smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(NS(=O)(=O)c2c(CC)nn(C)c2CC)[nH]n1	ZINC000159664875	539517839	/nfs/dbraw/zinc/51/78/39/539517839.db2.gz	BFLASMBCDFUGOH-UHFFFAOYSA-N	0	2	325.438	2.021	10	70		EEIELN
Cc1n[nH]c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C	ZINC000160500892	311354785	/nfs/dbraw/zinc/35/47/85/311354785.db2.gz	RNYWVAYKIWDQKP-UHFFFAOYSA-N	0	2	343.792	2.252	10	70		EEIELN
CN(C)c1[nH+]cccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000160252125	311351918	/nfs/dbraw/zinc/35/19/18/311351918.db2.gz	MWZUCUHVBAUCCF-UHFFFAOYSA-N	0	2	333.480	2.163	10	70		EEIELN
Cc1[nH]nc(C(C)C)c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000159713596	311344974	/nfs/dbraw/zinc/34/49/74/311344974.db2.gz	OETODKMNQRGNHQ-UHFFFAOYSA-N	0	2	345.428	2.412	10	70		EEIELN
Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000159713596	311344975	/nfs/dbraw/zinc/34/49/75/311344975.db2.gz	OETODKMNQRGNHQ-UHFFFAOYSA-N	0	2	345.428	2.412	10	70		EEIELN
NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1O	ZINC000160388051	273985257	/nfs/dbraw/zinc/98/52/57/273985257.db2.gz	HISINDZBGLJLMN-JOYOIKCWSA-N	0	2	328.771	2.349	10	70		EEIELN
Cc1cccc2c(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c[nH]c12	ZINC000161356540	463424071	/nfs/dbraw/zinc/42/40/71/463424071.db2.gz	WJFIJYZDRMNKPL-UHFFFAOYSA-N	0	2	329.400	2.236	10	70		EEIELN
NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1O	ZINC000160388297	463333122	/nfs/dbraw/zinc/33/31/22/463333122.db2.gz	HISINDZBGLJLMN-BXKDBHETSA-N	0	2	328.771	2.349	10	70		EEIELN
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1CCO[C@H](C3CC3)C1)c2=O	ZINC000159384590	463282643	/nfs/dbraw/zinc/28/26/43/463282643.db2.gz	DBRBSTZHKXVNQG-WFASDCNBSA-N	0	2	327.384	2.331	10	70		EEIELN
CC1(C)CCC(=CC(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1	ZINC000160381965	463333052	/nfs/dbraw/zinc/33/30/52/463333052.db2.gz	ATWRLSPLQKAOKK-UHFFFAOYSA-N	0	2	344.462	2.375	10	70		EEIELN
CNC(=O)c1ccc(S(=O)(=O)Nc2nccc3sccc32)cc1	ZINC000160919414	463382449	/nfs/dbraw/zinc/38/24/49/463382449.db2.gz	IUDCFKAESMJEHV-UHFFFAOYSA-N	0	2	347.421	2.457	10	70		EEIELN
CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)s1	ZINC000161412905	463429089	/nfs/dbraw/zinc/42/90/89/463429089.db2.gz	FDJHTEPNKNKAJQ-VHSXEESVSA-N	0	2	344.462	2.065	10	70		EEIELN
CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1	ZINC000161412632	463429299	/nfs/dbraw/zinc/42/92/99/463429299.db2.gz	FDJHTEPNKNKAJQ-NXEZZACHSA-N	0	2	344.462	2.065	10	70		EEIELN
NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1O	ZINC000160388428	273985249	/nfs/dbraw/zinc/98/52/49/273985249.db2.gz	HISINDZBGLJLMN-SKDRFNHKSA-N	0	2	328.771	2.349	10	70		EEIELN
O=C(c1cc(F)cc(Cl)c1O)N1CCC(OCCCO)CC1	ZINC000160223328	539520591	/nfs/dbraw/zinc/52/05/91/539520591.db2.gz	LOSAXIRJBDOICH-UHFFFAOYSA-N	0	2	331.771	2.188	10	70		EEIELN
O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2nc[nH]n2)c1	ZINC000160478308	463341410	/nfs/dbraw/zinc/34/14/10/463341410.db2.gz	DUNVJAWVGPGVNV-UHFFFAOYSA-N	0	2	348.410	2.266	10	70		EEIELN
CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)s1	ZINC000161413037	463429322	/nfs/dbraw/zinc/42/93/22/463429322.db2.gz	FDJHTEPNKNKAJQ-UWVGGRQHSA-N	0	2	344.462	2.065	10	70		EEIELN
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1CCO[C@H](C3CC3)C1)c2=O	ZINC000159384456	463283353	/nfs/dbraw/zinc/28/33/53/463283353.db2.gz	DBRBSTZHKXVNQG-DOMZBBRYSA-N	0	2	327.384	2.331	10	70		EEIELN
CCCCc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)[nH]n1	ZINC000159960055	529017452	/nfs/dbraw/zinc/01/74/52/529017452.db2.gz	VSTGVOBSXVMCON-UHFFFAOYSA-N	0	2	337.401	2.340	10	70		EEIELN
Cc1cc(S(=O)(=O)Nc2ncc(C(N)=O)s2)c(Cl)cc1F	ZINC000159545279	311343009	/nfs/dbraw/zinc/34/30/09/311343009.db2.gz	IBXBSXOOXNXFNO-UHFFFAOYSA-N	0	2	349.796	2.144	10	70		EEIELN
CCc1ccccc1N1CC(=O)C(C(=O)NCC2(CCO)CCC2)=N1	ZINC000160178773	311350947	/nfs/dbraw/zinc/35/09/47/311350947.db2.gz	XSQRPPKVCOSDNO-UHFFFAOYSA-N	0	2	343.427	2.423	10	70		EEIELN
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1O	ZINC000160388156	463333188	/nfs/dbraw/zinc/33/31/88/463333188.db2.gz	HISINDZBGLJLMN-CABZTGNLSA-N	0	2	328.771	2.349	10	70		EEIELN
O=C(c1c(O)cc(F)cc1F)N1CCC(N2CCCCC2=O)CC1	ZINC000160495359	539522017	/nfs/dbraw/zinc/52/20/17/539522017.db2.gz	FMKYZVWDRKIBNU-UHFFFAOYSA-N	0	2	338.354	2.288	10	70		EEIELN
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)c2=O	ZINC000159384726	463282626	/nfs/dbraw/zinc/28/26/26/463282626.db2.gz	DBRBSTZHKXVNQG-IUODEOHRSA-N	0	2	327.384	2.331	10	70		EEIELN
CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1	ZINC000161412774	295542044	/nfs/dbraw/zinc/54/20/44/295542044.db2.gz	FDJHTEPNKNKAJQ-ZJUUUORDSA-N	0	2	344.462	2.065	10	70		EEIELN
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1CCO[C@@H](C3CC3)C1)c2=O	ZINC000159384853	463283372	/nfs/dbraw/zinc/28/33/72/463283372.db2.gz	DBRBSTZHKXVNQG-SWLSCSKDSA-N	0	2	327.384	2.331	10	70		EEIELN