smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C(C)C)CC1	ZINC000081957362	192345269	/nfs/dbraw/zinc/34/52/69/192345269.db2.gz	IYVVNGKMBPOPRG-UHFFFAOYSA-N	-1	1	309.435	2.721	40	0		DFABMM
C=CCOc1cccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c1	ZINC000008272330	398371148	/nfs/dbraw/zinc/37/11/48/398371148.db2.gz	WVINFFIQLBASCG-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
C=CCOc1cccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c1	ZINC000008272330	398371150	/nfs/dbraw/zinc/37/11/50/398371150.db2.gz	WVINFFIQLBASCG-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
Cc1ccsc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O	ZINC000080607528	192171009	/nfs/dbraw/zinc/17/10/09/192171009.db2.gz	GVBKPEJVBMRLPX-UHFFFAOYSA-N	-1	1	319.430	2.676	40	0		DFABMM
CC(=O)N1CCC[C@H]1c1nccnc1[N-]c1nc(C)cs1	ZINC000072384633	191144548	/nfs/dbraw/zinc/14/45/48/191144548.db2.gz	ZJDPPTWHVVLCGS-NSHDSACASA-N	-1	1	303.391	2.669	40	0		DFABMM
CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCC3)[n-]c1=O	ZINC000193264929	201015779	/nfs/dbraw/zinc/01/57/79/201015779.db2.gz	UVBWPFWKJZNBDQ-FMIVXFBMSA-N	-1	1	324.380	2.996	40	0		DFABMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2C)n1	ZINC000018154634	182095249	/nfs/dbraw/zinc/09/52/49/182095249.db2.gz	HOBVDUXFQRHGBG-NSHDSACASA-N	-1	1	303.387	2.506	40	0		DFABMM
CN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937272	182167119	/nfs/dbraw/zinc/16/71/19/182167119.db2.gz	DJAIXIBIBSACCI-UHFFFAOYSA-N	-1	1	319.364	2.709	40	0		DFABMM
CN(C)c1ccc(-n2cccc2C=C2SC(=O)[N-]C2=O)cc1	ZINC000408950491	257225155	/nfs/dbraw/zinc/22/51/55/257225155.db2.gz	FNNGQJPPGQAIAG-GXDHUFHOSA-N	-1	1	313.382	2.867	40	0		DFABMM
C[C@@H](NC(=O)c1cc2ccc([O-])cc2oc1=O)c1ccccc1	ZINC000408802842	257226582	/nfs/dbraw/zinc/22/65/82/257226582.db2.gz	ICLXBLZBFIKDAO-LLVKDONJSA-N	-1	1	309.321	2.990	40	0		DFABMM
C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000408815965	257226861	/nfs/dbraw/zinc/22/68/61/257226861.db2.gz	RYZPKCMZAWHMMN-QMTHXVAHSA-N	-1	1	301.342	2.807	40	0		DFABMM
O=C([N-]C1=NC(=O)[C@@](F)(C(F)(F)F)S1)Nc1ccccc1	ZINC000002484100	425594905	/nfs/dbraw/zinc/59/49/05/425594905.db2.gz	QHPWCCWCELKANZ-JTQLQIEISA-N	-1	1	321.255	2.666	40	0		DFABMM
CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(OC)cc1	ZINC000008518287	425670942	/nfs/dbraw/zinc/67/09/42/425670942.db2.gz	AQHVKEZEZBRVOY-CQSZACIVSA-N	-1	1	324.402	2.730	40	0		DFABMM
CSc1n[nH]c(NC(=O)c2ccccc2Br)n1	ZINC000008655148	425671910	/nfs/dbraw/zinc/67/19/10/425671910.db2.gz	UCDUHAURQVKFJE-UHFFFAOYSA-N	-1	1	313.180	2.541	40	0		DFABMM
CCc1ccc2nc(Nc3nc(C)c(C)c(=O)[n-]3)nc(C)c2c1	ZINC000010325316	425701657	/nfs/dbraw/zinc/70/16/57/425701657.db2.gz	VLVJUAZZUNKVRG-UHFFFAOYSA-N	-1	1	309.373	2.944	40	0		DFABMM
CCS[C@H](C)CC1CC(=O)C(=C([O-])c2cc(C)no2)C(=O)C1	ZINC000104424056	425963931	/nfs/dbraw/zinc/96/39/31/425963931.db2.gz	GQLQSFUEKPGRPP-RWWNRMGGSA-N	-1	1	323.414	2.862	40	0		DFABMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2	ZINC000078403963	426168337	/nfs/dbraw/zinc/16/83/37/426168337.db2.gz	DZRDEFZYXWTTSP-LLVKDONJSA-N	-1	1	318.398	2.853	40	0		DFABMM
CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)[nH]n1	ZINC000079096071	185157442	/nfs/dbraw/zinc/15/74/42/185157442.db2.gz	IHRHJYMMDBGDBI-UHFFFAOYSA-N	-1	1	305.403	2.652	40	0		DFABMM
CCN(CC)c1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])o1	ZINC000006433790	398354138	/nfs/dbraw/zinc/35/41/38/398354138.db2.gz	IOSPATDJVWPDNU-FLIBITNWSA-N	-1	1	322.390	2.770	40	0		DFABMM
CCN(CC)c1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])o1	ZINC000006433790	398354140	/nfs/dbraw/zinc/35/41/40/398354140.db2.gz	IOSPATDJVWPDNU-FLIBITNWSA-N	-1	1	322.390	2.770	40	0		DFABMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)CC(=O)N2	ZINC000004944165	181176761	/nfs/dbraw/zinc/17/67/61/181176761.db2.gz	SGKJJVGHYCOQNG-NSHDSACASA-N	-1	1	315.398	2.746	40	0		DFABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)CC(=O)N2	ZINC000004944177	181176831	/nfs/dbraw/zinc/17/68/31/181176831.db2.gz	KMBCUDCACRUKKK-NSHDSACASA-N	-1	1	315.398	2.664	40	0		DFABMM
Cc1sc(C(N)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000006679919	181370390	/nfs/dbraw/zinc/37/03/90/181370390.db2.gz	IGGKNOJVEPSLJY-UHFFFAOYSA-N	-1	1	324.427	2.573	40	0		DFABMM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@@H](c2cccs2)N1	ZINC000252516874	257106382	/nfs/dbraw/zinc/10/63/82/257106382.db2.gz	XMMRDVWAEOSRGS-DZGBDDFRSA-N	-1	1	300.383	2.814	40	0		DFABMM
Cc1nn(C2CCCCC2)cc1C([O-])=C1C(=O)CCCC1=O	ZINC000103619388	257121701	/nfs/dbraw/zinc/12/17/01/257121701.db2.gz	IFJBKUZIGGFZNF-UHFFFAOYSA-N	-1	1	302.374	2.818	40	0		DFABMM
COc1cc(C)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000053944082	425888779	/nfs/dbraw/zinc/88/87/79/425888779.db2.gz	BEWQWVDJCZQTTG-UHFFFAOYSA-N	-1	1	321.354	2.503	40	0		DFABMM
CCOC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000001022399	425574194	/nfs/dbraw/zinc/57/41/94/425574194.db2.gz	AXISFPMXIQSBTO-YRNVUSSQSA-N	-1	1	323.395	2.958	40	0		DFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000028195949	425820698	/nfs/dbraw/zinc/82/06/98/425820698.db2.gz	VMNFELBKBGQZOP-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2	ZINC000078403674	426168239	/nfs/dbraw/zinc/16/82/39/426168239.db2.gz	INIYZLXCSILKHU-UHFFFAOYSA-N	-1	1	318.398	2.772	40	0		DFABMM
Cc1cnc([N-]c2nccc([C@@H]3CCCCN3CCO)n2)s1	ZINC000257226420	427316333	/nfs/dbraw/zinc/31/63/33/427316333.db2.gz	FKOHVHFDCCDJRU-ZDUSSCGKSA-N	-1	1	319.434	2.504	40	0		DFABMM
CSc1nc2c(nc(SC)[n-]c2=O)n1-c1ccccc1	ZINC000017288069	182080743	/nfs/dbraw/zinc/08/07/43/182080743.db2.gz	QQEMYNWWVSISLR-UHFFFAOYSA-N	-1	1	304.400	2.553	40	0		DFABMM
Cc1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1	ZINC000019937204	182167034	/nfs/dbraw/zinc/16/70/34/182167034.db2.gz	LIISQESXEOXHOP-UHFFFAOYSA-N	-1	1	305.337	2.998	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000024256351	182377808	/nfs/dbraw/zinc/37/78/08/182377808.db2.gz	VRONJPASVIBTHW-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1	ZINC000024257866	182378132	/nfs/dbraw/zinc/37/81/32/182378132.db2.gz	ZWCKJWGRZVWDJX-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@H](c2cccs2)N1	ZINC000252516875	257106042	/nfs/dbraw/zinc/10/60/42/257106042.db2.gz	XMMRDVWAEOSRGS-WCUVEOEZSA-N	-1	1	300.383	2.814	40	0		DFABMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(C)c2)n1	ZINC000009057530	425680638	/nfs/dbraw/zinc/68/06/38/425680638.db2.gz	RPEAXMCWVOHBEA-UHFFFAOYSA-N	-1	1	323.805	2.771	40	0		DFABMM
C=COCCc1c(C)nc(Nc2ccc(OCC)cc2)[n-]c1=O	ZINC000009939363	425697111	/nfs/dbraw/zinc/69/71/11/425697111.db2.gz	WHAGPLJNQJNKOG-UHFFFAOYSA-N	-1	1	315.373	2.923	40	0		DFABMM
O=C([O-])c1c[nH]c2cc(OCCc3ccccc3)ccc2c1=O	ZINC000027720444	425818355	/nfs/dbraw/zinc/81/83/55/425818355.db2.gz	IEWNHJMPTUOWNH-UHFFFAOYSA-N	-1	1	309.321	2.848	40	0		DFABMM
O=C(O)c1c[n-]c2cc(OCCc3ccccc3)ccc2c1=O	ZINC000027720444	425818359	/nfs/dbraw/zinc/81/83/59/425818359.db2.gz	IEWNHJMPTUOWNH-UHFFFAOYSA-N	-1	1	309.321	2.848	40	0		DFABMM
COc1ccc(-n2cccc2C=C2SC(=O)[N-]C2=O)cc1	ZINC000106336596	425972771	/nfs/dbraw/zinc/97/27/71/425972771.db2.gz	OVSHXEQRJFWYSF-UKTHLTGXSA-N	-1	1	300.339	2.810	40	0		DFABMM
Cc1c[nH]nc1-c1ccc([O-])c(I)c1	ZINC000085393645	426251724	/nfs/dbraw/zinc/25/17/24/426251724.db2.gz	XAGWPGMKBYQUEC-UHFFFAOYSA-N	-1	1	300.099	2.695	40	0		DFABMM
C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br	ZINC000039289536	277036722	/nfs/dbraw/zinc/03/67/22/277036722.db2.gz	BZEXSQMAIHUROO-UHFFFAOYSA-N	-1	1	319.007	2.664	40	0		DFABMM
COc1ccc(-c2nnc(NC(=O)c3ccccc3[O-])o2)cc1	ZINC000009062289	398374720	/nfs/dbraw/zinc/37/47/20/398374720.db2.gz	NIDZAYLITAGFME-UHFFFAOYSA-N	-1	1	311.297	2.703	40	0		DFABMM
CC1(C)CC[C@H]2CN(C(=O)c3cncc([O-])c3)CC[C@@]2(C)O1	ZINC000585285721	398439580	/nfs/dbraw/zinc/43/95/80/398439580.db2.gz	MCMYLGIJSNXXPT-SUMWQHHRSA-N	-1	1	304.390	2.597	40	0		DFABMM
O=C1NC(=O)C(c2c[nH]c3ccc(Br)cc23)=C1[O-]	ZINC000071257760	190949632	/nfs/dbraw/zinc/94/96/32/190949632.db2.gz	ICINMSLAXYHTNT-UHFFFAOYSA-N	-1	1	307.103	2.696	40	0		DFABMM
CCc1nnc([N-]c2cc([C@H]3CCCN3C)nc(C)n2)s1	ZINC000072360124	191130080	/nfs/dbraw/zinc/13/00/80/191130080.db2.gz	REBVQFYQFKBTJV-LLVKDONJSA-N	-1	1	304.423	2.709	40	0		DFABMM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2S(=O)(=O)[N-]c1ccccc1	ZINC000004706534	181140363	/nfs/dbraw/zinc/14/03/63/181140363.db2.gz	SUNRZRFCJHTXTD-IOASZLSFSA-N	-1	1	307.415	2.822	40	0		DFABMM
CCc1ccc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1	ZINC000004944181	181176958	/nfs/dbraw/zinc/17/69/58/181176958.db2.gz	MWMGTWRIMNUIEI-LLVKDONJSA-N	-1	1	315.398	2.528	40	0		DFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1	ZINC000074928423	191388088	/nfs/dbraw/zinc/38/80/88/191388088.db2.gz	LALQXMOYUZVHEA-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
CCOc1ccccc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000005906984	181294984	/nfs/dbraw/zinc/29/49/84/181294984.db2.gz	YNVGRCNGAAVKOH-WQLSENKSSA-N	-1	1	305.359	2.730	40	0		DFABMM
CCOc1ccccc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000005906984	181294986	/nfs/dbraw/zinc/29/49/86/181294986.db2.gz	YNVGRCNGAAVKOH-WQLSENKSSA-N	-1	1	305.359	2.730	40	0		DFABMM
COC(=O)c1c[n-]c(SCc2nc3c(cccc3F)[nH]2)n1	ZINC000193543062	201072957	/nfs/dbraw/zinc/07/29/57/201072957.db2.gz	KRULOCSWZGQJJX-UHFFFAOYSA-N	-1	1	306.322	2.504	40	0		DFABMM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cc(C)ccc1C	ZINC000016087822	182032607	/nfs/dbraw/zinc/03/26/07/182032607.db2.gz	GPOBDECFEFUDMD-NSHDSACASA-N	-1	1	308.403	2.948	40	0		DFABMM
COCCN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O	ZINC000409124769	257222121	/nfs/dbraw/zinc/22/21/21/257222121.db2.gz	BRMKGGHZJXGBAA-YRNVUSSQSA-N	-1	1	313.762	2.728	40	0		DFABMM
CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000055628319	425894370	/nfs/dbraw/zinc/89/43/70/425894370.db2.gz	YVUCJVFLLLOXRW-UHFFFAOYSA-N	-1	1	318.398	2.546	40	0		DFABMM
CCOc1ccc(CNn2c(CC)n[n-]c2=S)cc1OC	ZINC000008339115	425668163	/nfs/dbraw/zinc/66/81/63/425668163.db2.gz	NFZPVSAHTVBJER-UHFFFAOYSA-N	-1	1	308.407	2.654	40	0		DFABMM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C	ZINC000007230452	425639240	/nfs/dbraw/zinc/63/92/40/425639240.db2.gz	HJVHQGAKPVHMMB-UHFFFAOYSA-N	-1	1	323.345	2.942	40	0		DFABMM
COc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1F	ZINC000007361116	425642461	/nfs/dbraw/zinc/64/24/61/425642461.db2.gz	WFIORYUJLFCIIL-UHFFFAOYSA-N	-1	1	323.345	2.838	40	0		DFABMM
COc1ccc(C[C@@H]2COc3cc([O-])cc(O)c3C2=O)cc1	ZINC000013327495	425754173	/nfs/dbraw/zinc/75/41/73/425754173.db2.gz	IERGURVELWCYAW-LLVKDONJSA-N	-1	1	300.310	2.540	40	0	biogenic,in-vitro	DFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000028195838	425820793	/nfs/dbraw/zinc/82/07/93/425820793.db2.gz	AXDWDMXFHABMOE-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2	ZINC000078403967	426168629	/nfs/dbraw/zinc/16/86/29/426168629.db2.gz	DZRDEFZYXWTTSP-NSHDSACASA-N	-1	1	318.398	2.853	40	0		DFABMM
CCCCc1[nH+]cc(C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000033980829	398547407	/nfs/dbraw/zinc/54/74/07/398547407.db2.gz	VMQWKSFYHZLXIB-UHFFFAOYSA-N	-1	1	302.330	2.670	40	0		DFABMM
O=C([N-]c1n[nH]c(-c2ccoc2)n1)c1occc1Br	ZINC000081727950	192318213	/nfs/dbraw/zinc/31/82/13/192318213.db2.gz	GVBDDUQOOXCCNY-UHFFFAOYSA-N	-1	1	323.106	2.673	40	0		DFABMM
O=c1sc2c(nc(-c3ccccc3)[n-]c2=O)n1-c1ccccc1	ZINC000005888594	181293269	/nfs/dbraw/zinc/29/32/69/181293269.db2.gz	VBTJVNPRKYLOBH-UHFFFAOYSA-N	-1	1	321.361	2.803	40	0		DFABMM
Cc1n[nH]cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl	ZINC000194634406	201266209	/nfs/dbraw/zinc/26/62/09/201266209.db2.gz	OEPFJMLIYJHHKP-UHFFFAOYSA-N	-1	1	320.201	2.967	40	0		DFABMM
COc1ccccc1-c1n[n-]c(=S)n1NCc1ccco1	ZINC000008496667	181560134	/nfs/dbraw/zinc/56/01/34/181560134.db2.gz	KPEGEXHNCIYWBI-UHFFFAOYSA-N	-1	1	302.359	2.953	40	0		DFABMM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000020044995	182183084	/nfs/dbraw/zinc/18/30/84/182183084.db2.gz	NLJNLQSCQWZUOU-UHFFFAOYSA-N	-1	1	324.789	2.500	40	0		DFABMM
CC(C)n1c(CNC(=O)c2cccc3[nH]ccc32)n[n-]c1=S	ZINC000081712230	542498169	/nfs/dbraw/zinc/49/81/69/542498169.db2.gz	ZJCUWKQCWOPXOY-UHFFFAOYSA-N	-1	1	315.402	2.933	40	0		DFABMM
Cc1nn(C(C)(C)C)c(Cl)c1C([O-])=C1C(=O)CCCC1=O	ZINC000103619333	257121721	/nfs/dbraw/zinc/12/17/21/257121721.db2.gz	FCDZWYRTPWASOV-UHFFFAOYSA-N	-1	1	310.781	2.721	40	0		DFABMM
CCc1ccc(CC)c(C[N-]S(=O)(=O)c2c(C)noc2C)c1	ZINC000222882008	542884707	/nfs/dbraw/zinc/88/47/07/542884707.db2.gz	KGADLIFRICWMBA-UHFFFAOYSA-N	-1	1	322.430	2.895	40	0		DFABMM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000052745980	425885469	/nfs/dbraw/zinc/88/54/69/425885469.db2.gz	JKQTUEUQIXRRIJ-UHFFFAOYSA-N	-1	1	319.382	2.973	40	0		DFABMM
CC1=NN(C(=O)c2ccccc2[O-])[C@@](O)(c2ccc(F)cc2)C1	ZINC000000982332	425573118	/nfs/dbraw/zinc/57/31/18/425573118.db2.gz	LDGPIQZVJYVQPS-KRWDZBQOSA-N	-1	1	314.316	2.598	40	0		DFABMM
CC(C)c1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1	ZINC000009143482	425681631	/nfs/dbraw/zinc/68/16/31/425681631.db2.gz	HSNZPVUFEIQPJL-UHFFFAOYSA-N	-1	1	303.387	2.624	40	0		DFABMM
COc1ccc(-c2n[n-]c(=S)n2C[C@@H]2CCCO2)cc1OC	ZINC000013535280	425754904	/nfs/dbraw/zinc/75/49/04/425754904.db2.gz	OOFPFQBCGDQISZ-NSHDSACASA-N	-1	1	321.402	2.804	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1C	ZINC000075081331	426062120	/nfs/dbraw/zinc/06/21/20/426062120.db2.gz	JZAMKIHQMJNCAW-UHFFFAOYSA-N	-1	1	305.355	2.582	40	0		DFABMM
Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1	ZINC000223315179	426588237	/nfs/dbraw/zinc/58/82/37/426588237.db2.gz	UQYUVJGIQGFYRH-UHFFFAOYSA-N	-1	1	318.354	2.539	40	0		DFABMM
O=C([O-])[C@H]1C[C@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1	ZINC000225606339	398350043	/nfs/dbraw/zinc/35/00/43/398350043.db2.gz	XMMRDVWAEOSRGS-MMMKDXCPSA-N	-1	1	300.383	2.814	40	0		DFABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)CC(=O)N2	ZINC000004944176	181177102	/nfs/dbraw/zinc/17/71/02/181177102.db2.gz	KMBCUDCACRUKKK-LLVKDONJSA-N	-1	1	315.398	2.664	40	0		DFABMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C	ZINC000079108551	399017488	/nfs/dbraw/zinc/01/74/88/399017488.db2.gz	FVZZBLLLCLXMEH-UHFFFAOYSA-N	-1	1	303.746	2.620	40	0		DFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1	ZINC000041091194	183164082	/nfs/dbraw/zinc/16/40/82/183164082.db2.gz	YHXODRCFBZBZTQ-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
O=C([N-]C1=NC(=O)[C@](F)(C(F)(F)F)S1)Nc1ccccc1	ZINC000002484101	425594167	/nfs/dbraw/zinc/59/41/67/425594167.db2.gz	QHPWCCWCELKANZ-SNVBAGLBSA-N	-1	1	321.255	2.666	40	0		DFABMM
CCOC(=O)c1nc(COc2ccc(C(C)(C)C)cc2)n[n-]1	ZINC000085385961	426250297	/nfs/dbraw/zinc/25/02/97/426250297.db2.gz	OLIKYYPMZIEACZ-UHFFFAOYSA-N	-1	1	303.362	2.858	40	0		DFABMM
CCOC(=O)c1n[n-]c(COc2ccc(C(C)(C)C)cc2)n1	ZINC000085385961	426250302	/nfs/dbraw/zinc/25/03/02/426250302.db2.gz	OLIKYYPMZIEACZ-UHFFFAOYSA-N	-1	1	303.362	2.858	40	0		DFABMM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000006270181	295099053	/nfs/dbraw/zinc/09/90/53/295099053.db2.gz	MNYIMRMULIOECO-UHFFFAOYSA-N	-1	1	321.354	2.503	40	0		DFABMM
C=CCOc1ccccc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000006588337	398355609	/nfs/dbraw/zinc/35/56/09/398355609.db2.gz	RFJBACZHWLPGFL-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
C=CCOc1ccccc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000006588337	398355610	/nfs/dbraw/zinc/35/56/10/398355610.db2.gz	RFJBACZHWLPGFL-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-]	ZINC000008270942	398371300	/nfs/dbraw/zinc/37/13/00/398371300.db2.gz	MESOUGARVUTPAH-IUCAKERBSA-N	-1	1	315.822	2.839	40	0		DFABMM
Cc1nnc(SC(=Cc2cc(Cl)ccc2O)C(=O)[O-])[nH]1	ZINC000008272205	398371489	/nfs/dbraw/zinc/37/14/89/398371489.db2.gz	IJQPICAWADHZHG-YHYXMXQVSA-N	-1	1	311.750	2.690	40	0		DFABMM
Cc1nc(SC(=Cc2cc(Cl)ccc2O)C(=O)[O-])n[nH]1	ZINC000008272205	398371491	/nfs/dbraw/zinc/37/14/91/398371491.db2.gz	IJQPICAWADHZHG-YHYXMXQVSA-N	-1	1	311.750	2.690	40	0		DFABMM
Cc1cccc(C(=O)N[C@H](c2n[n-]c(=S)n2C)C(C)C)c1	ZINC000005519714	181252963	/nfs/dbraw/zinc/25/29/63/181252963.db2.gz	XFOSKHHPQFBVCH-LBPRGKRZSA-N	-1	1	304.419	2.913	40	0		DFABMM
O=C([O-])c1cnc2cc3c(cc2c1Nc1ccccc1)OCO3	ZINC000031771933	295989242	/nfs/dbraw/zinc/98/92/42/295989242.db2.gz	YHBNWHVMOHHZFN-UHFFFAOYSA-N	-1	1	308.293	2.827	40	0		DFABMM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(C)ccc1C	ZINC000016087821	182032590	/nfs/dbraw/zinc/03/25/90/182032590.db2.gz	GPOBDECFEFUDMD-LLVKDONJSA-N	-1	1	308.403	2.948	40	0		DFABMM
O=c1[nH][n-]c2c1[C@@H](c1ccccc1)C[C@@](O)(c1ccccc1)C2	ZINC000101392642	296386348	/nfs/dbraw/zinc/38/63/48/296386348.db2.gz	VJDMUHOTLRKWKR-AYBZRNKSSA-N	-1	1	306.365	2.554	40	0		DFABMM
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)cc1	ZINC000000798423	425571202	/nfs/dbraw/zinc/57/12/02/425571202.db2.gz	ZRUVQYIKNYORSX-LLVKDONJSA-N	-1	1	303.387	2.506	40	0		DFABMM
Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)ccc1F	ZINC000084090247	426232334	/nfs/dbraw/zinc/23/23/34/426232334.db2.gz	KPWIPZKTWIIGLZ-UHFFFAOYSA-N	-1	1	311.382	2.857	40	0		DFABMM
CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2	ZINC000096531489	426439641	/nfs/dbraw/zinc/43/96/41/426439641.db2.gz	IDLIAPYQXYNORV-UHFFFAOYSA-N	-1	1	305.378	2.602	40	0		DFABMM
COc1ccc([C@@H](O)CC([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000001639234	180882449	/nfs/dbraw/zinc/88/24/49/180882449.db2.gz	AZJHEHMCDGFJGU-VIFPVBQESA-N	-1	1	318.213	2.974	40	0		DFABMM
Cc1cccc(C)c1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1	ZINC000005045344	181196062	/nfs/dbraw/zinc/19/60/62/181196062.db2.gz	LEWOFPCUZYAFDI-UHFFFAOYSA-N	-1	1	317.414	2.734	40	0		DFABMM
Nc1nc(Nc2ccc(Br)cc2)c(N=O)c(=O)[n-]1	ZINC000017315233	182082900	/nfs/dbraw/zinc/08/29/00/182082900.db2.gz	XMWJXJKTGNHLCH-UHFFFAOYSA-N	-1	1	310.111	2.668	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000024256294	182378017	/nfs/dbraw/zinc/37/80/17/182378017.db2.gz	IGIPDPMDJBJKGU-UHFFFAOYSA-N	-1	1	305.355	2.582	40	0		DFABMM
CCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000024259152	182378346	/nfs/dbraw/zinc/37/83/46/182378346.db2.gz	FWIXIESUXOVFEE-UHFFFAOYSA-N	-1	1	319.382	2.836	40	0		DFABMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C	ZINC000084052135	542505852	/nfs/dbraw/zinc/50/58/52/542505852.db2.gz	JRGSVMYJORMRMT-UHFFFAOYSA-N	-1	1	323.418	2.862	40	0		DFABMM
Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C1C(=O)CCCC1=O	ZINC000103619363	257121282	/nfs/dbraw/zinc/12/12/82/257121282.db2.gz	HGEZBWPTQQKPLW-UHFFFAOYSA-N	-1	1	324.380	2.669	40	0		DFABMM
COc1ccc([C@H]2OC3=Nc4ccccc4NC3=C2[O-])cc1OC	ZINC000001588555	425582695	/nfs/dbraw/zinc/58/26/95/425582695.db2.gz	HDGIXWOCASFWDK-NVXWUHKLSA-N	-1	1	324.336	2.869	40	0		DFABMM
CCCCc1c(C)[nH]c2nn(-c3ccc(F)cc3)c([O-])c2c1=O	ZINC000008021047	425658441	/nfs/dbraw/zinc/65/84/41/425658441.db2.gz	SPEVBXSTEOOPIH-UHFFFAOYSA-N	-1	1	315.348	2.797	40	0		DFABMM
CCCCc1c(C)[nH]c2nn(-c3ccc(F)cc3)c(=O)c-2c1[O-]	ZINC000008021047	425658449	/nfs/dbraw/zinc/65/84/49/425658449.db2.gz	SPEVBXSTEOOPIH-UHFFFAOYSA-N	-1	1	315.348	2.797	40	0		DFABMM
CCOc1cc(CNn2c(CC)n[n-]c2=S)ccc1OC	ZINC000008339164	425666839	/nfs/dbraw/zinc/66/68/39/425666839.db2.gz	JRPNPZACJPZLNT-UHFFFAOYSA-N	-1	1	308.407	2.654	40	0		DFABMM
COc1ccc(CNn2c(=S)[n-]nc2-c2ccncc2)cc1	ZINC000008474781	425668813	/nfs/dbraw/zinc/66/88/13/425668813.db2.gz	FWQBSGICPOTOKM-UHFFFAOYSA-N	-1	1	313.386	2.755	40	0		DFABMM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1	ZINC000078234567	426162257	/nfs/dbraw/zinc/16/22/57/426162257.db2.gz	FFPNMPKBMCRVNZ-UHFFFAOYSA-N	-1	1	318.398	2.779	40	0		DFABMM
O=C([O-])c1cccc(CSc2nc(-c3ccncc3)n[nH]2)c1	ZINC000000574190	398345856	/nfs/dbraw/zinc/34/58/56/398345856.db2.gz	MRPVXIXLHCAQID-UHFFFAOYSA-N	-1	1	312.354	2.857	40	0		DFABMM
CC(=O)N1CCC[C@@H](c2nccnc2[N-]c2nc(C)cs2)C1	ZINC000072363477	191132829	/nfs/dbraw/zinc/13/28/29/191132829.db2.gz	OWJUEVNVODEBIE-GFCCVEGCSA-N	-1	1	317.418	2.711	40	0		DFABMM
CC(=O)N1CCC(c2cccc([N-]c3nnc(C)s3)n2)CC1	ZINC000072376126	191138837	/nfs/dbraw/zinc/13/88/37/191138837.db2.gz	LYNDIGSEUPGHPX-UHFFFAOYSA-N	-1	1	317.418	2.711	40	0		DFABMM
CC(=O)N1CCC[C@@H](c2cccc([N-]c3nnc(C)s3)n2)C1	ZINC000072375933	191139428	/nfs/dbraw/zinc/13/94/28/191139428.db2.gz	GBLXSSIFIZVAJC-GFCCVEGCSA-N	-1	1	317.418	2.711	40	0		DFABMM
COc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1F	ZINC000008041223	181522087	/nfs/dbraw/zinc/52/20/87/181522087.db2.gz	BTVHSVLRCXDWAZ-UHFFFAOYSA-N	-1	1	317.288	2.913	40	0		DFABMM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1F	ZINC000020030072	182181621	/nfs/dbraw/zinc/18/16/21/182181621.db2.gz	ISWULPGTARSZNZ-UHFFFAOYSA-N	-1	1	317.288	2.913	40	0		DFABMM
O=C([O-])c1cc(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)[nH]1	ZINC000217714550	304226335	/nfs/dbraw/zinc/22/63/35/304226335.db2.gz	QRMUBTAUNLQJTB-UHFFFAOYSA-N	-1	1	306.627	2.948	40	0		DFABMM
Cc1ccc(-n2cccc2/C=C2/NC(=S)[N-]C2=O)cc1Cl	ZINC000409018643	257224170	/nfs/dbraw/zinc/22/41/70/257224170.db2.gz	XMRGDQUERQLQQE-MDWZMJQESA-N	-1	1	317.801	2.784	40	0		DFABMM
Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)cc1	ZINC000000798424	425570450	/nfs/dbraw/zinc/57/04/50/425570450.db2.gz	ZRUVQYIKNYORSX-NSHDSACASA-N	-1	1	303.387	2.506	40	0		DFABMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(C)=O	ZINC000002536840	425594505	/nfs/dbraw/zinc/59/45/05/425594505.db2.gz	KQKDLRDWGVKCGW-IZZDOVSWSA-N	-1	1	309.368	2.950	40	0		DFABMM
CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(OC)cc1	ZINC000008518279	425670996	/nfs/dbraw/zinc/67/09/96/425670996.db2.gz	AQHVKEZEZBRVOY-AWEZNQCLSA-N	-1	1	324.402	2.730	40	0		DFABMM
O=c1[nH][n-]c2c1[C@H](c1ccccc1)C[C@](O)(c1ccccc1)C2	ZINC000101392638	426484121	/nfs/dbraw/zinc/48/41/21/426484121.db2.gz	VJDMUHOTLRKWKR-VDZJLULYSA-N	-1	1	306.365	2.554	40	0		DFABMM
COc1ccc2cc(C=C3SC(=S)[N-]C3=O)c(=O)[nH]c2c1	ZINC000002301311	277999521	/nfs/dbraw/zinc/99/95/21/277999521.db2.gz	BOTVVRDOXXOOKK-VZUCSPMQSA-N	-1	1	318.379	2.866	40	0		DFABMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)ccc2C)c(C)c1	ZINC000000567126	398346387	/nfs/dbraw/zinc/34/63/87/398346387.db2.gz	QAJBHBOXDJLVLV-UHFFFAOYSA-N	-1	1	318.398	2.512	40	0		DFABMM
Cc1n[nH]c(SC(=Cc2c[nH]c3ccccc23)C(=O)[O-])n1	ZINC000006588216	398355344	/nfs/dbraw/zinc/35/53/44/398355344.db2.gz	ONEOTZSOFLQASE-SDQBBNPISA-N	-1	1	300.343	2.812	40	0		DFABMM
Cc1nc(SC(=Cc2c[nH]c3ccccc23)C(=O)[O-])n[nH]1	ZINC000006588216	398355348	/nfs/dbraw/zinc/35/53/48/398355348.db2.gz	ONEOTZSOFLQASE-SDQBBNPISA-N	-1	1	300.343	2.812	40	0		DFABMM
CCc1nnc([N-]c2cccc([C@H]3CCCN3C(C)=O)n2)s1	ZINC000072375128	191139619	/nfs/dbraw/zinc/13/96/19/191139619.db2.gz	JJQIDTBLRYGXQU-GFCCVEGCSA-N	-1	1	317.418	2.923	40	0		DFABMM
CCc1c(C)nc(SCC(=O)Nc2ccccc2F)[n-]c1=O	ZINC000005021630	181191901	/nfs/dbraw/zinc/19/19/01/181191901.db2.gz	QJUOFXBXLWBVBA-UHFFFAOYSA-N	-1	1	321.377	2.511	40	0		DFABMM
O=c1[nH][n-]c2c1[C@@H](c1ccccc1)C[C@@](O)(c1ccccc1)C2	ZINC000103404993	296386337	/nfs/dbraw/zinc/38/63/37/296386337.db2.gz	VJDMUHOTLRKWKR-SUMDDJOVSA-N	-1	1	306.365	2.554	40	0		DFABMM
O=c1cn[n-]c2c(Br)cc(Br)cc12	ZINC000001728137	285398609	/nfs/dbraw/zinc/39/86/09/285398609.db2.gz	ZPGZUQYUALVEMZ-UHFFFAOYSA-N	-1	1	303.941	2.860	40	0		DFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C	ZINC000000562770	425569109	/nfs/dbraw/zinc/56/91/09/425569109.db2.gz	RHIIULRYLSHWDP-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COc1cccc(CNn2c(=S)[n-]nc2-c2ccncc2)c1	ZINC000008494697	425669276	/nfs/dbraw/zinc/66/92/76/425669276.db2.gz	WAKLYTODTWIUEO-UHFFFAOYSA-N	-1	1	313.386	2.755	40	0		DFABMM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000045868182	425862918	/nfs/dbraw/zinc/86/29/18/425862918.db2.gz	VAMLPDAGOHWOIM-UHFFFAOYSA-N	-1	1	323.345	2.803	40	0		DFABMM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1C	ZINC000028232967	425820481	/nfs/dbraw/zinc/82/04/81/425820481.db2.gz	PFWGIEOLYQKSFT-LLVKDONJSA-N	-1	1	308.403	2.948	40	0		DFABMM
CCc1nc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[n-]1	ZINC000086170542	426255157	/nfs/dbraw/zinc/25/51/57/426255157.db2.gz	QTQOHULHDHZTOT-UHFFFAOYSA-N	-1	1	320.201	2.648	40	0		DFABMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccc(C(F)F)cc1	ZINC000033654060	398546184	/nfs/dbraw/zinc/54/61/84/398546184.db2.gz	NVNGOWODQHZBJY-UHFFFAOYSA-N	-1	1	311.313	2.851	40	0		DFABMM
CCc1nc(SCC(=O)Nc2cccc(C)c2)[n-]c(=O)c1C	ZINC000004861214	181164298	/nfs/dbraw/zinc/16/42/98/181164298.db2.gz	ITZFECKUZLRMRJ-UHFFFAOYSA-N	-1	1	317.414	2.680	40	0		DFABMM
COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000116082207	398757960	/nfs/dbraw/zinc/75/79/60/398757960.db2.gz	DHTBNYJTBNLKDO-ZHACJKMWSA-N	-1	1	317.366	2.674	40	0		DFABMM
Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1	ZINC000019937186	182167047	/nfs/dbraw/zinc/16/70/47/182167047.db2.gz	VWKYBCGGDWSYNW-UHFFFAOYSA-N	-1	1	319.364	2.675	40	0		DFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1	ZINC000041091278	183163708	/nfs/dbraw/zinc/16/37/08/183163708.db2.gz	PWDRSRHNBHIHGY-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
CCS[C@@H](C)CC1CC(=O)C(=C([O-])c2cc(C)no2)C(=O)C1	ZINC000104424053	194006553	/nfs/dbraw/zinc/00/65/53/194006553.db2.gz	GQLQSFUEKPGRPP-NLTNOIMHSA-N	-1	1	323.414	2.862	40	0		DFABMM
COC(=O)c1ccc(CSc2nc(-c3ccco3)n[nH]2)o1	ZINC000408555691	257229622	/nfs/dbraw/zinc/22/96/22/257229622.db2.gz	HYGGLGLXUVVBKI-UHFFFAOYSA-N	-1	1	305.315	2.737	40	0		DFABMM
COc1ccc(-c2nc(N)ncc2-c2cscn2)c([O-])c1	ZINC000000132904	425538630	/nfs/dbraw/zinc/53/86/30/425538630.db2.gz	QHBJKNUXVCHEOY-UHFFFAOYSA-N	-1	1	300.343	2.564	40	0		DFABMM
CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000025503776	425806268	/nfs/dbraw/zinc/80/62/68/425806268.db2.gz	RPYCFKOCNAXROH-UHFFFAOYSA-N	-1	1	319.382	2.593	40	0		DFABMM
COc1ccc2c(c1)[n-]cc(C(=O)NCc1cccs1)c2=O	ZINC000035288823	425843780	/nfs/dbraw/zinc/84/37/80/425843780.db2.gz	KFTJRRWCOHILPN-UHFFFAOYSA-N	-1	1	314.366	2.528	40	0		DFABMM
Cc1ccccc1C(=O)N[C@H](c1n[n-]c(=S)n1C)C(C)C	ZINC000085400133	426251514	/nfs/dbraw/zinc/25/15/14/426251514.db2.gz	BGAIUEGZESFLDB-LBPRGKRZSA-N	-1	1	304.419	2.913	40	0		DFABMM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000225144354	426594285	/nfs/dbraw/zinc/59/42/85/426594285.db2.gz	IVRLWMLETKENNW-UHFFFAOYSA-N	-1	1	305.355	2.664	40	0		DFABMM
CCOC(=O)c1sc(Nc2nc(C(C)C)cc(=O)[n-]2)nc1C	ZINC000019819586	276305047	/nfs/dbraw/zinc/30/50/47/276305047.db2.gz	JGNQTDXRBRJKFA-UHFFFAOYSA-N	-1	1	322.390	2.579	40	0		DFABMM
C=CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1	ZINC000006588256	398355616	/nfs/dbraw/zinc/35/56/16/398355616.db2.gz	JELVITSLEWKZIE-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
C=CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1	ZINC000006588256	398355617	/nfs/dbraw/zinc/35/56/17/398355617.db2.gz	JELVITSLEWKZIE-LCYFTJDESA-N	-1	1	317.370	2.896	40	0		DFABMM
Cc1cccc(C(=O)N[C@@H](c2n[n-]c(=S)n2C)C(C)C)c1	ZINC000005519720	181253377	/nfs/dbraw/zinc/25/33/77/181253377.db2.gz	XFOSKHHPQFBVCH-GFCCVEGCSA-N	-1	1	304.419	2.913	40	0		DFABMM
COc1ccc([C@H](O)CC([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000006411345	181339447	/nfs/dbraw/zinc/33/94/47/181339447.db2.gz	AZJHEHMCDGFJGU-SECBINFHSA-N	-1	1	318.213	2.974	40	0		DFABMM
COc1cc(C)cc(C(=O)C2=NNC[C@@H]2c2ccccc2)c1[O-]	ZINC000006484306	181344106	/nfs/dbraw/zinc/34/41/06/181344106.db2.gz	XZNWSHLSVOUMIA-CQSZACIVSA-N	-1	1	310.353	2.635	40	0		DFABMM
O=C([O-])c1ccccc1-c1ccc(CN2CC(c3cc[nH]n3)C2)o1	ZINC000257297800	203023009	/nfs/dbraw/zinc/02/30/09/203023009.db2.gz	RIVSSGDUKHCXHT-UHFFFAOYSA-N	-1	1	323.352	2.967	40	0		DFABMM
COC(OC)c1[nH]c(=S)[n-]c(=O)c1Cc1cc(C)ccc1C	ZINC000016977635	182067434	/nfs/dbraw/zinc/06/74/34/182067434.db2.gz	ZFBZGJCQWNEZER-UHFFFAOYSA-N	-1	1	320.414	2.932	40	0		DFABMM
COc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1	ZINC000019937249	182167004	/nfs/dbraw/zinc/16/70/04/182167004.db2.gz	KWYHVMKTOWQITM-UHFFFAOYSA-N	-1	1	321.336	2.698	40	0		DFABMM
CCOc1ccc(CNn2c(C)n[n-]c2=S)cc1OCC	ZINC000008324956	425665338	/nfs/dbraw/zinc/66/53/38/425665338.db2.gz	BVOJRVKCCXSFJN-UHFFFAOYSA-N	-1	1	308.407	2.790	40	0		DFABMM
O=C([O-])c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1	ZINC000011801788	425713277	/nfs/dbraw/zinc/71/32/77/425713277.db2.gz	SEAYUVBEOAERRV-UHFFFAOYSA-N	-1	1	314.360	2.846	40	0		DFABMM
O=c1[n-]c(-c2ccccc2)nc2c1OCN(Cc1ccccc1)C2	ZINC000017380856	425786812	/nfs/dbraw/zinc/78/68/12/425786812.db2.gz	HHIGLELKXRBSBP-UHFFFAOYSA-N	-1	1	319.364	2.789	40	0		DFABMM
[O-]c1cc(Br)c(F)cc1I	ZINC000238727145	426710869	/nfs/dbraw/zinc/71/08/69/426710869.db2.gz	GVHOPCFUIIHTFH-UHFFFAOYSA-N	-1	1	316.895	2.898	40	0		DFABMM
CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(C)=O)n2)s1	ZINC000072375127	191140022	/nfs/dbraw/zinc/14/00/22/191140022.db2.gz	JJQIDTBLRYGXQU-LBPRGKRZSA-N	-1	1	317.418	2.923	40	0		DFABMM
Cc1cc([N-]S(=O)(=O)c2cccnc2)ccc1N1CCCC1	ZINC000078773325	191929080	/nfs/dbraw/zinc/92/90/80/191929080.db2.gz	RFYCEFUQENIBHV-UHFFFAOYSA-N	-1	1	317.414	2.791	40	0		DFABMM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c1	ZINC000007230449	425639334	/nfs/dbraw/zinc/63/93/34/425639334.db2.gz	YCPHWAFVUJBJQJ-UHFFFAOYSA-N	-1	1	323.345	2.942	40	0		DFABMM
Nc1nc(=O)c2sc3nc(-c4cccs4)ccc3c2[n-]1	ZINC000016430734	425785701	/nfs/dbraw/zinc/78/57/01/425785701.db2.gz	HGGDMJZQXRBKRJ-UHFFFAOYSA-N	-1	1	300.368	2.844	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1C	ZINC000075081342	426062136	/nfs/dbraw/zinc/06/21/36/426062136.db2.gz	QBQSZUHWVHJPKL-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
Cc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1	ZINC000019937205	280913103	/nfs/dbraw/zinc/91/31/03/280913103.db2.gz	CWCPPFCRAZEKII-UHFFFAOYSA-N	-1	1	305.337	2.998	40	0		DFABMM
CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000006706778	398356545	/nfs/dbraw/zinc/35/65/45/398356545.db2.gz	UEDDFWMBQBKRRN-UHFFFAOYSA-N	-1	1	318.398	2.546	40	0		DFABMM
CCN1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1	ZINC000113727996	398740644	/nfs/dbraw/zinc/74/06/44/398740644.db2.gz	DXGMLYMAPAJISM-UHFFFAOYSA-N	-1	1	316.323	2.541	40	0		DFABMM
CCc1c(C)nc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O	ZINC000005021631	181191612	/nfs/dbraw/zinc/19/16/12/181191612.db2.gz	QWZORMNXNPXHQE-UHFFFAOYSA-N	-1	1	321.377	2.511	40	0		DFABMM
CC(C)Cn1ncc(C(=O)Nc2ccncc2[O-])c1C(F)F	ZINC000195557102	399184850	/nfs/dbraw/zinc/18/48/50/399184850.db2.gz	HCJINXMDEATDJH-UHFFFAOYSA-N	-1	1	310.304	2.830	40	0		DFABMM
COc1ccc(C)cc1S(=O)(=O)[N-]c1cccnc1Cl	ZINC000016780352	182060476	/nfs/dbraw/zinc/06/04/76/182060476.db2.gz	CEOFWODBNOPGKU-UHFFFAOYSA-N	-1	1	312.778	2.853	40	0		DFABMM
O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937352	182167092	/nfs/dbraw/zinc/16/70/92/182167092.db2.gz	WEZVFAURUOKPRF-UHFFFAOYSA-N	-1	1	323.327	2.506	40	0		DFABMM
O=C([O-])c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O	ZINC000008659898	304254052	/nfs/dbraw/zinc/25/40/52/304254052.db2.gz	BUPBPZVMZMNSRZ-UHFFFAOYSA-N	-1	1	304.371	2.889	40	0		DFABMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C	ZINC000408618918	257229342	/nfs/dbraw/zinc/22/93/42/257229342.db2.gz	GOFISYFROZYAAB-UHFFFAOYSA-N	-1	1	322.361	2.893	40	0		DFABMM
O=C(CSc1nc2ccccc2[nH]1)[N-]C(=O)c1ccccc1	ZINC000000138097	425539355	/nfs/dbraw/zinc/53/93/55/425539355.db2.gz	OPWKXHLJBUWRMB-UHFFFAOYSA-N	-1	1	311.366	2.612	40	0		DFABMM
COc1ccc([C@@H]2OC3=Nc4ccccc4NC3=C2[O-])cc1OC	ZINC000104239938	425960598	/nfs/dbraw/zinc/96/05/98/425960598.db2.gz	HDGIXWOCASFWDK-RDJZCZTQSA-N	-1	1	324.336	2.869	40	0		DFABMM
Cc1n[nH]c(SC(=Cc2cn(C)c3ccccc23)C(=O)[O-])n1	ZINC000006328701	398354540	/nfs/dbraw/zinc/35/45/40/398354540.db2.gz	OGLAMAAHZFWERO-QPEQYQDCSA-N	-1	1	314.370	2.823	40	0		DFABMM
Cc1nc(SC(=Cc2cn(C)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000006328701	398354542	/nfs/dbraw/zinc/35/45/42/398354542.db2.gz	OGLAMAAHZFWERO-QPEQYQDCSA-N	-1	1	314.370	2.823	40	0		DFABMM
NC1=N[P@@]([O-])(Oc2ccccc2)=NC(=Nc2ccccc2)N1	ZINC000006616075	398355400	/nfs/dbraw/zinc/35/54/00/398355400.db2.gz	YDNJQICWYDZXJX-JOCHJYFZSA-N	-1	1	315.273	2.800	40	0		DFABMM
CCc1nnc([N-]c2cc([C@@H]3CCCN3C)nc(C)n2)s1	ZINC000072360123	191131037	/nfs/dbraw/zinc/13/10/37/191131037.db2.gz	REBVQFYQFKBTJV-NSHDSACASA-N	-1	1	304.423	2.709	40	0		DFABMM
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)c2nn[n-]n2)c1C	ZINC000004169445	181081106	/nfs/dbraw/zinc/08/11/06/181081106.db2.gz	CIWTVNQVIAPPAR-OAHLLOKOSA-N	-1	1	321.384	2.782	40	0		DFABMM
Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)c2nn[n-]n2)c1C	ZINC000004169444	181081325	/nfs/dbraw/zinc/08/13/25/181081325.db2.gz	CIWTVNQVIAPPAR-HNNXBMFYSA-N	-1	1	321.384	2.782	40	0		DFABMM
COc1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1	ZINC000019937248	182166955	/nfs/dbraw/zinc/16/69/55/182166955.db2.gz	ZLXXZRHMEAYDHE-UHFFFAOYSA-N	-1	1	321.336	2.698	40	0		DFABMM
O=C([N-]c1n[nH]c(-c2ccoc2)n1)c1c(F)cc(F)cc1F	ZINC000084618087	542513040	/nfs/dbraw/zinc/51/30/40/542513040.db2.gz	HPLQIVWTJQFDQT-UHFFFAOYSA-N	-1	1	308.219	2.734	40	0		DFABMM
CN1C(=O)S/C(=C\c2ccc([O-])c(Br)c2)C1=O	ZINC000408814088	257226839	/nfs/dbraw/zinc/22/68/39/257226839.db2.gz	RJGLKVLTYZRNLT-UITAMQMPSA-N	-1	1	314.160	2.821	40	0		DFABMM
C[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000408815954	257226910	/nfs/dbraw/zinc/22/69/10/257226910.db2.gz	RYZPKCMZAWHMMN-HZMBPMFUSA-N	-1	1	301.342	2.807	40	0		DFABMM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1C	ZINC000028232971	425820154	/nfs/dbraw/zinc/82/01/54/425820154.db2.gz	PFWGIEOLYQKSFT-NSHDSACASA-N	-1	1	308.403	2.948	40	0		DFABMM
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c(F)c1	ZINC000084144553	426232872	/nfs/dbraw/zinc/23/28/72/426232872.db2.gz	CPTDWJKIFZWTDP-UHFFFAOYSA-N	-1	1	315.757	2.566	40	0		DFABMM
CCOC(=O)c1[n-]nc(OC2CCCC2)c1Br	ZINC000096509311	426438464	/nfs/dbraw/zinc/43/84/64/426438464.db2.gz	AXYCQKPGTYQIQZ-UHFFFAOYSA-N	-1	1	303.156	2.670	40	0		DFABMM
CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000098077589	426478365	/nfs/dbraw/zinc/47/83/65/426478365.db2.gz	RZCWYWBQORIHLB-UHFFFAOYSA-N	-1	1	323.345	2.887	40	0		DFABMM
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000582546	180826805	/nfs/dbraw/zinc/82/68/05/180826805.db2.gz	FNMSAFJHFXPPDH-UHFFFAOYSA-N	-1	1	318.398	2.626	40	0		DFABMM
O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937219	182166975	/nfs/dbraw/zinc/16/69/75/182166975.db2.gz	OJNGWLJBVDUQSL-UHFFFAOYSA-N	-1	1	309.300	2.828	40	0		DFABMM
COc1ccccc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937247	182167338	/nfs/dbraw/zinc/16/73/38/182167338.db2.gz	FICUXBBXNNNKEH-UHFFFAOYSA-N	-1	1	321.336	2.698	40	0		DFABMM
CCOc1cc(C)c(/C=C2/NC(=S)[N-]C2=O)cc1C(C)C	ZINC000408852576	257226341	/nfs/dbraw/zinc/22/63/41/257226341.db2.gz	LGROZITYOMGFFC-MDWZMJQESA-N	-1	1	304.415	2.862	40	0		DFABMM
C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000408815961	257226438	/nfs/dbraw/zinc/22/64/38/257226438.db2.gz	RYZPKCMZAWHMMN-IINYFYTJSA-N	-1	1	301.342	2.807	40	0		DFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000000582486	425569573	/nfs/dbraw/zinc/56/95/73/425569573.db2.gz	SSGALCNZFALVNC-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000025453813	425805466	/nfs/dbraw/zinc/80/54/66/425805466.db2.gz	BJHRDZLRZVJMAO-UHFFFAOYSA-N	-1	1	305.355	2.582	40	0		DFABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(Cl)c1	ZINC000079021056	426189554	/nfs/dbraw/zinc/18/95/54/426189554.db2.gz	KUQHQFWTDWMZHU-UHFFFAOYSA-N	-1	1	322.777	2.721	40	0		DFABMM
Cc1ccccc1C(=O)N[C@@H](c1n[n-]c(=S)n1C)C(C)C	ZINC000085400130	426251089	/nfs/dbraw/zinc/25/10/89/426251089.db2.gz	BGAIUEGZESFLDB-GFCCVEGCSA-N	-1	1	304.419	2.913	40	0		DFABMM
O=S(=O)([N-]c1ccncc1)c1cccc(Br)c1	ZINC000037385853	527255546	/nfs/dbraw/zinc/25/55/46/527255546.db2.gz	ICOOOAVLTGLQTB-UHFFFAOYSA-N	-1	1	313.176	2.645	40	0		DFABMM
COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1[O-]	ZINC000008222645	398371210	/nfs/dbraw/zinc/37/12/10/398371210.db2.gz	MESOUGARVUTPAH-RKDXNWHRSA-N	-1	1	315.822	2.839	40	0		DFABMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1	ZINC000032081684	398526733	/nfs/dbraw/zinc/52/67/33/398526733.db2.gz	QEVIANFBIRQBGU-UHFFFAOYSA-N	-1	1	318.398	2.512	40	0		DFABMM
CCc1ccc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1	ZINC000004944180	181176796	/nfs/dbraw/zinc/17/67/96/181176796.db2.gz	MWMGTWRIMNUIEI-NSHDSACASA-N	-1	1	315.398	2.528	40	0		DFABMM
COc1cc(C)cc(C(=O)C2=NNC[C@H]2c2ccccc2)c1[O-]	ZINC000005734728	181278901	/nfs/dbraw/zinc/27/89/01/181278901.db2.gz	XZNWSHLSVOUMIA-AWEZNQCLSA-N	-1	1	310.353	2.635	40	0		DFABMM
S=c1[n-]cnc2c1cnn2-c1cccc(Br)c1	ZINC000019723930	182139161	/nfs/dbraw/zinc/13/91/61/182139161.db2.gz	WRIJIFZYLUSQNB-UHFFFAOYSA-N	-1	1	307.176	2.867	40	0		DFABMM
O=C([O-])[C@@H]1CCCN(Cc2cc(Br)cs2)C1	ZINC000038539956	183001405	/nfs/dbraw/zinc/00/14/05/183001405.db2.gz	YODQQCVLEOMHPF-MRVPVSSYSA-N	-1	1	304.209	2.807	40	0		DFABMM
O=C([O-])c1cc(=O)n(-c2ccc(Cl)cc2C(F)(F)F)[nH]1	ZINC000217697558	304226470	/nfs/dbraw/zinc/22/64/70/304226470.db2.gz	XDPNGNLFYQVCBZ-UHFFFAOYSA-N	-1	1	306.627	2.948	40	0		DFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000000582500	425569072	/nfs/dbraw/zinc/56/90/72/425569072.db2.gz	ZQDANCNNTHTWQL-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl	ZINC000031904004	425836958	/nfs/dbraw/zinc/83/69/58/425836958.db2.gz	HLFTVFFZECHIHU-UHFFFAOYSA-N	-1	1	318.609	2.572	40	0		DFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1F	ZINC000032586142	333416780	/nfs/dbraw/zinc/41/67/80/333416780.db2.gz	BRROAURGHMLSNR-UHFFFAOYSA-N	-1	1	317.288	2.913	40	0		DFABMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)ccc2C)cc1C	ZINC000006368727	398354455	/nfs/dbraw/zinc/35/44/55/398354455.db2.gz	LVBBKMMONJIPTI-UHFFFAOYSA-N	-1	1	318.398	2.512	40	0		DFABMM
CC(=O)N1CCC[C@@H]1c1nccnc1[N-]c1nc(C)cs1	ZINC000072384634	191144333	/nfs/dbraw/zinc/14/43/33/191144333.db2.gz	ZJDPPTWHVVLCGS-LLVKDONJSA-N	-1	1	303.391	2.669	40	0		DFABMM
Nc1nc(Nc2ccc(Cl)c(Cl)c2)c(N=O)c(=O)[n-]1	ZINC000017314416	182082692	/nfs/dbraw/zinc/08/26/92/182082692.db2.gz	GJLCKMOETDZXJZ-UHFFFAOYSA-N	-1	1	300.105	2.800	40	0		DFABMM
O=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937218	182167098	/nfs/dbraw/zinc/16/70/98/182167098.db2.gz	WOPHBJCHPQDBDQ-UHFFFAOYSA-N	-1	1	309.300	2.828	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C	ZINC000223795739	426589336	/nfs/dbraw/zinc/58/93/36/426589336.db2.gz	FRWCOOIAUZGZLJ-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
Nc1cc(Br)c([O-])c(-c2nc3ncccc3o2)c1	ZINC000073634590	191332998	/nfs/dbraw/zinc/33/29/98/191332998.db2.gz	BOZCYOAHXKXXNR-UHFFFAOYSA-N	-1	1	306.119	2.940	40	0		DFABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1	ZINC000074928360	191388576	/nfs/dbraw/zinc/38/85/76/191388576.db2.gz	FGLAGGJBRYSGRG-UHFFFAOYSA-N	-1	1	322.361	2.893	40	0		DFABMM
CC(=O)N(C)Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1	ZINC000079026249	399009411	/nfs/dbraw/zinc/00/94/11/399009411.db2.gz	QSXIOUBFZBZTKJ-UHFFFAOYSA-N	-1	1	316.332	2.762	40	0		DFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)s1	ZINC000006679986	181369796	/nfs/dbraw/zinc/36/97/96/181369796.db2.gz	JKTPSBDERJUYCW-UHFFFAOYSA-N	-1	1	324.427	2.525	40	0		DFABMM
O=C1NC(=O)C(c2c[nH]c3cccc(Br)c23)=C1[O-]	ZINC000071257763	425984820	/nfs/dbraw/zinc/98/48/20/425984820.db2.gz	DYKOGGZTZZVJTI-UHFFFAOYSA-N	-1	1	307.103	2.696	40	0		DFABMM
Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1	ZINC000078899996	185125498	/nfs/dbraw/zinc/12/54/98/185125498.db2.gz	JVACMEQEQICTNW-UHFFFAOYSA-N	-1	1	323.345	2.562	40	0		DFABMM
CC(C)c1cc(/C=C2/NC(=S)[N-]C2=O)cc(C(C)C)c1O	ZINC000143283981	398901758	/nfs/dbraw/zinc/90/17/58/398901758.db2.gz	JBFTZYKCIIQTGI-NTUHNPAUSA-N	-1	1	304.415	2.984	40	0		DFABMM
Fc1ccc(NCc2n[n-]c(=S)n2C[C@@H]2CCCO2)cc1	ZINC000006557395	181354388	/nfs/dbraw/zinc/35/43/88/181354388.db2.gz	QZWPEILBFSIVMV-LBPRGKRZSA-N	-1	1	308.382	2.871	40	0		DFABMM
Cc1cc(C)c2nc(Nc3nc4c(c(=O)[n-]3)CCC4)nc(C)c2c1	ZINC000014608248	425772973	/nfs/dbraw/zinc/77/29/73/425772973.db2.gz	CAGMIKQOBBMKDG-UHFFFAOYSA-N	-1	1	321.384	2.871	40	0		DFABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1	ZINC000032585483	425839049	/nfs/dbraw/zinc/83/90/49/425839049.db2.gz	WBKXCLMYJBOZNF-UHFFFAOYSA-N	-1	1	307.371	2.813	40	0		DFABMM
Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCN(C)C2	ZINC000020131628	301267338	/nfs/dbraw/zinc/26/73/38/301267338.db2.gz	XPZIZBZKBPFDHH-UHFFFAOYSA-N	-1	1	318.398	2.654	40	0		DFABMM
CC(=O)N1CCC[C@H](c2nccnc2[N-]c2nc(C)cs2)C1	ZINC000072363478	191132544	/nfs/dbraw/zinc/13/25/44/191132544.db2.gz	OWJUEVNVODEBIE-LBPRGKRZSA-N	-1	1	317.418	2.711	40	0		DFABMM
CC(=O)N1CCC[C@H](c2cccc([N-]c3nnc(C)s3)n2)C1	ZINC000072375934	191138975	/nfs/dbraw/zinc/13/89/75/191138975.db2.gz	GBLXSSIFIZVAJC-LBPRGKRZSA-N	-1	1	317.418	2.711	40	0		DFABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1	ZINC000074928358	191388616	/nfs/dbraw/zinc/38/86/16/191388616.db2.gz	HKCGYVDQVVENJL-UHFFFAOYSA-N	-1	1	322.361	2.893	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000024256363	182377991	/nfs/dbraw/zinc/37/79/91/182377991.db2.gz	PXYWZPXTUXTXGN-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
O=C([O-])c1cc(=O)n(-c2cc(C(F)(F)F)ccc2Cl)[nH]1	ZINC000217696399	304226311	/nfs/dbraw/zinc/22/63/11/304226311.db2.gz	LBBLRORCPCVFHM-UHFFFAOYSA-N	-1	1	306.627	2.948	40	0		DFABMM
O=C([O-])c1cccc(CSc2nc(-c3ccccn3)n[nH]2)c1	ZINC000408580913	257229582	/nfs/dbraw/zinc/22/95/82/257229582.db2.gz	FGVBYDZJINTWAZ-UHFFFAOYSA-N	-1	1	312.354	2.857	40	0		DFABMM
COc1cc([C@H]2CC(=O)c3c(O)cc([O-])cc3O2)ccc1O	ZINC000000899370	425573180	/nfs/dbraw/zinc/57/31/80/425573180.db2.gz	FTODBIPDTXRIGS-CYBMUJFWSA-N	-1	1	302.282	2.519	40	0	biogenic,in-vitro	DFABMM
COc1cc(C(=S)N2CCCC2)cc(Br)c1[O-]	ZINC000001443834	425581195	/nfs/dbraw/zinc/58/11/95/425581195.db2.gz	DEUPURJOSGPZBX-UHFFFAOYSA-N	-1	1	316.220	2.935	40	0		DFABMM
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000007417223	425644101	/nfs/dbraw/zinc/64/41/01/425644101.db2.gz	UXAHBLQMYNAGHD-UHFFFAOYSA-N	-1	1	321.354	2.503	40	0		DFABMM
O=c1c2c([O-])cc(-c3ccccc3)[nH]c-2nn1-c1ccc(F)cc1	ZINC000008020833	425657764	/nfs/dbraw/zinc/65/77/64/425657764.db2.gz	VENOGLGADMMVRG-UHFFFAOYSA-N	-1	1	321.311	2.813	40	0		DFABMM
Cc1nc(SCC(C)C)[n-]c(=O)c1CC(=O)OCC(C)C	ZINC000013464835	425755707	/nfs/dbraw/zinc/75/57/07/425755707.db2.gz	CGEXZLGPTDYWOZ-UHFFFAOYSA-N	-1	1	312.435	2.568	40	0		DFABMM
Cc1[nH]nc(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)[O-]	ZINC000038580632	425851003	/nfs/dbraw/zinc/85/10/03/425851003.db2.gz	PFTSQSSKKOLULW-UHFFFAOYSA-N	-1	1	309.366	2.531	40	0		DFABMM
O=C1NC(=O)C(c2c[nH]c3c2cccc3Br)=C1[O-]	ZINC000071257753	425984186	/nfs/dbraw/zinc/98/41/86/425984186.db2.gz	KPYVLZAIQNFFBZ-UHFFFAOYSA-N	-1	1	307.103	2.696	40	0		DFABMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2	ZINC000078403661	426168436	/nfs/dbraw/zinc/16/84/36/426168436.db2.gz	BMSIMYLYOXWROI-UHFFFAOYSA-N	-1	1	318.398	2.854	40	0		DFABMM
O=c1[n-]c(Oc2cccnc2)nc2c1cnn2-c1ccccc1	ZINC000078804563	426186862	/nfs/dbraw/zinc/18/68/62/426186862.db2.gz	FGKVQVMULQJPQM-UHFFFAOYSA-N	-1	1	305.297	2.708	40	0		DFABMM
O=C([N-]c1n[nH]c(C2CCC2)n1)c1ncsc1C(F)(F)F	ZINC000280341509	426553505	/nfs/dbraw/zinc/55/35/05/426553505.db2.gz	QAUZNPLCMYATNT-UHFFFAOYSA-N	-1	1	317.296	2.800	40	0		DFABMM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000225144412	426595467	/nfs/dbraw/zinc/59/54/67/426595467.db2.gz	KKEZOEJIONSHLO-UHFFFAOYSA-N	-1	1	319.382	2.973	40	0		DFABMM
O=c1cc([C@H]2CCCCN2CCC(F)(F)F)nc2cc[n-]n21	ZINC000257324765	427333181	/nfs/dbraw/zinc/33/31/81/427333181.db2.gz	WQBIKHOBDGVCFA-LLVKDONJSA-N	-1	1	314.311	2.914	40	0		DFABMM
O=c1cc([C@@H]2CCCCN2CCC(F)(F)F)nc2cc[n-]n21	ZINC000257324766	427333382	/nfs/dbraw/zinc/33/33/82/427333382.db2.gz	WQBIKHOBDGVCFA-NSHDSACASA-N	-1	1	314.311	2.914	40	0		DFABMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1	ZINC000032080857	398526711	/nfs/dbraw/zinc/52/67/11/398526711.db2.gz	DNSPNWGGGILWEV-UHFFFAOYSA-N	-1	1	318.398	2.512	40	0		DFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000006362158	181334417	/nfs/dbraw/zinc/33/44/17/181334417.db2.gz	NFUSDMGGUUFOPP-UHFFFAOYSA-N	-1	1	305.355	2.582	40	0		DFABMM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)c[nH]1	ZINC000078967425	399004362	/nfs/dbraw/zinc/00/43/62/399004362.db2.gz	KWFWPBOYJMHOAR-UHFFFAOYSA-N	-1	1	322.386	2.609	40	0		DFABMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2C)n1	ZINC000018102301	182093485	/nfs/dbraw/zinc/09/34/85/182093485.db2.gz	HOBVDUXFQRHGBG-LLVKDONJSA-N	-1	1	303.387	2.506	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000024257350	182377733	/nfs/dbraw/zinc/37/77/33/182377733.db2.gz	FTFNDMGEVFRKGL-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
Cn1cnc(S(=O)(=O)[N-]CC2CCCCCCC2)c1Cl	ZINC000084331759	542508135	/nfs/dbraw/zinc/50/81/35/542508135.db2.gz	VVDNLIFDDHAMMD-UHFFFAOYSA-N	-1	1	319.858	2.712	40	0		DFABMM
CCCc1n[n-]c(=S)n1NCc1cccc(OC)c1OC	ZINC000007601351	425647739	/nfs/dbraw/zinc/64/77/39/425647739.db2.gz	KPXRLBCPAZHGDF-UHFFFAOYSA-N	-1	1	308.407	2.654	40	0		DFABMM
Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C	ZINC000011174672	425707229	/nfs/dbraw/zinc/70/72/29/425707229.db2.gz	CSDLLUXAQFJJOD-UHFFFAOYSA-N	-1	1	318.354	2.539	40	0		DFABMM
O=S(=O)([N-]c1nccnc1Cl)c1ccc(Cl)cc1	ZINC000141696356	186030746	/nfs/dbraw/zinc/03/07/46/186030746.db2.gz	OEHBGBRXRBWXKD-UHFFFAOYSA-N	-1	1	304.158	2.584	40	0		DFABMM
CCOc1cc(S(=O)(=O)[N-]c2ccncc2)c(C)cc1C	ZINC000072414388	191155333	/nfs/dbraw/zinc/15/53/33/191155333.db2.gz	QLORBSLMXAPXJQ-UHFFFAOYSA-N	-1	1	306.387	2.898	40	0		DFABMM
COc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)ccc1O	ZINC000004098322	181072504	/nfs/dbraw/zinc/07/25/04/181072504.db2.gz	FTODBIPDTXRIGS-ZDUSSCGKSA-N	-1	1	302.282	2.519	40	0	biogenic,in-vivo	DFABMM
O=C([O-])c1cccc(NC(=O)CNCc2ccc(Cl)cc2)c1	ZINC000004969241	181181446	/nfs/dbraw/zinc/18/14/46/181181446.db2.gz	QPBVRXNDTIAUCC-UHFFFAOYSA-N	-1	1	318.760	2.767	40	0		DFABMM
CCc1cccc(CC)c1NC(=O)CSc1nccc(=O)[n-]1	ZINC000005045198	181196257	/nfs/dbraw/zinc/19/62/57/181196257.db2.gz	SZTPOYYDJIRVLX-UHFFFAOYSA-N	-1	1	317.414	2.626	40	0		DFABMM
CCOC(=O)c1cnc(SCc2ccccc2Cl)[n-]c1=O	ZINC000017316298	182082956	/nfs/dbraw/zinc/08/29/56/182082956.db2.gz	REZUFOCXCJUPAP-UHFFFAOYSA-N	-1	1	324.789	2.892	40	0		DFABMM
O=C([O-])c1ccccc1-c1ccc(CN2CCCOCC2)nc1	ZINC000257289792	304266462	/nfs/dbraw/zinc/26/64/62/304266462.db2.gz	QAEWUBYRDNVNQM-UHFFFAOYSA-N	-1	1	312.369	2.669	40	0		DFABMM
C[C@H](NC(=O)c1cc2ccc([O-])cc2oc1=O)c1ccccc1	ZINC000408802843	257226689	/nfs/dbraw/zinc/22/66/89/257226689.db2.gz	ICLXBLZBFIKDAO-NSHDSACASA-N	-1	1	309.321	2.990	40	0		DFABMM
COC(=O)c1cc(Cl)c(NC(C)=O)c(Br)c1[O-]	ZINC000211499621	542869921	/nfs/dbraw/zinc/86/99/21/542869921.db2.gz	JVHHLYLHOXWORE-UHFFFAOYSA-N	-1	1	322.542	2.553	40	0		DFABMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1F	ZINC000001430052	425581363	/nfs/dbraw/zinc/58/13/63/425581363.db2.gz	QRQAXGBJVLKMLO-UHFFFAOYSA-N	-1	1	305.334	2.811	40	0		DFABMM
COc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1	ZINC000007361264	425642909	/nfs/dbraw/zinc/64/29/09/425642909.db2.gz	ULBMUBMADUGION-UHFFFAOYSA-N	-1	1	311.334	2.644	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C	ZINC000075081333	426062112	/nfs/dbraw/zinc/06/21/12/426062112.db2.gz	MWCOGWOIKXQIFV-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2	ZINC000096531487	426439267	/nfs/dbraw/zinc/43/92/67/426439267.db2.gz	HXHQAMLZVQGSJP-UHFFFAOYSA-N	-1	1	305.378	2.602	40	0		DFABMM
O=c1[nH][n-]c2c1[C@H](c1ccccc1)C[C@@](O)(c1ccccc1)C2	ZINC000101392640	426484175	/nfs/dbraw/zinc/48/41/75/426484175.db2.gz	VJDMUHOTLRKWKR-IEZWGBDMSA-N	-1	1	306.365	2.554	40	0		DFABMM
O=C([O-])c1ccccc1-c1ccc(CN2CCCOCC2)o1	ZINC000257252869	427325880	/nfs/dbraw/zinc/32/58/80/427325880.db2.gz	JWKWVRGSIANTOG-UHFFFAOYSA-N	-1	1	301.342	2.867	40	0		DFABMM
O=C([O-])[C@@H]1C[C@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1	ZINC000225606304	398350095	/nfs/dbraw/zinc/35/00/95/398350095.db2.gz	XMMRDVWAEOSRGS-HQRZJTNHSA-N	-1	1	300.383	2.814	40	0		DFABMM
CCOC(=O)c1c(NC(=O)c2ccccc2)n[n-]c1SC	ZINC000005728096	181277655	/nfs/dbraw/zinc/27/76/55/181277655.db2.gz	FQOSXCUQVIVAID-UHFFFAOYSA-N	-1	1	305.359	2.561	40	0		DFABMM
CCOC(=O)c1c(NC(=O)c2ccccc2)[n-]nc1SC	ZINC000005728096	181277657	/nfs/dbraw/zinc/27/76/57/181277657.db2.gz	FQOSXCUQVIVAID-UHFFFAOYSA-N	-1	1	305.359	2.561	40	0		DFABMM
CCOC(=O)c1[n-]c(=S)n(-c2ccccc2)c1C(=O)OCC	ZINC000017021968	182068107	/nfs/dbraw/zinc/06/81/07/182068107.db2.gz	PJLJARJJENHAGL-UHFFFAOYSA-N	-1	1	320.370	2.888	40	0		DFABMM
Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937203	182166953	/nfs/dbraw/zinc/16/69/53/182166953.db2.gz	FNIDXTYTTOSHMQ-UHFFFAOYSA-N	-1	1	305.337	2.998	40	0		DFABMM
CCCc1[nH]c2nn(-c3ccccc3)c([O-])c2c(=O)c1Cl	ZINC000008018228	425657465	/nfs/dbraw/zinc/65/74/65/425657465.db2.gz	HFSKFSPLKOHEOL-UHFFFAOYSA-N	-1	1	303.749	2.613	40	0		DFABMM
CCCc1[nH]c2nn(-c3ccccc3)c(=O)c-2c([O-])c1Cl	ZINC000008018228	425657470	/nfs/dbraw/zinc/65/74/70/425657470.db2.gz	HFSKFSPLKOHEOL-UHFFFAOYSA-N	-1	1	303.749	2.613	40	0		DFABMM
C[C@H](O)c1ccc(-c2ccc(CNn3cn[n-]c3=S)o2)cc1	ZINC000008534144	425670269	/nfs/dbraw/zinc/67/02/69/425670269.db2.gz	YWAQBHURSBRLTM-JTQLQIEISA-N	-1	1	316.386	2.998	40	0		DFABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1	ZINC000028258500	425820127	/nfs/dbraw/zinc/82/01/27/425820127.db2.gz	BBCSHRDVKKQEKR-UHFFFAOYSA-N	-1	1	324.789	2.548	40	0		DFABMM
Cc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1C	ZINC000223315003	426587892	/nfs/dbraw/zinc/58/78/92/426587892.db2.gz	HSLZHUBRWABATQ-UHFFFAOYSA-N	-1	1	318.354	2.539	40	0		DFABMM
Cc1sc(C(N)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000006679922	181370228	/nfs/dbraw/zinc/37/02/28/181370228.db2.gz	VLJGIMNOGWGXSQ-UHFFFAOYSA-N	-1	1	324.427	2.573	40	0		DFABMM
C[C@@H](NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)c1ccccc1	ZINC000019937191	182166996	/nfs/dbraw/zinc/16/69/96/182166996.db2.gz	HVZWLSXJGMCGPD-CYBMUJFWSA-N	-1	1	319.364	2.928	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000024256394	182378353	/nfs/dbraw/zinc/37/83/53/182378353.db2.gz	KOXBEDDYQBHYJT-UHFFFAOYSA-N	-1	1	305.355	2.582	40	0		DFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1C	ZINC000408607110	257229404	/nfs/dbraw/zinc/22/94/04/257229404.db2.gz	QBNKSWIFWAWVER-UHFFFAOYSA-N	-1	1	318.398	2.546	40	0		DFABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2o1	ZINC000001509403	425581485	/nfs/dbraw/zinc/58/14/85/425581485.db2.gz	BDHNTUYTDGTMJA-UHFFFAOYSA-N	-1	1	324.745	2.575	40	0		DFABMM
CCCc1n[n-]c(=S)n1NCc1ccc(OC)c(OC)c1	ZINC000007601264	425646886	/nfs/dbraw/zinc/64/68/86/425646886.db2.gz	QYDSBMVARRGNHN-UHFFFAOYSA-N	-1	1	308.407	2.654	40	0		DFABMM
CCCc1n[n-]c(=S)n1NCc1ccc(OC)cc1OC	ZINC000007601379	425647682	/nfs/dbraw/zinc/64/76/82/425647682.db2.gz	GMSPANIPNPDEIJ-UHFFFAOYSA-N	-1	1	308.407	2.654	40	0		DFABMM
COc1ccccc1CNn1c(=S)[n-]nc1-c1ccncc1	ZINC000008496037	425669292	/nfs/dbraw/zinc/66/92/92/425669292.db2.gz	CBNLHCCVJJPKAJ-UHFFFAOYSA-N	-1	1	313.386	2.755	40	0		DFABMM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000078234671	426162395	/nfs/dbraw/zinc/16/23/95/426162395.db2.gz	QHGMMYWZZPQSIV-UHFFFAOYSA-N	-1	1	322.361	2.609	40	0		DFABMM
Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1C1CCCCC1	ZINC000008078403	398369673	/nfs/dbraw/zinc/36/96/73/398369673.db2.gz	WRSZHYMPAJLUOJ-ZROIWOOFSA-N	-1	1	303.431	2.955	40	0		DFABMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)CC(=O)N2	ZINC000004944164	181176988	/nfs/dbraw/zinc/17/69/88/181176988.db2.gz	SGKJJVGHYCOQNG-LLVKDONJSA-N	-1	1	315.398	2.746	40	0		DFABMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)C1=Cc2ccccc2OC1	ZINC000085877634	192538882	/nfs/dbraw/zinc/53/88/82/192538882.db2.gz	MPIDFWKIFYAAMX-ZDUSSCGKSA-N	-1	1	314.341	2.546	40	0		DFABMM
COc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C)cc1	ZINC000006270316	181325205	/nfs/dbraw/zinc/32/52/05/181325205.db2.gz	RMIXSFOYAQUCAY-UHFFFAOYSA-N	-1	1	307.371	2.813	40	0		DFABMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)C(F)(F)Cl)CC1	ZINC000195570600	399187619	/nfs/dbraw/zinc/18/76/19/399187619.db2.gz	IMPJYZNHOKXFBD-UHFFFAOYSA-N	-1	1	317.719	2.645	40	0		DFABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3=NCCO3)cc2)cc1	ZINC000016310563	182039364	/nfs/dbraw/zinc/03/93/64/182039364.db2.gz	JCAIOZZYCGBAIJ-UHFFFAOYSA-N	-1	1	316.382	2.573	40	0		DFABMM
COc1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)ccc1F	ZINC000016780636	182060920	/nfs/dbraw/zinc/06/09/20/182060920.db2.gz	NQRFCUJDDKMVMQ-UHFFFAOYSA-N	-1	1	323.345	2.838	40	0		DFABMM
O=C(NC1CCCCCC1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937179	182167029	/nfs/dbraw/zinc/16/70/29/182167029.db2.gz	ZRZFRJUPKGHLDY-UHFFFAOYSA-N	-1	1	311.385	2.890	40	0		DFABMM
O=C([O-])C1CCN(Cc2cc(Br)cs2)CC1	ZINC000038539959	183001607	/nfs/dbraw/zinc/00/16/07/183001607.db2.gz	UXGQJZPGMQMXSH-UHFFFAOYSA-N	-1	1	304.209	2.807	40	0		DFABMM
O=c1[nH][n-]c2c1[C@H](c1ccccc1)C[C@@](O)(c1ccccc1)C2	ZINC000103404991	284912749	/nfs/dbraw/zinc/91/27/49/284912749.db2.gz	VJDMUHOTLRKWKR-WDYCEAGBSA-N	-1	1	306.365	2.554	40	0		DFABMM
Cc1nn(C2CCCC2)c(C)c1C([O-])=C1C(=O)CCCC1=O	ZINC000103619370	257121716	/nfs/dbraw/zinc/12/17/16/257121716.db2.gz	ALCWZTHHYDUMGI-UHFFFAOYSA-N	-1	1	302.374	2.736	40	0		DFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000007053815	257218447	/nfs/dbraw/zinc/21/84/47/257218447.db2.gz	YJAIDMCCPAEKEJ-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
Fc1ccc(NCc2n[n-]c(=S)n2C[C@H]2CCCO2)cc1	ZINC000000421258	425560436	/nfs/dbraw/zinc/56/04/36/425560436.db2.gz	QZWPEILBFSIVMV-GFCCVEGCSA-N	-1	1	308.382	2.871	40	0		DFABMM
CC1=NN(C(=O)c2ccccc2[O-])[C@](O)(c2ccc(F)cc2)C1	ZINC000000982333	425571887	/nfs/dbraw/zinc/57/18/87/425571887.db2.gz	LDGPIQZVJYVQPS-QGZVFWFLSA-N	-1	1	314.316	2.598	40	0		DFABMM
COc1c(Cl)cc(Cl)cc1CNn1cn[n-]c1=S	ZINC000008469579	425668833	/nfs/dbraw/zinc/66/88/33/425668833.db2.gz	FFZQSHBKQHRAQC-UHFFFAOYSA-N	-1	1	305.190	3.000	40	0		DFABMM
CCc1nc(SCC(=O)Nc2ccccc2F)[n-]c(=O)c1C	ZINC000035289539	425843888	/nfs/dbraw/zinc/84/38/88/425843888.db2.gz	JLBXQTCJXKQVFE-UHFFFAOYSA-N	-1	1	321.377	2.511	40	0		DFABMM
O=C1NC(=O)C(c2c[nH]c3cc(Br)ccc23)=C1[O-]	ZINC000071257757	425984105	/nfs/dbraw/zinc/98/41/05/425984105.db2.gz	AMVVPIJNCQXVIE-UHFFFAOYSA-N	-1	1	307.103	2.696	40	0		DFABMM
COc1ccc([C@H]2OC3=Nc4ccccc4NC3=C2[O-])cc1OC	ZINC000104239933	425961599	/nfs/dbraw/zinc/96/15/99/425961599.db2.gz	HDGIXWOCASFWDK-DOTOQJQBSA-N	-1	1	324.336	2.869	40	0		DFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1cccs1)C2	ZINC000072336784	426016002	/nfs/dbraw/zinc/01/60/02/426016002.db2.gz	HJTKKVNHNFIRBI-UHFFFAOYSA-N	-1	1	324.409	2.864	40	0		DFABMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C1CC1)C1CC1	ZINC000081959274	192345724	/nfs/dbraw/zinc/34/57/24/192345724.db2.gz	CMVGNWMIISFNQG-UHFFFAOYSA-N	-1	1	317.433	2.542	40	0		DFABMM
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2S(=O)(=O)[N-]c1ccccc1	ZINC000004706533	181140339	/nfs/dbraw/zinc/14/03/39/181140339.db2.gz	SUNRZRFCJHTXTD-WOSRLPQWSA-N	-1	1	307.415	2.822	40	0		DFABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1	ZINC000022528238	182325127	/nfs/dbraw/zinc/32/51/27/182325127.db2.gz	FVAXNEGQMWJCJE-UHFFFAOYSA-N	-1	1	324.789	2.548	40	0		DFABMM
COc1cc[n-]c(=NNC(=O)c2occc2-c2ccccc2)n1	ZINC000083984396	542505286	/nfs/dbraw/zinc/50/52/86/542505286.db2.gz	GSRHXWPXWZMLQR-UHFFFAOYSA-N	-1	1	310.313	2.502	40	0		DFABMM
COc1cc(C(F)(F)F)ccc1C([O-])=C1C(=O)CCCC1=O	ZINC000103619301	257121837	/nfs/dbraw/zinc/12/18/37/257121837.db2.gz	RJIRWVOYWFBRRX-UHFFFAOYSA-N	-1	1	314.259	2.835	40	0		DFABMM
C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000408815967	257226589	/nfs/dbraw/zinc/22/65/89/257226589.db2.gz	RYZPKCMZAWHMMN-YGRLFVJLSA-N	-1	1	301.342	2.807	40	0		DFABMM
Cc1nnc(SC(=Cc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1	ZINC000000574196	398345900	/nfs/dbraw/zinc/34/59/00/398345900.db2.gz	IZFQEIDJOUNSGT-IZZDOVSWSA-N	-1	1	320.330	2.548	40	0		DFABMM
Cc1nc(SC(=Cc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000000574196	398345906	/nfs/dbraw/zinc/34/59/06/398345906.db2.gz	IZFQEIDJOUNSGT-IZZDOVSWSA-N	-1	1	320.330	2.548	40	0		DFABMM
O=C(C1CCCC1)N1CCc2nc(-c3ccccc3)[n-]c(=O)c2C1	ZINC000004382686	181104145	/nfs/dbraw/zinc/10/41/45/181104145.db2.gz	LPRWTGOJTNYUTD-UHFFFAOYSA-N	-1	1	323.396	2.512	40	0		DFABMM
CCc1cc(=O)[n-]c(SCCOc2cccc(OC)c2)n1	ZINC000004945285	181177530	/nfs/dbraw/zinc/17/75/30/181177530.db2.gz	OJZCZMWXONZWOA-UHFFFAOYSA-N	-1	1	306.387	2.512	40	0		DFABMM
CCc1c(C)nc(SCC(=O)c2ccc(F)cc2)[n-]c1=O	ZINC000005021627	181191922	/nfs/dbraw/zinc/19/19/22/181191922.db2.gz	YHRLWCIURVLNNR-UHFFFAOYSA-N	-1	1	306.362	2.755	40	0		DFABMM
CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1	ZINC000024257370	182377961	/nfs/dbraw/zinc/37/79/61/182377961.db2.gz	UZXHJDRQRWADGY-UHFFFAOYSA-N	-1	1	319.382	2.836	40	0		DFABMM
O=c1[nH][n-]c2c1[C@@H](c1ccccc1)C[C@](O)(c1ccccc1)C2	ZINC000101392639	296386281	/nfs/dbraw/zinc/38/62/81/296386281.db2.gz	VJDMUHOTLRKWKR-HHXXYDBFSA-N	-1	1	306.365	2.554	40	0		DFABMM
CC(C)c1ccc(Cc2c([O-])nc3n(c2=O)CCS3)cc1	ZINC000010382070	425702152	/nfs/dbraw/zinc/70/21/52/425702152.db2.gz	MEBGPFHNZQPZIZ-UHFFFAOYSA-N	-1	1	302.399	2.769	40	0		DFABMM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000011337398	425708301	/nfs/dbraw/zinc/70/83/01/425708301.db2.gz	UBSDWKFAFFLEQH-UHFFFAOYSA-N	-1	1	319.382	2.973	40	0		DFABMM
COc1ccc(-c2n[n-]c(=S)n2C[C@H]2CCCO2)cc1OC	ZINC000013535284	425754451	/nfs/dbraw/zinc/75/44/51/425754451.db2.gz	OOFPFQBCGDQISZ-LLVKDONJSA-N	-1	1	321.402	2.804	40	0		DFABMM
CCc1cc(=O)[n-]c(SCc2nc3ccccc3nc2C)n1	ZINC000195077693	426499567	/nfs/dbraw/zinc/49/95/67/426499567.db2.gz	UHNHVAZTCAMKIY-UHFFFAOYSA-N	-1	1	312.398	2.876	40	0		DFABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000032585481	333416796	/nfs/dbraw/zinc/41/67/96/333416796.db2.gz	COPFQRMZESCCIX-UHFFFAOYSA-N	-1	1	311.334	2.644	40	0		DFABMM
Fc1ccc(CNn2c(=S)[n-]nc2-c2ccncc2)cc1	ZINC000007601790	425647105	/nfs/dbraw/zinc/64/71/05/425647105.db2.gz	VBEIFEUUNWMANN-UHFFFAOYSA-N	-1	1	301.350	2.885	40	0		DFABMM
Cc1cc(=O)[n-]c(-n2nc(-c3ccc(Cl)cc3)cc2N)n1	ZINC000085398319	426251542	/nfs/dbraw/zinc/25/15/42/426251542.db2.gz	UBZMTVNIZDGKSW-UHFFFAOYSA-N	-1	1	301.737	2.579	40	0		DFABMM
Cc1cc2nc([C@H](NCc3cccnc3)C(C)C)cc(=O)n2[n-]1	ZINC000100217716	426481593	/nfs/dbraw/zinc/48/15/93/426481593.db2.gz	DDJXRFWDVOVHOP-QGZVFWFLSA-N	-1	1	311.389	2.625	40	0		DFABMM
CC1(C)COc2ccc(C=C3SC(=O)[N-]C3=O)cc2OC1	ZINC000225370122	281298728	/nfs/dbraw/zinc/29/87/28/281298728.db2.gz	JKLVHCQSCYSEGZ-WUXMJOGZSA-N	-1	1	305.355	2.808	40	0		DFABMM
O=C1[N-]C(=S)SC1=Cc1ccc2c(c1[N+](=O)[O-])OCO2	ZINC000033907947	398547222	/nfs/dbraw/zinc/54/72/22/398547222.db2.gz	SJVJWFLOGIQWQJ-XVNBXDOJSA-N	-1	1	310.312	2.653	40	0		DFABMM
Fc1ccccc1CNn1c(=S)[n-]nc1-c1ccncc1	ZINC000007602072	181478411	/nfs/dbraw/zinc/47/84/11/181478411.db2.gz	FUCRABGCDMDLJL-UHFFFAOYSA-N	-1	1	301.350	2.885	40	0		DFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000024255980	182378212	/nfs/dbraw/zinc/37/82/12/182378212.db2.gz	BDYAGENZUYZAAJ-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(C)c1	ZINC000084101472	542506192	/nfs/dbraw/zinc/50/61/92/542506192.db2.gz	QSYMSXVIHUQOAV-UHFFFAOYSA-N	-1	1	311.334	2.649	40	0		DFABMM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1	ZINC000225606238	257120852	/nfs/dbraw/zinc/12/08/52/257120852.db2.gz	XMMRDVWAEOSRGS-UEEZHKSASA-N	-1	1	300.383	2.814	40	0		DFABMM
CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000582107	425569527	/nfs/dbraw/zinc/56/95/27/425569527.db2.gz	JXBNKVSCQLZKGQ-UHFFFAOYSA-N	-1	1	319.382	2.973	40	0		DFABMM
COc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OC	ZINC000007601125	425646950	/nfs/dbraw/zinc/64/69/50/425646950.db2.gz	ZTYJHYUVAJZMRO-UHFFFAOYSA-N	-1	1	314.798	2.663	40	0		DFABMM
CCOc1c(Cl)cc(CNn2cn[n-]c2=S)cc1OC	ZINC000008253403	425664768	/nfs/dbraw/zinc/66/47/68/425664768.db2.gz	GZQRWANLIWXCOK-UHFFFAOYSA-N	-1	1	314.798	2.745	40	0		DFABMM
CCOc1cc(CNn2cn[n-]c2=S)cc(Cl)c1OC	ZINC000008253700	425664874	/nfs/dbraw/zinc/66/48/74/425664874.db2.gz	BGLMBGQLNIYMCR-UHFFFAOYSA-N	-1	1	314.798	2.745	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C	ZINC000103645498	425953457	/nfs/dbraw/zinc/95/34/57/425953457.db2.gz	PZFVMLFYFSWYFF-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
Cc1cc2nc([C@@H](NCc3cccnc3)C(C)C)cc(=O)n2[n-]1	ZINC000100217719	426481673	/nfs/dbraw/zinc/48/16/73/426481673.db2.gz	DDJXRFWDVOVHOP-KRWDZBQOSA-N	-1	1	311.389	2.625	40	0		DFABMM
Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1	ZINC000223315104	426588248	/nfs/dbraw/zinc/58/82/48/426588248.db2.gz	KQMGZFOQMSKFCZ-UHFFFAOYSA-N	-1	1	318.354	2.539	40	0		DFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1F	ZINC000032586097	333416811	/nfs/dbraw/zinc/41/68/11/333416811.db2.gz	WPPXJSGPMBIRIK-UHFFFAOYSA-N	-1	1	323.345	2.838	40	0		DFABMM
COc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-]	ZINC000008222604	398371425	/nfs/dbraw/zinc/37/14/25/398371425.db2.gz	MESOUGARVUTPAH-DTORHVGOSA-N	-1	1	315.822	2.839	40	0		DFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1	ZINC000074928424	191388199	/nfs/dbraw/zinc/38/81/99/191388199.db2.gz	HYUKSOYSGKISKS-UHFFFAOYSA-N	-1	1	323.345	2.722	40	0		DFABMM
NC1=N[P@]([O-])(Oc2ccccc2)=NC(=Nc2ccccc2)N1	ZINC000017023717	182068193	/nfs/dbraw/zinc/06/81/93/182068193.db2.gz	YDNJQICWYDZXJX-QFIPXVFZSA-N	-1	1	315.273	2.800	40	0		DFABMM
O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937217	182166998	/nfs/dbraw/zinc/16/69/98/182166998.db2.gz	URNHQXGZTRWIHN-UHFFFAOYSA-N	-1	1	309.300	2.828	40	0		DFABMM
O=C([O-])[C@H]1CCCN(Cc2cc(Br)cs2)C1	ZINC000038539957	183001695	/nfs/dbraw/zinc/00/16/95/183001695.db2.gz	YODQQCVLEOMHPF-QMMMGPOBSA-N	-1	1	304.209	2.807	40	0		DFABMM
O=C([O-])c1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1	ZINC000408582663	257230023	/nfs/dbraw/zinc/23/00/23/257230023.db2.gz	OQHFFJFYDNEFCF-UHFFFAOYSA-N	-1	1	312.354	2.857	40	0		DFABMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1C(F)F	ZINC000408545122	257230091	/nfs/dbraw/zinc/23/00/91/257230091.db2.gz	PKZKHZSVEGQOES-UHFFFAOYSA-N	-1	1	311.313	2.851	40	0		DFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000000582515	425569254	/nfs/dbraw/zinc/56/92/54/425569254.db2.gz	NBIMFTNPONDWPT-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COc1ccc([C@@H]2OC3=Nc4ccccc4NC3=C2[O-])cc1OC	ZINC000001588554	425583774	/nfs/dbraw/zinc/58/37/74/425583774.db2.gz	HDGIXWOCASFWDK-WBVHZDCISA-N	-1	1	324.336	2.869	40	0		DFABMM
COc1ccccc1-c1n[n-]c(=S)n1NCc1cccn1C	ZINC000007602000	425647040	/nfs/dbraw/zinc/64/70/40/425647040.db2.gz	KMXVTKKKSGZNEO-UHFFFAOYSA-N	-1	1	315.402	2.698	40	0		DFABMM
CCCc1[nH]c2nn(-c3ccc(F)cc3)c(=O)c-2c([O-])c1Cl	ZINC000008021113	425657508	/nfs/dbraw/zinc/65/75/08/425657508.db2.gz	IVFPIGPWOLFBJX-UHFFFAOYSA-N	-1	1	321.739	2.752	40	0		DFABMM
CCCc1[nH]c2nn(-c3ccc(F)cc3)c([O-])c2c(=O)c1Cl	ZINC000008021113	425657509	/nfs/dbraw/zinc/65/75/09/425657509.db2.gz	IVFPIGPWOLFBJX-UHFFFAOYSA-N	-1	1	321.739	2.752	40	0		DFABMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1	ZINC000011175588	425706992	/nfs/dbraw/zinc/70/69/92/425706992.db2.gz	ZDWIHMCYFQHIFC-UHFFFAOYSA-N	-1	1	318.354	2.539	40	0		DFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C	ZINC000011337862	425708534	/nfs/dbraw/zinc/70/85/34/425708534.db2.gz	KPRGIDQSMGHGLL-UHFFFAOYSA-N	-1	1	319.382	2.891	40	0		DFABMM
COc1ccc(C[C@H]2COc3cc([O-])cc(O)c3C2=O)cc1	ZINC000013327497	425753210	/nfs/dbraw/zinc/75/32/10/425753210.db2.gz	IERGURVELWCYAW-NSHDSACASA-N	-1	1	300.310	2.540	40	0	biogenic,in-vitro	DFABMM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000078234576	426161910	/nfs/dbraw/zinc/16/19/10/426161910.db2.gz	FUYCEZGRGAVQEN-UHFFFAOYSA-N	-1	1	318.398	2.779	40	0		DFABMM
CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C1=CCCCC1	ZINC000195573639	426538229	/nfs/dbraw/zinc/53/82/29/426538229.db2.gz	MBSPKAZXRQTBHZ-UHFFFAOYSA-N	-1	1	312.366	2.636	40	0		DFABMM
Cc1cnc([N-]c2nccc([C@H]3CCCCN3CCO)n2)s1	ZINC000257226419	427317432	/nfs/dbraw/zinc/31/74/32/427317432.db2.gz	FKOHVHFDCCDJRU-CYBMUJFWSA-N	-1	1	319.434	2.504	40	0		DFABMM
O=C([O-])[C@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1	ZINC000225606270	398349794	/nfs/dbraw/zinc/34/97/94/398349794.db2.gz	XMMRDVWAEOSRGS-WAZAZEMKSA-N	-1	1	300.383	2.814	40	0		DFABMM
Cc1cc(Cl)ccc1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000253392479	186303119	/nfs/dbraw/zinc/30/31/19/186303119.db2.gz	BZAMNSZFUQYTOL-UYRXBGFRSA-N	-1	1	300.749	2.556	40	0		DFABMM
C[C@H](NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)c1ccccc1	ZINC000019937192	182167474	/nfs/dbraw/zinc/16/74/74/182167474.db2.gz	HVZWLSXJGMCGPD-ZDUSSCGKSA-N	-1	1	319.364	2.928	40	0		DFABMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C	ZINC000408612715	257229384	/nfs/dbraw/zinc/22/93/84/257229384.db2.gz	YJPQTEPKVNTKMY-UHFFFAOYSA-N	-1	1	304.371	2.754	40	0		DFABMM
CC(C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-]	ZINC000001560636	425582769	/nfs/dbraw/zinc/58/27/69/425582769.db2.gz	BGAXRZWTGLDGQJ-UHFFFAOYSA-N	-1	1	307.733	2.792	40	0		DFABMM
C[C@@H](O)c1ccc(-c2ccc(CNn3cn[n-]c3=S)o2)cc1	ZINC000008535232	425670198	/nfs/dbraw/zinc/67/01/98/425670198.db2.gz	YWAQBHURSBRLTM-SNVBAGLBSA-N	-1	1	316.386	2.998	40	0		DFABMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000007051996	425634851	/nfs/dbraw/zinc/63/48/51/425634851.db2.gz	FYERYVDFAJYHGU-UHFFFAOYSA-N	-1	1	305.355	2.833	40	0		DFABMM
O=C([O-])c1c[nH]c2cc(OCc3ccc(F)cc3)ccc2c1=O	ZINC000027711502	425818562	/nfs/dbraw/zinc/81/85/62/425818562.db2.gz	VMWWDRIJFYUEFO-UHFFFAOYSA-N	-1	1	313.284	2.944	40	0		DFABMM
O=C(O)c1c[n-]c2cc(OCc3ccc(F)cc3)ccc2c1=O	ZINC000027711502	425818564	/nfs/dbraw/zinc/81/85/64/425818564.db2.gz	VMWWDRIJFYUEFO-UHFFFAOYSA-N	-1	1	313.284	2.944	40	0		DFABMM
Nc1cc(=O)[n-]c(SCn2c3ccccc3sc2=S)n1	ZINC000036612542	425846056	/nfs/dbraw/zinc/84/60/56/425846056.db2.gz	AGKKLDCUBRLRPN-UHFFFAOYSA-N	-1	1	322.440	2.848	40	0		DFABMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)C1=Cc2ccccc2OC1	ZINC000085877637	426254642	/nfs/dbraw/zinc/25/46/42/426254642.db2.gz	MPIDFWKIFYAAMX-CYBMUJFWSA-N	-1	1	314.341	2.546	40	0		DFABMM