smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ncc(C(=O)N3CCn4nc([C@@H](C)O)cc4C3)c(=O)n2[n-]1	ZINC000217893352	241281716	/nfs/dbraw/zinc/28/17/16/241281716.db2.gz	GPWRRCUVNZGCQL-SNVBAGLBSA-N	-1	0	342.359	0.237	50	70		ECIARM
C[C@@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[n-]1	ZINC000218432893	241321898	/nfs/dbraw/zinc/32/18/98/241321898.db2.gz	UBCNEECBEQNXMA-SECBINFHSA-N	-1	0	343.347	0.743	50	70		ECIARM
C[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[n-]1	ZINC000218432967	241322300	/nfs/dbraw/zinc/32/23/00/241322300.db2.gz	UBCNEECBEQNXMA-VIFPVBQESA-N	-1	0	343.347	0.743	50	70		ECIARM
Cc1cc2ncc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c(=O)n2[n-]1	ZINC000217893446	241280733	/nfs/dbraw/zinc/28/07/33/241280733.db2.gz	GPWRRCUVNZGCQL-JTQLQIEISA-N	-1	0	342.359	0.237	50	70		ECIARM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[n-]c(C)nn2c1=O	ZINC000218445566	535651673	/nfs/dbraw/zinc/65/16/73/535651673.db2.gz	NDTDVZZLUCNOCY-NOZJJQNGSA-N	-1	0	335.408	0.490	50	70		ECIARM
CC(C)c1noc([C@H]2CCCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)n1	ZINC000218461122	241324542	/nfs/dbraw/zinc/32/45/42/241324542.db2.gz	JDCGMOVVLPFPME-JTQLQIEISA-N	-1	0	347.375	0.518	50	70		ECIARM
CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000216917925	241222830	/nfs/dbraw/zinc/22/28/30/241222830.db2.gz	SCHBJQWMDVTHDZ-UHFFFAOYSA-N	-1	0	334.401	0.600	50	70		ECIARM
CC(C)Cc1cc(C(=O)NCCc2nc([O-])cc(=O)[nH]2)nc(N)n1	ZINC000217105327	535335767	/nfs/dbraw/zinc/33/57/67/535335767.db2.gz	JKQWYQJVRSQAAL-UHFFFAOYSA-N	-1	0	332.364	0.431	50	70		ECIARM
Cc1cc2ncc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n2[n-]1	ZINC000217412096	545920313	/nfs/dbraw/zinc/92/03/13/545920313.db2.gz	NRIAGVOCBCYERN-UHFFFAOYSA-N	-1	0	342.359	0.066	50	70		ECIARM
CSCC[C@@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O	ZINC000218515468	295599876	/nfs/dbraw/zinc/59/98/76/295599876.db2.gz	UMMUVPSIXSQZNY-NSHDSACASA-N	-1	0	338.433	0.494	50	70		ECIARM
CSCc1ccc(C(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)o1	ZINC000218250082	545920973	/nfs/dbraw/zinc/92/09/73/545920973.db2.gz	IXYMOVZURDCQSC-UHFFFAOYSA-N	-1	0	349.416	0.771	50	70		ECIARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1	ZINC000218218412	241305229	/nfs/dbraw/zinc/30/52/29/241305229.db2.gz	AQOLBLHCDSJAKZ-UHFFFAOYSA-N	-1	0	337.357	0.196	50	70		ECIARM
CC(C)c1noc([C@@H]2CCCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)n1	ZINC000218461031	241323988	/nfs/dbraw/zinc/32/39/88/241323988.db2.gz	JDCGMOVVLPFPME-SNVBAGLBSA-N	-1	0	347.375	0.518	50	70		ECIARM
CN(CCc1nc2ccccc2[nH]1)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000217187071	241242816	/nfs/dbraw/zinc/24/28/16/241242816.db2.gz	ZRZQXBVSBULENI-UHFFFAOYSA-N	-1	0	327.344	0.183	50	70		ECIARM
C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2[nH]1	ZINC000218556392	241331458	/nfs/dbraw/zinc/33/14/58/241331458.db2.gz	IWPZELPPONOHMH-QMMMGPOBSA-N	-1	0	328.332	0.557	50	70		ECIARM
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000217044036	536460789	/nfs/dbraw/zinc/46/07/89/536460789.db2.gz	OLVODVAZPQZIEN-UHFFFAOYSA-N	-1	0	330.319	0.885	50	70		ECIARM
CCn1nc(CNC(=O)Cc2cc(=O)[nH][n-]c2=O)c2ccccc21	ZINC000218524801	241328715	/nfs/dbraw/zinc/32/87/15/241328715.db2.gz	KQDZPOGBGYBYFD-UHFFFAOYSA-N	-1	0	327.344	0.292	50	70		ECIARM
Cc1cc(=O)n2nc(CCC(=O)N[C@H](CO)c3ccccc3)[n-]c2n1	ZINC000218226036	241308739	/nfs/dbraw/zinc/30/87/39/241308739.db2.gz	RCUFVHAWAMODNK-CYBMUJFWSA-N	-1	0	341.371	0.508	50	70		ECIARM
Cc1cccc(N2CCN(CC(=O)N[C@@H](C)c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000217415474	241248128	/nfs/dbraw/zinc/24/81/28/241248128.db2.gz	VUNOHNJXEYBTGU-ZDUSSCGKSA-N	-1	0	344.419	0.406	50	70		ECIARM
COc1ccccc1-c1noc(CCC(=O)NCc2n[nH]c(=O)[n-]2)n1	ZINC000217976364	241287627	/nfs/dbraw/zinc/28/76/27/241287627.db2.gz	XYDRMXFKWGTQOG-UHFFFAOYSA-N	-1	0	344.331	0.406	50	70		ECIARM
Cc1cccc(N2CCN(CC(=O)N[C@H](C)c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000217415551	241248930	/nfs/dbraw/zinc/24/89/30/241248930.db2.gz	VUNOHNJXEYBTGU-CYBMUJFWSA-N	-1	0	344.419	0.406	50	70		ECIARM