smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CC[NH+](C)CC4)o3)C(=O)NC2=S)c1	ZINC000033326723	558766973	/nfs/dbraw/zinc/76/69/73/558766973.db2.gz	AFNRYVGYYSUTBV-QGOAFFKASA-N	1	2	424.526	3.320	10	10		HGCELO
CC(NCCc1c[nH]c[nH+]1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000101771964	559147986	/nfs/dbraw/zinc/14/79/86/559147986.db2.gz	OGMPHKUPJAMQKJ-GXDHUFHOSA-N	1	2	420.420	3.391	10	10		HGCELO
CC(NCCc1c[nH+]c[nH]1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000101771964	559147987	/nfs/dbraw/zinc/14/79/87/559147987.db2.gz	OGMPHKUPJAMQKJ-GXDHUFHOSA-N	1	2	420.420	3.391	10	10		HGCELO
COc1ccc2c(c1)[C@]1(Cc3ccccc3)CN(C3CCCCC3)C(=O)[C@@]1([NH3+])N2C	ZINC000248083400	568747277	/nfs/dbraw/zinc/74/72/77/568747277.db2.gz	QVTZRDJZYUZDOX-LOSJGSFVSA-N	1	2	405.542	3.455	10	10		HGCELO
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CC[NH+](C)CC4)o3)C(=O)NC2=S)cc1	ZINC000025180174	558634009	/nfs/dbraw/zinc/63/40/09/558634009.db2.gz	KVMFSQIVRLCLRR-GHRIWEEISA-N	1	2	410.499	3.011	10	10		HGCELO
COc1ccc2c(c1)[C@@]1(Cc3ccccc3)CN(C3CCCCC3)C(=O)[C@]1([NH3+])N2C	ZINC000048520854	569358349	/nfs/dbraw/zinc/35/83/49/569358349.db2.gz	QVTZRDJZYUZDOX-RPBOFIJWSA-N	1	2	405.542	3.455	10	10		HGCELO
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CC[NH+](C)CC4)o3)C(=O)NC2=S)c(C)c1	ZINC000033337314	558767179	/nfs/dbraw/zinc/76/71/79/558767179.db2.gz	NPFWOBHTDPPVHW-GHRIWEEISA-N	1	2	424.526	3.320	10	10		HGCELO
COc1ccc2c(c1)[C@@]1(Cc3ccccc3)CN(C3CCCCC3)C(=O)[C@@]1([NH3+])N2C	ZINC000248083397	568747097	/nfs/dbraw/zinc/74/70/97/568747097.db2.gz	QVTZRDJZYUZDOX-JWQCQUIFSA-N	1	2	405.542	3.455	10	10		HGCELO
COc1ccc2c(c1)[C@]1(Cc3ccccc3)CN(C3CCCCC3)C(=O)[C@]1([NH3+])N2C	ZINC000048520856	569358369	/nfs/dbraw/zinc/35/83/69/569358369.db2.gz	QVTZRDJZYUZDOX-DQEYMECFSA-N	1	2	405.542	3.455	10	10		HGCELO
COc1ccc(O)c(C[N@H+](C)Cc2nnc(SCCOc3ccccc3)n2C)c1	ZINC000055036208	558870179	/nfs/dbraw/zinc/87/01/79/558870179.db2.gz	MLZRBBCGUKSLHO-UHFFFAOYSA-N	1	2	414.531	3.332	10	10		HGCELO
COc1ccc(O)c(C[N@@H+](C)Cc2nnc(SCCOc3ccccc3)n2C)c1	ZINC000055036208	558870183	/nfs/dbraw/zinc/87/01/83/558870183.db2.gz	MLZRBBCGUKSLHO-UHFFFAOYSA-N	1	2	414.531	3.332	10	10		HGCELO
C[NH+]1CCN(c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)CC1	ZINC000025180154	558633915	/nfs/dbraw/zinc/63/39/15/558633915.db2.gz	YBRCFBIPFCDMKM-FOWTUZBSSA-N	1	2	414.849	3.192	10	10		HGCELO