smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(O[C@@H]1C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	ZINC000066065998	563157029	/nfs/dbraw/zinc/15/70/29/563157029.db2.gz	RZJQSNMDLPXBRA-DFNWWWCKSA-N	1	0	447.463	1.725	1	5		IDBFRO
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@]34O	ZINC000013099318	717107133	/nfs/dbraw/zinc/10/71/33/717107133.db2.gz	NMDDWSIRDRACCC-CMQQWUCLSA-N	1	0	425.505	1.574	1	5		IDBFRO
COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O	ZINC000255246758	717171418	/nfs/dbraw/zinc/17/14/18/717171418.db2.gz	NMDDWSIRDRACCC-HTZCLLBCSA-N	1	0	425.505	1.574	1	5		IDBFRO
C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	ZINC000238742600	717162181	/nfs/dbraw/zinc/16/21/81/717162181.db2.gz	BDGDVRSRRTXNLI-ZULTZMHASA-N	1	0	427.521	1.960	1	5		IDBFRO
COc1cc2c(cc1OC)[C@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O	ZINC000013786317	717109579	/nfs/dbraw/zinc/10/95/79/717109579.db2.gz	NMDDWSIRDRACCC-VXIWXQLHSA-N	1	0	425.505	1.574	1	5		IDBFRO
C[N+](C)(CCCCNC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N	ZINC000073198501	563170065	/nfs/dbraw/zinc/17/00/65/563170065.db2.gz	QPJTUMBZUQJSIO-UHFFFAOYSA-O	1	0	434.952	1.311	1	5		IDBFRO
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@]34O	ZINC000013099316	717106960	/nfs/dbraw/zinc/10/69/60/717106960.db2.gz	NMDDWSIRDRACCC-RRVOPWKUSA-N	1	0	425.505	1.574	1	5		IDBFRO
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C	ZINC000238763131	717162594	/nfs/dbraw/zinc/16/25/94/717162594.db2.gz	SRKOVSFFLQJSGJ-BMSYMNAUSA-N	1	0	449.568	1.280	1	5		IDBFRO
Cc1ccc(C(=O)NCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1	ZINC000073199181	563170156	/nfs/dbraw/zinc/17/01/56/563170156.db2.gz	MPFXTFRQLUBPKI-UHFFFAOYSA-O	1	0	448.979	1.619	1	5		IDBFRO
C[N+](C)(CCCCNC(=O)Cc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N	ZINC000073275386	563171572	/nfs/dbraw/zinc/17/15/72/563171572.db2.gz	XZGIOQMEBPSUHA-UHFFFAOYSA-O	1	0	448.979	1.240	1	5		IDBFRO
C[N+](C)(CCNC(=O)c1ccc(Cl)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N	ZINC000073279588	563171765	/nfs/dbraw/zinc/17/17/65/563171765.db2.gz	PSKKTFJYBOCOPG-UHFFFAOYSA-O	1	0	441.343	1.184	1	5		IDBFRO
CCCn1c(=O)c2ccc(NCC[NH+](C)C)c3c(=O)c4cc([N+](=O)[O-])ccc4n(c1=O)c23	ZINC000027755871	563046823	/nfs/dbraw/zinc/04/68/23/563046823.db2.gz	JMBAJGLMTPTDGA-UHFFFAOYSA-N	1	0	437.456	1.857	1	5		IDBFRO
O=C(O[C@H]1C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	ZINC000066065999	563157022	/nfs/dbraw/zinc/15/70/22/563157022.db2.gz	RZJQSNMDLPXBRA-PJIJJOFYSA-N	1	0	447.463	1.725	1	5		IDBFRO
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C	ZINC000238768258	717163077	/nfs/dbraw/zinc/16/30/77/717163077.db2.gz	SRKOVSFFLQJSGJ-RLQTXXMZSA-N	1	0	449.568	1.280	1	5		IDBFRO