smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O[N-]C(=O)CCCc1ccccc1)C(=O)N1CCC(C)CC1	ZINC000160790913	206313957	/nfs/dbraw/zinc/31/39/57/206313957.db2.gz	RLZOUTPCXXSPSG-MRXNPFEDSA-N	-1	1	332.444	2.704	20	70		EFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cccc(F)c1F	ZINC000161460295	206349882	/nfs/dbraw/zinc/34/98/82/206349882.db2.gz	NWPQOLXPHLNTLA-RNFRBKRXSA-N	-1	1	332.232	2.844	20	70		EFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1cccc(F)c1F	ZINC000161460200	206350068	/nfs/dbraw/zinc/35/00/68/206350068.db2.gz	NWPQOLXPHLNTLA-NKWVEPMBSA-N	-1	1	332.232	2.844	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)n1	ZINC000160661488	544807552	/nfs/dbraw/zinc/80/75/52/544807552.db2.gz	WUEJGPSUNLIWCP-UHFFFAOYSA-N	-1	1	330.768	2.992	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C	ZINC000161099091	310705968	/nfs/dbraw/zinc/70/59/68/310705968.db2.gz	WAHFLLKANWUKGM-WFASDCNBSA-N	-1	1	344.459	2.927	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C	ZINC000161099315	473206461	/nfs/dbraw/zinc/20/64/61/473206461.db2.gz	WAHFLLKANWUKGM-DOMZBBRYSA-N	-1	1	344.459	2.927	20	70		EFIDMM
COc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1	ZINC000161182884	473215021	/nfs/dbraw/zinc/21/50/21/473215021.db2.gz	FTGJZJNIHQXJSC-UHFFFAOYSA-N	-1	1	325.361	2.844	20	70		EFIDMM
CC(C)(C)c1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)s1	ZINC000159551638	473038152	/nfs/dbraw/zinc/03/81/52/473038152.db2.gz	WAGGZAPNTLUKNA-UHFFFAOYSA-N	-1	1	349.456	2.945	20	70		EFIDMM
CCC(CC)n1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C	ZINC000160812300	473177776	/nfs/dbraw/zinc/17/77/76/473177776.db2.gz	VZGJGDXAPWWZQA-UHFFFAOYSA-N	-1	1	330.314	2.942	20	70		EFIDMM
O=C(Cc1cccc(Br)c1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160859516	473184316	/nfs/dbraw/zinc/18/43/16/473184316.db2.gz	XEEBURVGIRKHRN-UHFFFAOYSA-N	-1	1	349.110	2.767	20	70		EFIDMM
CC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000160311453	529377899	/nfs/dbraw/zinc/37/78/99/529377899.db2.gz	FKMUTAYLGGOMCO-NSHDSACASA-N	-1	1	345.770	2.798	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@H]3CCO[C@H](C4CC4)C3)nc2)[n-]c(=O)c1C	ZINC000160318299	225387243	/nfs/dbraw/zinc/38/72/43/225387243.db2.gz	HWQHQUGVNSFDTA-HOTGVXAUSA-N	-1	1	340.427	2.818	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@@H]3CCO[C@H](C4CC4)C3)nc2)[n-]c(=O)c1C	ZINC000160318197	225387602	/nfs/dbraw/zinc/38/76/02/225387602.db2.gz	HWQHQUGVNSFDTA-CVEARBPZSA-N	-1	1	340.427	2.818	20	70		EFIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCS[C@H]2COCC[C@@H]21	ZINC000160971690	280199577	/nfs/dbraw/zinc/19/95/77/280199577.db2.gz	ILKCLKLGRMMYHV-HOTGVXAUSA-N	-1	1	329.421	2.892	20	70		EFIDMM
COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1[N-]S(C)(=O)=O	ZINC000159859371	473067248	/nfs/dbraw/zinc/06/72/48/473067248.db2.gz	OASSILQNZXBUGT-VXGBXAGGSA-N	-1	1	340.445	2.832	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)[nH]n1	ZINC000159954680	473075489	/nfs/dbraw/zinc/07/54/89/473075489.db2.gz	JOKMRFYFTWAPGV-NSHDSACASA-N	-1	1	335.429	2.877	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)C1CCCC1	ZINC000160091176	473087241	/nfs/dbraw/zinc/08/72/41/473087241.db2.gz	NSPHMXIRCGRNAQ-UHFFFAOYSA-N	-1	1	344.459	2.515	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c1C	ZINC000160481933	473131276	/nfs/dbraw/zinc/13/12/76/473131276.db2.gz	LYJGUDUNPOSNQA-UHFFFAOYSA-N	-1	1	344.234	2.898	20	70		EFIDMM
CC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1[O-]	ZINC000160967332	473195460	/nfs/dbraw/zinc/19/54/60/473195460.db2.gz	HHLMTWUDAIRZCU-UHFFFAOYSA-N	-1	1	334.397	2.768	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H](C)C1	ZINC000160982521	473196738	/nfs/dbraw/zinc/19/67/38/473196738.db2.gz	WKFOTHSLUOCSNY-DOMZBBRYSA-N	-1	1	344.459	2.927	20	70		EFIDMM
CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1F	ZINC000159606201	529194448	/nfs/dbraw/zinc/19/44/48/529194448.db2.gz	XEBZBBNOKOQDJU-CYBMUJFWSA-N	-1	1	330.356	2.999	20	70		EFIDMM
O=C([N-]CC1CCN(C(=O)c2cccc(Cl)c2)CC1)C(F)(F)F	ZINC000216726544	241207428	/nfs/dbraw/zinc/20/74/28/241207428.db2.gz	KAKDXLATYXEHGO-UHFFFAOYSA-N	-1	1	348.752	2.871	20	70		EFIDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(O)c1	ZINC000160175978	533480073	/nfs/dbraw/zinc/48/00/73/533480073.db2.gz	WCXOOMUHDLCRTJ-MRVPVSSYSA-N	-1	1	331.315	2.849	20	70		EFIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCS[C@@H]2COCC[C@@H]21	ZINC000160971819	304540707	/nfs/dbraw/zinc/54/07/07/304540707.db2.gz	ILKCLKLGRMMYHV-JKSUJKDBSA-N	-1	1	329.421	2.892	20	70		EFIDMM
O=C(c1ccc(Br)c([O-])c1)N(C[C@H]1CCOC1)C1CC1	ZINC000159815717	310691827	/nfs/dbraw/zinc/69/18/27/310691827.db2.gz	KKSHDBBPRSJJQA-SNVBAGLBSA-N	-1	1	340.217	2.796	20	70		EFIDMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1CC	ZINC000159986046	310693689	/nfs/dbraw/zinc/69/36/89/310693689.db2.gz	XDZADXRPJKNYNC-UHFFFAOYSA-N	-1	1	332.425	2.711	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C)n1	ZINC000160672417	310701506	/nfs/dbraw/zinc/70/15/06/310701506.db2.gz	RUVDLMMHIHWCIG-UHFFFAOYSA-N	-1	1	336.413	2.825	20	70		EFIDMM
CCOCCC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCC1	ZINC000161480062	473239332	/nfs/dbraw/zinc/23/93/32/473239332.db2.gz	GDFJLNLTYFXJAM-UHFFFAOYSA-N	-1	1	349.475	2.703	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C)c2Br)c1C	ZINC000160470884	473129528	/nfs/dbraw/zinc/12/95/28/473129528.db2.gz	ITMLWBWKMKFOBR-UHFFFAOYSA-N	-1	1	344.234	2.898	20	70		EFIDMM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1c(C)cccc1F	ZINC000160830284	473179885	/nfs/dbraw/zinc/17/98/85/473179885.db2.gz	IJVIEUMJVKRHQX-UHFFFAOYSA-N	-1	1	341.335	2.861	20	70		EFIDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(O)c1	ZINC000160175867	533965478	/nfs/dbraw/zinc/96/54/78/533965478.db2.gz	WCXOOMUHDLCRTJ-QMMMGPOBSA-N	-1	1	331.315	2.849	20	70		EFIDMM
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc([O-])cc1F	ZINC000161258456	527928831	/nfs/dbraw/zinc/92/88/31/527928831.db2.gz	YUPSREDMZKIUBL-UHFFFAOYSA-N	-1	1	346.358	2.641	20	70		EFIDMM
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2ccccc2c1[O-]	ZINC000161365719	239070271	/nfs/dbraw/zinc/07/02/71/239070271.db2.gz	BAMCVEIRQWGXIH-OAHLLOKOSA-N	-1	1	333.391	2.949	20	70		EFIDMM
O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc2ccccc2c1[O-]	ZINC000161365849	239070879	/nfs/dbraw/zinc/07/08/79/239070879.db2.gz	BAMCVEIRQWGXIH-HNNXBMFYSA-N	-1	1	333.391	2.949	20	70		EFIDMM
Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000159876958	225293601	/nfs/dbraw/zinc/29/36/01/225293601.db2.gz	RMVFZKPMENSPLM-ZETCQYMHSA-N	-1	1	348.346	2.618	20	70		EFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cccc(F)c1F	ZINC000161460082	473237554	/nfs/dbraw/zinc/23/75/54/473237554.db2.gz	NWPQOLXPHLNTLA-RQJHMYQMSA-N	-1	1	332.232	2.844	20	70		EFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1CC	ZINC000159912432	473072035	/nfs/dbraw/zinc/07/20/35/473072035.db2.gz	CAMLOCZSDZUPOG-UHFFFAOYSA-N	-1	1	332.425	2.711	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(OC)ccc2OC)n[nH]1	ZINC000159950013	473074437	/nfs/dbraw/zinc/07/44/37/473074437.db2.gz	WGSVQXLBFNKJGS-UHFFFAOYSA-N	-1	1	339.417	2.570	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)n1	ZINC000160673371	473159370	/nfs/dbraw/zinc/15/93/70/473159370.db2.gz	ISRIUBQNXYYYTF-UHFFFAOYSA-N	-1	1	342.804	2.861	20	70		EFIDMM
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160916363	473190965	/nfs/dbraw/zinc/19/09/65/473190965.db2.gz	WTPKAUJYCREGEH-ZBFHGGJFSA-N	-1	1	344.459	2.609	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H](C)C1	ZINC000160982398	473196534	/nfs/dbraw/zinc/19/65/34/473196534.db2.gz	WKFOTHSLUOCSNY-IUODEOHRSA-N	-1	1	344.459	2.927	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](C)C1	ZINC000160982146	473196950	/nfs/dbraw/zinc/19/69/50/473196950.db2.gz	WKFOTHSLUOCSNY-SWLSCSKDSA-N	-1	1	344.459	2.927	20	70		EFIDMM
O=C(N[C@H](CO)c1ccccc1)c1ccc(Br)c([O-])c1	ZINC000161054485	473202371	/nfs/dbraw/zinc/20/23/71/473202371.db2.gz	BSUXGHRVMXPNHS-CYBMUJFWSA-N	-1	1	336.185	2.618	20	70		EFIDMM
COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c([O-])c1	ZINC000160308813	239047149	/nfs/dbraw/zinc/04/71/49/239047149.db2.gz	YGKNKQDPAHJKJU-UHFFFAOYSA-N	-1	1	340.379	2.952	20	70		EFIDMM
O=C([N-]CC1CCN(C(=O)c2ccccc2Cl)CC1)C(F)(F)F	ZINC000216726622	241207394	/nfs/dbraw/zinc/20/73/94/241207394.db2.gz	AWIKARWOLQUCHD-UHFFFAOYSA-N	-1	1	348.752	2.871	20	70		EFIDMM
CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1F	ZINC000159606051	206253973	/nfs/dbraw/zinc/25/39/73/206253973.db2.gz	XEBZBBNOKOQDJU-ZDUSSCGKSA-N	-1	1	330.356	2.999	20	70		EFIDMM
Cc1nn(C)c(C)c1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000160674467	206308050	/nfs/dbraw/zinc/30/80/50/206308050.db2.gz	LEUZXARYGURODW-UHFFFAOYSA-N	-1	1	341.333	2.846	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4cncn4)cc3C)n2)o1	ZINC000160369459	544805164	/nfs/dbraw/zinc/80/51/64/544805164.db2.gz	HKZOUZRNHUIBIC-UHFFFAOYSA-N	-1	1	349.354	2.515	20	70		EFIDMM
O=S(=O)([N-]CCCF)c1c(Cl)cc(F)cc1Br	ZINC000161107341	473206819	/nfs/dbraw/zinc/20/68/19/473206819.db2.gz	UXRRJFXAFZKROK-UHFFFAOYSA-N	-1	1	348.596	2.880	20	70		EFIDMM
COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc1[N-]S(C)(=O)=O	ZINC000159859086	473067958	/nfs/dbraw/zinc/06/79/58/473067958.db2.gz	OASSILQNZXBUGT-NEPJUHHUSA-N	-1	1	340.445	2.832	20	70		EFIDMM
CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1	ZINC000160023220	473081294	/nfs/dbraw/zinc/08/12/94/473081294.db2.gz	GCUPNCZZXJRLEN-UHFFFAOYSA-N	-1	1	344.392	2.575	20	70		EFIDMM
O=C(c1ccc(Cl)cc1[O-])N1CCC(N2CCCCC2=O)CC1	ZINC000159456435	225221889	/nfs/dbraw/zinc/22/18/89/225221889.db2.gz	OLOFIDPVYIDDII-UHFFFAOYSA-N	-1	1	336.819	2.663	20	70		EFIDMM
Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000159849354	225290836	/nfs/dbraw/zinc/29/08/36/225290836.db2.gz	GYNOSXVVMNMWRS-ZETCQYMHSA-N	-1	1	348.346	2.618	20	70		EFIDMM
Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000159876816	225293467	/nfs/dbraw/zinc/29/34/67/225293467.db2.gz	RMVFZKPMENSPLM-SSDOTTSWSA-N	-1	1	348.346	2.618	20	70		EFIDMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCC(OC(C)C)CC1	ZINC000159541070	544796615	/nfs/dbraw/zinc/79/66/15/544796615.db2.gz	XPEHCSSCWUSZJV-UHFFFAOYSA-N	-1	1	349.475	2.842	20	70		EFIDMM
O=C(c1cc2ccccc2cc1[O-])N1CCS[C@@H]2COCC[C@H]21	ZINC000161061780	280172606	/nfs/dbraw/zinc/17/26/06/280172606.db2.gz	QIQMMFKNGJVJOQ-NVXWUHKLSA-N	-1	1	329.421	2.892	20	70		EFIDMM
COc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1F	ZINC000161202344	473216817	/nfs/dbraw/zinc/21/68/17/473216817.db2.gz	OEEOCJMKCKSEDA-UHFFFAOYSA-N	-1	1	343.351	2.983	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@@H](CO)CC(C)(C)C)nc2)[n-]c(=O)c1C	ZINC000161463665	473236928	/nfs/dbraw/zinc/23/69/28/473236928.db2.gz	KWSOZEIMQSACAR-CQSZACIVSA-N	-1	1	330.432	2.658	20	70		EFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)[nH]n1	ZINC000159881308	473068449	/nfs/dbraw/zinc/06/84/49/473068449.db2.gz	QFTTZQNVMZJTNQ-GFCCVEGCSA-N	-1	1	339.465	2.967	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cncc(Br)c3)n2)o1	ZINC000160224192	473098142	/nfs/dbraw/zinc/09/81/42/473098142.db2.gz	MEYNFHWTNWVSRJ-UHFFFAOYSA-N	-1	1	348.160	2.783	20	70		EFIDMM
CCOC(=O)c1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1	ZINC000160908641	473189230	/nfs/dbraw/zinc/18/92/30/473189230.db2.gz	NGNZNIQBCBSARM-UHFFFAOYSA-N	-1	1	347.730	2.899	20	70		EFIDMM
O=C(N[C@@H](CO)c1ccccc1)c1ccc(Br)c([O-])c1	ZINC000161054620	473202545	/nfs/dbraw/zinc/20/25/45/473202545.db2.gz	BSUXGHRVMXPNHS-ZDUSSCGKSA-N	-1	1	336.185	2.618	20	70		EFIDMM
O=C(c1cc2ccccc2cc1[O-])N1CCS[C@@H]2COCC[C@@H]21	ZINC000161061533	473203192	/nfs/dbraw/zinc/20/31/92/473203192.db2.gz	QIQMMFKNGJVJOQ-DOTOQJQBSA-N	-1	1	329.421	2.892	20	70		EFIDMM
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2F)c(C)o1	ZINC000160837839	521914853	/nfs/dbraw/zinc/91/48/53/521914853.db2.gz	OBOPAVDMZAQWOD-UHFFFAOYSA-N	-1	1	327.333	2.623	20	70		EFIDMM
CCOC(=O)C(=C([O-])CSc1ccncc1)c1nc(C)cs1	ZINC000160032853	527934492	/nfs/dbraw/zinc/93/44/92/527934492.db2.gz	KNWZMBHJRZLMOV-CYBMUJFWSA-N	-1	1	336.438	2.855	20	70		EFIDMM
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000159475178	529181308	/nfs/dbraw/zinc/18/13/08/529181308.db2.gz	IPYAYKUNJUFZNI-LBPRGKRZSA-N	-1	1	348.424	2.721	20	70		EFIDMM
O=C([N-]CC1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F	ZINC000216725980	241207270	/nfs/dbraw/zinc/20/72/70/241207270.db2.gz	IOIBMFCMZSBFFK-UHFFFAOYSA-N	-1	1	348.752	2.871	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(NC(C)C)nc3)n2)o1	ZINC000160211076	225362509	/nfs/dbraw/zinc/36/25/09/225362509.db2.gz	DMUMMERLJUOKJU-UHFFFAOYSA-N	-1	1	326.360	2.841	20	70		EFIDMM
CC(C)OC1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000159378794	544795589	/nfs/dbraw/zinc/79/55/89/544795589.db2.gz	JQCVARBLCXBZSS-UHFFFAOYSA-N	-1	1	333.400	2.979	20	70		EFIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCS[C@@H]2COCC[C@H]21	ZINC000160972049	280199647	/nfs/dbraw/zinc/19/96/47/280199647.db2.gz	ILKCLKLGRMMYHV-HZPDHXFCSA-N	-1	1	329.421	2.892	20	70		EFIDMM
CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160916572	310703645	/nfs/dbraw/zinc/70/36/45/310703645.db2.gz	WTPKAUJYCREGEH-GDBMZVCRSA-N	-1	1	344.459	2.609	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@H](CO)CC(C)(C)C)nc2)[n-]c(=O)c1C	ZINC000161463535	473237179	/nfs/dbraw/zinc/23/71/79/473237179.db2.gz	KWSOZEIMQSACAR-AWEZNQCLSA-N	-1	1	330.432	2.658	20	70		EFIDMM
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000161460541	473237327	/nfs/dbraw/zinc/23/73/27/473237327.db2.gz	MICBYVPITYZTDQ-UHFFFAOYSA-N	-1	1	336.705	2.586	20	70		EFIDMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)n1	ZINC000159839124	473064123	/nfs/dbraw/zinc/06/41/23/473064123.db2.gz	BOLXODDWMXEZPA-UHFFFAOYSA-N	-1	1	345.424	2.729	20	70		EFIDMM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCC(C)C	ZINC000159898446	473069894	/nfs/dbraw/zinc/06/98/94/473069894.db2.gz	FWLADLISBFVPRM-UHFFFAOYSA-N	-1	1	342.443	2.625	20	70		EFIDMM
CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1	ZINC000160038585	473082665	/nfs/dbraw/zinc/08/26/65/473082665.db2.gz	LUCYESINVSFDKO-UHFFFAOYSA-N	-1	1	333.409	2.881	20	70		EFIDMM
COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1OC	ZINC000160224752	473098274	/nfs/dbraw/zinc/09/82/74/473098274.db2.gz	LFJWBYOVZMNXTM-UHFFFAOYSA-N	-1	1	328.328	2.643	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)CCOCc3ccccc3)n2)o1	ZINC000160280970	473103667	/nfs/dbraw/zinc/10/36/67/473103667.db2.gz	CKYWOPVTEDRCQD-UHFFFAOYSA-N	-1	1	326.356	2.919	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(C)n1	ZINC000160668526	473159030	/nfs/dbraw/zinc/15/90/30/473159030.db2.gz	HHXINWWADVOJMH-UHFFFAOYSA-N	-1	1	336.413	2.825	20	70		EFIDMM
CCCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000160748025	473171043	/nfs/dbraw/zinc/17/10/43/473171043.db2.gz	FDRCXCZNWJFOKJ-UHFFFAOYSA-N	-1	1	330.432	2.681	20	70		EFIDMM
CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160916472	473190860	/nfs/dbraw/zinc/19/08/60/473190860.db2.gz	WTPKAUJYCREGEH-HOCLYGCPSA-N	-1	1	344.459	2.609	20	70		EFIDMM
CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1	ZINC000161038012	528034358	/nfs/dbraw/zinc/03/43/58/528034358.db2.gz	WQMLQERAIOXLFP-UHFFFAOYSA-N	-1	1	330.258	2.902	20	70		EFIDMM
Cc1cccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1	ZINC000216734248	241206440	/nfs/dbraw/zinc/20/64/40/241206440.db2.gz	TZPNVJNWBZOMLG-UHFFFAOYSA-N	-1	1	328.334	2.526	20	70		EFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1CC	ZINC000160094016	310694637	/nfs/dbraw/zinc/69/46/37/310694637.db2.gz	ZPOIZUAEDHWYLX-UHFFFAOYSA-N	-1	1	344.436	2.856	20	70		EFIDMM
COc1ccc(C(=O)Nc2nc(-c3nccn3C)cs2)c([O-])c1	ZINC000161316817	473225666	/nfs/dbraw/zinc/22/56/66/473225666.db2.gz	NAWNRUSPFPDTSF-UHFFFAOYSA-N	-1	1	330.369	2.510	20	70		EFIDMM
Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cnc2n1	ZINC000159736147	473057069	/nfs/dbraw/zinc/05/70/69/473057069.db2.gz	HKZDKPXIMBZVJQ-CYBMUJFWSA-N	-1	1	341.411	2.865	20	70		EFIDMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCOC3(CCCC3)C1)c2=O	ZINC000159736147	473057073	/nfs/dbraw/zinc/05/70/73/473057073.db2.gz	HKZDKPXIMBZVJQ-CYBMUJFWSA-N	-1	1	341.411	2.865	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)[nH]n1	ZINC000159950586	473074929	/nfs/dbraw/zinc/07/49/29/473074929.db2.gz	CBGDPPFOBDATKX-UHFFFAOYSA-N	-1	1	345.428	2.739	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cc4c(s3)CCOC4)n2)o1	ZINC000160279605	473103437	/nfs/dbraw/zinc/10/34/37/473103437.db2.gz	XZVPXMPJLNCBHH-UHFFFAOYSA-N	-1	1	330.369	2.760	20	70		EFIDMM
CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1	ZINC000160336553	473109825	/nfs/dbraw/zinc/10/98/25/473109825.db2.gz	WOWDRDDGVBVKJO-UHFFFAOYSA-N	-1	1	343.318	2.723	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)CSCc3ccncc3)n2)o1	ZINC000160339432	473110632	/nfs/dbraw/zinc/11/06/32/473110632.db2.gz	STLZXOZHVLOXHF-UHFFFAOYSA-N	-1	1	329.385	2.640	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C	ZINC000160471489	473130497	/nfs/dbraw/zinc/13/04/97/473130497.db2.gz	KXDZPRBCOPKGGT-UHFFFAOYSA-N	-1	1	335.307	2.726	20	70		EFIDMM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1	ZINC000160607233	473151077	/nfs/dbraw/zinc/15/10/77/473151077.db2.gz	AACGXXCUFCNPBW-CQSZACIVSA-N	-1	1	340.427	2.595	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C)n1	ZINC000160678103	473160481	/nfs/dbraw/zinc/16/04/81/473160481.db2.gz	KXASCTDEWULTDV-JTQLQIEISA-N	-1	1	334.397	2.523	20	70		EFIDMM
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160806469	473177203	/nfs/dbraw/zinc/17/72/03/473177203.db2.gz	NKHJCZWSCGMXKX-UHFFFAOYSA-N	-1	1	348.288	2.841	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CCC[C@H](C)C1	ZINC000160982279	473196760	/nfs/dbraw/zinc/19/67/60/473196760.db2.gz	WKFOTHSLUOCSNY-WFASDCNBSA-N	-1	1	344.459	2.927	20	70		EFIDMM
O=C(c1cc(Cl)ccc1[O-])N1CCC(N2CCCCC2=O)CC1	ZINC000159456572	534660562	/nfs/dbraw/zinc/66/05/62/534660562.db2.gz	RRESOTMKHHLPKQ-UHFFFAOYSA-N	-1	1	336.819	2.663	20	70		EFIDMM
O=C(c1cc2ccccc2cc1[O-])N1CCS[C@H]2COCC[C@@H]21	ZINC000161061401	296194993	/nfs/dbraw/zinc/19/49/93/296194993.db2.gz	QIQMMFKNGJVJOQ-RDJZCZTQSA-N	-1	1	329.421	2.892	20	70		EFIDMM
Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000159849267	206267647	/nfs/dbraw/zinc/26/76/47/206267647.db2.gz	GYNOSXVVMNMWRS-SSDOTTSWSA-N	-1	1	348.346	2.618	20	70		EFIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCS[C@H]2COCC[C@H]21	ZINC000160971934	206320644	/nfs/dbraw/zinc/32/06/44/206320644.db2.gz	ILKCLKLGRMMYHV-CVEARBPZSA-N	-1	1	329.421	2.892	20	70		EFIDMM
COc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)cc1[N-]S(C)(=O)=O	ZINC000159859233	473067948	/nfs/dbraw/zinc/06/79/48/473067948.db2.gz	OASSILQNZXBUGT-RYUDHWBXSA-N	-1	1	340.445	2.832	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C)n1	ZINC000160678237	473161026	/nfs/dbraw/zinc/16/10/26/473161026.db2.gz	KXASCTDEWULTDV-SNVBAGLBSA-N	-1	1	334.397	2.523	20	70		EFIDMM
COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)cc1[N-]S(C)(=O)=O	ZINC000159859518	473067663	/nfs/dbraw/zinc/06/76/63/473067663.db2.gz	OASSILQNZXBUGT-NWDGAFQWSA-N	-1	1	340.445	2.832	20	70		EFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2)cc1CC	ZINC000159983679	473078515	/nfs/dbraw/zinc/07/85/15/473078515.db2.gz	FHLISTGSVALONP-UHFFFAOYSA-N	-1	1	346.452	2.972	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@@H]3CCOC(C)(C)C3)nc2)[n-]c(=O)c1C	ZINC000160673326	473158492	/nfs/dbraw/zinc/15/84/92/473158492.db2.gz	BNQHPGCLFXHLSR-CQSZACIVSA-N	-1	1	328.416	2.818	20	70		EFIDMM
O=C(COc1ccc2c(c1)CCCC2)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160803486	473177097	/nfs/dbraw/zinc/17/70/97/473177097.db2.gz	GMCBFHJHFHUCNI-UHFFFAOYSA-N	-1	1	340.305	2.720	20	70		EFIDMM
CCOC(=O)C(=C([O-])CSc1ccncc1)c1nc(C)cs1	ZINC000160032945	529114549	/nfs/dbraw/zinc/11/45/49/529114549.db2.gz	KNWZMBHJRZLMOV-ZDUSSCGKSA-N	-1	1	336.438	2.855	20	70		EFIDMM
CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000160311596	529512646	/nfs/dbraw/zinc/51/26/46/529512646.db2.gz	FKMUTAYLGGOMCO-LLVKDONJSA-N	-1	1	345.770	2.798	20	70		EFIDMM
COCCC1(CNC(=O)c2ccc(Br)c([O-])c2)CC1	ZINC000159744415	239034902	/nfs/dbraw/zinc/03/49/02/239034902.db2.gz	MHFHSLRAFUMUJS-UHFFFAOYSA-N	-1	1	328.206	2.701	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@H]3CCO[C@@H](C4CC4)C3)nc2)[n-]c(=O)c1C	ZINC000160318528	225387115	/nfs/dbraw/zinc/38/71/15/225387115.db2.gz	HWQHQUGVNSFDTA-JKSUJKDBSA-N	-1	1	340.427	2.818	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CCCC[C@@H]1C	ZINC000161099198	310706093	/nfs/dbraw/zinc/70/60/93/310706093.db2.gz	WAHFLLKANWUKGM-SWLSCSKDSA-N	-1	1	344.459	2.927	20	70		EFIDMM
O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc2c(c1)CCO2	ZINC000161199561	310707351	/nfs/dbraw/zinc/70/73/51/310707351.db2.gz	HPXWVLBNBGJDRW-UHFFFAOYSA-N	-1	1	337.372	2.771	20	70		EFIDMM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1[O-]	ZINC000160865000	473184222	/nfs/dbraw/zinc/18/42/22/473184222.db2.gz	JFTLVRZLUKGDFV-UHFFFAOYSA-N	-1	1	334.397	2.768	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@H]3CCOC(C)(C)C3)nc2)[n-]c(=O)c1C	ZINC000160673473	225450148	/nfs/dbraw/zinc/45/01/48/225450148.db2.gz	BNQHPGCLFXHLSR-AWEZNQCLSA-N	-1	1	328.416	2.818	20	70		EFIDMM
CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1	ZINC000159420575	544795233	/nfs/dbraw/zinc/79/52/33/544795233.db2.gz	ZDKCAZYBFSNOLB-UHFFFAOYSA-N	-1	1	333.400	2.979	20	70		EFIDMM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)ccc1[O-]	ZINC000161507235	473240628	/nfs/dbraw/zinc/24/06/28/473240628.db2.gz	BAOCWISTFCIXQF-UHFFFAOYSA-N	-1	1	345.380	2.633	20	70		EFIDMM
Cc1ccc2c([O-])c(C(=O)N[C@H]3CCOC4(CCCC4)C3)cnc2n1	ZINC000159736237	473056419	/nfs/dbraw/zinc/05/64/19/473056419.db2.gz	HKZDKPXIMBZVJQ-ZDUSSCGKSA-N	-1	1	341.411	2.865	20	70		EFIDMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCOC3(CCCC3)C1)c2=O	ZINC000159736237	473056425	/nfs/dbraw/zinc/05/64/25/473056425.db2.gz	HKZDKPXIMBZVJQ-ZDUSSCGKSA-N	-1	1	341.411	2.865	20	70		EFIDMM
Cc1noc(C)c1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1	ZINC000159859200	473067679	/nfs/dbraw/zinc/06/76/79/473067679.db2.gz	GYIBCYSEYQNZMJ-UHFFFAOYSA-N	-1	1	338.433	2.938	20	70		EFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)[nH]n1	ZINC000159881440	473068787	/nfs/dbraw/zinc/06/87/87/473068787.db2.gz	QFTTZQNVMZJTNQ-LBPRGKRZSA-N	-1	1	339.465	2.967	20	70		EFIDMM
CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)ccc1C	ZINC000160357423	473112037	/nfs/dbraw/zinc/11/20/37/473112037.db2.gz	IEGGPYSLBVRFNF-UHFFFAOYSA-N	-1	1	339.355	2.892	20	70		EFIDMM
COc1cccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1	ZINC000160395758	473117242	/nfs/dbraw/zinc/11/72/42/473117242.db2.gz	PTGIGQWRFFXBMC-UHFFFAOYSA-N	-1	1	326.356	2.953	20	70		EFIDMM
CCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1OCC	ZINC000160498274	473133588	/nfs/dbraw/zinc/13/35/88/473133588.db2.gz	CXOWNTHHHWDVTR-UHFFFAOYSA-N	-1	1	339.417	2.625	20	70		EFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)n[nH]1	ZINC000160648672	473156230	/nfs/dbraw/zinc/15/62/30/473156230.db2.gz	BYYBQUWLRKXCOZ-UHFFFAOYSA-N	-1	1	331.344	2.935	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)[nH]n1	ZINC000159945389	529017749	/nfs/dbraw/zinc/01/77/49/529017749.db2.gz	USBQKGABNKHFCT-UHFFFAOYSA-N	-1	1	339.417	2.570	20	70		EFIDMM
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000159475051	529374945	/nfs/dbraw/zinc/37/49/45/529374945.db2.gz	IPYAYKUNJUFZNI-GFCCVEGCSA-N	-1	1	348.424	2.721	20	70		EFIDMM
COc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C	ZINC000159721864	206260865	/nfs/dbraw/zinc/26/08/65/206260865.db2.gz	NZGXKFPBDBJQKS-UHFFFAOYSA-N	-1	1	340.470	2.928	20	70		EFIDMM
COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1	ZINC000160653293	206307096	/nfs/dbraw/zinc/30/70/96/206307096.db2.gz	DFPYIHHVSWAHTQ-UHFFFAOYSA-N	-1	1	329.809	2.996	20	70		EFIDMM
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1C	ZINC000160654853	206307514	/nfs/dbraw/zinc/30/75/14/206307514.db2.gz	MFIRJFYWTJCNCT-UHFFFAOYSA-N	-1	1	336.417	2.601	20	70		EFIDMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2)cc1CC	ZINC000159985458	310693622	/nfs/dbraw/zinc/69/36/22/310693622.db2.gz	COZLDDNKOHHUKD-UHFFFAOYSA-N	-1	1	346.452	2.972	20	70		EFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)co1	ZINC000160600517	473149684	/nfs/dbraw/zinc/14/96/84/473149684.db2.gz	ONNLFXXCZOKCSC-UHFFFAOYSA-N	-1	1	330.365	2.593	20	70		EFIDMM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1	ZINC000160607070	473151314	/nfs/dbraw/zinc/15/13/14/473151314.db2.gz	AACGXXCUFCNPBW-AWEZNQCLSA-N	-1	1	340.427	2.595	20	70		EFIDMM
CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1c(C)noc1C	ZINC000159990954	528295450	/nfs/dbraw/zinc/29/54/50/528295450.db2.gz	BIFPNFHBCJCMHB-UHFFFAOYSA-N	-1	1	344.820	2.822	20	70		EFIDMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1cccc(F)c1F	ZINC000161459976	473237064	/nfs/dbraw/zinc/23/70/64/473237064.db2.gz	NWPQOLXPHLNTLA-BQBZGAKWSA-N	-1	1	332.232	2.844	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cn(-c4ccc(C)cc4)nn3)n2)o1	ZINC000160395199	473117187	/nfs/dbraw/zinc/11/71/87/473117187.db2.gz	CDMUGOUMNTUWRP-UHFFFAOYSA-N	-1	1	349.354	2.515	20	70		EFIDMM
COc1ccc(C(C)(C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000160805739	473177291	/nfs/dbraw/zinc/17/72/91/473177291.db2.gz	FSVYZCHOKQHGAM-UHFFFAOYSA-N	-1	1	328.294	2.748	20	70		EFIDMM
Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2F)c1	ZINC000160901569	473189238	/nfs/dbraw/zinc/18/92/38/473189238.db2.gz	RFDIIDOWOCOKQU-UHFFFAOYSA-N	-1	1	332.360	2.516	20	70		EFIDMM
Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C	ZINC000216736637	241208512	/nfs/dbraw/zinc/20/85/12/241208512.db2.gz	RPWKAXOTFMPRRU-UHFFFAOYSA-N	-1	1	342.361	2.834	20	70		EFIDMM
O=C(c1ccc(Br)c([O-])c1)N(C[C@@H]1CCOC1)C1CC1	ZINC000159815583	473063678	/nfs/dbraw/zinc/06/36/78/473063678.db2.gz	KKSHDBBPRSJJQA-JTQLQIEISA-N	-1	1	340.217	2.796	20	70		EFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[nH]n1	ZINC000159828804	473064179	/nfs/dbraw/zinc/06/41/79/473064179.db2.gz	CEBYBZYXSCJOPD-UHFFFAOYSA-N	-1	1	348.428	2.564	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccco1	ZINC000159912834	473071198	/nfs/dbraw/zinc/07/11/98/473071198.db2.gz	UKUZBDVQURTJRH-ZDUSSCGKSA-N	-1	1	342.399	2.797	20	70		EFIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cc(=O)[nH]c4ccccc43)n2)o1	ZINC000160225296	473097988	/nfs/dbraw/zinc/09/79/88/473097988.db2.gz	AXVBVOVGINUUPV-UHFFFAOYSA-N	-1	1	335.323	2.879	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cccc(Br)c2C)c1C	ZINC000160495363	473133622	/nfs/dbraw/zinc/13/36/22/473133622.db2.gz	AOBCJLCYNBAQTI-UHFFFAOYSA-N	-1	1	344.234	2.898	20	70		EFIDMM
CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160916705	473190482	/nfs/dbraw/zinc/19/04/82/473190482.db2.gz	WTPKAUJYCREGEH-GOEBONIOSA-N	-1	1	344.459	2.609	20	70		EFIDMM
Cc1occc1CN(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160979248	473195547	/nfs/dbraw/zinc/19/55/47/473195547.db2.gz	RDMDBJZDUJNYHY-UHFFFAOYSA-N	-1	1	342.399	2.544	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)[nH]n1	ZINC000159959494	529016727	/nfs/dbraw/zinc/01/67/27/529016727.db2.gz	MOIFGWSEMLTIAT-UHFFFAOYSA-N	-1	1	327.381	2.701	20	70		EFIDMM
Cc1nc(-c2ccc(N[C@@H]3CCO[C@@H](C4CC4)C3)nc2)[n-]c(=O)c1C	ZINC000160318417	225387225	/nfs/dbraw/zinc/38/72/25/225387225.db2.gz	HWQHQUGVNSFDTA-HZPDHXFCSA-N	-1	1	340.427	2.818	20	70		EFIDMM
COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(C)n1	ZINC000160671612	310701700	/nfs/dbraw/zinc/70/17/00/310701700.db2.gz	FNDQDYDOLURYAX-UHFFFAOYSA-N	-1	1	336.413	2.825	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1C	ZINC000161099438	473206241	/nfs/dbraw/zinc/20/62/41/473206241.db2.gz	WAHFLLKANWUKGM-IUODEOHRSA-N	-1	1	344.459	2.927	20	70		EFIDMM
CC1CCN(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)CC1	ZINC000161410862	473233759	/nfs/dbraw/zinc/23/37/59/473233759.db2.gz	KOEDIAQBAWKCOV-UHFFFAOYSA-N	-1	1	344.455	2.545	20	70		EFIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@H](C)c1ccco1	ZINC000159912978	473071656	/nfs/dbraw/zinc/07/16/56/473071656.db2.gz	UKUZBDVQURTJRH-CYBMUJFWSA-N	-1	1	342.399	2.797	20	70		EFIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)[nH]n1	ZINC000159954789	473075429	/nfs/dbraw/zinc/07/54/29/473075429.db2.gz	JOKMRFYFTWAPGV-LLVKDONJSA-N	-1	1	335.429	2.877	20	70		EFIDMM
COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1	ZINC000160271744	473103507	/nfs/dbraw/zinc/10/35/07/473103507.db2.gz	SNRQRXZHIAKLIK-UHFFFAOYSA-N	-1	1	326.356	2.953	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C	ZINC000160482820	473130791	/nfs/dbraw/zinc/13/07/91/473130791.db2.gz	YJWIMJVEUMFJIM-UHFFFAOYSA-N	-1	1	337.298	2.985	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1C	ZINC000160494940	473133011	/nfs/dbraw/zinc/13/30/11/473133011.db2.gz	BWUJSOBIJGHZFF-UHFFFAOYSA-N	-1	1	348.197	2.729	20	70		EFIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C	ZINC000160497536	473133808	/nfs/dbraw/zinc/13/38/08/473133808.db2.gz	HGLNDNRGYOBYSE-UHFFFAOYSA-N	-1	1	335.307	2.726	20	70		EFIDMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCSCC(C)C	ZINC000160744209	473169973	/nfs/dbraw/zinc/16/99/73/473169973.db2.gz	BUJFTFHEHMOXNG-UHFFFAOYSA-N	-1	1	339.505	2.885	20	70		EFIDMM
C[C@H](O[N-]C(=O)CCCc1ccccc1)C(=O)N1CCC(C)CC1	ZINC000160791025	473175393	/nfs/dbraw/zinc/17/53/93/473175393.db2.gz	RLZOUTPCXXSPSG-INIZCTEOSA-N	-1	1	332.444	2.704	20	70		EFIDMM
CC(C)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)o1	ZINC000160927583	473191736	/nfs/dbraw/zinc/19/17/36/473191736.db2.gz	NAZHDOFRJLUSOV-UHFFFAOYSA-N	-1	1	340.426	2.680	20	70		EFIDMM
O=C(c1cc2ccccc2cc1[O-])N1CCS[C@H]2COCC[C@H]21	ZINC000161061662	473203783	/nfs/dbraw/zinc/20/37/83/473203783.db2.gz	QIQMMFKNGJVJOQ-WBVHZDCISA-N	-1	1	329.421	2.892	20	70		EFIDMM