smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)CCc3c(C)c4ccc([O-])cc4oc3=O)CC2)cc1	ZINC000009418955	536679452	/nfs/dbraw/zinc/67/94/52/536679452.db2.gz	LQTFQSNHSLMBJF-UHFFFAOYSA-N	-1	1	422.481	3.097	50	10		HGCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000015746208	558751433	/nfs/dbraw/zinc/75/14/33/558751433.db2.gz	DSHGGRRHDCDVMV-YBEGLDIGSA-N	-1	1	421.521	3.260	50	10		HGCAMM
COc1cc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000016195091	559078476	/nfs/dbraw/zinc/07/84/76/559078476.db2.gz	FHTZFOLPNCAGRD-OIXVIMQBSA-N	-1	1	424.196	3.077	50	10		HGCAMM
COc1ccc(CCN2C(=O)C(=Cc3ccsc3)C(=O)[N-]C2=S)cc1OC	ZINC000006078752	568455284	/nfs/dbraw/zinc/45/52/84/568455284.db2.gz	DLCWVPVFHVFADU-ZROIWOOFSA-N	-1	1	402.497	3.046	50	10		HGCAMM
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc21	ZINC000065021061	569154245	/nfs/dbraw/zinc/15/42/45/569154245.db2.gz	WXUAGDUEACZBHY-UHFFFAOYSA-N	-1	1	416.499	3.496	50	10		HGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	ZINC000009165742	132228602	/nfs/dbraw/zinc/22/86/02/132228602.db2.gz	WAVCZCZIHBICOQ-BOFQVRIASA-N	-1	1	418.478	3.119	50	10		HGCAMM
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000095531939	559087223	/nfs/dbraw/zinc/08/72/23/559087223.db2.gz	KDYSIWUHBUPDMJ-NTUHNPAUSA-N	-1	1	417.761	3.469	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000005518564	560603225	/nfs/dbraw/zinc/60/32/25/560603225.db2.gz	QDQLCXMRRYWGON-PXLXIMEGSA-N	-1	1	418.497	3.494	50	10		HGCAMM
O=C1C[C@@H](c2ccco2)c2c(cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc2-3)O1	ZINC000096221287	568705118	/nfs/dbraw/zinc/70/51/18/568705118.db2.gz	IEJALJNGIFBPMB-JTQLQIEISA-N	-1	1	422.345	3.316	50	10	biogenic	HGCAMM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)ccc1[O-]	ZINC000016498545	558794876	/nfs/dbraw/zinc/79/48/76/558794876.db2.gz	PLSWQTRMRILVAE-UHFFFAOYSA-N	-1	1	405.292	3.264	50	10		HGCAMM
Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(O)c(O)c2)CC(=O)N3)cc1	ZINC000021784056	558949302	/nfs/dbraw/zinc/94/93/02/558949302.db2.gz	ZPWAYOTYWMMCCA-CQSZACIVSA-N	-1	1	409.467	3.256	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000100257862	559133494	/nfs/dbraw/zinc/13/34/94/559133494.db2.gz	KRXOQSCHUWIUHG-MOSHPQCFSA-N	-1	1	412.515	3.272	50	10		HGCAMM
Cc1ccccc1N=Nc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(C)c1	ZINC000005005009	559226867	/nfs/dbraw/zinc/22/68/67/559226867.db2.gz	PECKBIGYSZIWQN-GHVJWSGMSA-N	-1	1	413.459	3.205	50	10		HGCAMM
Cc1cc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)ccc1Cl	ZINC000005102364	559246608	/nfs/dbraw/zinc/24/66/08/559246608.db2.gz	JUNPIYJDYXWKBI-UHFFFAOYSA-N	-1	1	416.886	3.021	50	10		HGCAMM
Cn1nccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096114383	568693831	/nfs/dbraw/zinc/69/38/31/568693831.db2.gz	WVDWHQWISUOYIC-LBPRGKRZSA-N	-1	1	404.378	3.046	50	10	biogenic	HGCAMM
NC(=O)c1cc(C2=NNC(=Nc3cccc(Br)c3)SC2)ccc1[O-]	ZINC000015453100	568915973	/nfs/dbraw/zinc/91/59/73/568915973.db2.gz	SHDRGZYOSMZBRW-UHFFFAOYSA-N	-1	1	405.277	3.173	50	10		HGCAMM
Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000015732621	568982810	/nfs/dbraw/zinc/98/28/10/568982810.db2.gz	IBKWJSXMFWEMQG-UHFFFAOYSA-N	-1	1	415.862	3.370	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1	ZINC000001202118	557239794	/nfs/dbraw/zinc/23/97/94/557239794.db2.gz	IKMAPAOHJCZNPZ-UHFFFAOYSA-N	-1	1	409.200	3.461	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1	ZINC000001202118	557239795	/nfs/dbraw/zinc/23/97/95/557239795.db2.gz	IKMAPAOHJCZNPZ-UHFFFAOYSA-N	-1	1	409.200	3.461	50	10		HGCAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1	ZINC000016626486	558797019	/nfs/dbraw/zinc/79/70/19/558797019.db2.gz	YRUNTKGSWGZZFE-UHFFFAOYSA-N	-1	1	420.512	3.174	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000004690848	558904768	/nfs/dbraw/zinc/90/47/68/558904768.db2.gz	UPYSLXATVHDXLP-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000018205246	560784305	/nfs/dbraw/zinc/78/43/05/560784305.db2.gz	DMBNRBIUHRYQFY-LPGQDOADSA-N	-1	1	416.437	3.056	50	10		HGCAMM
O=c1oc2c(ccc([O-])c2CNc2ccc(CN3CCOCC3)cc2)c2c1CCC2	ZINC000020622866	558394447	/nfs/dbraw/zinc/39/44/47/558394447.db2.gz	TXYLFHKOKQZXON-UHFFFAOYSA-N	-1	1	406.482	3.432	50	10		HGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O	ZINC000016956348	558810108	/nfs/dbraw/zinc/81/01/08/558810108.db2.gz	USWMDMFBKOEGGC-XDPMZMSMSA-N	-1	1	422.441	3.379	50	10		HGCAMM
COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)c1C	ZINC000033286684	559043760	/nfs/dbraw/zinc/04/37/60/559043760.db2.gz	NLPJDHBFXMSZRR-YBEGLDIGSA-N	-1	1	411.483	3.286	50	10		HGCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000005477872	560594778	/nfs/dbraw/zinc/59/47/78/560594778.db2.gz	QUAKTCWWXPCWEA-XDHOZWIPSA-N	-1	1	401.491	3.479	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000005578406	560624976	/nfs/dbraw/zinc/62/49/76/560624976.db2.gz	WZTVEOSKGIGIOE-RCCKNPSSSA-N	-1	1	418.497	3.494	50	10		HGCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000001175990	560727620	/nfs/dbraw/zinc/72/76/20/560727620.db2.gz	QRCISJOJWBQDAV-UHFFFAOYSA-N	-1	1	418.808	3.206	50	10		HGCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000001175990	560727621	/nfs/dbraw/zinc/72/76/21/560727621.db2.gz	QRCISJOJWBQDAV-UHFFFAOYSA-N	-1	1	418.808	3.206	50	10		HGCAMM
O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000002748480	568806568	/nfs/dbraw/zinc/80/65/68/568806568.db2.gz	FKBQNOSRXGNLJM-UHFFFAOYSA-N	-1	1	420.277	3.051	50	10		HGCAMM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1C	ZINC000004819081	557602015	/nfs/dbraw/zinc/60/20/15/557602015.db2.gz	GAZMRAFDBJSSIQ-MOSHPQCFSA-N	-1	1	402.410	3.464	50	10		HGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O	ZINC000016156666	558774134	/nfs/dbraw/zinc/77/41/34/558774134.db2.gz	XNEPUFVOXNUGAD-FDIDWWNZSA-N	-1	1	422.441	3.379	50	10		HGCAMM
O=C1C[C@H](c2ccc(O)c(O)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784110	558949381	/nfs/dbraw/zinc/94/93/81/558949381.db2.gz	YQHAMBGSWLDDLD-GFCCVEGCSA-N	-1	1	413.430	3.087	50	10		HGCAMM
COc1ccccc1OCCn1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000017195834	560703501	/nfs/dbraw/zinc/70/35/01/560703501.db2.gz	DDWXJVVQXXUVKF-UHFFFAOYSA-N	-1	1	421.478	3.484	50	10		HGCAMM
COc1ccccc1OCCn1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000017195834	560703503	/nfs/dbraw/zinc/70/35/03/560703503.db2.gz	DDWXJVVQXXUVKF-UHFFFAOYSA-N	-1	1	421.478	3.484	50	10		HGCAMM
COc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000017195834	560703505	/nfs/dbraw/zinc/70/35/05/560703505.db2.gz	DDWXJVVQXXUVKF-UHFFFAOYSA-N	-1	1	421.478	3.484	50	10		HGCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1F	ZINC000001174916	560727636	/nfs/dbraw/zinc/72/76/36/560727636.db2.gz	ABGFAHVDZSYXLF-UHFFFAOYSA-N	-1	1	418.808	3.206	50	10		HGCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1F	ZINC000001174916	560727637	/nfs/dbraw/zinc/72/76/37/560727637.db2.gz	ABGFAHVDZSYXLF-UHFFFAOYSA-N	-1	1	418.808	3.206	50	10		HGCAMM
Cc1cc([O-])c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2oc(=O)cc(C)c12	ZINC000020898251	568649433	/nfs/dbraw/zinc/64/94/33/568649433.db2.gz	BAIHTOZGORIVGX-UHFFFAOYSA-N	-1	1	422.481	3.162	50	10		HGCAMM
Cn1cc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cn1	ZINC000096115579	568695188	/nfs/dbraw/zinc/69/51/88/568695188.db2.gz	FYNQLTFWPOMIQX-ZDUSSCGKSA-N	-1	1	404.378	3.046	50	10	biogenic	HGCAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1)N1CCCCC1	ZINC000006702710	557716164	/nfs/dbraw/zinc/71/61/64/557716164.db2.gz	RNQNTDHWORDZMC-UHFFFAOYSA-N	-1	1	403.460	3.234	50	10		HGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C	ZINC000005677884	558499210	/nfs/dbraw/zinc/49/92/10/558499210.db2.gz	RTHBJLXBAKUDJL-UNOMPAQXSA-N	-1	1	402.410	3.391	50	10		HGCAMM
N=C1/C(=C/c2ccc([O-])c(Br)c2)C(=O)N=C2SC(c3ccco3)=NN21	ZINC000015945502	558763460	/nfs/dbraw/zinc/76/34/60/558763460.db2.gz	MOUCBGQLTJMOOG-FCBMYGLWSA-N	-1	1	417.244	3.415	50	10		HGCAMM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000013654326	558851089	/nfs/dbraw/zinc/85/10/89/558851089.db2.gz	SGXNVUGBKOKTTH-ZWIPKHHJSA-N	-1	1	421.828	3.060	50	10		HGCAMM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000013654324	558851105	/nfs/dbraw/zinc/85/11/05/558851105.db2.gz	SGXNVUGBKOKTTH-HBZGRHIISA-N	-1	1	421.828	3.060	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000005647420	560636189	/nfs/dbraw/zinc/63/61/89/560636189.db2.gz	KRXOQSCHUWIUHG-DEDYPNTBSA-N	-1	1	412.515	3.272	50	10		HGCAMM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c(OC)c1	ZINC000018183345	560781963	/nfs/dbraw/zinc/78/19/63/560781963.db2.gz	RHUGHXVLXMDRDW-SSZFMOIBSA-N	-1	1	415.515	3.133	50	10		HGCAMM
COc1ccc(N2CCN(CCNc3cc(C(=O)[O-])c4ccccc4n3)CC2)cc1	ZINC000021715314	571315021	/nfs/dbraw/zinc/31/50/21/571315021.db2.gz	ZFTGROLZHVVWRH-UHFFFAOYSA-N	-1	1	406.486	3.176	50	10		HGCAMM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)o2)c(Br)c1	ZINC000001053428	557160925	/nfs/dbraw/zinc/16/09/25/557160925.db2.gz	WXESKYVVTORGIJ-XYOKQWHBSA-N	-1	1	405.273	3.274	50	10		HGCAMM
CCOc1cc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)ccc1OCCc1ccccc1	ZINC000004682591	558894517	/nfs/dbraw/zinc/89/45/17/558894517.db2.gz	BZIJPYXKVAFORO-AQTBWJFISA-N	-1	1	418.457	3.026	50	10		HGCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000100257871	559190344	/nfs/dbraw/zinc/19/03/44/559190344.db2.gz	WSSZSFBJFPMOGL-LDADJPATSA-N	-1	1	418.906	3.309	50	10		HGCAMM
Cc1c([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cnn1C	ZINC000096114996	568694697	/nfs/dbraw/zinc/69/46/97/568694697.db2.gz	HRXQMRZWBAAKBP-CYBMUJFWSA-N	-1	1	418.405	3.354	50	10	biogenic	HGCAMM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c1	ZINC000006294815	569038183	/nfs/dbraw/zinc/03/81/83/569038183.db2.gz	SQGHMBKKPADZJW-SSZFMOIBSA-N	-1	1	415.515	3.133	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	ZINC000000685046	557058324	/nfs/dbraw/zinc/05/83/24/557058324.db2.gz	URJHFCDXTBUMCG-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000005442693	557653785	/nfs/dbraw/zinc/65/37/85/557653785.db2.gz	DHQWQSFOKQPKMU-CPNJWEJPSA-N	-1	1	412.515	3.272	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000101350047	560793294	/nfs/dbraw/zinc/79/32/94/560793294.db2.gz	QDQLCXMRRYWGON-JCMHNJIXSA-N	-1	1	418.497	3.494	50	10		HGCAMM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)cc1	ZINC000006293795	569038094	/nfs/dbraw/zinc/03/80/94/569038094.db2.gz	UODTZNBRWIWFQH-QGOAFFKASA-N	-1	1	412.515	3.075	50	10		HGCAMM
Cc1cccn2c(=O)c(C=C3SC(=S)[N-]C3=O)c(N(C)Cc3ccccc3)nc12	ZINC000016713624	558801997	/nfs/dbraw/zinc/80/19/97/558801997.db2.gz	PAIRFLGMCCOYDZ-WJDWOHSUSA-N	-1	1	422.535	3.128	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000004674077	558885076	/nfs/dbraw/zinc/88/50/76/558885076.db2.gz	SQJBIRKEXHDULJ-UHFFFAOYSA-N	-1	1	406.423	3.352	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000004674077	558885079	/nfs/dbraw/zinc/88/50/79/558885079.db2.gz	SQJBIRKEXHDULJ-UHFFFAOYSA-N	-1	1	406.423	3.352	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000004674077	558885083	/nfs/dbraw/zinc/88/50/83/558885083.db2.gz	SQJBIRKEXHDULJ-UHFFFAOYSA-N	-1	1	406.423	3.352	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000101350394	560793362	/nfs/dbraw/zinc/79/33/62/560793362.db2.gz	XSPHHJCBJOZEKZ-QNGOZBTKSA-N	-1	1	404.470	3.186	50	10		HGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1ccncc1)CC(=O)O2	ZINC000096114167	568693817	/nfs/dbraw/zinc/69/38/17/568693817.db2.gz	CIKNPMUSQDPKAK-CYBMUJFWSA-N	-1	1	417.373	3.413	50	10	biogenic	HGCAMM
COc1ccc(C(=O)Oc2cc(C=C3SC(=S)[N-]C3=O)ccc2OC)cc1	ZINC000015769528	568997343	/nfs/dbraw/zinc/99/73/43/568997343.db2.gz	MADFOFGRXZLDNA-YBEGLDIGSA-N	-1	1	401.465	3.412	50	10		HGCAMM
Cc1cccc(N2CCN(C(=O)Cc3c(C)c4ccc([O-])c(O)c4oc3=O)CC2)c1C	ZINC000006660887	132312698	/nfs/dbraw/zinc/31/26/98/132312698.db2.gz	GZLVLPZUDWWTLO-UHFFFAOYSA-N	-1	1	422.481	3.021	50	10		HGCAMM
CCCN1C(=O)C(=CNc2ccccc2C(=O)Nc2ccc(C)cc2)C(=O)[N-]C1=S	ZINC000013148106	558523323	/nfs/dbraw/zinc/52/33/23/558523323.db2.gz	RMIOILXDMBTAFT-LGMDPLHJSA-N	-1	1	422.510	3.196	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	ZINC000004672169	558886053	/nfs/dbraw/zinc/88/60/53/558886053.db2.gz	SDPAUUHGIMFUTG-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
O=C1C[C@H](c2ccc(O)c(O)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784102	558949354	/nfs/dbraw/zinc/94/93/54/558949354.db2.gz	ZMUARTVOFVBMHW-CYBMUJFWSA-N	-1	1	413.430	3.087	50	10		HGCAMM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000101057775	560767928	/nfs/dbraw/zinc/76/79/28/560767928.db2.gz	QTHGDONZKVGCNF-VWPQPMDRSA-N	-1	1	416.433	3.452	50	10		HGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	ZINC000102933567	560835744	/nfs/dbraw/zinc/83/57/44/560835744.db2.gz	WAVCZCZIHBICOQ-YPOUMIDOSA-N	-1	1	418.478	3.119	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000015769744	560856109	/nfs/dbraw/zinc/85/61/09/560856109.db2.gz	YUCGLPIRWPWFNJ-VGOFMYFVSA-N	-1	1	411.370	3.433	50	10		HGCAMM
Cn1cc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cn1	ZINC000096115580	568695324	/nfs/dbraw/zinc/69/53/24/568695324.db2.gz	FYNQLTFWPOMIQX-CYBMUJFWSA-N	-1	1	404.378	3.046	50	10	biogenic	HGCAMM
Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1-c1ccc(I)cc1	ZINC000001198324	568823000	/nfs/dbraw/zinc/82/30/00/568823000.db2.gz	KEMGIWCGQZDTFA-ZSOIEALJSA-N	-1	1	423.279	3.044	50	10		HGCAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc21	ZINC000035504623	569040801	/nfs/dbraw/zinc/04/08/01/569040801.db2.gz	UDKPLTGIGBCGDP-UHFFFAOYSA-N	-1	1	406.485	3.065	50	10		HGCAMM
Cc1ccc(C)c(NC(=O)CN2c3ccccc3C(=C3SC(=S)[N-]C3=O)C2=O)c1	ZINC000009971969	571293303	/nfs/dbraw/zinc/29/33/03/571293303.db2.gz	YQXJTGQIZJGVPG-ZCXUNETKSA-N	-1	1	423.519	3.148	50	10		HGCAMM
Cc1cc(C(=O)CSc2nc(N)cc(=O)[n-]2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000013637662	558554645	/nfs/dbraw/zinc/55/46/45/558554645.db2.gz	ZLEGCSIYXBXGFB-UHFFFAOYSA-N	-1	1	420.441	3.336	50	10		HGCAMM
COc1ccc(N2CCN(CCCn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1	ZINC000004113210	568944178	/nfs/dbraw/zinc/94/41/78/568944178.db2.gz	XHRHGDGNDWREOG-UHFFFAOYSA-N	-1	1	410.543	3.280	50	10		HGCAMM
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c1	ZINC000006640383	569078067	/nfs/dbraw/zinc/07/80/67/569078067.db2.gz	NNIMPBQGGZCXDB-RIYZIHGNSA-N	-1	1	403.437	3.009	50	10		HGCAMM
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)o2)c1	ZINC000002307224	132252184	/nfs/dbraw/zinc/25/21/84/132252184.db2.gz	UEQNTKJOTWXQRA-SFQUDFHCSA-N	-1	1	418.430	3.476	50	10		HGCAMM
CCOc1c(I)cc(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000015685784	558748945	/nfs/dbraw/zinc/74/89/45/558748945.db2.gz	YIPLDGVJPITVCS-POHAHGRESA-N	-1	1	421.281	3.187	50	10		HGCAMM
Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(O)c(O)c2)CC(=O)N3)c1	ZINC000021784060	558949334	/nfs/dbraw/zinc/94/93/34/558949334.db2.gz	WWMKAKGTRKQLMR-AWEZNQCLSA-N	-1	1	409.467	3.256	50	10		HGCAMM
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)cc1	ZINC000033333144	559063233	/nfs/dbraw/zinc/06/32/33/559063233.db2.gz	RXDGXQPIUIANEV-BOPFTXTBSA-N	-1	1	411.483	3.368	50	10		HGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1Cl	ZINC000005018931	559229052	/nfs/dbraw/zinc/22/90/52/559229052.db2.gz	DOIVDTQDSZJUNX-UHFFFAOYSA-N	-1	1	416.886	3.232	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000001185519	560727726	/nfs/dbraw/zinc/72/77/26/560727726.db2.gz	JADMVOCTKOGMSY-UHFFFAOYSA-N	-1	1	401.762	3.417	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000001185519	560727728	/nfs/dbraw/zinc/72/77/28/560727728.db2.gz	JADMVOCTKOGMSY-UHFFFAOYSA-N	-1	1	401.762	3.417	50	10		HGCAMM
COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1OCC(=O)[O-]	ZINC000217848324	568915892	/nfs/dbraw/zinc/91/58/92/568915892.db2.gz	DQUDZHHASPRDAF-UHFFFAOYSA-N	-1	1	421.365	3.408	50	10	biogenic	HGCAMM
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000017088812	558817598	/nfs/dbraw/zinc/81/75/98/558817598.db2.gz	HOJCHKNWXQHTGK-QPJJXVBHSA-N	-1	1	411.374	3.178	50	10		HGCAMM
O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S	ZINC000013550583	558843221	/nfs/dbraw/zinc/84/32/21/558843221.db2.gz	CJGNXYFCXBEPDQ-KRXBUXKQSA-N	-1	1	408.682	3.094	50	10		HGCAMM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101471654	560796795	/nfs/dbraw/zinc/79/67/95/560796795.db2.gz	SGXNVUGBKOKTTH-WBOGTDJTSA-N	-1	1	421.828	3.060	50	10		HGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1cccnc1)CC(=O)O2	ZINC000096114552	568694358	/nfs/dbraw/zinc/69/43/58/568694358.db2.gz	AWCSCIFTABHQHU-CYBMUJFWSA-N	-1	1	417.373	3.413	50	10	biogenic	HGCAMM
O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1cccc2ccccc21	ZINC000009456763	571260247	/nfs/dbraw/zinc/26/02/47/571260247.db2.gz	VPOWGMJPDIOOOU-LDADJPATSA-N	-1	1	420.469	3.223	50	10		HGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009169849	132336865	/nfs/dbraw/zinc/33/68/65/132336865.db2.gz	IQPDSBPMQLMZAL-BOFQVRIASA-N	-1	1	402.410	3.383	50	10		HGCAMM
Cc1cc(O)c(Br)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005729381	557671347	/nfs/dbraw/zinc/67/13/47/557671347.db2.gz	CAIDLJSEPBROOA-UHFFFAOYSA-N	-1	1	401.238	3.481	50	10		HGCAMM
CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)cc1	ZINC000002948287	557773867	/nfs/dbraw/zinc/77/38/67/557773867.db2.gz	AYICIPLTAULLBW-UHFFFAOYSA-N	-1	1	424.522	3.356	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(N)(=O)=O)cc1	ZINC000013566771	558541302	/nfs/dbraw/zinc/54/13/02/558541302.db2.gz	AEZHUITXCOFDET-YBEGLDIGSA-N	-1	1	404.879	3.014	50	10		HGCAMM
CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000004645827	558984872	/nfs/dbraw/zinc/98/48/72/558984872.db2.gz	GTPIYRGWRYARIV-XNTDXEJSSA-N	-1	1	410.455	3.328	50	10		HGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000033417552	559167718	/nfs/dbraw/zinc/16/77/18/559167718.db2.gz	OPGWHUKWAMGKGS-GEBKJHSDSA-N	-1	1	416.437	3.056	50	10		HGCAMM
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000017779661	560727366	/nfs/dbraw/zinc/72/73/66/560727366.db2.gz	QTHGDONZKVGCNF-SJBKTWHCSA-N	-1	1	416.433	3.452	50	10		HGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1ccncc1)CC(=O)O2	ZINC000096114166	568694054	/nfs/dbraw/zinc/69/40/54/568694054.db2.gz	CIKNPMUSQDPKAK-ZDUSSCGKSA-N	-1	1	417.373	3.413	50	10	biogenic	HGCAMM
Cc1c([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cnn1C	ZINC000096114995	568694711	/nfs/dbraw/zinc/69/47/11/568694711.db2.gz	HRXQMRZWBAAKBP-ZDUSSCGKSA-N	-1	1	418.405	3.354	50	10	biogenic	HGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000002775351	568807990	/nfs/dbraw/zinc/80/79/90/568807990.db2.gz	HNCWAUQNLLEXEY-UHFFFAOYSA-N	-1	1	416.886	3.150	50	10		HGCAMM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1ccccc1Cl	ZINC000006915804	569181079	/nfs/dbraw/zinc/18/10/79/569181079.db2.gz	RSFJKHZNNITDSO-UHFFFAOYSA-N	-1	1	401.835	3.062	50	10		HGCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Br)c(C)c1	ZINC000000660039	557042939	/nfs/dbraw/zinc/04/29/39/557042939.db2.gz	KVTSSFGPNUPSJM-UHFFFAOYSA-N	-1	1	418.316	3.079	50	10		HGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(F)c(Cl)c2)C1=O	ZINC000001176253	557227840	/nfs/dbraw/zinc/22/78/40/557227840.db2.gz	BBHWBMPTHWGEQY-GDNBJRDFSA-N	-1	1	412.808	3.140	50	10		HGCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OC	ZINC000001195391	557237709	/nfs/dbraw/zinc/23/77/09/557237709.db2.gz	CKGBQHDLJIFAMZ-POHAHGRESA-N	-1	1	421.281	3.187	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000014011058	558613280	/nfs/dbraw/zinc/61/32/80/558613280.db2.gz	PAEPGGWBQDADDM-WUXMJOGZSA-N	-1	1	417.761	3.469	50	10		HGCAMM
Cc1ccc(NC(=O)CN2c3ccccc3C(=C3SC(=S)[N-]C3=O)C2=O)c(C)c1	ZINC000016733578	558802442	/nfs/dbraw/zinc/80/24/42/558802442.db2.gz	LVCRJSROAPHSDG-ZCXUNETKSA-N	-1	1	423.519	3.148	50	10		HGCAMM
Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2	ZINC000021784069	558949349	/nfs/dbraw/zinc/94/93/49/558949349.db2.gz	NRRMKOWADFQDQY-AWEZNQCLSA-N	-1	1	409.467	3.256	50	10		HGCAMM
CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1ccc(Cl)cc1	ZINC000001220880	560727971	/nfs/dbraw/zinc/72/79/71/560727971.db2.gz	DEJKXFDJQNRBRL-UHFFFAOYSA-N	-1	1	416.886	3.232	50	10		HGCAMM
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)c1	ZINC000001160847	568775577	/nfs/dbraw/zinc/77/55/77/568775577.db2.gz	OINQKXMIFXEOIK-LDADJPATSA-N	-1	1	416.389	3.307	50	10		HGCAMM
Cc1c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F	ZINC000086053450	569010052	/nfs/dbraw/zinc/01/00/52/569010052.db2.gz	HRLYKFRCWSIEDB-BOPFTXTBSA-N	-1	1	407.470	3.394	50	10		HGCAMM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000015935198	569023108	/nfs/dbraw/zinc/02/31/08/569023108.db2.gz	UXPDAIRBPHPGNP-WMZJFQQLSA-N	-1	1	424.196	3.077	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc2ccccc2c1	ZINC000575442983	569028088	/nfs/dbraw/zinc/02/80/88/569028088.db2.gz	HDMHTCMUGZIYHI-UHFFFAOYSA-N	-1	1	418.474	3.342	50	10		HGCAMM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)cc1	ZINC000006740813	569106711	/nfs/dbraw/zinc/10/67/11/569106711.db2.gz	BTNOXTXNXLYKFU-NBVRZTHBSA-N	-1	1	400.548	3.405	50	10		HGCAMM
CC(C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000021885458	558453992	/nfs/dbraw/zinc/45/39/92/558453992.db2.gz	NDBRASQKFHMGFS-UHFFFAOYSA-N	-1	1	410.455	3.499	50	10		HGCAMM
O=C1[N-]C(=S)S/C1=C1\C(=O)Nc2c1cc(Br)cc2Br	ZINC000013777809	558592700	/nfs/dbraw/zinc/59/27/00/558592700.db2.gz	GQNOMVMLQLXHMS-VURMDHGXSA-N	-1	1	420.107	3.023	50	10		HGCAMM
COC(=O)c1ccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)o1	ZINC000014245172	558646341	/nfs/dbraw/zinc/64/63/41/558646341.db2.gz	OILXICTUYGUDEQ-NVNXTCNLSA-N	-1	1	405.453	3.143	50	10		HGCAMM
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc([O-])c(O)c1	ZINC000016756241	558805636	/nfs/dbraw/zinc/80/56/36/558805636.db2.gz	ARTJEFJRBGDBKX-UHFFFAOYSA-N	-1	1	408.439	3.368	50	10		HGCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000006600665	569069777	/nfs/dbraw/zinc/06/97/77/569069777.db2.gz	UPHXAAMGYWSSMT-LFIBNONCSA-N	-1	1	421.521	3.342	50	10		HGCAMM
COc1cccc(/C=C2\C(=O)[N-]C(=O)NC2=O)c1OCc1ccc(Cl)cc1Cl	ZINC000001175102	568821292	/nfs/dbraw/zinc/82/12/92/568821292.db2.gz	MUYIFADLGZQVKD-UHFFFAOYSA-N	-1	1	421.236	3.330	50	10		HGCAMM
COc1cccc(/C=C2/C(=O)[N-]C(=O)NC2=O)c1OCc1ccc(Cl)cc1Cl	ZINC000001175102	568821294	/nfs/dbraw/zinc/82/12/94/568821294.db2.gz	MUYIFADLGZQVKD-UHFFFAOYSA-N	-1	1	421.236	3.330	50	10		HGCAMM
CN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)[N-]C1=S	ZINC000005844068	568825520	/nfs/dbraw/zinc/82/55/20/568825520.db2.gz	SNDWOCOUFPWKAY-WJDWOHSUSA-N	-1	1	411.914	3.159	50	10		HGCAMM
Cc1[n-]n(-c2ccc3nnc(C)n3n2)c(=O)c1C=Nc1cc(Cl)cc(Cl)c1	ZINC000036357729	569150054	/nfs/dbraw/zinc/15/00/54/569150054.db2.gz	WUPMVQFWSOMWPA-RIYZIHGNSA-N	-1	1	402.245	3.458	50	10		HGCAMM
CCCCC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@@H](C)CC2	ZINC000040476948	519916868	/nfs/dbraw/zinc/91/68/68/519916868.db2.gz	KDTMKHAXLZJQHU-JTQLQIEISA-N	-1	1	405.545	3.073	50	10		HGCAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	ZINC000003832803	557499252	/nfs/dbraw/zinc/49/92/52/557499252.db2.gz	VPBYLYLGFWJTKS-UHFFFAOYSA-N	-1	1	420.446	3.221	50	10		HGCAMM
O=C([O-])COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000015822014	558754675	/nfs/dbraw/zinc/75/46/75/558754675.db2.gz	AANMGHKAEAZDHL-MDWZMJQESA-N	-1	1	416.842	3.475	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000018206437	558833400	/nfs/dbraw/zinc/83/34/00/558833400.db2.gz	VJRNMNSCQIRNGD-UHFFFAOYSA-N	-1	1	422.216	3.372	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000018206437	558833402	/nfs/dbraw/zinc/83/34/02/558833402.db2.gz	VJRNMNSCQIRNGD-UHFFFAOYSA-N	-1	1	422.216	3.372	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000018206437	558833404	/nfs/dbraw/zinc/83/34/04/558833404.db2.gz	VJRNMNSCQIRNGD-UHFFFAOYSA-N	-1	1	422.216	3.372	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000103883813	560844943	/nfs/dbraw/zinc/84/49/43/560844943.db2.gz	DHQWQSFOKQPKMU-UYRXBGFRSA-N	-1	1	412.515	3.272	50	10		HGCAMM
CSc1cccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)c1	ZINC000015732627	568982812	/nfs/dbraw/zinc/98/28/12/568982812.db2.gz	WUSYMVNSEBIQJN-UHFFFAOYSA-N	-1	1	413.484	3.130	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N1	ZINC000008874752	571130550	/nfs/dbraw/zinc/13/05/50/571130550.db2.gz	QEJHOTHVCMZHQT-UHFFFAOYSA-N	-1	1	421.236	3.201	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N1	ZINC000008874752	571130554	/nfs/dbraw/zinc/13/05/54/571130554.db2.gz	QEJHOTHVCMZHQT-UHFFFAOYSA-N	-1	1	421.236	3.201	50	10		HGCAMM
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc([O-])c(O)c1	ZINC000009010853	571210373	/nfs/dbraw/zinc/21/03/73/571210373.db2.gz	SYFCZJSYCQDQHD-UHFFFAOYSA-N	-1	1	408.435	3.424	50	10		HGCAMM
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O	ZINC000005007900	557624772	/nfs/dbraw/zinc/62/47/72/557624772.db2.gz	BXIGAWRFDMDLTL-UHFFFAOYSA-N	-1	1	422.462	3.162	50	10		HGCAMM
Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000020024849	558322052	/nfs/dbraw/zinc/32/20/52/558322052.db2.gz	XSQFPMLPMXKZOJ-VGOFMYFVSA-N	-1	1	401.806	3.378	50	10		HGCAMM
CC(=O)Oc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O	ZINC000012631649	558442113	/nfs/dbraw/zinc/44/21/13/558442113.db2.gz	SKCXBEBNJYIATC-SQFISAMPSA-N	-1	1	400.481	3.013	50	10		HGCAMM
Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(O)c1)CC(=O)N2	ZINC000021784073	558949414	/nfs/dbraw/zinc/94/94/14/558949414.db2.gz	NRRMKOWADFQDQY-CQSZACIVSA-N	-1	1	409.467	3.256	50	10		HGCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1	ZINC000009111572	132335995	/nfs/dbraw/zinc/33/59/95/132335995.db2.gz	KKKINKJXICYEEU-XSFVSMFZSA-N	-1	1	417.534	3.429	50	10		HGCAMM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000137520023	559280323	/nfs/dbraw/zinc/28/03/23/559280323.db2.gz	QTHGDONZKVGCNF-TUNNFDKTSA-N	-1	1	416.433	3.452	50	10		HGCAMM
CC(C)OC(=O)Cn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000005977108	568833428	/nfs/dbraw/zinc/83/34/28/568833428.db2.gz	VVPPSTWLJMCWTO-XDHOZWIPSA-N	-1	1	403.438	3.054	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000003668116	568867356	/nfs/dbraw/zinc/86/73/56/568867356.db2.gz	PXSABYMYBADMIU-UHFFFAOYSA-N	-1	1	414.355	3.050	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000003668116	568867357	/nfs/dbraw/zinc/86/73/57/568867357.db2.gz	PXSABYMYBADMIU-UHFFFAOYSA-N	-1	1	414.355	3.050	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000003668116	568867360	/nfs/dbraw/zinc/86/73/60/568867360.db2.gz	PXSABYMYBADMIU-UHFFFAOYSA-N	-1	1	414.355	3.050	50	10		HGCAMM
CC(C)(C)c1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=S)NC3=O)c2)cc1	ZINC000002948078	557773667	/nfs/dbraw/zinc/77/36/67/557773667.db2.gz	UYJGVLAOMHVDAI-UHFFFAOYSA-N	-1	1	424.522	3.356	50	10		HGCAMM
O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784099	558949298	/nfs/dbraw/zinc/94/92/98/558949298.db2.gz	ZMUARTVOFVBMHW-ZDUSSCGKSA-N	-1	1	413.430	3.087	50	10		HGCAMM
O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784106	558949323	/nfs/dbraw/zinc/94/93/23/558949323.db2.gz	YQHAMBGSWLDDLD-LBPRGKRZSA-N	-1	1	413.430	3.087	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1	ZINC000001185070	560727758	/nfs/dbraw/zinc/72/77/58/560727758.db2.gz	ALVVQWFMFSXROR-UHFFFAOYSA-N	-1	1	401.762	3.417	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1	ZINC000001185070	560727759	/nfs/dbraw/zinc/72/77/59/560727759.db2.gz	ALVVQWFMFSXROR-UHFFFAOYSA-N	-1	1	401.762	3.417	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000001176073	568821461	/nfs/dbraw/zinc/82/14/61/568821461.db2.gz	SEORMYKWHQATHD-UHFFFAOYSA-N	-1	1	414.446	3.200	50	10		HGCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1	ZINC000001853952	569056623	/nfs/dbraw/zinc/05/66/23/569056623.db2.gz	LLQOQBLAWNADDQ-HMMYKYKNSA-N	-1	1	405.523	3.088	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1	ZINC000002962787	557431644	/nfs/dbraw/zinc/43/16/44/557431644.db2.gz	PCUPLJZPAHSOBP-UHFFFAOYSA-N	-1	1	411.664	3.277	50	10		HGCAMM
COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C	ZINC000004711420	557585648	/nfs/dbraw/zinc/58/56/48/557585648.db2.gz	VSQFTVFFRDOCLJ-ZSOIEALJSA-N	-1	1	403.891	3.013	50	10		HGCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(C)=O	ZINC000015746269	560856122	/nfs/dbraw/zinc/85/61/22/560856122.db2.gz	KUOUMXXCYXPOCX-WDZFZDKYSA-N	-1	1	402.291	3.262	50	10		HGCAMM
Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)c(C)c1	ZINC000001168647	568783128	/nfs/dbraw/zinc/78/31/28/568783128.db2.gz	VWLBTIPRGHGANP-UHFFFAOYSA-N	-1	1	419.506	3.251	50	10		HGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O	ZINC000002208931	132249495	/nfs/dbraw/zinc/24/94/95/132249495.db2.gz	XNEPUFVOXNUGAD-PCJMVEANSA-N	-1	1	422.441	3.379	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccccc1C	ZINC000000685063	557058363	/nfs/dbraw/zinc/05/83/63/557058363.db2.gz	LNQWRSWODKEECL-UHFFFAOYSA-N	-1	1	416.886	3.150	50	10		HGCAMM
Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000001179136	557229291	/nfs/dbraw/zinc/22/92/91/557229291.db2.gz	COWXEGSMQJZIJB-UHFFFAOYSA-N	-1	1	415.243	3.086	50	10		HGCAMM
Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000001179136	557229294	/nfs/dbraw/zinc/22/92/94/557229294.db2.gz	COWXEGSMQJZIJB-UHFFFAOYSA-N	-1	1	415.243	3.086	50	10		HGCAMM
COCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C(=O)[N-]C1=S	ZINC000098086716	559064952	/nfs/dbraw/zinc/06/49/52/559064952.db2.gz	LZPHDAVLMKDASQ-PDGQHHTCSA-N	-1	1	412.511	3.148	50	10		HGCAMM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccc(Cl)cc1Cl	ZINC000000827855	568499740	/nfs/dbraw/zinc/49/97/40/568499740.db2.gz	HCBYTKLRYKBOOR-UHFFFAOYSA-N	-1	1	421.261	3.127	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000001169953	568787890	/nfs/dbraw/zinc/78/78/90/568787890.db2.gz	OMBLLOPEMBTSNV-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000001178426	568821492	/nfs/dbraw/zinc/82/14/92/568821492.db2.gz	FJZHOZBTEBGNKS-UHFFFAOYSA-N	-1	1	421.236	3.330	50	10		HGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000001178426	568821495	/nfs/dbraw/zinc/82/14/95/568821495.db2.gz	FJZHOZBTEBGNKS-UHFFFAOYSA-N	-1	1	421.236	3.330	50	10		HGCAMM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1ccc(Cl)cc1	ZINC000009641394	571275892	/nfs/dbraw/zinc/27/58/92/571275892.db2.gz	ZFJDKBKGMDBILH-UHFFFAOYSA-N	-1	1	401.835	3.062	50	10		HGCAMM
CCCCC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@H](C)CC2	ZINC000040476947	519916167	/nfs/dbraw/zinc/91/61/67/519916167.db2.gz	KDTMKHAXLZJQHU-SNVBAGLBSA-N	-1	1	405.545	3.073	50	10		HGCAMM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000100031374	559113460	/nfs/dbraw/zinc/11/34/60/559113460.db2.gz	IQDMZUKRJXVFQP-LDADJPATSA-N	-1	1	418.906	3.309	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000033926080	560539859	/nfs/dbraw/zinc/53/98/59/560539859.db2.gz	YUCGLPIRWPWFNJ-AUWJEWJLSA-N	-1	1	411.370	3.433	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1nc(-c2ccc(-c3ccccc3)cc2)cs1	ZINC000017191988	560703595	/nfs/dbraw/zinc/70/35/95/560703595.db2.gz	ATMMWSGLDSTKFL-UHFFFAOYSA-N	-1	1	406.492	3.304	50	10		HGCAMM
COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@H+]2CCC[C@@H]2C(=O)[O-])c1=O	ZINC000004026114	568878086	/nfs/dbraw/zinc/87/80/86/568878086.db2.gz	XPOQYTGPGIRHPZ-OAHLLOKOSA-N	-1	1	411.410	3.349	50	10	biogenic	HGCAMM
CC(C)CN(CC(C)C)c1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-]	ZINC000004180848	557525587	/nfs/dbraw/zinc/52/55/87/557525587.db2.gz	BWEKPQUKWLNUKX-UHFFFAOYSA-N	-1	1	404.492	3.468	50	10		HGCAMM
CC(C)CN(CC(C)C)c1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-]	ZINC000004180848	557525591	/nfs/dbraw/zinc/52/55/91/557525591.db2.gz	BWEKPQUKWLNUKX-UHFFFAOYSA-N	-1	1	404.492	3.468	50	10		HGCAMM
CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-]	ZINC000004180848	557525593	/nfs/dbraw/zinc/52/55/93/557525593.db2.gz	BWEKPQUKWLNUKX-UHFFFAOYSA-N	-1	1	404.492	3.468	50	10		HGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1cccnc1)CC(=O)O2	ZINC000096114551	568694269	/nfs/dbraw/zinc/69/42/69/568694269.db2.gz	AWCSCIFTABHQHU-ZDUSSCGKSA-N	-1	1	417.373	3.413	50	10	biogenic	HGCAMM
O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCCCC1	ZINC000012754350	568942287	/nfs/dbraw/zinc/94/22/87/568942287.db2.gz	TWSHKQAYVNAIOW-UHFFFAOYSA-N	-1	1	419.459	3.117	50	10		HGCAMM
Cc1cccc(OCCOc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000002993530	557780024	/nfs/dbraw/zinc/78/00/24/557780024.db2.gz	RIXWTBUZCUKTHV-UHFFFAOYSA-N	-1	1	416.886	3.021	50	10		HGCAMM
Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(O)c(O)c2)CC(=O)N3)cc1	ZINC000021784052	558949295	/nfs/dbraw/zinc/94/92/95/558949295.db2.gz	ZPWAYOTYWMMCCA-AWEZNQCLSA-N	-1	1	409.467	3.256	50	10		HGCAMM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101471651	560796822	/nfs/dbraw/zinc/79/68/22/560796822.db2.gz	SGXNVUGBKOKTTH-LAPSENCUSA-N	-1	1	421.828	3.060	50	10		HGCAMM
Cc1ccc(C)c(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)c1	ZINC000000634483	568456585	/nfs/dbraw/zinc/45/65/85/568456585.db2.gz	OETQGAFCCKWHFO-UHFFFAOYSA-N	-1	1	419.506	3.251	50	10		HGCAMM
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cc(Br)ccc1[O-])C2O	ZINC000019327821	569419716	/nfs/dbraw/zinc/41/97/16/569419716.db2.gz	PXNDBXDNRPACCW-UHFFFAOYSA-N	-1	1	409.368	3.444	50	10		HGCAMM
Cc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)c(Cl)c1	ZINC000009641687	571275879	/nfs/dbraw/zinc/27/58/79/571275879.db2.gz	BCWXWDYQOJMTAM-UHFFFAOYSA-N	-1	1	415.862	3.370	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000000820101	557091991	/nfs/dbraw/zinc/09/19/91/557091991.db2.gz	UNBQBOVBSBBRPG-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
O=C([O-])CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)SC1=S	ZINC000019204008	558847577	/nfs/dbraw/zinc/84/75/77/558847577.db2.gz	PVHVMTYHMSBZFL-KRXBUXKQSA-N	-1	1	408.682	3.094	50	10		HGCAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1Br	ZINC000095939634	568661566	/nfs/dbraw/zinc/66/15/66/568661566.db2.gz	KMVAFYNYMLKIMY-UHFFFAOYSA-N	-1	1	400.250	3.167	50	10		HGCAMM
Cn1nccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096114384	568694078	/nfs/dbraw/zinc/69/40/78/568694078.db2.gz	WVDWHQWISUOYIC-GFCCVEGCSA-N	-1	1	404.378	3.046	50	10	biogenic	HGCAMM
O=C1[N-]C(=O)/C(=C/c2ccccc2Oc2ccc(Br)cc2F)C(=O)N1	ZINC000004050223	568880494	/nfs/dbraw/zinc/88/04/94/568880494.db2.gz	TWOSVNVVRBYLFE-UHFFFAOYSA-N	-1	1	405.179	3.130	50	10		HGCAMM
O=C1[N-]C(=O)/C(=C\c2ccccc2Oc2ccc(Br)cc2F)C(=O)N1	ZINC000004050223	568880495	/nfs/dbraw/zinc/88/04/95/568880495.db2.gz	TWOSVNVVRBYLFE-UHFFFAOYSA-N	-1	1	405.179	3.130	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000001439579	568965508	/nfs/dbraw/zinc/96/55/08/568965508.db2.gz	ACSFSZJBMRRQRI-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(C)C	ZINC000027531999	569367131	/nfs/dbraw/zinc/36/71/31/569367131.db2.gz	OQFNZONALZMRKL-UHFFFAOYSA-N	-1	1	413.293	3.247	50	10		HGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(C)C	ZINC000027531999	569367133	/nfs/dbraw/zinc/36/71/33/569367133.db2.gz	OQFNZONALZMRKL-UHFFFAOYSA-N	-1	1	413.293	3.247	50	10		HGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(C)C	ZINC000027531999	569367134	/nfs/dbraw/zinc/36/71/34/569367134.db2.gz	OQFNZONALZMRKL-UHFFFAOYSA-N	-1	1	413.293	3.247	50	10		HGCAMM
Cc1cc(Br)c(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1C	ZINC000000678646	557054576	/nfs/dbraw/zinc/05/45/76/557054576.db2.gz	UCBDKCUPSUQVSS-UHFFFAOYSA-N	-1	1	405.273	3.240	50	10		HGCAMM
Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000002948000	557773629	/nfs/dbraw/zinc/77/36/29/557773629.db2.gz	WZQICSWNGCEJJN-UHFFFAOYSA-N	-1	1	416.886	3.021	50	10		HGCAMM
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc([O-])c(O)c1	ZINC000019809842	558286731	/nfs/dbraw/zinc/28/67/31/558286731.db2.gz	HXPGYEHKAQMAFW-UHFFFAOYSA-N	-1	1	408.439	3.368	50	10		HGCAMM
Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(O)c(O)c2)CC(=O)N3)c1	ZINC000021784065	558949292	/nfs/dbraw/zinc/94/92/92/558949292.db2.gz	WWMKAKGTRKQLMR-CQSZACIVSA-N	-1	1	409.467	3.256	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000005428620	560586186	/nfs/dbraw/zinc/58/61/86/560586186.db2.gz	RPVRLMUGKJHVIU-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000018038401	560773470	/nfs/dbraw/zinc/77/34/70/560773470.db2.gz	XSPHHJCBJOZEKZ-RCCKNPSSSA-N	-1	1	404.470	3.186	50	10		HGCAMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(I)o1	ZINC000015015835	560852230	/nfs/dbraw/zinc/85/22/30/560852230.db2.gz	IPXKXXYGQIQREK-DJWKRKHSSA-N	-1	1	416.059	3.136	50	10		HGCAMM
Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000002977329	568832634	/nfs/dbraw/zinc/83/26/34/568832634.db2.gz	SNCCQJMXYQLTLI-UHFFFAOYSA-N	-1	1	414.845	3.164	50	10		HGCAMM
Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000002977329	568832636	/nfs/dbraw/zinc/83/26/36/568832636.db2.gz	SNCCQJMXYQLTLI-UHFFFAOYSA-N	-1	1	414.845	3.164	50	10		HGCAMM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)c1	ZINC000018271130	132466172	/nfs/dbraw/zinc/46/61/72/132466172.db2.gz	WAWZALGVVBGSPT-KMTKGMGQSA-N	-1	1	418.409	3.084	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12	ZINC000000666475	557045641	/nfs/dbraw/zinc/04/56/41/557045641.db2.gz	XORMKDCPHUCJDK-UHFFFAOYSA-N	-1	1	413.861	3.396	50	10		HGCAMM
O=C([O-])COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000017195562	558825399	/nfs/dbraw/zinc/82/53/99/558825399.db2.gz	AANMGHKAEAZDHL-JYRVWZFOSA-N	-1	1	416.842	3.475	50	10		HGCAMM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000008535886	571075220	/nfs/dbraw/zinc/07/52/20/571075220.db2.gz	WNARGAQFNQAKOO-ZHZULCJRSA-N	-1	1	408.433	3.017	50	10		HGCAMM
COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(C)cc4)c(=O)[n-]3)CC2)cc1	ZINC000009614620	536702641	/nfs/dbraw/zinc/70/26/41/536702641.db2.gz	KLXQRZMTNUOKLV-UHFFFAOYSA-N	-1	1	404.514	3.313	50	10		HGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000001059876	568765800	/nfs/dbraw/zinc/76/58/00/568765800.db2.gz	MVEGLUKSGMQTHL-UHFFFAOYSA-N	-1	1	407.278	3.487	50	10		HGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1cccc(F)c1	ZINC000004599699	557571197	/nfs/dbraw/zinc/57/11/97/557571197.db2.gz	HAKUHTJWOZXTEV-MHWRWJLKSA-N	-1	1	414.458	3.060	50	10		HGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1	ZINC000004614528	557572573	/nfs/dbraw/zinc/57/25/73/557572573.db2.gz	VGTUBRHEJZEILZ-MHWRWJLKSA-N	-1	1	414.458	3.060	50	10		HGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(Cl)cc1	ZINC000004694537	557581974	/nfs/dbraw/zinc/58/19/74/557581974.db2.gz	YHSPGSGLPBLRAQ-UHFFFAOYSA-N	-1	1	416.886	3.232	50	10		HGCAMM
CC(C)(C)c1ccc(OCCOc2ccccc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000002948099	557773863	/nfs/dbraw/zinc/77/38/63/557773863.db2.gz	MZSKSSWQJTXBOB-UHFFFAOYSA-N	-1	1	424.522	3.356	50	10		HGCAMM
CCOc1cc(C=C2SC(N)=NC2=O)c(Br)c(Br)c1[O-]	ZINC000206478394	560559564	/nfs/dbraw/zinc/55/95/64/560559564.db2.gz	IRNCDBMRYYTIMK-DAXSKMNVSA-N	-1	1	422.098	3.245	50	10		HGCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1	ZINC000101064004	560768933	/nfs/dbraw/zinc/76/89/33/560768933.db2.gz	LLQOQBLAWNADDQ-HKWRFOASSA-N	-1	1	405.523	3.088	50	10		HGCAMM
O=C1C[C@H](c2ccco2)c2c(cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc2-3)O1	ZINC000096221290	568705300	/nfs/dbraw/zinc/70/53/00/568705300.db2.gz	IEJALJNGIFBPMB-SNVBAGLBSA-N	-1	1	422.345	3.316	50	10	biogenic	HGCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCCc1c[nH]c2ccc(F)cc12	ZINC000006759754	569113330	/nfs/dbraw/zinc/11/33/30/569113330.db2.gz	JJDZKZVSTVXVTD-UHFFFAOYSA-N	-1	1	410.401	3.034	50	10		HGCAMM