smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1Cl	ZINC000550607054	568077781	/nfs/dbraw/zinc/07/77/81/568077781.db2.gz	ZXCFVHBVMOXNNM-UHFFFAOYSA-N	2	1	372.940	5.035	20	30		FKEDMP
C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000550834651	568107850	/nfs/dbraw/zinc/10/78/50/568107850.db2.gz	ATBZJVQQAOVNPE-AGILITTLSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000550834651	568107849	/nfs/dbraw/zinc/10/78/49/568107849.db2.gz	ATBZJVQQAOVNPE-AGILITTLSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000550834652	568107812	/nfs/dbraw/zinc/10/78/12/568107812.db2.gz	ATBZJVQQAOVNPE-FGCOXFRFSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000550834652	568107811	/nfs/dbraw/zinc/10/78/11/568107811.db2.gz	ATBZJVQQAOVNPE-FGCOXFRFSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000550834653	568107815	/nfs/dbraw/zinc/10/78/15/568107815.db2.gz	ATBZJVQQAOVNPE-HUVFLSCGSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000550834653	568107814	/nfs/dbraw/zinc/10/78/14/568107814.db2.gz	ATBZJVQQAOVNPE-HUVFLSCGSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000550834654	568107807	/nfs/dbraw/zinc/10/78/07/568107807.db2.gz	ATBZJVQQAOVNPE-QDSKXPNFSA-N	2	1	361.533	5.064	20	30		FKEDMP
C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000550834654	568107806	/nfs/dbraw/zinc/10/78/06/568107806.db2.gz	ATBZJVQQAOVNPE-QDSKXPNFSA-N	2	1	361.533	5.064	20	30		FKEDMP