smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CCC(=O)[O-])(c1ccc(O)c(C[NH+]2CCOCC2)c1)c1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000004721635	520149278	/nfs/dbraw/zinc/14/92/78/520149278.db2.gz	JWNUBAIGCVTLMJ-UHFFFAOYSA-N	1	2	484.593	2.933	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	ZINC000245230013	570056318	/nfs/dbraw/zinc/05/63/18/570056318.db2.gz	KAAOTIJMRYFMMU-FBROZUCGSA-N	1	2	451.523	2.533	40	10		JFCBLO
COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000245230733	570056748	/nfs/dbraw/zinc/05/67/48/570056748.db2.gz	XUDDVVIZLWWTEK-FBROZUCGSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	ZINC000245230603	570056625	/nfs/dbraw/zinc/05/66/25/570056625.db2.gz	VDMAGFMETDGXLX-UPUUWEMXSA-N	1	2	451.523	2.533	40	10		JFCBLO
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCSCc1[nH]c[nH+]c1C	ZINC000020287476	555756047	/nfs/dbraw/zinc/75/60/47/555756047.db2.gz	JZVOXGSVUNBFSG-ZHZULCJRSA-N	1	2	472.527	2.689	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	ZINC000019529593	556352346	/nfs/dbraw/zinc/35/23/46/556352346.db2.gz	VDMAGFMETDGXLX-UGCAPWQASA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	ZINC000019529591	556352357	/nfs/dbraw/zinc/35/23/57/556352357.db2.gz	VDMAGFMETDGXLX-PDFGSZSQSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1	ZINC000224975895	569966635	/nfs/dbraw/zinc/96/66/35/569966635.db2.gz	RFPHIMFFXDWPDS-UHFFFAOYSA-N	1	2	458.628	2.707	40	10		JFCBLO
COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000020150634	555666999	/nfs/dbraw/zinc/66/69/99/555666999.db2.gz	XUDDVVIZLWWTEK-VWEIPLKFSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	ZINC000019529599	556352329	/nfs/dbraw/zinc/35/23/29/556352329.db2.gz	KAAOTIJMRYFMMU-UKDJSQQHSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	ZINC000245230014	570056284	/nfs/dbraw/zinc/05/62/84/570056284.db2.gz	KAAOTIJMRYFMMU-UPUUWEMXSA-N	1	2	451.523	2.533	40	10		JFCBLO
COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000245230734	570056776	/nfs/dbraw/zinc/05/67/76/570056776.db2.gz	XUDDVVIZLWWTEK-UPUUWEMXSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	ZINC000019529597	556352378	/nfs/dbraw/zinc/35/23/78/556352378.db2.gz	VDMAGFMETDGXLX-UWHHFBIGSA-N	1	2	451.523	2.533	40	10		JFCBLO
COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000100421482	569759835	/nfs/dbraw/zinc/75/98/35/569759835.db2.gz	XUDDVVIZLWWTEK-UKDJSQQHSA-N	1	2	467.591	2.868	40	10		JFCBLO
COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000231643522	570046853	/nfs/dbraw/zinc/04/68/53/570046853.db2.gz	XUDDVVIZLWWTEK-QTDDQOEGSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	ZINC000245230602	570056575	/nfs/dbraw/zinc/05/65/75/570056575.db2.gz	VDMAGFMETDGXLX-FBROZUCGSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	ZINC000004092947	521354494	/nfs/dbraw/zinc/35/44/94/521354494.db2.gz	VDMAGFMETDGXLX-AIFLQVKLSA-N	1	2	451.523	2.533	40	10		JFCBLO
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCC[NH+]2CCOCC2)cc1	ZINC000020288700	555758257	/nfs/dbraw/zinc/75/82/57/555758257.db2.gz	IEEDIKGXBPNWCA-NKFKGCMQSA-N	1	2	450.539	2.651	40	10		JFCBLO
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000100421480	569759813	/nfs/dbraw/zinc/75/98/13/569759813.db2.gz	XUDDVVIZLWWTEK-HULNYRCFSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	ZINC000169293608	569868160	/nfs/dbraw/zinc/86/81/60/569868160.db2.gz	VDMAGFMETDGXLX-QTDDQOEGSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000225114142	569975674	/nfs/dbraw/zinc/97/56/74/569975674.db2.gz	INAGMAFKKXWNMH-UHFFFAOYSA-N	1	2	458.628	2.540	40	10		JFCBLO
COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000020150637	555666949	/nfs/dbraw/zinc/66/69/49/555666949.db2.gz	XUDDVVIZLWWTEK-UWHHFBIGSA-N	1	2	467.591	2.868	40	10		JFCBLO
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000020150636	555666981	/nfs/dbraw/zinc/66/69/81/555666981.db2.gz	XUDDVVIZLWWTEK-QDMVCWPOSA-N	1	2	467.591	2.868	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	ZINC000019529605	556352370	/nfs/dbraw/zinc/35/23/70/556352370.db2.gz	KAAOTIJMRYFMMU-UWHHFBIGSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	ZINC000012635670	195067427	/nfs/dbraw/zinc/06/74/27/195067427.db2.gz	KAAOTIJMRYFMMU-UGCAPWQASA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	ZINC000019529601	556352299	/nfs/dbraw/zinc/35/22/99/556352299.db2.gz	KAAOTIJMRYFMMU-AIFLQVKLSA-N	1	2	451.523	2.533	40	10		JFCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	ZINC000012635665	195067439	/nfs/dbraw/zinc/06/74/39/195067439.db2.gz	KAAOTIJMRYFMMU-PDFGSZSQSA-N	1	2	451.523	2.533	40	10		JFCBLO
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSCc1[nH]c[nH+]c1C	ZINC000020287470	555756198	/nfs/dbraw/zinc/75/61/98/555756198.db2.gz	XLVLGAKGPCOUTG-QNGOZBTKSA-N	1	2	457.556	2.789	40	10		JFCBLO
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCC[NH+]2CCOCC2)cc1	ZINC000020288703	555758306	/nfs/dbraw/zinc/75/83/06/555758306.db2.gz	WOVWTIZKMHNEMN-XLNRJJMWSA-N	1	2	465.510	2.550	40	10		JFCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	ZINC000227142247	570039848	/nfs/dbraw/zinc/03/98/48/570039848.db2.gz	KAAOTIJMRYFMMU-QTDDQOEGSA-N	1	2	451.523	2.533	40	10		JFCBLO
CC1(C)OC(=O)C(=Cc2ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)C(=O)O1	ZINC000059488825	569605598	/nfs/dbraw/zinc/60/55/98/569605598.db2.gz	VEYWTVCDMKNGBB-UHFFFAOYSA-N	1	2	495.488	2.865	40	10		JFCBLO
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCC[NH+]1CCN(C(=O)Nc2ccccc2)CC1	ZINC000020828121	195229756	/nfs/dbraw/zinc/22/97/56/195229756.db2.gz	KGGQVUWDOWIIQX-XLNRJJMWSA-N	1	2	477.525	2.641	40	10		JFCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	ZINC000004092946	521179179	/nfs/dbraw/zinc/17/91/79/521179179.db2.gz	VDMAGFMETDGXLX-UKDJSQQHSA-N	1	2	451.523	2.533	40	10		JFCBLO