smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000012504548	181768592	/nfs/dbraw/zinc/76/85/92/181768592.db2.gz	JFEIZQQPGKDPTD-FLIBITNWSA-N	-1	0	323.395	2.371	50	10		DECARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1	ZINC000000368319	401695465	/nfs/dbraw/zinc/69/54/65/401695465.db2.gz	LINXJZUGPQVKNT-XNTDXEJSSA-N	-1	0	312.300	2.296	50	10		DECARM
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)[N-]C3=O)c2C)cc1	ZINC000000451098	401698051	/nfs/dbraw/zinc/69/80/51/401698051.db2.gz	YUHRKYBXPWGLKT-OQLLNIDSSA-N	-1	0	311.341	2.283	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2O)SC1=S	ZINC000001298024	401705418	/nfs/dbraw/zinc/70/54/18/401705418.db2.gz	OVFWOEKHPAAQJT-FLIBITNWSA-N	-1	0	323.395	2.458	50	10		DECARM
COc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(N)cc1	ZINC000002388879	401713596	/nfs/dbraw/zinc/71/35/96/401713596.db2.gz	QUQYIEXXKFKKAQ-UHFFFAOYSA-N	-1	0	300.314	2.157	50	10		DECARM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)c1O	ZINC000013576551	401801733	/nfs/dbraw/zinc/80/17/33/401801733.db2.gz	BPNUQQSCDCBEAN-UVTDQMKNSA-N	-1	0	324.336	2.171	50	10		DECARM
CC(C)CCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000019595393	401822316	/nfs/dbraw/zinc/82/23/16/401822316.db2.gz	RRKPZAOPJJAUTC-KAMYIIQDSA-N	-1	0	315.373	2.179	50	10		DECARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1	ZINC000004592216	301225496	/nfs/dbraw/zinc/22/54/96/301225496.db2.gz	OGPIYXSDUSLRPV-XNTDXEJSSA-N	-1	0	323.352	2.308	50	10		DECARM
C=C(c1ccc(O)cc1)C1SC(=S)N(CC(=O)[O-])C1=O	ZINC000002700349	180947613	/nfs/dbraw/zinc/94/76/13/180947613.db2.gz	UKABYQPIYSOYQN-XFFZJAGNSA-N	-1	0	309.368	2.068	50	10		DECARM
CC[C@H](NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C)C(=O)[O-]	ZINC000019143470	182105796	/nfs/dbraw/zinc/10/57/96/182105796.db2.gz	PYFYJWOIQJWQMC-HNRFISLBSA-N	-1	0	315.373	2.363	50	10		DECARM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000000966828	401703614	/nfs/dbraw/zinc/70/36/14/401703614.db2.gz	RBFAZZXBOAKXHR-DHZHZOJOSA-N	-1	0	323.395	2.371	50	10		DECARM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000013633303	401802028	/nfs/dbraw/zinc/80/20/28/401802028.db2.gz	RXOUWRFCGHZSCJ-SDNWHVSQSA-N	-1	0	322.320	2.362	50	10		DECARM
COc1cccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000032972129	401887046	/nfs/dbraw/zinc/88/70/46/401887046.db2.gz	ISDQOLFJWLQCRJ-UHFFFAOYSA-N	-1	0	316.313	2.168	50	10		DECARM
Cc1ccc(O)c(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036622531	401905811	/nfs/dbraw/zinc/90/58/11/401905811.db2.gz	CPSIMGDYMJLQJR-UHFFFAOYSA-N	-1	0	302.286	2.244	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001856696	280186872	/nfs/dbraw/zinc/18/68/72/280186872.db2.gz	VRGPCICABMEWHR-ZJRUKIMVSA-N	-1	0	322.411	2.392	50	10		DECARM
CN1C(=O)[N-]C(=O)C(=Cc2c[nH]nc2-c2ccc(F)cc2)C1=O	ZINC000003628950	181042784	/nfs/dbraw/zinc/04/27/84/181042784.db2.gz	UJDUANTYOSWDCQ-IZZDOVSWSA-N	-1	0	314.276	2.148	50	10		DECARM
CCCc1cc(=O)oc2c1ccc([O-])c2CN1CCOCC1	ZINC000020230583	182199486	/nfs/dbraw/zinc/19/94/86/182199486.db2.gz	PVRGDLAYHXRZFR-UHFFFAOYSA-N	-1	0	303.358	2.283	50	10		DECARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccoc1	ZINC000004819699	296359528	/nfs/dbraw/zinc/35/95/28/296359528.db2.gz	UGUGTEYIZVDUAP-GHXNOFRVSA-N	-1	0	316.313	2.250	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccn2)SC1=S	ZINC000001300713	401705420	/nfs/dbraw/zinc/70/54/20/401705420.db2.gz	OEINKKZULXLWMF-BRNRAETOSA-N	-1	0	322.411	2.392	50	10		DECARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001754549	401710447	/nfs/dbraw/zinc/71/04/47/401710447.db2.gz	JRFVMRNBAOSUAF-YFHOEESVSA-N	-1	0	309.368	2.068	50	10		DECARM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000013948440	401805162	/nfs/dbraw/zinc/80/51/62/401805162.db2.gz	GEOHWFYFHNHASM-UHFFFAOYSA-N	-1	0	307.306	2.471	50	10		DECARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1C	ZINC000009310528	401760973	/nfs/dbraw/zinc/76/09/73/401760973.db2.gz	UZVFCPNUMMZQJS-IZZDOVSWSA-N	-1	0	323.395	2.289	50	10		DECARM
CCOc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000033622279	401892039	/nfs/dbraw/zinc/89/20/39/401892039.db2.gz	PDSOOZJVHBSURE-XFFZJAGNSA-N	-1	0	323.395	2.371	50	10		DECARM
COc1ccc2c3c(n([O-])c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000824764642	783606012	/nfs/dbraw/zinc/60/60/12/783606012.db2.gz	WBEHAVYAJWHZSD-UHFFFAOYSA-N	-1	0	323.304	2.467	50	10		DECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccc4c(c3)OCO4)c2n1	ZINC000004649647	181132044	/nfs/dbraw/zinc/13/20/44/181132044.db2.gz	OXXBRZAZSGNUEI-ISLYRVAYSA-N	-1	0	312.289	2.057	50	10		DECARM
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004837592	181159975	/nfs/dbraw/zinc/15/99/75/181159975.db2.gz	RYPDDHYEWBGMKY-BQYQJAHWSA-N	-1	0	321.288	2.041	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001304736	304048603	/nfs/dbraw/zinc/04/86/03/304048603.db2.gz	AYYVOLPEHTXSEV-FLIBITNWSA-N	-1	0	323.395	2.458	50	10		DECARM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNCCCC(=O)[O-]	ZINC000019143474	182105780	/nfs/dbraw/zinc/10/57/80/182105780.db2.gz	XQJQBHIXXAZZON-GDNBJRDFSA-N	-1	0	315.373	2.364	50	10		DECARM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000024543581	182383228	/nfs/dbraw/zinc/38/32/28/182383228.db2.gz	GVQWGJYEFBMINP-RAXLEYEMSA-N	-1	0	301.346	2.465	50	10		DECARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000000310062	401694010	/nfs/dbraw/zinc/69/40/10/401694010.db2.gz	SIKOKKFZANGTCL-UHFFFAOYSA-N	-1	0	322.298	2.124	50	10		DECARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccco1	ZINC000002282873	304656648	/nfs/dbraw/zinc/65/66/48/304656648.db2.gz	KZTVTIQKNYQIJZ-XYOKQWHBSA-N	-1	0	300.245	2.085	50	10		DECARM
COc1cccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c1	ZINC000001216252	180850029	/nfs/dbraw/zinc/85/00/29/180850029.db2.gz	WCTOQHZQAPZILK-DHZHZOJOSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C([O-])CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004155249	181079165	/nfs/dbraw/zinc/07/91/65/181079165.db2.gz	WTUGSUBIJLXAFU-UHFFFAOYSA-N	-1	0	323.304	2.265	50	10		DECARM
CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)NC3=O)ccc21	ZINC000005033137	181194088	/nfs/dbraw/zinc/19/40/88/181194088.db2.gz	CLNWFNCOBZXZJN-UHFFFAOYSA-N	-1	0	313.357	2.439	50	10		DECARM
Nc1ccc(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1	ZINC000585139275	357337991	/nfs/dbraw/zinc/33/79/91/357337991.db2.gz	YIOCTTONGAIOQA-SJORKVTESA-N	-1	0	324.380	2.138	50	10		DECARM
O=C1[N-]C(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)N1	ZINC000007091937	401736197	/nfs/dbraw/zinc/73/61/97/401736197.db2.gz	HWXIDWOBLNLPCJ-UHFFFAOYSA-N	-1	0	307.309	2.015	50	10		DECARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1O	ZINC000000073719	401687807	/nfs/dbraw/zinc/68/78/07/401687807.db2.gz	FHOIAECWBFFBMZ-UHFFFAOYSA-N	-1	0	311.290	2.030	50	10		DECARM
Cc1c(C)c2ccc([O-])c(C[NH2+][C@H](C(=O)[O-])C(C)C)c2oc1=O	ZINC000206166118	636667899	/nfs/dbraw/zinc/66/78/99/636667899.db2.gz	DPEKULHZYAKZKB-AWEZNQCLSA-N	-1	0	319.357	2.314	50	10		DECARM
CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C)C1=O	ZINC000000446978	683830485	/nfs/dbraw/zinc/83/04/85/683830485.db2.gz	ACMXPNRLFQDFCB-UVTDQMKNSA-N	-1	0	324.336	2.330	50	10		DECARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000015938926	182025898	/nfs/dbraw/zinc/02/58/98/182025898.db2.gz	GUAUWURXSVMHCW-UVTDQMKNSA-N	-1	0	324.336	2.165	50	10		DECARM
COc1ccc(N(CC(=O)[O-])CC(=O)NC2CCCCC2)cc1	ZINC000034926489	182744376	/nfs/dbraw/zinc/74/43/76/182744376.db2.gz	TWEANAGEMUFEHO-UHFFFAOYSA-N	-1	0	320.389	2.035	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000005727383	401730788	/nfs/dbraw/zinc/73/07/88/401730788.db2.gz	ZUVZZNBYZGLVRK-RUYJGKKWSA-N	-1	0	322.411	2.392	50	10		DECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1	ZINC000000062550	401687643	/nfs/dbraw/zinc/68/76/43/401687643.db2.gz	FIHYEPLLKDUHDI-XNTDXEJSSA-N	-1	0	322.320	2.367	50	10		DECARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O	ZINC000000446824	401698380	/nfs/dbraw/zinc/69/83/80/401698380.db2.gz	COVHEPMKUOKWST-XYOKQWHBSA-N	-1	0	314.272	2.177	50	10		DECARM
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000000966881	401703682	/nfs/dbraw/zinc/70/36/82/401703682.db2.gz	FDOAJULQLDZKDQ-YRNVUSSQSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000032274064	401877585	/nfs/dbraw/zinc/87/75/85/401877585.db2.gz	ADLWVYMZZIAYDP-NTEUORMPSA-N	-1	0	300.264	2.426	50	10		DECARM
COc1ccc(-c2nc3sc(C(N)=O)c([O-])c3c(C)n2)cc1	ZINC000013728472	295049417	/nfs/dbraw/zinc/04/94/17/295049417.db2.gz	VXKWGQXMYNBAOK-UHFFFAOYSA-N	-1	0	315.354	2.480	50	10		DECARM
COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000033377534	295053342	/nfs/dbraw/zinc/05/33/42/295053342.db2.gz	YBNLZBUAKSWHPM-LBTPYSACSA-N	-1	0	323.395	2.370	50	10		DECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1	ZINC000000296553	295155630	/nfs/dbraw/zinc/15/56/30/295155630.db2.gz	UYFWAYYORZHCSM-RVDMUPIBSA-N	-1	0	322.320	2.362	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccccn2)SC1=S	ZINC000000967131	180837836	/nfs/dbraw/zinc/83/78/36/180837836.db2.gz	ZQCNGSIDJSWKHF-NTMALXAHSA-N	-1	0	308.384	2.148	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001476230	401707924	/nfs/dbraw/zinc/70/79/24/401707924.db2.gz	ZTTOWVGXKQFKJJ-CBFJXKFUSA-N	-1	0	308.384	2.146	50	10		DECARM
CCN(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000005042433	181195179	/nfs/dbraw/zinc/19/51/79/181195179.db2.gz	JIVSKNYRSUIEQG-RMKNXTFCSA-N	-1	0	316.317	2.010	50	10		DECARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccoc1	ZINC000000037485	296359500	/nfs/dbraw/zinc/35/95/00/296359500.db2.gz	UGUGTEYIZVDUAP-KPKJPENVSA-N	-1	0	316.313	2.250	50	10		DECARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])C(C)C	ZINC000003863567	401724921	/nfs/dbraw/zinc/72/49/21/401724921.db2.gz	RRTLWVNESVIBJO-HNNXBMFYSA-N	-1	0	319.357	2.260	50	10	biogenic	DECARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCCCC(=O)[O-]	ZINC000035185254	401896573	/nfs/dbraw/zinc/89/65/73/401896573.db2.gz	SXPLLAGPEVTYSN-UVTDQMKNSA-N	-1	0	301.346	2.056	50	10		DECARM
Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CC(C)C)C(=O)[O-]	ZINC000000044086	301068540	/nfs/dbraw/zinc/06/85/40/301068540.db2.gz	YPJLUCAXHFPZJD-ZDUSSCGKSA-N	-1	0	319.357	2.396	50	10	in-vitro	DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccn2)SC1=S	ZINC000001300715	401705336	/nfs/dbraw/zinc/70/53/36/401705336.db2.gz	OEINKKZULXLWMF-ZJRUKIMVSA-N	-1	0	322.411	2.392	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1C	ZINC000004460731	633513116	/nfs/dbraw/zinc/51/31/16/633513116.db2.gz	RMOCFAMMZUWGJO-ZSOIEALJSA-N	-1	0	324.336	2.176	50	10		DECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000004813891	295802090	/nfs/dbraw/zinc/80/20/90/295802090.db2.gz	NOXFPQYJWMPYFL-FSEMZKDTSA-N	-1	0	309.368	2.067	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc[nH]1	ZINC000019597146	182133370	/nfs/dbraw/zinc/13/33/70/182133370.db2.gz	YDDCIJKITBNBJT-NTMALXAHSA-N	-1	0	315.716	2.335	50	10		DECARM
O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1cccnc1	ZINC000096792790	304254041	/nfs/dbraw/zinc/25/40/41/304254041.db2.gz	QMVJAVHRGCJUBD-WQLSENKSSA-N	-1	0	319.320	2.434	50	10		DECARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1C	ZINC000011291196	401773422	/nfs/dbraw/zinc/77/34/22/401773422.db2.gz	ITHDGAGNNGYMFQ-WDZFZDKYSA-N	-1	0	323.395	2.289	50	10		DECARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(N)=Nc1nc(C)cc(C)n1	ZINC000101091021	402143781	/nfs/dbraw/zinc/14/37/81/402143781.db2.gz	ZVFUGGJTWNYXSP-CCEZHUSRSA-N	-1	0	322.372	2.098	50	10		DECARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000013039781	295053139	/nfs/dbraw/zinc/05/31/39/295053139.db2.gz	PITKDZCHBCHKFH-RVDMUPIBSA-N	-1	0	322.320	2.362	50	10		DECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001304739	295802002	/nfs/dbraw/zinc/80/20/02/295802002.db2.gz	NOXFPQYJWMPYFL-LOBLAWFCSA-N	-1	0	309.368	2.067	50	10		DECARM
CN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000000966855	180838216	/nfs/dbraw/zinc/83/82/16/180838216.db2.gz	NQCAEFWJMWHHDD-YRNVUSSQSA-N	-1	0	322.411	2.038	50	10		DECARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000015659226	182010672	/nfs/dbraw/zinc/01/06/72/182010672.db2.gz	XZYDYKLSEHTVJM-RVDMUPIBSA-N	-1	0	322.320	2.362	50	10		DECARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000016292733	182039526	/nfs/dbraw/zinc/03/95/26/182039526.db2.gz	CSOQAGABDGCRFS-ZROIWOOFSA-N	-1	0	324.336	2.171	50	10		DECARM
Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCOCC1	ZINC000019791726	182150220	/nfs/dbraw/zinc/15/02/20/182150220.db2.gz	RYPSGQSBXRSOHJ-UHFFFAOYSA-N	-1	0	309.749	2.293	50	10	biogenic	DECARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000001021011	401703999	/nfs/dbraw/zinc/70/39/99/401703999.db2.gz	GUAUWURXSVMHCW-GXDHUFHOSA-N	-1	0	324.336	2.165	50	10		DECARM
O=C([O-])c1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000013352617	401799534	/nfs/dbraw/zinc/79/95/34/401799534.db2.gz	IDUUXROOZBOOPH-QHHAFSJGSA-N	-1	0	315.281	2.154	50	10	endogenous,in-man	DECARM
CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C)C(=O)[O-]	ZINC000002114958	282978523	/nfs/dbraw/zinc/97/85/23/282978523.db2.gz	YPVZAWAHOALPCU-SNVBAGLBSA-N	-1	0	319.357	2.404	50	10	biogenic	DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001247099	304048591	/nfs/dbraw/zinc/04/85/91/304048591.db2.gz	MRCAWGPDHXLKBL-NTMALXAHSA-N	-1	0	308.384	2.148	50	10		DECARM
O=C1[N-]C(=O)C(=Cc2cccc(Oc3ccccc3)c2)C(=O)N1	ZINC000003141903	401722020	/nfs/dbraw/zinc/72/20/20/401722020.db2.gz	BLUCZIJQFGJEEA-UHFFFAOYSA-N	-1	0	308.293	2.228	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cccs1	ZINC000000444104	401698177	/nfs/dbraw/zinc/69/81/77/401698177.db2.gz	GMQCWYRPYNAMJQ-UKTHLTGXSA-N	-1	0	312.350	2.410	50	10		DECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002881290	401719361	/nfs/dbraw/zinc/71/93/61/401719361.db2.gz	BRPKEOGKVZEGMS-UHFFFAOYSA-N	-1	0	302.242	2.251	50	10		DECARM
COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)c1	ZINC000012381001	401784249	/nfs/dbraw/zinc/78/42/49/401784249.db2.gz	FJIUKWTXHQDLEI-XAPLUZPNSA-N	-1	0	323.395	2.370	50	10		DECARM
Cc1cc(C(=O)C(=O)[O-])c(C)n1-c1ccc2snnc2c1	ZINC000004054630	181067344	/nfs/dbraw/zinc/06/73/44/181067344.db2.gz	XLBZPCCAZQOLIK-UHFFFAOYSA-N	-1	0	301.327	2.366	50	10		DECARM
C[C@H](C(=O)[O-])N1C(=O)C(=CNc2ccccc2)SC1=S	ZINC000004498016	181115702	/nfs/dbraw/zinc/11/57/02/181115702.db2.gz	UVVSUPAFRDSLTD-RYGSOJJJSA-N	-1	0	308.384	2.273	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccn2)SC1=S	ZINC000002447600	401714110	/nfs/dbraw/zinc/71/41/10/401714110.db2.gz	BWPIWQOPSCJTLZ-SBMLRHLQSA-N	-1	0	308.384	2.146	50	10		DECARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000014256760	401810591	/nfs/dbraw/zinc/81/05/91/401810591.db2.gz	XUUINFMSWUGPNP-UHFFFAOYSA-N	-1	0	317.326	2.226	50	10		DECARM
CCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000019595331	401822369	/nfs/dbraw/zinc/82/23/69/401822369.db2.gz	GMQCRBODLCABIH-OWBHPGMISA-N	-1	0	315.373	2.323	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000005178484	280186620	/nfs/dbraw/zinc/18/66/20/280186620.db2.gz	OEINKKZULXLWMF-PFEDMVJOSA-N	-1	0	322.411	2.392	50	10		DECARM
COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000000966960	295053130	/nfs/dbraw/zinc/05/31/30/295053130.db2.gz	YBNLZBUAKSWHPM-CLUBXZQOSA-N	-1	0	323.395	2.370	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001011301	180841230	/nfs/dbraw/zinc/84/12/30/180841230.db2.gz	YTEAQCYWZIQXRU-FLIBITNWSA-N	-1	0	323.395	2.458	50	10		DECARM
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1	ZINC000003878523	181051704	/nfs/dbraw/zinc/05/17/04/181051704.db2.gz	GSITZZUEHIPPMH-UHFFFAOYSA-N	-1	0	309.303	2.167	50	10		DECARM
CC(=O)[N-]S(=O)(=O)c1ccc(/N=N/N2CCCCCC2)cc1	ZINC000100084919	193794703	/nfs/dbraw/zinc/79/47/03/193794703.db2.gz	QIORWLRIECTVGV-BMRADRMJSA-N	-1	0	324.406	2.386	50	10		DECARM
CCN1CCN(Cc2c([O-])ccc3c(=O)c(Cl)coc32)CC1	ZINC000041515065	183195685	/nfs/dbraw/zinc/19/56/85/183195685.db2.gz	GRXWHIXWFWPQSK-UHFFFAOYSA-N	-1	0	322.792	2.290	50	10		DECARM
COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(C)c1	ZINC000014223724	401809615	/nfs/dbraw/zinc/80/96/15/401809615.db2.gz	VMGFDXABWHPUHM-UHFFFAOYSA-N	-1	0	319.342	2.341	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001856694	279799343	/nfs/dbraw/zinc/79/93/43/279799343.db2.gz	VRGPCICABMEWHR-BRNRAETOSA-N	-1	0	322.411	2.392	50	10		DECARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000000228145	683830292	/nfs/dbraw/zinc/83/02/92/683830292.db2.gz	XKSKZIGHCDAODD-GXDHUFHOSA-N	-1	0	324.361	2.224	50	10		DECARM
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(F)cc1F	ZINC000007051988	401736137	/nfs/dbraw/zinc/73/61/37/401736137.db2.gz	YSAXXCDPVIODIZ-UHFFFAOYSA-N	-1	0	313.281	2.494	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S	ZINC000001011300	401704122	/nfs/dbraw/zinc/70/41/22/401704122.db2.gz	YTEAQCYWZIQXRU-DHZHZOJOSA-N	-1	0	323.395	2.458	50	10		DECARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000014256750	401810929	/nfs/dbraw/zinc/81/09/29/401810929.db2.gz	KTLFMXCOTLLGRO-UHFFFAOYSA-N	-1	0	317.326	2.226	50	10		DECARM
COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000005392684	181238701	/nfs/dbraw/zinc/23/87/01/181238701.db2.gz	QYLHLIGARONIMV-UHFFFAOYSA-N	-1	0	305.315	2.032	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(F)c(F)c2)SC1=S	ZINC000058367374	184109503	/nfs/dbraw/zinc/10/95/03/184109503.db2.gz	SBJDLOSBYYUIEX-WTKPLQERSA-N	-1	0	315.322	2.251	50	10		DECARM
O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cccs1	ZINC000002282257	401712661	/nfs/dbraw/zinc/71/26/61/401712661.db2.gz	HYZNETGXVVCRQN-MXFUOJGSSA-N	-1	0	306.343	2.229	50	10		DECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000013409634	401799319	/nfs/dbraw/zinc/79/93/19/401799319.db2.gz	VYUIEWYCPNCSNZ-UVTDQMKNSA-N	-1	0	309.281	2.056	50	10		DECARM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1	ZINC000012471096	401786378	/nfs/dbraw/zinc/78/63/78/401786378.db2.gz	BMXPJZMXJXORAZ-GDNBJRDFSA-N	-1	0	312.300	2.296	50	10		DECARM
O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1cccc([N+](=O)[O-])c1	ZINC000100235337	402140586	/nfs/dbraw/zinc/14/05/86/402140586.db2.gz	HYNAGEZLFXNCHE-VWUPPOFCSA-N	-1	0	301.184	2.095	50	10		DECARM
Cn1ccc2c1nccc2-c1cncc(SCC(=O)[O-])n1	ZINC000072476952	191179682	/nfs/dbraw/zinc/17/96/82/191179682.db2.gz	VTHQJEJIWKBTTR-UHFFFAOYSA-N	-1	0	300.343	2.207	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000000967130	180837938	/nfs/dbraw/zinc/83/79/38/180837938.db2.gz	ZQCNGSIDJSWKHF-CSKARUKUSA-N	-1	0	308.384	2.148	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000005751401	181280735	/nfs/dbraw/zinc/28/07/35/181280735.db2.gz	UDGCXOBIXOVSQB-GDNBJRDFSA-N	-1	0	323.308	2.365	50	10		DECARM
Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000001295347	401705343	/nfs/dbraw/zinc/70/53/43/401705343.db2.gz	MEGFBASJGORXIQ-RAXLEYEMSA-N	-1	0	311.366	2.268	50	10		DECARM
CN(c1ccccc1)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002872946	401719637	/nfs/dbraw/zinc/71/96/37/401719637.db2.gz	AADMGMYWVAHBKP-UHFFFAOYSA-N	-1	0	321.336	2.204	50	10		DECARM
Cn1cccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000013758001	401804656	/nfs/dbraw/zinc/80/46/56/401804656.db2.gz	BCHGGUQQEBAARH-NTMALXAHSA-N	-1	0	310.400	2.091	50	10		DECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1	ZINC000004815332	181156068	/nfs/dbraw/zinc/15/60/68/181156068.db2.gz	UHFILINHYQNIPS-NTCAYCPXSA-N	-1	0	323.352	2.341	50	10		DECARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)C1=O	ZINC000000118142	401688210	/nfs/dbraw/zinc/68/82/10/401688210.db2.gz	QGVRLXXDDXKTCA-DHZHZOJOSA-N	-1	0	314.272	2.177	50	10		DECARM
COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)c1	ZINC000001213467	401704614	/nfs/dbraw/zinc/70/46/14/401704614.db2.gz	FJIUKWTXHQDLEI-XNYAHFKXSA-N	-1	0	323.395	2.370	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000001805085	401711122	/nfs/dbraw/zinc/71/11/22/401711122.db2.gz	DLJAWAOAHJQVKI-LKJZUNMESA-N	-1	0	308.384	2.146	50	10		DECARM
CC(C)Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002969608	275663366	/nfs/dbraw/zinc/66/33/66/275663366.db2.gz	DEUBASGISLFCDC-UHFFFAOYSA-N	-1	0	324.336	2.376	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005690107	279799671	/nfs/dbraw/zinc/79/96/71/279799671.db2.gz	SENGJYWBFIKNOC-HUYFXPKMSA-N	-1	0	324.427	2.336	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002377121	280186717	/nfs/dbraw/zinc/18/67/17/280186717.db2.gz	SENGJYWBFIKNOC-ZJRUKIMVSA-N	-1	0	324.427	2.336	50	10		DECARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000004680828	401726856	/nfs/dbraw/zinc/72/68/56/401726856.db2.gz	CUAWQLQVFPGAHC-XNTDXEJSSA-N	-1	0	322.320	2.367	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002437063	401713375	/nfs/dbraw/zinc/71/33/75/401713375.db2.gz	XTGUPMZDWXYAEP-CBFJXKFUSA-N	-1	0	310.400	2.090	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccn2)SC1=S	ZINC000002447598	401714045	/nfs/dbraw/zinc/71/40/45/401714045.db2.gz	BWPIWQOPSCJTLZ-CBFJXKFUSA-N	-1	0	308.384	2.146	50	10		DECARM
O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1cccc([N+](=O)[O-])c1	ZINC000100235330	402140576	/nfs/dbraw/zinc/14/05/76/402140576.db2.gz	HYNAGEZLFXNCHE-BZSVUZHVSA-N	-1	0	301.184	2.095	50	10		DECARM
Cc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)[N-]C2=S)cc1	ZINC000035973929	280859257	/nfs/dbraw/zinc/85/92/57/280859257.db2.gz	VDTUFNIBDBOAJH-LCYFTJDESA-N	-1	0	311.366	2.154	50	10		DECARM
CCOC(=O)c1c(SC)[n-]n2c1nc1c(c2=O)CCCC1	ZINC000253534690	563784512	/nfs/dbraw/zinc/78/45/12/563784512.db2.gz	GIUQYZMWORIPPM-UHFFFAOYSA-N	-1	0	307.375	2.212	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)cc1C	ZINC000003114015	180982798	/nfs/dbraw/zinc/98/27/98/180982798.db2.gz	RMOCFAMMZUWGJO-RIYZIHGNSA-N	-1	0	324.336	2.176	50	10		DECARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S	ZINC000005374591	181235829	/nfs/dbraw/zinc/23/58/29/181235829.db2.gz	CPIHATWVNJETDT-CBFJXKFUSA-N	-1	0	310.400	2.469	50	10		DECARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S	ZINC000005374592	181235948	/nfs/dbraw/zinc/23/59/48/181235948.db2.gz	CPIHATWVNJETDT-SBMLRHLQSA-N	-1	0	310.400	2.469	50	10		DECARM
Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)C(=O)[N-]C2=S)cc1	ZINC000009301851	292126690	/nfs/dbraw/zinc/12/66/90/292126690.db2.gz	VDTUFNIBDBOAJH-UKTHLTGXSA-N	-1	0	311.366	2.154	50	10		DECARM
CCC[C@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000004540323	401726764	/nfs/dbraw/zinc/72/67/64/401726764.db2.gz	WHUNYSQHNABNEU-LBPRGKRZSA-N	-1	0	305.330	2.150	50	10		DECARM
CCOc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O	ZINC000000446683	401698183	/nfs/dbraw/zinc/69/81/83/401698183.db2.gz	CUDHDUDSKHWVKD-SDNWHVSQSA-N	-1	0	324.336	2.252	50	10		DECARM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000014256124	401810536	/nfs/dbraw/zinc/81/05/36/401810536.db2.gz	WZTBLSGLOCVKDP-UHFFFAOYSA-N	-1	0	319.342	2.422	50	10		DECARM
CCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)SC1=S	ZINC000005201089	181216014	/nfs/dbraw/zinc/21/60/14/181216014.db2.gz	GOQDEJWEFJREDF-YRNVUSSQSA-N	-1	0	323.395	2.371	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000000274235	401692905	/nfs/dbraw/zinc/69/29/05/401692905.db2.gz	FGFGJUUMGYANSW-RIYZIHGNSA-N	-1	0	322.320	2.185	50	10		DECARM
Cc1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000004731234	181143655	/nfs/dbraw/zinc/14/36/55/181143655.db2.gz	RLKKSOCKDSDBCS-UHFFFAOYSA-N	-1	0	316.265	2.296	50	10	biogenic	DECARM
Cc1ccc2nonc2c1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000032579216	182648679	/nfs/dbraw/zinc/64/86/79/182648679.db2.gz	JKIMUHOPCLPXGZ-UHFFFAOYSA-N	-1	0	307.306	2.471	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005967730	401730946	/nfs/dbraw/zinc/73/09/46/401730946.db2.gz	XTGUPMZDWXYAEP-YIXGCBLDSA-N	-1	0	310.400	2.090	50	10		DECARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)[nH]1	ZINC000015837715	280291523	/nfs/dbraw/zinc/29/15/23/280291523.db2.gz	GRJGUNMDRLQOCA-OQLLNIDSSA-N	-1	0	323.352	2.294	50	10		DECARM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000006726785	401732051	/nfs/dbraw/zinc/73/20/51/401732051.db2.gz	UXLAXNGJNVLYKS-UHFFFAOYSA-N	-1	0	307.306	2.471	50	10		DECARM
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000000073705	401687786	/nfs/dbraw/zinc/68/77/86/401687786.db2.gz	DTUDRWUOESNGLC-UHFFFAOYSA-N	-1	0	321.354	2.454	50	10		DECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000000437126	401698375	/nfs/dbraw/zinc/69/83/75/401698375.db2.gz	NBOYFLJLFHYRSJ-GXDHUFHOSA-N	-1	0	309.281	2.056	50	10		DECARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1O	ZINC000032109844	401876443	/nfs/dbraw/zinc/87/64/43/401876443.db2.gz	UOQNJMYRZUMGHB-UVTDQMKNSA-N	-1	0	324.336	2.252	50	10		DECARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000035686145	401900939	/nfs/dbraw/zinc/90/09/39/401900939.db2.gz	ZERFREYAKVATLJ-UHFFFAOYSA-N	-1	0	309.343	2.210	50	10		DECARM
CN1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000000086705	277016125	/nfs/dbraw/zinc/01/61/25/277016125.db2.gz	GUTFXWGJLKVBNU-AGLLBGTNSA-N	-1	0	301.258	2.083	50	10		DECARM
CCc1c(C)c2ccc([O-])c(CN3CCOCC3)c2oc1=O	ZINC000015834010	281368479	/nfs/dbraw/zinc/36/84/79/281368479.db2.gz	BUVOSRXVNBCVRE-UHFFFAOYSA-N	-1	0	303.358	2.202	50	10		DECARM
Cc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c1	ZINC000000441017	301997181	/nfs/dbraw/zinc/99/71/81/301997181.db2.gz	DUSVUOAQUPAZER-MDWZMJQESA-N	-1	0	312.350	2.419	50	10		DECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1C	ZINC000004845826	634445390	/nfs/dbraw/zinc/44/53/90/634445390.db2.gz	AQMAOYRSEDUWED-UVTDQMKNSA-N	-1	0	323.352	2.308	50	10		DECARM
COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)[O-])C1=O	ZINC000001203236	180849327	/nfs/dbraw/zinc/84/93/27/180849327.db2.gz	IWDBBBIBRNNGFL-XNYAHFKXSA-N	-1	0	323.395	2.370	50	10		DECARM
COc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000012504549	181768635	/nfs/dbraw/zinc/76/86/35/181768635.db2.gz	RBFAZZXBOAKXHR-FLIBITNWSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1	ZINC000002994788	401720697	/nfs/dbraw/zinc/72/06/97/401720697.db2.gz	OCWBWODESHDVPQ-GXDHUFHOSA-N	-1	0	308.293	2.059	50	10		DECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1	ZINC000000179625	401689092	/nfs/dbraw/zinc/68/90/92/401689092.db2.gz	OMNOSRRMISICIS-XNTDXEJSSA-N	-1	0	322.320	2.367	50	10		DECARM
Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O	ZINC000000456131	401698411	/nfs/dbraw/zinc/69/84/11/401698411.db2.gz	IBMWEGORLKMDCL-UHFFFAOYSA-N	-1	0	308.315	2.410	50	10		DECARM
CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C)C(=O)[O-]	ZINC000002114956	401711988	/nfs/dbraw/zinc/71/19/88/401711988.db2.gz	YPVZAWAHOALPCU-JTQLQIEISA-N	-1	0	319.357	2.404	50	10	biogenic	DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000005178482	279799846	/nfs/dbraw/zinc/79/98/46/279799846.db2.gz	OEINKKZULXLWMF-HUYFXPKMSA-N	-1	0	322.411	2.392	50	10		DECARM
CC(=O)Nc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000006262395	181324506	/nfs/dbraw/zinc/32/45/06/181324506.db2.gz	QEFAFYOZLJUIRT-LFIBNONCSA-N	-1	0	321.336	2.106	50	10		DECARM
COc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)[O-])C1=O	ZINC000016711889	182058795	/nfs/dbraw/zinc/05/87/95/182058795.db2.gz	IWDBBBIBRNNGFL-LBTPYSACSA-N	-1	0	323.395	2.370	50	10		DECARM
CCOC(=O)c1c(SC)[n-]n2c1nc(C)c(Cl)c2=O	ZINC000062710874	184248866	/nfs/dbraw/zinc/24/88/66/184248866.db2.gz	NDOIRBOIEHTFGU-UHFFFAOYSA-N	-1	0	301.755	2.295	50	10		DECARM
COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000000192641	401689446	/nfs/dbraw/zinc/68/94/46/401689446.db2.gz	RXOUWRFCGHZSCJ-KAMYIIQDSA-N	-1	0	322.320	2.362	50	10		DECARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002446385	401714078	/nfs/dbraw/zinc/71/40/78/401714078.db2.gz	AOEJRFGNFVCDHD-DFYQSJSGSA-N	-1	0	324.427	2.480	50	10		DECARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1	ZINC000015659312	280281200	/nfs/dbraw/zinc/28/12/00/280281200.db2.gz	JREHYCXDGVXZBZ-UVTDQMKNSA-N	-1	0	324.361	2.224	50	10		DECARM
Cc1cccc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)[N-]C2=S)c1	ZINC000020841895	281223321	/nfs/dbraw/zinc/22/33/21/281223321.db2.gz	BBWAMUBJFBUCLB-LCYFTJDESA-N	-1	0	311.366	2.154	50	10		DECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004832339	181158574	/nfs/dbraw/zinc/15/85/74/181158574.db2.gz	GBEFVUNOQWBOBJ-UHFFFAOYSA-N	-1	0	302.242	2.251	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000016309547	401819071	/nfs/dbraw/zinc/81/90/71/401819071.db2.gz	DFSXHVPQRYCHCW-UVTDQMKNSA-N	-1	0	310.284	2.492	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000001254845	280186957	/nfs/dbraw/zinc/18/69/57/280186957.db2.gz	ZUVZZNBYZGLVRK-SDKXAQGSSA-N	-1	0	322.411	2.392	50	10		DECARM
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1	ZINC000000966962	295053083	/nfs/dbraw/zinc/05/30/83/295053083.db2.gz	YBNLZBUAKSWHPM-XNYAHFKXSA-N	-1	0	323.395	2.370	50	10		DECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1	ZINC000005043675	634888045	/nfs/dbraw/zinc/88/80/45/634888045.db2.gz	OMNOSRRMISICIS-GDNBJRDFSA-N	-1	0	322.320	2.367	50	10		DECARM
O=C([O-])C1CCN(C2=NC(=O)/C(=C\c3ccco3)S2)CC1	ZINC000001395053	401706731	/nfs/dbraw/zinc/70/67/31/401706731.db2.gz	ZPUDCARBRRDYJA-DHZHZOJOSA-N	-1	0	306.343	2.047	50	10		DECARM
COc1ccc2c3ccc(OCc4nnn[n-]4)cc3oc(=O)c2c1	ZINC000002226999	401712812	/nfs/dbraw/zinc/71/28/12/401712812.db2.gz	LWAXEGXUBXVIMJ-UHFFFAOYSA-N	-1	0	324.296	2.047	50	10		DECARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002446387	401714073	/nfs/dbraw/zinc/71/40/73/401714073.db2.gz	AOEJRFGNFVCDHD-UBYNWHESSA-N	-1	0	324.427	2.480	50	10		DECARM
COc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000013322595	401798671	/nfs/dbraw/zinc/79/86/71/401798671.db2.gz	BHLMQLDELYJQOH-UHFFFAOYSA-N	-1	0	305.315	2.032	50	10		DECARM
Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)o1	ZINC000015659320	787194123	/nfs/dbraw/zinc/19/41/23/787194123.db2.gz	LWBGSTXWFXJDIM-LCYFTJDESA-N	-1	0	312.350	2.419	50	10		DECARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1	ZINC000006641179	181363599	/nfs/dbraw/zinc/36/35/99/181363599.db2.gz	DRSLCJJCFHISCX-MHWRWJLKSA-N	-1	0	324.336	2.165	50	10		DECARM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCCCC(=O)[O-]	ZINC000019143462	182106108	/nfs/dbraw/zinc/10/61/08/182106108.db2.gz	VNWARJLHVAASSW-LCYFTJDESA-N	-1	0	321.764	2.401	50	10		DECARM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC	ZINC000000053844	401687630	/nfs/dbraw/zinc/68/76/30/401687630.db2.gz	QYKFXJGSUZEMRR-SDNWHVSQSA-N	-1	0	324.336	2.165	50	10		DECARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000000235355	401691939	/nfs/dbraw/zinc/69/19/39/401691939.db2.gz	PITKDZCHBCHKFH-PTNGSMBKSA-N	-1	0	322.320	2.362	50	10		DECARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1	ZINC000000492491	401699474	/nfs/dbraw/zinc/69/94/74/401699474.db2.gz	ZSBQIKGHBSJVEE-JLHYYAGUSA-N	-1	0	315.373	2.013	50	10		DECARM
Cc1c(C)c2ccc([O-])c(C[NH2+][C@@H](C(=O)[O-])C(C)C)c2oc1=O	ZINC000035686304	401900745	/nfs/dbraw/zinc/90/07/45/401900745.db2.gz	DPEKULHZYAKZKB-CQSZACIVSA-N	-1	0	319.357	2.314	50	10		DECARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1	ZINC000004991667	295155735	/nfs/dbraw/zinc/15/57/35/295155735.db2.gz	UYFWAYYORZHCSM-PTNGSMBKSA-N	-1	0	322.320	2.362	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1	ZINC000000453499	304657180	/nfs/dbraw/zinc/65/71/80/304657180.db2.gz	PFYNTAXMTCGBIH-BENRWUELSA-N	-1	0	310.284	2.492	50	10		DECARM
COc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000005998596	181304265	/nfs/dbraw/zinc/30/42/65/181304265.db2.gz	WEPBGSIAWZTEJR-UHFFFAOYSA-N	-1	0	316.265	2.291	50	10	biogenic,in-vivo	DECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(O)c1	ZINC000000440866	401698367	/nfs/dbraw/zinc/69/83/67/401698367.db2.gz	LELKHCYSQBTXLH-GXDHUFHOSA-N	-1	0	308.293	2.059	50	10		DECARM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c2nonc21	ZINC000032579209	401879866	/nfs/dbraw/zinc/87/98/66/401879866.db2.gz	MSDDUJPQZHXGSI-UHFFFAOYSA-N	-1	0	323.305	2.171	50	10		DECARM
CCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019595378	683859382	/nfs/dbraw/zinc/85/93/82/683859382.db2.gz	SAMCENNCNDTIAA-XFXZXTDPSA-N	-1	0	321.764	2.196	50	10		DECARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2)C1=O	ZINC000004576945	401726703	/nfs/dbraw/zinc/72/67/03/401726703.db2.gz	WGHBNMJUOFSMMR-QBFSEMIESA-N	-1	0	322.320	2.362	50	10		DECARM
CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000002815113	401718898	/nfs/dbraw/zinc/71/88/98/401718898.db2.gz	VNFFBZZAJIJFMG-MRVPVSSYSA-N	-1	0	322.748	2.267	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005967700	286747112	/nfs/dbraw/zinc/74/71/12/286747112.db2.gz	XTGUPMZDWXYAEP-HZAKCSEPSA-N	-1	0	310.400	2.090	50	10		DECARM
COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)c1	ZINC000001213464	295281227	/nfs/dbraw/zinc/28/12/27/295281227.db2.gz	FJIUKWTXHQDLEI-CLUBXZQOSA-N	-1	0	323.395	2.370	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000000492505	284860350	/nfs/dbraw/zinc/86/03/50/284860350.db2.gz	DSJJLBWTTPIHNB-XNTDXEJSSA-N	-1	0	322.320	2.054	50	10		DECARM
CCOc1ccc(N=Nc2c(=O)[n-]n3c2[nH]c(C)cc3=O)cc1	ZINC000102506967	402168215	/nfs/dbraw/zinc/16/82/15/402168215.db2.gz	WLZJRJPXYRHPRM-ISLYRVAYSA-N	-1	0	313.317	2.438	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000005809366	287512810	/nfs/dbraw/zinc/51/28/10/287512810.db2.gz	DLJAWAOAHJQVKI-ZFZMKPAXSA-N	-1	0	308.384	2.146	50	10		DECARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2	ZINC000003667959	181044212	/nfs/dbraw/zinc/04/42/12/181044212.db2.gz	YSOYOJOVFAWJCR-UHFFFAOYSA-N	-1	0	311.359	2.217	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1	ZINC000004696514	401726820	/nfs/dbraw/zinc/72/68/20/401726820.db2.gz	MHDKAEAXOMQUET-PTNGSMBKSA-N	-1	0	306.321	2.349	50	10		DECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001213690	401704652	/nfs/dbraw/zinc/70/46/52/401704652.db2.gz	ZUHLOKNILGGVCY-LWYMYGMPSA-N	-1	0	309.368	2.067	50	10		DECARM
Cn1c2ccccc2c([O-])c(C(=O)Nc2ccc(N)cc2)c1=O	ZINC000100502035	402141764	/nfs/dbraw/zinc/14/17/64/402141764.db2.gz	HYCYCWMQUWRXRM-UHFFFAOYSA-N	-1	0	309.325	2.079	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000225573169	356276392	/nfs/dbraw/zinc/27/63/92/356276392.db2.gz	VVMYOSGTEGHMQY-SDNWHVSQSA-N	-1	0	307.309	2.265	50	10		DECARM
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])C(C)C	ZINC000003863568	401724876	/nfs/dbraw/zinc/72/48/76/401724876.db2.gz	RRTLWVNESVIBJO-OAHLLOKOSA-N	-1	0	319.357	2.260	50	10	biogenic	DECARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)o1	ZINC000000084733	401687884	/nfs/dbraw/zinc/68/78/84/401687884.db2.gz	PKLBYWFWXRKLCI-FLIBITNWSA-N	-1	0	314.272	2.394	50	10		DECARM
COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000000212841	401690632	/nfs/dbraw/zinc/69/06/32/401690632.db2.gz	NFDXZOWSHXPFCF-UHFFFAOYSA-N	-1	0	305.315	2.032	50	10		DECARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1C	ZINC000096129583	402061562	/nfs/dbraw/zinc/06/15/62/402061562.db2.gz	ITHDGAGNNGYMFQ-IZZDOVSWSA-N	-1	0	323.395	2.289	50	10		DECARM
COc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])c(OC)c1	ZINC000004826995	181158024	/nfs/dbraw/zinc/15/80/24/181158024.db2.gz	XYDVRGQYEFIELE-UHFFFAOYSA-N	-1	0	317.297	2.360	50	10		DECARM
O=C1[N-]C(=O)C(=Cc2c[nH]nc2-c2ccc(Cl)cc2)C(=O)N1	ZINC000004949653	181178410	/nfs/dbraw/zinc/17/84/10/181178410.db2.gz	PZVCWQJUYBTEEN-UHFFFAOYSA-N	-1	0	316.704	2.320	50	10		DECARM
O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)N1	ZINC000002899241	401720451	/nfs/dbraw/zinc/72/04/51/401720451.db2.gz	FCHCVWPSAXPHGN-UHFFFAOYSA-N	-1	0	322.320	2.015	50	10		DECARM
CCN1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1=S	ZINC000000977538	401703497	/nfs/dbraw/zinc/70/34/97/401703497.db2.gz	GOQDEJWEFJREDF-XFFZJAGNSA-N	-1	0	323.395	2.371	50	10		DECARM
CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000000044083	287752109	/nfs/dbraw/zinc/75/21/09/287752109.db2.gz	DVPCIHZZWJUPQF-VFZGTOFNSA-N	-1	0	319.357	2.396	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000005727406	280186924	/nfs/dbraw/zinc/18/69/24/280186924.db2.gz	ZUVZZNBYZGLVRK-CDCCAWJDSA-N	-1	0	322.411	2.392	50	10		DECARM
CN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000004700805	181139125	/nfs/dbraw/zinc/13/91/25/181139125.db2.gz	ISHYSZDEAUYISB-WQLSENKSSA-N	-1	0	312.281	2.167	50	10		DECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccc4c(c3)OCO4)c2n1	ZINC000334159085	356473842	/nfs/dbraw/zinc/47/38/42/356473842.db2.gz	OXXBRZAZSGNUEI-UHFFFAOYSA-N	-1	0	312.289	2.057	50	10		DECARM
C[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000008469520	296135072	/nfs/dbraw/zinc/13/50/72/296135072.db2.gz	QWHQRWSTIDVINF-SECBINFHSA-N	-1	0	313.309	2.215	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccoc1	ZINC000004815328	284860473	/nfs/dbraw/zinc/86/04/73/284860473.db2.gz	AXELCUBJYLVWRY-QPEQYQDCSA-N	-1	0	314.272	2.081	50	10		DECARM
CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000000460426	401698698	/nfs/dbraw/zinc/69/86/98/401698698.db2.gz	VNFFBZZAJIJFMG-QMMMGPOBSA-N	-1	0	322.748	2.267	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccncc2)SC1=S	ZINC000001476232	401707876	/nfs/dbraw/zinc/70/78/76/401707876.db2.gz	ZTTOWVGXKQFKJJ-SBMLRHLQSA-N	-1	0	308.384	2.146	50	10		DECARM
COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000013536313	401800634	/nfs/dbraw/zinc/80/06/34/401800634.db2.gz	YPZXIVBOAZUHKQ-UVTDQMKNSA-N	-1	0	312.300	2.296	50	10		DECARM
O=C1c2ccccc2C(=O)c2c(Cl)c(S(=O)(=O)[O-])ccc21	ZINC000005776387	304722015	/nfs/dbraw/zinc/72/20/15/304722015.db2.gz	HDBFDCXVVJUUBM-UHFFFAOYSA-N	-1	0	322.725	2.362	50	10		DECARM
CCn1c(C)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1C	ZINC000002833199	331472640	/nfs/dbraw/zinc/47/26/40/331472640.db2.gz	KTTGDCQTQWQTSC-IZZDOVSWSA-N	-1	0	324.427	2.411	50	10		DECARM
Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1	ZINC000004890959	634573597	/nfs/dbraw/zinc/57/35/97/634573597.db2.gz	ITPOYPKFANVWTG-ZSOIEALJSA-N	-1	0	322.320	2.185	50	10		DECARM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000015723633	182013645	/nfs/dbraw/zinc/01/36/45/182013645.db2.gz	MOVDKJOHPSYMSP-YBEGLDIGSA-N	-1	0	324.384	2.340	50	10		DECARM
O=c1oc2c(ccc([O-])c2CN2CCOCC2)c2c1CCCC2	ZINC000019789532	182149489	/nfs/dbraw/zinc/14/94/89/182149489.db2.gz	PCZHTJNPPCHGQF-UHFFFAOYSA-N	-1	0	315.369	2.210	50	10	aggregator	DECARM
Nc1c(C(=O)[O-])cc(Cl)c2c1C(=O)c1ccccc1C2=O	ZINC000004091250	401725645	/nfs/dbraw/zinc/72/56/45/401725645.db2.gz	SKWHCRIVYBRIPB-UHFFFAOYSA-N	-1	0	301.685	2.396	50	10		DECARM
Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)cc1	ZINC000000445996	401698269	/nfs/dbraw/zinc/69/82/69/401698269.db2.gz	TWJIGPQEUWZACZ-UKTHLTGXSA-N	-1	0	312.350	2.419	50	10		DECARM
CCOc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000014256135	401810728	/nfs/dbraw/zinc/81/07/28/401810728.db2.gz	ZWUWUDCRQNAMSX-UHFFFAOYSA-N	-1	0	319.342	2.422	50	10		DECARM
CN1c2ccccc2SC1=CC=C1C(=O)[N-]C(=O)NC1=O	ZINC000033662044	401892099	/nfs/dbraw/zinc/89/20/99/401892099.db2.gz	OGGLNMQWLOMUTJ-YRNVUSSQSA-N	-1	0	301.327	2.203	50	10		DECARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N(C)C)cc2)C1=O	ZINC000004508361	276234296	/nfs/dbraw/zinc/23/42/96/276234296.db2.gz	JJNFCQKKAXJQSR-KAMYIIQDSA-N	-1	0	315.373	2.015	50	10		DECARM
CCCN(CCC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004599192	181128522	/nfs/dbraw/zinc/12/85/22/181128522.db2.gz	JLUPYJQUSXVRLR-UHFFFAOYSA-N	-1	0	315.373	2.062	50	10		DECARM
CC[C@@H](NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C)C(=O)[O-]	ZINC000019143466	182105829	/nfs/dbraw/zinc/10/58/29/182105829.db2.gz	PYFYJWOIQJWQMC-AAWPKVBNSA-N	-1	0	315.373	2.363	50	10		DECARM
Cc1ccc(N2C(=O)/C(=C\c3ccoc3)C(=O)[N-]C2=S)cc1	ZINC000004859401	292126615	/nfs/dbraw/zinc/12/66/15/292126615.db2.gz	BLHNSZIUBRQFRR-JYRVWZFOSA-N	-1	0	312.350	2.419	50	10		DECARM
CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S	ZINC000001581277	401708614	/nfs/dbraw/zinc/70/86/14/401708614.db2.gz	BJDXFCQSCIUNGO-XFFZJAGNSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C([O-])/C=C/c1c(F)c(F)c(N2CCOCC2)c(F)c1F	ZINC000012343608	401783801	/nfs/dbraw/zinc/78/38/01/401783801.db2.gz	GHRHYRRZGXHVMH-OWOJBTEDSA-N	-1	0	305.227	2.177	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000106557488	424849660	/nfs/dbraw/zinc/84/96/60/424849660.db2.gz	WJQCAEJWPYCCNC-RVDMUPIBSA-N	-1	0	321.336	2.261	50	10		DECARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)o1	ZINC000015769579	683852552	/nfs/dbraw/zinc/85/25/52/683852552.db2.gz	BIYBQVPTGUWJAC-NTEUORMPSA-N	-1	0	310.309	2.250	50	10		DECARM
COc1ccc2c3ccc(OCC(=O)[O-])cc3oc(=O)c2c1	ZINC000000107566	180695982	/nfs/dbraw/zinc/69/59/82/180695982.db2.gz	MAPRYGMPVXSUIJ-UHFFFAOYSA-N	-1	0	300.266	2.418	50	10	biogenic	DECARM
O=C([O-])c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1	ZINC000000527599	304239971	/nfs/dbraw/zinc/23/99/71/304239971.db2.gz	NAKWTHAFJTTXNV-UHFFFAOYSA-N	-1	0	302.282	2.139	50	10		DECARM
CCC[C@@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000004540324	401726708	/nfs/dbraw/zinc/72/67/08/401726708.db2.gz	WHUNYSQHNABNEU-GFCCVEGCSA-N	-1	0	305.330	2.150	50	10		DECARM
CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000000044085	401687488	/nfs/dbraw/zinc/68/74/88/401687488.db2.gz	DVPCIHZZWJUPQF-BJOHPYRUSA-N	-1	0	319.357	2.396	50	10	biogenic	DECARM
O=C([O-])CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001210154	401704782	/nfs/dbraw/zinc/70/47/82/401704782.db2.gz	IAZBFDQQOLGJTA-YFHOEESVSA-N	-1	0	309.368	2.068	50	10		DECARM
O=S(=O)([O-])c1ccc(N=NN2CCOCC2)c2ccccc21	ZINC000252612768	402659709	/nfs/dbraw/zinc/65/97/09/402659709.db2.gz	IWBGQCRUYKSWJY-UHFFFAOYSA-N	-1	0	321.358	2.417	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002437066	287512868	/nfs/dbraw/zinc/51/28/68/287512868.db2.gz	XTGUPMZDWXYAEP-SBMLRHLQSA-N	-1	0	310.400	2.090	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000016309551	683854681	/nfs/dbraw/zinc/85/46/81/683854681.db2.gz	HSPAHAVYGSHMQY-UVTDQMKNSA-N	-1	0	308.293	2.059	50	10		DECARM
CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C)C(=O)[O-]	ZINC000004039466	181066122	/nfs/dbraw/zinc/06/61/22/181066122.db2.gz	BFBKOIIDFSEFDL-VIFPVBQESA-N	-1	0	305.330	2.014	50	10	biogenic	DECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	ZINC000004784453	181152088	/nfs/dbraw/zinc/15/20/88/181152088.db2.gz	ZUHLOKNILGGVCY-VSUWBIFXSA-N	-1	0	309.368	2.067	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000005873265	181292291	/nfs/dbraw/zinc/29/22/91/181292291.db2.gz	VVMYOSGTEGHMQY-KAMYIIQDSA-N	-1	0	307.309	2.265	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2F)SC1=S	ZINC000006210121	181319526	/nfs/dbraw/zinc/31/95/26/181319526.db2.gz	XTJYHUVTGMBJGK-RUDMXATFSA-N	-1	0	315.322	2.251	50	10		DECARM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C(C(=O)OC)=C1C	ZINC000003462612	285150248	/nfs/dbraw/zinc/15/02/48/285150248.db2.gz	NHYTYYJIUXWYNA-LCYFTJDESA-N	-1	0	315.325	2.077	50	10		DECARM
CC(C)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000005006874	278021519	/nfs/dbraw/zinc/02/15/19/278021519.db2.gz	QBUYKOZYEWTORS-UHFFFAOYSA-N	-1	0	303.274	2.308	50	10		DECARM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000004482975	181112701	/nfs/dbraw/zinc/11/27/01/181112701.db2.gz	AOEJRFGNFVCDHD-MXBGMFSPSA-N	-1	0	324.427	2.480	50	10		DECARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005690110	280186826	/nfs/dbraw/zinc/18/68/26/280186826.db2.gz	SENGJYWBFIKNOC-PFEDMVJOSA-N	-1	0	324.427	2.336	50	10		DECARM
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cccc(F)c21	ZINC000035571869	280296925	/nfs/dbraw/zinc/29/69/25/280296925.db2.gz	HHVCPFPQGGJPGY-ZDUSSCGKSA-N	-1	0	303.249	2.294	50	10		DECARM
Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](CC(C)C)C(=O)[O-]	ZINC000000044087	301068704	/nfs/dbraw/zinc/06/87/04/301068704.db2.gz	YPJLUCAXHFPZJD-CYBMUJFWSA-N	-1	0	319.357	2.396	50	10	biogenic	DECARM
CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C)C(=O)[O-]	ZINC000004039469	181066089	/nfs/dbraw/zinc/06/60/89/181066089.db2.gz	BFBKOIIDFSEFDL-SECBINFHSA-N	-1	0	305.330	2.014	50	10	biogenic	DECARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccco1	ZINC000000084725	401687864	/nfs/dbraw/zinc/68/78/64/401687864.db2.gz	XJUWAYOSEKJPQV-CSKARUKUSA-N	-1	0	300.245	2.085	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000008643369	401754504	/nfs/dbraw/zinc/75/45/04/401754504.db2.gz	ZUVZZNBYZGLVRK-YAEJEKNGSA-N	-1	0	322.411	2.392	50	10		DECARM
Cc1ccc(N2C(=O)/C(=C\c3ccco3)C(=O)[N-]C2=S)cc1	ZINC000006798482	278816577	/nfs/dbraw/zinc/81/65/77/278816577.db2.gz	TWJIGPQEUWZACZ-LCYFTJDESA-N	-1	0	312.350	2.419	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S	ZINC000070039531	190852673	/nfs/dbraw/zinc/85/26/73/190852673.db2.gz	WMCIGMRIXSBGGM-OQFOIZHKSA-N	-1	0	315.322	2.251	50	10		DECARM
COc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O	ZINC000001449241	401708006	/nfs/dbraw/zinc/70/80/06/401708006.db2.gz	JFEIZQQPGKDPTD-DHZHZOJOSA-N	-1	0	323.395	2.371	50	10		DECARM
O=c1oc2c(ccc([O-])c2CN2CCOCC2)c2ccccc12	ZINC000019789530	285228034	/nfs/dbraw/zinc/22/80/34/285228034.db2.gz	KCLFRHGSQKKHMU-UHFFFAOYSA-N	-1	0	311.337	2.484	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000000967132	401703377	/nfs/dbraw/zinc/70/33/77/401703377.db2.gz	OLKBAHLYXLYVPC-JXMROGBWSA-N	-1	0	308.384	2.148	50	10		DECARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c2ccccc21	ZINC000001271952	401705365	/nfs/dbraw/zinc/70/53/65/401705365.db2.gz	AKMLIQOIZFAZQX-UKTHLTGXSA-N	-1	0	311.341	2.347	50	10		DECARM
CC[C@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019595304	401822245	/nfs/dbraw/zinc/82/22/45/401822245.db2.gz	FXTNOTQQCLWVSR-RILYUOAZSA-N	-1	0	321.764	2.195	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccco1	ZINC000000440986	683830461	/nfs/dbraw/zinc/83/04/61/683830461.db2.gz	VUBQAJDQFPQSDV-JYRVWZFOSA-N	-1	0	314.272	2.081	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\C=C\c1ccccc1	ZINC000015800165	683852862	/nfs/dbraw/zinc/85/28/62/683852862.db2.gz	OLQILXDIRKPXFU-VVGDYKIKSA-N	-1	0	322.320	2.498	50	10		DECARM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1	ZINC000000176889	401689198	/nfs/dbraw/zinc/68/91/98/401689198.db2.gz	BMXPJZMXJXORAZ-XNTDXEJSSA-N	-1	0	312.300	2.296	50	10		DECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000000179637	401689235	/nfs/dbraw/zinc/68/92/35/401689235.db2.gz	GYUSCFXBCDVVCO-XNTDXEJSSA-N	-1	0	322.320	2.367	50	10		DECARM
CCOc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000008023099	401747615	/nfs/dbraw/zinc/74/76/15/401747615.db2.gz	PDSOOZJVHBSURE-YRNVUSSQSA-N	-1	0	323.395	2.371	50	10		DECARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)o1	ZINC000000453905	683830246	/nfs/dbraw/zinc/83/02/46/683830246.db2.gz	PWEZDEWIFUSBBL-LCYFTJDESA-N	-1	0	302.330	2.383	50	10		DECARM
C=C(c1ccc(O)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000002700357	401717243	/nfs/dbraw/zinc/71/72/43/401717243.db2.gz	UGGDEUINYPHAPB-WQLSENKSSA-N	-1	0	323.395	2.458	50	10		DECARM
CC(=O)Oc1ccc(-n2c(=O)cc([O-])n2-c2ccccc2)cc1	ZINC000101360045	402144727	/nfs/dbraw/zinc/14/47/27/402144727.db2.gz	PQBXRMFIUIHUPG-UHFFFAOYSA-N	-1	0	310.309	2.297	50	10		DECARM
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000012504543	181768594	/nfs/dbraw/zinc/76/85/94/181768594.db2.gz	FDOAJULQLDZKDQ-XFFZJAGNSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C([O-])c1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1	ZINC000039393053	183018235	/nfs/dbraw/zinc/01/82/35/183018235.db2.gz	MSGHIVSJJJIWLD-UHFFFAOYSA-N	-1	0	318.285	2.359	50	10		DECARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000007366937	401739007	/nfs/dbraw/zinc/73/90/07/401739007.db2.gz	JIWWXAULDDRSAV-SDNWHVSQSA-N	-1	0	323.377	2.430	50	10		DECARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)o1	ZINC000000255923	401692486	/nfs/dbraw/zinc/69/24/86/401692486.db2.gz	PNCNVDQFUZRLCP-JYRVWZFOSA-N	-1	0	314.272	2.394	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000001322431	401705152	/nfs/dbraw/zinc/70/51/52/401705152.db2.gz	PFEOKQKYEJFZNV-WZUFQYTHSA-N	-1	0	318.379	2.454	50	10	biogenic	DECARM
COC(=O)N=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)s1	ZINC000008716939	401755617	/nfs/dbraw/zinc/75/56/17/401755617.db2.gz	IOZHQYTXEUCSBT-UHFFFAOYSA-N	-1	0	319.349	2.232	50	10		DECARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1	ZINC000013111252	401796709	/nfs/dbraw/zinc/79/67/09/401796709.db2.gz	WNBRROQPFNUFHI-GDNBJRDFSA-N	-1	0	323.352	2.186	50	10		DECARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C)c2nonc21	ZINC000032579212	401879914	/nfs/dbraw/zinc/87/99/14/401879914.db2.gz	KOGLBKHGGRNBHR-UHFFFAOYSA-N	-1	0	319.342	2.341	50	10		DECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccnc2)SC1=S	ZINC000005809241	286747100	/nfs/dbraw/zinc/74/71/00/286747100.db2.gz	DLJAWAOAHJQVKI-CMWXKVOJSA-N	-1	0	308.384	2.146	50	10		DECARM
CSc1ccc(C=C2SC(NCC(=O)[O-])=NC2=O)cc1	ZINC000006762862	181384740	/nfs/dbraw/zinc/38/47/40/181384740.db2.gz	RITJTXWJDLMHGP-UXBLZVDNSA-N	-1	0	308.384	2.053	50	10		DECARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OC)c1	ZINC000016215427	182037410	/nfs/dbraw/zinc/03/74/10/182037410.db2.gz	PBMKCAWMIBFDTC-GDNBJRDFSA-N	-1	0	324.336	2.165	50	10		DECARM
CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000000044084	401687464	/nfs/dbraw/zinc/68/74/64/401687464.db2.gz	DVPCIHZZWJUPQF-RFAUZJTJSA-N	-1	0	319.357	2.396	50	10	biogenic	DECARM
CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000000044082	401687564	/nfs/dbraw/zinc/68/75/64/401687564.db2.gz	DVPCIHZZWJUPQF-PSLIRLAXSA-N	-1	0	319.357	2.396	50	10		DECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000001233419	401704766	/nfs/dbraw/zinc/70/47/66/401704766.db2.gz	XPAJBTDFNXLVLL-UHFFFAOYSA-N	-1	0	302.242	2.251	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(F)cc2F)SC1=S	ZINC000013362978	401799250	/nfs/dbraw/zinc/79/92/50/401799250.db2.gz	WMCIGMRIXSBGGM-YCRREMRBSA-N	-1	0	315.322	2.251	50	10		DECARM
CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2c[nH]c3ccccc23)C1=O	ZINC000009360407	401761633	/nfs/dbraw/zinc/76/16/33/401761633.db2.gz	JTBSTMPPMLOUSX-XYOKQWHBSA-N	-1	0	311.341	2.428	50	10		DECARM
COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1	ZINC000033377535	295053405	/nfs/dbraw/zinc/05/34/05/295053405.db2.gz	YBNLZBUAKSWHPM-XAPLUZPNSA-N	-1	0	323.395	2.370	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000000312500	683830321	/nfs/dbraw/zinc/83/03/21/683830321.db2.gz	RBKBUIPTTXFLBP-XNTDXEJSSA-N	-1	0	324.311	2.488	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000001304735	304048511	/nfs/dbraw/zinc/04/85/11/304048511.db2.gz	AYYVOLPEHTXSEV-DHZHZOJOSA-N	-1	0	323.395	2.458	50	10		DECARM
COc1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1	ZINC000015799705	182018540	/nfs/dbraw/zinc/01/85/40/182018540.db2.gz	YUHRKYBXPWGLKT-DHDCSXOGSA-N	-1	0	311.341	2.283	50	10		DECARM
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000015010455	276378522	/nfs/dbraw/zinc/37/85/22/276378522.db2.gz	ACMXPNRLFQDFCB-GXDHUFHOSA-N	-1	0	324.336	2.330	50	10		DECARM
Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])C(C)C	ZINC000000042871	301068688	/nfs/dbraw/zinc/06/86/88/301068688.db2.gz	BBBNNWXWIBURGZ-CQSZACIVSA-N	-1	0	305.330	2.006	50	10	biogenic	DECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000016667452	683854664	/nfs/dbraw/zinc/85/46/64/683854664.db2.gz	NBOYFLJLFHYRSJ-UVTDQMKNSA-N	-1	0	309.281	2.056	50	10		DECARM
COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2	ZINC000000038866	180674857	/nfs/dbraw/zinc/67/48/57/180674857.db2.gz	PKDXWVDJPOIGCX-UHFFFAOYSA-N	-1	0	311.359	2.217	50	10		DECARM
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000004756609	181148817	/nfs/dbraw/zinc/14/88/17/181148817.db2.gz	ZUOQSYLYVSHUJZ-UHFFFAOYSA-N	-1	0	317.326	2.226	50	10		DECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	ZINC000004784450	181151930	/nfs/dbraw/zinc/15/19/30/181151930.db2.gz	ZUHLOKNILGGVCY-FSEMZKDTSA-N	-1	0	309.368	2.067	50	10		DECARM
O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc2nonc21	ZINC000017032228	182070116	/nfs/dbraw/zinc/07/01/16/182070116.db2.gz	PTUSHTUASNSGCI-UHFFFAOYSA-N	-1	0	311.269	2.302	50	10		DECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccc(O)c1	ZINC000012428829	401785550	/nfs/dbraw/zinc/78/55/50/401785550.db2.gz	UVSLSWVQZRLISI-GXDHUFHOSA-N	-1	0	314.341	2.187	50	10		DECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000000053843	304679552	/nfs/dbraw/zinc/67/95/52/304679552.db2.gz	ADLWVYMZZIAYDP-ZROIWOOFSA-N	-1	0	300.264	2.426	50	10		DECARM
O=C([O-])CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S	ZINC000001210153	180849865	/nfs/dbraw/zinc/84/98/65/180849865.db2.gz	IAZBFDQQOLGJTA-JXMROGBWSA-N	-1	0	309.368	2.068	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000004579452	181126791	/nfs/dbraw/zinc/12/67/91/181126791.db2.gz	FGFGJUUMGYANSW-ZSOIEALJSA-N	-1	0	322.320	2.185	50	10		DECARM
COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)[O-])C1=O	ZINC000001203233	401704457	/nfs/dbraw/zinc/70/44/57/401704457.db2.gz	IWDBBBIBRNNGFL-CLUBXZQOSA-N	-1	0	323.395	2.370	50	10		DECARM
O=S(=O)([O-])c1ccc(/N=N/N2CCOCC2)c2ccccc21	ZINC000001770798	401710492	/nfs/dbraw/zinc/71/04/92/401710492.db2.gz	IWBGQCRUYKSWJY-FOCLMDBBSA-N	-1	0	321.358	2.417	50	10		DECARM
CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+]CCC(=O)[O-]	ZINC000035686310	401900821	/nfs/dbraw/zinc/90/08/21/401900821.db2.gz	LOERYZYCNMBUJE-UHFFFAOYSA-N	-1	0	305.330	2.015	50	10		DECARM
COc1cc(OC)cc(C(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000004822874	181157327	/nfs/dbraw/zinc/15/73/27/181157327.db2.gz	WUMHJCCRQGYHEQ-UHFFFAOYSA-N	-1	0	317.297	2.360	50	10		DECARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccs1	ZINC000005007774	181189802	/nfs/dbraw/zinc/18/98/02/181189802.db2.gz	MCGWRRXJWLTQRH-XFFZJAGNSA-N	-1	0	302.311	2.003	50	10		DECARM
CCCCCCN1C(=O)[N-]C(=O)C(=CNN2CCCCC2)C1=O	ZINC000006782978	181387481	/nfs/dbraw/zinc/38/74/81/181387481.db2.gz	NHURXBNYOXGHSZ-SEYXRHQNSA-N	-1	0	322.409	2.360	50	10		DECARM
CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000012579470	181778660	/nfs/dbraw/zinc/77/86/60/181778660.db2.gz	NQCAEFWJMWHHDD-XFFZJAGNSA-N	-1	0	322.411	2.038	50	10		DECARM
COc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1OC	ZINC000004040721	181065958	/nfs/dbraw/zinc/06/59/58/181065958.db2.gz	KVWSTVZNCFZFPZ-UHFFFAOYSA-N	-1	0	317.297	2.360	50	10	biogenic	DECARM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cccc(F)c21	ZINC000035571866	296394562	/nfs/dbraw/zinc/39/45/62/296394562.db2.gz	HHVCPFPQGGJPGY-CYBMUJFWSA-N	-1	0	303.249	2.294	50	10		DECARM
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000000207285	401690649	/nfs/dbraw/zinc/69/06/49/401690649.db2.gz	AJXPXSKUYLKYSJ-UHFFFAOYSA-N	-1	0	307.327	2.200	50	10		DECARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000000560972	401701032	/nfs/dbraw/zinc/70/10/32/401701032.db2.gz	XXWVYYCMGIGOAL-GXDHUFHOSA-N	-1	0	322.320	2.367	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccncc2)SC1=S	ZINC000001247098	401704545	/nfs/dbraw/zinc/70/45/45/401704545.db2.gz	MRCAWGPDHXLKBL-CSKARUKUSA-N	-1	0	308.384	2.148	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000001322430	401705305	/nfs/dbraw/zinc/70/53/05/401705305.db2.gz	PFEOKQKYEJFZNV-VZUCSPMQSA-N	-1	0	318.379	2.454	50	10		DECARM
CCOc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000013343664	401798690	/nfs/dbraw/zinc/79/86/90/401798690.db2.gz	CPKVKZNOKHWUPD-XFFZJAGNSA-N	-1	0	323.395	2.371	50	10		DECARM
COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)c1	ZINC000012381000	401784383	/nfs/dbraw/zinc/78/43/83/401784383.db2.gz	FJIUKWTXHQDLEI-LBTPYSACSA-N	-1	0	323.395	2.370	50	10		DECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000004813892	298215606	/nfs/dbraw/zinc/21/56/06/298215606.db2.gz	NOXFPQYJWMPYFL-VSUWBIFXSA-N	-1	0	309.368	2.067	50	10		DECARM
Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])C(C)C	ZINC000000042870	301068643	/nfs/dbraw/zinc/06/86/43/301068643.db2.gz	BBBNNWXWIBURGZ-AWEZNQCLSA-N	-1	0	305.330	2.006	50	10		DECARM
COc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000000090183	401688019	/nfs/dbraw/zinc/68/80/19/401688019.db2.gz	YPZXIVBOAZUHKQ-GXDHUFHOSA-N	-1	0	312.300	2.296	50	10		DECARM
C[C@H](NC=C1C(=O)[N-]C(=O)N(C(C)(C)C)C1=O)c1ccccc1	ZINC000002361501	401713399	/nfs/dbraw/zinc/71/33/99/401713399.db2.gz	LLHBQQYQBGAJLK-KBICQTFXSA-N	-1	0	315.373	2.098	50	10		DECARM
COc1cccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)c1	ZINC000012504550	401787255	/nfs/dbraw/zinc/78/72/55/401787255.db2.gz	WCTOQHZQAPZILK-FLIBITNWSA-N	-1	0	323.395	2.371	50	10		DECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001304741	298215408	/nfs/dbraw/zinc/21/54/08/298215408.db2.gz	NOXFPQYJWMPYFL-LWYMYGMPSA-N	-1	0	309.368	2.067	50	10		DECARM
O=c1c(-c2nncn2-c2ccccc2)coc2c(O)c([O-])ccc12	ZINC000005927564	635174668	/nfs/dbraw/zinc/17/46/68/635174668.db2.gz	RFNFVFZQCMAQJC-UHFFFAOYSA-N	-1	0	321.292	2.452	50	10		DECARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(F)c(F)c2)SC1=S	ZINC000021937240	182299213	/nfs/dbraw/zinc/29/92/13/182299213.db2.gz	SBJDLOSBYYUIEX-RUDMXATFSA-N	-1	0	315.322	2.251	50	10		DECARM
CS(=O)(=O)Nc1cc(Cl)c([O-])c(Br)c1	ZINC000003055262	401721439	/nfs/dbraw/zinc/72/14/39/401721439.db2.gz	VQASFVXIDOMRQW-UHFFFAOYSA-N	-1	0	300.561	2.180	50	10		DECARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNC1CC1	ZINC000005771205	401730798	/nfs/dbraw/zinc/73/07/98/401730798.db2.gz	BJPNOXNTSMRJPS-GXDHUFHOSA-N	-1	0	321.336	2.059	50	10		DECARM
COc1ccc(OC)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000000088358	401688048	/nfs/dbraw/zinc/68/80/48/401688048.db2.gz	MCTVFDWTRXLOPK-RVDMUPIBSA-N	-1	0	324.336	2.165	50	10		DECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000001805088	401711103	/nfs/dbraw/zinc/71/11/03/401711103.db2.gz	DLJAWAOAHJQVKI-WPVMNKCKSA-N	-1	0	308.384	2.146	50	10		DECARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000002377116	401713513	/nfs/dbraw/zinc/71/35/13/401713513.db2.gz	SENGJYWBFIKNOC-BRNRAETOSA-N	-1	0	324.427	2.336	50	10		DECARM
C[C@@H](C(=O)[O-])N1C(=O)C(=CNc2ccccc2)SC1=S	ZINC000016134365	401819063	/nfs/dbraw/zinc/81/90/63/401819063.db2.gz	UVVSUPAFRDSLTD-VKHJRQFRSA-N	-1	0	308.384	2.273	50	10		DECARM
CCCCNC=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000019595255	683858570	/nfs/dbraw/zinc/85/85/70/683858570.db2.gz	PCMOUIWKTBZCCB-BENRWUELSA-N	-1	0	317.414	2.016	50	10		DECARM
O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccnc1	ZINC000095395400	185352609	/nfs/dbraw/zinc/35/26/09/185352609.db2.gz	OUXLWHACOYFADZ-UHFFFAOYSA-N	-1	0	303.387	2.483	50	10		DECARM
CCCCN1C(=O)[N-]C(=O)C(=CC=CNc2ccccc2)C1=O	ZINC000004834363	181159434	/nfs/dbraw/zinc/15/94/34/181159434.db2.gz	DPBIEKPFFACCOR-PVGDTAGZSA-N	-1	0	313.357	2.417	50	10	aggregator	DECARM
CCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002903338	401720278	/nfs/dbraw/zinc/72/02/78/401720278.db2.gz	VYODCSBWLNPEID-UHFFFAOYSA-N	-1	0	322.748	2.268	50	10		DECARM
CCOc1ccccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000000967111	401703300	/nfs/dbraw/zinc/70/33/00/401703300.db2.gz	CPKVKZNOKHWUPD-YRNVUSSQSA-N	-1	0	323.395	2.371	50	10		DECARM
O=C([O-])CCCN1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000000967133	401703552	/nfs/dbraw/zinc/70/35/52/401703552.db2.gz	OLKBAHLYXLYVPC-YFHOEESVSA-N	-1	0	308.384	2.148	50	10		DECARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)o1	ZINC000013774720	401804645	/nfs/dbraw/zinc/80/46/45/401804645.db2.gz	PKLBYWFWXRKLCI-DHZHZOJOSA-N	-1	0	314.272	2.394	50	10		DECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)c1	ZINC000002847681	624880016	/nfs/dbraw/zinc/88/00/16/624880016.db2.gz	RXJUXDQSCXUYDJ-XNTDXEJSSA-N	-1	0	322.320	2.367	50	10		DECARM
O=C1[N-]C(=O)C(=CNc2ccccc2Oc2ccccc2)C(=O)N1	ZINC000004815402	181156092	/nfs/dbraw/zinc/15/60/92/181156092.db2.gz	IRUATXBTKACJDU-UHFFFAOYSA-N	-1	0	323.308	2.141	50	10		DECARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc[nH]1	ZINC000004833568	401727560	/nfs/dbraw/zinc/72/75/60/401727560.db2.gz	UUBZQWQXGGPPIQ-XYOKQWHBSA-N	-1	0	315.716	2.335	50	10		DECARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000000274241	401692839	/nfs/dbraw/zinc/69/28/39/401692839.db2.gz	UDGCXOBIXOVSQB-XNTDXEJSSA-N	-1	0	323.308	2.365	50	10		DECARM
CC[C@@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019595303	401822228	/nfs/dbraw/zinc/82/22/28/401822228.db2.gz	FXTNOTQQCLWVSR-ZPBHHCQCSA-N	-1	0	321.764	2.195	50	10		DECARM
Cn1[n-]c(C(F)(F)F)c(C=Nc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000100271383	402140619	/nfs/dbraw/zinc/14/06/19/402140619.db2.gz	SHKUTDMBLUQFLD-TWGQIWQCSA-N	-1	0	314.223	2.281	50	10		DECARM
COCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1	ZINC000192628819	402740876	/nfs/dbraw/zinc/74/08/76/402740876.db2.gz	KKUFVWQVBADILV-UHFFFAOYSA-N	-1	0	319.382	2.306	50	10		DECARM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000004482974	181112817	/nfs/dbraw/zinc/11/28/17/181112817.db2.gz	AOEJRFGNFVCDHD-NGPGYTDTSA-N	-1	0	324.427	2.480	50	10		DECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1	ZINC000004704559	134464025	/nfs/dbraw/zinc/46/40/25/134464025.db2.gz	VMUVOOZHUQBADT-GXDHUFHOSA-N	-1	0	322.320	2.367	50	10		DECARM
Cc1cc2oc(=O)c3c(c2c([O-])c1CN1CCOCC1)CCC3	ZINC000028120530	292026846	/nfs/dbraw/zinc/02/68/46/292026846.db2.gz	VIGUYXQJHGSFMZ-UHFFFAOYSA-N	-1	0	315.369	2.128	50	10		DECARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccco1	ZINC000005124227	401728902	/nfs/dbraw/zinc/72/89/02/401728902.db2.gz	XJUWAYOSEKJPQV-NTMALXAHSA-N	-1	0	300.245	2.085	50	10		DECARM
CC(C)(C)n1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cn1	ZINC000048165229	424829946	/nfs/dbraw/zinc/82/99/46/424829946.db2.gz	OZLZNTAQLIYWCE-UHFFFAOYSA-N	-1	0	318.333	2.182	50	10		DECARM
O=C1c2ccc(S(=O)(=O)[O-])cc2C(=O)c2c(Cl)cccc21	ZINC000004091246	304720949	/nfs/dbraw/zinc/72/09/49/304720949.db2.gz	UJMQCUZUODEOSA-UHFFFAOYSA-N	-1	0	322.725	2.362	50	10		DECARM
COc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)[O-])C1=O	ZINC000016711892	182058902	/nfs/dbraw/zinc/05/89/02/182058902.db2.gz	IWDBBBIBRNNGFL-XAPLUZPNSA-N	-1	0	323.395	2.370	50	10		DECARM
O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1cccnc1	ZINC000007621561	304253918	/nfs/dbraw/zinc/25/39/18/304253918.db2.gz	QMVJAVHRGCJUBD-XYOKQWHBSA-N	-1	0	319.320	2.434	50	10		DECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	ZINC000001213687	401704672	/nfs/dbraw/zinc/70/46/72/401704672.db2.gz	ZUHLOKNILGGVCY-LOBLAWFCSA-N	-1	0	309.368	2.067	50	10		DECARM
O=C1[N-]C(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)N1	ZINC000006923356	181406590	/nfs/dbraw/zinc/40/65/90/181406590.db2.gz	IJXRSDUOZQPDBC-UHFFFAOYSA-N	-1	0	322.324	2.092	50	10		DECARM
O=C([O-])c1cccnc1SCC(=O)c1ccc(O)c(O)c1	ZINC000008716966	401755895	/nfs/dbraw/zinc/75/58/95/401755895.db2.gz	CUODTAWCYUYGQR-UHFFFAOYSA-N	-1	0	305.311	2.166	50	10		DECARM
C[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-]	ZINC000028358758	401851719	/nfs/dbraw/zinc/85/17/19/401851719.db2.gz	QWHQRWSTIDVINF-VIFPVBQESA-N	-1	0	313.309	2.215	50	10		DECARM
Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c(O)c1	ZINC000036622475	401905845	/nfs/dbraw/zinc/90/58/45/401905845.db2.gz	KRVNHFREQLCMMA-UHFFFAOYSA-N	-1	0	302.286	2.244	50	10		DECARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O	ZINC000004471460	633514640	/nfs/dbraw/zinc/51/46/40/633514640.db2.gz	COVHEPMKUOKWST-WQLSENKSSA-N	-1	0	314.272	2.177	50	10		DECARM