smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1	ZINC000022940325	212338160	/nfs/dbraw/zinc/33/81/60/212338160.db2.gz	ZMNUXXPBCFVUNL-HXUWFJFHSA-N	1	2	328.456	2.047	1	30		EEEFLO
C=C(C)C[NH+]1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCC2)CC1	ZINC000022940334	212338470	/nfs/dbraw/zinc/33/84/70/212338470.db2.gz	BRCPZJDCSAYHDA-NRFANRHFSA-N	1	2	342.483	2.437	1	30		EEEFLO
C#CC(=O)Nc1ccc2c(c1)C(=Cc1[nH]c(CC)[nH+]c1C)C(=O)N2C	ZINC000072139710	216026065	/nfs/dbraw/zinc/02/60/65/216026065.db2.gz	UBEWSNYQULDEAG-UVTDQMKNSA-N	1	2	334.379	2.369	1	30		EEEFLO
C=CC[NH+]1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCC2)CC1	ZINC000022940322	212337879	/nfs/dbraw/zinc/33/78/79/212337879.db2.gz	ZMNUXXPBCFVUNL-FQEVSTJZSA-N	1	2	328.456	2.047	1	30		EEEFLO
CO/N=C(/C[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1	ZINC000036375049	132392243	/nfs/dbraw/zinc/39/22/43/132392243.db2.gz	FHPKNBFLJRFJBV-FXBPSFAMSA-N	1	2	328.391	2.393	1	30		EEEFLO
C#CCNC(=O)C1CCN(c2cc(C)[nH+]c(-c3ccccc3)n2)CC1	ZINC000005000446	210355103	/nfs/dbraw/zinc/35/51/03/210355103.db2.gz	WEVUFLJMHRESRW-UHFFFAOYSA-N	1	2	334.423	2.418	3	30		EEEFLO
C=C(C)C[NH+]1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1	ZINC000022940337	212337164	/nfs/dbraw/zinc/33/71/64/212337164.db2.gz	BRCPZJDCSAYHDA-OAQYLSRUSA-N	1	2	342.483	2.437	1	30		EEEFLO
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCC#N)C2	ZINC000039293252	213233835	/nfs/dbraw/zinc/23/38/35/213233835.db2.gz	PISDITDWFFETGF-QOKNQOGYSA-N	1	2	326.396	2.134	1	30		EEEFLO
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCC#N)C2	ZINC000039293252	213233838	/nfs/dbraw/zinc/23/38/38/213233838.db2.gz	PISDITDWFFETGF-QOKNQOGYSA-N	1	2	326.396	2.134	1	30		EEEFLO
CC(=O)NCc1cccc(-c2csc(NC(=[NH2+])NCCC#N)n2)c1	ZINC000026989891	212543523	/nfs/dbraw/zinc/54/35/23/212543523.db2.gz	PZDNEHQFKBCQRT-UHFFFAOYSA-N	1	2	342.428	2.296	1	30		EEEFLO
CN(C)/C=[NH+]\c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1	ZINC000018062156	276749215	/nfs/dbraw/zinc/74/92/15/276749215.db2.gz	HPIBBTRLLYUCAF-WNFQYIGGSA-N	1	2	335.293	2.451	1	30		EEEFLO
CO/N=C(\C[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1	ZINC000036216671	132392171	/nfs/dbraw/zinc/39/21/71/132392171.db2.gz	FHPKNBFLJRFJBV-HEHNFIMWSA-N	1	2	328.391	2.393	1	30		EEEFLO
COc1ccc(/C=C2\C[NH2+]C/C(=C\c3ccc(OC)nc3)C2=O)cn1	ZINC000098083937	219081028	/nfs/dbraw/zinc/08/10/28/219081028.db2.gz	QPDMSISWIKFFSI-BGPOSVGRSA-N	1	2	337.379	2.133	1	30		EEEFLO
CC1=C(NCCC[NH+]2CCN(C)CC2)C(=O)c2ccccc2C1=O	ZINC000100872311	219110148	/nfs/dbraw/zinc/11/01/48/219110148.db2.gz	FALQLITXWZAKLX-JZJYNLBNSA-N	1	2	327.428	2.250	1	30		EEEFLO