smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1cc2c(cc1S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc1ccc(C(=O)Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)cc1)C2=O	ZINC000263595681	1071323298	/nfs/dbraw/zinc/32/32/98/1071323298.db2.gz	DVROPABFANSCGB-UHFFFAOYSA-N	-3	1	768.764	6.327	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(O)=C4C(=O)C=C(S(=O)(=O)[O-])C=C4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000095101007	553699893	/nfs/dbraw/zinc/69/98/93/553699893.db2.gz	VKYPCMAKLFPTTC-ATXIYDNESA-N	-3	1	778.799	7.965	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c([O-])cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000095101007	553699896	/nfs/dbraw/zinc/69/98/96/553699896.db2.gz	VKYPCMAKLFPTTC-ATXIYDNESA-N	-4	1	778.799	7.965	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C(=O)c6c(N)cc(S(=O)(=O)[O-])cc6C=C5S(=O)(=O)[O-])cc4)cc3)c(O)c2c1	ZINC000095101027	553700172	/nfs/dbraw/zinc/70/01/72/553700172.db2.gz	JDKKCKKFTIMFFD-ATXIYDNESA-N	-3	1	764.776	6.807	40	10		KKCBML
Nc1cccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3cc2S(=O)(=O)[O-])c1	ZINC000095538236	553703051	/nfs/dbraw/zinc/70/30/51/553703051.db2.gz	PBUWOKNWPFTLNR-QYGUTFKISA-N	-2	1	742.752	7.537	40	10		KKCBML
CCOc1cc(-c2ccc(N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-]	ZINC000095549160	553703662	/nfs/dbraw/zinc/70/36/62/553703662.db2.gz	PTQVNAIKTPZSKK-HVMBLDELSA-N	-2	1	728.765	7.959	40	10		KKCBML
Nc1ccc(N=Nc2ccc(S(=O)(=O)[N-]c3ccc(N=Nc4c(N)c5c(cc4S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3)cc2)c(N)c1	ZINC000097950095	553803408	/nfs/dbraw/zinc/80/34/08/553803408.db2.gz	ZCJMFVUTNJRMFR-MGDYUOCISA-N	-3	1	816.860	7.832	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)c2O)c1ccccc1	ZINC000033352874	553922573	/nfs/dbraw/zinc/92/25/73/553922573.db2.gz	IGXZMQCLUNTWCC-HSBKYFPUSA-N	-2	1	631.648	7.122	40	10	in-vitro	KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5ccc(Nc6ccccc6)cc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150368152	571465281	/nfs/dbraw/zinc/46/52/81/571465281.db2.gz	RZAHKAAVHNDUQR-HVMBLDELSA-N	-2	1	659.680	9.437	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000150485063	571515625	/nfs/dbraw/zinc/51/56/25/571515625.db2.gz	DLXYNWYHZXKBET-DQAYTMIDSA-N	-2	1	617.534	5.268	40	10		KKCBML
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1[N-]S(C)(=O)=O	ZINC000225484087	571854731	/nfs/dbraw/zinc/85/47/31/571854731.db2.gz	ACOCMVFRYPTQSK-IZLXSDGUSA-N	-2	1	605.742	5.053	40	10		KKCBML
O=S(=O)([N-]c1cc(S(=O)(=O)c2ccc(Cl)cc2)c([O-])c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1	ZINC000103528240	1069709861	/nfs/dbraw/zinc/70/98/61/1069709861.db2.gz	SMKOEYYRWPNFHQ-UHFFFAOYSA-N	-2	1	598.507	5.165	40	10		KKCBML
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)c(Br)c1[O-]	ZINC000408858639	1069746766	/nfs/dbraw/zinc/74/67/66/1069746766.db2.gz	ZWBKOZJFPOFUHN-AWQFTUOYSA-N	-2	1	630.333	6.060	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000004523174	552462864	/nfs/dbraw/zinc/46/28/64/552462864.db2.gz	SUCVNJJGJQUCBI-HVMBLDELSA-N	-2	1	710.750	8.166	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000095548773	553703554	/nfs/dbraw/zinc/70/35/54/553703554.db2.gz	AICLBRRCLVJTST-HVMBLDELSA-N	-3	1	792.830	7.423	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104221484	571377098	/nfs/dbraw/zinc/37/70/98/571377098.db2.gz	LBGIGKKBCWDMBD-UOALMSBLSA-N	-2	1	619.637	6.824	40	10		KKCBML
O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3c(O)cc(S(=O)(=O)[O-])cc3c1)C2=O)c1ccccc1	ZINC000104367230	571379597	/nfs/dbraw/zinc/37/95/97/571379597.db2.gz	PMEOFEZYPUQMMU-FLWNBWAVSA-N	-2	1	593.595	5.565	40	10		KKCBML
Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc2ccc([N+](=O)[O-])cc2)C3=O)cc1	ZINC000104367082	571379633	/nfs/dbraw/zinc/37/96/33/571379633.db2.gz	PHLREJXSYVJPII-MPCWFZQZSA-N	-2	1	586.564	5.668	40	10		KKCBML
CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3C=C2S(=O)(=O)[O-])cc1	ZINC000150347502	571460877	/nfs/dbraw/zinc/46/08/77/571460877.db2.gz	ICIJDHUPWYQXGB-FSVNFQGMSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000150347502	571460878	/nfs/dbraw/zinc/46/08/78/571460878.db2.gz	ICIJDHUPWYQXGB-FSVNFQGMSA-N	-2	1	769.774	8.331	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(Cl)c(S(=O)(=O)[O-])c1)C2=O	ZINC000150475552	571510743	/nfs/dbraw/zinc/51/07/43/571510743.db2.gz	IVGQIOQQLWMTMG-XVIRNCMOSA-N	-2	1	695.135	7.666	40	10		KKCBML
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)c3O)c1	ZINC000150476873	571511097	/nfs/dbraw/zinc/51/10/97/571511097.db2.gz	VZJYJZHUIYBXJP-VPHDGDOJSA-N	-2	1	646.663	6.704	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c([O-])c12	ZINC000150485093	571515623	/nfs/dbraw/zinc/51/56/23/571515623.db2.gz	RGYWIKUGSVUCPT-UOALMSBLSA-N	-3	1	664.634	6.733	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000150485066	571515632	/nfs/dbraw/zinc/51/56/32/571515632.db2.gz	DLXYNWYHZXKBET-KEWZEWDVSA-N	-2	1	617.534	5.268	40	10		KKCBML
O=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000150629651	571524057	/nfs/dbraw/zinc/52/40/57/571524057.db2.gz	XKXJRPAWMFZKDW-IZRQRQPJSA-N	-3	1	825.859	9.386	40	10		KKCBML
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000408947263	1071263226	/nfs/dbraw/zinc/26/32/26/1071263226.db2.gz	BMRATFSCDPBRCJ-ZVBGSRNCSA-N	-2	1	600.307	6.051	40	10		KKCBML
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1[O-]	ZINC000409107011	1072340179	/nfs/dbraw/zinc/34/01/79/1072340179.db2.gz	PROHMWMMNQUAAF-RMKNXTFCSA-N	-2	1	579.028	5.289	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1	ZINC000068601127	553592366	/nfs/dbraw/zinc/59/23/66/553592366.db2.gz	OKRYVJRSHSURIS-FMWAKIAMSA-N	-3	1	583.582	7.276	40	10		KKCBML
O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2/N=N\c1ccc(Nc2ccccc2)c2c1cccc2S(=O)(=O)[O-]	ZINC000072186730	553645751	/nfs/dbraw/zinc/64/57/51/553645751.db2.gz	QFVHZQCOUORWEI-ZIADKAODSA-N	-4	1	629.650	5.598	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)c2O)c1ccccc1	ZINC000095670621	553707050	/nfs/dbraw/zinc/70/70/50/553707050.db2.gz	IGXZMQCLUNTWCC-QUVVFHLXSA-N	-2	1	631.648	7.122	40	10		KKCBML
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c(OC)c1	ZINC000058849300	554368885	/nfs/dbraw/zinc/36/88/85/554368885.db2.gz	QVQYUHXQAWIZOC-LZCXECNNSA-N	-2	1	506.580	5.029	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1	ZINC000104135484	571374614	/nfs/dbraw/zinc/37/46/14/571374614.db2.gz	OKRYVJRSHSURIS-WANSBIPISA-N	-3	1	583.582	7.276	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150366665	571464887	/nfs/dbraw/zinc/46/48/87/571464887.db2.gz	YVWGWDRWIHADMC-WVCCOWEBSA-N	-3	1	777.815	7.841	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150478974	571511514	/nfs/dbraw/zinc/51/15/14/571511514.db2.gz	AICLBRRCLVJTST-NVXIXPEWSA-N	-2	1	792.830	7.423	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751816	571530546	/nfs/dbraw/zinc/53/05/46/571530546.db2.gz	JUZHUDZDLLHLEO-QHHXFVPXSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c([O-])cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751816	571530549	/nfs/dbraw/zinc/53/05/49/571530549.db2.gz	JUZHUDZDLLHLEO-QHHXFVPXSA-N	-3	1	769.774	8.331	40	10		KKCBML
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000108422974	1069716815	/nfs/dbraw/zinc/71/68/15/1069716815.db2.gz	SVLIRNUTVPWMSC-SDQBBNPISA-N	-2	1	558.610	5.474	40	10		KKCBML
O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000408940965	1071312057	/nfs/dbraw/zinc/31/20/57/1071312057.db2.gz	VZVVOOSWSBWZBB-GIJQJNRQSA-N	-2	1	517.752	5.598	40	10		KKCBML
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000408766298	1071720685	/nfs/dbraw/zinc/72/06/85/1071720685.db2.gz	BPIJTQUTZAWYRQ-ONNFQVAWSA-N	-2	1	568.527	5.256	40	10		KKCBML
[O-]c1ccc(Br)cc1-c1nc2cc3ccccc3cc2nc1-c1cc(Br)ccc1[O-]	ZINC000001704221	551689946	/nfs/dbraw/zinc/68/99/46/551689946.db2.gz	JMEWVNXFHAYSGL-UHFFFAOYSA-N	-2	1	522.196	7.053	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1	ZINC000095101003	553699882	/nfs/dbraw/zinc/69/98/82/553699882.db2.gz	MPTZYMIJXLJHHT-ATXIYDNESA-N	-3	1	684.712	7.560	40	10		KKCBML
CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O	ZINC000026787043	553821186	/nfs/dbraw/zinc/82/11/86/553821186.db2.gz	HPDXCFAICMPYCL-UHFFFAOYSA-N	-2	1	500.425	5.456	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1	ZINC000104135487	571374594	/nfs/dbraw/zinc/37/45/94/571374594.db2.gz	OKRYVJRSHSURIS-IUQQBYGBSA-N	-3	1	583.582	7.276	40	10		KKCBML
O=[N+]([O-])c1cc(Cl)cc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c1[O-]	ZINC000104221682	571377225	/nfs/dbraw/zinc/37/72/25/571377225.db2.gz	CNBWKGYULVCNBV-QPLCGJKRSA-N	-2	1	514.903	6.218	40	10		KKCBML
O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NN=C1C=CC(=NNc2ccccc2)C=C1	ZINC000104366405	571379570	/nfs/dbraw/zinc/37/95/70/571379570.db2.gz	JSULGLNYTBQZQY-HXEHWPEMSA-N	-2	1	512.525	5.870	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104367049	571379600	/nfs/dbraw/zinc/37/96/00/571379600.db2.gz	WGIIJSJDWAQMMF-RNDSACKQSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12	ZINC000150366735	571464842	/nfs/dbraw/zinc/46/48/42/571464842.db2.gz	LINZZVAECORMOM-JUVGSLAESA-N	-3	1	799.821	8.872	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000150388954	571471389	/nfs/dbraw/zinc/47/13/89/571471389.db2.gz	DLXYNWYHZXKBET-OWUYFMIJSA-N	-2	1	617.534	5.268	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150475602	571510661	/nfs/dbraw/zinc/51/06/61/571510661.db2.gz	SUCVNJJGJQUCBI-NGHPONOGSA-N	-2	1	710.750	8.166	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2ccc(N)cc2cc1S(=O)(=O)[O-]	ZINC000150476951	571511026	/nfs/dbraw/zinc/51/10/26/571511026.db2.gz	DAUWYVUKZMSMCP-PKJKGCPLSA-N	-2	1	729.749	7.995	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5cc(Nc6ccccc6)ccc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150476997	571511046	/nfs/dbraw/zinc/51/10/46/571511046.db2.gz	GNBQDUZSFCDONM-YKSAKOAQSA-N	-2	1	659.680	9.437	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C(=O)c4cc(O)c(C(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150570505	571521352	/nfs/dbraw/zinc/52/13/52/571521352.db2.gz	ISDJYMKMTCNNEJ-NFSGFYSESA-N	-3	1	774.742	7.816	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C(=O)c4cc(O)c(C(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150570496	571521383	/nfs/dbraw/zinc/52/13/83/571521383.db2.gz	ISDJYMKMTCNNEJ-VAXAQTQESA-N	-3	1	774.742	7.816	40	10		KKCBML
CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000150629536	571523803	/nfs/dbraw/zinc/52/38/03/571523803.db2.gz	OFEWTTHURUAVAY-NELHQWCOSA-N	-2	1	651.679	7.012	40	10		KKCBML
CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000150629543	571523885	/nfs/dbraw/zinc/52/38/85/571523885.db2.gz	OFEWTTHURUAVAY-HSBKYFPUSA-N	-2	1	651.679	7.012	40	10		KKCBML
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1[O-]	ZINC000164330969	571545738	/nfs/dbraw/zinc/54/57/38/571545738.db2.gz	SWQAPDPFKLMJJI-NKVSQWTQSA-N	-2	1	647.307	5.894	40	10		KKCBML
Cc1cccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccc6cc(S(=O)(=O)[O-])ccc6c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1	ZINC000261119155	572098882	/nfs/dbraw/zinc/09/88/82/572098882.db2.gz	JHNPNFGCYLLNGG-UHFFFAOYSA-N	-3	1	856.873	9.081	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(Cl)c(S(=O)(=O)[O-])c1)C2=O	ZINC000004523171	552462869	/nfs/dbraw/zinc/46/28/69/552462869.db2.gz	IVGQIOQQLWMTMG-VHJMTFITSA-N	-2	1	695.135	7.666	40	10		KKCBML
NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+][N-]c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000004707587	552472284	/nfs/dbraw/zinc/47/22/84/552472284.db2.gz	FAVWUHVDBDLERC-JQRDNDPDSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC([O-])=CC4=O)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389511	571380034	/nfs/dbraw/zinc/38/00/34/571380034.db2.gz	GLVLQKSQNZQNGF-BLTPOFBISA-N	-4	1	612.598	6.004	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389511	571380035	/nfs/dbraw/zinc/38/00/35/571380035.db2.gz	GLVLQKSQNZQNGF-BLTPOFBISA-N	-4	1	612.598	6.004	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)c2O)c1ccccc1	ZINC000150364509	571464481	/nfs/dbraw/zinc/46/44/81/571464481.db2.gz	IGXZMQCLUNTWCC-NELHQWCOSA-N	-2	1	631.648	7.122	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C(=O)c6c(N)cc(S(=O)(=O)[O-])cc6C=C5S(=O)(=O)[O-])cc4)cc3)c(O)c2c1	ZINC000150366657	571464882	/nfs/dbraw/zinc/46/48/82/571464882.db2.gz	JDKKCKKFTIMFFD-IECPAEGSSA-N	-3	1	764.776	6.807	40	10		KKCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000150366763	571464885	/nfs/dbraw/zinc/46/48/85/571464885.db2.gz	NSBAFKVLNXVWEI-CNODSYGASA-N	-3	1	695.761	10.233	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc(/N=N\c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c2ccccc12	ZINC000150368102	571465235	/nfs/dbraw/zinc/46/52/35/571465235.db2.gz	KWKWHGVUTWRHDN-ONGLXRPXSA-N	-2	1	710.750	8.166	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(O)=C4C(=O)C=C(S(=O)(=O)[O-])C=C4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386624	571469337	/nfs/dbraw/zinc/46/93/37/571469337.db2.gz	VKYPCMAKLFPTTC-JXPYRENWSA-N	-4	1	778.799	7.965	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c([O-])cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386624	571469339	/nfs/dbraw/zinc/46/93/39/571469339.db2.gz	VKYPCMAKLFPTTC-JXPYRENWSA-N	-4	1	778.799	7.965	40	10		KKCBML
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)c3O)c1	ZINC000150476864	571511060	/nfs/dbraw/zinc/51/10/60/571511060.db2.gz	VZJYJZHUIYBXJP-ATKLANMESA-N	-2	1	646.663	6.704	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c([O-])c12	ZINC000150485095	571515577	/nfs/dbraw/zinc/51/55/77/571515577.db2.gz	RGYWIKUGSVUCPT-QTDLIUEZSA-N	-3	1	664.634	6.733	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150485662	571516112	/nfs/dbraw/zinc/51/61/12/571516112.db2.gz	IVIZYDSICQSNIS-JLFLTYEOSA-N	-2	1	829.873	9.418	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N\c1ccc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1	ZINC000150552416	571520790	/nfs/dbraw/zinc/52/07/90/571520790.db2.gz	KXXRNNGEMNIAFA-JXPYRENWSA-N	-3	1	668.713	7.854	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N\c1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1	ZINC000150552422	571520801	/nfs/dbraw/zinc/52/08/01/571520801.db2.gz	KXXRNNGEMNIAFA-IECPAEGSSA-N	-3	1	668.713	7.854	40	10		KKCBML
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1[N-]S(C)(=O)=O	ZINC000225484050	571854687	/nfs/dbraw/zinc/85/46/87/571854687.db2.gz	ACOCMVFRYPTQSK-NSOVKSMOSA-N	-2	1	605.742	5.053	40	10		KKCBML
[O-]c1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2nc1-c1cc(Br)ccc1[O-]	ZINC000001655677	551688084	/nfs/dbraw/zinc/68/80/84/551688084.db2.gz	AKLCHWQEWHEXQO-UHFFFAOYSA-N	-2	1	541.026	7.207	40	10		KKCBML
Nc1c(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(C=Cc3ccccc3)c([O-])c12	ZINC000004235566	552451510	/nfs/dbraw/zinc/45/15/10/552451510.db2.gz	QVKNZQPALPOHDK-BALBCCAZSA-N	-3	1	721.773	8.995	40	10		KKCBML
Nc1ccc2c(c1)C(=O)C(=NNc1ccc(N=Nc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000095101028	553700137	/nfs/dbraw/zinc/70/01/37/553700137.db2.gz	GKDDGAAABHSGRK-WXBFSDFVSA-N	-2	1	642.675	7.340	40	10		KKCBML
Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=[NH+][N-]c1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2	ZINC000104323895	571379117	/nfs/dbraw/zinc/37/91/17/571379117.db2.gz	LTUMHABOUUZCLG-GILIAAGRSA-N	-2	1	577.600	6.605	40	10		KKCBML
NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+][N-]c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104388992	571379858	/nfs/dbraw/zinc/37/98/58/571379858.db2.gz	FAVWUHVDBDLERC-DYORGOFNSA-N	-2	1	527.540	5.452	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C(=O)c6c(N)cc(S(=O)(=O)[O-])cc6C=C5S(=O)(=O)[O-])cc4)cc3)c(O)c2c1	ZINC000150366655	571464734	/nfs/dbraw/zinc/46/47/34/571464734.db2.gz	JDKKCKKFTIMFFD-LYERXDRPSA-N	-3	1	764.776	6.807	40	10		KKCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000150366769	571464844	/nfs/dbraw/zinc/46/48/44/571464844.db2.gz	NSBAFKVLNXVWEI-IZRQRQPJSA-N	-3	1	695.761	10.233	40	10		KKCBML
CCOc1cc(-c2ccc(N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-]	ZINC000150474848	571510665	/nfs/dbraw/zinc/51/06/65/571510665.db2.gz	PTQVNAIKTPZSKK-YKSAKOAQSA-N	-2	1	728.765	7.959	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000150485058	571515616	/nfs/dbraw/zinc/51/56/16/571515616.db2.gz	DLXYNWYHZXKBET-DSOYXUETSA-N	-2	1	617.534	5.268	40	10		KKCBML
O=C(Nc1ccc2cc(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O	ZINC000150629640	571523818	/nfs/dbraw/zinc/52/38/18/571523818.db2.gz	VZXOULZAUPQVKM-CNODSYGASA-N	-3	1	826.847	9.067	40	10		KKCBML
CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000150629539	571523890	/nfs/dbraw/zinc/52/38/90/571523890.db2.gz	OFEWTTHURUAVAY-DRCJXRCRSA-N	-2	1	651.679	7.012	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751549	571530530	/nfs/dbraw/zinc/53/05/30/571530530.db2.gz	JUZHUDZDLLHLEO-FSVNFQGMSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c([O-])cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751549	571530534	/nfs/dbraw/zinc/53/05/34/571530534.db2.gz	JUZHUDZDLLHLEO-FSVNFQGMSA-N	-3	1	769.774	8.331	40	10		KKCBML
Cc1ccc(Nc2ccc(/N=N/c3cc(S(=O)(=O)[O-])cc4c(S(=O)(=O)[O-])ccc(O)c34)c3cccc(S(=O)(=O)[O-])c23)cc1	ZINC000004235519	552451477	/nfs/dbraw/zinc/45/14/77/552451477.db2.gz	GBKNFOQXCKINKX-QVIHXGFCSA-N	-3	1	643.677	5.906	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)C=CC1=O	ZINC000004523170	552462816	/nfs/dbraw/zinc/46/28/16/552462816.db2.gz	ORQRLXUMXSQHJV-FMWAKIAMSA-N	-3	1	583.582	7.770	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2ccc(N)cc2cc1S(=O)(=O)[O-]	ZINC000095544771	553703401	/nfs/dbraw/zinc/70/34/01/553703401.db2.gz	DAUWYVUKZMSMCP-NFSGFYSESA-N	-2	1	729.749	7.995	40	10		KKCBML
Cc1cc(C)c(N=Nc2cc(C)c(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1	ZINC000033352972	553922601	/nfs/dbraw/zinc/92/26/01/553922601.db2.gz	AVGNPNVKTQEJNK-VHJMTFITSA-N	-2	1	659.746	8.847	40	10		KKCBML
COc1cc(C=C2SC(Nc3ccc(Cl)c(C(=O)[O-])c3)=NC2=O)c(Br)c(Br)c1[O-]	ZINC000038144619	554266100	/nfs/dbraw/zinc/26/61/00/554266100.db2.gz	IKFUZLXDBMLEGG-XGICHPGQSA-N	-2	1	562.623	5.360	40	10		KKCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(C=Cc4nc5ccccc5[nH]4)cc3)c(O)c12	ZINC000100367531	554353827	/nfs/dbraw/zinc/35/38/27/554353827.db2.gz	YFCPNBURVWUWDE-JXKQGWSASA-N	-2	1	565.589	5.083	40	10		KKCBML
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c(OC)c1	ZINC000058849338	554368846	/nfs/dbraw/zinc/36/88/46/554368846.db2.gz	FOABDQFVBKTMNU-ANSQWYIGSA-N	-2	1	506.580	5.029	40	10		KKCBML
O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NN=C1C=CC(=NNc2ccccc2)C=C1	ZINC000104366396	571379549	/nfs/dbraw/zinc/37/95/49/571379549.db2.gz	JSULGLNYTBQZQY-RUFRKCMOSA-N	-2	1	512.525	5.870	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)C=CC1=O	ZINC000104367285	571379658	/nfs/dbraw/zinc/37/96/58/571379658.db2.gz	ORQRLXUMXSQHJV-IUQQBYGBSA-N	-3	1	583.582	7.770	40	10		KKCBML
NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+][N-]c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104388987	571379892	/nfs/dbraw/zinc/37/98/92/571379892.db2.gz	FAVWUHVDBDLERC-OUYNTLDRSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)c2O)c1ccccc1	ZINC000150364511	571464435	/nfs/dbraw/zinc/46/44/35/571464435.db2.gz	IGXZMQCLUNTWCC-DRCJXRCRSA-N	-2	1	631.648	7.122	40	10		KKCBML
Cc1cc(C)c(N=Nc2cc(C)c(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1	ZINC000150476908	571511040	/nfs/dbraw/zinc/51/10/40/571511040.db2.gz	AVGNPNVKTQEJNK-QYQVJVQQSA-N	-2	1	659.746	8.847	40	10		KKCBML
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-]	ZINC000150476968	571511052	/nfs/dbraw/zinc/51/10/52/571511052.db2.gz	OJWWQROAEXSSTO-VAXAQTQESA-N	-3	1	793.814	8.036	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5cc(Nc6ccccc6)ccc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150477000	571511201	/nfs/dbraw/zinc/51/12/01/571511201.db2.gz	GNBQDUZSFCDONM-NGHPONOGSA-N	-2	1	659.680	9.437	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5cc(Nc6ccccc6)ccc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150477003	571511295	/nfs/dbraw/zinc/51/12/95/571511295.db2.gz	GNBQDUZSFCDONM-NVXIXPEWSA-N	-2	1	659.680	9.437	40	10		KKCBML
Cc1ccccc1NN=C1C=CC(=NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])C(C)=C1	ZINC000150485387	571515770	/nfs/dbraw/zinc/51/57/70/571515770.db2.gz	CLJQREPWTVFCEV-CAPOPURQSA-N	-2	1	704.703	8.392	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150485657	571516105	/nfs/dbraw/zinc/51/61/05/571516105.db2.gz	IVIZYDSICQSNIS-NTMZJGNDSA-N	-2	1	829.873	9.418	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C(=O)c4cc(O)c(C(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150570491	571521308	/nfs/dbraw/zinc/52/13/08/571521308.db2.gz	ISDJYMKMTCNNEJ-PKJKGCPLSA-N	-3	1	774.742	7.816	40	10		KKCBML
O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O	ZINC000261145888	572103098	/nfs/dbraw/zinc/10/30/98/572103098.db2.gz	NWOCDYDZTXIFOD-UHFFFAOYSA-N	-3	1	842.846	8.772	40	10		KKCBML
O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(Nc2ccccc2)c2c1cccc2S(=O)(=O)[O-]	ZINC000257076956	572305865	/nfs/dbraw/zinc/30/58/65/572305865.db2.gz	QFVHZQCOUORWEI-UHFFFAOYSA-N	-4	1	629.650	5.598	40	10		KKCBML
O=[N+]([O-])c1cc(Cl)cc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c1[O-]	ZINC000025694442	553813068	/nfs/dbraw/zinc/81/30/68/553813068.db2.gz	CNBWKGYULVCNBV-OCEACIFDSA-N	-2	1	514.903	6.218	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c(O)c2c1	ZINC000104044311	571371668	/nfs/dbraw/zinc/37/16/68/571371668.db2.gz	IRGWFPQSVKCDEC-UGNJQGKKSA-N	-2	1	583.582	7.276	40	10		KKCBML
Nc1ccc2c(O)c(N=Nc3ccc4c(O)c(N=Nc5c(Br)cc(Br)c6ccc(S(=O)(=O)[O-])cc65)c(S(=O)(=O)[O-])cc4c3)c(S(=O)(=O)[O-])cc2c1	ZINC000150341693	571458225	/nfs/dbraw/zinc/45/82/25/571458225.db2.gz	WDBYFLKQKSKNDL-XVIRNCMOSA-N	-3	1	881.515	8.236	40	10		KKCBML
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)[O-])c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150342618	571458720	/nfs/dbraw/zinc/45/87/20/571458720.db2.gz	WQWKYALNLSYERE-ZYZGVUGGSA-N	-3	1	708.708	7.128	40	10		KKCBML
CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3C=C2S(=O)(=O)[O-])cc1	ZINC000150347503	571460850	/nfs/dbraw/zinc/46/08/50/571460850.db2.gz	ICIJDHUPWYQXGB-QHHXFVPXSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000150347503	571460851	/nfs/dbraw/zinc/46/08/51/571460851.db2.gz	ICIJDHUPWYQXGB-QHHXFVPXSA-N	-2	1	769.774	8.331	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(Cl)c(S(=O)(=O)[O-])c1)C2=O	ZINC000150475548	571510736	/nfs/dbraw/zinc/51/07/36/571510736.db2.gz	IVGQIOQQLWMTMG-IRBDSUPESA-N	-2	1	695.135	7.666	40	10		KKCBML
Nc1cccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3cc2S(=O)(=O)[O-])c1	ZINC000150476926	571511049	/nfs/dbraw/zinc/51/10/49/571511049.db2.gz	PBUWOKNWPFTLNR-YGJLQQOCSA-N	-2	1	742.752	7.537	40	10		KKCBML
Cc1ccccc1NN=C1C=CC(=NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])C(C)=C1	ZINC000150485395	571515784	/nfs/dbraw/zinc/51/57/84/571515784.db2.gz	CLJQREPWTVFCEV-RFWSAXQQSA-N	-2	1	704.703	8.392	40	10		KKCBML
O=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000150629647	571523989	/nfs/dbraw/zinc/52/39/89/571523989.db2.gz	XKXJRPAWMFZKDW-IXGCDMPMSA-N	-3	1	825.859	9.386	40	10		KKCBML
O=c1c(NN=C2C=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=O)cc(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc([O-])c32)c(=O)c1=NNc1ccc([N+](=O)[O-])cc1	ZINC000263595370	572127544	/nfs/dbraw/zinc/12/75/44/572127544.db2.gz	DLFQBOOBABMDKU-UHFFFAOYSA-N	-3	1	799.625	7.126	40	10		KKCBML
O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NN=C1C=CC(=NNc2ccccc2)C=C1	ZINC000004803998	552486963	/nfs/dbraw/zinc/48/69/63/552486963.db2.gz	JSULGLNYTBQZQY-QSZPNPOGSA-N	-2	1	512.525	5.870	40	10		KKCBML
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12	ZINC000095101014	553699919	/nfs/dbraw/zinc/69/99/19/553699919.db2.gz	LINZZVAECORMOM-QYGUTFKISA-N	-3	1	799.821	8.872	40	10		KKCBML
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1-c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2c1O	ZINC000100970989	554543659	/nfs/dbraw/zinc/54/36/59/554543659.db2.gz	LRAMBRCZXUAXPP-UHFFFAOYSA-N	-2	1	544.589	5.738	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104221492	571377094	/nfs/dbraw/zinc/37/70/94/571377094.db2.gz	LBGIGKKBCWDMBD-DPNLOZQFSA-N	-2	1	619.637	6.824	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104221488	571377109	/nfs/dbraw/zinc/37/71/09/571377109.db2.gz	LBGIGKKBCWDMBD-QTDLIUEZSA-N	-2	1	619.637	6.824	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC([O-])=CC4=O)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389506	571379941	/nfs/dbraw/zinc/37/99/41/571379941.db2.gz	GLVLQKSQNZQNGF-ZFFYKNBQSA-N	-4	1	612.598	6.004	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389506	571379944	/nfs/dbraw/zinc/37/99/44/571379944.db2.gz	GLVLQKSQNZQNGF-ZFFYKNBQSA-N	-4	1	612.598	6.004	40	10		KKCBML
CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3C=C2S(=O)(=O)[O-])cc1	ZINC000150347504	571460919	/nfs/dbraw/zinc/46/09/19/571460919.db2.gz	ICIJDHUPWYQXGB-ITRZRYQLSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000150347504	571460920	/nfs/dbraw/zinc/46/09/20/571460920.db2.gz	ICIJDHUPWYQXGB-ITRZRYQLSA-N	-2	1	769.774	8.331	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150366661	571464839	/nfs/dbraw/zinc/46/48/39/571464839.db2.gz	YVWGWDRWIHADMC-PKJKGCPLSA-N	-3	1	777.815	7.841	40	10		KKCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000150366766	571464876	/nfs/dbraw/zinc/46/48/76/571464876.db2.gz	NSBAFKVLNXVWEI-IXGCDMPMSA-N	-3	1	695.761	10.233	40	10		KKCBML
CCOc1cc(-c2ccc(N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-]	ZINC000150474857	571510684	/nfs/dbraw/zinc/51/06/84/571510684.db2.gz	PTQVNAIKTPZSKK-NVXIXPEWSA-N	-2	1	728.765	7.959	40	10		KKCBML
O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O	ZINC000150475560	571510686	/nfs/dbraw/zinc/51/06/86/571510686.db2.gz	HIVSSNOQZTVJKW-KNWKATPGSA-N	-3	1	738.734	6.357	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(Cl)c(S(=O)(=O)[O-])c1)C2=O	ZINC000150475555	571510716	/nfs/dbraw/zinc/51/07/16/571510716.db2.gz	IVGQIOQQLWMTMG-QYQVJVQQSA-N	-2	1	695.135	7.666	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c([O-])c12	ZINC000150485097	571515618	/nfs/dbraw/zinc/51/56/18/571515618.db2.gz	RGYWIKUGSVUCPT-DPNLOZQFSA-N	-3	1	664.634	6.733	40	10		KKCBML
O=C(Nc1ccc2cc(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O	ZINC000150629644	571523846	/nfs/dbraw/zinc/52/38/46/571523846.db2.gz	VZXOULZAUPQVKM-JMAUFSLDSA-N	-3	1	826.847	9.067	40	10		KKCBML
Cc1ccc2nc(-c3ccc(NN=C4C(=O)c5ccc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)sc2c1	ZINC000299888627	572141610	/nfs/dbraw/zinc/14/16/10/572141610.db2.gz	QXYINOHLUDLCKU-UHFFFAOYSA-N	-2	1	555.615	6.039	40	10		KKCBML
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Cl)c(OC)c4)c3=O)cc2)cc1	ZINC000408535534	572188776	/nfs/dbraw/zinc/18/87/76/572188776.db2.gz	TVTMYIUFTKYAJN-KQWNVCNZSA-N	-2	1	541.029	5.267	40	10		KKCBML
Cc1ccccc1NN=C1C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)[O-])C(=NNc3ccc5cc(S(=O)(=O)[O-])ccc5c3)C4=O)cc2C=C1S(=O)(=O)[O-]	ZINC000257049073	572305869	/nfs/dbraw/zinc/30/58/69/572305869.db2.gz	MTYFLWBSAJJYJS-UHFFFAOYSA-N	-3	1	856.873	9.081	40	10		KKCBML
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1[O-]	ZINC000408956914	1071374778	/nfs/dbraw/zinc/37/47/78/1071374778.db2.gz	ZFXSCMJONABXCX-ZVBGSRNCSA-N	-2	1	602.856	5.784	40	10		KKCBML
Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(-c3ccc(NN=C4C(=O)c5ccc(N)cc5C=C4S(=O)(=O)[O-])cc3)cc1)c2O	ZINC001570006807	1073198166	/nfs/dbraw/zinc/19/81/66/1073198166.db2.gz	QAKXRULOCWWMQS-ATXIYDNESA-N	-2	1	684.712	7.560	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5ccc(N)cc5C=C4S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC001570006807	1073198169	/nfs/dbraw/zinc/19/81/69/1073198169.db2.gz	QAKXRULOCWWMQS-ATXIYDNESA-N	-2	1	684.712	7.560	40	10		KKCBML
O=S(=O)([O-])c1cc(/N=N/c2ccc(Nc3ccccc3)c3c2cccc3S(=O)(=O)[O-])c2c(O)ccc(S(=O)(=O)[O-])c2c1	ZINC000004235518	552451539	/nfs/dbraw/zinc/45/15/39/552451539.db2.gz	YKBZCOWYQXJNGR-ZQHSETAFSA-N	-3	1	629.650	5.598	40	10		KKCBML
Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=[NH+][N-]c1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2	ZINC000004366944	552458459	/nfs/dbraw/zinc/45/84/59/552458459.db2.gz	LTUMHABOUUZCLG-DUJDKOHPSA-N	-2	1	577.600	6.605	40	10		KKCBML
O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c4ccccc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000004758333	552476512	/nfs/dbraw/zinc/47/65/12/552476512.db2.gz	POZWNRJWLYUOAY-QSZPNPOGSA-N	-2	1	512.525	5.870	40	10		KKCBML
O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NN=C1C=CC(=NNc2ccccc2)C=C1	ZINC000104366401	571379516	/nfs/dbraw/zinc/37/95/16/571379516.db2.gz	JSULGLNYTBQZQY-RIIXPHEHSA-N	-2	1	512.525	5.870	40	10		KKCBML
CC(=O)C(=NNc1cc(S(=O)(=O)[O-])c(-c2cc(C)c(N=NC(C(C)=O)C(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])cc1C)C(=O)Nc1ccccc1	ZINC000150341422	571458127	/nfs/dbraw/zinc/45/81/27/571458127.db2.gz	WWZJYMWDTPESNJ-VDMVSCOFSA-N	-2	1	748.796	7.488	40	10		KKCBML
CC(=O)C(=NNc1cc(S(=O)(=O)[O-])c(-c2cc(C)c(NN=C(C(C)=O)C(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])cc1C)C(=O)Nc1ccccc1	ZINC000150341422	571458130	/nfs/dbraw/zinc/45/81/30/571458130.db2.gz	WWZJYMWDTPESNJ-VDMVSCOFSA-N	-2	1	748.796	7.488	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(O)=C4C(=O)C=C(S(=O)(=O)[O-])C=C4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386625	571469359	/nfs/dbraw/zinc/46/93/59/571469359.db2.gz	VKYPCMAKLFPTTC-IECPAEGSSA-N	-4	1	778.799	7.965	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c([O-])cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386625	571469361	/nfs/dbraw/zinc/46/93/61/571469361.db2.gz	VKYPCMAKLFPTTC-IECPAEGSSA-N	-4	1	778.799	7.965	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751690	571530630	/nfs/dbraw/zinc/53/06/30/571530630.db2.gz	JUZHUDZDLLHLEO-ITRZRYQLSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c([O-])cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751690	571530631	/nfs/dbraw/zinc/53/06/31/571530631.db2.gz	JUZHUDZDLLHLEO-ITRZRYQLSA-N	-3	1	769.774	8.331	40	10		KKCBML
Nc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccc(N=Nc4c(O)c5c(N)c(N=Nc6ccc([N+](=O)[O-])cc6)c(S(=O)(=O)[O-])cc5cc4S(=O)(=O)[O-])cc3)cc2)c(N)c1	ZINC000169724077	571559552	/nfs/dbraw/zinc/55/95/52/571559552.db2.gz	KLOBVOJCYFKUOI-AIPHFEBLSA-N	-2	1	861.857	7.741	40	10		KKCBML
Nc1ccc(N=Nc2ccc([N-]S(=O)(=O)c3ccc(N=Nc4c(O)c5c(N)c(N=Nc6ccc([N+](=O)[O-])cc6)c(S(=O)(=O)[O-])cc5cc4S(=O)(=O)[O-])cc3)cc2)c(N)c1	ZINC000169724077	571559555	/nfs/dbraw/zinc/55/95/55/571559555.db2.gz	KLOBVOJCYFKUOI-AIPHFEBLSA-N	-3	1	861.857	7.741	40	10		KKCBML
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1[N-]S(C)(=O)=O	ZINC000225484159	571854785	/nfs/dbraw/zinc/85/47/85/571854785.db2.gz	ACOCMVFRYPTQSK-VSGBNLITSA-N	-2	1	605.742	5.053	40	10		KKCBML
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])n1	ZINC000408633208	572289867	/nfs/dbraw/zinc/28/98/67/572289867.db2.gz	XCYJUJNYLADNST-NHDPSOOVSA-N	-2	1	524.986	5.457	40	10		KKCBML
CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(OCc2ccc(Cl)cc2Cl)c1	ZINC000409334324	1072346792	/nfs/dbraw/zinc/34/67/92/1072346792.db2.gz	WVCSDBYAHZNTBM-YFHOEESVSA-N	-2	1	505.358	5.698	40	10		KKCBML
Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc2ccc([N+](=O)[O-])cc2)C3=O)cc1	ZINC000004523160	552462842	/nfs/dbraw/zinc/46/28/42/552462842.db2.gz	PHLREJXSYVJPII-NBHCHVEOSA-N	-2	1	586.564	5.668	40	10		KKCBML
Nc1c(N=Nc2ccccc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(N=Nc3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C(S(=O)(=O)[O-])=C2	ZINC000095101018	553699911	/nfs/dbraw/zinc/69/99/11/553699911.db2.gz	BWWFTWIRFWFHAZ-BZBRHAISSA-N	-2	1	751.763	9.988	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1	ZINC000095669617	553706735	/nfs/dbraw/zinc/70/67/35/553706735.db2.gz	KXXRNNGEMNIAFA-ATXIYDNESA-N	-2	1	668.713	7.854	40	10		KKCBML
Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1	ZINC000026786836	553821324	/nfs/dbraw/zinc/82/13/24/553821324.db2.gz	IGKMAEVKAYNRFL-UHFFFAOYSA-N	-2	1	514.452	5.764	40	10		KKCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(C=Cc4nc5ccccc5[nH]4)cc3)c(O)c12	ZINC000051092775	554328885	/nfs/dbraw/zinc/32/88/85/554328885.db2.gz	YFCPNBURVWUWDE-MYEOPQIMSA-N	-2	1	565.589	5.083	40	10		KKCBML
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000100931056	554527206	/nfs/dbraw/zinc/52/72/06/554527206.db2.gz	AEJIITNPNUARQU-KOEQRZSOSA-N	-2	1	517.010	6.013	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c(O)c2c1	ZINC000104044301	571371674	/nfs/dbraw/zinc/37/16/74/571371674.db2.gz	IRGWFPQSVKCDEC-WANSBIPISA-N	-2	1	583.582	7.276	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)C=CC1=O	ZINC000104367290	571379698	/nfs/dbraw/zinc/37/96/98/571379698.db2.gz	ORQRLXUMXSQHJV-UGNJQGKKSA-N	-3	1	583.582	7.770	40	10		KKCBML
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)[O-])c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150342614	571458752	/nfs/dbraw/zinc/45/87/52/571458752.db2.gz	WQWKYALNLSYERE-DXQDNOBYSA-N	-3	1	708.708	7.128	40	10		KKCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000150366764	571464874	/nfs/dbraw/zinc/46/48/74/571464874.db2.gz	NSBAFKVLNXVWEI-JMAUFSLDSA-N	-3	1	695.761	10.233	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc(/N=N\c2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c2ccccc12	ZINC000150368100	571465204	/nfs/dbraw/zinc/46/52/04/571465204.db2.gz	KWKWHGVUTWRHDN-OZNSGRFJSA-N	-2	1	710.750	8.166	40	10		KKCBML
Cc1cc(C)c(N=Nc2cc(C)c(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1	ZINC000150476905	571511101	/nfs/dbraw/zinc/51/11/01/571511101.db2.gz	AVGNPNVKTQEJNK-XVIRNCMOSA-N	-2	1	659.746	8.847	40	10		KKCBML
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-]	ZINC000150476967	571511110	/nfs/dbraw/zinc/51/11/10/571511110.db2.gz	OJWWQROAEXSSTO-PKJKGCPLSA-N	-3	1	793.814	8.036	40	10		KKCBML
Cc1ccccc1NN=C1C=CC(=NN=C2C(=O)c3c(N)c(N=Nc4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])C(C)=C1	ZINC000150485393	571515764	/nfs/dbraw/zinc/51/57/64/571515764.db2.gz	CLJQREPWTVFCEV-RKPDSKFESA-N	-2	1	704.703	8.392	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150485667	571516021	/nfs/dbraw/zinc/51/60/21/571516021.db2.gz	IVIZYDSICQSNIS-OCQXYXTHSA-N	-2	1	829.873	9.418	40	10		KKCBML
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1[N-]S(C)(=O)=O	ZINC000225484129	571854742	/nfs/dbraw/zinc/85/47/42/571854742.db2.gz	ACOCMVFRYPTQSK-WUFINQPMSA-N	-2	1	605.742	5.053	40	10		KKCBML
COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2)c1=O	ZINC000408535973	572189541	/nfs/dbraw/zinc/18/95/41/572189541.db2.gz	UWXFDOHXRBDSGD-QNGOZBTKSA-N	-2	1	555.454	5.285	40	10		KKCBML
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)c(Br)c1[O-]	ZINC000408951896	1071348321	/nfs/dbraw/zinc/34/83/21/1071348321.db2.gz	MVFOKPKWIAGKND-UFFVCSGVSA-N	-2	1	644.360	6.450	40	10		KKCBML
O=c1c(N=Nc2ccc([N+](=O)[O-])cc2)cc(=NNc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c(=O)c1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21	ZINC001570007907	1073198674	/nfs/dbraw/zinc/19/86/74/1073198674.db2.gz	XSCNVMLGADMOOU-AMKDMJSRSA-N	-4	1	864.809	8.595	40	10		KKCBML
Cc1ccc(N=Nc2cc(C)c(S(=O)(=O)[O-])cc2NN=C2C(=O)C=Cc3ccccc32)cc1S(=O)(=O)[O-]	ZINC000004265577	552454658	/nfs/dbraw/zinc/45/46/58/552454658.db2.gz	YZKUEBBGIVFUGL-PAMTUDGESA-N	-2	1	540.579	6.486	40	10		KKCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(C=Cc4nc5ccccc5[nH]4)cc3)c(O)c12	ZINC000006133690	552535288	/nfs/dbraw/zinc/53/52/88/552535288.db2.gz	YFCPNBURVWUWDE-PMMYEFONSA-N	-2	1	565.589	5.083	40	10		KKCBML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000016312064	553559986	/nfs/dbraw/zinc/55/99/86/553559986.db2.gz	JSJWZSMVFWBUCJ-OVVQPSECSA-N	-2	1	510.619	5.976	40	10		KKCBML
COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	ZINC000026786834	553821286	/nfs/dbraw/zinc/82/12/86/553821286.db2.gz	MIUVGQDXMFXWPI-UHFFFAOYSA-N	-2	1	510.033	5.120	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c(O)c2c1	ZINC000033352900	553922504	/nfs/dbraw/zinc/92/25/04/553922504.db2.gz	IRGWFPQSVKCDEC-FMWAKIAMSA-N	-2	1	583.582	7.276	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000102312489	554910054	/nfs/dbraw/zinc/91/00/54/554910054.db2.gz	LBGIGKKBCWDMBD-RRPBDJRISA-N	-2	1	619.637	6.824	40	10		KKCBML
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000103919169	571369568	/nfs/dbraw/zinc/36/95/68/571369568.db2.gz	WLFBZNLHKKJWLV-ULJHMMPZSA-N	-2	1	532.651	5.381	40	10		KKCBML
O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c4ccccc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000104389446	571379993	/nfs/dbraw/zinc/37/99/93/571379993.db2.gz	POZWNRJWLYUOAY-RIIXPHEHSA-N	-2	1	512.525	5.870	40	10		KKCBML
Nc1ccc2c(O)c(N=Nc3ccc4c(O)c(N=Nc5c(Br)cc(Br)c6ccc(S(=O)(=O)[O-])cc65)c(S(=O)(=O)[O-])cc4c3)c(S(=O)(=O)[O-])cc2c1	ZINC000150341689	571458279	/nfs/dbraw/zinc/45/82/79/571458279.db2.gz	WDBYFLKQKSKNDL-IRBDSUPESA-N	-3	1	881.515	8.236	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5cc(Nc6ccccc6)ccc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150344066	571459176	/nfs/dbraw/zinc/45/91/76/571459176.db2.gz	GNBQDUZSFCDONM-HVMBLDELSA-N	-2	1	659.680	9.437	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N\c1ccc(-c2ccc(/N=N\c3c(N)ccc4cc(S(=O)(=O)[O-])cc(O)c43)cc2)cc1	ZINC000150366647	571464752	/nfs/dbraw/zinc/46/47/52/571464752.db2.gz	MPTZYMIJXLJHHT-JXPYRENWSA-N	-3	1	684.712	7.560	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150366663	571464856	/nfs/dbraw/zinc/46/48/56/571464856.db2.gz	YVWGWDRWIHADMC-VAXAQTQESA-N	-3	1	777.815	7.841	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5ccc(Nc6ccccc6)cc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150368147	571465270	/nfs/dbraw/zinc/46/52/70/571465270.db2.gz	RZAHKAAVHNDUQR-NGHPONOGSA-N	-2	1	659.680	9.437	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(O)=C4C(=O)C=C(S(=O)(=O)[O-])C=C4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386626	571469437	/nfs/dbraw/zinc/46/94/37/571469437.db2.gz	VKYPCMAKLFPTTC-LYERXDRPSA-N	-4	1	778.799	7.965	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c([O-])cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150386626	571469438	/nfs/dbraw/zinc/46/94/38/571469438.db2.gz	VKYPCMAKLFPTTC-LYERXDRPSA-N	-4	1	778.799	7.965	40	10		KKCBML
Cc1cc(C)c(N=Nc2cc(C)c(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2C)c(S(=O)(=O)[O-])c1	ZINC000150476902	571511023	/nfs/dbraw/zinc/51/10/23/571511023.db2.gz	AVGNPNVKTQEJNK-IRBDSUPESA-N	-2	1	659.746	8.847	40	10		KKCBML
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)c3O)c1	ZINC000150476858	571511042	/nfs/dbraw/zinc/51/10/42/571511042.db2.gz	VZJYJZHUIYBXJP-ACCGTFPRSA-N	-2	1	646.663	6.704	40	10		KKCBML
Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)c4O)c2)cc1	ZINC000150477027	571511214	/nfs/dbraw/zinc/51/12/14/571511214.db2.gz	OLMUVGULQUUYMK-KLPVBCFCSA-N	-2	1	765.786	7.956	40	10		KKCBML
Nc1ccc2c(c1)C(=O)C(=NNc1ccc(N=Nc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150488208	571516910	/nfs/dbraw/zinc/51/69/10/571516910.db2.gz	GKDDGAAABHSGRK-VKSNKJACSA-N	-2	1	642.675	7.340	40	10		KKCBML
Nc1ccc2c(c1)C(=O)C(=NNc1ccc(N=Nc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150488213	571516916	/nfs/dbraw/zinc/51/69/16/571516916.db2.gz	GKDDGAAABHSGRK-HLMXYHKXSA-N	-2	1	642.675	7.340	40	10		KKCBML
O=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000150629642	571523822	/nfs/dbraw/zinc/52/38/22/571523822.db2.gz	XKXJRPAWMFZKDW-CNODSYGASA-N	-3	1	825.859	9.386	40	10		KKCBML
CCOc1cc(N=Nc2ccc(N)c(OC)c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000150629541	571523850	/nfs/dbraw/zinc/52/38/50/571523850.db2.gz	OFEWTTHURUAVAY-QUVVFHLXSA-N	-2	1	651.679	7.012	40	10		KKCBML
Nc1ccc(N=Nc2ccc3c(c2)C(=O)C(=NN=C2C=CC(=NNc4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)C=C2)C(S(=O)(=O)[O-])=C3)c(N)c1	ZINC000004235530	552451552	/nfs/dbraw/zinc/45/15/52/552451552.db2.gz	DUJJZEAYTPKGDW-UPMJBUMYSA-N	-2	1	711.742	8.185	40	10		KKCBML
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C(C)C)cc1	ZINC000026786849	553821250	/nfs/dbraw/zinc/82/12/50/553821250.db2.gz	PMLBBFDXLGWIJG-UHFFFAOYSA-N	-2	1	510.033	5.120	40	10		KKCBML
Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=[NH+][N-]c1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2	ZINC000104323888	571379119	/nfs/dbraw/zinc/37/91/19/571379119.db2.gz	LTUMHABOUUZCLG-BFWJDIMNSA-N	-2	1	577.600	6.605	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(cccc4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150366667	571464852	/nfs/dbraw/zinc/46/48/52/571464852.db2.gz	YVWGWDRWIHADMC-NFSGFYSESA-N	-3	1	777.815	7.841	40	10		KKCBML
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12	ZINC000150366732	571464898	/nfs/dbraw/zinc/46/48/98/571464898.db2.gz	LINZZVAECORMOM-YGJLQQOCSA-N	-3	1	799.821	8.872	40	10		KKCBML
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(C)cc1N=Nc1c(O)c2ccc(Nc3ccccc3)cc2cc1S(=O)(=O)[O-]	ZINC000150476973	571511056	/nfs/dbraw/zinc/51/10/56/571511056.db2.gz	OJWWQROAEXSSTO-WVCCOWEBSA-N	-3	1	793.814	8.036	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2ccc(N)cc2cc1S(=O)(=O)[O-]	ZINC000150476959	571511063	/nfs/dbraw/zinc/51/10/63/571511063.db2.gz	DAUWYVUKZMSMCP-WVCCOWEBSA-N	-2	1	729.749	7.995	40	10		KKCBML
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc2)c3O)c1	ZINC000150476867	571511114	/nfs/dbraw/zinc/51/11/14/571511114.db2.gz	VZJYJZHUIYBXJP-NCTHRFBRSA-N	-2	1	646.663	6.704	40	10		KKCBML
Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)c4O)c2)cc1	ZINC000150477021	571511329	/nfs/dbraw/zinc/51/13/29/571511329.db2.gz	OLMUVGULQUUYMK-NBERVTRZSA-N	-2	1	765.786	7.956	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccc(-c2ccc(/N=N\c3cc(S(=O)(=O)[O-])c4ccccc4c3N)cc2)cc1	ZINC000150552431	571520774	/nfs/dbraw/zinc/52/07/74/571520774.db2.gz	KXXRNNGEMNIAFA-LYERXDRPSA-N	-2	1	668.713	7.854	40	10		KKCBML
O=C1c2ccc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(-c2ccc(N=Nc3c(O)c4ccc(Nc5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000150629645	571523957	/nfs/dbraw/zinc/52/39/57/571523957.db2.gz	XKXJRPAWMFZKDW-JMAUFSLDSA-N	-3	1	825.859	9.386	40	10		KKCBML
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])cc3c2C(=O)C(=NNc2ccc(C4CCCCC4)cc2C)C(S(=O)(=O)[O-])=C3)cc1	ZINC000299888453	572141157	/nfs/dbraw/zinc/14/11/57/572141157.db2.gz	JYJOTMJHHYEPIA-UHFFFAOYSA-N	-2	1	673.791	6.920	40	10		KKCBML
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000409042641	1071868245	/nfs/dbraw/zinc/86/82/45/1071868245.db2.gz	NXONNYYPZZZMBU-YBFXNURJSA-N	-2	1	572.209	5.163	40	10		KKCBML
O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3c(O)cc(S(=O)(=O)[O-])cc3c1)C2=O)c1ccccc1	ZINC000004804181	552487269	/nfs/dbraw/zinc/48/72/69/552487269.db2.gz	PMEOFEZYPUQMMU-QVIHXGFCSA-N	-2	1	593.595	5.565	40	10		KKCBML
O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc3cc(S(=O)(=O)[O-])ccc3c1)C2=O	ZINC000095538300	553703073	/nfs/dbraw/zinc/70/30/73/553703073.db2.gz	HIVSSNOQZTVJKW-XAHDOWKMSA-N	-3	1	738.734	6.357	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c(O)c2c1	ZINC000104044307	571371644	/nfs/dbraw/zinc/37/16/44/571371644.db2.gz	IRGWFPQSVKCDEC-IUQQBYGBSA-N	-2	1	583.582	7.276	40	10		KKCBML
Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=[NH+][N-]c1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccccc13)C=C2	ZINC000104323902	571379142	/nfs/dbraw/zinc/37/91/42/571379142.db2.gz	LTUMHABOUUZCLG-XKYJUMAPSA-N	-2	1	577.600	6.605	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(N=Nc3c(Nc4ccccc4)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)C=CC1=O	ZINC000104367281	571379595	/nfs/dbraw/zinc/37/95/95/571379595.db2.gz	ORQRLXUMXSQHJV-WANSBIPISA-N	-3	1	583.582	7.770	40	10		KKCBML
Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc2ccc([N+](=O)[O-])cc2)C3=O)cc1	ZINC000104367087	571379636	/nfs/dbraw/zinc/37/96/36/571379636.db2.gz	PHLREJXSYVJPII-ZQZMJUSDSA-N	-2	1	586.564	5.668	40	10		KKCBML
NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+][N-]c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104388998	571379908	/nfs/dbraw/zinc/37/99/08/571379908.db2.gz	FAVWUHVDBDLERC-RNDSACKQSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c4ccccc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000104389438	571379979	/nfs/dbraw/zinc/37/99/79/571379979.db2.gz	POZWNRJWLYUOAY-RUFRKCMOSA-N	-2	1	512.525	5.870	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC([O-])=CC4=O)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389502	571380010	/nfs/dbraw/zinc/38/00/10/571380010.db2.gz	GLVLQKSQNZQNGF-XMKAFMIMSA-N	-4	1	612.598	6.004	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389502	571380011	/nfs/dbraw/zinc/38/00/11/571380011.db2.gz	GLVLQKSQNZQNGF-XMKAFMIMSA-N	-4	1	612.598	6.004	40	10		KKCBML
O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c4ccccc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000104389441	571380020	/nfs/dbraw/zinc/38/00/20/571380020.db2.gz	POZWNRJWLYUOAY-HXEHWPEMSA-N	-2	1	512.525	5.870	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(-c2ccc(/N=N\c3c(N)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000150366649	571464769	/nfs/dbraw/zinc/46/47/69/571464769.db2.gz	MPTZYMIJXLJHHT-LYERXDRPSA-N	-4	1	684.712	7.560	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5ccc(Nc6ccccc6)cc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150368144	571465336	/nfs/dbraw/zinc/46/53/36/571465336.db2.gz	RZAHKAAVHNDUQR-YKSAKOAQSA-N	-2	1	659.680	9.437	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccccc1)c2O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O	ZINC000150454424	571503990	/nfs/dbraw/zinc/50/39/90/571503990.db2.gz	XKNUVBQTZXGYHL-WVCCOWEBSA-N	-2	1	712.722	8.372	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150475595	571510703	/nfs/dbraw/zinc/51/07/03/571510703.db2.gz	SUCVNJJGJQUCBI-YKSAKOAQSA-N	-2	1	710.750	8.166	40	10		KKCBML
Nc1cccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3cc2S(=O)(=O)[O-])c1	ZINC000150476919	571511066	/nfs/dbraw/zinc/51/10/66/571511066.db2.gz	PBUWOKNWPFTLNR-IRGIMFCPSA-N	-2	1	742.752	7.537	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150478970	571511594	/nfs/dbraw/zinc/51/15/94/571511594.db2.gz	AICLBRRCLVJTST-YKSAKOAQSA-N	-2	1	792.830	7.423	40	10		KKCBML
Nc1ccc2c(c1)C(=O)C(=NNc1ccc(N=Nc3ccc(N)c4cc(S(=O)(=O)[O-])ccc34)c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150488201	571516869	/nfs/dbraw/zinc/51/68/69/571516869.db2.gz	GKDDGAAABHSGRK-GLTNCGNLSA-N	-2	1	642.675	7.340	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C=C(S(=O)(=O)[O-])c4ccccc4C3=O)c(OC)c2)ccc1N=Nc1c(O)c2ccc(N)cc2cc1S(=O)(=O)[O-]	ZINC000261088320	572079780	/nfs/dbraw/zinc/07/97/80/572079780.db2.gz	DAUWYVUKZMSMCP-UHFFFAOYSA-N	-2	1	729.749	7.995	40	10		KKCBML
Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)c4O)c2)cc1	ZINC000095549026	553703689	/nfs/dbraw/zinc/70/36/89/553703689.db2.gz	OLMUVGULQUUYMK-LINOHWEVSA-N	-2	1	765.786	7.956	40	10		KKCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(C=Cc4nc5ccccc5[nH]4)cc3)c(O)c12	ZINC000051092778	554328832	/nfs/dbraw/zinc/32/88/32/554328832.db2.gz	YFCPNBURVWUWDE-AXBHWCKXSA-N	-2	1	565.589	5.083	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc(-c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)cc1	ZINC000104135491	571374612	/nfs/dbraw/zinc/37/46/12/571374612.db2.gz	OKRYVJRSHSURIS-UGNJQGKKSA-N	-3	1	583.582	7.276	40	10		KKCBML
Cc1ccc(N=Nc2c(N)c3c(cc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc2ccc([N+](=O)[O-])cc2)C3=O)cc1	ZINC000104367077	571379616	/nfs/dbraw/zinc/37/96/16/571379616.db2.gz	PHLREJXSYVJPII-LBXGSASVSA-N	-2	1	586.564	5.668	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104367037	571379642	/nfs/dbraw/zinc/37/96/42/571379642.db2.gz	WGIIJSJDWAQMMF-OUYNTLDRSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC([O-])=CC4=O)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389498	571380015	/nfs/dbraw/zinc/38/00/15/571380015.db2.gz	GLVLQKSQNZQNGF-OYUDAGAHSA-N	-4	1	612.598	6.004	40	10		KKCBML
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C=C4[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C([O-])=C1	ZINC000104389498	571380016	/nfs/dbraw/zinc/38/00/16/571380016.db2.gz	GLVLQKSQNZQNGF-OYUDAGAHSA-N	-4	1	612.598	6.004	40	10		KKCBML
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(NN=C5C(=O)c6c(N)cc(S(=O)(=O)[O-])cc6C=C5S(=O)(=O)[O-])cc4)cc3)c(O)c2c1	ZINC000150366653	571464763	/nfs/dbraw/zinc/46/47/63/571464763.db2.gz	JDKKCKKFTIMFFD-JXPYRENWSA-N	-3	1	764.776	6.807	40	10		KKCBML
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2N=Nc1ccc(N=Nc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])c2ccccc12	ZINC000150366730	571464890	/nfs/dbraw/zinc/46/48/90/571464890.db2.gz	LINZZVAECORMOM-IRGIMFCPSA-N	-3	1	799.821	8.872	40	10		KKCBML
CCOc1cc(-c2ccc(N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)[O-])cc2)ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-]	ZINC000150474853	571510705	/nfs/dbraw/zinc/51/07/05/571510705.db2.gz	PTQVNAIKTPZSKK-NGHPONOGSA-N	-2	1	728.765	7.959	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150475599	571510707	/nfs/dbraw/zinc/51/07/07/571510707.db2.gz	SUCVNJJGJQUCBI-NVXIXPEWSA-N	-2	1	710.750	8.166	40	10		KKCBML
Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc3cc(S(=O)(=O)[O-])ccc3c1)c2O	ZINC000150485672	571516048	/nfs/dbraw/zinc/51/60/48/571516048.db2.gz	IVIZYDSICQSNIS-MLGMXDONSA-N	-2	1	829.873	9.418	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c(O)cc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751949	571530624	/nfs/dbraw/zinc/53/06/24/571530624.db2.gz	JUZHUDZDLLHLEO-LMXNTIJMSA-N	-2	1	769.774	8.331	40	10		KKCBML
CC(=O)Nc1ccc(N=Nc2cc3c([O-])cc(NC(=O)Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4ccccc4)C5=O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000159751949	571530625	/nfs/dbraw/zinc/53/06/25/571530625.db2.gz	JUZHUDZDLLHLEO-LMXNTIJMSA-N	-3	1	769.774	8.331	40	10		KKCBML
COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O	ZINC000408527090	572159362	/nfs/dbraw/zinc/15/93/62/572159362.db2.gz	DYYRHLIPPFEXKJ-OFWBYEQRSA-N	-2	1	610.780	6.991	40	10		KKCBML
COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O	ZINC000408535278	572188185	/nfs/dbraw/zinc/18/81/85/572188185.db2.gz	YGRWEFMDOJSFIB-QNGOZBTKSA-N	-2	1	569.481	5.594	40	10		KKCBML
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)[O-])c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000004416141	552459540	/nfs/dbraw/zinc/45/95/40/552459540.db2.gz	WQWKYALNLSYERE-XVUBHQJVSA-N	-3	1	708.708	7.128	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000004523159	552462884	/nfs/dbraw/zinc/46/28/84/552462884.db2.gz	WGIIJSJDWAQMMF-JQRDNDPDSA-N	-2	1	527.540	5.452	40	10		KKCBML
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C2=O	ZINC000104367043	571379704	/nfs/dbraw/zinc/37/97/04/571379704.db2.gz	WGIIJSJDWAQMMF-DYORGOFNSA-N	-2	1	527.540	5.452	40	10		KKCBML
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)[O-])c3ccccc13)C(S(=O)(=O)[O-])=C2	ZINC000150342616	571458744	/nfs/dbraw/zinc/45/87/44/571458744.db2.gz	WQWKYALNLSYERE-ZXJVALLTSA-N	-3	1	708.708	7.128	40	10		KKCBML
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(N=Nc4c(O)c5ccc(Nc6ccccc6)cc5cc4S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000150368149	571465286	/nfs/dbraw/zinc/46/52/86/571465286.db2.gz	RZAHKAAVHNDUQR-NVXIXPEWSA-N	-2	1	659.680	9.437	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccccc1)c2O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O	ZINC000150454420	571503963	/nfs/dbraw/zinc/50/39/63/571503963.db2.gz	XKNUVBQTZXGYHL-PKJKGCPLSA-N	-2	1	712.722	8.372	40	10		KKCBML
Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc5ccc(S(=O)(=O)[O-])cc5)cc3)c4O)c2)cc1	ZINC000150477025	571511243	/nfs/dbraw/zinc/51/12/43/571511243.db2.gz	OLMUVGULQUUYMK-IDQBSGSVSA-N	-2	1	765.786	7.956	40	10		KKCBML
Cc1cc(-c2ccc(NN=C3C(=O)c4c(N)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(C)c2)ccc1[N-][NH+]=C1C=Cc2c(S(=O)(=O)[O-])ccc(N)c2C1=O	ZINC000150478978	571511677	/nfs/dbraw/zinc/51/16/77/571511677.db2.gz	AICLBRRCLVJTST-NGHPONOGSA-N	-2	1	792.830	7.423	40	10		KKCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(NN=C3C=CC(=C4C=CC(=O)C=C4)C=C3)c([O-])c12	ZINC000150485100	571515590	/nfs/dbraw/zinc/51/55/90/571515590.db2.gz	RGYWIKUGSVUCPT-RRPBDJRISA-N	-3	1	664.634	6.733	40	10		KKCBML
COc1cc(-c2ccc(NN=C3C(=O)c4cc(O)c(C(=O)[O-])cc4C=C3S(=O)(=O)[O-])c(OC)c2)ccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000150570500	571521302	/nfs/dbraw/zinc/52/13/02/571521302.db2.gz	ISDJYMKMTCNNEJ-WVCCOWEBSA-N	-3	1	774.742	7.816	40	10		KKCBML
O=C(Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccccc1)c2O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O	ZINC000263611734	572130541	/nfs/dbraw/zinc/13/05/41/572130541.db2.gz	XKNUVBQTZXGYHL-UHFFFAOYSA-N	-2	1	712.722	8.372	40	10		KKCBML
O=C([O-])c1ccc(N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c4)cc(S(=O)(=O)[O-])c(N=Nc4ccccc4)c5O)cc3cc2S(=O)(=O)[O-])cc1	ZINC000299888728	572142222	/nfs/dbraw/zinc/14/22/22/572142222.db2.gz	VJHZFJOJOFPVJJ-UHFFFAOYSA-N	-3	1	756.731	8.071	40	10		KKCBML
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])n1	ZINC000408632536	572289036	/nfs/dbraw/zinc/28/90/36/572289036.db2.gz	RAXPAXMNIJVEOU-NHDPSOOVSA-N	-2	1	524.986	5.457	40	10		KKCBML