smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	ZINC000000273716	435953199	/nfs/dbraw/zinc/95/31/99/435953199.db2.gz	BQJVKHLHPAEXKP-UHFFFAOYSA-N	0	2	346.343	0.940	40	10		ECCBLN
NS(=O)(=O)c1ccc(NN=C2N=c3[nH]c(=O)[nH]c(=O)c3=N2)cc1	ZINC000100133150	436545509	/nfs/dbraw/zinc/54/55/09/436545509.db2.gz	WRIWGGIOJCHIRO-ZCXUNETKSA-N	0	2	335.305	0.827	40	10	in-vitro	ECCBLN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCO	ZINC000408536943	438582279	/nfs/dbraw/zinc/58/22/79/438582279.db2.gz	YLBMRXNRFSSLQG-JLHYYAGUSA-N	0	2	325.324	0.888	40	10		ECCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNCCCO)C2=O)cc1	ZINC000103762446	219324328	/nfs/dbraw/zinc/32/43/28/219324328.db2.gz	NXHIZEGIRAQUTP-JLHYYAGUSA-N	0	2	333.344	0.524	40	10		ECCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNn3cnnc3)C2=O)cc1	ZINC000408528921	438582324	/nfs/dbraw/zinc/58/23/24/438582324.db2.gz	GIACAXYCVOOXGO-KPKJPENVSA-N	0	2	342.315	0.387	40	10		ECCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3nc[nH]n3)C2=O)cc1C	ZINC000408526283	438582297	/nfs/dbraw/zinc/58/22/97/438582297.db2.gz	BLVUPEIZXNGMGV-IZZDOVSWSA-N	0	2	326.316	1.000	40	10		ECCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(C)C1=O	ZINC000100276662	219095916	/nfs/dbraw/zinc/09/59/16/219095916.db2.gz	IAOHPMJXVFPVEZ-SERMCNLOSA-N	0	2	326.312	0.660	40	10		ECCBLN
Cc1ccc(N2NC(=O)C(=Cc3c(O)[nH]c(=S)[nH]c3=O)C2=O)cc1	ZINC000005728579	435992263	/nfs/dbraw/zinc/99/22/63/435992263.db2.gz	YOUUEGSWIUDSTD-UXBLZVDNSA-N	0	2	344.352	0.908	40	10		ECCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNC(N)=N[N+](=O)[O-])C2=O)cc1C	ZINC000408530374	438582911	/nfs/dbraw/zinc/58/29/11/438582911.db2.gz	LPMGIOMFYPWYEL-UXBLZVDNSA-N	0	2	346.303	0.076	40	10		ECCBLN
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(O)[nH]c(=O)[nH]c1=O	ZINC000005544083	435988732	/nfs/dbraw/zinc/98/87/32/435988732.db2.gz	FTRYVXUWBLYVGA-YRNVUSSQSA-N	0	2	326.312	0.883	40	10		ECCBLN
COc1ccc(N2N=C(C)C(=Cc3c(O)[nH]c(=O)[nH]c3=O)C2=O)cc1	ZINC000016607580	295156757	/nfs/dbraw/zinc/15/67/57/295156757.db2.gz	QBXJXKSRJGYQBH-YRNVUSSQSA-N	0	2	342.311	0.584	40	10		ECCBLN
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNNC(N)=S)C2=O)c(C)c1	ZINC000408528469	301183540	/nfs/dbraw/zinc/18/35/40/301183540.db2.gz	GCVFWNUPWOFQQZ-UXBLZVDNSA-N	0	2	347.400	0.416	40	10		ECCBLN
COc1ccccc1N1C(=O)NC(=O)C(=CN2CCOCC2)C1=O	ZINC000408531164	438582132	/nfs/dbraw/zinc/58/21/32/438582132.db2.gz	NJRREDRSMHCKIU-ZHACJKMWSA-N	0	2	331.328	0.494	40	10		ECCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2nc[nH]n2)C1=O	ZINC000408527930	438582319	/nfs/dbraw/zinc/58/23/19/438582319.db2.gz	GTAIRTYMWILZOE-JXMROGBWSA-N	0	2	326.316	0.946	40	10		ECCBLN
CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=S)NC2=O)c1O	ZINC000003032470	435971985	/nfs/dbraw/zinc/97/19/85/435971985.db2.gz	UFJCTNLCGBVGCM-UHFFFAOYSA-N	0	2	337.313	0.613	40	10		ECCBLN
COc1ccc(N2N=C(C)C(=Cc3c(O)[nH]c(=O)[nH]c3=O)C2=O)cc1	ZINC000100947781	295157038	/nfs/dbraw/zinc/15/70/38/295157038.db2.gz	QBXJXKSRJGYQBH-XFFZJAGNSA-N	0	2	342.311	0.584	40	10		ECCBLN
CN1C(=O)C(=Cc2cc([N+](=O)[O-])c(O)cc2O)C(=O)N(C)C1=S	ZINC000059139213	436631237	/nfs/dbraw/zinc/63/12/37/436631237.db2.gz	FSEQQFKGSAYZAT-UHFFFAOYSA-N	0	2	337.313	0.605	40	10		ECCBLN
O=C1NC(=O)C(=CNNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000016385865	436090074	/nfs/dbraw/zinc/09/00/74/436090074.db2.gz	IAENTKCVCHTIGF-UHFFFAOYSA-N	0	2	336.220	0.510	40	10		ECCBLN
NC(=S)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000408537677	254764357	/nfs/dbraw/zinc/76/43/57/254764357.db2.gz	GUALPBLCSPRODS-AATRIKPKSA-N	0	2	339.764	0.145	40	10		ECCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=CN(CCO)CCO)C2=O)c1	ZINC000408531384	438582496	/nfs/dbraw/zinc/58/24/96/438582496.db2.gz	NVHVEEQFXCGXJR-JLHYYAGUSA-N	0	2	347.371	0.057	40	10		ECCBLN
NS(=O)(=O)c1ccc(NN=C2N=c3[nH]c(=O)[nH]c(=O)c3=N2)cc1	ZINC000018168478	436102770	/nfs/dbraw/zinc/10/27/70/436102770.db2.gz	WRIWGGIOJCHIRO-ISLYRVAYSA-N	0	2	335.305	0.366	40	10	in-vitro	ECCBLN
Cc1cc(=O)[nH]c(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)n1	ZINC000409098807	438583126	/nfs/dbraw/zinc/58/31/26/438583126.db2.gz	MBFBUWAYVWKFJM-UHFFFAOYSA-N	0	2	346.324	0.984	40	10		ECCBLN