smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3cccs3)N(C)C)CC2)c([N+](=O)[O-])c1	ZINC000514292696	1059156173	/nfs/dbraw/zinc/15/61/73/1059156173.db2.gz	OTUPYQSMARGUOW-JOCHJYFZSA-N	0	1	537.708	3.322	20	5		KGBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c([N+](=O)[O-])c1	ZINC000514292697	1059156226	/nfs/dbraw/zinc/15/62/26/1059156226.db2.gz	OTUPYQSMARGUOW-QFIPXVFZSA-N	0	1	537.708	3.322	20	5		KGBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)CC1	ZINC000514294297	1059182666	/nfs/dbraw/zinc/18/26/66/1059182666.db2.gz	ZUCFQLSPPSSJQS-UHFFFAOYSA-N	0	1	515.636	3.003	20	5		KGBDMN
CCN1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1	ZINC000514300071	1059236639	/nfs/dbraw/zinc/23/66/39/1059236639.db2.gz	RTUJNRPFJFINFM-UHFFFAOYSA-N	0	1	515.636	3.085	20	5		KGBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2)c([N+](=O)[O-])c1	ZINC000514377825	1059321478	/nfs/dbraw/zinc/32/14/78/1059321478.db2.gz	KWPUKRCBIYGBDS-RUZDIDTESA-N	0	1	549.669	3.400	20	5		KGBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)c([N+](=O)[O-])c1	ZINC000514377826	1059321523	/nfs/dbraw/zinc/32/15/23/1059321523.db2.gz	KWPUKRCBIYGBDS-VWLOTQADSA-N	0	1	549.669	3.400	20	5		KGBDMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1	ZINC000514381628	1059425069	/nfs/dbraw/zinc/42/50/69/1059425069.db2.gz	LXYPQVGTSLRHKV-UHFFFAOYSA-N	0	1	559.670	3.225	20	5		KGBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000514382355	1059417448	/nfs/dbraw/zinc/41/74/48/1059417448.db2.gz	KPMSBFJJSQOHOA-UHFFFAOYSA-N	0	1	519.624	3.028	20	5		KGBDMN
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000514384180	1059350603	/nfs/dbraw/zinc/35/06/03/1059350603.db2.gz	POFIYVCAJQVKQV-UHFFFAOYSA-N	0	1	607.733	3.330	20	5		KGBDMN
COc1ccc(NC(=O)CCN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c([N+](=O)[O-])c1	ZINC000514394377	1059494184	/nfs/dbraw/zinc/49/41/84/1059494184.db2.gz	LPZGXNPFKKACKY-UHFFFAOYSA-N	0	1	526.619	3.339	20	5		KGBDMN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514405242	1059516069	/nfs/dbraw/zinc/51/60/69/1059516069.db2.gz	SWIWILFOLBGCCI-UHFFFAOYSA-N	0	1	539.054	3.438	20	5		KGBDMN