smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)/C=C\c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncc1[N+](=O)[O-]	ZINC001164799239	721519047	/nfs/dbraw/zinc/51/90/47/721519047.db2.gz	ZSOLXUVFWOJVPP-PLNGDYQASA-N	2	2	426.525	1.486	20	5		IDBDLP
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1	ZINC001164875600	721283204	/nfs/dbraw/zinc/28/32/04/721283204.db2.gz	XMVRLWDTLJIPDO-VMPITWQZSA-N	2	2	446.552	1.529	20	5		IDBDLP
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1	ZINC001164875600	721283207	/nfs/dbraw/zinc/28/32/07/721283207.db2.gz	XMVRLWDTLJIPDO-VMPITWQZSA-N	2	2	446.552	1.529	20	5		IDBDLP
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164947680	721982046	/nfs/dbraw/zinc/98/20/46/721982046.db2.gz	IMAOZBPWUTXSJZ-UHFFFAOYSA-N	2	2	437.504	1.043	20	5		IDBDLP
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164947680	721982048	/nfs/dbraw/zinc/98/20/48/721982048.db2.gz	IMAOZBPWUTXSJZ-UHFFFAOYSA-N	2	2	437.504	1.043	20	5		IDBDLP
C[NH+](C)/C=C\c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-]	ZINC001165001857	722237010	/nfs/dbraw/zinc/23/70/10/722237010.db2.gz	NMSBRQOFJTVBPX-DAXSKMNVSA-N	2	2	438.536	1.669	20	5		IDBDLP
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1	ZINC001164875603	721283524	/nfs/dbraw/zinc/28/35/24/721283524.db2.gz	XMVRLWDTLJIPDO-YVMONPNESA-N	2	2	446.552	1.529	20	5		IDBDLP
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1	ZINC001164875603	721283528	/nfs/dbraw/zinc/28/35/28/721283528.db2.gz	XMVRLWDTLJIPDO-YVMONPNESA-N	2	2	446.552	1.529	20	5		IDBDLP
C[NH+](C)/C=C/c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-]	ZINC001165001859	722236947	/nfs/dbraw/zinc/23/69/47/722236947.db2.gz	NMSBRQOFJTVBPX-QPJJXVBHSA-N	2	2	438.536	1.669	20	5		IDBDLP
C[NH+](C)/C=C/c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncc1[N+](=O)[O-]	ZINC001164799240	721518755	/nfs/dbraw/zinc/51/87/55/721518755.db2.gz	ZSOLXUVFWOJVPP-SNAWJCMRSA-N	2	2	426.525	1.486	20	5		IDBDLP