG-UHFFFAOYSA-N	0	1	312.587	5.267	1	0		DKAFMN
COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1	ZINC000040980223	183154331	/nfs/dbraw/zinc/15/43/31/183154331.db2.gz	WSFARKDYYPRFAQ-UHFFFAOYSA-N	0	1	320.417	5.017	1	0		DKAFMN
Nc1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1	ZINC000066100919	184389398	/nfs/dbraw/zinc/38/93/98/184389398.db2.gz	QCRPYGXCYRMJBA-UHFFFAOYSA-N	0	1	317.436	5.305	1	0		DKAFMN
Fc1ccccc1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1	ZINC000073296266	191300666	/nfs/dbraw/zinc/30/06/66/191300666.db2.gz	VHNGTASFMXVRAS-JLHYYAGUSA-N	0	1	320.411	5.963	1	0		DKAFMN
Cc1ccccc1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1	ZINC000073296269	191300935	/nfs/dbraw/zinc/30/09/35/191300935.db2.gz	FABSVXGHUICJFX-SDNWHVSQSA-N	0	1	316.448	6.132	1	0		DKAFMN
C(=CC1CCCCC1)c1nc2ccc(-c3ccccc3)cc2[nH]1	ZINC000073298716	191301849	/nfs/dbraw/zinc/30/18/49/191301849.db2.gz	MDWGTGRRIVYKKX-SDNWHVSQSA-N	0	1	302.421	5.823	1	0		DKAFMN
c1ccc(-c2ccc(-c3nc4cc5cccnc5cc4[nH]3)cc2)cc1	ZINC000073387286	191311246	/nfs/dbraw/zinc/31/12/46/191311246.db2.gz	PHGHNJZTQDWUGL-UHFFFAOYSA-N	0	1	321.383	5.445	1	0		DKAFMN
c1ccc(-c2ccc(-c3nc4cc5ccc[nH]c5cc4n3)cc2)cc1	ZINC000073387286	191311243	/nfs/dbraw/zinc/31/12/43/191311243.db2.gz	PHGHNJZTQDWUGL-UHFFFAOYSA-N	0	1	321.383	5.445	1	0		DKAFMN
Clc1ccc(-c2nc3cc4cccnc4cc3[nH]2)cc1Cl	ZINC000082157976	185174006	/nfs/dbraw/zinc/17/40/06/185174006.db2.gz	CKZMRQNFCGICEI-UHFFFAOYSA-N	0	1	314.175	5.085	1	0		DKAFMN
Clc1ccc(-c2nc3cc4ccc[nH]c4cc3n2)cc1Cl	ZINC000082157976	185174005	/nfs/dbraw/zinc/17/40/05/185174005.db2.gz	CKZMRQNFCGICEI-UHFFFAOYSA-N	0	1	314.175	5.085	1	0		DKAFMN
CC1(C)Cc2c3[nH]c(-c4ccccc4)nc3c3ccccc3c2O1	ZINC000095573770	185380426	/nfs/dbraw/zinc/38/04/26/185380426.db2.gz	BBFMYYYHENQGJC-UHFFFAOYSA-N	0	1	314.388	5.097	1	0		DKAFMN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H](N(C)C)CC[C@]12C	ZINC000095587950	185381420	/nfs/dbraw/zinc/38/14/20/185381420.db2.gz	YMQCZRKSSONZHE-IAVZTARUSA-N	0	1	321.549	5.165	1	0		DKAFMN
Cn1cc(/C=C/C2=Nc3ccccc3C2(C)C)c2ccccc21	ZINC000096934725	185392868	/nfs/dbraw/zinc/39/28/68/185392868.db2.gz	DTUGBIJFNCOBFH-OUKQBFOZSA-N	0	1	300.405	5.255	1	0		DKAFMN