smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(I)cc3)c2)c1	ZINC000000825804	551544799	/nfs/dbraw/zinc/54/47/99/551544799.db2.gz	SASAQSNJRVDIMY-UHFFFAOYSA-N	-2	1	522.320	4.043	50	0		KIAAML
O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(I)cc3)c2)cc1	ZINC000000855883	551550454	/nfs/dbraw/zinc/55/04/54/551550454.db2.gz	KBUBXIAILBXPJG-UHFFFAOYSA-N	-2	1	522.320	4.043	50	0		KIAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)n1	ZINC000000968686	551590629	/nfs/dbraw/zinc/59/06/29/551590629.db2.gz	FJIMXOQPDXGMJH-UHFFFAOYSA-N	-2	1	506.609	4.266	50	0		KIAAML
Cn1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)n1	ZINC000001026408	551597550	/nfs/dbraw/zinc/59/75/50/551597550.db2.gz	ALVBAJMYXRIFDJ-UHFFFAOYSA-N	-2	1	528.456	4.059	50	0		KIAAML
Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000001196493	551622636	/nfs/dbraw/zinc/62/26/36/551622636.db2.gz	WJNGRDHPHMEIOX-UHFFFAOYSA-N	-2	1	536.347	4.351	50	0		KIAAML
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000001196538	551622655	/nfs/dbraw/zinc/62/26/55/551622655.db2.gz	OVOLQBPUZVCEOL-UHFFFAOYSA-N	-2	1	536.347	4.351	50	0		KIAAML
Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000001196566	551622701	/nfs/dbraw/zinc/62/27/01/551622701.db2.gz	GTKKHMDRIUCYNI-UHFFFAOYSA-N	-2	1	536.347	4.351	50	0		KIAAML
CCOC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002050059	551738051	/nfs/dbraw/zinc/73/80/51/551738051.db2.gz	DFQCNKDBLOCWIS-UHFFFAOYSA-N	-2	1	504.409	4.071	50	0		KIAAML
CCCCC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2nocc2C)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002050558	551738534	/nfs/dbraw/zinc/73/85/34/551738534.db2.gz	JVJTURUYZXIRMF-UHFFFAOYSA-N	-2	1	502.437	4.323	50	0		KIAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1	ZINC000002617404	552137309	/nfs/dbraw/zinc/13/73/09/552137309.db2.gz	LDBVWVQZWRUDCQ-UHFFFAOYSA-N	-2	1	520.942	4.367	50	0		KIAAML
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccc(N5C(=O)c6ccc(C(=O)[O-])cc6C5=O)cc4[nH]3)cc1)C2=O	ZINC000003001605	552252240	/nfs/dbraw/zinc/25/22/40/552252240.db2.gz	HTEHEIRADRAUND-UHFFFAOYSA-N	-2	1	572.489	4.228	50	0		KIAAML
O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1	ZINC000003058605	552281606	/nfs/dbraw/zinc/28/16/06/552281606.db2.gz	SUQOFZJPHXIHRH-JYFOCSDGSA-N	-2	1	500.648	4.122	50	0		KIAAML
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000003217592	552308376	/nfs/dbraw/zinc/30/83/76/552308376.db2.gz	DBFUZTOODBWJAQ-UHFFFAOYSA-N	-2	1	577.566	4.349	50	0		KIAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc2)cc1	ZINC000003226851	552313109	/nfs/dbraw/zinc/31/31/09/552313109.db2.gz	KEWRSJSSTXKTQW-UHFFFAOYSA-N	-2	1	551.650	4.256	50	0		KIAAML
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)cc2)c1C	ZINC000003296828	552343454	/nfs/dbraw/zinc/34/34/54/552343454.db2.gz	BLGFMBYQJBRWLW-UHFFFAOYSA-N	-2	1	562.576	4.424	50	0		KIAAML
O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1	ZINC000006166198	552556644	/nfs/dbraw/zinc/55/66/44/552556644.db2.gz	ATCVZPOBYLDLGZ-UHFFFAOYSA-N	-2	1	522.320	4.043	50	0		KIAAML
CCOC(=O)c1[n-]n(C(=O)Nc2cccc(C(F)(F)F)c2)c2c([O-])n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000008653810	553108107	/nfs/dbraw/zinc/10/81/07/553108107.db2.gz	DIPSFOURDMCEPY-DOTOQJQBSA-N	-2	1	542.392	4.049	50	0		KIAAML
COc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2N2CCCCC2)cc1	ZINC000012546629	553391594	/nfs/dbraw/zinc/39/15/94/553391594.db2.gz	IIZPGBYTELZDGU-UHFFFAOYSA-N	-2	1	507.659	4.349	50	0		KIAAML
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000012564434	553396263	/nfs/dbraw/zinc/39/62/63/553396263.db2.gz	PEEOOJNRWSYGQJ-UHFFFAOYSA-N	-2	1	500.476	4.005	50	0		KIAAML
O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1	ZINC000013562409	553472095	/nfs/dbraw/zinc/47/20/95/553472095.db2.gz	SUQOFZJPHXIHRH-WHYMJUELSA-N	-2	1	500.648	4.122	50	0		KIAAML
CCCC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)(C(F)(F)F)C(F)(F)F	ZINC000027572721	553835215	/nfs/dbraw/zinc/83/52/15/553835215.db2.gz	CMEUDDCKJIUUPP-UHFFFAOYSA-N	-2	1	502.437	4.241	50	0		KIAAML
COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2)CC1	ZINC000032985159	553885550	/nfs/dbraw/zinc/88/55/50/553885550.db2.gz	MOLYOJIRYKEAAT-UHFFFAOYSA-N	-2	1	518.595	4.069	50	0		KIAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985200	553885527	/nfs/dbraw/zinc/88/55/27/553885527.db2.gz	VDMMDOYTIYIBCD-UHFFFAOYSA-N	-2	1	517.611	4.072	50	0		KIAAML
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985289	553886291	/nfs/dbraw/zinc/88/62/91/553886291.db2.gz	DSWYLIFIIAEZIH-UHFFFAOYSA-N	-2	1	517.611	4.072	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21	ZINC000033256322	553915097	/nfs/dbraw/zinc/91/50/97/553915097.db2.gz	OEDYSJQQDMBXPL-UHFFFAOYSA-N	-2	1	506.559	4.200	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21	ZINC000033256333	553915220	/nfs/dbraw/zinc/91/52/20/553915220.db2.gz	ATLLJJFLQPAASE-UHFFFAOYSA-N	-2	1	506.559	4.200	50	0		KIAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000033256348	553915252	/nfs/dbraw/zinc/91/52/52/553915252.db2.gz	MEXFVDMRABXQHE-UHFFFAOYSA-N	-2	1	502.596	4.369	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21	ZINC000033256375	553915524	/nfs/dbraw/zinc/91/55/24/553915524.db2.gz	NYOWUCHYLAOCSC-UHFFFAOYSA-N	-2	1	506.559	4.200	50	0		KIAAML
Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1	ZINC000033256379	553915641	/nfs/dbraw/zinc/91/56/41/553915641.db2.gz	ANRVFHCOTHLEPC-UHFFFAOYSA-N	-2	1	502.596	4.369	50	0		KIAAML
Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000033256393	553915578	/nfs/dbraw/zinc/91/55/78/553915578.db2.gz	QHBUBYKBRPUZGN-UHFFFAOYSA-N	-2	1	502.596	4.369	50	0		KIAAML
COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)CCC(=O)[O-]	ZINC000035684040	554062924	/nfs/dbraw/zinc/06/29/24/554062924.db2.gz	IGXFSQKQQMDHLJ-QHCPKHFHSA-N	-2	1	507.568	4.039	50	0		KIAAML
COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)CCC(=O)[O-]	ZINC000035684041	554062942	/nfs/dbraw/zinc/06/29/42/554062942.db2.gz	IGXFSQKQQMDHLJ-HSZRJFAPSA-N	-2	1	507.568	4.039	50	0		KIAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1	ZINC000059630885	554416330	/nfs/dbraw/zinc/41/63/30/554416330.db2.gz	BPGQTFMRMFDNEF-UHFFFAOYSA-N	-2	1	528.637	4.305	50	0		KIAAML
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000072104192	553640367	/nfs/dbraw/zinc/64/03/67/553640367.db2.gz	CKQZZJODUGVELP-UHFFFAOYSA-N	-3	1	555.428	4.148	50	0		KIAAML
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCC(=O)[O-])c(OC)c2)cc1	ZINC000085879749	553690108	/nfs/dbraw/zinc/69/01/08/553690108.db2.gz	NADACZVNVSKPAW-KRWDZBQOSA-N	-2	1	518.474	4.087	50	0	biogenic	KIAAML
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCC(=O)[O-])c(OC)c2)cc1	ZINC000085879754	553690042	/nfs/dbraw/zinc/69/00/42/553690042.db2.gz	NADACZVNVSKPAW-QGZVFWFLSA-N	-2	1	518.474	4.087	50	0	biogenic	KIAAML
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc([N-]S(=O)(=O)c2cccs2)cc([N-]S(=O)(=O)c2cccs2)c1	ZINC000096022290	553720803	/nfs/dbraw/zinc/72/08/03/553720803.db2.gz	OPUODJRECMPKDU-UHFFFAOYSA-N	-2	1	676.805	4.254	50	0		KIAAML
O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1	ZINC000097940283	553764339	/nfs/dbraw/zinc/76/43/39/553764339.db2.gz	TULDKHMZBULOCR-UHFFFAOYSA-N	-2	1	522.320	4.043	50	0		KIAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2)cc1	ZINC000097977090	553974056	/nfs/dbraw/zinc/97/40/56/553974056.db2.gz	TYMDJYFOHGNHNR-UHFFFAOYSA-N	-3	1	552.586	4.352	50	0		KIAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(Br)cc1	ZINC000097981280	553992583	/nfs/dbraw/zinc/99/25/83/553992583.db2.gz	OOFLOAONOFJZNW-UHFFFAOYSA-N	-2	1	525.402	4.057	50	0		KIAAML
CCOc1ccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2C)cc1Br	ZINC000097981282	553992631	/nfs/dbraw/zinc/99/26/31/553992631.db2.gz	HSBGBRJUWDBLTF-UHFFFAOYSA-N	-2	1	569.455	4.456	50	0		KIAAML
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000097982927	554006645	/nfs/dbraw/zinc/00/66/45/554006645.db2.gz	GGMMFOLLTDIRIV-UHFFFAOYSA-N	-2	1	594.509	4.382	50	0		KIAAML
CCOC(=O)c1[n-]n(C(=O)Nc2cccc(C(F)(F)F)c2)c2c([O-])n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914098	554519334	/nfs/dbraw/zinc/51/93/34/554519334.db2.gz	DIPSFOURDMCEPY-NVXWUHKLSA-N	-2	1	542.392	4.049	50	0		KIAAML
CCOC(=O)c1[n-]n(C(=O)Nc2cccc(C(F)(F)F)c2)c2c([O-])n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914099	554519360	/nfs/dbraw/zinc/51/93/60/554519360.db2.gz	DIPSFOURDMCEPY-WBVHZDCISA-N	-2	1	542.392	4.049	50	0		KIAAML
CCOC(=O)c1[n-]n(C(=O)Nc2cccc(C(F)(F)F)c2)c2c([O-])n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914100	554519389	/nfs/dbraw/zinc/51/93/89/554519389.db2.gz	DIPSFOURDMCEPY-RDJZCZTQSA-N	-2	1	542.392	4.049	50	0		KIAAML
CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc([N-]S(=O)(=O)c5cccc(F)c5)ccc4n3)CC2)cc1	ZINC000101622496	554809897	/nfs/dbraw/zinc/80/98/97/554809897.db2.gz	CTOKNJLAJUTBRK-UHFFFAOYSA-N	-2	1	548.596	4.402	50	0		KIAAML
CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc([N-]S(=O)(=O)c5ccc(F)cc5)ccc4n3)CC2)cc1	ZINC000101622508	554809986	/nfs/dbraw/zinc/80/99/86/554809986.db2.gz	RDFZZQMMJKKQOH-UHFFFAOYSA-N	-2	1	548.596	4.402	50	0		KIAAML
CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc([N-]S(=O)(=O)c5ccccc5)ccc4n3)CC2)cc1	ZINC000101622520	554810032	/nfs/dbraw/zinc/81/00/32/554810032.db2.gz	GSHJOBGYXRMKON-UHFFFAOYSA-N	-2	1	530.606	4.263	50	0		KIAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000101628374	554811445	/nfs/dbraw/zinc/81/14/45/554811445.db2.gz	HKLPOMJZTUBZLN-LJQANCHMSA-N	-2	1	538.670	4.493	50	0		KIAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000101628377	554811431	/nfs/dbraw/zinc/81/14/31/554811431.db2.gz	HKLPOMJZTUBZLN-IBGZPJMESA-N	-2	1	538.670	4.493	50	0		KIAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000101628388	554811370	/nfs/dbraw/zinc/81/13/70/554811370.db2.gz	DWRQQNDXMUPJEU-UHFFFAOYSA-N	-2	1	530.606	4.263	50	0		KIAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000101628393	554811479	/nfs/dbraw/zinc/81/14/79/554811479.db2.gz	JDWPKFVMZOIART-UHFFFAOYSA-N	-2	1	548.596	4.402	50	0		KIAAML
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000101873364	554845738	/nfs/dbraw/zinc/84/57/38/554845738.db2.gz	NKAZBGKBTYSWIM-UHFFFAOYSA-N	-2	1	546.653	4.049	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21	ZINC000102314037	554910202	/nfs/dbraw/zinc/91/02/02/554910202.db2.gz	IJKRKQMMHJOCCZ-UHFFFAOYSA-N	-2	1	524.549	4.339	50	0		KIAAML
COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2)CC1	ZINC000102314042	554910215	/nfs/dbraw/zinc/91/02/15/554910215.db2.gz	DVEMDOAZSKAEAW-UHFFFAOYSA-N	-2	1	536.585	4.208	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21	ZINC000102314055	554910291	/nfs/dbraw/zinc/91/02/91/554910291.db2.gz	HSJPYZGMKZZPKU-UHFFFAOYSA-N	-2	1	524.549	4.339	50	0		KIAAML
COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1OC	ZINC000102314299	554910578	/nfs/dbraw/zinc/91/05/78/554910578.db2.gz	FTVNATUJRJXJCF-UHFFFAOYSA-N	-2	1	548.621	4.078	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21	ZINC000102314537	554910826	/nfs/dbraw/zinc/91/08/26/554910826.db2.gz	WZZZKPOWQOAGJA-UHFFFAOYSA-N	-2	1	524.549	4.339	50	0		KIAAML
COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(F)c4)ccc3n2)CC1	ZINC000102314540	554910840	/nfs/dbraw/zinc/91/08/40/554910840.db2.gz	NCCVJXHVYNQHDD-UHFFFAOYSA-N	-2	1	536.585	4.208	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21	ZINC000102314549	554910820	/nfs/dbraw/zinc/91/08/20/554910820.db2.gz	RMJOFVCIHIVTJX-UHFFFAOYSA-N	-2	1	524.549	4.339	50	0		KIAAML
COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4C)ccc3n2)CC1	ZINC000102314598	554911122	/nfs/dbraw/zinc/91/11/22/554911122.db2.gz	KMLISRICQSZALF-UHFFFAOYSA-N	-2	1	532.622	4.377	50	0		KIAAML
O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc21	ZINC000102314734	554911084	/nfs/dbraw/zinc/91/10/84/554911084.db2.gz	USDJSXONBPQJLV-UHFFFAOYSA-N	-2	1	524.549	4.339	50	0		KIAAML
COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(C)c4)ccc3n2)CC1	ZINC000102314801	554911338	/nfs/dbraw/zinc/91/13/38/554911338.db2.gz	GFLCVOPRJVUDIM-UHFFFAOYSA-N	-2	1	532.622	4.377	50	0		KIAAML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(N3CCN(c4ccccn4)CC3)cc(C(=O)[O-])c2c1	ZINC000102314819	554911284	/nfs/dbraw/zinc/91/12/84/554911284.db2.gz	PISQWGPNKGZTID-UHFFFAOYSA-N	-2	1	538.029	4.417	50	0		KIAAML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc2)cc1	ZINC000103002191	555201720	/nfs/dbraw/zinc/20/17/20/555201720.db2.gz	FIJDYTYPMCFYPQ-UHFFFAOYSA-N	-2	1	581.676	4.346	50	0		KIAAML
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1	ZINC000150448744	571501788	/nfs/dbraw/zinc/50/17/88/571501788.db2.gz	MTEAYZHDFWAJHJ-UHFFFAOYSA-N	-2	1	628.754	4.447	50	0		KIAAML
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)ccc2N2CCOCC2)cc1	ZINC000150449535	571502048	/nfs/dbraw/zinc/50/20/48/571502048.db2.gz	LXKLZGCADUNAOA-UHFFFAOYSA-N	-2	1	628.754	4.447	50	0		KIAAML