smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc3[nH]cnc3c1)C2	ZINC000097112032	568713937	/nfs/dbraw/zinc/71/39/37/568713937.db2.gz	TZWREXDEYXJPGB-DEOSSOPVSA-N	1	2	416.529	4.272	10	30		HIEELO
Cc1cc(C(=O)ONC(=[NH2+])c2cccc(C(F)(F)F)c2)nn1Cc1ccc(C)cc1	ZINC000004394924	557551774	/nfs/dbraw/zinc/55/17/74/557551774.db2.gz	RMWQZKYRWRMVPM-UHFFFAOYSA-N	1	2	416.403	4.044	10	30		HIEELO
CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccc3[nH]cnc3c1)C2	ZINC000097112029	568713991	/nfs/dbraw/zinc/71/39/91/568713991.db2.gz	TZWREXDEYXJPGB-XMMPIXPASA-N	1	2	416.529	4.272	10	30		HIEELO
Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000016677887	558798988	/nfs/dbraw/zinc/79/89/88/558798988.db2.gz	AFTWKQIYGDIQGK-XYGWBWBKSA-N	1	2	407.949	4.294	10	30		HIEELO
CCN(CC)c1ccc(C=[NH+]Nc2nnc(SCc3ccccc3OC)[nH]2)cc1	ZINC000005927866	557681017	/nfs/dbraw/zinc/68/10/17/557681017.db2.gz	LFKZSYYAZCHJGT-HYARGMPZSA-N	1	2	410.547	4.398	10	30		HIEELO
CCOc1ccc(NC(NC(=O)c2ccc(C)c(F)c2)=[NH+]Cc2ccncc2)cc1	ZINC000045940023	568421700	/nfs/dbraw/zinc/42/17/00/568421700.db2.gz	VLZKSSAIIJCDIG-UHFFFAOYSA-N	1	2	406.461	4.135	10	30		HIEELO