smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(CNCc2ccco2)ccc1OCc1c(F)cccc1Cl	ZINC000040737430	570610167	/nfs/dbraw/zinc/61/01/67/570610167.db2.gz	BMVXQWZDFYRWLX-UHFFFAOYSA-N	0	1	389.854	5.340	20	0		GKADMN
CCCOc1c(Br)cc(CNCc2ccc(F)cc2)cc1OCC	ZINC000020932466	570285386	/nfs/dbraw/zinc/28/53/86/570285386.db2.gz	UZSSTMAFNIEAEJ-UHFFFAOYSA-N	0	1	396.300	5.066	20	0		GKADMN
CC(=O)c1c(C)cc(C)c(CN[C@H](c2ccccc2)c2ccc(F)cc2)c1C	ZINC000071982624	211068305	/nfs/dbraw/zinc/06/83/05/211068305.db2.gz	CYODWAUEEVRFSA-RUZDIDTESA-N	0	1	375.487	5.833	20	0		GKADMN
COc1ccc2nc(S[C@H](C)C(=O)Nc3c(C)cccc3C(C)C)[nH]c2c1	ZINC000004273648	220699485	/nfs/dbraw/zinc/69/94/85/220699485.db2.gz	ANLGDZDDABTNHG-CQSZACIVSA-N	0	1	383.517	5.123	20	0		GKADMN
Cc1nc(-c2cccc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)c2)cs1	ZINC000014499308	221311271	/nfs/dbraw/zinc/31/12/71/221311271.db2.gz	XMJFLNBECFQECZ-UHFFFAOYSA-N	0	1	394.887	5.414	20	0		GKADMN
Cc1[nH]c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc1Cc1ccccc1	ZINC000004492423	209121110	/nfs/dbraw/zinc/12/11/10/209121110.db2.gz	ONUDYCWXTSOMHT-UHFFFAOYSA-N	0	1	399.947	5.310	20	0		GKADMN
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(n2)CCCC3)o1	ZINC000444019233	370692304	/nfs/dbraw/zinc/69/23/04/370692304.db2.gz	WWRVPTPMTRSQNR-UHFFFAOYSA-N	0	1	398.510	5.004	20	0		GKADMN
COc1ccccc1CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1	ZINC000013720263	221284716	/nfs/dbraw/zinc/28/47/16/221284716.db2.gz	XMHQPTYSOPBTBZ-UHFFFAOYSA-N	0	1	397.902	5.226	20	0		GKADMN
CC(=O)c1c(C)cc(C)c(CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1C	ZINC000071982623	222203157	/nfs/dbraw/zinc/20/31/57/222203157.db2.gz	CYODWAUEEVRFSA-VWLOTQADSA-N	0	1	375.487	5.833	20	0		GKADMN
CCCOc1c(Br)cc(CNCc2ccccc2Cl)cc1OC	ZINC000020932759	570288419	/nfs/dbraw/zinc/28/84/19/570288419.db2.gz	SDGCYJMHUZFQPN-UHFFFAOYSA-N	0	1	398.728	5.190	20	0		GKADMN
C[C@@H](N[C@@H](C)c1ccc(Br)s1)c1ccccc1OC(F)F	ZINC000038002952	207249845	/nfs/dbraw/zinc/24/98/45/207249845.db2.gz	RNWLMXRXSRYKCT-ZJUUUORDSA-N	0	1	376.266	5.524	20	0		GKADMN
COc1ccc2nc(SCC(=O)Nc3c(C(C)C)cccc3C(C)C)[nH]c2c1	ZINC000004252323	209120154	/nfs/dbraw/zinc/12/01/54/209120154.db2.gz	MXZDFXMXDWGYCK-UHFFFAOYSA-N	0	1	397.544	5.549	20	0		GKADMN
C[C@H](NCc1cc(Br)cs1)c1ccccc1Br	ZINC000034996222	207482626	/nfs/dbraw/zinc/48/26/26/207482626.db2.gz	SLJVWRGZEPARRE-VIFPVBQESA-N	0	1	375.129	5.124	20	0		GKADMN