smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1n(CC[NH+]2CCOCC2)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1	ZINC000025693396	557222309	/nfs/dbraw/zinc/22/23/09/557222309.db2.gz	YHQAMDJWKKUYNE-UHFFFAOYSA-O	2	2	444.353	2.489	50	30		IEEALP
CC(C)CC12CN3CC(C[NH+](C1)CC3)/C2=N\N=C1/C2CN3CC1(CC(C)C)C[N@@H+](C2)CC3	ZINC000022939707	557053713	/nfs/dbraw/zinc/05/37/13/557053713.db2.gz	VGMKHHQIRDHPRP-LMCGJEQXSA-N	2	2	440.680	2.370	50	30		IEEALP
CC(C)CC12CN3CC(C[NH+](C1)CC3)/C2=N\N=C1/C2CN3CC1(CC(C)C)C[N@H+](C2)CC3	ZINC000022939707	557053714	/nfs/dbraw/zinc/05/37/14/557053714.db2.gz	VGMKHHQIRDHPRP-LMCGJEQXSA-N	2	2	440.680	2.370	50	30		IEEALP
CC(C)CC12CN3CC(C[N@@H+](C1)CC3)C2=N/N=C1\C2CN3CC1(CC(C)C)C[NH+](C2)CC3	ZINC000252327552	568902740	/nfs/dbraw/zinc/90/27/40/568902740.db2.gz	VGMKHHQIRDHPRP-BCYWNMDCSA-N	2	2	440.680	2.370	50	30		IEEALP
CC(C)CC12CN3CC(C[NH+](C1)CC3)C2=N/N=C1\C2CN3CC1(CC(C)C)C[N@H+](C2)CC3	ZINC000252327552	568902743	/nfs/dbraw/zinc/90/27/43/568902743.db2.gz	VGMKHHQIRDHPRP-BCYWNMDCSA-N	2	2	440.680	2.370	50	30		IEEALP
CC(C)CC12CN3CC(C[NH+](C1)CC3)C2=N/N=C1\C2CN3CC1(CC(C)C)C[N@@H+](C2)CC3	ZINC000252327552	568902745	/nfs/dbraw/zinc/90/27/45/568902745.db2.gz	VGMKHHQIRDHPRP-BCYWNMDCSA-N	2	2	440.680	2.370	50	30		IEEALP
Cc1c(C#N)c2nc3ccccc3n2c(N2CC[NH+](C)CC2)c1CC[NH+]1CCN(C)CC1	ZINC000036646025	569128592	/nfs/dbraw/zinc/12/85/92/569128592.db2.gz	MTBJAWOAGMUOQW-UHFFFAOYSA-N	2	2	431.588	2.209	50	30		IEEALP
N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1	ZINC000022436413	526614128	/nfs/dbraw/zinc/61/41/28/526614128.db2.gz	OYAQWFQONXOCGT-UHFFFAOYSA-N	2	2	433.556	2.418	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1cccc(OC)c1)C2	ZINC000014745728	568826738	/nfs/dbraw/zinc/82/67/38/568826738.db2.gz	PZFNERXUYADDSS-FQEVSTJZSA-N	2	2	437.588	2.455	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@H+](C)Cc1cccc(OC)c1)C2	ZINC000014745728	568826739	/nfs/dbraw/zinc/82/67/39/568826739.db2.gz	PZFNERXUYADDSS-FQEVSTJZSA-N	2	2	437.588	2.455	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1F)C2	ZINC000095525056	519286897	/nfs/dbraw/zinc/28/68/97/519286897.db2.gz	UBJBSGVUZSWKAE-GOSISDBHSA-N	2	2	429.515	2.382	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1c(F)cccc1F)C2	ZINC000014539090	568826398	/nfs/dbraw/zinc/82/63/98/568826398.db2.gz	YCAKHDLDTFSYPH-INIZCTEOSA-N	2	2	429.515	2.382	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1cccc(OC)c1)C2	ZINC000014745727	568827043	/nfs/dbraw/zinc/82/70/43/568827043.db2.gz	PZFNERXUYADDSS-HXUWFJFHSA-N	2	2	437.588	2.455	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1cccc(OC)c1)C2	ZINC000014745727	568827045	/nfs/dbraw/zinc/82/70/45/568827045.db2.gz	PZFNERXUYADDSS-HXUWFJFHSA-N	2	2	437.588	2.455	50	30		IEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1c(F)cccc1F)C2	ZINC000014539089	568826427	/nfs/dbraw/zinc/82/64/27/568826427.db2.gz	YCAKHDLDTFSYPH-MRXNPFEDSA-N	2	2	429.515	2.382	50	30		IEEALP
CC[NH+]1CCN(c2nc(N3CCOCC3)c3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC000020503860	521701130	/nfs/dbraw/zinc/70/11/30/521701130.db2.gz	JPZQPADGEZFOJX-UHFFFAOYSA-N	2	2	446.599	2.490	50	30		IEEALP
CC[NH+]1CCN(c2nc(N3CCOCC3)c3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)CC1	ZINC000020503860	521701132	/nfs/dbraw/zinc/70/11/32/521701132.db2.gz	JPZQPADGEZFOJX-UHFFFAOYSA-N	2	2	446.599	2.490	50	30		IEEALP
N#Cc1c2c(c3nncn3c1NCCC[NH+]1CCOCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000020677872	526531581	/nfs/dbraw/zinc/53/15/81/526531581.db2.gz	ZHGNUGDWTCKISA-UHFFFAOYSA-N	2	2	431.544	2.293	50	30		IEEALP
N#Cc1c2c(c3nncn3c1NCCC[NH+]1CCOCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000020677872	526531583	/nfs/dbraw/zinc/53/15/83/526531583.db2.gz	ZHGNUGDWTCKISA-UHFFFAOYSA-N	2	2	431.544	2.293	50	30		IEEALP