smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040392083	205068269	/nfs/dbraw/zinc/06/82/69/205068269.db2.gz	ORSKJVFENCQMOI-UHFFFAOYSA-N	0	1	353.418	3.799	1	10		FHCFMN
C[C@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(O)c-3c(=O)c2C1(C)C	ZINC000043076877	205100585	/nfs/dbraw/zinc/10/05/85/205100585.db2.gz	TZSQNOYZVLLQQY-SECBINFHSA-N	0	1	354.358	3.635	1	10		FHCFMN
CC1(C)C=Cc2c(cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc2-3)O1	ZINC000013373998	560215303	/nfs/dbraw/zinc/21/53/03/560215303.db2.gz	QNSVTPUDNHNRQZ-UHFFFAOYSA-N	0	1	352.342	3.761	1	10	in-vitro	FHCFMN
O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1cccc(Cl)c1	ZINC000045211011	208327007	/nfs/dbraw/zinc/32/70/07/208327007.db2.gz	HJMDXWUXGMCUCS-GOSISDBHSA-N	0	1	358.869	3.830	1	10		FHCFMN
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2	ZINC000058566859	212012679	/nfs/dbraw/zinc/01/26/79/212012679.db2.gz	AAMHKUSHZPJSMY-FEAYWXOISA-N	0	1	361.394	3.777	1	10		FHCFMN
CCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066075719	221239322	/nfs/dbraw/zinc/23/93/22/221239322.db2.gz	BVBIAGFWBHXIBM-QGZVFWFLSA-N	0	1	357.425	3.978	1	10		FHCFMN
COc1ccc2nc3ccccc3c(NCCC[N+](C)(C)[O-])c2c1[N+](=O)[O-]	ZINC000026568572	717114139	/nfs/dbraw/zinc/11/41/39/717114139.db2.gz	SPWBUPLVHPUUBF-UHFFFAOYSA-N	0	1	370.409	3.681	1	10		FHCFMN
CCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074306	221239434	/nfs/dbraw/zinc/23/94/34/221239434.db2.gz	WFXYNLKNMYICFR-QGZVFWFLSA-N	0	1	357.425	3.978	1	10		FHCFMN
C[N+](C)(Cc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1	ZINC000095587156	717139294	/nfs/dbraw/zinc/13/92/94/717139294.db2.gz	OAADLWXSWBRILF-UHFFFAOYSA-O	0	1	374.416	3.640	1	10		FHCFMN
CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc2c(=O)cc(C)oc21	ZINC000064510317	221147724	/nfs/dbraw/zinc/14/77/24/221147724.db2.gz	ZLFFFYZJGWGAKR-UHFFFAOYSA-N	0	1	353.418	3.838	1	10		FHCFMN