smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1	ZINC000446624322	870527055	/nfs/dbraw/zinc/52/70/55/870527055.db2.gz	NVZPSLMNWSMATL-UHFFFAOYSA-N	-2	0	422.528	4.227	20	30		HIEDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000476412403	891326336	/nfs/dbraw/zinc/32/63/36/891326336.db2.gz	RFSRSZJOYOIYHP-NSHDSACASA-N	-2	0	424.931	4.399	20	30		HIEDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCCC#N	ZINC000476398017	891315212	/nfs/dbraw/zinc/31/52/12/891315212.db2.gz	CTJBAMWBIOTVKW-UHFFFAOYSA-N	-2	0	410.904	4.153	20	30		HIEDRL
C=CCC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1	ZINC000436537670	861841639	/nfs/dbraw/zinc/84/16/39/861841639.db2.gz	ICXIGCIKSHJQKM-UHFFFAOYSA-N	-2	0	405.501	4.158	20	30		HIEDRL
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C(=O)[O-]	ZINC000409871464	855698183	/nfs/dbraw/zinc/69/81/83/855698183.db2.gz	DYQQGPHVVASMHT-UHFFFAOYSA-N	-2	0	408.435	4.158	20	30		HIEDRL
N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F	ZINC000438712609	864193733	/nfs/dbraw/zinc/19/37/33/864193733.db2.gz	FGMSFAJZRXOQBO-UHFFFAOYSA-N	-2	0	418.427	4.050	20	30		HIEDRL
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000479472253	894794954	/nfs/dbraw/zinc/79/49/54/894794954.db2.gz	WRYPYOGRQDTCGL-NSHDSACASA-N	-2	0	424.931	4.399	20	30		HIEDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1	ZINC000512751806	921301274	/nfs/dbraw/zinc/30/12/74/921301274.db2.gz	FOQVWDKCBLKNSH-GFCCVEGCSA-N	-2	0	408.476	4.027	20	30		HIEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000475742847	890686287	/nfs/dbraw/zinc/68/62/87/890686287.db2.gz	CJLOVNHCPUYXSI-UHFFFAOYSA-N	-2	0	418.780	4.038	20	30		HIEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000479510987	894824393	/nfs/dbraw/zinc/82/43/93/894824393.db2.gz	NZHPZZHKSNVZFS-UHFFFAOYSA-N	-2	0	405.646	4.017	20	30		HIEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000548531649	941113014	/nfs/dbraw/zinc/11/30/14/941113014.db2.gz	TYGSZAFSLXSJHA-UHFFFAOYSA-N	-2	0	418.780	4.038	20	30		HIEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(Cl)c1	ZINC000504024590	912928771	/nfs/dbraw/zinc/92/87/71/912928771.db2.gz	OYLQMYJKVZMLIP-UHFFFAOYSA-N	-2	0	405.646	4.017	20	30		HIEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(OCc2ccccc2C(=O)[O-])c1	ZINC000520250800	928418175	/nfs/dbraw/zinc/41/81/75/928418175.db2.gz	OBYOSRSLWRDMFV-CSKARUKUSA-N	-2	0	400.390	4.099	20	30		HIEDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)sc1C(=O)[O-]	ZINC000409873453	855699070	/nfs/dbraw/zinc/69/90/70/855699070.db2.gz	YUKHTHIGPMCTNW-UHFFFAOYSA-N	-2	0	414.464	4.220	20	30		HIEDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1C	ZINC000467747065	881552096	/nfs/dbraw/zinc/55/20/96/881552096.db2.gz	QMMJYEBTPOGWMZ-UHFFFAOYSA-N	-2	0	412.423	4.059	20	30		HIEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(OCc2ccccc2C(=O)[O-])c1	ZINC000520250801	928418793	/nfs/dbraw/zinc/41/87/93/928418793.db2.gz	OBYOSRSLWRDMFV-NTMALXAHSA-N	-2	0	400.390	4.099	20	30		HIEDRL
N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F	ZINC000438724409	864207910	/nfs/dbraw/zinc/20/79/10/864207910.db2.gz	ORBLCZOTGGGLJC-UHFFFAOYSA-N	-2	0	418.427	4.050	20	30		HIEDRL
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SCCC#N	ZINC000479471319	894793543	/nfs/dbraw/zinc/79/35/43/894793543.db2.gz	UNONQUKVWSZLAQ-UHFFFAOYSA-N	-2	0	410.904	4.153	20	30		HIEDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000521800558	929458638	/nfs/dbraw/zinc/45/86/38/929458638.db2.gz	MARDHEPVPAOOLZ-LLVKDONJSA-N	-2	0	408.476	4.027	20	30		HIEDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000476412402	891325338	/nfs/dbraw/zinc/32/53/38/891325338.db2.gz	RFSRSZJOYOIYHP-LLVKDONJSA-N	-2	0	424.931	4.399	20	30		HIEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Br)c([O-])c(Br)c1	ZINC000436624789	861874384	/nfs/dbraw/zinc/87/43/84/861874384.db2.gz	AOKVTUVTLZLKKW-IWQZZHSRSA-N	-2	0	424.048	4.052	20	30		HIEDRL
CC(C)(C)N1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1	ZINC000060822667	851221711	/nfs/dbraw/zinc/22/17/11/851221711.db2.gz	WOIAYVKZARGFJX-AYRZQKSOSA-N	-2	0	419.477	4.233	20	30		HIEDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1	ZINC000512751807	921301483	/nfs/dbraw/zinc/30/14/83/921301483.db2.gz	FOQVWDKCBLKNSH-LBPRGKRZSA-N	-2	0	408.476	4.027	20	30		HIEDRL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000511108878	919716986	/nfs/dbraw/zinc/71/69/86/919716986.db2.gz	SNZZEUYTHBMVQL-UHFFFAOYSA-N	-2	0	414.464	4.220	20	30		HIEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Br)c([O-])c(Br)c1	ZINC000436624784	861874602	/nfs/dbraw/zinc/87/46/02/861874602.db2.gz	AOKVTUVTLZLKKW-HNQUOIGGSA-N	-2	0	424.048	4.052	20	30		HIEDRL
N#CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1	ZINC000475807229	890741082	/nfs/dbraw/zinc/74/10/82/890741082.db2.gz	JFSFJCIRQZGHPU-UHFFFAOYSA-N	-2	0	408.435	4.044	20	30		HIEDRL
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000479472251	894793790	/nfs/dbraw/zinc/79/37/90/894793790.db2.gz	WRYPYOGRQDTCGL-LLVKDONJSA-N	-2	0	424.931	4.399	20	30		HIEDRL
CSc1[n-]c(=O)c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc1C#N	ZINC000497081652	906801774	/nfs/dbraw/zinc/80/17/74/906801774.db2.gz	SRBORSALTNXSRQ-UHFFFAOYSA-N	-2	0	404.662	4.299	20	30		HIEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000547936785	941079824	/nfs/dbraw/zinc/07/98/24/941079824.db2.gz	NFEXXAUNEWRPQQ-UHFFFAOYSA-N	-2	0	405.646	4.017	20	30		HIEDRL
COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000026763108	847194538	/nfs/dbraw/zinc/19/45/38/847194538.db2.gz	ABLFNSRSKHMFQX-FARCUNLSSA-N	-2	0	409.350	4.163	20	30		HIEDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000521800559	929460344	/nfs/dbraw/zinc/46/03/44/929460344.db2.gz	MARDHEPVPAOOLZ-NSHDSACASA-N	-2	0	408.476	4.027	20	30		HIEDRL