smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1	ZINC001164737435	720824093	/nfs/dbraw/zinc/82/40/93/720824093.db2.gz	BEVNBWSCDHTMIZ-MQSCRBSSSA-N	2	2	413.529	3.077	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1	ZINC001164737435	720824096	/nfs/dbraw/zinc/82/40/96/720824096.db2.gz	BEVNBWSCDHTMIZ-MQSCRBSSSA-N	2	2	413.529	3.077	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)C1	ZINC001164782955	721362771	/nfs/dbraw/zinc/36/27/71/721362771.db2.gz	OBHFAFZYQXBVCT-HSZRJFAPSA-N	2	2	420.517	3.158	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)C1	ZINC001164782955	721362773	/nfs/dbraw/zinc/36/27/73/721362773.db2.gz	OBHFAFZYQXBVCT-HSZRJFAPSA-N	2	2	420.517	3.158	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)C1	ZINC001164782956	721362953	/nfs/dbraw/zinc/36/29/53/721362953.db2.gz	OBHFAFZYQXBVCT-QHCPKHFHSA-N	2	2	420.517	3.158	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)C1	ZINC001164782956	721362956	/nfs/dbraw/zinc/36/29/56/721362956.db2.gz	OBHFAFZYQXBVCT-QHCPKHFHSA-N	2	2	420.517	3.158	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1	ZINC001164737436	720824185	/nfs/dbraw/zinc/82/41/85/720824185.db2.gz	BEVNBWSCDHTMIZ-QNWVGRARSA-N	2	2	413.529	3.077	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1	ZINC001164737436	720824187	/nfs/dbraw/zinc/82/41/87/720824187.db2.gz	BEVNBWSCDHTMIZ-QNWVGRARSA-N	2	2	413.529	3.077	20	30		HGEDLP
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3ccc(C#N)cc32)CC1	ZINC001164825073	720312101	/nfs/dbraw/zinc/31/21/01/720312101.db2.gz	SICFCZPLUSSANK-FGZHOGPDSA-N	2	2	403.530	3.018	20	30		HGEDLP
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3ccc(C#N)cc32)CC1	ZINC001164825075	720311755	/nfs/dbraw/zinc/31/17/55/720311755.db2.gz	SICFCZPLUSSANK-YADHBBJMSA-N	2	2	403.530	3.018	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(CC#N)c(C)[nH+]3)C2)C1	ZINC001164782981	721369044	/nfs/dbraw/zinc/36/90/44/721369044.db2.gz	OOVLZZNRCQPBGV-HSZRJFAPSA-N	2	2	409.534	3.180	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(CC#N)c(C)[nH+]3)C2)C1	ZINC001164782981	721369047	/nfs/dbraw/zinc/36/90/47/721369047.db2.gz	OOVLZZNRCQPBGV-HSZRJFAPSA-N	2	2	409.534	3.180	20	30		HGEDLP
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3ccc(C#N)cc32)CC1	ZINC001164825074	720312148	/nfs/dbraw/zinc/31/21/48/720312148.db2.gz	SICFCZPLUSSANK-VXKWHMMOSA-N	2	2	403.530	3.018	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1	ZINC001164737437	720823881	/nfs/dbraw/zinc/82/38/81/720823881.db2.gz	BEVNBWSCDHTMIZ-QZNHQXDQSA-N	2	2	413.529	3.077	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1	ZINC001164737437	720823883	/nfs/dbraw/zinc/82/38/83/720823883.db2.gz	BEVNBWSCDHTMIZ-QZNHQXDQSA-N	2	2	413.529	3.077	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)ccc3CC#N)C2)C1	ZINC001164782945	721368735	/nfs/dbraw/zinc/36/87/35/721368735.db2.gz	NZEBCMWKPUFXQB-HSZRJFAPSA-N	2	2	409.534	3.180	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)ccc3CC#N)C2)C1	ZINC001164782945	721368737	/nfs/dbraw/zinc/36/87/37/721368737.db2.gz	NZEBCMWKPUFXQB-HSZRJFAPSA-N	2	2	409.534	3.180	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)ccc3CC#N)C2)C1	ZINC001164782946	721368510	/nfs/dbraw/zinc/36/85/10/721368510.db2.gz	NZEBCMWKPUFXQB-QHCPKHFHSA-N	2	2	409.534	3.180	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)ccc3CC#N)C2)C1	ZINC001164782946	721368512	/nfs/dbraw/zinc/36/85/12/721368512.db2.gz	NZEBCMWKPUFXQB-QHCPKHFHSA-N	2	2	409.534	3.180	20	30		HGEDLP
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3ccc(C#N)cc32)CC1	ZINC001164825072	720311802	/nfs/dbraw/zinc/31/18/02/720311802.db2.gz	SICFCZPLUSSANK-FCHUYYIVSA-N	2	2	403.530	3.018	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1	ZINC001164737434	720823739	/nfs/dbraw/zinc/82/37/39/720823739.db2.gz	BEVNBWSCDHTMIZ-FUPPJEDESA-N	2	2	413.529	3.077	20	30		HGEDLP
N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1	ZINC001164737434	720823740	/nfs/dbraw/zinc/82/37/40/720823740.db2.gz	BEVNBWSCDHTMIZ-FUPPJEDESA-N	2	2	413.529	3.077	20	30		HGEDLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(CC#N)c(C)[nH+]3)C2)C1	ZINC001164782982	721368828	/nfs/dbraw/zinc/36/88/28/721368828.db2.gz	OOVLZZNRCQPBGV-QHCPKHFHSA-N	2	2	409.534	3.180	20	30		HGEDLP
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(CC#N)c(C)[nH+]3)C2)C1	ZINC001164782982	721368831	/nfs/dbraw/zinc/36/88/31/721368831.db2.gz	OOVLZZNRCQPBGV-QHCPKHFHSA-N	2	2	409.534	3.180	20	30		HGEDLP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164789919	721464692	/nfs/dbraw/zinc/46/46/92/721464692.db2.gz	YMYKNJQRYOCGRI-HXUWFJFHSA-N	2	2	423.561	3.168	20	30		HGEDLP
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164789919	721464694	/nfs/dbraw/zinc/46/46/94/721464694.db2.gz	YMYKNJQRYOCGRI-HXUWFJFHSA-N	2	2	423.561	3.168	20	30		HGEDLP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164789918	721464383	/nfs/dbraw/zinc/46/43/83/721464383.db2.gz	YMYKNJQRYOCGRI-FQEVSTJZSA-N	2	2	423.561	3.168	20	30		HGEDLP
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164789918	721464385	/nfs/dbraw/zinc/46/43/85/721464385.db2.gz	YMYKNJQRYOCGRI-FQEVSTJZSA-N	2	2	423.561	3.168	20	30		HGEDLP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164712251	720134302	/nfs/dbraw/zinc/13/43/02/720134302.db2.gz	LTFXIQVEGAQQDX-HXUWFJFHSA-N	2	2	416.529	3.337	20	30		HGEDLP
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164712251	720134309	/nfs/dbraw/zinc/13/43/09/720134309.db2.gz	LTFXIQVEGAQQDX-HXUWFJFHSA-N	2	2	416.529	3.337	20	30		HGEDLP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164712250	720135543	/nfs/dbraw/zinc/13/55/43/720135543.db2.gz	LTFXIQVEGAQQDX-FQEVSTJZSA-N	2	2	416.529	3.337	20	30		HGEDLP
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2	ZINC001164712250	720135555	/nfs/dbraw/zinc/13/55/55/720135555.db2.gz	LTFXIQVEGAQQDX-FQEVSTJZSA-N	2	2	416.529	3.337	20	30		HGEDLP