smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)cs1	ZINC000217147889	358982182	/nfs/dbraw/zinc/98/21/82/358982182.db2.gz	KCLNBSYDXXCLQR-ZETCQYMHSA-N	0	2	280.353	1.603	50	70		CDIALN
CCSc1ccc(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)s1	ZINC000217699495	359020016	/nfs/dbraw/zinc/02/00/16/359020016.db2.gz	VZCZMBXXUJLWLM-LURJTMIESA-N	0	2	298.393	1.763	50	70		CDIALN
CCSc1ccc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)s1	ZINC000217699566	359020575	/nfs/dbraw/zinc/02/05/75/359020575.db2.gz	VZCZMBXXUJLWLM-ZCFIWIBFSA-N	0	2	298.393	1.763	50	70		CDIALN
Cc1ccccc1SCC(=O)N[C@@H](C)c1n[nH]c(=O)[nH]1	ZINC000217123342	358981184	/nfs/dbraw/zinc/98/11/84/358981184.db2.gz	VIDXYJPYHDZDFF-VIFPVBQESA-N	0	2	292.364	1.376	50	70		CDIALN
C[C@H](C(=O)N(C)C)[N@H+](C)Cc1cc(C[NH+](C)C)cs1	ZINC000218633733	359060079	/nfs/dbraw/zinc/06/00/79/359060079.db2.gz	QLMDYGYREHIRFR-LLVKDONJSA-N	0	2	283.441	1.718	50	70		CDIALN
C[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[nH]1	ZINC000216963926	358972669	/nfs/dbraw/zinc/97/26/69/358972669.db2.gz	ZOIDALHEQDUAIJ-YFKPBYRVSA-N	0	2	284.678	1.382	50	70		CDIALN
C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1n[nH]c(=O)[nH]1	ZINC000217441786	359003457	/nfs/dbraw/zinc/00/34/57/359003457.db2.gz	PEYCUZLOLSDPPN-SSDOTTSWSA-N	0	2	292.364	1.529	50	70		CDIALN
Cc1ccccc1SCC(=O)N[C@H](C)c1n[nH]c(=O)[nH]1	ZINC000217123353	358981104	/nfs/dbraw/zinc/98/11/04/358981104.db2.gz	VIDXYJPYHDZDFF-SECBINFHSA-N	0	2	292.364	1.376	50	70		CDIALN
C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[nH]1	ZINC000216914516	533043953	/nfs/dbraw/zinc/04/39/53/533043953.db2.gz	PJYHDXAHEKLWJD-MRVPVSSYSA-N	0	2	290.298	1.146	50	70		CDIALN
CCCc1cc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)cs1	ZINC000217147900	189708378	/nfs/dbraw/zinc/70/83/78/189708378.db2.gz	KCLNBSYDXXCLQR-SSDOTTSWSA-N	0	2	280.353	1.603	50	70		CDIALN
C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1cc(C[NH+](C)C)cs1	ZINC000218633645	359060213	/nfs/dbraw/zinc/06/02/13/359060213.db2.gz	QLMDYGYREHIRFR-NSHDSACASA-N	0	2	283.441	1.718	50	70		CDIALN
C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[nH]1	ZINC000216914546	230396678	/nfs/dbraw/zinc/39/66/78/230396678.db2.gz	PJYHDXAHEKLWJD-QMMMGPOBSA-N	0	2	290.298	1.146	50	70		CDIALN
C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[nH]1	ZINC000216963911	358972174	/nfs/dbraw/zinc/97/21/74/358972174.db2.gz	ZOIDALHEQDUAIJ-RXMQYKEDSA-N	0	2	284.678	1.382	50	70		CDIALN
C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1n[nH]c(=O)[nH]1	ZINC000217441865	359003360	/nfs/dbraw/zinc/00/33/60/359003360.db2.gz	PEYCUZLOLSDPPN-ZETCQYMHSA-N	0	2	292.364	1.529	50	70		CDIALN