smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O	ZINC000169339441	136197121	/nfs/dbraw/zinc/19/71/21/136197121.db2.gz	BRYBZRNLWFDPDU-UHFFFAOYSA-N	0	1	375.812	4.196	1	5		GIBFMN
CC1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])CC1	ZINC000169339457	136197220	/nfs/dbraw/zinc/19/72/20/136197220.db2.gz	HRQIFXFABWGDFM-UHFFFAOYSA-N	0	1	389.839	4.442	1	5		GIBFMN
COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1O	ZINC000040936656	205075553	/nfs/dbraw/zinc/07/55/53/205075553.db2.gz	AYUUUJGKWUWJBU-IDNTVEGQSA-N	0	1	375.421	4.080	1	5		GIBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCC1C2CC3CC(C2)CC1C3	ZINC000028712517	717115619	/nfs/dbraw/zinc/11/56/19/717115619.db2.gz	UHUCPXIUBAMVEE-UHFFFAOYSA-O	0	1	388.509	4.459	1	5		GIBFMN
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1	ZINC000028821384	207349482	/nfs/dbraw/zinc/34/94/82/207349482.db2.gz	BAYSOSKDAJWQFJ-UHFFFAOYSA-N	0	1	389.455	4.142	1	5	in-vivo	GIBFMN
C=C1N=C(C)C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000100036801	208371336	/nfs/dbraw/zinc/37/13/36/208371336.db2.gz	DRKKFEDPIHQMQP-BDBAMQCISA-N	0	1	388.420	4.042	1	5		GIBFMN
COc1ccc2c(C[N@H+]3CCCC[C@H]3C(=O)[O-])cc3cc4c(cc3c2c1)OCO4	ZINC000028706142	207346128	/nfs/dbraw/zinc/34/61/28/207346128.db2.gz	ZYUSPOJDSQTADH-FQEVSTJZSA-N	0	1	393.439	4.169	1	5		GIBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CCCC[C@@H]2[C@@H]1O	ZINC000013411460	206261523	/nfs/dbraw/zinc/26/15/23/206261523.db2.gz	KKXLHPYVIGADHN-YKSBVNFPSA-N	0	1	393.483	4.420	1	5		GIBFMN
C[C@@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])C1	ZINC000169339451	136197156	/nfs/dbraw/zinc/19/71/56/136197156.db2.gz	MMCMGCRXLHKELO-GFCCVEGCSA-N	0	1	389.839	4.442	1	5		GIBFMN
C[C@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])C1	ZINC000169339453	136197114	/nfs/dbraw/zinc/19/71/14/136197114.db2.gz	MMCMGCRXLHKELO-LBPRGKRZSA-N	0	1	389.839	4.442	1	5		GIBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC(C)C	ZINC000100370794	211386798	/nfs/dbraw/zinc/38/67/98/211386798.db2.gz	GFWNJMPBCYKROJ-GMQRBVGNSA-N	0	1	388.420	4.042	1	5		GIBFMN
C=C1N=C(C)C(C(=O)OCC(C)C)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000100018911	211381795	/nfs/dbraw/zinc/38/17/95/211381795.db2.gz	OSCYLUQUDCIHGJ-CQGUWYRNSA-N	0	1	388.420	4.042	3	5	investigational	GIBFMN
O=C1c2c3c4ccccc4[nH]c3c3ccccc3c2C(=O)N1CCc1cnc[nH]1	ZINC000013679835	210077498	/nfs/dbraw/zinc/07/74/98/210077498.db2.gz	YTRDDWBIOHPYHC-UHFFFAOYSA-N	0	1	380.407	4.036	1	5		GIBFMN
c1ccc2c3c(ccc2c1)n(CCN1CCOCC1)c1nc2ccccc2nc13	ZINC000066077914	211001013	/nfs/dbraw/zinc/00/10/13/211001013.db2.gz	AOAVVFHXPSGISD-UHFFFAOYSA-N	0	1	382.467	4.223	1	5		GIBFMN
COc1cccc(F)c1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc21	ZINC000073157216	211123814	/nfs/dbraw/zinc/12/38/14/211123814.db2.gz	DSIUXAXVFGLHPR-UHFFFAOYSA-N	0	1	386.390	4.459	1	5		GIBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2CN2CCCC[C@H]2[C@H]1O	ZINC000014947650	221319607	/nfs/dbraw/zinc/31/96/07/221319607.db2.gz	KKXLHPYVIGADHN-GBXCKJPGSA-N	0	1	393.483	4.420	1	5		GIBFMN
COC1=C[C@@H]2Cc3c4cc(OC)c(OC)cc4c4cc(OC)ccc4c3CN2C1	ZINC000095555035	222355019	/nfs/dbraw/zinc/35/50/19/222355019.db2.gz	REBHYHNVBBDCLC-CQSZACIVSA-N	0	1	391.467	4.289	1	5		GIBFMN
COc1cc2c3cc4c(cc3c3c(c2cc1OC)C[N@H+]1CCC[C@@H]1C3)OCO4	ZINC000015216026	221334140	/nfs/dbraw/zinc/33/41/40/221334140.db2.gz	XYIVQGONBIUUEZ-CYBMUJFWSA-N	0	1	377.440	4.259	1	5		GIBFMN