smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106124330	543204873	/nfs/dbraw/zinc/20/48/73/543204873.db2.gz	NDXGJIDAUJNEAR-MRXNPFEDSA-N	2	0	365.474	2.388	10	5		FEBERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH+]1	ZINC000171650871	327151672	/nfs/dbraw/zinc/15/16/72/327151672.db2.gz	XGPJJSCAEOGLNQ-AWEZNQCLSA-N	2	0	369.425	2.331	10	5		FEBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193903212	548404463	/nfs/dbraw/zinc/40/44/63/548404463.db2.gz	BUJUWFSWSFQOJX-ZDUSSCGKSA-N	2	0	366.418	2.028	10	5		FEBERP
CC[N+](C)(CC)C[C@@H]1CO[C@H](CC[C@@H]2OC[C@H](C[N+](C)(CC)CC)O2)O1	ZINC000005651738	717101034	/nfs/dbraw/zinc/10/10/34/717101034.db2.gz	HYBOYHWGGNIXBX-JVSBHGNQSA-N	2	0	374.566	2.222	10	5		FEBERP
COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000106124798	543204741	/nfs/dbraw/zinc/20/47/41/543204741.db2.gz	NQBQXSJJXPVUFO-AWEZNQCLSA-N	2	0	351.447	2.128	10	5		FEBERP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH+]1	ZINC000171650876	327151648	/nfs/dbraw/zinc/15/16/48/327151648.db2.gz	XGPJJSCAEOGLNQ-CQSZACIVSA-N	2	0	369.425	2.331	10	5		FEBERP
CC[N+](C)(CC)C[C@@H]1CO[C@@H](CC[C@H]2OC[C@@H](C[N+](C)(CC)CC)O2)O1	ZINC000031771038	717120593	/nfs/dbraw/zinc/12/05/93/717120593.db2.gz	HYBOYHWGGNIXBX-WTGUMLROSA-N	2	0	374.566	2.222	10	5		FEBERP
C[N+](C)(C)CCOC(=O)CCCCCCCC(=O)OCC[N+](C)(C)C	ZINC000031542487	717119958	/nfs/dbraw/zinc/11/99/58/717119958.db2.gz	KDNFEOMFGYMSHG-UHFFFAOYSA-N	2	0	360.539	2.216	10	5		FEBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177055434	546533299	/nfs/dbraw/zinc/53/32/99/546533299.db2.gz	QHIAULKXWDJJHT-ZDUSSCGKSA-N	2	0	362.430	2.261	10	5		FEBERP
COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1F	ZINC000184202399	547785397	/nfs/dbraw/zinc/78/53/97/547785397.db2.gz	JMNHMUNCZLVPFN-ZDUSSCGKSA-N	2	0	369.437	2.267	10	5		FEBERP
C[N+](C)(C)CCCOC(=O)c1ccc(C(=O)OCCC[N+](C)(C)C)cc1	ZINC000005764615	717101745	/nfs/dbraw/zinc/10/17/45/717101745.db2.gz	BRZXSNMRZMFEQV-UHFFFAOYSA-N	2	0	366.502	2.193	10	5		FEBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106124325	543204813	/nfs/dbraw/zinc/20/48/13/543204813.db2.gz	NDXGJIDAUJNEAR-INIZCTEOSA-N	2	0	365.474	2.388	10	5		FEBERP
COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000106124803	543204337	/nfs/dbraw/zinc/20/43/37/543204337.db2.gz	NQBQXSJJXPVUFO-CQSZACIVSA-N	2	0	351.447	2.128	10	5		FEBERP
Cc1ccc(OP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C)cc1	ZINC000002016314	717093575	/nfs/dbraw/zinc/09/35/75/717093575.db2.gz	FKLPGSRHZVAFMJ-UHFFFAOYSA-N	2	0	358.467	2.074	10	5		FEBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177055447	546533568	/nfs/dbraw/zinc/53/35/68/546533568.db2.gz	QHIAULKXWDJJHT-CYBMUJFWSA-N	2	0	362.430	2.261	10	5		FEBERP
COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1F	ZINC000184202416	547785532	/nfs/dbraw/zinc/78/55/32/547785532.db2.gz	JMNHMUNCZLVPFN-CYBMUJFWSA-N	2	0	369.437	2.267	10	5		FEBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193903225	548404576	/nfs/dbraw/zinc/40/45/76/548404576.db2.gz	BUJUWFSWSFQOJX-CYBMUJFWSA-N	2	0	366.418	2.028	10	5		FEBERP
CC[N+](C)(CC)CCNc1nc(Cl)nc(NCC[N+](C)(CC)CC)n1	ZINC000005955215	717102837	/nfs/dbraw/zinc/10/28/37/717102837.db2.gz	BYUXAEFMKGRDGO-UHFFFAOYSA-N	2	0	373.977	2.322	10	5		FEBERP
C[N+](C)(C)CCC[n+]1ccc(-c2cc[n+](CCC[N+](C)(C)C)cc2)cc1	ZINC000204925348	717159261	/nfs/dbraw/zinc/15/92/61/717159261.db2.gz	RHUHAEOMZGWHEL-UHFFFAOYSA-N	4	0	358.574	2.121	10	5		FEBERP