smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C	ZINC001301886299	1066896766	/nfs/dbraw/zinc/89/67/66/1066896766.db2.gz	UVQZHHOSDWGPTF-OFNKIYASSA-N	2	0	485.633	3.131	20	5		JGBDRP
CC(C)[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)C	ZINC001303292274	1067817488	/nfs/dbraw/zinc/81/74/88/1067817488.db2.gz	BRHYMHUIUJVCQO-UHFFFAOYSA-N	2	0	485.633	3.273	20	5		JGBDRP
COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C	ZINC001301886300	1066896589	/nfs/dbraw/zinc/89/65/89/1066896589.db2.gz	UVQZHHOSDWGPTF-REWPJTCUSA-N	2	0	485.633	3.131	20	5		JGBDRP
CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C	ZINC001302807416	1067394994	/nfs/dbraw/zinc/39/49/94/1067394994.db2.gz	FMEARTQYJSYKSJ-DEOSSOPVSA-N	2	0	499.660	3.378	20	5		JGBDRP
CC(C)[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C	ZINC001303292305	1067817368	/nfs/dbraw/zinc/81/73/68/1067817368.db2.gz	DBDNUCDKZFMBOP-NRFANRHFSA-N	2	0	485.633	3.131	20	5		JGBDRP
CC(C)[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C	ZINC001303292306	1067817567	/nfs/dbraw/zinc/81/75/67/1067817567.db2.gz	DBDNUCDKZFMBOP-OAQYLSRUSA-N	2	0	485.633	3.131	20	5		JGBDRP
CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C	ZINC001302807417	1067395123	/nfs/dbraw/zinc/39/51/23/1067395123.db2.gz	FMEARTQYJSYKSJ-XMMPIXPASA-N	2	0	499.660	3.378	20	5		JGBDRP
C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCc2cccs2)CC1)[NH+](C)C	ZINC001303697289	1068240703	/nfs/dbraw/zinc/24/07/03/1068240703.db2.gz	XTJYCCKXZMJEKN-SFHVURJKSA-N	2	0	469.615	3.230	20	5		JGBDRP
CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCCC2)CC1	ZINC001303569713	1068092291	/nfs/dbraw/zinc/09/22/91/1068092291.db2.gz	GHMXRLWRJSSXHZ-UHFFFAOYSA-N	2	0	485.633	3.276	20	5		JGBDRP
C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCc2cccs2)CC1)[NH+](C)C	ZINC001303697287	1068240762	/nfs/dbraw/zinc/24/07/62/1068240762.db2.gz	XTJYCCKXZMJEKN-GOSISDBHSA-N	2	0	469.615	3.230	20	5		JGBDRP
COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C	ZINC001301886296	1066896528	/nfs/dbraw/zinc/89/65/28/1066896528.db2.gz	UVQZHHOSDWGPTF-NFBKMPQASA-N	2	0	485.633	3.131	20	5		JGBDRP
COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C	ZINC001301886298	1066896819	/nfs/dbraw/zinc/89/68/19/1066896819.db2.gz	UVQZHHOSDWGPTF-NZQKXSOJSA-N	2	0	485.633	3.131	20	5		JGBDRP