smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H]1[C@H](NC(=O)c2cccc(F)c2[O-])[C@@H]2CCO[C@H]12	ZINC000218680817	359062326	/nfs/dbraw/zinc/06/23/26/359062326.db2.gz	BFJZIRODRUYSED-PFEFGLNJSA-N	-1	0	295.310	1.311	50	70		CDIARM
CCCc1cc(C(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)cs1	ZINC000217147889	358982180	/nfs/dbraw/zinc/98/21/80/358982180.db2.gz	KCLNBSYDXXCLQR-ZETCQYMHSA-N	-1	0	280.353	1.603	50	70		CDIARM
CCc1nccn1CCNC(=O)c1ccc(F)cc1[O-]	ZINC000218334219	359050073	/nfs/dbraw/zinc/05/00/73/359050073.db2.gz	CDMOAVKWLAZKJD-UHFFFAOYSA-N	-1	0	277.299	1.720	50	70		CDIARM
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)C1=Cc2ccccc2OC1	ZINC000218349586	359050863	/nfs/dbraw/zinc/05/08/63/359050863.db2.gz	BDXUHPBEAAKQFY-LBPRGKRZSA-N	-1	0	299.330	1.446	50	70		CDIARM
CCSc1ccc(C(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)s1	ZINC000217699495	359020007	/nfs/dbraw/zinc/02/00/07/359020007.db2.gz	VZCZMBXXUJLWLM-LURJTMIESA-N	-1	0	298.393	1.763	50	70		CDIARM
CCSc1ccc(C(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)s1	ZINC000217699566	359020568	/nfs/dbraw/zinc/02/05/68/359020568.db2.gz	VZCZMBXXUJLWLM-ZCFIWIBFSA-N	-1	0	298.393	1.763	50	70		CDIARM
O=C(c1ccncc1[O-])N1CCC[C@H](Cn2ccnc2)C1	ZINC000218671609	359061052	/nfs/dbraw/zinc/06/10/52/359061052.db2.gz	UJBDTPKAHPDGJW-GFCCVEGCSA-N	-1	0	286.335	1.536	50	70		CDIARM
Cc1ccccc1SCC(=O)N[C@@H](C)c1n[nH]c(=O)[n-]1	ZINC000217123342	358981180	/nfs/dbraw/zinc/98/11/80/358981180.db2.gz	VIDXYJPYHDZDFF-VIFPVBQESA-N	-1	0	292.364	1.376	50	70		CDIARM
C[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[n-]1	ZINC000216963926	358972662	/nfs/dbraw/zinc/97/26/62/358972662.db2.gz	ZOIDALHEQDUAIJ-YFKPBYRVSA-N	-1	0	284.678	1.382	50	70		CDIARM
CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3n[nH]nc3c1)C2	ZINC000217745854	359024590	/nfs/dbraw/zinc/02/45/90/359024590.db2.gz	BVKDETLHMQJUAU-YABSGUDNSA-N	-1	0	286.335	1.455	50	70		CDIARM
C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1n[nH]c(=O)[n-]1	ZINC000217441786	359003455	/nfs/dbraw/zinc/00/34/55/359003455.db2.gz	PEYCUZLOLSDPPN-SSDOTTSWSA-N	-1	0	292.364	1.529	50	70		CDIARM
Cc1ccc(O)c(CN2CCCn3nc(CO)cc3C2)n1	ZINC000216979658	358972429	/nfs/dbraw/zinc/97/24/29/358972429.db2.gz	FYCMGKGSVRNQAG-UHFFFAOYSA-N	-1	0	288.351	1.190	50	70		CDIARM
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)C1=Cc2ccccc2OC1	ZINC000218349505	359051338	/nfs/dbraw/zinc/05/13/38/359051338.db2.gz	BDXUHPBEAAKQFY-GFCCVEGCSA-N	-1	0	299.330	1.446	50	70		CDIARM
Cc1ccccc1SCC(=O)N[C@H](C)c1n[nH]c(=O)[n-]1	ZINC000217123353	358981098	/nfs/dbraw/zinc/98/10/98/358981098.db2.gz	VIDXYJPYHDZDFF-SECBINFHSA-N	-1	0	292.364	1.376	50	70		CDIARM
C[C@@H](NC(=O)c1cccc(F)c1[O-])c1nncn1C	ZINC000218245983	359047656	/nfs/dbraw/zinc/04/76/56/359047656.db2.gz	SBTMTQYVUWOSFZ-SSDOTTSWSA-N	-1	0	264.260	1.151	50	70		CDIARM
C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[n-]1	ZINC000216914516	533043940	/nfs/dbraw/zinc/04/39/40/533043940.db2.gz	PJYHDXAHEKLWJD-MRVPVSSYSA-N	-1	0	290.298	1.146	50	70		CDIARM
C[C@H](NC(=O)c1cccc(F)c1[O-])c1nncn1C	ZINC000218246039	359047332	/nfs/dbraw/zinc/04/73/32/359047332.db2.gz	SBTMTQYVUWOSFZ-ZETCQYMHSA-N	-1	0	264.260	1.151	50	70		CDIARM
CCCc1cc(C(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)cs1	ZINC000217147900	189708377	/nfs/dbraw/zinc/70/83/77/189708377.db2.gz	KCLNBSYDXXCLQR-SSDOTTSWSA-N	-1	0	280.353	1.603	50	70		CDIARM
C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[n-]1	ZINC000216914546	230396677	/nfs/dbraw/zinc/39/66/77/230396677.db2.gz	PJYHDXAHEKLWJD-QMMMGPOBSA-N	-1	0	290.298	1.146	50	70		CDIARM
C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[n-]1	ZINC000216963911	358972171	/nfs/dbraw/zinc/97/21/71/358972171.db2.gz	ZOIDALHEQDUAIJ-RXMQYKEDSA-N	-1	0	284.678	1.382	50	70		CDIARM
O=C(c1ccncc1[O-])N1CCC[C@@H](Cn2ccnc2)C1	ZINC000218671530	359061438	/nfs/dbraw/zinc/06/14/38/359061438.db2.gz	UJBDTPKAHPDGJW-LBPRGKRZSA-N	-1	0	286.335	1.536	50	70		CDIARM
C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1n[nH]c(=O)[n-]1	ZINC000217441865	359003354	/nfs/dbraw/zinc/00/33/54/359003354.db2.gz	PEYCUZLOLSDPPN-ZETCQYMHSA-N	-1	0	292.364	1.529	50	70		CDIARM