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(NCc1ccco1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217575521	570318491	/nfs/dbraw/zinc/31/84/91/570318491.db2.gz	JGWQRJGLHWYDOH-FVJLSDCUSA-N	0	1	395.503	2.533	40	70		GFIBMN
O=C(NC1CCCC1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217582059	570318580	/nfs/dbraw/zinc/31/85/80/570318580.db2.gz	AMLALXPVGJLMPH-FVJLSDCUSA-N	0	1	383.536	2.682	40	70		GFIBMN
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000216944498	570310003	/nfs/dbraw/zinc/31/00/03/570310003.db2.gz	PXUJQJKRKKREFE-UHFFFAOYSA-N	0	1	387.505	2.620	40	70		GFIBMN
COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]2)cc1	ZINC000218019462	570324118	/nfs/dbraw/zinc/32/41/18/570324118.db2.gz	XDHILGUKIZFGFU-GOEBONIOSA-N	0	1	390.443	2.507	40	70		GFIBMN
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC[NH+](C)CC3)c2)cc1	ZINC000216944072	570309950	/nfs/dbraw/zinc/30/99/50/570309950.db2.gz	NMZDMPIFOPAAKK-UHFFFAOYSA-N	0	1	387.505	2.620	40	70		GFIBMN
O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2nc3ccccc3[nH]2)CC1	ZINC000160113730	570715066	/nfs/dbraw/zinc/71/50/66/570715066.db2.gz	SDVNRYUNPWVWSS-UHFFFAOYSA-N	0	1	378.461	2.977	40	70		GFIBMN
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000216940370	570309865	/nfs/dbraw/zinc/30/98/65/570309865.db2.gz	FUZNQKTVSDVVTA-UHFFFAOYSA-N	0	1	387.505	2.620	40	70		GFIBMN
NC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1	ZINC000218409761	570333579	/nfs/dbraw/zinc/33/35/79/570333579.db2.gz	IWANRFFLQDFMFV-UHFFFAOYSA-N	0	1	395.440	2.839	40	70		GFIBMN
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC1CC[NH+](C)CC1	ZINC000216944269	570310021	/nfs/dbraw/zinc/31/00/21/570310021.db2.gz	DVBMIZSEXWYPSM-UHFFFAOYSA-N	0	1	387.505	2.620	40	70		GFIBMN