smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(S(=O)(=O)F)c1	ZINC001164862538	721021898	/nfs/dbraw/zinc/02/18/98/721021898.db2.gz	QSJZVOUXURNAEP-CYBMUJFWSA-N	0	0	439.513	2.144	20	70		IEIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc(S(=O)(=O)F)ccn4)CC[C@H]32)cs1	ZINC001164986026	722186742	/nfs/dbraw/zinc/18/67/42/722186742.db2.gz	CRBLQYKCRXFBOL-IAGOWNOFSA-N	0	0	426.539	2.375	20	70		IEIDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(S(=O)(=O)F)ccn3)C2)C1	ZINC001164786934	721376815	/nfs/dbraw/zinc/37/68/15/721376815.db2.gz	VIKOHFODQNJBGB-FQEVSTJZSA-N	0	0	438.525	2.464	20	70		IEIDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(S(=O)(=O)F)ccn3)C2)C1	ZINC001164786935	721377236	/nfs/dbraw/zinc/37/72/36/721377236.db2.gz	VIKOHFODQNJBGB-HXUWFJFHSA-N	0	0	438.525	2.464	20	70		IEIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc(S(=O)(=O)F)ccn4)CC[C@@H]32)cs1	ZINC001164986029	722186760	/nfs/dbraw/zinc/18/67/60/722186760.db2.gz	CRBLQYKCRXFBOL-IRXDYDNUSA-N	0	0	426.539	2.375	20	70		IEIDRN
COC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(S(=O)(=O)F)c1	ZINC001164862542	721022027	/nfs/dbraw/zinc/02/20/27/721022027.db2.gz	QSJZVOUXURNAEP-ZDUSSCGKSA-N	0	0	439.513	2.144	20	70		IEIDRN
O=S(=O)(F)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nn1	ZINC001164911634	721725372	/nfs/dbraw/zinc/72/53/72/721725372.db2.gz	JTTMJBPSDCVGEZ-QGZVFWFLSA-N	0	0	427.452	2.268	20	70		IEIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc(S(=O)(=O)F)ccn4)CC[C@H]32)cs1	ZINC001164986032	722186729	/nfs/dbraw/zinc/18/67/29/722186729.db2.gz	CRBLQYKCRXFBOL-SJORKVTESA-N	0	0	426.539	2.375	20	70		IEIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc(S(=O)(=O)F)ccn4)CC[C@@H]32)cs1	ZINC001164986023	722186759	/nfs/dbraw/zinc/18/67/59/722186759.db2.gz	CRBLQYKCRXFBOL-DLBZAZTESA-N	0	0	426.539	2.375	20	70		IEIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1	ZINC001164947711	721981983	/nfs/dbraw/zinc/98/19/83/721981983.db2.gz	ITDMHOUIPSZPFM-UHFFFAOYSA-N	0	0	432.521	2.019	20	70		IEIDRN
O=S(=O)(F)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1	ZINC001164911630	721725421	/nfs/dbraw/zinc/72/54/21/721725421.db2.gz	JTTMJBPSDCVGEZ-KRWDZBQOSA-N	0	0	427.452	2.268	20	70		IEIDRN
COC(=O)c1cnc(N2CCC3(CCN(Cc4cccnc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164957156	722025153	/nfs/dbraw/zinc/02/51/53/722025153.db2.gz	ADKCPVBOSXOLKL-UHFFFAOYSA-N	0	0	448.520	2.414	20	70		IEIDRN