smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(N(c2nc3cc[nH]c(=O)c3c3cc(F)ccc32)C2CC2)CC1	ZINC000064549441	208615271	/nfs/dbraw/zinc/61/52/71/208615271.db2.gz	DKLHZNZQFYSDTE-UHFFFAOYSA-N	0	3	366.440	3.278	1	5		FGBFHN
O=C(CCN1CCCC1)Nc1ccc2sc3ccccc3c(=O)c2n1	ZINC000001644202	210364089	/nfs/dbraw/zinc/36/40/89/210364089.db2.gz	TYVCKMXCZMLZNV-UHFFFAOYSA-N	0	3	353.447	3.234	1	5		FGBFHN
CN(C)CCNC(=O)c1cccc2nc3sc4ccccc4c3nc21	ZINC000026169031	211441872	/nfs/dbraw/zinc/44/18/72/211441872.db2.gz	QDVCAWUMNCKOGX-UHFFFAOYSA-N	0	3	350.447	3.289	1	5		FGBFHN
CCN(CC)CCNc1ccc(C(N)=O)c2sc3ccccc3c(=O)c12	ZINC000100972903	222259867	/nfs/dbraw/zinc/25/98/67/222259867.db2.gz	GCESPNHMSAWXEI-UHFFFAOYSA-N	0	3	369.490	3.267	1	5		FGBFHN
CN(C)CCN1C(=O)c2c3c4cc(O)ccc4[nH]c3c3ccccc3c2C1=O	ZINC000013679829	211047987	/nfs/dbraw/zinc/04/79/87/211047987.db2.gz	AIUSDHKAGKCKJV-UHFFFAOYSA-N	0	3	373.412	3.338	1	5		FGBFHN
OCCCN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095571741	132215527	/nfs/dbraw/zinc/21/55/27/132215527.db2.gz	JVZAAUUSTCCRLK-UHFFFAOYSA-N	0	3	360.461	3.374	1	5		FGBFHN
CCCCC[NH2+]C[C@@H](O)COc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000096933357	222142261	/nfs/dbraw/zinc/14/22/61/222142261.db2.gz	GXICEVPXMVPBST-CQSZACIVSA-N	0	3	371.433	3.171	1	5		FGBFHN
CCCCC[NH2+]C[C@@H](O)COc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000096933357	222142262	/nfs/dbraw/zinc/14/22/62/222142262.db2.gz	GXICEVPXMVPBST-CQSZACIVSA-N	0	3	371.433	3.171	1	5		FGBFHN
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000027321774	207929928	/nfs/dbraw/zinc/92/99/28/207929928.db2.gz	SOQQGHWCTSXHPO-UHFFFAOYSA-N	0	3	364.405	3.101	1	5		FGBFHN
CCCCC[NH2+]C[C@H](O)COc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000096933356	209163103	/nfs/dbraw/zinc/16/31/03/209163103.db2.gz	GXICEVPXMVPBST-AWEZNQCLSA-N	0	3	371.433	3.171	1	5		FGBFHN
CCCCC[NH2+]C[C@H](O)COc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000096933356	209163106	/nfs/dbraw/zinc/16/31/06/209163106.db2.gz	GXICEVPXMVPBST-AWEZNQCLSA-N	0	3	371.433	3.171	1	5		FGBFHN
COc1ccc2c(c1)c(=O)c1c3c(ccc1NCCCN(C)C)nc(C)n32	ZINC000100894382	222256404	/nfs/dbraw/zinc/25/64/04/222256404.db2.gz	XILHRPJINFNBFG-UHFFFAOYSA-N	0	3	364.449	3.119	1	5		FGBFHN
CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(C(C)(C)C)ccc13	ZINC000103222453	222326139	/nfs/dbraw/zinc/32/61/39/222326139.db2.gz	FABTZOYPJNBKJS-UHFFFAOYSA-N	0	3	363.465	3.105	1	5		FGBFHN
CN(C)CCNC(=O)c1cc2c3cc(F)ccc3n(C)c2c2cccnc12	ZINC000096921553	222140178	/nfs/dbraw/zinc/14/01/78/222140178.db2.gz	QUNVXTRLJQRHSB-UHFFFAOYSA-N	0	3	364.424	3.310	1	5		FGBFHN