smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)o1	ZINC000735939173	944719524	/nfs/dbraw/zinc/71/95/24/944719524.db2.gz	KNECJDFXIQWYJT-UHFFFAOYSA-N	-1	1	377.321	-1.158	20	50		GAGDMM
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000819940275	945315367	/nfs/dbraw/zinc/31/53/67/945315367.db2.gz	VMILUSQOYSCOPZ-UHFFFAOYSA-N	-1	1	395.384	-1.687	20	50		GAGDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NNC(=O)C1CC1	ZINC000820789025	945558610	/nfs/dbraw/zinc/55/86/10/945558610.db2.gz	UBIGZQPXBHFHEN-JTQLQIEISA-N	-1	1	386.420	-1.275	20	50		GAGDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NNC(=O)C1CC1	ZINC000820789025	945558600	/nfs/dbraw/zinc/55/86/00/945558600.db2.gz	UBIGZQPXBHFHEN-JTQLQIEISA-N	-1	1	386.420	-1.275	20	50		GAGDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NNC(=O)C1CC1	ZINC000820789026	945557965	/nfs/dbraw/zinc/55/79/65/945557965.db2.gz	UBIGZQPXBHFHEN-SNVBAGLBSA-N	-1	1	386.420	-1.275	20	50		GAGDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NNC(=O)C1CC1	ZINC000820789026	945557950	/nfs/dbraw/zinc/55/79/50/945557950.db2.gz	UBIGZQPXBHFHEN-SNVBAGLBSA-N	-1	1	386.420	-1.275	20	50		GAGDMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NNC(=O)c2cccc(C)c2)c1=O	ZINC000821565443	945717560	/nfs/dbraw/zinc/71/75/60/945717560.db2.gz	SWPMMGYDCQLDAH-UHFFFAOYSA-N	-1	1	398.383	-1.020	20	50		GAGDMM
Cn1c2ncn(CC(=O)NN=Cc3ccc(-c4nn[n-]n4)o3)c2c(=O)n(C)c1=O	ZINC000822591073	946132921	/nfs/dbraw/zinc/13/29/21/946132921.db2.gz	QASRFKFKUIWSSF-UHFFFAOYSA-N	-1	1	398.343	-1.643	20	50		GAGDMM
Cn1c2ncn(CC(=O)NN=Cc3ccc(-c4nnn[n-]4)o3)c2c(=O)n(C)c1=O	ZINC000822591073	946132914	/nfs/dbraw/zinc/13/29/14/946132914.db2.gz	QASRFKFKUIWSSF-UHFFFAOYSA-N	-1	1	398.343	-1.643	20	50		GAGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1	ZINC000823131490	946326978	/nfs/dbraw/zinc/32/69/78/946326978.db2.gz	ICYSQGAIDHFQES-UHFFFAOYSA-N	-1	1	381.320	-2.105	20	50		GAGDMM
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000824114516	608207844	/nfs/dbraw/zinc/20/78/44/608207844.db2.gz	VRHVICATACGDQG-UHFFFAOYSA-N	-1	1	394.396	-1.090	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@H](C)O1	ZINC001594509727	985783265	/nfs/dbraw/zinc/78/32/65/985783265.db2.gz	YQFAGEMMALTNTR-FRRDWIJNSA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@H](C)O1	ZINC001594509728	985782250	/nfs/dbraw/zinc/78/22/50/985782250.db2.gz	YQFAGEMMALTNTR-JHJVBQTASA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@H](C)O1	ZINC001594509729	985782630	/nfs/dbraw/zinc/78/26/30/985782630.db2.gz	YQFAGEMMALTNTR-UPJWGTAASA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@H](C)O1	ZINC001594509730	985782949	/nfs/dbraw/zinc/78/29/49/985782949.db2.gz	YQFAGEMMALTNTR-XQQFMLRXSA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)O1	ZINC001603460842	973293923	/nfs/dbraw/zinc/29/39/23/973293923.db2.gz	KKXFIIURSKZIEI-FRRDWIJNSA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H](C)O1	ZINC001603460843	973294392	/nfs/dbraw/zinc/29/43/92/973294392.db2.gz	KKXFIIURSKZIEI-JHJVBQTASA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H](C)O1	ZINC001603460844	973294368	/nfs/dbraw/zinc/29/43/68/973294368.db2.gz	KKXFIIURSKZIEI-UPJWGTAASA-N	-1	1	384.433	-1.044	20	50		GAGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)O1	ZINC001603460845	973294467	/nfs/dbraw/zinc/29/44/67/973294467.db2.gz	KKXFIIURSKZIEI-XQQFMLRXSA-N	-1	1	384.433	-1.044	20	50		GAGDMM