smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(#CCC1(Cc2ccccc2)c2ccccc2-c2ccccc21)CN1CCCCCC1	ZINC000001908326	560185200	/nfs/dbraw/zinc/18/52/00/560185200.db2.gz	ZKLIBSYZMKSRJE-UHFFFAOYSA-N	0	3	405.585	6.465	10	30	in-vitro	HKEEHN
CCN(Cc1ccccc1)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1	ZINC000006318654	557699065	/nfs/dbraw/zinc/69/90/65/557699065.db2.gz	YBXCUOANNJNYCV-QUPMIFSKSA-N	0	3	405.545	6.885	10	30		HKEEHN
C=CCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1	ZINC000010475008	560769548	/nfs/dbraw/zinc/76/95/48/560769548.db2.gz	OHTGEZOLGAIJTK-UHFFFAOYSA-N	0	3	411.137	5.066	10	30		HKEEHN
C/N=C(\SCC(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccc(OC)cc1	ZINC000020160120	558342652	/nfs/dbraw/zinc/34/26/52/558342652.db2.gz	VPZSXLVWISITCP-QPLCGJKRSA-N	0	3	418.562	5.299	10	30		HKEEHN
C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)CC1	ZINC000020598782	518641784	/nfs/dbraw/zinc/64/17/84/518641784.db2.gz	DQPFRANNOSHPLT-OAQYLSRUSA-N	0	3	404.558	5.075	10	30		HKEEHN
O=C(/C=C\C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(Br)cc1	ZINC000033374011	527652400	/nfs/dbraw/zinc/65/24/00/527652400.db2.gz	ONVJJRWGKQMIPO-YPKPFQOOSA-N	0	3	422.366	6.031	10	30		HKEEHN
CCN(Cc1ccccc1)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(C)c1	ZINC000090398645	559068578	/nfs/dbraw/zinc/06/85/78/559068578.db2.gz	UQUABALWHGKKTJ-JBASAIQMSA-N	0	3	419.572	7.194	10	30		HKEEHN
CCCCCCCNCc1cc(Br)cc(OC)c1OCc1ccccc1	ZINC000102554249	559151074	/nfs/dbraw/zinc/15/10/74/559151074.db2.gz	ZITHXWGVOUIRNN-UHFFFAOYSA-N	0	3	420.391	6.097	10	30		HKEEHN
CCCCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl	ZINC000102556156	559151036	/nfs/dbraw/zinc/15/10/36/559151036.db2.gz	DMUVVAUHJGMNHW-UHFFFAOYSA-N	0	3	407.957	6.517	10	30		HKEEHN
CCCCCCCCNCc1cc(Br)ccc1OCc1ccc(C)cc1	ZINC000102557155	559151024	/nfs/dbraw/zinc/15/10/24/559151024.db2.gz	GVPPXLOWVSAKFN-UHFFFAOYSA-N	0	3	418.419	6.787	10	30		HKEEHN
CCCCCCCNCc1cc(Br)ccc1OCc1ccc(C)cc1	ZINC000102557215	559151030	/nfs/dbraw/zinc/15/10/30/559151030.db2.gz	ZHUOROYIXWCYIZ-UHFFFAOYSA-N	0	3	404.392	6.397	10	30		HKEEHN
CCCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC000104313948	559160279	/nfs/dbraw/zinc/16/02/79/559160279.db2.gz	YGYUYAQZFAGVAP-UHFFFAOYSA-N	0	3	424.412	7.031	10	30		HKEEHN
CCCCCCCCNCc1cccc(OCC)c1OCc1ccccc1Cl	ZINC000104318750	559160302	/nfs/dbraw/zinc/16/03/02/559160302.db2.gz	TVYVZVJGSPXADZ-UHFFFAOYSA-N	0	3	403.994	6.768	10	30		HKEEHN
CCCCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1	ZINC000104318955	559160330	/nfs/dbraw/zinc/16/03/30/559160330.db2.gz	BNWDBMAITHXBMY-UHFFFAOYSA-N	0	3	403.994	6.768	10	30		HKEEHN
CCCCCCCNCc1cc(Br)cc(Br)c1OCCC	ZINC000104466407	559161172	/nfs/dbraw/zinc/16/11/72/559161172.db2.gz	VOGDNZKJBTWKBU-UHFFFAOYSA-N	0	3	421.217	6.060	10	30		HKEEHN