smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCCc2cc(CN3CCC(c4nnc5n4CCNC5)CC3)ccc21	ZINC000019711230	539667599	/nfs/dbraw/zinc/66/75/99/539667599.db2.gz	YKHKEGNNVFJMOT-UHFFFAOYSA-N	0	3	366.513	2.143	40	10		FECBHN
COc1cccc([C@@H](NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O	ZINC000005956777	539419378	/nfs/dbraw/zinc/41/93/78/539419378.db2.gz	KJVXAPMCCRGFHA-QGZVFWFLSA-N	0	3	369.377	2.345	40	10		FECBHN
CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000001770392	209391801	/nfs/dbraw/zinc/39/18/01/209391801.db2.gz	CXSBICVJYBGJGG-BENRWUELSA-N	0	3	370.521	2.444	40	10		FECBHN
COc1ccc(CN2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)c(O)c1	ZINC000225494033	548736429	/nfs/dbraw/zinc/73/64/29/548736429.db2.gz	MHTNWKCJHGUEMB-KRWDZBQOSA-N	0	3	357.454	2.307	40	10	biogenic,in-vitro	FECBHN
CN(C)c1ccc(CN2CCC(c3noc([C@H]4CCC(=O)N4)n3)CC2)cc1	ZINC000012222357	207350544	/nfs/dbraw/zinc/35/05/44/207350544.db2.gz	GXLLTFILJKUTTE-QGZVFWFLSA-N	0	3	369.469	2.466	40	10		FECBHN
CN(CCO)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2F)cc1	ZINC000019586142	211238410	/nfs/dbraw/zinc/23/84/10/211238410.db2.gz	NLQCKSZPKZAXOQ-CTNGQTDRSA-N	0	3	371.456	2.364	40	10		FECBHN
CN(C)c1ccc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)cc1	ZINC000012222356	539550694	/nfs/dbraw/zinc/55/06/94/539550694.db2.gz	GXLLTFILJKUTTE-KRWDZBQOSA-N	0	3	369.469	2.466	40	10		FECBHN
c1cc(N2CCCC2)ccc1CN1CCC(c2nnc3n2CCNC3)CC1	ZINC000019711264	220288196	/nfs/dbraw/zinc/28/81/96/220288196.db2.gz	SUZQFNBLHUTKQD-UHFFFAOYSA-N	0	3	366.513	2.361	40	10		FECBHN
CN(C)CCN(Cc1ccncc1)Cc1ccc(N2CCOCC2)cc1	ZINC000022913787	539702807	/nfs/dbraw/zinc/70/28/07/539702807.db2.gz	LMUBNZONXUUWTC-UHFFFAOYSA-N	0	3	354.498	2.482	40	10		FECBHN
COc1ccc(N2CCN(C(=N)Nc3ccc([N+](=O)[O-])cn3)CC2)cc1	ZINC000225239169	536675670	/nfs/dbraw/zinc/67/56/70/536675670.db2.gz	XXQCZPSWBCOILP-UHFFFAOYSA-N	0	3	356.386	2.167	40	10		FECBHN
OCCN1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1	ZINC000022460687	539695226	/nfs/dbraw/zinc/69/52/26/539695226.db2.gz	PBSWDNIKKDFPMH-HXUWFJFHSA-N	0	3	364.449	2.035	40	10		FECBHN
CN(C)CCOC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005376091	207097462	/nfs/dbraw/zinc/09/74/62/207097462.db2.gz	KRVJWUMQEXMFPN-ACCUITESSA-N	0	3	368.480	2.366	40	10		FECBHN
COc1cccc([C@H](NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O	ZINC000006424699	207140256	/nfs/dbraw/zinc/14/02/56/207140256.db2.gz	KJVXAPMCCRGFHA-KRWDZBQOSA-N	0	3	369.377	2.345	40	10		FECBHN
Oc1ccccc1CNC1(Cc2cc(CN3CCCCC3)on2)COC1	ZINC000067898432	211278369	/nfs/dbraw/zinc/27/83/69/211278369.db2.gz	IRGIFADJJVJODS-UHFFFAOYSA-N	0	3	357.454	2.467	40	10	biogenic,in-vitro	FECBHN
Oc1ccccc1CN1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12	ZINC000013266952	539585615	/nfs/dbraw/zinc/58/56/15/539585615.db2.gz	NTVUYYLINIMMOS-MAUKXSAKSA-N	0	3	352.438	2.281	40	10		FECBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](Sc2ccccc2)[C@H]1O	ZINC000020463743	220327635	/nfs/dbraw/zinc/32/76/35/220327635.db2.gz	AGUBEXLUYDPTRA-UJWQCDCRSA-N	0	3	359.447	2.127	40	10	biogenic,in-vitro	FECBHN
OCCN1CCN([C@H](c2ccccn2)c2ccc3cccnc3c2O)CC1	ZINC000022460692	220386414	/nfs/dbraw/zinc/38/64/14/220386414.db2.gz	PBSWDNIKKDFPMH-FQEVSTJZSA-N	0	3	364.449	2.035	40	10		FECBHN