smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000217440161	568471977	/nfs/dbraw/zinc/47/19/77/568471977.db2.gz	RJIRXXZCCHBEJI-SQWLQELKSA-N	1	1	409.313	3.014	40	70		HGIBMO
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216940836	568469581	/nfs/dbraw/zinc/46/95/81/568469581.db2.gz	JVJAZOIOZVEMNR-UHFFFAOYSA-N	1	1	421.950	3.273	40	70		HGIBMO
CN1CC[NH+](CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1	ZINC000217013767	568470239	/nfs/dbraw/zinc/47/02/39/568470239.db2.gz	ZAKWDHVELMALSC-UHFFFAOYSA-N	1	1	401.938	3.286	40	70		HGIBMO
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Cl	ZINC000216940754	568469472	/nfs/dbraw/zinc/46/94/72/568469472.db2.gz	ZXYIVJKOWORFFX-UHFFFAOYSA-N	1	1	421.950	3.273	40	70		HGIBMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+]([C@@H](c2nnnn2-c2ccccc2)c2ccccc2)C1	ZINC000217384146	568471848	/nfs/dbraw/zinc/47/18/48/568471848.db2.gz	MTAIYTIOQSSQHB-LJFZDNNRSA-N	1	1	424.508	3.033	40	70		HGIBMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+]([C@@H](c2nnnn2-c2ccccc2)c2ccccc2)C1	ZINC000217384146	568471849	/nfs/dbraw/zinc/47/18/49/568471849.db2.gz	MTAIYTIOQSSQHB-LJFZDNNRSA-N	1	1	424.508	3.033	40	70		HGIBMO
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216843964	568468045	/nfs/dbraw/zinc/46/80/45/568468045.db2.gz	ZYKJSTVLZZFANH-UHFFFAOYSA-N	1	1	421.526	3.153	40	70		HGIBMO