smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](CCc3ccncc3)CC2)n1	ZINC000218177588	557181010	/nfs/dbraw/zinc/18/10/10/557181010.db2.gz	ZKEWATHZUBVOQK-DEOSSOPVSA-N	1	1	444.583	2.899	50	70		IFIAMO
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217690418	569451703	/nfs/dbraw/zinc/45/17/03/569451703.db2.gz	KJNPYHZDWIXWKI-KRWDZBQOSA-N	1	1	429.469	2.798	50	70		IFIAMO
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217937676	569455025	/nfs/dbraw/zinc/45/50/25/569455025.db2.gz	HYVDWDCMMLCMOL-INIZCTEOSA-N	1	1	445.468	2.764	50	70		IFIAMO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217882329	569454585	/nfs/dbraw/zinc/45/45/85/569454585.db2.gz	MMQQPBNERVFTQM-YSIASYRMSA-N	1	1	446.979	2.921	50	70		IFIAMO
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217937600	569455018	/nfs/dbraw/zinc/45/50/18/569455018.db2.gz	HYVDWDCMMLCMOL-MRXNPFEDSA-N	1	1	445.468	2.764	50	70		IFIAMO
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@@H+]1CCc2ccccc2C1	ZINC000218294376	557189917	/nfs/dbraw/zinc/18/99/17/557189917.db2.gz	PYCTWQQPFGCARF-UHFFFAOYSA-N	1	1	444.579	2.971	50	70		IFIAMO
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@H+]1CCc2ccccc2C1	ZINC000218294376	557189921	/nfs/dbraw/zinc/18/99/21/557189921.db2.gz	PYCTWQQPFGCARF-UHFFFAOYSA-N	1	1	444.579	2.971	50	70		IFIAMO
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCc2ccccc2C1	ZINC000218294376	557189924	/nfs/dbraw/zinc/18/99/24/557189924.db2.gz	PYCTWQQPFGCARF-UHFFFAOYSA-N	1	1	444.579	2.971	50	70		IFIAMO
COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217774920	569453031	/nfs/dbraw/zinc/45/30/31/569453031.db2.gz	BXZUQZYPWFWMGE-GOSISDBHSA-N	1	1	431.485	2.527	50	70		IFIAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699522	557173218	/nfs/dbraw/zinc/17/32/18/557173218.db2.gz	UMWHVBTZIYRUQL-SUWCGCSTSA-N	1	1	425.847	2.910	50	70		IFIAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699522	557173222	/nfs/dbraw/zinc/17/32/22/557173222.db2.gz	UMWHVBTZIYRUQL-SUWCGCSTSA-N	1	1	425.847	2.910	50	70		IFIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCN(CCOc3ccccc3)CC2)c1O	ZINC000218230778	557183335	/nfs/dbraw/zinc/18/33/35/557183335.db2.gz	QRWJWDGOUMFBOB-UHFFFAOYSA-N	1	1	427.545	2.528	50	70		IFIAMO
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217690348	569451708	/nfs/dbraw/zinc/45/17/08/569451708.db2.gz	KJNPYHZDWIXWKI-QGZVFWFLSA-N	1	1	429.469	2.798	50	70		IFIAMO
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217708889	569452019	/nfs/dbraw/zinc/45/20/19/569452019.db2.gz	SKWJBGKZNLROEU-YTQUADARSA-N	1	1	432.952	2.531	50	70		IFIAMO
COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217775017	569453050	/nfs/dbraw/zinc/45/30/50/569453050.db2.gz	BXZUQZYPWFWMGE-SFHVURJKSA-N	1	1	431.485	2.527	50	70		IFIAMO
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](CCc3ccncc3)CC2)n1	ZINC000218177511	557181186	/nfs/dbraw/zinc/18/11/86/557181186.db2.gz	ZKEWATHZUBVOQK-XMMPIXPASA-N	1	1	444.583	2.899	50	70		IFIAMO