smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1CC[NH+]1CCOCC1	ZINC000038829011	558816105	/nfs/dbraw/zinc/81/61/05/558816105.db2.gz	OCOLJQIWJWEYGT-UHFFFAOYSA-N	1	2	403.442	1.428	40	5		HDBBLO
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974116	568586271	/nfs/dbraw/zinc/58/62/71/568586271.db2.gz	YNRPWYVNVOKXKR-LBPRGKRZSA-N	1	2	411.422	1.940	40	5		HDBBLO
O=C(NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144545	568901564	/nfs/dbraw/zinc/90/15/64/568901564.db2.gz	ZIIDYCAAAGBDRQ-FZKQIMNGSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144545	568901566	/nfs/dbraw/zinc/90/15/66/568901566.db2.gz	ZIIDYCAAAGBDRQ-FZKQIMNGSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000026533389	569032917	/nfs/dbraw/zinc/03/29/17/569032917.db2.gz	NYQKIMQDSDIMFJ-QGZVFWFLSA-N	1	2	415.446	1.881	40	5		HDBBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000016740359	569261936	/nfs/dbraw/zinc/26/19/36/569261936.db2.gz	HQTWSROMNRRDIC-UHFFFAOYSA-N	1	2	404.448	1.783	40	5		HDBBLO
CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC[NH+]1CCOCC1	ZINC000020051750	558328728	/nfs/dbraw/zinc/32/87/28/558328728.db2.gz	IZRSOPOLWIOSAJ-UHFFFAOYSA-N	1	2	410.478	1.045	40	5		HDBBLO
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12	ZINC000033362045	568514318	/nfs/dbraw/zinc/51/43/18/568514318.db2.gz	OEFLGVMKOKDVDW-XLAORIBOSA-N	1	2	404.382	1.596	40	5		HDBBLO
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12	ZINC000033362045	568514319	/nfs/dbraw/zinc/51/43/19/568514319.db2.gz	OEFLGVMKOKDVDW-XLAORIBOSA-N	1	2	404.382	1.596	40	5		HDBBLO
CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2	ZINC000306123784	568900758	/nfs/dbraw/zinc/90/07/58/568900758.db2.gz	AWPJOBHAFLWNEK-QUCCMNQESA-N	1	2	406.483	1.492	40	5		HDBBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000016740343	569261927	/nfs/dbraw/zinc/26/19/27/569261927.db2.gz	IZRLNFUIXGOMGX-UHFFFAOYSA-N	1	2	404.448	1.783	40	5		HDBBLO
CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2	ZINC000306123785	568900745	/nfs/dbraw/zinc/90/07/45/568900745.db2.gz	AWPJOBHAFLWNEK-UYAOXDASSA-N	1	2	406.483	1.492	40	5		HDBBLO
O=C(NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144546	568901552	/nfs/dbraw/zinc/90/15/52/568901552.db2.gz	ZIIDYCAAAGBDRQ-SCLBCKFNSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=C(NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144546	568901554	/nfs/dbraw/zinc/90/15/54/568901554.db2.gz	ZIIDYCAAAGBDRQ-SCLBCKFNSA-N	1	2	406.395	1.356	40	5		HDBBLO
CCn1ncc(C[NH+]2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)c1C	ZINC000022418546	568767797	/nfs/dbraw/zinc/76/77/97/568767797.db2.gz	SSMQCKAFVWECRG-UHFFFAOYSA-N	1	2	403.487	1.667	40	5		HDBBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000216884688	568836842	/nfs/dbraw/zinc/83/68/42/568836842.db2.gz	ZQNUDWGQCVNWEO-UHFFFAOYSA-N	1	2	418.475	1.924	40	5		HDBBLO
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974115	568586120	/nfs/dbraw/zinc/58/61/20/568586120.db2.gz	YNRPWYVNVOKXKR-GFCCVEGCSA-N	1	2	411.422	1.940	40	5		HDBBLO
CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2	ZINC000306123782	568900486	/nfs/dbraw/zinc/90/04/86/568900486.db2.gz	AWPJOBHAFLWNEK-AZUAARDMSA-N	1	2	406.483	1.492	40	5		HDBBLO
C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000223643471	569030704	/nfs/dbraw/zinc/03/07/04/569030704.db2.gz	PRQQRYWSBPDCEV-UHFFFAOYSA-N	1	2	404.448	1.783	40	5		HDBBLO
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000026781539	569056613	/nfs/dbraw/zinc/05/66/13/569056613.db2.gz	ZXYGAULAYUVPAM-SFHVURJKSA-N	1	2	415.446	1.881	40	5		HDBBLO
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000027076015	569072900	/nfs/dbraw/zinc/07/29/00/569072900.db2.gz	OEFLGVMKOKDVDW-WNRNVDISSA-N	1	2	404.382	1.596	40	5		HDBBLO
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000027076015	569072901	/nfs/dbraw/zinc/07/29/01/569072901.db2.gz	OEFLGVMKOKDVDW-WNRNVDISSA-N	1	2	404.382	1.596	40	5		HDBBLO
C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1	ZINC000035461850	569038078	/nfs/dbraw/zinc/03/80/78/569038078.db2.gz	YNYGHXKQBKUAIJ-UHFFFAOYSA-N	1	2	404.448	1.783	40	5		HDBBLO
CN(C)C(=O)C[NH2+][C@H]1CCCC[C@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2	ZINC000306123783	568900623	/nfs/dbraw/zinc/90/06/23/568900623.db2.gz	AWPJOBHAFLWNEK-ICSRJNTNSA-N	1	2	406.483	1.492	40	5		HDBBLO
O=C(NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144547	568901761	/nfs/dbraw/zinc/90/17/61/568901761.db2.gz	ZIIDYCAAAGBDRQ-UGSOOPFHSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144547	568901762	/nfs/dbraw/zinc/90/17/62/568901762.db2.gz	ZIIDYCAAAGBDRQ-UGSOOPFHSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000026781537	569056634	/nfs/dbraw/zinc/05/66/34/569056634.db2.gz	ZXYGAULAYUVPAM-GOSISDBHSA-N	1	2	415.446	1.881	40	5		HDBBLO
C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000223651475	569030802	/nfs/dbraw/zinc/03/08/02/569030802.db2.gz	JUQXSNAAYJANRH-UHFFFAOYSA-N	1	2	404.448	1.783	40	5		HDBBLO
O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144544	568901754	/nfs/dbraw/zinc/90/17/54/568901754.db2.gz	ZIIDYCAAAGBDRQ-ACJLOTCBSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144544	568901755	/nfs/dbraw/zinc/90/17/55/568901755.db2.gz	ZIIDYCAAAGBDRQ-ACJLOTCBSA-N	1	2	406.395	1.356	40	5		HDBBLO
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000026533394	569032891	/nfs/dbraw/zinc/03/28/91/569032891.db2.gz	NYQKIMQDSDIMFJ-KRWDZBQOSA-N	1	2	415.446	1.881	40	5		HDBBLO
COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015676510	291194617	/nfs/dbraw/zinc/19/46/17/291194617.db2.gz	HIOLOLKUVNKKOF-HNNXBMFYSA-N	1	2	408.436	1.661	40	5	biogenic,in-vitro	HDBBLO
CCCNc1nc2nc3ccccn3c(=O)c2cc1C(=O)NCC[NH+]1CCOCC1	ZINC000004520301	560608276	/nfs/dbraw/zinc/60/82/76/560608276.db2.gz	ATPPBLPRHKBZBL-UHFFFAOYSA-N	1	2	410.478	1.127	40	5		HDBBLO