smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000218127867	568475425	/nfs/dbraw/zinc/47/54/25/568475425.db2.gz	HXEAZAQQWITZGS-BFSLETRISA-N	1	2	422.485	1.948	50	70		HDIALO
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)c1c2[nH]s[nH+]c-2ccc1=O	ZINC000218194915	568476161	/nfs/dbraw/zinc/47/61/61/568476161.db2.gz	WXJQSWTUXADPJC-LLVKDONJSA-N	1	2	417.443	1.965	50	70		HDIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH+]c[nH]1	ZINC000217864396	568916631	/nfs/dbraw/zinc/91/66/31/568916631.db2.gz	QFMMVHRYSCJVNX-HXUWFJFHSA-N	1	2	401.426	1.883	50	70	biogenic	HDIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]c[nH+]1	ZINC000217864396	568916634	/nfs/dbraw/zinc/91/66/34/568916634.db2.gz	QFMMVHRYSCJVNX-HXUWFJFHSA-N	1	2	401.426	1.883	50	70	biogenic	HDIALO
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)c1c2[nH]s[nH+]c-2ccc1=O	ZINC000218194986	568476153	/nfs/dbraw/zinc/47/61/53/568476153.db2.gz	WXJQSWTUXADPJC-NSHDSACASA-N	1	2	417.443	1.965	50	70		HDIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH+]c[nH]1	ZINC000217864476	568916601	/nfs/dbraw/zinc/91/66/01/568916601.db2.gz	QFMMVHRYSCJVNX-FQEVSTJZSA-N	1	2	401.426	1.883	50	70	biogenic	HDIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]c[nH+]1	ZINC000217864476	568916602	/nfs/dbraw/zinc/91/66/02/568916602.db2.gz	QFMMVHRYSCJVNX-FQEVSTJZSA-N	1	2	401.426	1.883	50	70	biogenic	HDIALO
O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218629816	568942245	/nfs/dbraw/zinc/94/22/45/568942245.db2.gz	JKPQPLODQWNGQC-UHFFFAOYSA-N	1	2	415.461	1.265	50	70		HDIALO
COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(O)c(CN3CCOCC3)o1)CC2	ZINC000217737591	568909019	/nfs/dbraw/zinc/90/90/19/568909019.db2.gz	OZAWSIXOJJJAGC-UHFFFAOYSA-N	1	2	416.474	1.753	50	70	biogenic	HDIALO
COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(O)c(CN3CCOCC3)o1)CC2	ZINC000217737591	568909021	/nfs/dbraw/zinc/90/90/21/568909021.db2.gz	OZAWSIXOJJJAGC-UHFFFAOYSA-N	1	2	416.474	1.753	50	70	biogenic	HDIALO
COc1ccccc1N1CC[NH+](Cc2c([O-])c(C[NH+]3CCOCC3)coc2=O)CC1	ZINC000218550048	568481616	/nfs/dbraw/zinc/48/16/16/568481616.db2.gz	NGFLMWXGLPPJTN-UHFFFAOYSA-N	1	2	415.490	1.508	50	70		HDIALO
COc1cccc(N2CC[NH+](Cc3c([O-])c(C[NH+]4CCOCC4)coc3=O)CC2)c1	ZINC000218607104	568482358	/nfs/dbraw/zinc/48/23/58/568482358.db2.gz	WASHJLWBDQLCAT-UHFFFAOYSA-N	1	2	415.490	1.508	50	70		HDIALO