smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(O)c(O)c(C[NH+]2CCCC2)c2oc(-c3ccccc3)cc(O)c1-2	ZINC000040917458	205085118	/nfs/dbraw/zinc/08/51/18/205085118.db2.gz	ZFFYRARIZRJGOO-UHFFFAOYSA-N	1	2	353.374	3.173	1	10		FGCFLO
CC(C)(C)C(=O)N1Cc2cnnn2-c2ccc([NH+]3CCCCC3)cc2C1	ZINC000095603033	534464126	/nfs/dbraw/zinc/46/41/26/534464126.db2.gz	YXOOZGJSAONFOL-UHFFFAOYSA-N	1	2	353.470	3.146	3	10		FGCFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@@H+](C)C[C@@H]3OC	ZINC000095099639	291071527	/nfs/dbraw/zinc/07/15/27/291071527.db2.gz	ZWSNXMWHYIBIJA-GUYCJALGSA-N	1	2	357.406	3.012	1	10	biogenic,in-vitro	FGCFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@H+](C)C[C@@H]3OC	ZINC000095099639	291071530	/nfs/dbraw/zinc/07/15/30/291071530.db2.gz	ZWSNXMWHYIBIJA-GUYCJALGSA-N	1	2	357.406	3.012	1	10	biogenic,in-vitro	FGCFLO
COc1cc2c(cc1OC)C[N@@H+]1CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2	ZINC000014715497	210182480	/nfs/dbraw/zinc/18/24/80/210182480.db2.gz	ONWMFADVKAKDCA-HNNXBMFYSA-N	1	2	371.433	3.082	1	10		FGCFLO
COc1cc2c(cc1OC)C[N@H+]1CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2	ZINC000014715497	210182484	/nfs/dbraw/zinc/18/24/84/210182484.db2.gz	ONWMFADVKAKDCA-HNNXBMFYSA-N	1	2	371.433	3.082	1	10		FGCFLO
COc1cc(OC)c(C(=O)c2cccc(F)c2)c(O)c1C[NH+]1CCCC1	ZINC000049112032	221019513	/nfs/dbraw/zinc/01/95/13/221019513.db2.gz	WDKVOQDTNUONSQ-UHFFFAOYSA-N	1	2	359.397	3.375	1	10		FGCFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@@H+](C)C[C@H]3OC	ZINC000095099640	291071558	/nfs/dbraw/zinc/07/15/58/291071558.db2.gz	ZWSNXMWHYIBIJA-SUMWQHHRSA-N	1	2	357.406	3.012	1	10	biogenic,in-vitro	FGCFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@H+](C)C[C@H]3OC	ZINC000095099640	291071561	/nfs/dbraw/zinc/07/15/61/291071561.db2.gz	ZWSNXMWHYIBIJA-SUMWQHHRSA-N	1	2	357.406	3.012	1	10	biogenic,in-vitro	FGCFLO
CC[NH+](CC)CCOc1ccc2c(c1)O[C@@H]1C2=C(O)c2ccccc2C1=O	ZINC000026173836	220506445	/nfs/dbraw/zinc/50/64/45/220506445.db2.gz	HRGYVYLNOUCSJW-DENIHFKCSA-N	1	2	365.429	3.331	1	10		FGCFLO
C[C@]1(COc2ccc([NH+]3CCCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	ZINC000034086760	132934416	/nfs/dbraw/zinc/93/44/16/132934416.db2.gz	JCZNXGBEHBGSOI-GOSISDBHSA-N	1	2	358.398	3.012	1	10		FGCFLO