smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@@H+](C)Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008571840	563347818	/nfs/dbraw/zinc/34/78/18/563347818.db2.gz	HOGOMECAXGTSGL-UHFFFAOYSA-N	1	1	308.425	4.634	50	5		DJBAMO
Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[N@@H+]1CCCC[C@H]1C	ZINC000008691926	563949699	/nfs/dbraw/zinc/94/96/99/563949699.db2.gz	MBOWWKLFHMCHCT-CQSZACIVSA-N	1	1	320.436	4.776	50	5		DJBAMO
CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004985377	181184581	/nfs/dbraw/zinc/18/45/81/181184581.db2.gz	IVDPYEQPYPJCRD-OAHLLOKOSA-N	1	1	314.385	4.619	50	5		DJBAMO
CCC[N@@H+](CCO)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000001227995	563279982	/nfs/dbraw/zinc/27/99/82/563279982.db2.gz	VCDWFEKYNNDMOR-UHFFFAOYSA-N	1	1	317.432	4.788	50	5		DJBAMO
C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036753867	563903961	/nfs/dbraw/zinc/90/39/61/563903961.db2.gz	IASBMPBMWUVNSZ-ZDUSSCGKSA-N	1	1	310.353	4.534	50	5		DJBAMO
O[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1	ZINC000004988889	181185978	/nfs/dbraw/zinc/18/59/78/181185978.db2.gz	QFTFZZJYAPSZFF-IBGZPJMESA-N	1	1	315.416	4.541	50	5		DJBAMO
Cc1cc(Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2[nH+]1	ZINC000000143888	563572754	/nfs/dbraw/zinc/57/27/54/563572754.db2.gz	BTZIBQAXSXAZLK-UHFFFAOYSA-N	1	1	313.744	4.848	50	5		DJBAMO
CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004985381	181184167	/nfs/dbraw/zinc/18/41/67/181184167.db2.gz	IVDPYEQPYPJCRD-HNNXBMFYSA-N	1	1	314.385	4.619	50	5		DJBAMO
C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036753869	563904021	/nfs/dbraw/zinc/90/40/21/563904021.db2.gz	IASBMPBMWUVNSZ-CYBMUJFWSA-N	1	1	310.353	4.534	50	5		DJBAMO
Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[N@@H+]1CCCC[C@@H]1C	ZINC000008691925	563949788	/nfs/dbraw/zinc/94/97/88/563949788.db2.gz	MBOWWKLFHMCHCT-AWEZNQCLSA-N	1	1	320.436	4.776	50	5		DJBAMO
O[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1	ZINC000004988890	181185996	/nfs/dbraw/zinc/18/59/96/181185996.db2.gz	QFTFZZJYAPSZFF-LJQANCHMSA-N	1	1	315.416	4.541	50	5		DJBAMO
CN1CCC([N@@H+](C)Cc2c3ccccc3cc3ccccc32)CC1	ZINC000042465335	183273830	/nfs/dbraw/zinc/27/38/30/183273830.db2.gz	AIFAUFSFOBKZND-UHFFFAOYSA-N	1	1	318.464	4.519	50	5		DJBAMO
O=C(C[NH+]1CCCCC1)c1ccc2c(ccc3ccccc32)c1	ZINC000001017348	563786718	/nfs/dbraw/zinc/78/67/18/563786718.db2.gz	IIHRAWYUSFCROR-UHFFFAOYSA-N	1	1	303.405	4.662	50	5		DJBAMO
CN(C)CC[N@@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000022586622	563418933	/nfs/dbraw/zinc/41/89/33/563418933.db2.gz	AQWFSSMICLZQOA-UHFFFAOYSA-N	1	1	316.448	4.577	50	5		DJBAMO
CN(CC[NH+](C)C)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000022586622	563418935	/nfs/dbraw/zinc/41/89/35/563418935.db2.gz	AQWFSSMICLZQOA-UHFFFAOYSA-N	1	1	316.448	4.577	50	5		DJBAMO
Cc1cc(NCC[NH+]2CCCCC2)c2ccc3ccccc3c2n1	ZINC000000099043	563539439	/nfs/dbraw/zinc/53/94/39/563539439.db2.gz	QITUAKDIBCEXLI-UHFFFAOYSA-N	1	1	319.452	4.594	50	5		DJBAMO