smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCCC[N@@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000179849476	883032949	/nfs/dbraw/zinc/03/29/49/883032949.db2.gz	CMKCGSHXDCQJOF-AUSIDOKSSA-N	2	0	389.523	3.588	10	30		GHEERP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC[NH+]1C	ZINC000329032453	845646117	/nfs/dbraw/zinc/64/61/17/845646117.db2.gz	XORPSWNJGXRLIR-IOMROCGXSA-N	2	0	387.572	3.557	10	30		GHEERP
NC(=[NH2+])C1=CC[C@@H](/C=C2\CCCC/C(=C\[C@@H]3C=CC(C(N)=[NH2+])=CC3)C2=O)C=C1	ZINC000100468008	526816531	/nfs/dbraw/zinc/81/65/31/526816531.db2.gz	IIXDFIIPTHPZIH-FVRQNWKXSA-N	2	0	376.504	3.859	10	30		GHEERP
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788089	891306636	/nfs/dbraw/zinc/30/66/36/891306636.db2.gz	AGUDSOZGTSTMMN-AUSIDOKSSA-N	2	0	378.520	3.764	10	30		GHEERP
C[C@H]1CCCC[N@@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000160084911	863303833	/nfs/dbraw/zinc/30/38/33/863303833.db2.gz	UVWBGSQIHXIOCC-PGRDOPGGSA-N	2	0	382.503	3.856	10	30		GHEERP
CC[NH+]1CCC(NC(=O)C2CCC(C(=O)NC3CC[NH+](CC)CC3)CC2)CC1	ZINC000329149539	834461897	/nfs/dbraw/zinc/46/18/97/834461897.db2.gz	QTGORFGFXBMVGJ-UHFFFAOYSA-N	2	0	392.588	3.674	10	30		GHEERP
C[C@@H]1CCCC[N@@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000160084786	863300802	/nfs/dbraw/zinc/30/08/02/863300802.db2.gz	UVWBGSQIHXIOCC-XMSQKQJNSA-N	2	0	382.503	3.856	10	30		GHEERP
C[C@H]1CCCC[N@@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000245514909	888832269	/nfs/dbraw/zinc/83/22/69/888832269.db2.gz	CMKCGSHXDCQJOF-CVDCTZTESA-N	2	0	389.523	3.588	10	30		GHEERP
CCCCCCCCCCCCCCCC(=O)NCC[NH2+]CCNCC[NH3+]	ZINC000103829900	519988785	/nfs/dbraw/zinc/98/87/85/519988785.db2.gz	VHZCVFYXWVNUHI-UHFFFAOYSA-N	2	0	384.653	3.722	10	30		GHEERP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC[NH+]1C	ZINC000329032452	845646411	/nfs/dbraw/zinc/64/64/11/845646411.db2.gz	XORPSWNJGXRLIR-DZFGPLHGSA-N	2	0	387.572	3.557	10	30		GHEERP
C[C@H]1CCCC[N@@H+]1Cc1cc[n+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000179849490	883034003	/nfs/dbraw/zinc/03/40/03/883034003.db2.gz	CMKCGSHXDCQJOF-WMZHIEFXSA-N	2	0	389.523	3.588	10	30		GHEERP
C[C@@H]1CCCC[N@@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1	ZINC000245514910	888832132	/nfs/dbraw/zinc/83/21/32/888832132.db2.gz	CMKCGSHXDCQJOF-XXBNENTESA-N	2	0	389.523	3.588	10	30		GHEERP
C[C@@H]1CCCC[N@@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000245716144	889419692	/nfs/dbraw/zinc/41/96/92/889419692.db2.gz	UVWBGSQIHXIOCC-GCJKJVERSA-N	2	0	382.503	3.856	10	30		GHEERP
C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788101	891307568	/nfs/dbraw/zinc/30/75/68/891307568.db2.gz	AGUDSOZGTSTMMN-WMZHIEFXSA-N	2	0	378.520	3.764	10	30		GHEERP
C[C@H]1CCCC[N@@H+]1Cc1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1	ZINC000245716136	889419513	/nfs/dbraw/zinc/41/95/13/889419513.db2.gz	UVWBGSQIHXIOCC-AVRDEDQJSA-N	2	0	382.503	3.856	10	30		GHEERP