smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2-c2ccc(N[N+](=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc21	ZINC000003953843	560191676	/nfs/dbraw/zinc/19/16/76/560191676.db2.gz	JSNDZHZWPXDSIA-DQSJHHFOSA-N	1	0	402.409	6.035	1	10	in-vitro	HKCFRO
CC[n+]1c(/C=C2\C=Cc3ccccc3N2CC)sc2ccc(Br)cc21	ZINC000005128462	132301751	/nfs/dbraw/zinc/30/17/51/132301751.db2.gz	KXNYWKSRPDRTPG-UHFFFAOYSA-N	1	0	412.376	5.865	1	10		HKCFRO
C[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc(CN2CCSCC2)cc1	ZINC000052969628	717130540	/nfs/dbraw/zinc/13/05/40/717130540.db2.gz	JECVFMSLAKGHIR-UHFFFAOYSA-N	1	0	403.615	5.670	1	10		HKCFRO
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)[NH2+][C@@H]4C)c(C)cc(OC)c12	ZINC000095486149	291293872	/nfs/dbraw/zinc/29/38/72/291293872.db2.gz	FXTOKXMBXDISIX-HUUCEWRRSA-N	1	0	407.510	5.147	1	10	biogenic,in-vitro	HKCFRO
COc1cc(C)cc2c1c(O)cc(C)c2-c1c(O)cc(O)c2c1C[C@@H](C)[N@H+](C)[C@@H]2C	ZINC000095486155	291293862	/nfs/dbraw/zinc/29/38/62/291293862.db2.gz	LZTDUHSZESGGRE-HUUCEWRRSA-N	1	0	407.510	5.186	1	10	biogenic,in-vitro	HKCFRO
COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(O)c2c1C[C@H](C)[N@H+](C)[C@@H]2C	ZINC000095486165	291294215	/nfs/dbraw/zinc/29/42/15/291294215.db2.gz	KTLBUSLEVHZILI-JKSUJKDBSA-N	1	0	421.537	5.484	1	10	biogenic,in-vitro	HKCFRO
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3ccc(O)c(O)c3)CCC[C@]21C	ZINC000005242786	557641426	/nfs/dbraw/zinc/64/14/26/557641426.db2.gz	MVEQVHMCOXYWCT-GMQQYTKMSA-N	1	0	407.598	6.021	2	10		HKCFRO