smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c(C)s1	ZINC000160473185	206299283	/nfs/dbraw/zinc/29/92/83/206299283.db2.gz	LFZJNAAXWVISGA-UHFFFAOYSA-N	-1	0	325.387	2.955	10	70		EFIERM
Cc1cc(S(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)c(C)s1	ZINC000160933486	473192652	/nfs/dbraw/zinc/19/26/52/473192652.db2.gz	LRKTXGLNKKDSML-UHFFFAOYSA-N	-1	0	332.476	2.784	10	70		EFIERM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1	ZINC000160215182	225363446	/nfs/dbraw/zinc/36/34/46/225363446.db2.gz	YHMAETMTOZEASV-UHFFFAOYSA-N	-1	0	337.298	2.694	10	70		EFIERM
Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1nc2ccccc2s1	ZINC000160152690	310695235	/nfs/dbraw/zinc/69/52/35/310695235.db2.gz	GLOLKPAEXKEOEE-ZDUSSCGKSA-N	-1	0	330.413	2.725	10	70		EFIERM
Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1nc2ccccc2s1	ZINC000160152801	473090818	/nfs/dbraw/zinc/09/08/18/473090818.db2.gz	GLOLKPAEXKEOEE-CYBMUJFWSA-N	-1	0	330.413	2.725	10	70		EFIERM
CCc1cc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])n[nH]1	ZINC000161112301	544809960	/nfs/dbraw/zinc/80/99/60/544809960.db2.gz	AFIJYVVCRLNKDZ-UHFFFAOYSA-N	-1	0	329.335	2.563	10	70		EFIERM
CN(C)c1ccc(NC(=O)c2ccc(Br)c([O-])c2)cn1	ZINC000159518960	473034283	/nfs/dbraw/zinc/03/42/83/473034283.db2.gz	ZYUDUTOXAICYFK-UHFFFAOYSA-N	-1	0	336.189	2.868	10	70		EFIERM
Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1C	ZINC000159632058	473046042	/nfs/dbraw/zinc/04/60/42/473046042.db2.gz	UZDPHLKKVABSTJ-UHFFFAOYSA-N	-1	0	331.800	2.939	10	70		EFIERM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000160922600	473191869	/nfs/dbraw/zinc/19/18/69/473191869.db2.gz	QOAGDZYDGJMETF-SUMWQHHRSA-N	-1	0	345.420	2.508	10	70		EFIERM
COc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(C)n1	ZINC000160672559	310701523	/nfs/dbraw/zinc/70/15/23/310701523.db2.gz	RYDNPOPERHCSBR-UHFFFAOYSA-N	-1	0	329.381	2.748	10	70		EFIERM
CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cccc3ncccc32)n1	ZINC000160949536	473193291	/nfs/dbraw/zinc/19/32/91/473193291.db2.gz	SLWXRXYUSXZEGF-UHFFFAOYSA-N	-1	0	349.441	2.654	10	70		EFIERM
CC(C)(C)c1cnc(S([O-])=CC(=O)NC2CCCCC2)s1	ZINC000160600260	310700771	/nfs/dbraw/zinc/70/07/71/310700771.db2.gz	IPNLAQQIDGRMFW-OAQYLSRUSA-N	-1	0	328.503	2.997	10	70		EFIERM
O=C([N-]S(=O)(=O)c1ccsc1)[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000159668904	303819957	/nfs/dbraw/zinc/81/99/57/303819957.db2.gz	XTZGCQRSWDVVFO-NXEZZACHSA-N	-1	0	341.376	2.922	10	70		EFIERM
Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1	ZINC000160116571	310694941	/nfs/dbraw/zinc/69/49/41/310694941.db2.gz	KLFUCMHXYRGJKW-INIZCTEOSA-N	-1	0	343.333	2.938	10	70		EFIERM
Cc1cc(S(=O)(=O)NCc2ccccc2CO)c(Cl)cc1F	ZINC000159743623	473056934	/nfs/dbraw/zinc/05/69/34/473056934.db2.gz	HJGNMQHWHZHCQL-UHFFFAOYSA-N	-1	0	343.807	2.758	10	70		EFIERM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000160922310	473191853	/nfs/dbraw/zinc/19/18/53/473191853.db2.gz	QOAGDZYDGJMETF-GUYCJALGSA-N	-1	0	345.420	2.508	10	70		EFIERM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1cnn(Cc2ccccc2)c1	ZINC000161297226	239066686	/nfs/dbraw/zinc/06/66/86/239066686.db2.gz	XRWZVUQRURRMNN-UHFFFAOYSA-N	-1	0	347.371	2.577	10	70		EFIERM
Cc1cc(C)n(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1	ZINC000160694349	206309163	/nfs/dbraw/zinc/30/91/63/206309163.db2.gz	DECZKEYLYXEGOH-UHFFFAOYSA-N	-1	0	327.306	2.767	10	70		EFIERM
CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nccs1	ZINC000159935224	473073441	/nfs/dbraw/zinc/07/34/41/473073441.db2.gz	TZFTYFKRFYVLGF-SNVBAGLBSA-N	-1	0	336.360	2.990	10	70		EFIERM
Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)o1	ZINC000160172893	473093710	/nfs/dbraw/zinc/09/37/10/473093710.db2.gz	BKEHQFCITYSRPX-JTQLQIEISA-N	-1	0	340.376	2.590	10	70		EFIERM
Cc1cccc2c1ncnc2N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000160587027	473146331	/nfs/dbraw/zinc/14/63/31/473146331.db2.gz	ZOGUDIMZGDNLAO-UHFFFAOYSA-N	-1	0	337.408	2.873	10	70		EFIERM
C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(O)c(F)c2)ccc1F	ZINC000160127146	225343623	/nfs/dbraw/zinc/34/36/23/225343623.db2.gz	VRJUYJAUTJTDRU-UHFFFAOYSA-N	-1	0	349.381	2.731	10	70		EFIERM
O=C([N-]S(=O)(=O)c1ccsc1)[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000159668632	473050049	/nfs/dbraw/zinc/05/00/49/473050049.db2.gz	XTZGCQRSWDVVFO-ZJUUUORDSA-N	-1	0	341.376	2.922	10	70		EFIERM
CC[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1nccs1	ZINC000159958484	473075453	/nfs/dbraw/zinc/07/54/53/473075453.db2.gz	QHILNKKLFBZQKQ-SNVBAGLBSA-N	-1	0	336.360	2.990	10	70		EFIERM
Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1	ZINC000160116684	473087953	/nfs/dbraw/zinc/08/79/53/473087953.db2.gz	KLFUCMHXYRGJKW-MRXNPFEDSA-N	-1	0	343.333	2.938	10	70		EFIERM
Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(C)s1	ZINC000160276667	473104110	/nfs/dbraw/zinc/10/41/10/473104110.db2.gz	IULCQBUOSPHYES-UHFFFAOYSA-N	-1	0	339.364	2.925	10	70		EFIERM
Cc1cccc2[nH]c(CNC(=O)c3nn(-c4ccccc4)cc3[O-])nc21	ZINC000160598273	473148782	/nfs/dbraw/zinc/14/87/82/473148782.db2.gz	LRFZXNLJZSZHOX-UHFFFAOYSA-N	-1	0	347.378	2.693	10	70		EFIERM
CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1nccs1	ZINC000159935138	310693079	/nfs/dbraw/zinc/69/30/79/310693079.db2.gz	TZFTYFKRFYVLGF-JTQLQIEISA-N	-1	0	336.360	2.990	10	70		EFIERM
O=C([N-]S(=O)(=O)c1ccsc1)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000159668773	473049976	/nfs/dbraw/zinc/04/99/76/473049976.db2.gz	XTZGCQRSWDVVFO-UWVGGRQHSA-N	-1	0	341.376	2.922	10	70		EFIERM
COc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1	ZINC000159597978	206255012	/nfs/dbraw/zinc/25/50/12/206255012.db2.gz	YRTNKRRJPIKEEP-UHFFFAOYSA-N	-1	0	339.442	2.553	10	70		EFIERM
CC[C@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1nccs1	ZINC000159940904	473074972	/nfs/dbraw/zinc/07/49/72/473074972.db2.gz	IROWTKXATXAXOC-NSHDSACASA-N	-1	0	342.442	2.590	10	70		EFIERM
CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)s1	ZINC000160283086	473104786	/nfs/dbraw/zinc/10/47/86/473104786.db2.gz	CXYMGZPEVCEOCX-UHFFFAOYSA-N	-1	0	339.364	2.870	10	70		EFIERM
O=C(NCc1ccc(OCC2CC2)nc1)c1c([O-])cc(F)cc1F	ZINC000160316421	473106420	/nfs/dbraw/zinc/10/64/20/473106420.db2.gz	WXECDWMOAAGENU-UHFFFAOYSA-N	-1	0	334.322	2.784	10	70		EFIERM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000160922711	473191444	/nfs/dbraw/zinc/19/14/44/473191444.db2.gz	QOAGDZYDGJMETF-CXAGYDPISA-N	-1	0	345.420	2.508	10	70		EFIERM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000160922456	473191744	/nfs/dbraw/zinc/19/17/44/473191744.db2.gz	QOAGDZYDGJMETF-DYVFJYSZSA-N	-1	0	345.420	2.508	10	70		EFIERM
O=C(c1ccc2ccccc2c1O)N1CCC(OCCCO)CC1	ZINC000160256831	544804367	/nfs/dbraw/zinc/80/43/67/544804367.db2.gz	VYIAEZQRSGHRKR-UHFFFAOYSA-N	-1	0	329.396	2.549	10	70		EFIERM
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc4c[nH]nc43)cc2)n1	ZINC000161183748	473215145	/nfs/dbraw/zinc/21/51/45/473215145.db2.gz	LXNAYQDKRPTYIW-UHFFFAOYSA-N	-1	0	345.362	2.874	10	70		EFIERM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n[nH]1	ZINC000159864336	528086378	/nfs/dbraw/zinc/08/63/78/528086378.db2.gz	OLBNKDVERNBMSR-QMMMGPOBSA-N	-1	0	345.856	2.809	10	70		EFIERM
O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(OCCCO)CC1	ZINC000160121591	544802536	/nfs/dbraw/zinc/80/25/36/544802536.db2.gz	CHEZRZSGVGRZPZ-UHFFFAOYSA-N	-1	0	348.226	2.703	10	70		EFIERM
CCCCN1CCc2ccc([N-]S(=O)(=O)c3c[nH]c(C)n3)cc21	ZINC000160203402	310696066	/nfs/dbraw/zinc/69/60/66/310696066.db2.gz	RRPINLQQDYNSRX-UHFFFAOYSA-N	-1	0	334.445	2.682	10	70		EFIERM
CC(C)(C)c1cnc(S([O-])=CC(=O)NC2CCCCC2)s1	ZINC000160600388	473149560	/nfs/dbraw/zinc/14/95/60/473149560.db2.gz	IPNLAQQIDGRMFW-NRFANRHFSA-N	-1	0	328.503	2.997	10	70		EFIERM
Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)o1	ZINC000160172771	525714371	/nfs/dbraw/zinc/71/43/71/525714371.db2.gz	BKEHQFCITYSRPX-SNVBAGLBSA-N	-1	0	340.376	2.590	10	70		EFIERM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n[nH]1	ZINC000159864209	528909843	/nfs/dbraw/zinc/90/98/43/528909843.db2.gz	OLBNKDVERNBMSR-MRVPVSSYSA-N	-1	0	345.856	2.809	10	70		EFIERM