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+]1CCC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1	ZINC000330108924	862580475	/nfs/dbraw/zinc/58/04/75/862580475.db2.gz	OJZRFYRVCCYCHD-SFHVURJKSA-N	2	2	387.572	3.610	10	30		GHEELP
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1	ZINC000330108924	862580484	/nfs/dbraw/zinc/58/04/84/862580484.db2.gz	OJZRFYRVCCYCHD-SFHVURJKSA-N	2	2	387.572	3.610	10	30		GHEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246907803	835135694	/nfs/dbraw/zinc/13/56/94/835135694.db2.gz	ADLMQOAGXQXRMJ-HUUCEWRRSA-N	2	2	397.548	3.531	10	30		GHEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246907803	835135697	/nfs/dbraw/zinc/13/56/97/835135697.db2.gz	ADLMQOAGXQXRMJ-HUUCEWRRSA-N	2	2	397.548	3.531	10	30		GHEELP
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2	ZINC000329794160	862326145	/nfs/dbraw/zinc/32/61/45/862326145.db2.gz	BRZPZEIVUYIXDT-DSKINZAPSA-N	2	2	381.524	3.794	10	30		GHEELP
CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2	ZINC000329794160	862326162	/nfs/dbraw/zinc/32/61/62/862326162.db2.gz	BRZPZEIVUYIXDT-DSKINZAPSA-N	2	2	381.524	3.794	10	30		GHEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000106213801	840779827	/nfs/dbraw/zinc/77/98/27/840779827.db2.gz	ADLMQOAGXQXRMJ-LSDHHAIUSA-N	2	2	397.548	3.531	10	30		GHEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000106213801	840779840	/nfs/dbraw/zinc/77/98/40/840779840.db2.gz	ADLMQOAGXQXRMJ-LSDHHAIUSA-N	2	2	397.548	3.531	10	30		GHEELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788089	891306653	/nfs/dbraw/zinc/30/66/53/891306653.db2.gz	AGUDSOZGTSTMMN-AUSIDOKSSA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788089	891306673	/nfs/dbraw/zinc/30/66/73/891306673.db2.gz	AGUDSOZGTSTMMN-AUSIDOKSSA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000116385487	886360112	/nfs/dbraw/zinc/36/01/12/886360112.db2.gz	AGUDSOZGTSTMMN-CVDCTZTESA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000116385487	886360120	/nfs/dbraw/zinc/36/01/20/886360120.db2.gz	AGUDSOZGTSTMMN-CVDCTZTESA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000116385484	886360372	/nfs/dbraw/zinc/36/03/72/886360372.db2.gz	AGUDSOZGTSTMMN-XXBNENTESA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000116385484	886360387	/nfs/dbraw/zinc/36/03/87/886360387.db2.gz	AGUDSOZGTSTMMN-XXBNENTESA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000187931069	835197389	/nfs/dbraw/zinc/19/73/89/835197389.db2.gz	QFFSANMAMHQZOS-CPJSRVTESA-N	2	2	399.542	3.803	10	30		GHEELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000187931069	835197391	/nfs/dbraw/zinc/19/73/91/835197391.db2.gz	QFFSANMAMHQZOS-CPJSRVTESA-N	2	2	399.542	3.803	10	30		GHEELP
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2	ZINC000329794161	862326753	/nfs/dbraw/zinc/32/67/53/862326753.db2.gz	BRZPZEIVUYIXDT-QFUCXCTJSA-N	2	2	381.524	3.794	10	30		GHEELP
CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2	ZINC000329794161	862326771	/nfs/dbraw/zinc/32/67/71/862326771.db2.gz	BRZPZEIVUYIXDT-QFUCXCTJSA-N	2	2	381.524	3.794	10	30		GHEELP
N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1	ZINC000328629525	206234952	/nfs/dbraw/zinc/23/49/52/206234952.db2.gz	OXESSNRBVXJGCK-ISKFKSNPSA-N	2	2	375.516	3.890	10	30		GHEELP
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1	ZINC000330108923	862580319	/nfs/dbraw/zinc/58/03/19/862580319.db2.gz	OJZRFYRVCCYCHD-GOSISDBHSA-N	2	2	387.572	3.610	10	30		GHEELP
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1	ZINC000330108923	862580335	/nfs/dbraw/zinc/58/03/35/862580335.db2.gz	OJZRFYRVCCYCHD-GOSISDBHSA-N	2	2	387.572	3.610	10	30		GHEELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000249856644	856528243	/nfs/dbraw/zinc/52/82/43/856528243.db2.gz	QFFSANMAMHQZOS-NBGIEHNGSA-N	2	2	399.542	3.803	10	30		GHEELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000249856644	856528246	/nfs/dbraw/zinc/52/82/46/856528246.db2.gz	QFFSANMAMHQZOS-NBGIEHNGSA-N	2	2	399.542	3.803	10	30		GHEELP
Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccn2Cc2ccccc2C#N)cn1	ZINC000187692116	844763934	/nfs/dbraw/zinc/76/39/34/844763934.db2.gz	RGYVDFQZNGXOKY-UHFFFAOYSA-N	2	2	382.471	3.587	10	30		GHEELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000187931047	835186837	/nfs/dbraw/zinc/18/68/37/835186837.db2.gz	QFFSANMAMHQZOS-NLFFAJNJSA-N	2	2	399.542	3.803	10	30		GHEELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000187931047	835186842	/nfs/dbraw/zinc/18/68/42/835186842.db2.gz	QFFSANMAMHQZOS-NLFFAJNJSA-N	2	2	399.542	3.803	10	30		GHEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000106213802	840779547	/nfs/dbraw/zinc/77/95/47/840779547.db2.gz	ADLMQOAGXQXRMJ-GJZGRUSLSA-N	2	2	397.548	3.531	10	30		GHEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000106213802	840779563	/nfs/dbraw/zinc/77/95/63/840779563.db2.gz	ADLMQOAGXQXRMJ-GJZGRUSLSA-N	2	2	397.548	3.531	10	30		GHEELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788101	891307584	/nfs/dbraw/zinc/30/75/84/891307584.db2.gz	AGUDSOZGTSTMMN-WMZHIEFXSA-N	2	2	378.520	3.764	10	30		GHEELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1	ZINC000246788101	891307595	/nfs/dbraw/zinc/30/75/95/891307595.db2.gz	AGUDSOZGTSTMMN-WMZHIEFXSA-N	2	2	378.520	3.764	10	30		GHEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246907792	835135638	/nfs/dbraw/zinc/13/56/38/835135638.db2.gz	ADLMQOAGXQXRMJ-CABCVRRESA-N	2	2	397.548	3.531	10	30		GHEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246907792	835135641	/nfs/dbraw/zinc/13/56/41/835135641.db2.gz	ADLMQOAGXQXRMJ-CABCVRRESA-N	2	2	397.548	3.531	10	30		GHEELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000249856639	856519687	/nfs/dbraw/zinc/51/96/87/856519687.db2.gz	QFFSANMAMHQZOS-CJFMBICVSA-N	2	2	399.542	3.803	10	30		GHEELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N	ZINC000249856639	856519704	/nfs/dbraw/zinc/51/97/04/856519704.db2.gz	QFFSANMAMHQZOS-CJFMBICVSA-N	2	2	399.542	3.803	10	30		GHEELP