smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(C[C@@H]2C(=O)N(c3ccccc3)S(=O)(=O)[N-][C@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	ZINC000001628671	551686756	/nfs/dbraw/zinc/68/67/56/551686756.db2.gz	QGIHEFHWYZSHNW-KXBFYZLASA-N	-1	3	504.590	1.760	40	0		KDABHM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000002799803	552194213	/nfs/dbraw/zinc/19/42/13/552194213.db2.gz	COZONACNRCJSRL-LTVGTUHNSA-N	-1	3	574.011	1.649	40	0		KDABHM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000002799805	552194186	/nfs/dbraw/zinc/19/41/86/552194186.db2.gz	COZONACNRCJSRL-ALPFBALHSA-N	-1	3	574.011	1.649	40	0		KDABHM
O=S(=O)([N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1cccc(N2CCOCC2)c1)c1cccs1	ZINC000004147791	552442904	/nfs/dbraw/zinc/44/29/04/552442904.db2.gz	OVGAWTLIYAAUCQ-RAUXBKROSA-N	-1	3	520.593	1.049	40	0	biogenic,in-vitro	KDABHM
O=S(=O)([N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2ccnc2)cc1)c1cccs1	ZINC000004147877	552442975	/nfs/dbraw/zinc/44/29/75/552442975.db2.gz	OCZHEWULGYTGAI-RNIPGJKVSA-N	-1	3	501.550	1.398	40	0	biogenic,in-vitro	KDABHM
O=S(=O)(Cc1ccccc1)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2ccnc2)cc1	ZINC000004147879	552442859	/nfs/dbraw/zinc/44/28/59/552442859.db2.gz	IOFBEPMVXRJCDB-FNAHDJPLSA-N	-1	3	509.548	1.478	40	0	biogenic,in-vitro	KDABHM
Cc1cc(C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C[C@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)n(C)n1	ZINC000004221667	291724457	/nfs/dbraw/zinc/72/44/57/291724457.db2.gz	PBTGVMFUTYDPTL-SZMVWBNQSA-N	-1	3	564.715	1.016	40	0	biogenic,in-vitro	KDABHM
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)CCN1C(=O)c1cccn1C)C(N)=O	ZINC000004221713	552450492	/nfs/dbraw/zinc/45/04/92/552450492.db2.gz	VJJNFHOCDMXVAS-JZXOWHBKSA-N	-1	3	509.654	1.055	40	0	biogenic,in-vitro	KDABHM
Cc1nc(C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)cs1	ZINC000004221742	552450506	/nfs/dbraw/zinc/45/05/06/552450506.db2.gz	FJTDCSAAJSKQEU-NSHGMRRFSA-N	-1	3	561.711	1.678	40	0	biogenic,in-vitro	KDABHM
CC1=C(C[C@@H]2C(=O)N(c3ccccc3)S(=O)(=O)[N-][C@@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	ZINC000005810618	552509789	/nfs/dbraw/zinc/50/97/89/552509789.db2.gz	QGIHEFHWYZSHNW-BEFAXECRSA-N	-1	3	504.590	1.760	40	0		KDABHM
CC1=C(C[C@H]2C(=O)N(c3ccccc3)S(=O)(=O)[N-][C@@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	ZINC000005810619	552509771	/nfs/dbraw/zinc/50/97/71/552509771.db2.gz	QGIHEFHWYZSHNW-DNVCBOLYSA-N	-1	3	504.590	1.760	40	0		KDABHM
CC1=C(C[C@H]2C(=O)N(c3ccccc3)S(=O)(=O)[N-][C@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	ZINC000005810621	552509803	/nfs/dbraw/zinc/50/98/03/552509803.db2.gz	QGIHEFHWYZSHNW-HNAYVOBHSA-N	-1	3	504.590	1.760	40	0		KDABHM
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1	ZINC000013564521	553472278	/nfs/dbraw/zinc/47/22/78/553472278.db2.gz	YAWJSIYRXGJTAP-GOSISDBHSA-N	-1	3	508.560	1.918	40	0		KDABHM
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1	ZINC000013564524	553472282	/nfs/dbraw/zinc/47/22/82/553472282.db2.gz	YAWJSIYRXGJTAP-SFHVURJKSA-N	-1	3	508.560	1.918	40	0		KDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1	ZINC000020032562	553666292	/nfs/dbraw/zinc/66/62/92/553666292.db2.gz	VYEUYWCQWYWEMY-UHFFFAOYSA-N	-1	3	505.574	1.839	40	0		KDABHM
O=S(=O)([N-]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccs1	ZINC000020465456	553656653	/nfs/dbraw/zinc/65/66/53/553656653.db2.gz	XSFHRUPKBXMDDV-LCLWPZTBSA-N	-1	3	521.583	1.357	40	0	biogenic,in-vitro	KDABHM
COc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000020486099	553659256	/nfs/dbraw/zinc/65/92/56/553659256.db2.gz	QIQRWFMCGWOPQI-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000020492561	553665723	/nfs/dbraw/zinc/66/57/23/553665723.db2.gz	BNCZYOWPIOBOIM-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000022228023	553727655	/nfs/dbraw/zinc/72/76/55/553727655.db2.gz	VDRXVVAHXPPUNK-UHFFFAOYSA-N	-1	3	501.652	1.754	40	0		KDABHM
COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000022519052	553743981	/nfs/dbraw/zinc/74/39/81/553743981.db2.gz	CYSYFYSFKFHWEU-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
CCOC(=O)CNC(=O)[C@H](CSC(=O)N([O-])c1ccc(Br)cc1)NC(=O)CC[C@@H](N)C(=O)OCC	ZINC000026387428	553818283	/nfs/dbraw/zinc/81/82/83/553818283.db2.gz	PYPKSBBTQSNXLR-CVEARBPZSA-N	-1	3	577.454	1.333	40	0		KDABHM
CCCc1nc(C)c2c(=O)[n-]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nn12	ZINC000028357928	553841888	/nfs/dbraw/zinc/84/18/88/553841888.db2.gz	KZFHUILKKFVOMB-UHFFFAOYSA-N	-1	3	504.613	1.043	40	0	in-vitro	KDABHM
O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1	ZINC000038144985	554266662	/nfs/dbraw/zinc/26/66/62/554266662.db2.gz	ZMEFTNXOBMLJFP-UHFFFAOYSA-N	-1	3	587.659	1.711	40	0		KDABHM
O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)nc2c1nnn2Cc1ccccc1	ZINC000038144986	554266735	/nfs/dbraw/zinc/26/67/35/554266735.db2.gz	DKWCRVDEFICSDZ-UHFFFAOYSA-N	-1	3	569.669	1.984	40	0		KDABHM
Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC2)[n-]c3=O)c1	ZINC000038144988	554266729	/nfs/dbraw/zinc/26/67/29/554266729.db2.gz	MRHCBNQYVWYKGW-UHFFFAOYSA-N	-1	3	585.712	1.998	40	0		KDABHM
Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CC5)cc4)CC2)[n-]c3=O)cc1	ZINC000038144990	554266644	/nfs/dbraw/zinc/26/66/44/554266644.db2.gz	CWSURPCMVRAAII-UHFFFAOYSA-N	-1	3	583.696	1.880	40	0		KDABHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1	ZINC000044900198	554308480	/nfs/dbraw/zinc/30/84/80/554308480.db2.gz	JZNDEKITVJIIDZ-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000059838189	554445762	/nfs/dbraw/zinc/44/57/62/554445762.db2.gz	SOSJVYQSJDJRRI-HNNXBMFYSA-N	-1	3	532.040	1.353	40	0		KDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000059838192	554445775	/nfs/dbraw/zinc/44/57/75/554445775.db2.gz	SOSJVYQSJDJRRI-OAHLLOKOSA-N	-1	3	532.040	1.353	40	0		KDABHM
CCOC([O-])=NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4nc[nH]c43)CC2)c(=O)[nH]c1=O	ZINC000073280196	553652642	/nfs/dbraw/zinc/65/26/42/553652642.db2.gz	KXUVLTZHOKTPGO-UHFFFAOYSA-N	-1	3	640.746	1.856	40	0		KDABHM
COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2	ZINC000077287221	553659167	/nfs/dbraw/zinc/65/91/67/553659167.db2.gz	GUJDLRRGLWFUSI-DOGAPSHYSA-N	-1	3	541.597	1.624	40	0	in-vitro	KDABHM
COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2	ZINC000077287222	553659155	/nfs/dbraw/zinc/65/91/55/553659155.db2.gz	GUJDLRRGLWFUSI-VAPPSUDISA-N	-1	3	541.597	1.624	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4[O-])C[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000095547986	553703419	/nfs/dbraw/zinc/70/34/19/553703419.db2.gz	VXVGFMUNENQGFW-JUCAJKCDSA-N	-1	3	756.857	1.543	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4[O-])C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000095547987	553703364	/nfs/dbraw/zinc/70/33/64/553703364.db2.gz	VXVGFMUNENQGFW-NIXSBGKRSA-N	-1	3	756.857	1.543	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4[O-])C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000095547988	553703375	/nfs/dbraw/zinc/70/33/75/553703375.db2.gz	VXVGFMUNENQGFW-ZNYZKYPASA-N	-1	3	756.857	1.543	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4[O-])C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000095547989	553703321	/nfs/dbraw/zinc/70/33/21/553703321.db2.gz	VXVGFMUNENQGFW-FICKNYIISA-N	-1	3	756.857	1.543	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc([O-])c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)cc1	ZINC000095548067	553703599	/nfs/dbraw/zinc/70/35/99/553703599.db2.gz	TWOWSRSKGJSZHZ-ALIPSFGCSA-N	-1	3	772.856	1.034	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc([O-])c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N2C)cc1	ZINC000095548068	553703671	/nfs/dbraw/zinc/70/36/71/553703671.db2.gz	TWOWSRSKGJSZHZ-HHFUIDEQSA-N	-1	3	772.856	1.034	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc([O-])c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	ZINC000095548069	553703609	/nfs/dbraw/zinc/70/36/09/553703609.db2.gz	TWOWSRSKGJSZHZ-GNYZMAJASA-N	-1	3	772.856	1.034	40	0	in-vitro	KDABHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc([O-])c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	ZINC000095548070	553703728	/nfs/dbraw/zinc/70/37/28/553703728.db2.gz	TWOWSRSKGJSZHZ-PYBPKYSESA-N	-1	3	772.856	1.034	40	0	in-vitro	KDABHM
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000096131321	553727247	/nfs/dbraw/zinc/72/72/47/553727247.db2.gz	UCHGVQMTIJAUOM-RSGBUPOYSA-N	-1	3	675.787	1.047	40	0		KDABHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000097985347	554022730	/nfs/dbraw/zinc/02/27/30/554022730.db2.gz	WAEKSZJQJUDRCQ-ABZQKAAASA-N	-1	3	565.553	1.736	40	0		KDABHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000097985348	554022756	/nfs/dbraw/zinc/02/27/56/554022756.db2.gz	WAEKSZJQJUDRCQ-KFEALIJWSA-N	-1	3	565.553	1.736	40	0		KDABHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000097985349	554022749	/nfs/dbraw/zinc/02/27/49/554022749.db2.gz	WAEKSZJQJUDRCQ-WJGLBBAVSA-N	-1	3	565.553	1.736	40	0		KDABHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000097985350	554022720	/nfs/dbraw/zinc/02/27/20/554022720.db2.gz	WAEKSZJQJUDRCQ-VMAPGKTHSA-N	-1	3	565.553	1.736	40	0		KDABHM
COC(=O)[C@]([O-])(c1ccc2c(c1)CCN2[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	ZINC000098005950	554059883	/nfs/dbraw/zinc/05/98/83/554059883.db2.gz	IJOAIKTXOURHMD-HMDHFJOWSA-N	-1	3	605.515	1.055	40	0		KDABHM
COC(=O)[C@]([O-])(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	ZINC000098005951	554059903	/nfs/dbraw/zinc/05/99/03/554059903.db2.gz	IJOAIKTXOURHMD-UKJNNRTMSA-N	-1	3	605.515	1.055	40	0		KDABHM
COC(=O)[C@]([O-])(c1ccc2c(c1)CCN2[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	ZINC000098005952	554059922	/nfs/dbraw/zinc/05/99/22/554059922.db2.gz	IJOAIKTXOURHMD-VHBKMNRISA-N	-1	3	605.515	1.055	40	0		KDABHM
CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1cnc3c1nc(NC(=O)COc1ccc(Br)cc1)[n-]c3=O)O[C@H]2CO	ZINC000098048059	554159247	/nfs/dbraw/zinc/15/92/47/554159247.db2.gz	PELIPSXWAUNANX-GJZVTGKDSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC1(C)O[C@@H]2[C@@H](O1)[C@H](CO)O[C@@H]2n1cnc2c1nc(NC(=O)COc1ccc(Br)cc1)[n-]c2=O	ZINC000098048060	554159290	/nfs/dbraw/zinc/15/92/90/554159290.db2.gz	PELIPSXWAUNANX-XJTZBENFSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC1(C)O[C@@H]2[C@@H](CO)O[C@H](n3cnc4c3nc(NC(=O)COc3ccc(Br)cc3)[n-]c4=O)[C@@H]2O1	ZINC000098048061	554159162	/nfs/dbraw/zinc/15/91/62/554159162.db2.gz	PELIPSXWAUNANX-GABDYKALSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](CO)O[C@@H]2n1cnc2c1nc(NC(=O)COc1ccc(Br)cc1)[n-]c2=O	ZINC000098048062	554159273	/nfs/dbraw/zinc/15/92/73/554159273.db2.gz	PELIPSXWAUNANX-XIEZEKGWSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000100106527	554220763	/nfs/dbraw/zinc/22/07/63/554220763.db2.gz	PESDLRHNBKPWSL-MUGJNUQGSA-N	-1	3	543.706	1.660	40	0		KDABHM
COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100445921	554394418	/nfs/dbraw/zinc/39/44/18/554394418.db2.gz	YNKWBUNGMQUGAO-UHFFFAOYSA-N	-1	3	562.616	1.836	40	0		KDABHM
Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)CC2)[n-]c3=O)cc1	ZINC000100445951	554394360	/nfs/dbraw/zinc/39/43/60/554394360.db2.gz	JTNFJYSDJWWALG-UHFFFAOYSA-N	-1	3	613.722	1.873	40	0		KDABHM
Cc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100446125	554394355	/nfs/dbraw/zinc/39/43/55/554394355.db2.gz	XJUMSBHLGQZSGU-UHFFFAOYSA-N	-1	3	550.580	1.967	40	0		KDABHM
COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100446129	554394294	/nfs/dbraw/zinc/39/42/94/554394294.db2.gz	ZVFQHEKUXPYZOL-UHFFFAOYSA-N	-1	3	566.579	1.667	40	0		KDABHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1	ZINC000100446146	554394371	/nfs/dbraw/zinc/39/43/71/554394371.db2.gz	GJLMCXXTPHIDSE-UHFFFAOYSA-N	-1	3	575.648	1.933	40	0		KDABHM
O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc2c1nnn2Cc1ccc(F)cc1	ZINC000100446151	554394392	/nfs/dbraw/zinc/39/43/92/554394392.db2.gz	KDGZPHKNGYJQJS-UHFFFAOYSA-N	-1	3	617.685	1.704	40	0		KDABHM
Cc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100446571	554394655	/nfs/dbraw/zinc/39/46/55/554394655.db2.gz	KANYFZKTBSMAMY-UHFFFAOYSA-N	-1	3	532.590	1.828	40	0		KDABHM
COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100446578	554394714	/nfs/dbraw/zinc/39/47/14/554394714.db2.gz	QZZJZRKCEWWFEV-UHFFFAOYSA-N	-1	3	548.589	1.528	40	0		KDABHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)cc1	ZINC000100446602	554395096	/nfs/dbraw/zinc/39/50/96/554395096.db2.gz	UDESKYRNRKALQO-UHFFFAOYSA-N	-1	3	557.658	1.794	40	0		KDABHM
O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc2c1nnn2Cc1ccccc1	ZINC000100446611	554395004	/nfs/dbraw/zinc/39/50/04/554395004.db2.gz	KZJOYJXNBMVOSD-UHFFFAOYSA-N	-1	3	599.695	1.564	40	0		KDABHM
COc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100471635	554398737	/nfs/dbraw/zinc/39/87/37/554398737.db2.gz	GMCUFBGOBFBVMP-UHFFFAOYSA-N	-1	3	566.579	1.667	40	0		KDABHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)cc1	ZINC000100471647	554399180	/nfs/dbraw/zinc/39/91/80/554399180.db2.gz	KLMWDZMFAWVVGW-UHFFFAOYSA-N	-1	3	575.648	1.933	40	0		KDABHM
Cc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)ccc1-n1cnnn1	ZINC000100471653	554399213	/nfs/dbraw/zinc/39/92/13/554399213.db2.gz	JMEYRHSTNOKSMT-UHFFFAOYSA-N	-1	3	550.580	1.967	40	0		KDABHM
O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1	ZINC000100471704	554399206	/nfs/dbraw/zinc/39/92/06/554399206.db2.gz	QDWQHHSWDMROLB-UHFFFAOYSA-N	-1	3	617.685	1.704	40	0		KDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000102856920	555088273	/nfs/dbraw/zinc/08/82/73/555088273.db2.gz	WAEKSZJQJUDRCQ-ZLFMQQKDSA-N	-1	3	565.553	1.736	40	0		KDABHM
CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3cnc4c3nc(NC(=O)COc3ccc(Br)cc3)[n-]c4=O)[C@H]2O1	ZINC000103184710	555330646	/nfs/dbraw/zinc/33/06/46/555330646.db2.gz	PELIPSXWAUNANX-BVNXPQQUSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c3nc(NC(=O)COc3ccc(Br)cc3)[n-]c4=O)[C@H]2O1	ZINC000103184718	555330596	/nfs/dbraw/zinc/33/05/96/555330596.db2.gz	PELIPSXWAUNANX-DNQNPRGNSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000170623037	571562972	/nfs/dbraw/zinc/56/29/72/571562972.db2.gz	WAEKSZJQJUDRCQ-YCXOGWGTSA-N	-1	3	565.553	1.736	40	0		KDABHM
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000170623038	571562959	/nfs/dbraw/zinc/56/29/59/571562959.db2.gz	WAEKSZJQJUDRCQ-VAFBSOEGSA-N	-1	3	565.553	1.736	40	0		KDABHM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1[O-]	ZINC000214278852	571578264	/nfs/dbraw/zinc/57/82/64/571578264.db2.gz	ZTTGVWRQQWBTRN-MDWZMJQESA-N	-1	3	504.302	1.901	40	0		KDABHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl	ZINC000216329198	571594844	/nfs/dbraw/zinc/59/48/44/571594844.db2.gz	AMEZMISGNVFURM-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl	ZINC000216429407	571596191	/nfs/dbraw/zinc/59/61/91/571596191.db2.gz	NCDSQAIRIWHFMJ-UHFFFAOYSA-N	-1	3	503.986	1.993	40	0		KDABHM
COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1	ZINC000223453925	571478866	/nfs/dbraw/zinc/47/88/66/571478866.db2.gz	ISZSUKKGHCKQJS-UHFFFAOYSA-N	-1	3	506.031	1.645	40	0		KDABHM
COC(=O)CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1	ZINC000224231781	571502359	/nfs/dbraw/zinc/50/23/59/571502359.db2.gz	RHUVRAJGZFTTMY-UHFFFAOYSA-N	-1	3	506.031	1.645	40	0		KDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1	ZINC000224474264	571554357	/nfs/dbraw/zinc/55/43/57/571554357.db2.gz	CTDWPGPJSBJEGC-UHFFFAOYSA-N	-1	3	518.013	1.541	40	0		KDABHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000224493347	571559430	/nfs/dbraw/zinc/55/94/30/571559430.db2.gz	KEIASEMSJIXONY-UHFFFAOYSA-N	-1	3	518.997	1.505	40	0		KDABHM
COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224497913	571560728	/nfs/dbraw/zinc/56/07/28/571560728.db2.gz	WXLNEWHLRMTWAV-UHFFFAOYSA-N	-1	3	535.438	1.836	40	0		KDABHM
CC1(C)O[C@@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c1nc(NC(=O)COc1ccc(Br)cc1)[n-]c2=O	ZINC000226480452	572138177	/nfs/dbraw/zinc/13/81/77/572138177.db2.gz	PELIPSXWAUNANX-GCUGWZBJSA-N	-1	3	536.339	1.309	40	0		KDABHM
CC(C)C[C@H]1NC(=O)C2(CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC2)C/C=C/C[C@H]2COCC[C@H]2NC1=O	ZINC000257208646	572307147	/nfs/dbraw/zinc/30/71/47/572307147.db2.gz	BMZMSWSHQRIEGQ-RHZQZDJCSA-N	-1	3	506.644	1.190	40	0		KDABHM
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3cc(F)c(=O)[n-]c3=O)[C@@H](O)[C@@H]2O)c1	ZINC000257235422	572309710	/nfs/dbraw/zinc/30/97/10/572309710.db2.gz	GXUFXVDSIHWCCQ-UAFMIMERSA-N	-1	3	536.557	1.237	40	0		KDABHM
C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1cc(Br)c(=O)[n-]c1=O	ZINC000257241406	572310366	/nfs/dbraw/zinc/31/03/66/572310366.db2.gz	HXYIRABPKHEPIJ-SPEDKVCISA-N	-1	3	537.411	1.061	40	0		KDABHM
COc1cc(Br)cc(C(=O)N2CCC3(CC2)C[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)CO3)c1[O-]	ZINC000257241711	572310343	/nfs/dbraw/zinc/31/03/43/572310343.db2.gz	HZGLFJHGXBIPDM-KKSFZXQISA-N	-1	3	524.368	1.813	40	0		KDABHM
CC(C)(C)OC(=O)NCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000257292108	572314984	/nfs/dbraw/zinc/31/49/84/572314984.db2.gz	QKBGQSRGIFRYES-RCVZYCBYSA-N	-1	3	520.558	1.314	40	0		KDABHM
COCCn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc21	ZINC000257292460	572315177	/nfs/dbraw/zinc/31/51/77/572315177.db2.gz	QLNYWVJYULIUAT-HYBUGGRVSA-N	-1	3	515.542	1.472	40	0		KDABHM
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cc(Cl)c(=O)[n-]c1=O	ZINC000257300207	572315946	/nfs/dbraw/zinc/31/59/46/572315946.db2.gz	RTJGECPWWVUKRS-LVXARBLLSA-N	-1	3	561.035	1.991	40	0		KDABHM
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000257322333	572318086	/nfs/dbraw/zinc/31/80/86/572318086.db2.gz	WFNIAAXKILJTFE-LVXARBLLSA-N	-1	3	544.580	1.477	40	0		KDABHM
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cc(F)c(=O)[n-]c3=O)[C@@H](O)[C@@H]2O)cc1	ZINC000257334064	572319200	/nfs/dbraw/zinc/31/92/00/572319200.db2.gz	YEJJBPIBZPLYFG-UAFMIMERSA-N	-1	3	536.557	1.237	40	0		KDABHM
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c(OC)c1	ZINC000408656641	572306224	/nfs/dbraw/zinc/30/62/24/572306224.db2.gz	NRTIPQNJAIXRQF-AWEZNQCLSA-N	-1	3	501.492	1.396	40	0		KDABHM
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c(OC)c1	ZINC000408656642	572306231	/nfs/dbraw/zinc/30/62/31/572306231.db2.gz	NRTIPQNJAIXRQF-CQSZACIVSA-N	-1	3	501.492	1.396	40	0		KDABHM
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408656765	572306249	/nfs/dbraw/zinc/30/62/49/572306249.db2.gz	OHXDOADOXQRFPW-AWEZNQCLSA-N	-1	3	501.492	1.396	40	0		KDABHM
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408656767	572306254	/nfs/dbraw/zinc/30/62/54/572306254.db2.gz	OHXDOADOXQRFPW-CQSZACIVSA-N	-1	3	501.492	1.396	40	0		KDABHM
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408662781	572309859	/nfs/dbraw/zinc/30/98/59/572309859.db2.gz	XYJYQSLDXMVNKO-INIZCTEOSA-N	-1	3	513.503	1.556	40	0		KDABHM
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408662783	572309845	/nfs/dbraw/zinc/30/98/45/572309845.db2.gz	XYJYQSLDXMVNKO-MRXNPFEDSA-N	-1	3	513.503	1.556	40	0		KDABHM
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408667764	572312931	/nfs/dbraw/zinc/31/29/31/572312931.db2.gz	KPNLXIFFVYSAKL-KRWDZBQOSA-N	-1	3	527.530	1.946	40	0		KDABHM
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408667765	572312960	/nfs/dbraw/zinc/31/29/60/572312960.db2.gz	KPNLXIFFVYSAKL-QGZVFWFLSA-N	-1	3	527.530	1.946	40	0		KDABHM
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000575424522	1066345181	/nfs/dbraw/zinc/34/51/81/1066345181.db2.gz	TVSKRCLRIQTBSZ-GHMZBOCLSA-N	-1	3	520.221	1.402	40	0		KDABHM
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000575424523	1066345384	/nfs/dbraw/zinc/34/53/84/1066345384.db2.gz	TVSKRCLRIQTBSZ-MNOVXSKESA-N	-1	3	520.221	1.402	40	0		KDABHM
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000575424524	1066345415	/nfs/dbraw/zinc/34/54/15/1066345415.db2.gz	TVSKRCLRIQTBSZ-QWRGUYRKSA-N	-1	3	520.221	1.402	40	0		KDABHM
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000575424525	1066345146	/nfs/dbraw/zinc/34/51/46/1066345146.db2.gz	TVSKRCLRIQTBSZ-WDEREUQCSA-N	-1	3	520.221	1.402	40	0		KDABHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	ZINC000575425158	1066345927	/nfs/dbraw/zinc/34/59/27/1066345927.db2.gz	YPEQZNNVYWQOPD-IZLXSDGUSA-N	-1	3	664.784	1.113	40	0		KDABHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	ZINC000575425159	1066345635	/nfs/dbraw/zinc/34/56/35/1066345635.db2.gz	YPEQZNNVYWQOPD-NSOVKSMOSA-N	-1	3	664.784	1.113	40	0		KDABHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	ZINC000575425160	1066345906	/nfs/dbraw/zinc/34/59/06/1066345906.db2.gz	YPEQZNNVYWQOPD-VSGBNLITSA-N	-1	3	664.784	1.113	40	0		KDABHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	ZINC000575425161	1066345597	/nfs/dbraw/zinc/34/55/97/1066345597.db2.gz	YPEQZNNVYWQOPD-WUFINQPMSA-N	-1	3	664.784	1.113	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	ZINC000575426332	1066346222	/nfs/dbraw/zinc/34/62/22/1066346222.db2.gz	RETZWXQMHJEBFA-CLJLJLNGSA-N	-1	3	696.782	1.775	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	ZINC000575426333	1066346411	/nfs/dbraw/zinc/34/64/11/1066346411.db2.gz	RETZWXQMHJEBFA-FTJBHMTQSA-N	-1	3	696.782	1.775	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	ZINC000575426334	1066346469	/nfs/dbraw/zinc/34/64/69/1066346469.db2.gz	RETZWXQMHJEBFA-IZZNHLLZSA-N	-1	3	696.782	1.775	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	ZINC000575426335	1066346120	/nfs/dbraw/zinc/34/61/20/1066346120.db2.gz	RETZWXQMHJEBFA-UIOOFZCWSA-N	-1	3	696.782	1.775	40	0		KDABHM
O=S(=O)([N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000575426558	1066347092	/nfs/dbraw/zinc/34/70/92/1066347092.db2.gz	VRORDCJPERPHEP-FCHUYYIVSA-N	-1	3	522.626	1.841	40	0		KDABHM
O=S(=O)([N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000575426559	1066346819	/nfs/dbraw/zinc/34/68/19/1066346819.db2.gz	VRORDCJPERPHEP-FGZHOGPDSA-N	-1	3	522.626	1.841	40	0		KDABHM
O=S(=O)([N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000575426560	1066347058	/nfs/dbraw/zinc/34/70/58/1066347058.db2.gz	VRORDCJPERPHEP-VXKWHMMOSA-N	-1	3	522.626	1.841	40	0		KDABHM
O=S(=O)([N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000575426561	1066346792	/nfs/dbraw/zinc/34/67/92/1066346792.db2.gz	VRORDCJPERPHEP-YADHBBJMSA-N	-1	3	522.626	1.841	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000575426594	1066346943	/nfs/dbraw/zinc/34/69/43/1066346943.db2.gz	WNJLDPBPWUKLNP-BJKOFHAPSA-N	-1	3	582.678	1.858	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000575426595	1066346745	/nfs/dbraw/zinc/34/67/45/1066346745.db2.gz	WNJLDPBPWUKLNP-DNQXCXABSA-N	-1	3	582.678	1.858	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000575426596	1066346866	/nfs/dbraw/zinc/34/68/66/1066346866.db2.gz	WNJLDPBPWUKLNP-RPWUZVMVSA-N	-1	3	582.678	1.858	40	0		KDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000575426597	1066346987	/nfs/dbraw/zinc/34/69/87/1066346987.db2.gz	WNJLDPBPWUKLNP-ZEQRLZLVSA-N	-1	3	582.678	1.858	40	0		KDABHM