smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NC1CC[NH+](CCC2=c3ccccc3=[NH+]C2)CC1	ZINC000063339348	441326940	/nfs/dbraw/zinc/32/69/40/441326940.db2.gz	CKXCFMFWIZLPKJ-UHFFFAOYSA-N	2	2	343.471	1.850	2	0		EDAFLP
C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1Cc1cccnc1	ZINC000096062022	279144420	/nfs/dbraw/zinc/14/44/20/279144420.db2.gz	CWEMCDFMWIHPDB-MRXNPFEDSA-N	2	2	340.475	1.602	1	0		EDAFLP
C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1Cc1cccnc1	ZINC000096062022	279144421	/nfs/dbraw/zinc/14/44/21/279144421.db2.gz	CWEMCDFMWIHPDB-MRXNPFEDSA-N	2	2	340.475	1.602	1	0		EDAFLP
Cc1cccc(C[N@H+]2CC[C@@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)C[C@@H]32)c1	ZINC000097954345	219064816	/nfs/dbraw/zinc/06/48/16/219064816.db2.gz	MNCOMWGOINJWHR-GBESFXJTSA-N	2	2	343.471	1.501	1	0		EDAFLP
Cc1cccc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)C[C@@H]32)c1	ZINC000097954345	219064818	/nfs/dbraw/zinc/06/48/18/219064818.db2.gz	MNCOMWGOINJWHR-GBESFXJTSA-N	2	2	343.471	1.501	1	0		EDAFLP
C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C[C@H]2O)CC1	ZINC000019842412	212075661	/nfs/dbraw/zinc/07/56/61/212075661.db2.gz	ATCIVVNMMPZRFF-WOJBJXKFSA-N	2	2	340.471	1.417	1	0		EDAFLP
C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C[C@H]2O)CC1	ZINC000019842412	212075663	/nfs/dbraw/zinc/07/56/63/212075663.db2.gz	ATCIVVNMMPZRFF-WOJBJXKFSA-N	2	2	340.471	1.417	1	0		EDAFLP
O=c1[nH]c2cc(C[NH2+]CCC[NH+]3CCOCC3)ccc2n2cccc12	ZINC000042923664	581101289	/nfs/dbraw/zinc/10/12/89/581101289.db2.gz	SGHVUJRJNUMGJF-UHFFFAOYSA-N	2	2	340.427	1.593	1	0		EDAFLP
Cc1ccc2nc3c(O)n(CC(=O)N4CC[NH+](C)CC4)[nH+]cc-3c2c1	ZINC000101799627	219165300	/nfs/dbraw/zinc/16/53/00/219165300.db2.gz	MBIROMZVHLYJTL-UHFFFAOYSA-N	2	2	339.399	1.324	1	0		EDAFLP
c1cc2nc3c(c(N4CC(Oc5cc[nH+]cc5)C4)n2n1)CC[NH2+]CC3	ZINC000066099588	215010287	/nfs/dbraw/zinc/01/02/87/215010287.db2.gz	GIFSZBKVFDQIIZ-UHFFFAOYSA-N	2	2	336.399	1.080	1	0		EDAFLP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](N3CCCC3=O)C[N@@H+]1CC2	ZINC000169310928	533172252	/nfs/dbraw/zinc/17/22/52/533172252.db2.gz	INWWWTILZXHHJN-PMPSAXMXSA-N	2	2	345.443	1.325	1	0		EDAFLP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](N3CCCC3=O)C[N@H+]1CC2	ZINC000169310928	533172255	/nfs/dbraw/zinc/17/22/55/533172255.db2.gz	INWWWTILZXHHJN-PMPSAXMXSA-N	2	2	345.443	1.325	1	0		EDAFLP
COc1cc2[nH+]c(N3CCC[N@H+](C)CC3)nc(N(C)C)c2cc1OC	ZINC000036382570	213092632	/nfs/dbraw/zinc/09/26/32/213092632.db2.gz	JPJDYYCRPIDQJG-UHFFFAOYSA-N	2	2	345.447	1.855	1	0		EDAFLP
COc1cc2[nH+]c(N3CCC[N@@H+](C)CC3)nc(N(C)C)c2cc1OC	ZINC000036382570	213092635	/nfs/dbraw/zinc/09/26/35/213092635.db2.gz	JPJDYYCRPIDQJG-UHFFFAOYSA-N	2	2	345.447	1.855	1	0		EDAFLP
COc1ccc(-c2nn([C@@H]3CC[NH2+]C3)c3nc[nH+]c(N)c23)cc1O	ZINC000008581965	210968950	/nfs/dbraw/zinc/96/89/50/210968950.db2.gz	BJNPYRHGWJVECX-SNVBAGLBSA-N	2	2	326.360	1.324	1	0		EDAFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCCc1cccc(C(F)(F)F)c1	ZINC000027317049	202153855	/nfs/dbraw/zinc/15/38/55/202153855.db2.gz	YAEPQGURYNGWTM-UHFFFAOYSA-N	2	2	329.326	1.861	1	0		EDAFLP
CNc1nc(N2CCC[N@H+](C)CC2)[nH+]c2cc(OC)c(OC)cc21	ZINC000036382568	213092592	/nfs/dbraw/zinc/09/25/92/213092592.db2.gz	KJPNNTJWJVCDHI-UHFFFAOYSA-N	2	2	331.420	1.831	1	0		EDAFLP
CNc1nc(N2CCC[N@@H+](C)CC2)[nH+]c2cc(OC)c(OC)cc21	ZINC000036382568	213092596	/nfs/dbraw/zinc/09/25/96/213092596.db2.gz	KJPNNTJWJVCDHI-UHFFFAOYSA-N	2	2	331.420	1.831	1	0		EDAFLP