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]1C[N@@H+](C)[C@@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631160	719249311	/nfs/dbraw/zinc/24/93/11/719249311.db2.gz	CDEGPPSESFXXQD-WDEREUQCSA-N	1	1	296.802	1.788	20	50		CDGDMO
C=CC[NH+]1CCN(c2ccc(NC(=O)CCl)cn2)CC1	ZINC001165035742	721872673	/nfs/dbraw/zinc/87/26/73/721872673.db2.gz	WMGYHBAFPUJOLN-UHFFFAOYSA-N	1	1	294.786	1.567	20	50		CDGDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634851	719232123	/nfs/dbraw/zinc/23/21/23/719232123.db2.gz	HSVNEPPWBCYQEM-QWRGUYRKSA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826381001	609475308	/nfs/dbraw/zinc/47/53/08/609475308.db2.gz	UGLVLJVPNWGEBU-UHFFFAOYSA-N	1	1	266.308	1.522	20	50		CDGDMO
N#CC1=CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380642	609480080	/nfs/dbraw/zinc/48/00/80/609480080.db2.gz	IMWIBQBLEAQPJQ-CQSZACIVSA-N	1	1	296.334	1.056	20	50		CDGDMO
N#CC1=CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380642	609480082	/nfs/dbraw/zinc/48/00/82/609480082.db2.gz	IMWIBQBLEAQPJQ-CQSZACIVSA-N	1	1	296.334	1.056	20	50		CDGDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634852	719232427	/nfs/dbraw/zinc/23/24/27/719232427.db2.gz	HSVNEPPWBCYQEM-WDEREUQCSA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000826380727	609480354	/nfs/dbraw/zinc/48/03/54/609480354.db2.gz	KRWGLFOHJORJJM-UHFFFAOYSA-N	1	1	266.308	1.522	20	50		CDGDMO
N#CC1=CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000826380727	609480355	/nfs/dbraw/zinc/48/03/55/609480355.db2.gz	KRWGLFOHJORJJM-UHFFFAOYSA-N	1	1	266.308	1.522	20	50		CDGDMO
C[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H](C)C[N@H+]1C	ZINC001164631155	719248425	/nfs/dbraw/zinc/24/84/25/719248425.db2.gz	CDEGPPSESFXXQD-MNOVXSKESA-N	1	1	296.802	1.788	20	50		CDGDMO
C=CC[NH+]1CCN(c2ncccc2NC(=O)CCl)CC1	ZINC001165032394	721870113	/nfs/dbraw/zinc/87/01/13/721870113.db2.gz	QDBLMYYECKZXIK-UHFFFAOYSA-N	1	1	294.786	1.567	20	50		CDGDMO
C[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H](C)C[N@H+]1C	ZINC001164634850	719232752	/nfs/dbraw/zinc/23/27/52/719232752.db2.gz	HSVNEPPWBCYQEM-MNOVXSKESA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC1	ZINC000826380558	609475027	/nfs/dbraw/zinc/47/50/27/609475027.db2.gz	FGSTVDQIUISBQT-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO
N#CC1=CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CC1	ZINC000826380558	609475029	/nfs/dbraw/zinc/47/50/29/609475029.db2.gz	FGSTVDQIUISBQT-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631153	719248870	/nfs/dbraw/zinc/24/88/70/719248870.db2.gz	CDEGPPSESFXXQD-GHMZBOCLSA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380641	609480651	/nfs/dbraw/zinc/48/06/51/609480651.db2.gz	IMWIBQBLEAQPJQ-AWEZNQCLSA-N	1	1	296.334	1.056	20	50		CDGDMO
N#CC1=CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380641	609480654	/nfs/dbraw/zinc/48/06/54/609480654.db2.gz	IMWIBQBLEAQPJQ-AWEZNQCLSA-N	1	1	296.334	1.056	20	50		CDGDMO
N#CC1=CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826380483	609475156	/nfs/dbraw/zinc/47/51/56/609475156.db2.gz	CBZHQUUCZXOIPU-UHFFFAOYSA-N	1	1	266.308	1.522	20	50		CDGDMO
N#CC1=CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826380483	609475158	/nfs/dbraw/zinc/47/51/58/609475158.db2.gz	CBZHQUUCZXOIPU-UHFFFAOYSA-N	1	1	266.308	1.522	20	50		CDGDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(NC(=O)CCl)cn1	ZINC001164631158	719249247	/nfs/dbraw/zinc/24/92/47/719249247.db2.gz	CDEGPPSESFXXQD-QWRGUYRKSA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380752	609475214	/nfs/dbraw/zinc/47/52/14/609475214.db2.gz	LLXGLQIHLZBGHR-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO
N#CC1=CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380752	609475216	/nfs/dbraw/zinc/47/52/16/609475216.db2.gz	LLXGLQIHLZBGHR-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO
COc1ccc(C[N@H+]2CC=C(C#N)CC2)cc1-c1nn[nH]n1	ZINC000826193706	608383743	/nfs/dbraw/zinc/38/37/43/608383743.db2.gz	MGEPGGNFYSIDLD-UHFFFAOYSA-N	1	1	296.334	1.531	20	50		CDGDMO
COc1ccc(C[N@@H+]2CC=C(C#N)CC2)cc1-c1nn[nH]n1	ZINC000826193706	608383745	/nfs/dbraw/zinc/38/37/45/608383745.db2.gz	MGEPGGNFYSIDLD-UHFFFAOYSA-N	1	1	296.334	1.531	20	50		CDGDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634849	719232817	/nfs/dbraw/zinc/23/28/17/719232817.db2.gz	HSVNEPPWBCYQEM-GHMZBOCLSA-N	1	1	296.802	1.788	20	50		CDGDMO
N#CC1=CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826380679	609484816	/nfs/dbraw/zinc/48/48/16/609484816.db2.gz	JHNSAQXDNVMGIY-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO
N#CC1=CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826380679	609484818	/nfs/dbraw/zinc/48/48/18/609484818.db2.gz	JHNSAQXDNVMGIY-UHFFFAOYSA-N	1	1	296.334	1.401	20	50		CDGDMO