smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cnn1C(C)(C)C	ZINC000051534177	568066126	/nfs/dbraw/zinc/06/61/26/568066126.db2.gz	PITIMKCUZZNLER-OAHLLOKOSA-N	0	2	364.474	4.560	20	30		FJEDLN
CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1	ZINC000051656396	568139800	/nfs/dbraw/zinc/13/98/00/568139800.db2.gz	QCEFBSPCLJXFHG-NSHDSACASA-N	0	2	374.416	4.639	20	30		FJEDLN
CCCc1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)s1	ZINC000051656396	568139801	/nfs/dbraw/zinc/13/98/01/568139801.db2.gz	QCEFBSPCLJXFHG-NSHDSACASA-N	0	2	374.416	4.639	20	30		FJEDLN
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533481	568066090	/nfs/dbraw/zinc/06/60/90/568066090.db2.gz	PWZCSAUMBGNPKU-MRXNPFEDSA-N	0	2	357.438	4.792	20	30		FJEDLN
O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Cl)cc1F	ZINC000097334950	222175946	/nfs/dbraw/zinc/17/59/46/222175946.db2.gz	AJYNRHSMEOEYTQ-UHFFFAOYSA-N	0	2	351.168	4.554	20	30		FJEDLN
Cc1c(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cnn1C(C)(C)C	ZINC000051534178	568066141	/nfs/dbraw/zinc/06/61/41/568066141.db2.gz	PITIMKCUZZNLER-HNNXBMFYSA-N	0	2	364.474	4.560	20	30		FJEDLN
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533482	568066107	/nfs/dbraw/zinc/06/61/07/568066107.db2.gz	PWZCSAUMBGNPKU-INIZCTEOSA-N	0	2	357.438	4.792	20	30		FJEDLN
CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	ZINC000436642798	568192226	/nfs/dbraw/zinc/19/22/26/568192226.db2.gz	CBUZFQSVSNUWTL-UHFFFAOYSA-N	0	2	370.408	4.776	20	30		FJEDLN
N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2o1	ZINC000606144939	568670158	/nfs/dbraw/zinc/67/01/58/568670158.db2.gz	FUBHOFRCTDMWGB-CQSZACIVSA-N	0	2	361.382	4.567	20	30		FJEDLN
N#C[C@@H](C(=O)c1cc2occc2s1)c1nc(-c2ccncc2)cs1	ZINC000606145723	568670642	/nfs/dbraw/zinc/67/06/42/568670642.db2.gz	JRTZDSCVHUTIPN-NSHDSACASA-N	0	2	351.412	4.503	20	30		FJEDLN
N#CC(C(=O)c1cc2occc2s1)c1nc(-c2ccncc2)cs1	ZINC000606145723	568670643	/nfs/dbraw/zinc/67/06/43/568670643.db2.gz	JRTZDSCVHUTIPN-NSHDSACASA-N	0	2	351.412	4.503	20	30		FJEDLN
Cc1csc(C(C#N)C(=O)c2csc(-c3ccc(Cl)cc3)n2)n1	ZINC000041518148	205091096	/nfs/dbraw/zinc/09/10/96/205091096.db2.gz	MLGGXKWXOZUCRN-LBPRGKRZSA-N	0	2	359.863	4.719	20	30		FJEDLN
Cc1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)n2)n1	ZINC000041518148	205091098	/nfs/dbraw/zinc/09/10/98/205091098.db2.gz	MLGGXKWXOZUCRN-LBPRGKRZSA-N	0	2	359.863	4.719	20	30		FJEDLN
N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2o1	ZINC000606144905	568670200	/nfs/dbraw/zinc/67/02/00/568670200.db2.gz	FUBHOFRCTDMWGB-AWEZNQCLSA-N	0	2	361.382	4.567	20	30		FJEDLN
Cc1c2cccc(C)c2oc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000066005057	568064307	/nfs/dbraw/zinc/06/43/07/568064307.db2.gz	PBEPHWIAZCWYSC-AWEZNQCLSA-N	0	2	358.319	4.954	20	30		FJEDLN
CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1	ZINC000051656395	568139766	/nfs/dbraw/zinc/13/97/66/568139766.db2.gz	QCEFBSPCLJXFHG-LLVKDONJSA-N	0	2	374.416	4.639	20	30		FJEDLN
CCCc1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)s1	ZINC000051656395	568139767	/nfs/dbraw/zinc/13/97/67/568139767.db2.gz	QCEFBSPCLJXFHG-LLVKDONJSA-N	0	2	374.416	4.639	20	30		FJEDLN
N#C[C@H](C(=O)c1cc2occc2s1)c1nc(-c2ccncc2)cs1	ZINC000606145720	568670602	/nfs/dbraw/zinc/67/06/02/568670602.db2.gz	JRTZDSCVHUTIPN-LLVKDONJSA-N	0	2	351.412	4.503	20	30		FJEDLN
N#CC(C(=O)c1cc2occc2s1)c1nc(-c2ccncc2)cs1	ZINC000606145720	568670604	/nfs/dbraw/zinc/67/06/04/568670604.db2.gz	JRTZDSCVHUTIPN-LLVKDONJSA-N	0	2	351.412	4.503	20	30		FJEDLN
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	ZINC000066544705	568064822	/nfs/dbraw/zinc/06/48/22/568064822.db2.gz	DJBVDTDOFOOUCY-MRXNPFEDSA-N	0	2	363.467	4.850	20	30		FJEDLN
Cc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	ZINC000066544705	568064823	/nfs/dbraw/zinc/06/48/23/568064823.db2.gz	DJBVDTDOFOOUCY-MRXNPFEDSA-N	0	2	363.467	4.850	20	30		FJEDLN
Cc1csc([C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)n1	ZINC000041521575	208285128	/nfs/dbraw/zinc/28/51/28/208285128.db2.gz	CVRPOBKDXFMVKF-HNNXBMFYSA-N	0	2	350.468	4.769	20	30		FJEDLN
Cc1csc(C(C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)n1	ZINC000041521575	208285135	/nfs/dbraw/zinc/28/51/35/208285135.db2.gz	CVRPOBKDXFMVKF-HNNXBMFYSA-N	0	2	350.468	4.769	20	30		FJEDLN
N#Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccccc3)cc(Cl)c1O)CC2	ZINC000436713606	568396080	/nfs/dbraw/zinc/39/60/80/568396080.db2.gz	JTUFJAIWRVLEIA-UHFFFAOYSA-N	0	2	374.827	4.787	20	30		FJEDLN