smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000009829646	555528267	/nfs/dbraw/zinc/52/82/67/555528267.db2.gz	PKUFYWVYBNMFOH-QFIPXVFZSA-N	2	2	471.602	1.726	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000020289265	555760238	/nfs/dbraw/zinc/76/02/38/555760238.db2.gz	NFCWHGBCNUIEDI-AVRDEDQJSA-N	2	2	473.643	1.803	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000020289259	555760267	/nfs/dbraw/zinc/76/02/67/555760267.db2.gz	NFCWHGBCNUIEDI-GCJKJVERSA-N	2	2	473.643	1.803	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCCCn3cc[nH+]c3)c3cccnc3)CC2)cc1	ZINC000013878758	555637873	/nfs/dbraw/zinc/63/78/73/555637873.db2.gz	DMHPJFNYZQBAMY-XMMPIXPASA-N	2	2	491.596	1.473	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000020289262	555760321	/nfs/dbraw/zinc/76/03/21/555760321.db2.gz	NFCWHGBCNUIEDI-XMSQKQJNSA-N	2	2	473.643	1.803	50	10		JDCALP
CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000017287652	556251195	/nfs/dbraw/zinc/25/11/95/556251195.db2.gz	ROCORKRFIIZHHC-XMMPIXPASA-N	2	2	482.629	1.528	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000020289269	555760286	/nfs/dbraw/zinc/76/02/86/555760286.db2.gz	NFCWHGBCNUIEDI-PGRDOPGGSA-N	2	2	473.643	1.803	50	10		JDCALP
COc1ccc(N2CC[NH+](Cc3coc(=O)c(CN4CC[NH+](C5CCOCC5)CC4)c3O)CC2)cc1	ZINC000101373264	569794835	/nfs/dbraw/zinc/79/48/35/569794835.db2.gz	BWURCPYSCMGXHG-UHFFFAOYSA-N	2	2	498.624	1.973	50	10		JDCALP
C[NH+](C)CCCNc1cc(N2CC[NH+](CCO)CC2)c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000009410822	555177776	/nfs/dbraw/zinc/17/77/76/555177776.db2.gz	JEBHTHCKYPBCQQ-UHFFFAOYSA-N	2	2	451.571	1.522	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCCCn3cc[nH+]c3)c3ccco3)CC2)cc1	ZINC000009828994	555527329	/nfs/dbraw/zinc/52/73/29/555527329.db2.gz	FUSNUPFDNJRHMO-QFIPXVFZSA-N	2	2	480.569	1.671	50	10		JDCALP
CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000009829647	555528123	/nfs/dbraw/zinc/52/81/23/555528123.db2.gz	PKUFYWVYBNMFOH-JOCHJYFZSA-N	2	2	471.602	1.726	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCCCn3cc[nH+]c3)c3ccco3)CC2)cc1	ZINC000009828995	555527312	/nfs/dbraw/zinc/52/73/12/555527312.db2.gz	FUSNUPFDNJRHMO-JOCHJYFZSA-N	2	2	480.569	1.671	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCCCn3cc[nH+]c3)c3cccnc3)CC2)cc1	ZINC000013878757	555637943	/nfs/dbraw/zinc/63/79/43/555637943.db2.gz	DMHPJFNYZQBAMY-DEOSSOPVSA-N	2	2	491.596	1.473	50	10		JDCALP
C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CC[NH+](C)CC4)c3)cc2)CC1	ZINC000065362936	569675301	/nfs/dbraw/zinc/67/53/01/569675301.db2.gz	XWHUMZVOTCNITR-UHFFFAOYSA-N	2	2	471.627	1.305	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCCC[NH+]3CCOCC3)c3ccco3)CC2)cc1	ZINC000009828963	555526850	/nfs/dbraw/zinc/52/68/50/555526850.db2.gz	XMNZJOCIBAOBIY-HSZRJFAPSA-N	2	2	499.612	1.106	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCCC[NH+]3CCOCC3)c3ccco3)CC2)cc1	ZINC000009828962	555526917	/nfs/dbraw/zinc/52/69/17/555526917.db2.gz	XMNZJOCIBAOBIY-QHCPKHFHSA-N	2	2	499.612	1.106	50	10		JDCALP
CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000017287656	556251134	/nfs/dbraw/zinc/25/11/34/556251134.db2.gz	ROCORKRFIIZHHC-DEOSSOPVSA-N	2	2	482.629	1.528	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCCC[NH+](C)C)c3cccnc3)CC2)cc1	ZINC000056896125	563206180	/nfs/dbraw/zinc/20/61/80/563206180.db2.gz	UAOVNYGCSMQACT-HSZRJFAPSA-N	2	2	468.602	1.138	50	10		JDCALP
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCCC[NH+](C)C)c3cccnc3)CC2)cc1	ZINC000056896123	563206206	/nfs/dbraw/zinc/20/62/06/563206206.db2.gz	UAOVNYGCSMQACT-QHCPKHFHSA-N	2	2	468.602	1.138	50	10		JDCALP