smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)s1	ZINC000159595920	186129618	/nfs/dbraw/zinc/12/96/18/186129618.db2.gz	GDCIJSZHFZISEY-UHFFFAOYSA-N	-1	1	305.285	2.656	20	70		DFIDMM
CCCc1cc(=O)[n-]c(SCC(=O)c2cccc(C#N)c2)n1	ZINC000160533487	425986703	/nfs/dbraw/zinc/98/67/03/425986703.db2.gz	DXHDGLNKTFTJGQ-UHFFFAOYSA-N	-1	1	313.382	2.981	20	70		DFIDMM
O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(F)cc1	ZINC000161198014	295399916	/nfs/dbraw/zinc/39/99/16/295399916.db2.gz	AMFSOFJNJRNUOE-UHFFFAOYSA-N	-1	1	313.325	2.975	20	70		DFIDMM
CC(C)c1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1	ZINC000160230733	197393766	/nfs/dbraw/zinc/39/37/66/197393766.db2.gz	KLZYWFLCOFMZMV-UHFFFAOYSA-N	-1	1	310.310	2.961	20	70		DFIDMM
CS[C@H](C)CNC(=O)c1ccc(Br)cc1[O-]	ZINC000159531472	425962307	/nfs/dbraw/zinc/96/23/07/425962307.db2.gz	JIOSZEDGYPNSRZ-SSDOTTSWSA-N	-1	1	304.209	2.636	20	70		DFIDMM
O=C(NCCc1ccco1)c1ccc(Br)c([O-])c1	ZINC000160552773	425987892	/nfs/dbraw/zinc/98/78/92/425987892.db2.gz	XXGBUDIDFHYGFX-UHFFFAOYSA-N	-1	1	310.147	2.720	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C)n1	ZINC000160665645	425991392	/nfs/dbraw/zinc/99/13/92/425991392.db2.gz	DGBAXKOAQXGTFN-UHFFFAOYSA-N	-1	1	322.386	2.516	20	70		DFIDMM
CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1nccs1	ZINC000159931134	295384039	/nfs/dbraw/zinc/38/40/39/295384039.db2.gz	NTCIYQGFPJJMLX-VIFPVBQESA-N	-1	1	318.370	2.851	20	70		DFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1	ZINC000160656474	295394167	/nfs/dbraw/zinc/39/41/67/295394167.db2.gz	ZFYGPCXRRBXOHU-UHFFFAOYSA-N	-1	1	324.793	2.859	20	70		DFIDMM
CC[C@H](C)[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161064064	295398235	/nfs/dbraw/zinc/39/82/35/295398235.db2.gz	ZZDSCRXHROCNQW-QWRGUYRKSA-N	-1	1	318.421	2.535	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)n[nH]1	ZINC000159961434	197376770	/nfs/dbraw/zinc/37/67/70/197376770.db2.gz	JKCDMSOQSSWZJS-UHFFFAOYSA-N	-1	1	314.798	2.602	20	70		DFIDMM
CC1([N-]S(=O)(=O)c2sccc2Br)CCC1	ZINC000159910547	425970105	/nfs/dbraw/zinc/97/01/05/425970105.db2.gz	DBIUPUYBDOFKST-UHFFFAOYSA-N	-1	1	310.238	2.732	20	70		DFIDMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000161297392	426017191	/nfs/dbraw/zinc/01/71/91/426017191.db2.gz	LAUQDHKWDORVEA-UHFFFAOYSA-N	-1	1	306.318	2.512	20	70		DFIDMM
CC(=O)N1CCCc2cc(NC(=O)c3ccccc3[O-])ccc21	ZINC000160308957	425977542	/nfs/dbraw/zinc/97/75/42/425977542.db2.gz	NICVKJTVSFUJKG-UHFFFAOYSA-N	-1	1	310.353	2.944	20	70		DFIDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1nccs1	ZINC000159916785	295383621	/nfs/dbraw/zinc/38/36/21/295383621.db2.gz	QFSURWIUMJOFDI-SNVBAGLBSA-N	-1	1	318.370	2.851	20	70		DFIDMM
Cc1cc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)n[nH]1	ZINC000160495974	295392206	/nfs/dbraw/zinc/39/22/06/295392206.db2.gz	BAEFIIPWJSYZOF-UHFFFAOYSA-N	-1	1	310.313	2.863	20	70		DFIDMM
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1	ZINC000159528955	425961862	/nfs/dbraw/zinc/96/18/62/425961862.db2.gz	WKAZQAYUCPPWTI-KOLCDFICSA-N	-1	1	311.765	2.507	20	70		DFIDMM
O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(F)c(F)c1F	ZINC000160148741	425975532	/nfs/dbraw/zinc/97/55/32/425975532.db2.gz	OWZLIGIHOPPBMR-UHFFFAOYSA-N	-1	1	305.321	2.572	20	70		DFIDMM
CC(C)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000161163812	277495431	/nfs/dbraw/zinc/49/54/31/277495431.db2.gz	GJUJAZJLLCYELG-LLVKDONJSA-N	-1	1	307.350	2.594	20	70		DFIDMM
CCCCC1CCC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1	ZINC000160371556	519918100	/nfs/dbraw/zinc/91/81/00/519918100.db2.gz	ISETYWDLOALXLT-NRXISQOPSA-N	-1	1	319.453	2.902	20	70		DFIDMM
C[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000160629649	398971448	/nfs/dbraw/zinc/97/14/48/398971448.db2.gz	JFRQOOIBURXQJG-YFKPBYRVSA-N	-1	1	313.593	2.837	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)n1	ZINC000160671341	425992408	/nfs/dbraw/zinc/99/24/08/425992408.db2.gz	QSDLFMULBLYSPV-UHFFFAOYSA-N	-1	1	306.387	2.816	20	70		DFIDMM
O=S(=O)([N-]CCc1ccccc1O)c1cc2ccccc2o1	ZINC000159662548	295379938	/nfs/dbraw/zinc/37/99/38/295379938.db2.gz	SOVDQBAQPZAMBY-UHFFFAOYSA-N	-1	1	317.366	2.659	20	70		DFIDMM
CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1nccs1	ZINC000159966309	295384573	/nfs/dbraw/zinc/38/45/73/295384573.db2.gz	INEQYTRZIDGCQI-JTQLQIEISA-N	-1	1	318.370	2.851	20	70		DFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1	ZINC000160646369	295394269	/nfs/dbraw/zinc/39/42/69/295394269.db2.gz	ZYEVYLHUVFBRRJ-UHFFFAOYSA-N	-1	1	324.793	2.859	20	70		DFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)cc1	ZINC000160682576	295394576	/nfs/dbraw/zinc/39/45/76/295394576.db2.gz	SOALYHIJZNRBLN-UHFFFAOYSA-N	-1	1	306.387	2.762	20	70		DFIDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)c(C)c1	ZINC000160680069	295394625	/nfs/dbraw/zinc/39/46/25/295394625.db2.gz	AAHCRNKDPBFNLS-UHFFFAOYSA-N	-1	1	322.386	2.516	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)n1	ZINC000160662598	425990485	/nfs/dbraw/zinc/99/04/85/425990485.db2.gz	DIMNSUGZRJLTTR-UHFFFAOYSA-N	-1	1	306.387	2.816	20	70		DFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)[nH]n1	ZINC000160654279	425991309	/nfs/dbraw/zinc/99/13/09/425991309.db2.gz	SILJOAGMEIYBOS-JTQLQIEISA-N	-1	1	321.402	2.657	20	70		DFIDMM
CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)on1	ZINC000161484731	426026261	/nfs/dbraw/zinc/02/62/61/426026261.db2.gz	FGXJMNDFSOHPHA-VIFPVBQESA-N	-1	1	312.333	2.621	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)n1	ZINC000160677524	295394669	/nfs/dbraw/zinc/39/46/69/295394669.db2.gz	YCOCUQXMSZQXII-UHFFFAOYSA-N	-1	1	310.350	2.647	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)[nH]n1	ZINC000159935245	197375165	/nfs/dbraw/zinc/37/51/65/197375165.db2.gz	RKOMSCHFFZDDAU-UHFFFAOYSA-N	-1	1	315.345	2.831	20	70		DFIDMM
CCCCNC(=O)c1cc(I)ccc1[O-]	ZINC000217499825	268138467	/nfs/dbraw/zinc/13/84/67/268138467.db2.gz	XBDXYHOTJAVSSR-UHFFFAOYSA-N	-1	1	319.142	2.527	20	70		DFIDMM
CCCC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1	ZINC000160727639	425994492	/nfs/dbraw/zinc/99/44/92/425994492.db2.gz	NGKQNLZNMWDKPR-UHFFFAOYSA-N	-1	1	305.422	2.686	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)n2)o1	ZINC000160294034	425978050	/nfs/dbraw/zinc/97/80/50/425978050.db2.gz	QIRQXIYEMPNIOE-QMTHXVAHSA-N	-1	1	324.340	2.876	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(OCC)cc2)[nH]n1	ZINC000159933413	295383897	/nfs/dbraw/zinc/38/38/97/295383897.db2.gz	WVTZZDGGEFYSQO-UHFFFAOYSA-N	-1	1	323.418	2.952	20	70		DFIDMM
CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1nccs1	ZINC000159931278	295384010	/nfs/dbraw/zinc/38/40/10/295384010.db2.gz	NTCIYQGFPJJMLX-SECBINFHSA-N	-1	1	318.370	2.851	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)[nH]n1	ZINC000159948980	295384148	/nfs/dbraw/zinc/38/41/48/295384148.db2.gz	RCDGYISPXLFLSC-UHFFFAOYSA-N	-1	1	323.418	2.870	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)[nH]n1	ZINC000159969791	295384768	/nfs/dbraw/zinc/38/47/68/295384768.db2.gz	YZQDXQQYUAYALE-UHFFFAOYSA-N	-1	1	315.345	2.831	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)n1	ZINC000160676345	295394520	/nfs/dbraw/zinc/39/45/20/295394520.db2.gz	HMPAJGBCHULXNO-UHFFFAOYSA-N	-1	1	324.377	2.955	20	70		DFIDMM
Cc1ccn(C)c(=O)c1NC(=O)c1ccc2ccccc2c1[O-]	ZINC000161347995	267548436	/nfs/dbraw/zinc/54/84/36/267548436.db2.gz	UFFTWVJKBNDOBJ-UHFFFAOYSA-N	-1	1	308.337	2.805	20	70		DFIDMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160423843	425981621	/nfs/dbraw/zinc/98/16/21/425981621.db2.gz	HYUJXSFYOPHXMY-BDJLRTHQSA-N	-1	1	309.793	2.813	20	70		DFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc3cnccc32)[nH]n1	ZINC000160642180	425990912	/nfs/dbraw/zinc/99/09/12/425990912.db2.gz	KIALYQGCVANSHL-UHFFFAOYSA-N	-1	1	316.386	2.882	20	70		DFIDMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(C)c1C	ZINC000160644948	425991322	/nfs/dbraw/zinc/99/13/22/425991322.db2.gz	FUAOETBYWGORFI-UHFFFAOYSA-N	-1	1	323.418	2.959	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)CCC(=O)c3ccccc3)n2)o1	ZINC000160348762	425979079	/nfs/dbraw/zinc/97/90/79/425979079.db2.gz	XHUYYSGAGPUEAL-UHFFFAOYSA-N	-1	1	324.340	2.975	20	70		DFIDMM
CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)on1	ZINC000161484609	426026663	/nfs/dbraw/zinc/02/66/63/426026663.db2.gz	FGXJMNDFSOHPHA-SECBINFHSA-N	-1	1	312.333	2.621	20	70		DFIDMM
CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1nccs1	ZINC000159916658	295383679	/nfs/dbraw/zinc/38/36/79/295383679.db2.gz	QFSURWIUMJOFDI-JTQLQIEISA-N	-1	1	318.370	2.851	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)[nH]n1	ZINC000159961020	295384587	/nfs/dbraw/zinc/38/45/87/295384587.db2.gz	RSSQRAPGCVFILU-UHFFFAOYSA-N	-1	1	321.402	2.756	20	70		DFIDMM
CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1nccs1	ZINC000159966435	295384728	/nfs/dbraw/zinc/38/47/28/295384728.db2.gz	INEQYTRZIDGCQI-SNVBAGLBSA-N	-1	1	318.370	2.851	20	70		DFIDMM
CC[C@H](C)[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161063795	295398057	/nfs/dbraw/zinc/39/80/57/295398057.db2.gz	ZZDSCRXHROCNQW-WDEREUQCSA-N	-1	1	318.421	2.535	20	70		DFIDMM
CC[C@H](C)NC(=O)c1cc(I)ccc1[O-]	ZINC000217453196	268138280	/nfs/dbraw/zinc/13/82/80/268138280.db2.gz	ZUACOOTUCJMTRK-ZETCQYMHSA-N	-1	1	319.142	2.525	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)n1	ZINC000160671978	425992650	/nfs/dbraw/zinc/99/26/50/425992650.db2.gz	UNHCILCMSQSZKX-UHFFFAOYSA-N	-1	1	318.398	2.688	20	70		DFIDMM
CCOC(C)(C)CNC(=O)c1ccc(Br)cc1[O-]	ZINC000159489512	425961695	/nfs/dbraw/zinc/96/16/95/425961695.db2.gz	YFNSQADYAHXFBG-UHFFFAOYSA-N	-1	1	316.195	2.700	20	70		DFIDMM
COc1ccc(C(=O)N(C)c2ccc(OC)c(F)c2)c([O-])c1	ZINC000159739863	425966809	/nfs/dbraw/zinc/96/68/09/425966809.db2.gz	CBCGYOSOYIQDTI-UHFFFAOYSA-N	-1	1	305.305	2.825	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Cl)ccn3)n2)o1	ZINC000160267879	425977737	/nfs/dbraw/zinc/97/77/37/425977737.db2.gz	XRHDUAXKWIZXRB-UHFFFAOYSA-N	-1	1	303.709	2.674	20	70		DFIDMM
O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cc2ccccc2o1	ZINC000159556246	295378176	/nfs/dbraw/zinc/37/81/76/295378176.db2.gz	QJPVVFIREHZQMG-CQSZACIVSA-N	-1	1	323.414	2.652	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)n[nH]1	ZINC000159971807	295384544	/nfs/dbraw/zinc/38/45/44/295384544.db2.gz	IHVVPCKCQDOQLC-UHFFFAOYSA-N	-1	1	315.345	2.831	20	70		DFIDMM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1F	ZINC000160374634	145220443	/nfs/dbraw/zinc/22/04/43/145220443.db2.gz	ZCJUFCQRLIBAOJ-UHFFFAOYSA-N	-1	1	306.318	2.507	20	70		DFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)[nH]n1	ZINC000160654146	425990626	/nfs/dbraw/zinc/99/06/26/425990626.db2.gz	SILJOAGMEIYBOS-SNVBAGLBSA-N	-1	1	321.402	2.657	20	70		DFIDMM
Cc1cccc2c(=O)c(C(=O)[N-]OCCC(F)(F)F)c[nH]c12	ZINC000161005028	426005067	/nfs/dbraw/zinc/00/50/67/426005067.db2.gz	GICLGTZWTPQOAM-UHFFFAOYSA-N	-1	1	314.263	2.863	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(F)c(F)c3)n2)o1	ZINC000160261103	425977956	/nfs/dbraw/zinc/97/79/56/425977956.db2.gz	WZHNJOOHXXDIMG-UHFFFAOYSA-N	-1	1	318.283	2.833	20	70		DFIDMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000161285219	426017633	/nfs/dbraw/zinc/01/76/33/426017633.db2.gz	ITYUUKPDOXDANI-UHFFFAOYSA-N	-1	1	311.334	2.731	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cccc(F)c2F)[nH]n1	ZINC000159958728	197375937	/nfs/dbraw/zinc/37/59/37/197375937.db2.gz	CQHMLMWFAMUVDL-UHFFFAOYSA-N	-1	1	315.345	2.831	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccc(C#N)cc3)n2)o1	ZINC000160326624	425979761	/nfs/dbraw/zinc/97/97/61/425979761.db2.gz	PYSKWTVNUDFLOJ-UHFFFAOYSA-N	-1	1	321.340	2.816	20	70		DFIDMM
Cc1cc(C[C@H](C)NC(=O)c2cc3ccccc3cc2[O-])[nH]n1	ZINC000161329226	426020279	/nfs/dbraw/zinc/02/02/79/426020279.db2.gz	OCYWQHJUAPOIFP-NSHDSACASA-N	-1	1	309.369	2.938	20	70		DFIDMM
N#C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CCCCC1	ZINC000161159681	332900020	/nfs/dbraw/zinc/90/00/20/332900020.db2.gz	ZAZZLUNQSFBDSH-LBPRGKRZSA-N	-1	1	314.357	2.716	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C)n1	ZINC000160664567	425991594	/nfs/dbraw/zinc/99/15/94/425991594.db2.gz	YTLTVIIKVJBSMJ-UHFFFAOYSA-N	-1	1	306.387	2.816	20	70		DFIDMM
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000159528437	425962151	/nfs/dbraw/zinc/96/21/51/425962151.db2.gz	AGWODBKQZOROKU-KOLCDFICSA-N	-1	1	311.765	2.507	20	70		DFIDMM
O=S(=O)([N-]CC1(O)CCCCCC1)c1cc2ccccc2o1	ZINC000160981081	295397306	/nfs/dbraw/zinc/39/73/06/295397306.db2.gz	FTKYMYTWFJJWKW-UHFFFAOYSA-N	-1	1	323.414	2.796	20	70		DFIDMM
CCc1nnc([N-]C(=O)c2c(C)onc2-c2ccccn2)s1	ZINC000159986007	522776638	/nfs/dbraw/zinc/77/66/38/522776638.db2.gz	XADOVLKINFWPAS-UHFFFAOYSA-N	-1	1	315.358	2.711	20	70		DFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)co1	ZINC000159402750	197351151	/nfs/dbraw/zinc/35/11/51/197351151.db2.gz	RCGYVOAQVTZBDU-UHFFFAOYSA-N	-1	1	322.386	2.563	20	70		DFIDMM
COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1F	ZINC000160374368	145220669	/nfs/dbraw/zinc/22/06/69/145220669.db2.gz	WVYRZYAAZJVPSQ-UHFFFAOYSA-N	-1	1	306.318	2.507	20	70		DFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C	ZINC000160483692	295392173	/nfs/dbraw/zinc/39/21/73/295392173.db2.gz	KOYSMKCXONACHH-UHFFFAOYSA-N	-1	1	323.418	2.923	20	70		DFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000161463860	304019980	/nfs/dbraw/zinc/01/99/80/304019980.db2.gz	HNRALRVZZMVCAU-RKDXNWHRSA-N	-1	1	302.300	2.978	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2sccc2OC)[nH]n1	ZINC000159956600	197375821	/nfs/dbraw/zinc/37/58/21/197375821.db2.gz	FTJFBDMVJZAHMK-UHFFFAOYSA-N	-1	1	315.420	2.623	20	70		DFIDMM
CCOc1cccc([N-]S(=O)(=O)Cc2cccc(F)c2)n1	ZINC000160969873	542726270	/nfs/dbraw/zinc/72/62/70/542726270.db2.gz	CXMCVHCQRLNEKW-UHFFFAOYSA-N	-1	1	310.350	2.561	20	70		DFIDMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000160424088	425982017	/nfs/dbraw/zinc/98/20/17/425982017.db2.gz	HYUJXSFYOPHXMY-MEDUHNTESA-N	-1	1	309.793	2.813	20	70		DFIDMM
N#C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CCCCC1	ZINC000161159763	426011567	/nfs/dbraw/zinc/01/15/67/426011567.db2.gz	ZAZZLUNQSFBDSH-GFCCVEGCSA-N	-1	1	314.357	2.716	20	70		DFIDMM
Cn1ccnc1-c1csc(NC(=O)c2ccccc2[O-])n1	ZINC000161302354	426018900	/nfs/dbraw/zinc/01/89/00/426018900.db2.gz	OZGRATYYFVNJHS-UHFFFAOYSA-N	-1	1	300.343	2.502	20	70		DFIDMM
COCc1nc(C)c(C(=O)[N-]c2nnc(C(F)F)s2)s1	ZINC000159958903	295384643	/nfs/dbraw/zinc/38/46/43/295384643.db2.gz	NNWKGYNQSZJBMV-UHFFFAOYSA-N	-1	1	320.346	2.639	20	70		DFIDMM
CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)c1	ZINC000160674926	295394246	/nfs/dbraw/zinc/39/42/46/295394246.db2.gz	ZUMVCBPKLXJJGU-UHFFFAOYSA-N	-1	1	306.387	2.762	20	70		DFIDMM
CCCCC1CCC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1	ZINC000160371691	519918580	/nfs/dbraw/zinc/91/85/80/519918580.db2.gz	ISETYWDLOALXLT-YMAMQOFZSA-N	-1	1	319.453	2.902	20	70		DFIDMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2C)cc1	ZINC000160663696	425990613	/nfs/dbraw/zinc/99/06/13/425990613.db2.gz	DRZRCNDSQNDPOS-UHFFFAOYSA-N	-1	1	322.386	2.598	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)Cc3cc(F)ccc3F)n2)o1	ZINC000160346200	425978919	/nfs/dbraw/zinc/97/89/19/425978919.db2.gz	HLSZMDGFHVYJSF-UHFFFAOYSA-N	-1	1	318.283	2.833	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)C(=O)c3ccc(C)cc3)n2)o1	ZINC000160337382	425979252	/nfs/dbraw/zinc/97/92/52/425979252.db2.gz	JQBGAYMDGABBJG-UHFFFAOYSA-N	-1	1	310.313	2.503	20	70		DFIDMM
Cc1ccc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)ccc2n1	ZINC000159596083	295378880	/nfs/dbraw/zinc/37/88/80/295378880.db2.gz	FJGTVJXEBZXBTP-UHFFFAOYSA-N	-1	1	321.262	2.932	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2c(F)cccc2F)[nH]n1	ZINC000159934476	295384025	/nfs/dbraw/zinc/38/40/25/295384025.db2.gz	NIXLUFVAAVLXST-UHFFFAOYSA-N	-1	1	315.345	2.831	20	70		DFIDMM
CC[C@@H](C)NC(=O)c1cc(I)ccc1[O-]	ZINC000217453115	268138705	/nfs/dbraw/zinc/13/87/05/268138705.db2.gz	ZUACOOTUCJMTRK-SSDOTTSWSA-N	-1	1	319.142	2.525	20	70		DFIDMM
O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(F)c(F)cc1F	ZINC000160145598	425974997	/nfs/dbraw/zinc/97/49/97/425974997.db2.gz	AGRZTCHDVWMYME-UHFFFAOYSA-N	-1	1	305.321	2.572	20	70		DFIDMM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2c(c1)CCC2	ZINC000161292153	426017707	/nfs/dbraw/zinc/01/77/07/426017707.db2.gz	WYGNFLDAMKTINE-UHFFFAOYSA-N	-1	1	307.346	2.821	20	70		DFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1C1CCCCC1	ZINC000161463627	304019921	/nfs/dbraw/zinc/01/99/21/304019921.db2.gz	HNRALRVZZMVCAU-BDAKNGLRSA-N	-1	1	302.300	2.978	20	70		DFIDMM
C[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000160629778	398971337	/nfs/dbraw/zinc/97/13/37/398971337.db2.gz	JFRQOOIBURXQJG-RXMQYKEDSA-N	-1	1	313.593	2.837	20	70		DFIDMM
Cc1cc(C[C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])[nH]n1	ZINC000161329126	426018150	/nfs/dbraw/zinc/01/81/50/426018150.db2.gz	OCYWQHJUAPOIFP-LLVKDONJSA-N	-1	1	309.369	2.938	20	70		DFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)noc2C)[nH]n1	ZINC000159882584	295382939	/nfs/dbraw/zinc/38/29/39/295382939.db2.gz	DLUPPAYJIJUFHH-QMMMGPOBSA-N	-1	1	312.395	2.719	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)[nH]n1	ZINC000159970524	295384685	/nfs/dbraw/zinc/38/46/85/295384685.db2.gz	ZWFAKZWIDYAALT-UHFFFAOYSA-N	-1	1	321.402	2.756	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(C)n1	ZINC000160673494	295394259	/nfs/dbraw/zinc/39/42/59/295394259.db2.gz	KKLDSPGXARYDQS-UHFFFAOYSA-N	-1	1	324.427	2.921	20	70		DFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1C1CCCCC1	ZINC000161463507	426025739	/nfs/dbraw/zinc/02/57/39/426025739.db2.gz	HNRALRVZZMVCAU-IUCAKERBSA-N	-1	1	302.300	2.978	20	70		DFIDMM
O=C(CCc1ccc(F)cc1F)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160505345	425985110	/nfs/dbraw/zinc/98/51/10/425985110.db2.gz	LZMYLVNCCXAKDV-UHFFFAOYSA-N	-1	1	320.221	2.673	20	70		DFIDMM
CCc1nnc([N-]C(=O)c2c(C)onc2-c2ccncc2)s1	ZINC000159986603	425972250	/nfs/dbraw/zinc/97/22/50/425972250.db2.gz	UHFNDCCZJHSCDF-UHFFFAOYSA-N	-1	1	315.358	2.711	20	70		DFIDMM
CCc1cc(=O)[nH]c(C[N@@H+](C)CCCOc2ccccc2)n1	ZINC000160809927	295395385	/nfs/dbraw/zinc/39/53/85/295395385.db2.gz	YRAWCXLPCDABSF-UHFFFAOYSA-N	-1	1	301.390	2.646	20	70		DFIDMM
C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-]	ZINC000159381422	604667289	/nfs/dbraw/zinc/66/72/89/604667289.db2.gz	SGOZABMBUFWDRG-UFBFGSQYSA-N	-1	1	305.271	2.997	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)[nH]n1	ZINC000159935409	295384240	/nfs/dbraw/zinc/38/42/40/295384240.db2.gz	IGSMCWOAIWOFKE-UHFFFAOYSA-N	-1	1	323.418	2.870	20	70		DFIDMM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1C	ZINC000160648240	425991346	/nfs/dbraw/zinc/99/13/46/425991346.db2.gz	DMKNHBUTWLPNAU-UHFFFAOYSA-N	-1	1	323.418	2.959	20	70		DFIDMM
CC[C@@H](C)[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161063908	295398107	/nfs/dbraw/zinc/39/81/07/295398107.db2.gz	ZZDSCRXHROCNQW-MNOVXSKESA-N	-1	1	318.421	2.535	20	70		DFIDMM
CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ncc[nH]1	ZINC000218080870	535872289	/nfs/dbraw/zinc/87/22/89/535872289.db2.gz	ZOKKOXYWXVWIEJ-JTQLQIEISA-N	-1	1	324.178	2.759	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3c([O-])cc(F)cc3F)n2)o1	ZINC000160197259	542722238	/nfs/dbraw/zinc/72/22/38/542722238.db2.gz	FZKHPRXOCVBXAX-UHFFFAOYSA-N	-1	1	320.255	2.609	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)CCC3CCOCC3)n2)o1	ZINC000160346470	425979387	/nfs/dbraw/zinc/97/93/87/425979387.db2.gz	RHNYNKZBBFNWQF-UHFFFAOYSA-N	-1	1	304.350	2.518	20	70		DFIDMM
CCCc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1	ZINC000159838176	197368476	/nfs/dbraw/zinc/36/84/76/197368476.db2.gz	SVNZPYPVMQQJIE-UHFFFAOYSA-N	-1	1	310.310	2.790	20	70		DFIDMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160424207	425982177	/nfs/dbraw/zinc/98/21/77/425982177.db2.gz	HYUJXSFYOPHXMY-ZBEGNZNMSA-N	-1	1	309.793	2.813	20	70		DFIDMM
COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1C	ZINC000160647322	425990851	/nfs/dbraw/zinc/99/08/51/425990851.db2.gz	CEAOJDRIMRBXFW-UHFFFAOYSA-N	-1	1	323.418	2.959	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)n1	ZINC000160665118	295394124	/nfs/dbraw/zinc/39/41/24/295394124.db2.gz	JVXOCFMOCUDZHA-UHFFFAOYSA-N	-1	1	310.350	2.647	20	70		DFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1C1CCCCC1	ZINC000161463734	304020089	/nfs/dbraw/zinc/02/00/89/304020089.db2.gz	HNRALRVZZMVCAU-DTWKUNHWSA-N	-1	1	302.300	2.978	20	70		DFIDMM
CN(Cc1cccn1C)C(=O)c1cc(Br)ccc1[O-]	ZINC000160508579	425984979	/nfs/dbraw/zinc/98/49/79/425984979.db2.gz	MRFPUCLRZKVGAY-UHFFFAOYSA-N	-1	1	323.190	2.765	20	70		DFIDMM
CS[C@@H](C)CNC(=O)c1ccc(Br)cc1[O-]	ZINC000159531335	425962292	/nfs/dbraw/zinc/96/22/92/425962292.db2.gz	JIOSZEDGYPNSRZ-ZETCQYMHSA-N	-1	1	304.209	2.636	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)noc3Cl)n2)o1	ZINC000160278371	425977276	/nfs/dbraw/zinc/97/72/76/425977276.db2.gz	HUOYWENMBHWRES-UHFFFAOYSA-N	-1	1	321.724	2.504	20	70		DFIDMM
O=S(=O)(Cc1ccc(-n2cccn2)cc1)c1ccc([O-])cc1	ZINC000161209612	426013572	/nfs/dbraw/zinc/01/35/72/426013572.db2.gz	PXZCLUQYMAUUAD-UHFFFAOYSA-N	-1	1	314.366	2.552	20	70		DFIDMM
O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc2ccccc2o1	ZINC000159556119	295378188	/nfs/dbraw/zinc/37/81/88/295378188.db2.gz	QJPVVFIREHZQMG-AWEZNQCLSA-N	-1	1	323.414	2.652	20	70		DFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)noc2C)[nH]n1	ZINC000159882443	295382885	/nfs/dbraw/zinc/38/28/85/295382885.db2.gz	DLUPPAYJIJUFHH-MRVPVSSYSA-N	-1	1	312.395	2.719	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)n1	ZINC000160681665	295394612	/nfs/dbraw/zinc/39/46/12/295394612.db2.gz	AYWZVTSEQAOYSV-UHFFFAOYSA-N	-1	1	310.350	2.647	20	70		DFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)COc3cccc(C)c3)n2)o1	ZINC000160328523	425978895	/nfs/dbraw/zinc/97/88/95/425978895.db2.gz	CZYDSCMJUZDTJQ-UHFFFAOYSA-N	-1	1	312.329	2.699	20	70		DFIDMM
CC(C)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000161163692	277449742	/nfs/dbraw/zinc/44/97/42/277449742.db2.gz	GJUJAZJLLCYELG-NSHDSACASA-N	-1	1	307.350	2.594	20	70		DFIDMM
CO[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1Cl	ZINC000160547175	542723841	/nfs/dbraw/zinc/72/38/41/542723841.db2.gz	HFJLXXKWSIPXHD-ZDUSSCGKSA-N	-1	1	306.749	2.558	20	70		DFIDMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160423938	425982230	/nfs/dbraw/zinc/98/22/30/425982230.db2.gz	HYUJXSFYOPHXMY-BZNIZROVSA-N	-1	1	309.793	2.813	20	70		DFIDMM
Cc1ccn(C)c(=O)c1NC(=O)c1cc2ccccc2cc1[O-]	ZINC000161347323	426019572	/nfs/dbraw/zinc/01/95/72/426019572.db2.gz	VIFRTHBXYIRFMN-UHFFFAOYSA-N	-1	1	308.337	2.805	20	70		DFIDMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1	ZINC000161184236	295399989	/nfs/dbraw/zinc/39/99/89/295399989.db2.gz	KIJHFDTVFOIVFK-UHFFFAOYSA-N	-1	1	320.345	2.707	20	70		DFIDMM
C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-]	ZINC000159381284	604667357	/nfs/dbraw/zinc/66/73/57/604667357.db2.gz	SGOZABMBUFWDRG-PELKAZGASA-N	-1	1	305.271	2.997	20	70		DFIDMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c([N+](=O)[O-])c1	ZINC000160640992	398971770	/nfs/dbraw/zinc/97/17/70/398971770.db2.gz	HSPMGELGGBNWFS-UHFFFAOYSA-N	-1	1	324.362	2.551	20	70		DFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)[nH]n1	ZINC000159955110	197376202	/nfs/dbraw/zinc/37/62/02/197376202.db2.gz	AKXOVKOSIOROKW-UHFFFAOYSA-N	-1	1	318.402	2.733	20	70		DFIDMM
CO[C@H](CNC(=O)c1ncccc1[O-])c1ccccc1Cl	ZINC000160547310	542723511	/nfs/dbraw/zinc/72/35/11/542723511.db2.gz	HFJLXXKWSIPXHD-CYBMUJFWSA-N	-1	1	306.749	2.558	20	70		DFIDMM
CC(C)(C)NC(=O)c1cc(I)ccc1[O-]	ZINC000217471768	268138828	/nfs/dbraw/zinc/13/88/28/268138828.db2.gz	KJKOZGDKZJXSPW-UHFFFAOYSA-N	-1	1	319.142	2.525	20	70		DFIDMM
COc1cc2nc(-c3ccc4c(c3)CCO4)[n-]c(=O)c2cc1OC	ZINC000160327313	425978787	/nfs/dbraw/zinc/97/87/87/425978787.db2.gz	MHCIHUUUJIROEU-UHFFFAOYSA-N	-1	1	324.336	2.542	20	70		DFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)n1	ZINC000160683101	295394640	/nfs/dbraw/zinc/39/46/40/295394640.db2.gz	BQPBWXADFARYKW-UHFFFAOYSA-N	-1	1	312.778	2.853	20	70		DFIDMM
CC[C@@H](C)[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161063695	295397992	/nfs/dbraw/zinc/39/79/92/295397992.db2.gz	ZZDSCRXHROCNQW-GHMZBOCLSA-N	-1	1	318.421	2.535	20	70		DFIDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1	ZINC000161193175	295399970	/nfs/dbraw/zinc/39/99/70/295399970.db2.gz	BYJATACAPJSHAV-UHFFFAOYSA-N	-1	1	320.345	2.707	20	70		DFIDMM
COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(C)c1	ZINC000160655886	425991627	/nfs/dbraw/zinc/99/16/27/425991627.db2.gz	BCQGWXCATLJUFK-UHFFFAOYSA-N	-1	1	309.391	2.651	20	70		DFIDMM
CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ncc[nH]1	ZINC000218080793	535799862	/nfs/dbraw/zinc/79/98/62/535799862.db2.gz	ZOKKOXYWXVWIEJ-SNVBAGLBSA-N	-1	1	324.178	2.759	20	70		DFIDMM
O=S(=O)([N-]c1cccc(OCCF)c1)c1cccc(F)c1	ZINC000161184606	426012781	/nfs/dbraw/zinc/01/27/81/426012781.db2.gz	JHJXMXICOUFBGA-UHFFFAOYSA-N	-1	1	313.325	2.975	20	70		DFIDMM