smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CC1SC(=Nc2ccccc2)N(Cc2ccc(C3CC3)cc2)C1=O	ZINC000588581713	834972995	/nfs/dbraw/zinc/97/29/95/834972995.db2.gz	SZNIHDQMEYYVQD-IBGZPJMESA-N	0	2	393.512	3.832	10	30		GHEELN
CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C3CC3)cc2)C1=O	ZINC000588581713	834973001	/nfs/dbraw/zinc/97/30/01/834973001.db2.gz	SZNIHDQMEYYVQD-IBGZPJMESA-N	0	2	393.512	3.832	10	30		GHEELN
CCCCCCNC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000003145693	570330649	/nfs/dbraw/zinc/33/06/49/570330649.db2.gz	ARBNUJIVBYIRRM-LLVKDONJSA-N	0	2	375.231	3.878	10	30		GHEELN
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1	ZINC000186445117	865724041	/nfs/dbraw/zinc/72/40/41/865724041.db2.gz	XUCRUPPLOPKDMW-UHFFFAOYSA-N	0	2	382.879	3.592	10	30		GHEELN
CCCCCCNC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000003145692	570330631	/nfs/dbraw/zinc/33/06/31/570330631.db2.gz	ARBNUJIVBYIRRM-NSHDSACASA-N	0	2	375.231	3.878	10	30		GHEELN
C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000033395135	519015764	/nfs/dbraw/zinc/01/57/64/519015764.db2.gz	AXTCPTPIRYXMQS-WJDWOHSUSA-N	0	2	396.374	3.906	10	30		GHEELN
N#CCn1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000001409490	206379510	/nfs/dbraw/zinc/37/95/10/206379510.db2.gz	BKPJDYYSPWBLRU-YVLHZVERSA-N	0	2	388.358	3.811	10	30		GHEELN
COc1ccccc1NC(=O)CC1S/C(=N/c2ccc(C)c(C)c2)N(C)C1=O	ZINC000059254525	524601553	/nfs/dbraw/zinc/60/15/53/524601553.db2.gz	SFUURQLTRUCUBL-VEGAHXMMSA-N	0	2	397.500	3.902	10	30		GHEELN
Cc1[nH]n(-c2c(F)c(F)c(F)c(F)c2F)c(=O)c1C=NCc1ccc(F)cc1	ZINC000103724696	525464335	/nfs/dbraw/zinc/46/43/35/525464335.db2.gz	HGUAASCHSAKEFW-ONAMSPKSSA-N	0	2	399.294	3.928	10	30		GHEELN
N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc3ncccc32)c1	ZINC000102748895	873527389	/nfs/dbraw/zinc/52/73/89/873527389.db2.gz	ZAHSIDPTRIMFNJ-UHFFFAOYSA-N	0	2	375.356	3.509	10	30		GHEELN
CNC(=O)CC1SC(=Nc2ccccc2)N(Cc2ccc(C3CC3)cc2)C1=O	ZINC000588581714	834973522	/nfs/dbraw/zinc/97/35/22/834973522.db2.gz	SZNIHDQMEYYVQD-LJQANCHMSA-N	0	2	393.512	3.832	10	30		GHEELN
CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C3CC3)cc2)C1=O	ZINC000588581714	834973531	/nfs/dbraw/zinc/97/35/31/834973531.db2.gz	SZNIHDQMEYYVQD-LJQANCHMSA-N	0	2	393.512	3.832	10	30		GHEELN
COc1ccccc1NC(=O)CC1S/C(=N/c2ccc(C)c(C)c2)N(C)C1=O	ZINC000059254526	524602054	/nfs/dbraw/zinc/60/20/54/524602054.db2.gz	SFUURQLTRUCUBL-KHOFPDMRSA-N	0	2	397.500	3.902	10	30		GHEELN
C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000033395292	518321628	/nfs/dbraw/zinc/32/16/28/518321628.db2.gz	KKBAKRJMBPLOJS-ATVHPVEESA-N	0	2	390.395	3.522	10	30		GHEELN
COc1ccc(C=[NH+]Nc2nnc(SCc3ccc(F)cc3)[n-]2)cc1OC	ZINC000006246945	570473965	/nfs/dbraw/zinc/47/39/65/570473965.db2.gz	WOQIIIKKUPKENL-KEBDBYFISA-N	0	2	387.440	3.699	10	30		GHEELN
CCC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1	ZINC000005163380	520181691	/nfs/dbraw/zinc/18/16/91/520181691.db2.gz	JGDOUQTXBPBNMW-LDADJPATSA-N	0	2	392.437	3.602	10	30		GHEELN