smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[18F]c1ccc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)cc1	ZINC000102906873	204054547	/nfs/dbraw/zinc/05/45/47/204054547.db2.gz	OEFFTIMBYVFOPK-LRFGSCOBSA-N	1	1	327.390	2.919	1	10		EFCFMO
CCC1C(=O)[n+]2c3ccc(OC)cc3sc2N(CC2CC2)C1=O	ZINC000100979449	219112728	/nfs/dbraw/zinc/11/27/28/219112728.db2.gz	PHGRQFXTRNKODV-LBPRGKRZSA-N	1	1	331.417	2.620	1	10		EFCFMO
CCC1C(=O)[n+]2c3ccc(OC)cc3sc2N(CC2CC2)C1=O	ZINC000100979453	204000490	/nfs/dbraw/zinc/00/04/90/204000490.db2.gz	PHGRQFXTRNKODV-GFCCVEGCSA-N	1	1	331.417	2.620	1	10		EFCFMO
COc1ccc2c(c1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N@H+]1C)OCO4	ZINC000014612791	560223016	/nfs/dbraw/zinc/22/30/16/560223016.db2.gz	TWCBVLWZBWYIRW-KBPBESRZSA-N	1	1	325.364	2.956	1	10	biogenic,in-vitro	EFCFMO
C[NH+](C)CCNC(=O)c1ccc(Cl)c2c(N)c3ccccc3nc12	ZINC000027525961	202156148	/nfs/dbraw/zinc/15/61/48/202156148.db2.gz	OTMHSPHOQLVJBM-UHFFFAOYSA-N	1	1	342.830	2.915	1	10		EFCFMO
O=C(c1ccccc1)N1CC[NH+](Cc2ccc3cccnc3c2O)CC1	ZINC000053243050	214172330	/nfs/dbraw/zinc/17/23/30/214172330.db2.gz	ACODOJQEXGOBAH-UHFFFAOYSA-N	1	1	347.418	2.898	1	10		EFCFMO
Cc1cc2cc(C(=O)N3CC[NH+](C)CC3)c(=O)oc2c2ccccc12	ZINC000073158827	216358578	/nfs/dbraw/zinc/35/85/78/216358578.db2.gz	IJUKEVSUCVGXSI-UHFFFAOYSA-N	1	1	336.391	2.642	1	10		EFCFMO
COc1ccc2c(c1O)[C@H]1Cc3cc(OC)c(O)cc3[C@@H](C2)[N@H+]1C	ZINC000095913765	560056369	/nfs/dbraw/zinc/05/63/69/560056369.db2.gz	PLGXEPHZCXBYLP-ZIAGYGMSSA-N	1	1	327.380	2.941	1	10	biogenic,in-vitro	EFCFMO
COc1ccc2c(c1O)[C@H]1Cc3cc(OC)c(O)cc3[C@@H](C2)[N@@H+]1C	ZINC000095913765	560056371	/nfs/dbraw/zinc/05/63/71/560056371.db2.gz	PLGXEPHZCXBYLP-ZIAGYGMSSA-N	1	1	327.380	2.941	1	10	biogenic,in-vitro	EFCFMO