smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=CNCCO	ZINC000005829797	181287551	/nfs/dbraw/zinc/28/75/51/181287551.db2.gz	QIKNPYPUXAVMKF-BENRWUELSA-N	-1	1	323.418	0.586	50	10		DCCAMM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000006024840	181306822	/nfs/dbraw/zinc/30/68/22/181306822.db2.gz	FSNREAKUYXRHHT-UHFFFAOYSA-N	-1	1	305.315	0.300	50	10		DCCAMM
Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-]	ZINC000017121445	182076059	/nfs/dbraw/zinc/07/60/59/182076059.db2.gz	FJEYJLRBJGEXEK-UHFFFAOYSA-N	-1	1	306.303	0.730	50	10		DCCAMM
Nc1ccccc1NC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000017889042	182087484	/nfs/dbraw/zinc/08/74/84/182087484.db2.gz	YEUQVTGTHSFPDH-VQHVLOKHSA-N	-1	1	302.359	0.970	50	10		DCCAMM
O=C(Cn1nnn(-c2ccccc2)c1=O)c1ccc([O-])c(O)c1	ZINC000031764910	415184818	/nfs/dbraw/zinc/18/48/18/415184818.db2.gz	JRDVVBQXOMYYIG-UHFFFAOYSA-N	-1	1	312.285	0.723	50	10		DCCAMM
CN1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000006493839	181345915	/nfs/dbraw/zinc/34/59/15/181345915.db2.gz	SCESYZFIYUJLAB-TWGQIWQCSA-N	-1	1	319.342	0.262	50	10		DCCAMM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000016944478	182065414	/nfs/dbraw/zinc/06/54/14/182065414.db2.gz	INVVCNQDGNDUID-UHFFFAOYSA-N	-1	1	307.331	0.531	50	10		DCCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNCc1cccnc1	ZINC000020358368	182211005	/nfs/dbraw/zinc/21/10/05/182211005.db2.gz	UWQTXNMCGBWQAB-DHZHZOJOSA-N	-1	1	302.359	0.461	50	10		DCCAMM
Cc1cc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)n[nH]1	ZINC000028966376	280539817	/nfs/dbraw/zinc/53/98/17/280539817.db2.gz	SVQTVEIAXAWBCH-UITAMQMPSA-N	-1	1	307.379	0.913	50	10		DCCAMM
CCCCN1C(=O)C(=CNN2CCOCC2)C(=O)[N-]C1=S	ZINC000019996484	182175556	/nfs/dbraw/zinc/17/55/56/182175556.db2.gz	VYMHGIBMFASBGJ-KTKRTIGZSA-N	-1	1	312.395	0.591	50	10		DCCAMM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000000068381	395679742	/nfs/dbraw/zinc/67/97/42/395679742.db2.gz	YOCBBMOWIJDGJJ-UHFFFAOYSA-N	-1	1	322.342	0.627	50	10		DCCAMM
CCN1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000019997229	182175648	/nfs/dbraw/zinc/17/56/48/182175648.db2.gz	WSLUNCHZCHMHEP-CSKARUKUSA-N	-1	1	307.379	0.010	50	10		DCCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N[C@@H](C)CO	ZINC000008765479	395684857	/nfs/dbraw/zinc/68/48/57/395684857.db2.gz	MLYJCDMOWNRDCL-ZETCQYMHSA-N	-1	1	307.302	0.552	50	10	biogenic	DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNC(=S)NCc1ccccc1	ZINC000006565720	331496814	/nfs/dbraw/zinc/49/68/14/331496814.db2.gz	ZMWGXRRYVFPVEE-UHFFFAOYSA-N	-1	1	320.399	0.066	50	10		DCCAMM
CN1CCN(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)CC1	ZINC000206447982	568413935	/nfs/dbraw/zinc/41/39/35/568413935.db2.gz	OFMLDZDIGQKPNA-ACCUITESSA-N	-1	1	314.345	0.401	50	10		DCCAMM
CCOC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000017306754	182082201	/nfs/dbraw/zinc/08/22/01/182082201.db2.gz	IEUOMBJPQNBONI-UHFFFAOYSA-N	-1	1	319.342	0.690	50	10		DCCAMM
COc1cc(OC)c(C=C2C(=O)[N-]C(=S)NC2=O)c(OC)c1	ZINC000000136845	395679950	/nfs/dbraw/zinc/67/99/50/395679950.db2.gz	PFJBKNSBFMALPV-UHFFFAOYSA-N	-1	1	322.342	0.627	50	10		DCCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(Cl)cc1O	ZINC000000365670	395680254	/nfs/dbraw/zinc/68/02/54/395680254.db2.gz	QDUSBZPTGBZLKP-UHFFFAOYSA-N	-1	1	312.734	0.969	50	10		DCCAMM
O=c1ccc2cc(NC=C3C(=O)[N-]C(=S)NC3=O)ccc2o1	ZINC000009060711	395685170	/nfs/dbraw/zinc/68/51/70/395685170.db2.gz	SDAIIFIOJQNOJM-UHFFFAOYSA-N	-1	1	315.310	0.620	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)o1	ZINC000001407193	395680752	/nfs/dbraw/zinc/68/07/52/395680752.db2.gz	IALJAVYFZGHJHM-UHFFFAOYSA-N	-1	1	307.331	0.031	50	10		DCCAMM
CN1C(=O)NC(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000033039575	395716118	/nfs/dbraw/zinc/71/61/18/395716118.db2.gz	RGCRUNJXMOLRQP-POHAHGRESA-N	-1	1	304.258	0.446	50	10		DCCAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000207254563	545936819	/nfs/dbraw/zinc/93/68/19/545936819.db2.gz	MFFPEGFJBWIOEQ-AXFHLTTASA-N	-1	1	323.736	0.923	50	10		DCCAMM
CC[C@H](C)N1C(=O)C(=CNC[C@H]2CCCO2)C(=O)[N-]C1=S	ZINC000020267467	182201800	/nfs/dbraw/zinc/20/18/00/182201800.db2.gz	CHLNUKPEYHOJNV-BMNILSKHSA-N	-1	1	311.407	0.681	50	10		DCCAMM
Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000058218936	184089943	/nfs/dbraw/zinc/08/99/43/184089943.db2.gz	WFMOKDGPBZTIHO-UHFFFAOYSA-N	-1	1	310.335	0.750	50	10		DCCAMM
CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000000460719	395680385	/nfs/dbraw/zinc/68/03/85/395680385.db2.gz	WEYACZAGLDWWKX-UHFFFAOYSA-N	-1	1	304.327	0.916	50	10		DCCAMM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000006493601	181345979	/nfs/dbraw/zinc/34/59/79/181345979.db2.gz	ABSBCLCMXJFPCA-UHFFFAOYSA-N	-1	1	305.315	0.300	50	10		DCCAMM
Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000006694298	181371016	/nfs/dbraw/zinc/37/10/16/181371016.db2.gz	RQTFUSLXSYGBML-UHFFFAOYSA-N	-1	1	306.303	0.730	50	10		DCCAMM
CN(C)C(=O)c1cn(C2CN(Cc3cccc(F)c3[O-])C2)nn1	ZINC000581810564	760255006	/nfs/dbraw/zinc/25/50/06/760255006.db2.gz	AHPHKBDBTGBCAK-UHFFFAOYSA-N	-1	1	319.340	0.882	50	10		DCCAMM
CCCCN1C(=O)C(=CNN2CCOCC2)C(=O)[N-]C1=S	ZINC000006783070	181387648	/nfs/dbraw/zinc/38/76/48/181387648.db2.gz	VYMHGIBMFASBGJ-MDZDMXLPSA-N	-1	1	312.395	0.591	50	10		DCCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N1CCOCC1	ZINC000009418376	395685253	/nfs/dbraw/zinc/68/52/53/395685253.db2.gz	FJPXJGNPYMRECR-UHFFFAOYSA-N	-1	1	319.313	0.914	50	10		DCCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1O	ZINC000000106245	395679801	/nfs/dbraw/zinc/67/98/01/395679801.db2.gz	PHWRKQAINYWMHT-UHFFFAOYSA-N	-1	1	308.315	0.324	50	10		DCCAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000004613358	181129949	/nfs/dbraw/zinc/12/99/49/181129949.db2.gz	MFFPEGFJBWIOEQ-DCAQKATOSA-N	-1	1	323.736	0.923	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)cc1	ZINC000000275620	415124825	/nfs/dbraw/zinc/12/48/25/415124825.db2.gz	QYFGHVAUPSAOJU-UHFFFAOYSA-N	-1	1	317.370	0.438	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc2c(cc1Cl)OCO2	ZINC000000432702	415124421	/nfs/dbraw/zinc/12/44/21/415124421.db2.gz	GODVXNYWVFKCJX-UHFFFAOYSA-N	-1	1	310.718	0.983	50	10		DCCAMM
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	415131126	/nfs/dbraw/zinc/13/11/26/415131126.db2.gz	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	1	319.292	0.412	50	10		DCCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	415131134	/nfs/dbraw/zinc/13/11/34/415131134.db2.gz	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	1	319.292	0.412	50	10		DCCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	415131143	/nfs/dbraw/zinc/13/11/43/415131143.db2.gz	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	1	319.292	0.412	50	10		DCCAMM
CC[C@@H](C)N1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)[N-]C1=S	ZINC000020267462	182202060	/nfs/dbraw/zinc/20/20/60/182202060.db2.gz	CHLNUKPEYHOJNV-PCYIOHOOSA-N	-1	1	311.407	0.681	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(F)c([N+](=O)[O-])c1	ZINC000017149781	182076837	/nfs/dbraw/zinc/07/68/37/182076837.db2.gz	XFKSRAPWPMWOEW-UHFFFAOYSA-N	-1	1	310.266	0.561	50	10		DCCAMM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(C)C2=O)cc1	ZINC000004819866	181156522	/nfs/dbraw/zinc/15/65/22/181156522.db2.gz	WGXPJSXOZKPMJP-YRNVUSSQSA-N	-1	1	318.358	0.814	50	10		DCCAMM
CC[C@@H](C)N1C(=O)/C(=C/NN2CCCCC2)C(=O)[N-]C1=S	ZINC000009287364	395685134	/nfs/dbraw/zinc/68/51/34/395685134.db2.gz	CNQMQQVRALSQAR-OYVNLZQHSA-N	-1	1	310.423	0.903	50	10		DCCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)Nn1cnnc1	ZINC000009303235	395685345	/nfs/dbraw/zinc/68/53/45/395685345.db2.gz	AGWRCVZWHUJJCR-UHFFFAOYSA-N	-1	1	316.273	0.417	50	10		DCCAMM
CCOc1ccc(C(=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O	ZINC000002972874	395682010	/nfs/dbraw/zinc/68/20/10/395682010.db2.gz	BXDREMQKOWTEFA-UHFFFAOYSA-N	-1	1	304.258	0.533	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000005729694	181277917	/nfs/dbraw/zinc/27/79/17/181277917.db2.gz	XYPRCRSNSODVKA-UHFFFAOYSA-N	-1	1	314.370	0.715	50	10		DCCAMM
COc1cc(NC=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1	ZINC000004271606	181090580	/nfs/dbraw/zinc/09/05/80/181090580.db2.gz	OPJDYSDZHIMKCU-UHFFFAOYSA-N	-1	1	307.331	0.531	50	10		DCCAMM
O=C1[N-]C(=S)N(Cc2ccco2)C(=O)C1=CN1CCOCC1	ZINC000004918743	181172900	/nfs/dbraw/zinc/17/29/00/181172900.db2.gz	PMFYRYWCAJUGNW-LUAWRHEFSA-N	-1	1	321.358	0.239	50	10		DCCAMM
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000005277064	181225535	/nfs/dbraw/zinc/22/55/35/181225535.db2.gz	GSWIVUQFJFXKPO-UHFFFAOYSA-N	-1	1	306.303	0.730	50	10		DCCAMM
CC(C)N1C(=O)C(=CNCc2cccnc2)C(=O)[N-]C1=S	ZINC000005625174	181264704	/nfs/dbraw/zinc/26/47/04/181264704.db2.gz	JBKMBONTSLHIMP-DHZHZOJOSA-N	-1	1	304.375	0.707	50	10		DCCAMM
COc1cc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)ccc1O	ZINC000005961387	181301666	/nfs/dbraw/zinc/30/16/66/181301666.db2.gz	AGHDDYJNUGRNGZ-UITAMQMPSA-N	-1	1	300.278	0.720	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNC12CC3CC(CC(C3)C1)C2	ZINC000006492860	296359315	/nfs/dbraw/zinc/35/93/15/296359315.db2.gz	YIHYSPMXRMAMEJ-UHFFFAOYSA-N	-1	1	305.403	0.960	50	10		DCCAMM
O=C1c2c(O)cc([O-])cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O	ZINC000100037633	948009512	/nfs/dbraw/zinc/00/95/12/948009512.db2.gz	KJXSIXMJHKAJOD-LSDHHAIUSA-N	-1	1	320.253	0.892	50	10	endogenous,in-man	DCCAMM
COCCNC(=O)Cc1c(C)c2ccc([O-])c(O)c2oc1=O	ZINC000004089734	181072142	/nfs/dbraw/zinc/07/21/42/181072142.db2.gz	UAINRCCGENDTJO-UHFFFAOYSA-N	-1	1	307.302	0.818	50	10	biogenic	DCCAMM
COc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000006493632	181345910	/nfs/dbraw/zinc/34/59/10/181345910.db2.gz	CVXKVKQLBPHELD-UHFFFAOYSA-N	-1	1	307.331	0.531	50	10		DCCAMM
COc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)OCO2	ZINC000016264682	277391098	/nfs/dbraw/zinc/39/10/98/277391098.db2.gz	SDNCHYPNNGARSH-BAQGIRSFSA-N	-1	1	320.326	0.680	50	10		DCCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1O	ZINC000000483623	286216584	/nfs/dbraw/zinc/21/65/84/286216584.db2.gz	AYKIVTJQKWWPIS-UHFFFAOYSA-N	-1	1	312.734	0.969	50	10		DCCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNCCCn1ccnc1	ZINC000001854805	395681225	/nfs/dbraw/zinc/68/12/25/395681225.db2.gz	IUMHPCKEFSJQGK-DHZHZOJOSA-N	-1	1	319.390	0.152	50	10		DCCAMM
O=C([O-])Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21	ZINC000004123711	181076723	/nfs/dbraw/zinc/07/67/23/181076723.db2.gz	JLIBCNOIXXQBPG-UHFFFAOYSA-N	-1	1	313.269	0.475	50	10		DCCAMM
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000004724053	181142566	/nfs/dbraw/zinc/14/25/66/181142566.db2.gz	QJKCVHKUCLLFAA-CSKARUKUSA-N	-1	1	321.358	0.373	50	10		DCCAMM
CCN1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000102539923	1176011084	/nfs/dbraw/zinc/01/10/84/1176011084.db2.gz	WSLUNCHZCHMHEP-NTMALXAHSA-N	-1	1	307.379	0.421	50	10		DCCAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	ZINC000195816588	748874882	/nfs/dbraw/zinc/87/48/82/748874882.db2.gz	MFFPEGFJBWIOEQ-MXWKQRLJSA-N	-1	1	323.736	0.923	50	10		DCCAMM
CC[C@@H](C)N1C(=O)C(=CNC[C@H]2CCCO2)C(=O)[N-]C1=S	ZINC000005817698	395682909	/nfs/dbraw/zinc/68/29/09/395682909.db2.gz	CHLNUKPEYHOJNV-DBUSQJFRSA-N	-1	1	311.407	0.681	50	10		DCCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(OC)c1	ZINC000004548723	181123123	/nfs/dbraw/zinc/12/31/23/181123123.db2.gz	QDSGREYPSYTJGB-UXBLZVDNSA-N	-1	1	306.343	0.960	50	10		DCCAMM
CN1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)[O-])C1=O	ZINC000004834147	181159162	/nfs/dbraw/zinc/15/91/62/181159162.db2.gz	KZRVLVXZBMDMJT-TWGQIWQCSA-N	-1	1	304.258	0.242	50	10		DCCAMM
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000005248787	181221039	/nfs/dbraw/zinc/22/10/39/181221039.db2.gz	KXEGMPVYNXYULW-UHFFFAOYSA-N	-1	1	322.302	0.430	50	10		DCCAMM
C[C@H](Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000002982282	395682153	/nfs/dbraw/zinc/68/21/53/395682153.db2.gz	NXMCSWQBQUDDGD-ZETCQYMHSA-N	-1	1	304.258	0.288	50	10		DCCAMM
CCCCN1C(=O)/C(=C/NN2CCCCC2)C(=O)[N-]C1=S	ZINC000036082038	1171433240	/nfs/dbraw/zinc/43/32/40/1171433240.db2.gz	VHKLVZUDBLHBSQ-ZHACJKMWSA-N	-1	1	310.423	0.904	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1F	ZINC000017149788	182077089	/nfs/dbraw/zinc/07/70/89/182077089.db2.gz	UWEAXGGYEBWLKS-UHFFFAOYSA-N	-1	1	310.266	0.561	50	10		DCCAMM
O=C(CN1CCOCC1)Nc1cc(=O)n(-c2ccccc2)[n-]1	ZINC000019796871	182150776	/nfs/dbraw/zinc/15/07/76/182150776.db2.gz	SPXNGZHGAAVTLS-UHFFFAOYSA-N	-1	1	302.334	0.185	50	10		DCCAMM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000018161806	182094998	/nfs/dbraw/zinc/09/49/98/182094998.db2.gz	DIVALUBBUKZDPM-UHFFFAOYSA-N	-1	1	319.342	0.690	50	10		DCCAMM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000009009693	395685032	/nfs/dbraw/zinc/68/50/32/395685032.db2.gz	QYGYWWSIFBHNSG-UHFFFAOYSA-N	-1	1	304.331	0.472	50	10		DCCAMM
CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000002903893	395682181	/nfs/dbraw/zinc/68/21/81/395682181.db2.gz	OSONSPGJTZRWJG-UXBLZVDNSA-N	-1	1	304.258	0.242	50	10		DCCAMM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1O	ZINC000005067066	295027216	/nfs/dbraw/zinc/02/72/16/295027216.db2.gz	VPEALICDLDXGOA-YWEYNIOJSA-N	-1	1	321.245	0.401	50	10		DCCAMM
Cc1cc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)n[nH]1	ZINC000255006398	658142457	/nfs/dbraw/zinc/14/24/57/658142457.db2.gz	SVQTVEIAXAWBCH-WEVVVXLNSA-N	-1	1	307.379	0.913	50	10		DCCAMM
C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000003863424	181050305	/nfs/dbraw/zinc/05/03/05/181050305.db2.gz	NXMCSWQBQUDDGD-SSDOTTSWSA-N	-1	1	304.258	0.288	50	10		DCCAMM
COc1cc2c(cc1C=C1C(=O)[N-]C(=S)NC1=O)OCO2	ZINC000000465389	277391501	/nfs/dbraw/zinc/39/15/01/277391501.db2.gz	CNDXPUJTLSBQGA-UHFFFAOYSA-N	-1	1	306.299	0.338	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006495092	280281655	/nfs/dbraw/zinc/28/16/55/280281655.db2.gz	RNRHUITXNUBAQW-UHFFFAOYSA-N	-1	1	321.270	0.238	50	10		DCCAMM
COc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000006381648	181335874	/nfs/dbraw/zinc/33/58/74/181335874.db2.gz	VHRPFYUWAYCLLP-UHFFFAOYSA-N	-1	1	322.302	0.430	50	10		DCCAMM
COc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c(OC)c1	ZINC000016944780	182065071	/nfs/dbraw/zinc/06/50/71/182065071.db2.gz	RNURZVDGZQCYBD-UHFFFAOYSA-N	-1	1	307.331	0.531	50	10		DCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(F)cc1[N+](=O)[O-]	ZINC000017149753	182076845	/nfs/dbraw/zinc/07/68/45/182076845.db2.gz	KMDJAECRPKETHF-UHFFFAOYSA-N	-1	1	310.266	0.561	50	10		DCCAMM
CC[C@H](C)N1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)[N-]C1=S	ZINC000020267464	182201950	/nfs/dbraw/zinc/20/19/50/182201950.db2.gz	CHLNUKPEYHOJNV-CWIHFQEBSA-N	-1	1	311.407	0.681	50	10		DCCAMM
O=C(CSc1nc[nH]n1)Nc1cc(=O)n(-c2ccccc2)[n-]1	ZINC000008333568	395684450	/nfs/dbraw/zinc/68/44/50/395684450.db2.gz	IYQXIXJRNAHKDH-UHFFFAOYSA-N	-1	1	316.346	0.763	50	10		DCCAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000018323263	304171838	/nfs/dbraw/zinc/17/18/38/304171838.db2.gz	MFFPEGFJBWIOEQ-VWYCJHECSA-N	-1	1	323.736	0.923	50	10		DCCAMM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)NC2=O)ccc1Cl	ZINC000005344233	304226036	/nfs/dbraw/zinc/22/60/36/304226036.db2.gz	VDBLVHYAGLPLQC-UHFFFAOYSA-N	-1	1	309.665	0.700	50	10		DCCAMM
CN1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C1=O	ZINC000004704230	181139782	/nfs/dbraw/zinc/13/97/82/181139782.db2.gz	RGCRUNJXMOLRQP-UXBLZVDNSA-N	-1	1	304.258	0.242	50	10		DCCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC[C@@H](C)O	ZINC000008764278	395684952	/nfs/dbraw/zinc/68/49/52/395684952.db2.gz	HIRWVULQFHSGLU-SSDOTTSWSA-N	-1	1	307.302	0.552	50	10	biogenic	DCCAMM
CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)[N-]C1=S	ZINC000000573799	277005369	/nfs/dbraw/zinc/00/53/69/277005369.db2.gz	WKUKINRANJCNID-RMKNXTFCSA-N	-1	1	304.327	0.714	50	10		DCCAMM
O=C([O-])CC1(CNC=C2C(=O)NC(=O)NC2=O)CCCCC1	ZINC000020623726	182239817	/nfs/dbraw/zinc/23/98/17/182239817.db2.gz	MBVVEJAONZHXKC-UHFFFAOYSA-N	-1	1	309.322	0.251	50	10		DCCAMM