smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026935328	563037812	/nfs/dbraw/zinc/03/78/12/563037812.db2.gz	UTQGZAREXGEAIZ-UHFFFAOYSA-N	2	2	437.481	3.740	1	10		IHCFLP
C[NH+]1CCN(C(=O)NCc2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2O)CC1	ZINC000029232924	563076992	/nfs/dbraw/zinc/07/69/92/563076992.db2.gz	QHSLSGPCLNVADG-UHFFFAOYSA-N	2	2	425.920	3.794	1	10		IHCFLP
CC[N@H+](CCNC(=O)[C@H](C)[NH3+])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045286658	563128368	/nfs/dbraw/zinc/12/83/68/563128368.db2.gz	KPUHLEJPRONBGY-HNNXBMFYSA-N	3	2	441.963	3.623	1	10		IHCFLP
CC[N@@H+](CCNC(=O)[C@H](C)[NH3+])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045286658	563128370	/nfs/dbraw/zinc/12/83/70/563128370.db2.gz	KPUHLEJPRONBGY-HNNXBMFYSA-N	3	2	441.963	3.623	1	10		IHCFLP
COc1ccc2ncc(F)c(CC[NH+]3CCC([NH2+]Cc4ccc5c(c4)CCO5)CC3)c2n1	ZINC000043053451	563117425	/nfs/dbraw/zinc/11/74/25/563117425.db2.gz	DVEBXGMTZMNJTC-UHFFFAOYSA-N	2	2	436.531	3.509	1	10		IHCFLP
C[NH+](C)CCNc1c2ccsc2c(NCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000040934102	563112298	/nfs/dbraw/zinc/11/22/98/563112298.db2.gz	BLQAFRHLJBXAMF-UHFFFAOYSA-N	2	2	436.581	3.624	1	10		IHCFLP