smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)OCc1ccc2[nH+]c3ccc(OC)cc3c(N)c2c1	ZINC000058548523	184122243	/nfs/dbraw/zinc/12/22/43/184122243.db2.gz	WIQQHUAJTZGYQH-UHFFFAOYSA-N	1	0	312.325	3.262	1	10		DGCFRO
CCN(CC)/[N+](O)=N\Oc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000040763304	183130066	/nfs/dbraw/zinc/13/00/66/183130066.db2.gz	ZGSBKHBMCGCFDL-OBGWFSINSA-N	1	0	322.243	3.127	1	10		DGCFRO
COc1cc2c(cc1O)C=C[N+]1(C)c3cc4c(cc3C[C@@H]21)OCO4	ZINC000238783860	717163597	/nfs/dbraw/zinc/16/35/97/717163597.db2.gz	MQIVMYJPBSWZSU-OOJLDXBWSA-O	1	0	324.356	3.348	1	10		DGCFRO
C[n+]1c(C=Cc2c[nH]c3ncccc23)cc(N)c2ccccc21	ZINC000096914082	185391247	/nfs/dbraw/zinc/39/12/47/185391247.db2.gz	VTHGPZOOTUCIGS-UHFFFAOYSA-O	1	0	301.373	3.293	1	10		DGCFRO
C[NH+](C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005845152	181289034	/nfs/dbraw/zinc/28/90/34/181289034.db2.gz	VFPXGZCZMBPZJD-UHFFFAOYSA-N	1	0	310.357	3.270	1	10		DGCFRO
CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(O)c(O)c1	ZINC000071295240	190954621	/nfs/dbraw/zinc/95/46/21/190954621.db2.gz	AKDFDNPWZFGSHU-SFHVURJKSA-N	1	0	308.381	3.377	1	10		DGCFRO
COc1ccc2c3c1-c1c(ccc(O)c1O)C[C@@H]3[N+](C)(C)CC2	ZINC000040592098	183106505	/nfs/dbraw/zinc/10/65/05/183106505.db2.gz	DYOKJZQMJDVVFV-ZDUSSCGKSA-O	1	0	312.389	3.003	1	10		DGCFRO
Oc1ccccc1C[N@@H+]1CCC[C@@H](N2CCc3ccccc3C2)C1	ZINC000022926112	182341072	/nfs/dbraw/zinc/34/10/72/182341072.db2.gz	FNHBKSGFXNXDLJ-HXUWFJFHSA-N	1	0	322.452	3.415	3	10		DGCFRO
COc1ccc(C[C@@H]2c3cc(O)c(O)cc3CC[N+]2(C)C)cc1	ZINC000014439263	717110152	/nfs/dbraw/zinc/11/01/52/717110152.db2.gz	UAOLMHSNXUCGLE-QGZVFWFLSA-O	1	0	314.405	3.023	1	10		DGCFRO
Oc1cc2c(cc1O)[C@@H]1c3sc(Cl)cc3C[NH2+][C@H]1CC2	ZINC000013762016	181891510	/nfs/dbraw/zinc/89/15/10/181891510.db2.gz	IFZPBOWTIKDDCU-HZMBPMFUSA-N	1	0	307.802	3.363	1	10		DGCFRO
c1c2c(cc3c1[C@H]1CC[N@@H+]4CCC[C@@]56CC[C@@]1([C@@H]45)N3CC6)OCO2	ZINC000004716568	181141738	/nfs/dbraw/zinc/14/17/38/181141738.db2.gz	FPOYZIKPNXUUMK-QRKUABHPSA-N	1	0	324.424	3.110	1	10		DGCFRO
C[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1	ZINC000026396282	283171512	/nfs/dbraw/zinc/17/15/12/283171512.db2.gz	IRCCNHZTYVNMQW-CQSZACIVSA-N	1	0	319.788	3.077	1	10		DGCFRO
Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCc3ccccc3C2)C1	ZINC000022926117	182341477	/nfs/dbraw/zinc/34/14/77/182341477.db2.gz	FNHBKSGFXNXDLJ-FQEVSTJZSA-N	1	0	322.452	3.415	3	10		DGCFRO
Oc1cc2c(cc1O)[C@@H]1c3cc(Cl)sc3C[NH2+][C@H]1CC2	ZINC000013762040	181891267	/nfs/dbraw/zinc/89/12/67/181891267.db2.gz	LBAJYRVVNVZIJA-ZUZCIYMTSA-N	1	0	307.802	3.363	1	10		DGCFRO
CCN1C(=O)CS/C1=C/c1sc2ccccc2[n+]1CC	ZINC000038146418	182994031	/nfs/dbraw/zinc/99/40/31/182994031.db2.gz	NECXKGGCXBOPEN-UHFFFAOYSA-N	1	0	305.448	3.102	1	10		DGCFRO
CCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1[NH2+]C2	ZINC000003808893	181045785	/nfs/dbraw/zinc/04/57/85/181045785.db2.gz	LBZXCIYZKGQQCJ-BBRMVZONSA-N	1	0	301.411	3.272	1	10		DGCFRO
COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[N+]1(C)C=C2)OCO4	ZINC000238748332	717162147	/nfs/dbraw/zinc/16/21/47/717162147.db2.gz	HQLPILLIZJERAI-OOJLDXBWSA-O	1	0	324.356	3.348	1	10		DGCFRO
Oc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2C[NH2+]C1CC1	ZINC000013823834	181902501	/nfs/dbraw/zinc/90/25/01/181902501.db2.gz	JMLFTEUVKWTNSN-ROUUACIJSA-N	1	0	317.429	3.413	1	10		DGCFRO