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+]1CCN(C(=O)CC2CC[NH+](C[C@](C)(O)CC)CC2)CC1	ZINC000161032558	535613607	/nfs/dbraw/zinc/61/36/07/535613607.db2.gz	MQBAXDGXMIICKH-GOSISDBHSA-N	2	1	325.497	1.414	10	70		EDIEMP
COC(C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)OC	ZINC000160954594	441940603	/nfs/dbraw/zinc/94/06/03/441940603.db2.gz	HMAPGESATXQMRW-GOSISDBHSA-N	2	1	336.476	1.983	10	70		EDIEMP
COC(C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)OC	ZINC000160954447	274012595	/nfs/dbraw/zinc/01/25/95/274012595.db2.gz	HMAPGESATXQMRW-SFHVURJKSA-N	2	1	336.476	1.983	10	70		EDIEMP
C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1	ZINC000160330055	441872471	/nfs/dbraw/zinc/87/24/71/441872471.db2.gz	VOBLVYKQEQAKSU-NXHRZFHOSA-N	2	1	330.476	1.995	10	70		EDIEMP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000159825340	441842074	/nfs/dbraw/zinc/84/20/74/441842074.db2.gz	GRIKZEQOLIQGBB-DLBZAZTESA-N	2	1	340.512	1.374	10	70		EDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000159825340	441842082	/nfs/dbraw/zinc/84/20/82/441842082.db2.gz	GRIKZEQOLIQGBB-DLBZAZTESA-N	2	1	340.512	1.374	10	70		EDIEMP
CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@](C)(O)CC)CC2)CC1	ZINC000161032432	441949052	/nfs/dbraw/zinc/94/90/52/441949052.db2.gz	MQBAXDGXMIICKH-SFHVURJKSA-N	2	1	325.497	1.414	10	70		EDIEMP
CC(C)[N@@H+]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1	ZINC000161131126	441961073	/nfs/dbraw/zinc/96/10/73/441961073.db2.gz	VNGGDBRTTPVQHB-IRXDYDNUSA-N	2	1	337.508	1.866	10	70		EDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000159854713	527978790	/nfs/dbraw/zinc/97/87/90/527978790.db2.gz	WMCPWIYRZQBFQV-DLBZAZTESA-N	2	1	339.528	1.042	10	70		EDIEMP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000159854713	527978801	/nfs/dbraw/zinc/97/88/01/527978801.db2.gz	WMCPWIYRZQBFQV-DLBZAZTESA-N	2	1	339.528	1.042	10	70		EDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000159854713	527978805	/nfs/dbraw/zinc/97/88/05/527978805.db2.gz	WMCPWIYRZQBFQV-DLBZAZTESA-N	2	1	339.528	1.042	10	70		EDIEMP
CCC[C@H](C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)[NH+](C)C	ZINC000159583784	318419618	/nfs/dbraw/zinc/41/96/18/318419618.db2.gz	ZUWTZEPRTOUNQN-SJORKVTESA-N	2	1	327.513	1.970	10	70		EDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000159854794	527979023	/nfs/dbraw/zinc/97/90/23/527979023.db2.gz	WMCPWIYRZQBFQV-IAGOWNOFSA-N	2	1	339.528	1.042	10	70		EDIEMP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1	ZINC000159854794	527979041	/nfs/dbraw/zinc/97/90/41/527979041.db2.gz	WMCPWIYRZQBFQV-IAGOWNOFSA-N	2	1	339.528	1.042	10	70		EDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1	ZINC000159854794	527979043	/nfs/dbraw/zinc/97/90/43/527979043.db2.gz	WMCPWIYRZQBFQV-IAGOWNOFSA-N	2	1	339.528	1.042	10	70		EDIEMP
COCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1	ZINC000159730844	441833626	/nfs/dbraw/zinc/83/36/26/441833626.db2.gz	WOYDHYMLFRSMBB-QGZVFWFLSA-N	2	1	340.512	1.517	10	70		EDIEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000161131011	441960711	/nfs/dbraw/zinc/96/07/11/441960711.db2.gz	VNGGDBRTTPVQHB-SJORKVTESA-N	2	1	337.508	1.866	10	70		EDIEMP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1	ZINC000161147937	206331504	/nfs/dbraw/zinc/33/15/04/206331504.db2.gz	RKXRQIKGGMUNBA-NEWSRXKRSA-N	2	1	345.487	1.732	10	70		EDIEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1	ZINC000161147937	206331506	/nfs/dbraw/zinc/33/15/06/206331506.db2.gz	RKXRQIKGGMUNBA-NEWSRXKRSA-N	2	1	345.487	1.732	10	70		EDIEMP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1	ZINC000161147937	206331507	/nfs/dbraw/zinc/33/15/07/206331507.db2.gz	RKXRQIKGGMUNBA-NEWSRXKRSA-N	2	1	345.487	1.732	10	70		EDIEMP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1	ZINC000161147937	206331510	/nfs/dbraw/zinc/33/15/10/206331510.db2.gz	RKXRQIKGGMUNBA-NEWSRXKRSA-N	2	1	345.487	1.732	10	70		EDIEMP
CCC[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+](C)C	ZINC000161227629	441974556	/nfs/dbraw/zinc/97/45/56/441974556.db2.gz	BLAICYAQJAITAG-MRXNPFEDSA-N	2	1	325.497	1.868	10	70		EDIEMP
CN(CC[N@@H+](C)CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1	ZINC000161195165	441970013	/nfs/dbraw/zinc/97/00/13/441970013.db2.gz	JZYREIKDQCLEOI-UHFFFAOYSA-N	2	1	336.499	1.827	10	70		EDIEMP