smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH+]1	ZINC000171648756	495969286	/nfs/dbraw/zinc/96/92/86/495969286.db2.gz	KVTZWZZIOHHRBK-INIZCTEOSA-N	2	0	356.426	3.111	10	5		FGBERP
Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH+]1	ZINC000171648505	495969151	/nfs/dbraw/zinc/96/91/51/495969151.db2.gz	UQIFYAOUWSRKEL-MRXNPFEDSA-N	2	0	356.426	3.111	10	5		FGBERP
CCC[N@@+](CC)(CCO)Cc1ccc(C[N@+](CC)(CCC)CCO)cc1	ZINC000256245499	717176515	/nfs/dbraw/zinc/17/65/15/717176515.db2.gz	HGTOGLBYRZHLSX-PSWAGMNNSA-N	2	0	366.590	3.165	10	5		FGBERP
Cc1cccc(NC[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH+]1	ZINC000171649436	495968579	/nfs/dbraw/zinc/96/85/79/495968579.db2.gz	WDMQVMONJJEMQK-MRXNPFEDSA-N	2	0	356.426	3.111	10	5		FGBERP
CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C)[N+](C)(C)C[C@@]1(C)C[N+](C)(C)C	ZINC000005497979	717100147	/nfs/dbraw/zinc/10/01/47/717100147.db2.gz	RYIOOJJMERPRFX-QIJUGHKUSA-N	2	0	362.558	3.416	10	5		FGBERP
CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000179516685	495624866	/nfs/dbraw/zinc/62/48/66/495624866.db2.gz	OSIOQIVTWXBBBI-INIZCTEOSA-N	2	0	363.502	3.243	10	5		FGBERP
CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000179516678	495624908	/nfs/dbraw/zinc/62/49/08/495624908.db2.gz	OSIOQIVTWXBBBI-MRXNPFEDSA-N	2	0	363.502	3.243	10	5		FGBERP
Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH+]1	ZINC000171648499	495969083	/nfs/dbraw/zinc/96/90/83/495969083.db2.gz	UQIFYAOUWSRKEL-INIZCTEOSA-N	2	0	356.426	3.111	10	5		FGBERP
Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH+]1	ZINC000171649430	495968387	/nfs/dbraw/zinc/96/83/87/495968387.db2.gz	WDMQVMONJJEMQK-INIZCTEOSA-N	2	0	356.426	3.111	10	5		FGBERP
CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000175252298	496308648	/nfs/dbraw/zinc/30/86/48/496308648.db2.gz	QBANYQYCBGGFEA-OAHLLOKOSA-N	2	0	356.426	3.323	10	5		FGBERP
CN1c2ccccc2O/C1=C/C=C\c1cc[n+](CCC[N+](C)(C)C)cc1	ZINC000081220679	717135512	/nfs/dbraw/zinc/13/55/12/717135512.db2.gz	IRNFZNDMEONWJL-UHFFFAOYSA-N	2	0	351.494	3.454	10	5		FGBERP
CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000175252321	496309080	/nfs/dbraw/zinc/30/90/80/496309080.db2.gz	QBANYQYCBGGFEA-HNNXBMFYSA-N	2	0	356.426	3.323	10	5		FGBERP
CCC[N@@+](CC)(CCO)Cc1ccc(C[N@@+](CC)(CCC)CCO)cc1	ZINC000256245502	717176467	/nfs/dbraw/zinc/17/64/67/717176467.db2.gz	HGTOGLBYRZHLSX-ZEQRLZLVSA-N	2	0	366.590	3.165	10	5		FGBERP
CCC[N@+](CC)(CCO)Cc1ccc(C[N@+](CC)(CCC)CCO)cc1	ZINC000256245497	717176521	/nfs/dbraw/zinc/17/65/21/717176521.db2.gz	HGTOGLBYRZHLSX-DNQXCXABSA-N	2	0	366.590	3.165	10	5		FGBERP
CCC[N+](CC)(CC)CCN1CCN(CC[N+](CC)(CC)CCC)CC1	ZINC000005424285	717099611	/nfs/dbraw/zinc/09/96/11/717099611.db2.gz	PWDYKQYFZGWFMK-UHFFFAOYSA-N	2	0	370.670	3.137	10	5		FGBERP
CCC(=O)O[C@]1(c2ccccc2)C[C@H](C)[N+](C)(C)C[C@@]1(C)C[N+](C)(C)C	ZINC000005497967	717100297	/nfs/dbraw/zinc/10/02/97/717100297.db2.gz	RYIOOJJMERPRFX-BWAGFHJFSA-N	2	0	362.558	3.416	10	5		FGBERP
CC[N+](CC)(CCCO)Cc1ccc(C[N+](CC)(CC)CCCO)cc1	ZINC000033878909	717122948	/nfs/dbraw/zinc/12/29/48/717122948.db2.gz	UXKDEKKKDUCMFM-UHFFFAOYSA-N	2	0	366.590	3.165	10	5		FGBERP
Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH+]1	ZINC000171648762	495968228	/nfs/dbraw/zinc/96/82/28/495968228.db2.gz	KVTZWZZIOHHRBK-MRXNPFEDSA-N	2	0	356.426	3.111	10	5		FGBERP
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc([N+](C)(C)C)c2)C1C(=O)OC	ZINC000026189750	717114178	/nfs/dbraw/zinc/11/41/78/717114178.db2.gz	LTTKQCKOSVANLF-UHFFFAOYSA-O	2	0	359.446	3.304	10	5		FGBERP