smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(NCNc1nc3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)[nH]1)[nH]c2=O	ZINC000072130492	553642068	/nfs/dbraw/zinc/64/20/68/553642068.db2.gz	WLNNOXICHLWLAK-IRXDYDNUSA-N	1	1	660.693	-0.965	10	0	in-vitro	KBAEMO
CCOC(=O)C1=C(COCC[NH2+][C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000077271504	553656310	/nfs/dbraw/zinc/65/63/10/553656310.db2.gz	OTEHFFALUMYABS-RCCIUAMOSA-N	1	1	571.023	-0.303	10	0	in-vitro	KBAEMO
CCOC(=O)C1=C(COCC[NH2+][C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000077271511	553656378	/nfs/dbraw/zinc/65/63/78/553656378.db2.gz	OTEHFFALUMYABS-UHYGOSBBSA-N	1	1	571.023	-0.303	10	0	in-vitro	KBAEMO
CCOC(=O)C1=C(COCC[NH2+][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000077271516	553656325	/nfs/dbraw/zinc/65/63/25/553656325.db2.gz	OTEHFFALUMYABS-QHYGOWJGSA-N	1	1	571.023	-0.303	10	0	in-vitro	KBAEMO
CCOC(=O)C1=C(COCC[NH2+][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000077271522	553656392	/nfs/dbraw/zinc/65/63/92/553656392.db2.gz	OTEHFFALUMYABS-ZGNSORODSA-N	1	1	571.023	-0.303	10	0	in-vitro	KBAEMO
COC[C@]12C[N@@H+](C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O	ZINC000084713312	553678012	/nfs/dbraw/zinc/67/80/12/553678012.db2.gz	PULWZCUZNRVAHT-LOCDBSKESA-N	1	1	589.682	-0.313	10	0		KBAEMO
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccccc3)N1)[C@@H](O)[C@H]2O	ZINC000097976538	553971109	/nfs/dbraw/zinc/97/11/09/553971109.db2.gz	ZKHWLDGNNLLYIQ-LOVBUXKDSA-N	1	1	586.686	-0.879	10	0		KBAEMO
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3)N1)[C@@H](O)[C@H]2O	ZINC000097976538	553971105	/nfs/dbraw/zinc/97/11/05/553971105.db2.gz	ZKHWLDGNNLLYIQ-LOVBUXKDSA-N	1	1	586.686	-0.879	10	0		KBAEMO
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000104828844	571386791	/nfs/dbraw/zinc/38/67/91/571386791.db2.gz	WCSPDMCSKYUFBX-KIHHCIJBSA-N	1	1	598.774	-0.245	10	0		KBAEMO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000150383691	562843380	/nfs/dbraw/zinc/84/33/80/562843380.db2.gz	NMYZYAZJHLNJBG-YNAZAZDCSA-N	1	1	703.890	-0.801	10	0		KBAEMO
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@@H]1C(=O)OCOC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C	ZINC000253393390	291422111	/nfs/dbraw/zinc/42/21/11/291422111.db2.gz	OPYGFNJSCUDTBT-MUAMTZDJSA-N	1	1	594.668	-0.589	10	0		KBAEMO