smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCO[P@@](=O)([O-])OC[C@@H](COCc1ccccc1)Oc1ccccc1	ZINC000040875322	717128038	/nfs/dbraw/zinc/12/80/38/717128038.db2.gz	XXFYMVMKLFUROC-OAQYLSRUSA-O	0	0	424.454	3.491	1	5		HGBFRN
CCCCO[C@@H](COCc1ccccc1)CO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000040878954	717127969	/nfs/dbraw/zinc/12/79/69/717127969.db2.gz	RFZBOETUACKJNA-IBGZPJMESA-O	0	0	404.464	3.228	1	5		HGBFRN
COc1cc2c(c(OC)c1OC)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CC[N+]1(C)[O-]	ZINC000085996673	717137344	/nfs/dbraw/zinc/13/73/44/717137344.db2.gz	KVRQAVLXNPXEES-JRQMZCAUSA-N	0	0	415.442	3.214	1	5		HGBFRN
Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c2n1c1ccc(Br)cc1c3=O	ZINC000101446278	717144875	/nfs/dbraw/zinc/14/48/75/717144875.db2.gz	ARXUOQXSVWEMQY-UHFFFAOYSA-N	0	0	415.291	3.496	1	5		HGBFRN
COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1	ZINC000013154606	569410104	/nfs/dbraw/zinc/41/01/04/569410104.db2.gz	PHVJOZFYTCDHBH-UAFMIMERSA-N	0	0	415.446	3.406	1	5		HGBFRN
C[N+](C)(C)CCO[P@@](=O)([O-])OC[C@H](COCc1ccccc1)Oc1ccccc1	ZINC000040875324	717127860	/nfs/dbraw/zinc/12/78/60/717127860.db2.gz	XXFYMVMKLFUROC-NRFANRHFSA-O	0	0	424.454	3.491	1	5		HGBFRN
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@H](c2ccccc2)[N+](C)([O-])C1	ZINC000026268803	717113849	/nfs/dbraw/zinc/11/38/49/717113849.db2.gz	SDIAALDEQNWSDC-XGLRFROISA-N	0	0	405.495	3.252	1	5		HGBFRN
C[N+]1(CCO[P@](=O)([O-])OCCCCCCOc2ccccc2)CCOCC1	ZINC000027866949	717115239	/nfs/dbraw/zinc/11/52/39/717115239.db2.gz	JLIJWFSMDNMILM-UHFFFAOYSA-O	0	0	402.448	3.236	1	5		HGBFRN
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N+](C)([O-])CC3	ZINC000014639541	717110635	/nfs/dbraw/zinc/11/06/35/717110635.db2.gz	VNBHQEBDHVUTGL-NGMICRHFSA-N	0	0	401.459	3.494	1	5		HGBFRN
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@@H](c2ccccc2)[N+](C)([O-])C1	ZINC000026268796	717114083	/nfs/dbraw/zinc/11/40/83/717114083.db2.gz	SDIAALDEQNWSDC-PHSANKKPSA-N	0	0	405.495	3.252	1	5		HGBFRN
COCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000003078093	536897115	/nfs/dbraw/zinc/89/71/15/536897115.db2.gz	ZULQKYRWBUJZGR-LJQANCHMSA-N	0	0	411.414	3.329	3	5		HGBFRN
COC(=O)[C@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N(C(=O)OC)[C@@]15CC2)[C@@H]34	ZINC000238772893	717163170	/nfs/dbraw/zinc/16/31/70/717163170.db2.gz	LUMKFAALHXMJDY-RMZOGOIOSA-N	0	0	412.486	3.103	1	5		HGBFRN
CCCCO[C@H](COCc1ccccc1)CO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000040878959	717128117	/nfs/dbraw/zinc/12/81/17/717128117.db2.gz	RFZBOETUACKJNA-LJQANCHMSA-O	0	0	404.464	3.228	1	5		HGBFRN
O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c1	ZINC000015935597	132463367	/nfs/dbraw/zinc/46/33/67/132463367.db2.gz	RJERXRUALHYQQU-UHFFFAOYSA-N	0	0	420.878	3.240	3	5		HGBFRN
COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1	ZINC000013154604	569410054	/nfs/dbraw/zinc/41/00/54/569410054.db2.gz	PHVJOZFYTCDHBH-VNTMZGSJSA-N	0	0	415.446	3.406	1	5		HGBFRN
C[N+](C)([O-])CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21	ZINC000040943035	717127687	/nfs/dbraw/zinc/12/76/87/717127687.db2.gz	JODSYEVWZZNZMV-UHFFFAOYSA-N	0	0	400.435	3.114	1	5		HGBFRN
CN1CCN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])CC1	ZINC000004846142	132290572	/nfs/dbraw/zinc/29/05/72/132290572.db2.gz	QYJSXKKODPSROV-UHFFFAOYSA-N	0	0	404.264	3.340	3	5		HGBFRN