smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cl)c(C#N)n4)CC3)CC2)cc1	ZINC001164763844	721042127	/nfs/dbraw/zinc/04/21/27/721042127.db2.gz	MBUSUKGPSSNOMC-UHFFFAOYSA-N	1	0	394.950	4.798	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C#N)cc(Cl)n4)CC3)CC2)cc1	ZINC001164763032	721041626	/nfs/dbraw/zinc/04/16/26/721041626.db2.gz	JPZCDEFOKGUATF-UHFFFAOYSA-N	1	0	394.950	4.798	20	30		GJEDRO
C[NH+](C)[C@@H]1CCCN(c2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)C1	ZINC001165035922	721898945	/nfs/dbraw/zinc/89/89/45/721898945.db2.gz	FFKPSCTYCMKSOQ-JOCHJYFZSA-N	1	0	382.511	4.818	20	30		GJEDRO
C[NH+](C)[C@H]1CCCN(c2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)C1	ZINC001165035929	721899005	/nfs/dbraw/zinc/89/90/05/721899005.db2.gz	FFKPSCTYCMKSOQ-QFIPXVFZSA-N	1	0	382.511	4.818	20	30		GJEDRO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165051133	721978823	/nfs/dbraw/zinc/97/88/23/721978823.db2.gz	YRNTUQUYXYMVDM-MRXNPFEDSA-N	1	0	386.902	4.744	20	30		GJEDRO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165051132	721979077	/nfs/dbraw/zinc/97/90/77/721979077.db2.gz	YRNTUQUYXYMVDM-INIZCTEOSA-N	1	0	386.902	4.744	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc5c(C#N)c[nH]c5n4)CC3)CC2)cc1	ZINC001164760630	721044814	/nfs/dbraw/zinc/04/48/14/721044814.db2.gz	YTRPKWJBWJDNDA-UHFFFAOYSA-N	1	0	399.542	4.626	20	30		GJEDRO
Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c(C)c1Cl	ZINC001164994755	722192429	/nfs/dbraw/zinc/19/24/29/722192429.db2.gz	PSPQUFOENSAVJL-QFIPXVFZSA-N	1	0	398.913	4.608	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C#N)cc4Cl)CC3)CC2)cc1	ZINC001164768570	721041982	/nfs/dbraw/zinc/04/19/82/721041982.db2.gz	UXPRHXHBHPJUMT-UHFFFAOYSA-N	1	0	394.950	4.798	20	30		GJEDRO
C[NH+](C)CC1CCN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1	ZINC001165041627	721945905	/nfs/dbraw/zinc/94/59/05/721945905.db2.gz	GLIZTQKUEDJPOG-UHFFFAOYSA-N	1	0	376.529	4.613	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc5[nH]c(C#N)cc5n4)CC3)CC2)cc1	ZINC001164760554	721045923	/nfs/dbraw/zinc/04/59/23/721045923.db2.gz	WBRSDJAFRJIWHR-UHFFFAOYSA-N	1	0	399.542	4.626	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4nc(C)ccc4CC#N)CC3)CC2)cc1	ZINC001164759192	721046254	/nfs/dbraw/zinc/04/62/54/721046254.db2.gz	KJLADMVABGUFJE-UHFFFAOYSA-N	1	0	388.559	4.647	20	30		GJEDRO
CC[NH+](CC)C1CCN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1	ZINC001165054632	722008139	/nfs/dbraw/zinc/00/81/39/722008139.db2.gz	UUPAKRHYTMVGLA-UHFFFAOYSA-N	1	0	377.319	4.724	20	30		GJEDRO
Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c(C)c1Cl	ZINC001164994753	722192557	/nfs/dbraw/zinc/19/25/57/722192557.db2.gz	PSPQUFOENSAVJL-JOCHJYFZSA-N	1	0	398.913	4.608	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)cc(C#N)n4)CC3)CC2)cc1	ZINC001164759200	721044138	/nfs/dbraw/zinc/04/41/38/721044138.db2.gz	KPYPUHHSGSRLBL-UHFFFAOYSA-N	1	0	394.950	4.798	20	30		GJEDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(CC#N)c(C)n4)CC3)CC2)cc1	ZINC001164759099	721045975	/nfs/dbraw/zinc/04/59/75/721045975.db2.gz	GCIOUICHDMOPKV-UHFFFAOYSA-N	1	0	388.559	4.647	20	30		GJEDRO
CN(CC1CC[NH+](C)CC1)c1ncc(C#N)c2sc(-c3ccccc3)cc21	ZINC001165041164	721934434	/nfs/dbraw/zinc/93/44/34/721934434.db2.gz	IDRBTDXFFBLERX-UHFFFAOYSA-N	1	0	376.529	4.613	20	30		GJEDRO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165045992	721965866	/nfs/dbraw/zinc/96/58/66/721965866.db2.gz	GCCZIQFIYJMSTQ-OAQYLSRUSA-N	1	0	378.495	4.604	20	30		GJEDRO
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCCCC1	ZINC000072012246	222204109	/nfs/dbraw/zinc/20/41/09/222204109.db2.gz	YWQZVIGYLYHMMO-SFHVURJKSA-N	1	0	393.556	4.561	20	30		GJEDRO
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCCCC1	ZINC000072012247	222204678	/nfs/dbraw/zinc/20/46/78/222204678.db2.gz	YWQZVIGYLYHMMO-GOSISDBHSA-N	1	0	393.556	4.561	20	30		GJEDRO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165045991	721965994	/nfs/dbraw/zinc/96/59/94/721965994.db2.gz	GCCZIQFIYJMSTQ-NRFANRHFSA-N	1	0	378.495	4.604	20	30		GJEDRO