smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(OCC(=O)NCCC[NH+]2CCN(C)CC2)ccc1Br	ZINC000216950371	531027442	/nfs/dbraw/zinc/02/74/42/531027442.db2.gz	YYELJGGYBSLUAC-UHFFFAOYSA-N	1	1	384.318	1.890	40	70		GDIBMO
C[N@H+]1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[nH]c(=O)c2C1	ZINC000216845708	531027569	/nfs/dbraw/zinc/02/75/69/531027569.db2.gz	GKCSWLYWFCOGLD-UHFFFAOYSA-N	1	1	382.873	1.377	40	70		GDIBMO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216915740	570309528	/nfs/dbraw/zinc/30/95/28/570309528.db2.gz	RRFLRNWJDXYNIR-AWEZNQCLSA-N	1	1	381.498	1.760	40	70		GDIBMO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216915712	570309648	/nfs/dbraw/zinc/30/96/48/570309648.db2.gz	RRFLRNWJDXYNIR-CQSZACIVSA-N	1	1	381.498	1.760	40	70		GDIBMO
C[N@H+]1C[C@@]2(C)CN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@@](C)(C1)[C@H]2O	ZINC000217838943	531027290	/nfs/dbraw/zinc/02/72/90/531027290.db2.gz	YVRACPAMLJHOJU-XGWQRUHWSA-N	1	1	381.929	1.989	40	70		GDIBMO
CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216852579	136203231	/nfs/dbraw/zinc/20/32/31/136203231.db2.gz	WAXZXPOIQUORDB-UHFFFAOYSA-N	1	1	394.526	1.341	40	70		GDIBMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216914058	570309035	/nfs/dbraw/zinc/30/90/35/570309035.db2.gz	KLHZOLWUTPTXBC-MRXNPFEDSA-N	1	1	394.541	1.211	40	70		GDIBMO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216914081	570309376	/nfs/dbraw/zinc/30/93/76/570309376.db2.gz	KLHZOLWUTPTXBC-INIZCTEOSA-N	1	1	394.541	1.211	40	70		GDIBMO