smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748857	720861346	/nfs/dbraw/zinc/86/13/46/720861346.db2.gz	MNBBGYJRSWHEOS-ZIFCJYIRSA-N	1	1	434.541	2.019	20	70		IEIDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164791810	721474075	/nfs/dbraw/zinc/47/40/75/721474075.db2.gz	ZOHBGUBNXQSKPN-GOSISDBHSA-N	1	1	441.569	2.474	20	70		IEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748845	720861040	/nfs/dbraw/zinc/86/10/40/720861040.db2.gz	MNBBGYJRSWHEOS-JENIJYKNSA-N	1	1	434.541	2.019	20	70		IEIDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164713058	720144879	/nfs/dbraw/zinc/14/48/79/720144879.db2.gz	PROUMNGKIMRHBJ-QGZVFWFLSA-N	1	1	435.525	2.037	20	70		IEIDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164713057	720143592	/nfs/dbraw/zinc/14/35/92/720143592.db2.gz	PROUMNGKIMRHBJ-KRWDZBQOSA-N	1	1	435.525	2.037	20	70		IEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748854	720861220	/nfs/dbraw/zinc/86/12/20/720861220.db2.gz	MNBBGYJRSWHEOS-ZHALLVOQSA-N	1	1	434.541	2.019	20	70		IEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748849	720861284	/nfs/dbraw/zinc/86/12/84/720861284.db2.gz	MNBBGYJRSWHEOS-YQVWRLOYSA-N	1	1	434.541	2.019	20	70		IEIDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164791812	721473827	/nfs/dbraw/zinc/47/38/27/721473827.db2.gz	ZOHBGUBNXQSKPN-SFHVURJKSA-N	1	1	441.569	2.474	20	70		IEIDMO
COC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164957156	722025156	/nfs/dbraw/zinc/02/51/56/722025156.db2.gz	ADKCPVBOSXOLKL-UHFFFAOYSA-N	1	1	448.520	2.414	20	70		IEIDMO
COC(=O)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164957156	722025161	/nfs/dbraw/zinc/02/51/61/722025161.db2.gz	ADKCPVBOSXOLKL-UHFFFAOYSA-N	1	1	448.520	2.414	20	70		IEIDMO