smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccc3O)CCN21	ZINC000253401103	291217710	/nfs/dbraw/zinc/21/77/10/291217710.db2.gz	MMLXQYUIQKBFIG-NRFANRHFSA-N	0	3	408.546	2.882	40	10	biogenic,in-vitro	HFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000020636785	558396199	/nfs/dbraw/zinc/39/61/99/558396199.db2.gz	IDELCLPBTHLVKP-LEWJYISDSA-N	0	3	420.513	2.517	40	10		HFCBHN
COc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(O)c1	ZINC000012143366	132354864	/nfs/dbraw/zinc/35/48/64/132354864.db2.gz	IUTIDVLZQHRETP-QFIPXVFZSA-N	0	3	408.502	2.538	40	10		HFCBHN
COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1	ZINC000225423222	291222354	/nfs/dbraw/zinc/22/23/54/291222354.db2.gz	BMXBFDXYPWCBIO-GOSISDBHSA-N	0	3	417.575	2.943	40	10	biogenic,in-vitro	HFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(N(C)C)cc1	ZINC000020636789	558396218	/nfs/dbraw/zinc/39/62/18/558396218.db2.gz	IDELCLPBTHLVKP-RTWAWAEBSA-N	0	3	420.513	2.517	40	10		HFCBHN
CCN1CCc2cc(CN3C[C@H]4C(=O)Nc5ccccc5C(=O)N[C@@]4(C)C3)ccc21	ZINC000012135367	558333823	/nfs/dbraw/zinc/33/38/23/558333823.db2.gz	MNQKSHAZMQTAKV-CYFREDJKSA-N	0	3	404.514	2.642	40	10		HFCBHN
Cc1cc(N2CCOCC2)ccc1CN1CCC2(CC1)NC(=O)c1ccccc1O2	ZINC000012117987	132354423	/nfs/dbraw/zinc/35/44/23/132354423.db2.gz	RXGINJSSRISYSP-UHFFFAOYSA-N	0	3	407.514	2.946	40	10		HFCBHN
COc1cc(N2CCOCC2)c(OC)cc1CN1CC[C@@](O)(c2ccc(C)cc2)C1	ZINC000019715740	558976936	/nfs/dbraw/zinc/97/69/36/558976936.db2.gz	PMFUYUSHNXUZLR-DEOSSOPVSA-N	0	3	412.530	2.942	40	10		HFCBHN
COc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(O)c1	ZINC000012143365	132354933	/nfs/dbraw/zinc/35/49/33/132354933.db2.gz	IUTIDVLZQHRETP-JOCHJYFZSA-N	0	3	408.502	2.538	40	10		HFCBHN
CCOC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N1	ZINC000408988122	560661855	/nfs/dbraw/zinc/66/18/55/560661855.db2.gz	GYLMHICUVBKIGQ-GOSISDBHSA-N	0	3	405.520	2.886	40	10		HFCBHN
Cn1cc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4O)C[C@H]2N(C)C3=O)cn1	ZINC000514289009	560033456	/nfs/dbraw/zinc/03/34/56/560033456.db2.gz	FCGWUJTXBPAXKX-KNQAVFIVSA-N	0	3	404.470	2.510	40	10	biogenic,in-vitro	HFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(N(C)C)cc1	ZINC000020636793	558396190	/nfs/dbraw/zinc/39/61/90/558396190.db2.gz	IDELCLPBTHLVKP-SFTDATJTSA-N	0	3	420.513	2.517	40	10		HFCBHN
Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000225298925	568628576	/nfs/dbraw/zinc/62/85/76/568628576.db2.gz	IBQLQWQKZPAOCX-UHFFFAOYSA-N	0	3	403.530	2.922	40	10		HFCBHN
CCOC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N1	ZINC000408988124	560661948	/nfs/dbraw/zinc/66/19/48/560661948.db2.gz	GYLMHICUVBKIGQ-SFHVURJKSA-N	0	3	405.520	2.886	40	10		HFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000020636781	558396178	/nfs/dbraw/zinc/39/61/78/558396178.db2.gz	IDELCLPBTHLVKP-NHCUHLMSSA-N	0	3	420.513	2.517	40	10		HFCBHN
[O-]c1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O	ZINC000096269008	291230636	/nfs/dbraw/zinc/23/06/36/291230636.db2.gz	XLQBSTWJFHDYMK-AJSBUHFISA-N	0	3	415.534	2.607	40	10	biogenic,in-vitro	HFCBHN
CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1	ZINC000003828610	536435443	/nfs/dbraw/zinc/43/54/43/536435443.db2.gz	UDLSEQDYARNKTL-QHCPKHFHSA-N	0	3	409.530	2.881	40	10	investigational	HFCBHN
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)c1	ZINC000005375987	557649098	/nfs/dbraw/zinc/64/90/98/557649098.db2.gz	BVCVFXXEKZIZEW-SSZFMOIBSA-N	0	3	408.545	2.781	40	10		HFCBHN
COc1cc(N2CCOCC2)c(OC)cc1CN1CC[C@](O)(c2ccc(C)cc2)C1	ZINC000019715741	558977030	/nfs/dbraw/zinc/97/70/30/558977030.db2.gz	PMFUYUSHNXUZLR-XMMPIXPASA-N	0	3	412.530	2.942	40	10		HFCBHN