smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000004375805	207016528	/nfs/dbraw/zinc/01/65/28/207016528.db2.gz	BIMIEBMZQZLFKK-RBMKEPMWSA-N	1	1	350.506	5.831	10	30		FKEEMO
CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)cc1	ZINC000004867322	521372991	/nfs/dbraw/zinc/37/29/91/521372991.db2.gz	LYUXFPSWKUHLAI-LFVJCYFKSA-N	1	1	363.892	5.813	10	30		FKEEMO
CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]2c1ccccc1	ZINC000021337825	211313678	/nfs/dbraw/zinc/31/36/78/211313678.db2.gz	FHZDYXVFJXNJBG-HSZRJFAPSA-N	1	1	372.537	5.638	10	30		FKEEMO
CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]2c1ccccc1	ZINC000021337827	220357094	/nfs/dbraw/zinc/35/70/94/220357094.db2.gz	FHZDYXVFJXNJBG-QHCPKHFHSA-N	1	1	372.537	5.638	10	30		FKEEMO
CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1C#N)[C@@H]2c1ccccc1	ZINC000021337829	220357185	/nfs/dbraw/zinc/35/71/85/220357185.db2.gz	FWFWIJJQHYXQSP-HSZRJFAPSA-N	1	1	372.537	5.638	10	30		FKEEMO
CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1C#N)[C@H]2c1ccccc1	ZINC000021337831	220357213	/nfs/dbraw/zinc/35/72/13/220357213.db2.gz	FWFWIJJQHYXQSP-QHCPKHFHSA-N	1	1	372.537	5.638	10	30		FKEEMO
CCN(CC)C(=S)SC/C(Nc1ccccc1)=[NH+]\c1ccccc1	ZINC000040514466	205072049	/nfs/dbraw/zinc/07/20/49/205072049.db2.gz	GHKBYUPKUSXNKN-UHFFFAOYSA-N	1	1	357.548	5.189	10	30		FKEEMO
CCCCOc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)cc1OC	ZINC000041127753	520854245	/nfs/dbraw/zinc/85/42/45/520854245.db2.gz	MYLLQAIDJZGISO-HZHRSRAPSA-N	1	1	363.461	5.177	10	30		FKEEMO
Cc1cc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc2[nH+]1	ZINC000041127767	525043347	/nfs/dbraw/zinc/04/33/47/525043347.db2.gz	WLEOLTGMIWFRPA-LPYMAVHISA-N	1	1	372.384	5.157	10	30		FKEEMO
CN(C)/C(=[NH+]/c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1	ZINC000100221054	222239928	/nfs/dbraw/zinc/23/99/28/222239928.db2.gz	GTAUKKIKEBBHQM-HYARGMPZSA-N	1	1	362.182	5.047	10	30		FKEEMO
CCCCCCCCCCCCCCCCCC(=O)N1CC[NH+](C)CC1	ZINC000100360708	519989968	/nfs/dbraw/zinc/98/99/68/519989968.db2.gz	BOQIMZOMIHDXGR-UHFFFAOYSA-N	1	1	366.634	6.022	10	30		FKEEMO
CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000100398602	209213871	/nfs/dbraw/zinc/21/38/71/209213871.db2.gz	BIMIEBMZQZLFKK-PILQTQQDSA-N	1	1	350.506	5.831	10	30		FKEEMO
CCCCCCCCCO[C@@]1(C#N)C=CC(/[NH+]=C\c2ccccc2)=CC1	ZINC000103733113	222341934	/nfs/dbraw/zinc/34/19/34/222341934.db2.gz	ZRHBLMXVYRJGOD-CZSUQGFZSA-N	1	1	350.506	5.979	10	30		FKEEMO
CCCCCCCCCO[C@@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1	ZINC000103733116	209255626	/nfs/dbraw/zinc/25/56/26/209255626.db2.gz	ZRHBLMXVYRJGOD-PNCDLBDQSA-N	1	1	350.506	5.979	10	30		FKEEMO
CCCCCCCCCO[C@]1(C#N)C=CC(/[NH+]=C\c2ccccc2)=CC1	ZINC000103733120	222341964	/nfs/dbraw/zinc/34/19/64/222341964.db2.gz	ZRHBLMXVYRJGOD-VPQXQWKXSA-N	1	1	350.506	5.979	10	30		FKEEMO
CCCCCCCCCO[C@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1	ZINC000103733125	209255212	/nfs/dbraw/zinc/25/52/12/209255212.db2.gz	ZRHBLMXVYRJGOD-ABRDEJFMSA-N	1	1	350.506	5.979	10	30		FKEEMO
CCCCC[C@H]1/C(=N\O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000105211371	222366457	/nfs/dbraw/zinc/36/64/57/222366457.db2.gz	BIMIEBMZQZLFKK-XRJSOMBGSA-N	1	1	350.506	5.831	10	30		FKEEMO