smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(NC2=[NH+]C3(CCCCC3)Cc3ccccc32)cc1	ZINC000001024424	570323849	/nfs/dbraw/zinc/32/38/49/570323849.db2.gz	UJZIEXWRXYSZES-UHFFFAOYSA-N	1	1	290.410	4.614	50	30		CJEAMO
C[N@@H+](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc21	ZINC000001530981	566899571	/nfs/dbraw/zinc/89/95/71/566899571.db2.gz	DOMXUEMWDBAQBQ-WEVVVXLNSA-N	1	1	291.438	4.877	50	30	fda	CJEAMO
CCCCCCCCCCCc1[nH+]ccn1CCC#N	ZINC000002508143	528125489	/nfs/dbraw/zinc/12/54/89/528125489.db2.gz	SZUPZARBRLCVCB-UHFFFAOYSA-N	1	1	275.440	4.870	50	30		CJEAMO
CCCCCCCCn1c[nH+]c2c1cc(C)c(C)c2N	ZINC000002559842	567929328	/nfs/dbraw/zinc/92/93/28/567929328.db2.gz	WRFSDGVWYLMDCA-UHFFFAOYSA-N	1	1	273.424	4.596	50	30		CJEAMO
CC[NH+]=C(Nc1ccc(C(C)(C)C)cc1)SCC1CC1	ZINC000003120503	521731673	/nfs/dbraw/zinc/73/16/73/521731673.db2.gz	INMNVMHJDROYNL-UHFFFAOYSA-N	1	1	290.476	4.724	50	30		CJEAMO
C[N@@H+](C/C=C\C#CC(C)(C)C)Cc1cccc2ccccc21	ZINC000004467397	566890096	/nfs/dbraw/zinc/89/00/96/566890096.db2.gz	DOMXUEMWDBAQBQ-UITAMQMPSA-N	1	1	291.438	4.877	50	30	world	CJEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCCC[C@@H]2c2cccnc2)CC1	ZINC000004982735	567888327	/nfs/dbraw/zinc/88/83/27/567888327.db2.gz	ZUJWWPBMPOZWGP-AZUAARDMSA-N	1	1	296.458	4.911	50	30		CJEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H]2c2cccnc2)CC1	ZINC000004982736	567888345	/nfs/dbraw/zinc/88/83/45/567888345.db2.gz	ZUJWWPBMPOZWGP-UYAOXDASSA-N	1	1	296.458	4.911	50	30		CJEAMO
c1ccc2c(c1)NC(=[NH+]C1CCCC1)C1(CCCCC1)N2	ZINC000032918772	567886383	/nfs/dbraw/zinc/88/63/83/567886383.db2.gz	WKPIPJDMFAYAFR-UHFFFAOYSA-N	1	1	283.419	4.568	50	30		CJEAMO
c1ccc2c(c1)NC(=[NH+]C1CCCC1)C1(CCCCCC1)N2	ZINC000046153027	570407644	/nfs/dbraw/zinc/40/76/44/570407644.db2.gz	WLAMMNNFKVEFNK-UHFFFAOYSA-N	1	1	297.446	4.958	50	30		CJEAMO
C[C@H](/[NH+]=C/c1ccc(Br)cc1)c1ccccc1	ZINC000096178959	570353940	/nfs/dbraw/zinc/35/39/40/570353940.db2.gz	PHNRFDACGLJKJT-OOIIIRTPSA-N	1	1	288.188	4.629	50	30		CJEAMO
C[C@@H](/[NH+]=C/c1ccc(Br)cc1)c1ccccc1	ZINC000096178960	570353930	/nfs/dbraw/zinc/35/39/30/570353930.db2.gz	PHNRFDACGLJKJT-PBSOMRJOSA-N	1	1	288.188	4.629	50	30		CJEAMO
CCCCCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000097966187	528113312	/nfs/dbraw/zinc/11/33/12/528113312.db2.gz	SNZLEGRSQZFEKW-IBGZPJMESA-N	1	1	284.447	4.582	50	30		CJEAMO
CCCCCCCCCCCCOC(=O)[C@H]([NH3+])CC(C)C	ZINC000097972953	528125291	/nfs/dbraw/zinc/12/52/91/528125291.db2.gz	YWJTTXZNSPZHOC-QGZVFWFLSA-N	1	1	299.499	4.824	50	30		CJEAMO
CCCCCCCCCCCCOC(=O)[C@@H]([NH3+])CC(C)C	ZINC000097972954	528125262	/nfs/dbraw/zinc/12/52/62/528125262.db2.gz	YWJTTXZNSPZHOC-KRWDZBQOSA-N	1	1	299.499	4.824	50	30		CJEAMO
CCCCCCC[NH2+][C@@H](CCCCCCC)C(=O)OCC	ZINC000097973043	528134682	/nfs/dbraw/zinc/13/46/82/528134682.db2.gz	TWYLFNNKJXPKML-KRWDZBQOSA-N	1	1	299.499	4.839	50	30		CJEAMO
CCCCCCC[NH2+][C@H](CCCCCCC)C(=O)OCC	ZINC000097973044	528133980	/nfs/dbraw/zinc/13/39/80/528133980.db2.gz	TWYLFNNKJXPKML-QGZVFWFLSA-N	1	1	299.499	4.839	50	30		CJEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1	ZINC000584904353	567860121	/nfs/dbraw/zinc/86/01/21/567860121.db2.gz	ZUJWWPBMPOZWGP-ICSRJNTNSA-N	1	1	296.458	4.911	50	30		CJEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1	ZINC000584904354	567859907	/nfs/dbraw/zinc/85/99/07/567859907.db2.gz	ZUJWWPBMPOZWGP-QUCCMNQESA-N	1	1	296.458	4.911	50	30		CJEAMO