smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc([N-]S(=O)(=O)c2c(CC)nn(C)c2CC)n[nH]1	ZINC000159664875	539517834	/nfs/dbraw/zinc/51/78/34/539517834.db2.gz	BFLASMBCDFUGOH-UHFFFAOYSA-N	-1	0	325.438	2.021	10	70		EEIERM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)s1	ZINC000160516449	255797814	/nfs/dbraw/zinc/79/78/14/255797814.db2.gz	BSRLRMZLANNZGC-CQSZACIVSA-N	-1	0	331.459	2.420	10	70		EEIERM
Cc1[nH]nc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C	ZINC000160500892	311354783	/nfs/dbraw/zinc/35/47/83/311354783.db2.gz	RNYWVAYKIWDQKP-UHFFFAOYSA-N	-1	0	343.792	2.252	10	70		EEIERM
C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)O1	ZINC000160502821	255797899	/nfs/dbraw/zinc/79/78/99/255797899.db2.gz	KNLFLPXAHAYENA-UWVGGRQHSA-N	-1	0	331.459	2.418	10	70		EEIERM
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)[N-]OCc1cccnc1	ZINC000160820637	463374269	/nfs/dbraw/zinc/37/42/69/463374269.db2.gz	WJFFDMPMXQOBNJ-WMLDXEAASA-N	-1	0	341.411	2.474	10	70		EEIERM
CCCN1C(=O)N=NC1S(=O)(=O)Cc1c(F)cccc1Cl	ZINC000160918919	463381382	/nfs/dbraw/zinc/38/13/82/463381382.db2.gz	GQGFFSJKIUQGSX-UHFFFAOYSA-N	-1	0	333.772	2.160	10	70		EEIERM
CC[C@H](NS(=O)(=O)c1cccc2c1OCCO2)c1nccs1	ZINC000159967938	311348262	/nfs/dbraw/zinc/34/82/62/311348262.db2.gz	FFPYLYKSNVTPQQ-JTQLQIEISA-N	-1	0	340.426	2.344	10	70		EEIERM
NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160388051	273985254	/nfs/dbraw/zinc/98/52/54/273985254.db2.gz	HISINDZBGLJLMN-JOYOIKCWSA-N	-1	0	328.771	2.349	10	70		EEIERM
C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)O1	ZINC000160502686	463344302	/nfs/dbraw/zinc/34/43/02/463344302.db2.gz	KNLFLPXAHAYENA-ZJUUUORDSA-N	-1	0	331.459	2.418	10	70		EEIERM
NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160388297	463333117	/nfs/dbraw/zinc/33/31/17/463333117.db2.gz	HISINDZBGLJLMN-BXKDBHETSA-N	-1	0	328.771	2.349	10	70		EEIERM
Cc1ccccc1C(=O)N[C@@H](C(=O)[N-]OCc1cccnc1)C(C)C	ZINC000160814416	206314144	/nfs/dbraw/zinc/31/41/44/206314144.db2.gz	VVIIQNSSBSGDHZ-QGZVFWFLSA-N	-1	0	341.411	2.392	10	70		EEIERM
CC[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)c1nccs1	ZINC000159968059	311348289	/nfs/dbraw/zinc/34/82/89/311348289.db2.gz	FFPYLYKSNVTPQQ-SNVBAGLBSA-N	-1	0	340.426	2.344	10	70		EEIERM
Cc1ccc(-c2nc(NC(=O)CNC(=O)c3ccccc3C)n[nH]2)o1	ZINC000160167226	463321043	/nfs/dbraw/zinc/32/10/43/463321043.db2.gz	AYNKNJSXULGPJO-UHFFFAOYSA-N	-1	0	339.355	2.050	10	70		EEIERM
Cn1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc(Cl)c1=O	ZINC000160254912	311352235	/nfs/dbraw/zinc/35/22/35/311352235.db2.gz	RRPVYMFSCQQIPD-UHFFFAOYSA-N	-1	0	334.731	2.118	10	70		EEIERM
CC1(C)CCC(=CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1	ZINC000160381965	463333047	/nfs/dbraw/zinc/33/30/47/463333047.db2.gz	ATWRLSPLQKAOKK-UHFFFAOYSA-N	-1	0	344.462	2.375	10	70		EEIERM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1	ZINC000160919414	463382443	/nfs/dbraw/zinc/38/24/43/463382443.db2.gz	IUDCFKAESMJEHV-UHFFFAOYSA-N	-1	0	347.421	2.457	10	70		EEIERM
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)s1	ZINC000161412905	463429086	/nfs/dbraw/zinc/42/90/86/463429086.db2.gz	FDJHTEPNKNKAJQ-VHSXEESVSA-N	-1	0	344.462	2.065	10	70		EEIERM
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1	ZINC000161412632	463429291	/nfs/dbraw/zinc/42/92/91/463429291.db2.gz	FDJHTEPNKNKAJQ-NXEZZACHSA-N	-1	0	344.462	2.065	10	70		EEIERM
CCc1cc(C)c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)o1	ZINC000160687134	463362468	/nfs/dbraw/zinc/36/24/68/463362468.db2.gz	IANKWOLVDZHYTL-UHFFFAOYSA-N	-1	0	328.372	2.033	10	70		EEIERM
NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160388428	273985247	/nfs/dbraw/zinc/98/52/47/273985247.db2.gz	HISINDZBGLJLMN-SKDRFNHKSA-N	-1	0	328.771	2.349	10	70		EEIERM
Cn1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1=O	ZINC000160253375	311351807	/nfs/dbraw/zinc/35/18/07/311351807.db2.gz	PVEWVAGFLYZIHA-UHFFFAOYSA-N	-1	0	334.731	2.118	10	70		EEIERM
O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(OCCCO)CC1	ZINC000160223328	539520583	/nfs/dbraw/zinc/52/05/83/539520583.db2.gz	LOSAXIRJBDOICH-UHFFFAOYSA-N	-1	0	331.771	2.188	10	70		EEIERM
CCc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1CC	ZINC000160321675	311353129	/nfs/dbraw/zinc/35/31/29/311353129.db2.gz	UWQMDOHOIMYRAM-UHFFFAOYSA-N	-1	0	334.445	2.468	10	70		EEIERM
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)s1	ZINC000161413037	463429316	/nfs/dbraw/zinc/42/93/16/463429316.db2.gz	FDJHTEPNKNKAJQ-UWVGGRQHSA-N	-1	0	344.462	2.065	10	70		EEIERM
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)[N-]OCc1cccnc1	ZINC000160820516	463373913	/nfs/dbraw/zinc/37/39/13/463373913.db2.gz	WJFFDMPMXQOBNJ-RHSMWYFYSA-N	-1	0	341.411	2.474	10	70		EEIERM
CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)n[nH]1	ZINC000159960055	529017435	/nfs/dbraw/zinc/01/74/35/529017435.db2.gz	VSTGVOBSXVMCON-UHFFFAOYSA-N	-1	0	337.401	2.340	10	70		EEIERM
CCCn1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC	ZINC000160894689	311359465	/nfs/dbraw/zinc/35/94/65/311359465.db2.gz	KOFFVNZSKSIEBA-UHFFFAOYSA-N	-1	0	341.364	2.020	10	70		EEIERM
CCc1cc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)oc1CC	ZINC000160687275	463362743	/nfs/dbraw/zinc/36/27/43/463362743.db2.gz	HAQUELHJPRJVIC-UHFFFAOYSA-N	-1	0	342.399	2.287	10	70		EEIERM
Cc1ccccc1C(=O)N[C@H](C(=O)[N-]OCc1cccnc1)C(C)C	ZINC000160814286	225482931	/nfs/dbraw/zinc/48/29/31/225482931.db2.gz	VVIIQNSSBSGDHZ-KRWDZBQOSA-N	-1	0	341.411	2.392	10	70		EEIERM
Cc1cc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)c(Cl)cc1F	ZINC000159545279	311343007	/nfs/dbraw/zinc/34/30/07/311343007.db2.gz	IBXBSXOOXNXFNO-UHFFFAOYSA-N	-1	0	349.796	2.144	10	70		EEIERM
CCc1ccccc1-n1cc([O-])c(C(=O)NCC2(CCO)CCC2)n1	ZINC000160178773	311350945	/nfs/dbraw/zinc/35/09/45/311350945.db2.gz	XSQRPPKVCOSDNO-UHFFFAOYSA-N	-1	0	343.427	2.423	10	70		EEIERM
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160388156	463333181	/nfs/dbraw/zinc/33/31/81/463333181.db2.gz	HISINDZBGLJLMN-CABZTGNLSA-N	-1	0	328.771	2.349	10	70		EEIERM
CCCCc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n[nH]1	ZINC000159935846	529016815	/nfs/dbraw/zinc/01/68/15/529016815.db2.gz	BEILRLRXYYPIEB-UHFFFAOYSA-N	-1	0	331.829	2.248	10	70		EEIERM
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)[N-]OCc1cccnc1	ZINC000160820417	463373724	/nfs/dbraw/zinc/37/37/24/463373724.db2.gz	WJFFDMPMXQOBNJ-YOEHRIQHSA-N	-1	0	341.411	2.474	10	70		EEIERM
C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)O1	ZINC000160502552	463344557	/nfs/dbraw/zinc/34/45/57/463344557.db2.gz	KNLFLPXAHAYENA-VHSXEESVSA-N	-1	0	331.459	2.418	10	70		EEIERM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)s1	ZINC000160516576	463345429	/nfs/dbraw/zinc/34/54/29/463345429.db2.gz	BSRLRMZLANNZGC-AWEZNQCLSA-N	-1	0	331.459	2.420	10	70		EEIERM
C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)O1	ZINC000160502441	255797685	/nfs/dbraw/zinc/79/76/85/255797685.db2.gz	KNLFLPXAHAYENA-NXEZZACHSA-N	-1	0	331.459	2.418	10	70		EEIERM
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)[N-]OCc1cccnc1	ZINC000160820261	463373893	/nfs/dbraw/zinc/37/38/93/463373893.db2.gz	WJFFDMPMXQOBNJ-PBHICJAKSA-N	-1	0	341.411	2.474	10	70		EEIERM
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1	ZINC000161412774	295542043	/nfs/dbraw/zinc/54/20/43/295542043.db2.gz	FDJHTEPNKNKAJQ-ZJUUUORDSA-N	-1	0	344.462	2.065	10	70		EEIERM