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)c1sc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c(C(=O)OC)c1C	ZINC000514295193	1066206994	/nfs/dbraw/zinc/20/69/94/1066206994.db2.gz	CLWPYWPLTMKBMS-UHFFFAOYSA-N	1	1	531.653	0.869	20	0		KCADMO
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)cc1	ZINC000514303637	1066211616	/nfs/dbraw/zinc/21/16/16/1066211616.db2.gz	XMPJMTUATZADGI-UHFFFAOYSA-N	1	1	528.697	0.886	20	0		KCADMO
O=C(CN1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000514388434	1066221119	/nfs/dbraw/zinc/22/11/19/1066221119.db2.gz	YJOSRJLHSZVFOA-UHFFFAOYSA-N	1	1	540.621	0.149	20	0		KCADMO
O=C(CN1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000514388434	1066221106	/nfs/dbraw/zinc/22/11/06/1066221106.db2.gz	YJOSRJLHSZVFOA-UHFFFAOYSA-N	1	1	540.621	0.149	20	0		KCADMO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	ZINC000514391373	1066222842	/nfs/dbraw/zinc/22/28/42/1066222842.db2.gz	IJWGUNDSDSWDNJ-UHFFFAOYSA-N	1	1	512.629	0.919	20	0		KCADMO
C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000514391929	1066218400	/nfs/dbraw/zinc/21/84/00/1066218400.db2.gz	QDWBXFFSJVRIKR-UHFFFAOYSA-N	1	1	574.081	0.907	20	0		KCADMO
C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000514391929	1066218391	/nfs/dbraw/zinc/21/83/91/1066218391.db2.gz	QDWBXFFSJVRIKR-UHFFFAOYSA-N	1	1	574.081	0.907	20	0		KCADMO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1	ZINC000514393307	1066228912	/nfs/dbraw/zinc/22/89/12/1066228912.db2.gz	WHAXNBZAIDPSBC-UHFFFAOYSA-N	1	1	502.037	0.395	20	0		KCADMO
COCCn1cnc2c1c(=O)n(CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c(=O)n2Cc1ccccc1	ZINC000514403842	1066228251	/nfs/dbraw/zinc/22/82/51/1066228251.db2.gz	RNVNCZVJOLJLKW-NRFANRHFSA-N	1	1	512.611	0.527	20	0		KCADMO
COCCn1cnc2c1c(=O)n(CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c(=O)n2Cc1ccccc1	ZINC000514403843	1066228491	/nfs/dbraw/zinc/22/84/91/1066228491.db2.gz	RNVNCZVJOLJLKW-OAQYLSRUSA-N	1	1	512.611	0.527	20	0		KCADMO
O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1	ZINC000521264805	1066232823	/nfs/dbraw/zinc/23/28/23/1066232823.db2.gz	NZXSAXMMKHDCCP-UHFFFAOYSA-N	1	1	500.003	0.938	20	0		KCADMO
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000748485718	1066284050	/nfs/dbraw/zinc/28/40/50/1066284050.db2.gz	BFTATVPOFCFMDE-UHFFFAOYSA-N	1	1	500.003	0.938	20	0		KCADMO