smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](C)C=C1C(=O)[N-]C(=S)NC1=O	ZINC000005560761	169354580	/nfs/dbraw/zinc/35/45/80/169354580.db2.gz	NABGTMGUXZHIMT-ZCFIWIBFSA-N	-1	1	226.301	0.880	40	10		BCCBMM
O=C([O-])c1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000004416411	527560069	/nfs/dbraw/zinc/56/00/69/527560069.db2.gz	KAUQEIRKYADRME-UHFFFAOYSA-N	-1	1	249.182	0.772	40	10		BCCBMM
CCC[C@H](C)C=C1C(=O)[N-]C(=S)NC1=O	ZINC000006274325	384148292	/nfs/dbraw/zinc/14/82/92/384148292.db2.gz	NABGTMGUXZHIMT-LURJTMIESA-N	-1	1	226.301	0.880	40	10		BCCBMM
CCOC(=O)[C@](C)(N=Nc1nn[n-]n1)C(C)=O	ZINC000104167731	170282667	/nfs/dbraw/zinc/28/26/67/170282667.db2.gz	KFBAKZZREFWIPD-WLDSJTMESA-N	-1	1	240.223	0.194	40	10		BCCBMM
CC=C(C)C=C1C(=O)[N-]C(=S)NC1=O	ZINC000006292994	190976635	/nfs/dbraw/zinc/97/66/35/190976635.db2.gz	JMFSIRIIEDCXIK-HYXAFXHYSA-N	-1	1	210.258	0.410	40	10		BCCBMM
CCCCC=C1C(=O)[N-]C(=S)NC1=O	ZINC000005523498	168632606	/nfs/dbraw/zinc/63/26/06/168632606.db2.gz	DTNLDDASTAMTFL-UHFFFAOYSA-N	-1	1	212.274	0.634	40	10		BCCBMM
O=C1[N-]C(=S)SC1=Cc1c[nH]nn1	ZINC000008627627	491087209	/nfs/dbraw/zinc/08/72/09/491087209.db2.gz	SBSHSBXHBJYVHR-DAFODLJHSA-N	-1	1	212.259	0.294	40	10		BCCBMM
CN1C(=O)/C(=C/c2ccccc2)C(=O)[N-]C1=S	ZINC000408913173	346343281	/nfs/dbraw/zinc/34/32/81/346343281.db2.gz	SZPNYWUMBOXQHP-VQHVLOKHSA-N	-1	1	246.291	0.943	40	10		BCCBMM
Cn1cccc1C=C1NC(=S)[N-]C1=O	ZINC000033480096	350453544	/nfs/dbraw/zinc/45/35/44/350453544.db2.gz	YJRCBLWBMXVSAH-FNORWQNLSA-N	-1	1	207.258	0.782	40	10		BCCBMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1C	ZINC000408771604	385271710	/nfs/dbraw/zinc/27/17/10/385271710.db2.gz	ICYMZFIGOHOTBV-WEVVVXLNSA-N	-1	1	235.312	0.987	40	10		BCCBMM
Cn1cccc1/C=C1\C(=O)[N-]C(=S)N(C)C1=O	ZINC000000545859	346418140	/nfs/dbraw/zinc/41/81/40/346418140.db2.gz	LVRDAPHQBXCBSJ-SOFGYWHQSA-N	-1	1	249.295	0.282	40	10		BCCBMM
Nc1ccc(OCc2nc(N)cc(=O)[n-]2)cc1	ZINC000082546369	384690441	/nfs/dbraw/zinc/69/04/41/384690441.db2.gz	ZNLPWVQFEOOLQA-UHFFFAOYSA-N	-1	1	232.243	0.513	40	10		BCCBMM
NC(=O)c1c([O-])[nH]c(=O)cc1C(F)(F)F	ZINC000604221798	371962101	/nfs/dbraw/zinc/96/21/01/371962101.db2.gz	KDSMEIPKCBRYMJ-UHFFFAOYSA-N	-1	1	222.122	0.611	40	10		BCCBMM
O=c1[nH]cnc2[n-]c(N=NSCCO)nc21	ZINC000001678768	183011812	/nfs/dbraw/zinc/01/18/12/183011812.db2.gz	RLGCLJCDVRKKQA-OUKQBFOZSA-N	-1	1	240.248	0.370	40	10		BCCBMM
O=C1[N-]C(=S)SC1=Cc1c[nH]nn1	ZINC000004879420	342753916	/nfs/dbraw/zinc/75/39/16/342753916.db2.gz	SBSHSBXHBJYVHR-RJRFIUFISA-N	-1	1	212.259	0.294	40	10		BCCBMM
COC(=O)c1[n-]cnc1N=NN(C)CCO	ZINC000018141956	384500589	/nfs/dbraw/zinc/50/05/89/384500589.db2.gz	NJOLHMNSGBBZOV-VAWYXSNFSA-N	-1	1	227.224	0.119	40	10		BCCBMM
COC(=O)c1[n-]cnc1N=NN(C)CCO	ZINC000104073809	384797159	/nfs/dbraw/zinc/79/71/59/384797159.db2.gz	NJOLHMNSGBBZOV-QXMHVHEDSA-N	-1	1	227.224	0.119	40	10		BCCBMM
CCOC(=O)[C@@](C)(N=Nc1nn[n-]n1)C(C)=O	ZINC000104167734	170260443	/nfs/dbraw/zinc/26/04/43/170260443.db2.gz	KFBAKZZREFWIPD-ILETWAPCSA-N	-1	1	240.223	0.194	40	10		BCCBMM
CCOC(=O)[C@](C)(N=Nc1nn[n-]n1)C(C)=O	ZINC000104167726	170283201	/nfs/dbraw/zinc/28/32/01/170283201.db2.gz	KFBAKZZREFWIPD-BNAPCTMISA-N	-1	1	240.223	0.194	40	10		BCCBMM
O=c1[nH]cnc2[n-]c(N=NSCCO)nc21	ZINC000104368871	183088339	/nfs/dbraw/zinc/08/83/39/183088339.db2.gz	RLGCLJCDVRKKQA-SEYXRHQNSA-N	-1	1	240.248	0.783	40	10		BCCBMM
CCOC(=O)[C@@](C)(N=Nc1nn[n-]n1)C(C)=O	ZINC000104167738	170260562	/nfs/dbraw/zinc/26/05/62/170260562.db2.gz	KFBAKZZREFWIPD-IJTFOSHNSA-N	-1	1	240.223	0.194	40	10		BCCBMM
O=C1[N-]C(=S)NC(=O)C1=CCc1ccccc1	ZINC000001621518	383912096	/nfs/dbraw/zinc/91/20/96/383912096.db2.gz	GLWLZEUPNHOULJ-UHFFFAOYSA-N	-1	1	246.291	0.686	40	10		BCCBMM
CCOC=C1C(=O)[N-]C(=S)NC1=O	ZINC000003311691	170179544	/nfs/dbraw/zinc/17/95/44/170179544.db2.gz	BBNTXXSMRFAIGK-UHFFFAOYSA-N	-1	1	200.219	0.278	40	10		BCCBMM
CCO/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000003311691	170179545	/nfs/dbraw/zinc/17/95/45/170179545.db2.gz	BBNTXXSMRFAIGK-UHFFFAOYSA-N	-1	1	200.219	0.278	40	10		BCCBMM
CCO/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000003311691	170179546	/nfs/dbraw/zinc/17/95/46/170179546.db2.gz	BBNTXXSMRFAIGK-UHFFFAOYSA-N	-1	1	200.219	0.278	40	10		BCCBMM
CC=C(C)C=C1C(=O)[N-]C(=S)NC1=O	ZINC000001574998	190971261	/nfs/dbraw/zinc/97/12/61/190971261.db2.gz	JMFSIRIIEDCXIK-HWKANZROSA-N	-1	1	210.258	0.410	40	10		BCCBMM