smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1)OC	ZINC000160954594	441940607	/nfs/dbraw/zinc/94/06/07/441940607.db2.gz	HMAPGESATXQMRW-GOSISDBHSA-N	1	3	336.476	1.983	10	70		EDIEHO
COC(C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1)OC	ZINC000160954594	441940611	/nfs/dbraw/zinc/94/06/11/441940611.db2.gz	HMAPGESATXQMRW-GOSISDBHSA-N	1	3	336.476	1.983	10	70		EDIEHO
COC(C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1)OC	ZINC000160954447	274012598	/nfs/dbraw/zinc/01/25/98/274012598.db2.gz	HMAPGESATXQMRW-SFHVURJKSA-N	1	3	336.476	1.983	10	70		EDIEHO
COC(C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1)OC	ZINC000160954447	274012600	/nfs/dbraw/zinc/01/26/00/274012600.db2.gz	HMAPGESATXQMRW-SFHVURJKSA-N	1	3	336.476	1.983	10	70		EDIEHO
C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1	ZINC000160330055	441872477	/nfs/dbraw/zinc/87/24/77/441872477.db2.gz	VOBLVYKQEQAKSU-NXHRZFHOSA-N	1	3	330.476	1.995	10	70		EDIEHO
CC(C)[N@H+]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1	ZINC000161131126	441961078	/nfs/dbraw/zinc/96/10/78/441961078.db2.gz	VNGGDBRTTPVQHB-IRXDYDNUSA-N	1	3	337.508	1.866	10	70		EDIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1	ZINC000161131126	441961084	/nfs/dbraw/zinc/96/10/84/441961084.db2.gz	VNGGDBRTTPVQHB-IRXDYDNUSA-N	1	3	337.508	1.866	10	70		EDIEHO
COCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000159730844	441833629	/nfs/dbraw/zinc/83/36/29/441833629.db2.gz	WOYDHYMLFRSMBB-QGZVFWFLSA-N	1	3	340.512	1.517	10	70		EDIEHO
COCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1	ZINC000159730844	441833633	/nfs/dbraw/zinc/83/36/33/441833633.db2.gz	WOYDHYMLFRSMBB-QGZVFWFLSA-N	1	3	340.512	1.517	10	70		EDIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1	ZINC000161131011	441960716	/nfs/dbraw/zinc/96/07/16/441960716.db2.gz	VNGGDBRTTPVQHB-SJORKVTESA-N	1	3	337.508	1.866	10	70		EDIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1	ZINC000161131011	441960726	/nfs/dbraw/zinc/96/07/26/441960726.db2.gz	VNGGDBRTTPVQHB-SJORKVTESA-N	1	3	337.508	1.866	10	70		EDIEHO
CN(CC[N@H+](C)CCCN1CCN(C)CC1)Cc1ccc(F)cc1	ZINC000161195165	441970025	/nfs/dbraw/zinc/97/00/25/441970025.db2.gz	JZYREIKDQCLEOI-UHFFFAOYSA-N	1	3	336.499	1.827	10	70		EDIEHO
CN(CC[N@@H+](C)CCCN1CCN(C)CC1)Cc1ccc(F)cc1	ZINC000161195165	441970029	/nfs/dbraw/zinc/97/00/29/441970029.db2.gz	JZYREIKDQCLEOI-UHFFFAOYSA-N	1	3	336.499	1.827	10	70		EDIEHO