smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000004171163	347990445	/nfs/dbraw/zinc/99/04/45/347990445.db2.gz	GRJWYIVHIDHKQG-FOCLMDBBSA-N	-1	0	275.224	0.759	50	10		CCCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1O	ZINC000006580546	286216501	/nfs/dbraw/zinc/21/65/01/286216501.db2.gz	MVFZWMSDIKIREW-UHFFFAOYSA-N	-1	0	296.666	0.804	50	10		CCCARM
CCCCN1C(=O)[N-]C(=O)/C(=C\NN2CCCCC2)C1=O	ZINC000008995861	170360846	/nfs/dbraw/zinc/36/08/46/170360846.db2.gz	HEIPSZANSSOESI-ZHACJKMWSA-N	-1	0	294.355	0.739	50	10		CCCARM
O=C([O-])C[NH+](CC(=O)[O-])Cc1ccc(O)cc1O	ZINC000000968695	304066050	/nfs/dbraw/zinc/06/60/50/304066050.db2.gz	RUJCPBLFBWDYRR-UHFFFAOYSA-N	-1	0	255.226	0.069	50	10		CCCARM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000006145621	170179399	/nfs/dbraw/zinc/17/93/99/170179399.db2.gz	OKMLSCGJLAXVCB-UHFFFAOYSA-N	-1	0	291.263	0.366	50	10		CCCARM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000008486493	170337810	/nfs/dbraw/zinc/33/78/10/170337810.db2.gz	KSTAFRMICZPUCX-UHFFFAOYSA-N	-1	0	289.247	0.135	50	10		CCCARM
COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002964066	277157962	/nfs/dbraw/zinc/15/79/62/277157962.db2.gz	NZRUMQCDFMHHKU-UHFFFAOYSA-N	-1	0	274.232	0.223	50	10		CCCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC	ZINC000002950122	326802579	/nfs/dbraw/zinc/80/25/79/326802579.db2.gz	AZWPULIHIOFCGF-UHFFFAOYSA-N	-1	0	290.275	0.843	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000100832123	349659436	/nfs/dbraw/zinc/65/94/36/349659436.db2.gz	YQWYDXGGJMXLEO-RMKNXTFCSA-N	-1	0	263.228	0.830	50	10		CCCARM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1O	ZINC000005606175	170119383	/nfs/dbraw/zinc/11/93/83/170119383.db2.gz	BZXMJGKFAKXQDA-UHFFFAOYSA-N	-1	0	262.221	0.150	50	10		CCCARM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006580233	170215224	/nfs/dbraw/zinc/21/52/24/170215224.db2.gz	AEZBGIWXDYPBIA-UHFFFAOYSA-N	-1	0	289.247	0.135	50	10		CCCARM
CS(C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000013739370	348029997	/nfs/dbraw/zinc/02/99/97/348029997.db2.gz	WBWLUMYOBKMJKZ-UHFFFAOYSA-N	-1	0	264.306	0.970	50	10		CCCARM
COc1ccccc1NC[C@H](O)CN(C)S(=O)(=O)[O-]	ZINC000022205795	171372684	/nfs/dbraw/zinc/37/26/84/171372684.db2.gz	KKFRQERDCLDZNB-VIFPVBQESA-N	-1	0	290.341	0.203	50	10		CCCARM
CC(=O)N/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000006450998	136394478	/nfs/dbraw/zinc/39/44/78/136394478.db2.gz	DXZLLIVBHJMVAI-XFFZJAGNSA-N	-1	0	287.275	0.598	50	10		CCCARM
O=C1[N-]C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000252614482	352521142	/nfs/dbraw/zinc/52/11/42/352521142.db2.gz	JKDKZPYCVQEDIA-UHFFFAOYSA-N	-1	0	277.196	0.413	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N1	ZINC000003123757	296354828	/nfs/dbraw/zinc/35/48/28/296354828.db2.gz	XSWXMDJBCOKKIJ-UHFFFAOYSA-N	-1	0	251.154	0.778	50	10		CCCARM
CC(C)C[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716043	279192126	/nfs/dbraw/zinc/19/21/26/279192126.db2.gz	FJVXDYWWEKHGBY-VIFPVBQESA-N	-1	0	285.296	0.795	50	10		CCCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1OC	ZINC000000440849	623151486	/nfs/dbraw/zinc/15/14/86/623151486.db2.gz	DVMKIVJJMMQECB-RMKNXTFCSA-N	-1	0	290.275	0.795	50	10		CCCARM
CC(=O)C(N=Nc1cccc2c(=O)[nH][n-]c(=O)c12)=C(C)O	ZINC000100082297	349655237	/nfs/dbraw/zinc/65/52/37/349655237.db2.gz	XWZORHXCJSIQCY-CCEZHUSRSA-N	-1	0	288.263	0.847	50	10		CCCARM
CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002825185	347973691	/nfs/dbraw/zinc/97/36/91/347973691.db2.gz	ZSAWWTRUEQEZOE-UHFFFAOYSA-N	-1	0	288.259	0.751	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccc(O)c(Cl)c2)C(=O)N1	ZINC000018272337	348057435	/nfs/dbraw/zinc/05/74/35/348057435.db2.gz	UZNUYGJARFRSRJ-UHFFFAOYSA-N	-1	0	266.640	0.795	50	10		CCCARM
O=C1NC(=S)NC(=O)C1=CNNc1ccc(Cl)cc1	ZINC000005544534	170111356	/nfs/dbraw/zinc/11/13/56/170111356.db2.gz	YDVMRZNXDBQXSG-UHFFFAOYSA-N	-1	0	296.739	0.671	50	10		CCCARM
CC(=O)N/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000109311819	411700794	/nfs/dbraw/zinc/70/07/94/411700794.db2.gz	DXZLLIVBHJMVAI-YRNVUSSQSA-N	-1	0	287.275	0.598	50	10		CCCARM
O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c([O-])c12	ZINC000013152238	304819576	/nfs/dbraw/zinc/81/95/76/304819576.db2.gz	VYKVZHXHVUVABA-UHFFFAOYSA-N	-1	0	278.172	0.722	50	10	in-vitro	CCCARM
CC1(C)OC(=O)C(=CNCCCC(=O)[O-])C(=O)O1	ZINC000100011756	349654587	/nfs/dbraw/zinc/65/45/87/349654587.db2.gz	IHFZSOAVVJXBFZ-UHFFFAOYSA-N	-1	0	257.242	0.161	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2cc3ccccc3[nH]c2=O)C(=O)N1	ZINC000012360306	388780667	/nfs/dbraw/zinc/78/06/67/388780667.db2.gz	VVYOCRDLWUYICO-UHFFFAOYSA-N	-1	0	283.243	0.690	50	10		CCCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000002990246	347976048	/nfs/dbraw/zinc/97/60/48/347976048.db2.gz	WRDNERJLKNVCRJ-JXMROGBWSA-N	-1	0	259.265	0.999	50	10		CCCARM
O=C([O-])[C@@H]1CSC2(N1)C(=O)c1ccccc1C2=O	ZINC000004661040	304136790	/nfs/dbraw/zinc/13/67/90/304136790.db2.gz	DIMVCLYHJJRQHA-QMMMGPOBSA-N	-1	0	263.274	0.552	50	10		CCCARM
O=C1[N-]C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)N1	ZINC000002494909	136393807	/nfs/dbraw/zinc/39/38/07/136393807.db2.gz	RNHHUSWFOYGKKW-XFXZXTDPSA-N	-1	0	273.292	0.704	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2ccccc2[N+](=O)[O-])C(=O)N1	ZINC000003953344	347988392	/nfs/dbraw/zinc/98/83/92/347988392.db2.gz	DAEAMPRRTRIREQ-UHFFFAOYSA-N	-1	0	276.208	0.257	50	10		CCCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O	ZINC000017179760	348053721	/nfs/dbraw/zinc/05/37/21/348053721.db2.gz	HOHGWOUABYDGBN-UHFFFAOYSA-N	-1	0	262.221	0.991	50	10	biogenic	CCCARM
Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000252629225	352520817	/nfs/dbraw/zinc/52/08/17/352520817.db2.gz	UBPDTWKBVCHDJJ-UHFFFAOYSA-N	-1	0	282.285	0.348	50	10		CCCARM
O=C([O-])c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	ZINC000019201752	304263543	/nfs/dbraw/zinc/26/35/43/304263543.db2.gz	LEPFREQIUCAJCT-UHFFFAOYSA-N	-1	0	291.288	0.212	50	10		CCCARM
O=C1[N-]C(=O)C(=CNCc2ccc(Cl)cc2)C(=O)N1	ZINC000006975175	170259919	/nfs/dbraw/zinc/25/99/19/170259919.db2.gz	OXTGTYCBFSWTGQ-UHFFFAOYSA-N	-1	0	279.683	0.680	50	10		CCCARM
CN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000002889629	289790701	/nfs/dbraw/zinc/79/07/01/289790701.db2.gz	AQSYFFQBGWKBLD-UHFFFAOYSA-N	-1	0	288.259	0.819	50	10		CCCARM
NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000006093175	303219382	/nfs/dbraw/zinc/21/93/82/303219382.db2.gz	NOWRMDFJTJFMBQ-YVMONPNESA-N	-1	0	265.656	0.765	50	10		CCCARM
O=C1NC(=S)NC(=O)C1=CNNc1ccccc1	ZINC000005544529	170111341	/nfs/dbraw/zinc/11/13/41/170111341.db2.gz	RVROIMMQMYKUOW-UHFFFAOYSA-N	-1	0	262.294	0.018	50	10		CCCARM
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004132379	347990309	/nfs/dbraw/zinc/99/03/09/347990309.db2.gz	ILJBOVQNAKDIKN-KBVBSXBZSA-N	-1	0	294.332	0.872	50	10		CCCARM
CCN1C(=O)C(=CNCc2ccco2)C(=O)NC1=S	ZINC000006493571	170206805	/nfs/dbraw/zinc/20/68/05/170206805.db2.gz	RQVXZSLJYOHDQU-CLFYSBASSA-N	-1	0	279.321	0.516	50	10		CCCARM
Cn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cn1	ZINC000009254117	170368501	/nfs/dbraw/zinc/36/85/01/170368501.db2.gz	BQGRSERGDUDYOM-UQCOIBPSSA-N	-1	0	283.334	0.706	50	10		CCCARM
CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000003157623	276494985	/nfs/dbraw/zinc/49/49/85/276494985.db2.gz	CUPNAIUIJDQPFZ-UHFFFAOYSA-N	-1	0	260.249	0.835	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNCCSC(C)(C)C)C1=O	ZINC000100264385	349656875	/nfs/dbraw/zinc/65/68/75/349656875.db2.gz	QFHBDIJHQGKSPW-FPLPWBNLSA-N	-1	0	285.369	0.700	50	10		CCCARM
COc1ccc(N2CCN(C(=O)CC(=O)[O-])CC2)cc1	ZINC000002457431	347968027	/nfs/dbraw/zinc/96/80/27/347968027.db2.gz	TXMDZSUMROMCQL-UHFFFAOYSA-N	-1	0	278.308	0.819	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000017173872	348052676	/nfs/dbraw/zinc/05/26/76/348052676.db2.gz	UAEXTVNXNGJRSQ-UHFFFAOYSA-N	-1	0	276.208	0.257	50	10		CCCARM
O=C([O-])CCCn1nnc(-c2ccc(O)c(O)c2)n1	ZINC000034929296	348152762	/nfs/dbraw/zinc/15/27/62/348152762.db2.gz	XYKIUMUHDTZIEY-UHFFFAOYSA-N	-1	0	264.241	0.616	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2cccc3nccnc23)C(=O)N1	ZINC000012421356	296356415	/nfs/dbraw/zinc/35/64/15/296356415.db2.gz	XPIYSDYERGIJIC-UHFFFAOYSA-N	-1	0	268.232	0.379	50	10		CCCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNC1CC1	ZINC000005763788	170138566	/nfs/dbraw/zinc/13/85/66/170138566.db2.gz	QFHNELNGQWRCLJ-UXBLZVDNSA-N	-1	0	275.264	0.494	50	10		CCCARM
CN(C)c1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000253432647	352535578	/nfs/dbraw/zinc/53/55/78/352535578.db2.gz	MDXCTZFYAIHYDR-UHFFFAOYSA-N	-1	0	259.265	0.502	50	10		CCCARM
CCN1C(=O)C(=CNC2CCCC2)C(=O)NC1=S	ZINC000006493570	170206645	/nfs/dbraw/zinc/20/66/45/170206645.db2.gz	MTBUBFUGQFJRCG-VQHVLOKHSA-N	-1	0	267.354	0.666	50	10		CCCARM
O=C([O-])C[NH+](CC(=O)[O-])Cc1c(O)cccc1O	ZINC000002198697	169781259	/nfs/dbraw/zinc/78/12/59/169781259.db2.gz	ASBYVAMEWVUVNX-UHFFFAOYSA-N	-1	0	255.226	0.069	50	10		CCCARM
COc1cc(NC=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1	ZINC000006603379	170218277	/nfs/dbraw/zinc/21/82/77/170218277.db2.gz	VUEXMOWNKBBJJG-UHFFFAOYSA-N	-1	0	291.263	0.366	50	10		CCCARM
COc1ccc(CNC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006627029	170220002	/nfs/dbraw/zinc/22/00/02/170220002.db2.gz	BWOXSCWRHAOCHZ-UHFFFAOYSA-N	-1	0	275.264	0.035	50	10		CCCARM
COc1ccccc1NC[C@@H](O)CN(C)S(=O)(=O)[O-]	ZINC000022205792	171372432	/nfs/dbraw/zinc/37/24/32/171372432.db2.gz	KKFRQERDCLDZNB-SECBINFHSA-N	-1	0	290.341	0.203	50	10		CCCARM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1OC(C)=O	ZINC000005008633	170054649	/nfs/dbraw/zinc/05/46/49/170054649.db2.gz	NWCXEXSCWWUAAQ-LBPRGKRZSA-N	-1	0	290.275	0.884	50	10		CCCARM
CCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000019595374	651005193	/nfs/dbraw/zinc/00/51/93/651005193.db2.gz	BUYFACZZYKHDOJ-FLIBITNWSA-N	-1	0	273.292	0.758	50	10		CCCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2cccs2)C1=O	ZINC000096234398	389055657	/nfs/dbraw/zinc/05/56/57/389055657.db2.gz	AOCGBZAMIDZENI-VQHVLOKHSA-N	-1	0	280.305	0.856	50	10		CCCARM
CC[C@@H](C)[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716048	286808027	/nfs/dbraw/zinc/80/80/27/286808027.db2.gz	OXOCXUDGVVWWDB-APPZFPTMSA-N	-1	0	285.296	0.795	50	10		CCCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006022543	170169134	/nfs/dbraw/zinc/16/91/34/170169134.db2.gz	MFQWGZNRTCYCGT-UHFFFAOYSA-N	-1	0	288.263	0.307	50	10		CCCARM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1OC(C)=O	ZINC000100488748	349658013	/nfs/dbraw/zinc/65/80/13/349658013.db2.gz	NWCXEXSCWWUAAQ-GFCCVEGCSA-N	-1	0	290.275	0.884	50	10		CCCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O	ZINC000003157614	347979442	/nfs/dbraw/zinc/97/94/42/347979442.db2.gz	ISNXKBGOWQINKA-UHFFFAOYSA-N	-1	0	276.248	0.540	50	10		CCCARM
CCOC(=O)c1ccc(N=Nc2c(N)[nH][n-]c2=O)cc1	ZINC000252620845	352520786	/nfs/dbraw/zinc/52/07/86/352520786.db2.gz	MNHJFQMOBOBWAS-VIFPVBQESA-N	-1	0	275.268	0.718	50	10		CCCARM
CCO[C@@]1(O)C(=O)c2ccccc2C(=O)[C@@]1(O)OCC	ZINC000013788282	388787275	/nfs/dbraw/zinc/78/72/75/388787275.db2.gz	VLUBPIGVCFIODX-OKILXGFUSA-N	-1	0	280.276	0.516	50	10		CCCARM
CCNC=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000019595416	348065910	/nfs/dbraw/zinc/06/59/10/348065910.db2.gz	SRBCOGWPCIZVRX-HJWRWDBZSA-N	-1	0	289.291	0.771	50	10		CCCARM
Cc1cccc(C)c1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000003128947	388757701	/nfs/dbraw/zinc/75/77/01/388757701.db2.gz	BZKCWSYUOPVEFM-UHFFFAOYSA-N	-1	0	259.265	0.965	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2ccc(F)cc2F)C(=O)N1	ZINC000044965566	411634795	/nfs/dbraw/zinc/63/47/95/411634795.db2.gz	BIJLFCAAYAXPOM-UHFFFAOYSA-N	-1	0	267.191	0.627	50	10		CCCARM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006892435	326820361	/nfs/dbraw/zinc/82/03/61/326820361.db2.gz	APSGRZXRVULLEE-UHFFFAOYSA-N	-1	0	275.264	0.747	50	10		CCCARM
Cc1cccc2cc(C=C3C(=O)[N-]C(=O)NC3=O)c(=O)[nH]c12	ZINC000013121682	281315404	/nfs/dbraw/zinc/31/54/04/281315404.db2.gz	AKASBJPVJRPDCB-UHFFFAOYSA-N	-1	0	297.270	0.998	50	10		CCCARM
CC1(C)OC(=O)C(=CN2CCC[C@@H]2C(=O)[O-])C(=O)O1	ZINC000019908469	281398479	/nfs/dbraw/zinc/39/84/79/281398479.db2.gz	AAIYGRHJPHZION-MRVPVSSYSA-N	-1	0	269.253	0.255	50	10		CCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000004815257	326812335	/nfs/dbraw/zinc/81/23/35/326812335.db2.gz	JDXMQMFUMIPHFW-XQRVVYSFSA-N	-1	0	265.181	0.279	50	10		CCCARM
CC[C@H](C)[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716051	349659134	/nfs/dbraw/zinc/65/91/34/349659134.db2.gz	OXOCXUDGVVWWDB-CBAPKCEASA-N	-1	0	285.296	0.795	50	10		CCCARM
CCCCN1C(=O)[N-]C(=O)/C(=C/NN2CCCCC2)C1=O	ZINC000020023942	348075815	/nfs/dbraw/zinc/07/58/15/348075815.db2.gz	HEIPSZANSSOESI-KHPPLWFESA-N	-1	0	294.355	0.739	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNN2CCCCC2)C1=O	ZINC000019997655	348075897	/nfs/dbraw/zinc/07/58/97/348075897.db2.gz	XKKRTYIGBFFQMJ-FPLPWBNLSA-N	-1	0	252.274	0.409	50	10		CCCARM
O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc(O)c(O)c2)C1	ZINC000012390094	388782463	/nfs/dbraw/zinc/78/24/63/388782463.db2.gz	WQFNEHYTECNSPQ-MRVPVSSYSA-N	-1	0	274.236	0.673	50	10		CCCARM
COC(=O)Cc1cc(=O)oc2cc(O)c(O)cc12	ZINC000071404799	176155298	/nfs/dbraw/zinc/15/52/98/176155298.db2.gz	JBPRGCMCHRBQFQ-UHFFFAOYSA-N	-1	0	250.206	0.920	50	10		CCCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1C	ZINC000014010632	291631135	/nfs/dbraw/zinc/63/11/35/291631135.db2.gz	XWFXOZZEHRBLHB-UXBLZVDNSA-N	-1	0	261.281	0.734	50	10		CCCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(F)cc2)C1=O	ZINC000006180163	285006104	/nfs/dbraw/zinc/00/61/04/285006104.db2.gz	CERPTWXPFFCBDN-DHZHZOJOSA-N	-1	0	292.266	0.934	50	10		CCCARM
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000004171165	388758974	/nfs/dbraw/zinc/75/89/74/388758974.db2.gz	LJWBAFKWGIMQNJ-FOCLMDBBSA-N	-1	0	275.224	0.759	50	10		CCCARM
CCOc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000004701949	170001755	/nfs/dbraw/zinc/00/17/55/170001755.db2.gz	QUQZDCCPBNZCEF-UHFFFAOYSA-N	-1	0	260.249	0.835	50	10		CCCARM
COc1cccc(NC=C2C(=O)NC(=S)N(C)C2=O)c1	ZINC000006493842	170206561	/nfs/dbraw/zinc/20/65/61/170206561.db2.gz	ALTDPQLXOUPQGX-YFHOEESVSA-N	-1	0	291.332	0.864	50	10		CCCARM
CN1C(=O)C(=CNCCCCCC(=O)[O-])C(=O)N(C)C1=O	ZINC000019691282	170841706	/nfs/dbraw/zinc/84/17/06/170841706.db2.gz	UMKQIBNXSNXXIN-UHFFFAOYSA-N	-1	0	297.311	0.155	50	10		CCCARM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(C(C)C)C2=O)no1	ZINC000017045957	348052852	/nfs/dbraw/zinc/05/28/52/348052852.db2.gz	UPVKEFDCJFNNNX-YVMONPNESA-N	-1	0	278.268	0.766	50	10		CCCARM
Cc1cc(C)cc(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000008974713	388766560	/nfs/dbraw/zinc/76/65/60/388766560.db2.gz	LKIMVWREJREUQO-UHFFFAOYSA-N	-1	0	259.265	0.965	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2cc(F)cc(F)c2)C(=O)N1	ZINC000006974257	170259896	/nfs/dbraw/zinc/25/98/96/170259896.db2.gz	MNNRQJIANHTQFA-UHFFFAOYSA-N	-1	0	267.191	0.627	50	10		CCCARM
O=C1[N-]C(=O)C(=CN=c2[nH]c3ccccc3s2)C(=O)N1	ZINC000044827502	304656190	/nfs/dbraw/zinc/65/61/90/304656190.db2.gz	KYHNGYMPVJXNBW-UHFFFAOYSA-N	-1	0	288.288	0.958	50	10		CCCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000017174012	348053374	/nfs/dbraw/zinc/05/33/74/348053374.db2.gz	FHHWNOGQDPFLPX-UHFFFAOYSA-N	-1	0	261.237	0.357	50	10		CCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)c1	ZINC000019235102	348058833	/nfs/dbraw/zinc/05/88/33/348058833.db2.gz	RWHUIEJFFJNPAJ-FLIBITNWSA-N	-1	0	289.291	0.044	50	10		CCCARM
CCCCN1C(=O)[N-]C(=O)C(=CNC2CC2)C1=O	ZINC000006072971	170174111	/nfs/dbraw/zinc/17/41/11/170174111.db2.gz	WWGFMBSWMPVEMD-VQHVLOKHSA-N	-1	0	251.286	0.501	50	10		CCCARM
COc1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000005570275	170115136	/nfs/dbraw/zinc/11/51/36/170115136.db2.gz	ZRYFFBXGTPGHCB-UHFFFAOYSA-N	-1	0	261.237	0.357	50	10		CCCARM
COc1cccc(OC)c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000253433381	352535677	/nfs/dbraw/zinc/53/56/77/352535677.db2.gz	WJBBSMIEHPANOH-UHFFFAOYSA-N	-1	0	276.248	0.453	50	10		CCCARM
CCn1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000002832953	347973841	/nfs/dbraw/zinc/97/38/41/347973841.db2.gz	FUGVLJIUMOSKOE-UHFFFAOYSA-N	-1	0	261.281	0.874	50	10		CCCARM
CCNc1nc2nnc(SCC(=O)[O-])n2c(NCC)n1	ZINC000058990638	348636662	/nfs/dbraw/zinc/63/66/62/348636662.db2.gz	IARFUFXANITCAE-UHFFFAOYSA-N	-1	0	297.344	0.560	50	10		CCCARM
CN1C(=O)C(=CNc2ccccc2)C(=O)NC1=S	ZINC000006493843	170206786	/nfs/dbraw/zinc/20/67/86/170206786.db2.gz	NGPWSYXFUJMPEL-CLFYSBASSA-N	-1	0	261.306	0.856	50	10		CCCARM
COC(=O)c1sccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006590080	170216925	/nfs/dbraw/zinc/21/69/25/170216925.db2.gz	HDDOUCDMRFXEHY-UHFFFAOYSA-N	-1	0	295.276	0.197	50	10		CCCARM
COc1ccc(N2CCN(C(C)=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000072343583	295155965	/nfs/dbraw/zinc/15/59/65/295155965.db2.gz	KXIDGDPOGWYPLU-CYBMUJFWSA-N	-1	0	278.308	0.817	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N1	ZINC000003141342	347978081	/nfs/dbraw/zinc/97/80/81/347978081.db2.gz	GYDGUGNBEPVFST-UHFFFAOYSA-N	-1	0	281.655	0.707	50	10		CCCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1O	ZINC000006580804	170215301	/nfs/dbraw/zinc/21/53/01/170215301.db2.gz	LHWCQJGYRSTBQP-UHFFFAOYSA-N	-1	0	292.247	0.159	50	10		CCCARM
O=C([O-])C1=Nc2ncnn2[C@H](c2ccc(O)c(O)c2)C1	ZINC000012390093	388782536	/nfs/dbraw/zinc/78/25/36/388782536.db2.gz	WQFNEHYTECNSPQ-QMMMGPOBSA-N	-1	0	274.236	0.673	50	10		CCCARM
C[C@@H](NC=C1C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000006556231	170212605	/nfs/dbraw/zinc/21/26/05/170212605.db2.gz	KALJKROJHNWGIU-MRVPVSSYSA-N	-1	0	259.265	0.587	50	10		CCCARM
COc1ccc(CCNC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000100501096	349657996	/nfs/dbraw/zinc/65/79/96/349657996.db2.gz	BVJBORCNLGXGLG-UHFFFAOYSA-N	-1	0	289.291	0.077	50	10		CCCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000016309456	282280299	/nfs/dbraw/zinc/28/02/99/282280299.db2.gz	GFUZHTMFTUBOPD-FLIBITNWSA-N	-1	0	273.292	0.844	50	10		CCCARM
O=C1[N-]C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)N1	ZINC000000183414	347941859	/nfs/dbraw/zinc/94/18/59/347941859.db2.gz	RNHHUSWFOYGKKW-FMIVXFBMSA-N	-1	0	273.292	0.704	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNCCSC(C)(C)C)C1=O	ZINC000006906273	170254573	/nfs/dbraw/zinc/25/45/73/170254573.db2.gz	QFHBDIJHQGKSPW-BQYQJAHWSA-N	-1	0	285.369	0.700	50	10		CCCARM
NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000100427023	303219348	/nfs/dbraw/zinc/21/93/48/303219348.db2.gz	NOWRMDFJTJFMBQ-VMPITWQZSA-N	-1	0	265.656	0.765	50	10		CCCARM
CCN(C)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002974266	347975551	/nfs/dbraw/zinc/97/55/51/347975551.db2.gz	RNMQBIBLXHTTAC-UHFFFAOYSA-N	-1	0	273.292	0.892	50	10		CCCARM
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008507888	281018906	/nfs/dbraw/zinc/01/89/06/281018906.db2.gz	YKCHIKOEZBDEBE-UHFFFAOYSA-N	-1	0	290.235	0.565	50	10		CCCARM
CN1C(=O)C(=Cc2ccccc2C(=O)[O-])C(=O)N(C)C1=O	ZINC000096118961	349618294	/nfs/dbraw/zinc/61/82/94/349618294.db2.gz	JPMPYCJWDFFIPS-UHFFFAOYSA-N	-1	0	288.259	0.819	50	10		CCCARM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000003066984	347977153	/nfs/dbraw/zinc/97/71/53/347977153.db2.gz	UNMBLQZTAKRNCQ-UHFFFAOYSA-N	-1	0	291.288	0.212	50	10		CCCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000005648682	170124146	/nfs/dbraw/zinc/12/41/46/170124146.db2.gz	LKVKXJNXEGWZDS-YFHOEESVSA-N	-1	0	275.264	0.699	50	10		CCCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000006672881	170224920	/nfs/dbraw/zinc/22/49/20/170224920.db2.gz	BDEODCRBKGBTLY-UHFFFAOYSA-N	-1	0	291.263	0.366	50	10		CCCARM
COc1ccc(N2CCN(C(=O)/C=C/C(=O)[O-])CC2)cc1	ZINC000019395082	348061290	/nfs/dbraw/zinc/06/12/90/348061290.db2.gz	UYTIHOJKTPMTAM-VOTSOKGWSA-N	-1	0	290.319	0.985	50	10		CCCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)ccc1O	ZINC000004764871	170013475	/nfs/dbraw/zinc/01/34/75/170013475.db2.gz	MACYTTBAYNVBAX-YVMONPNESA-N	-1	0	276.248	0.492	50	10		CCCARM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c1	ZINC000000086748	347938899	/nfs/dbraw/zinc/93/88/99/347938899.db2.gz	NTJZWZUSWSEUFQ-JXMROGBWSA-N	-1	0	290.275	0.795	50	10		CCCARM
CCN1C(=O)[N-]C(=O)C(=CNCc2cccs2)C1=O	ZINC000001163417	347953672	/nfs/dbraw/zinc/95/36/72/347953672.db2.gz	SDDCJFYBAIGISL-VQHVLOKHSA-N	-1	0	279.321	0.820	50	10		CCCARM
CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(O)c1	ZINC000003897752	347987047	/nfs/dbraw/zinc/98/70/47/347987047.db2.gz	GEKASQABADFABO-UHFFFAOYSA-N	-1	0	276.248	0.540	50	10		CCCARM
CCOc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OC	ZINC000004660060	347999084	/nfs/dbraw/zinc/99/90/84/347999084.db2.gz	URUUMTLSEVPPHK-UHFFFAOYSA-N	-1	0	290.275	0.843	50	10		CCCARM
O=C1CSC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000001235924	304643308	/nfs/dbraw/zinc/64/33/08/304643308.db2.gz	JLAFUTNZTWXZJX-UHFFFAOYSA-N	-1	0	288.375	0.740	50	10		CCCARM
CC[C@@H](C)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716054	349659109	/nfs/dbraw/zinc/65/91/09/349659109.db2.gz	OXOCXUDGVVWWDB-VXNVDRBHSA-N	-1	0	285.296	0.795	50	10		CCCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nn[nH]n1	ZINC000100149049	349655877	/nfs/dbraw/zinc/65/58/77/349655877.db2.gz	FBSDCTWSBXDHAF-JXMROGBWSA-N	-1	0	269.268	0.918	50	10		CCCARM
O=C1[N-]C(=O)C(=CNCCc2ccccc2)C(=O)N1	ZINC000019708074	348067330	/nfs/dbraw/zinc/06/73/30/348067330.db2.gz	ARSWOMLIZQSTRQ-UHFFFAOYSA-N	-1	0	259.265	0.069	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	ZINC000002834613	347973633	/nfs/dbraw/zinc/97/36/33/347973633.db2.gz	LYUQGBRPSZAELR-UHFFFAOYSA-N	-1	0	266.640	0.795	50	10		CCCARM
CCOc1c(C=C2C(=O)[N-]C(=O)NC2=O)cccc1OC	ZINC000005463410	170101760	/nfs/dbraw/zinc/10/17/60/170101760.db2.gz	RSUCHAQHYMDWOC-UHFFFAOYSA-N	-1	0	290.275	0.843	50	10		CCCARM
O=C(NN1C(=O)CSC1=S)c1ccc(O)cc1	ZINC000000967005	347952341	/nfs/dbraw/zinc/95/23/41/347952341.db2.gz	WZNZAODCTIERJI-UHFFFAOYSA-N	-1	0	268.319	0.897	50	10		CCCARM
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000169305953	350837861	/nfs/dbraw/zinc/83/78/61/350837861.db2.gz	ILJBOVQNAKDIKN-LNLATYFQSA-N	-1	0	294.332	0.872	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccnc3ccccc23)C(=O)N1	ZINC000008710557	296356284	/nfs/dbraw/zinc/35/62/84/296356284.db2.gz	MEQPNNPTOUQOEZ-UHFFFAOYSA-N	-1	0	267.244	0.984	50	10		CCCARM
O=C([O-])CCCOC(=O)c1cc(O)c(O)c(O)c1	ZINC000390822240	389772447	/nfs/dbraw/zinc/77/24/47/389772447.db2.gz	ZZQJJTPKQYBJSW-UHFFFAOYSA-N	-1	0	256.210	0.825	50	10		CCCARM
Cc1ccccc1NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000003090885	347977145	/nfs/dbraw/zinc/97/71/45/347977145.db2.gz	LHYLUMRVMGTTOO-UHFFFAOYSA-N	-1	0	260.253	0.161	50	10		CCCARM
O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000003121580	347978257	/nfs/dbraw/zinc/97/82/57/347978257.db2.gz	SNQLRPZKPQENSA-UHFFFAOYSA-N	-1	0	293.260	0.215	50	10		CCCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000044965575	411636277	/nfs/dbraw/zinc/63/62/77/411636277.db2.gz	VXYWMOFPHRYMML-UHFFFAOYSA-N	-1	0	259.265	0.965	50	10		CCCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNn1cnnc1	ZINC000004831995	348000773	/nfs/dbraw/zinc/00/07/73/348000773.db2.gz	XVQUAXFSIPUOPS-POHAHGRESA-N	-1	0	298.262	0.829	50	10		CCCARM
Cc1ccc(NC=C2C(=O)NC(=S)NC2=O)nc1	ZINC000012622417	348020387	/nfs/dbraw/zinc/02/03/87/348020387.db2.gz	HSZRXEOHJULTFL-UHFFFAOYSA-N	-1	0	262.294	0.217	50	10		CCCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000013511339	286266771	/nfs/dbraw/zinc/26/67/71/286266771.db2.gz	MOPDARMMZSOLCB-YFHOEESVSA-N	-1	0	260.249	0.787	50	10		CCCARM
O=C1[N-]C(=O)C(=CNCC2CCCCC2)C(=O)N1	ZINC000006904464	170254580	/nfs/dbraw/zinc/25/45/80/170254580.db2.gz	ZUUNQOSJILZOTH-UHFFFAOYSA-N	-1	0	251.286	0.406	50	10		CCCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1O	ZINC000003132948	260011099	/nfs/dbraw/zinc/01/10/99/260011099.db2.gz	OFSAXDUOSWGYHE-UHFFFAOYSA-N	-1	0	262.221	0.150	50	10	biogenic	CCCARM
CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000002813497	347973772	/nfs/dbraw/zinc/97/37/72/347973772.db2.gz	LEJZEKKVTDIDHW-UHFFFAOYSA-N	-1	0	290.275	0.843	50	10		CCCARM
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004132375	347990143	/nfs/dbraw/zinc/99/01/43/347990143.db2.gz	ILJBOVQNAKDIKN-VDDIYKPWSA-N	-1	0	294.332	0.872	50	10		CCCARM
CN(C)/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000034781826	348151414	/nfs/dbraw/zinc/15/14/14/348151414.db2.gz	KFBUNNIZNLDJEC-NTMALXAHSA-N	-1	0	259.265	0.715	50	10		CCCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNC1CC1	ZINC000005768847	280279024	/nfs/dbraw/zinc/27/90/24/280279024.db2.gz	UUJPQFOQILGPNN-JLHYYAGUSA-N	-1	0	299.330	0.943	50	10		CCCARM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2O)N1	ZINC000003984184	347988566	/nfs/dbraw/zinc/98/85/66/347988566.db2.gz	WHUQCPQHHXPQDJ-KOLCDFICSA-N	-1	0	259.265	0.804	50	10	biogenic	CCCARM
O=C1[N-]C(=O)C(=CNCc2cccs2)C(=O)N1	ZINC000007000256	170261386	/nfs/dbraw/zinc/26/13/86/170261386.db2.gz	MIAYCFHHDAHDOQ-UHFFFAOYSA-N	-1	0	251.267	0.088	50	10		CCCARM
CC[C@H](C)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716056	287665782	/nfs/dbraw/zinc/66/57/82/287665782.db2.gz	OXOCXUDGVVWWDB-IONNQARKSA-N	-1	0	285.296	0.795	50	10		CCCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000000296833	649928189	/nfs/dbraw/zinc/92/81/89/649928189.db2.gz	KNOVLQYAUFCOMV-VQHVLOKHSA-N	-1	0	260.249	0.787	50	10		CCCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1O	ZINC000000440839	649943243	/nfs/dbraw/zinc/94/32/43/649943243.db2.gz	XOYRDCNYUNAUQB-VMPITWQZSA-N	-1	0	276.248	0.492	50	10		CCCARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(O)c2)[nH]1	ZINC000016384239	348047528	/nfs/dbraw/zinc/04/75/28/348047528.db2.gz	ZNSMTJOKJJTDCB-HNQUOIGGSA-N	-1	0	291.219	0.965	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1	ZINC000009138132	296356359	/nfs/dbraw/zinc/35/63/59/296356359.db2.gz	QDAXQIQSXPIHRT-UHFFFAOYSA-N	-1	0	261.193	0.344	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2c[nH]nc2-c2ccccc2)C(=O)N1	ZINC000003998410	347988509	/nfs/dbraw/zinc/98/85/09/347988509.db2.gz	SJGFAECUVZOYEU-UHFFFAOYSA-N	-1	0	282.259	0.826	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000013773816	348030293	/nfs/dbraw/zinc/03/02/93/348030293.db2.gz	YQWYDXGGJMXLEO-TWGQIWQCSA-N	-1	0	263.228	0.830	50	10		CCCARM
CCOC(=O)c1ccc(N=Nc2c(N)[nH][n-]c2=O)cc1	ZINC000252620844	352521300	/nfs/dbraw/zinc/52/13/00/352521300.db2.gz	MNHJFQMOBOBWAS-SECBINFHSA-N	-1	0	275.268	0.718	50	10		CCCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c1	ZINC000000100683	286439207	/nfs/dbraw/zinc/43/92/07/286439207.db2.gz	ONYLNEMWQQBVHW-JXMROGBWSA-N	-1	0	260.249	0.787	50	10		CCCARM
Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000097944938	534733016	/nfs/dbraw/zinc/73/30/16/534733016.db2.gz	UBPDTWKBVCHDJJ-OUKQBFOZSA-N	-1	0	282.285	0.760	50	10		CCCARM
CC(=O)OCCN1c2ccccc2N=C2N[N-]C(=O)C=C21	ZINC000085381251	544494448	/nfs/dbraw/zinc/49/44/48/544494448.db2.gz	JHTHXASDHOVECP-UHFFFAOYSA-N	-1	0	286.291	0.618	50	10		CCCARM
O=C([O-])[C@H](CO)NC1=NC(=O)C(=Cc2ccco2)S1	ZINC000001395060	347953939	/nfs/dbraw/zinc/95/39/39/347953939.db2.gz	UDANKBHASRWZOK-OJKBXMANSA-N	-1	0	282.277	0.285	50	10		CCCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNCCCO	ZINC000002990161	347975477	/nfs/dbraw/zinc/97/54/77/347975477.db2.gz	QFMJWGWHWSOMPX-LUAWRHEFSA-N	-1	0	289.291	0.125	50	10		CCCARM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2O)N1	ZINC000003984185	304151343	/nfs/dbraw/zinc/15/13/43/304151343.db2.gz	WHUQCPQHHXPQDJ-GXSJLCMTSA-N	-1	0	259.265	0.804	50	10	biogenic	CCCARM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000100180190	389070867	/nfs/dbraw/zinc/07/08/67/389070867.db2.gz	LHQYVGIGVHAPET-RUDMXATFSA-N	-1	0	298.262	0.735	50	10		CCCARM
O=C1[N-]C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)N1	ZINC000006197747	170182143	/nfs/dbraw/zinc/18/21/43/170182143.db2.gz	BGTJLXCUOKCQMY-UHFFFAOYSA-N	-1	0	298.302	0.550	50	10		CCCARM
Cn1nccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000017008979	170720688	/nfs/dbraw/zinc/72/06/88/170720688.db2.gz	ZFUFBTZRBHFMEC-QPJJXVBHSA-N	-1	0	283.334	0.706	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccc3nccnc3c2)C(=O)N1	ZINC000012421357	388783264	/nfs/dbraw/zinc/78/32/64/388783264.db2.gz	KHMZZPPZOCECEK-UHFFFAOYSA-N	-1	0	268.232	0.379	50	10		CCCARM
C[C@H](NC=C1C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000006731751	170236216	/nfs/dbraw/zinc/23/62/16/170236216.db2.gz	KALJKROJHNWGIU-QMMMGPOBSA-N	-1	0	259.265	0.587	50	10		CCCARM
C[C@H](CCc1ccccc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008489900	170337838	/nfs/dbraw/zinc/33/78/38/170337838.db2.gz	SCRATSUBDTVTTE-SNVBAGLBSA-N	-1	0	287.319	0.847	50	10		CCCARM
CC1(C)OC(=O)C(=CN2CCC[C@H]2C(=O)[O-])C(=O)O1	ZINC000019908472	281398273	/nfs/dbraw/zinc/39/82/73/281398273.db2.gz	AAIYGRHJPHZION-QMMMGPOBSA-N	-1	0	269.253	0.255	50	10		CCCARM
O=C1[N-]C(=O)C(=CC2=Cc3ccccc3OC2)C(=O)N1	ZINC000016733385	388790304	/nfs/dbraw/zinc/79/03/04/388790304.db2.gz	VELSYOAIRRFXHW-UHFFFAOYSA-N	-1	0	270.244	0.755	50	10		CCCARM
CN(C)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000017174008	348053384	/nfs/dbraw/zinc/05/33/84/348053384.db2.gz	QREUETLOROWYMU-UHFFFAOYSA-N	-1	0	274.280	0.414	50	10		CCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NC2CC2)cc1	ZINC000034926476	348152136	/nfs/dbraw/zinc/15/21/36/348152136.db2.gz	VFZYLEHZFUUAMZ-UHFFFAOYSA-N	-1	0	278.308	0.865	50	10		CCCARM
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000169305952	350837513	/nfs/dbraw/zinc/83/75/13/350837513.db2.gz	ILJBOVQNAKDIKN-PTRXPTGYSA-N	-1	0	294.332	0.872	50	10		CCCARM
O=C([O-])[C@H]1CSC2(N1)C(=O)c1ccccc1C2=O	ZINC000004661042	304201220	/nfs/dbraw/zinc/20/12/20/304201220.db2.gz	DIMVCLYHJJRQHA-MRVPVSSYSA-N	-1	0	263.274	0.552	50	10		CCCARM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000044965560	411634697	/nfs/dbraw/zinc/63/46/97/411634697.db2.gz	RQSOROKMFCSZCY-UHFFFAOYSA-N	-1	0	259.265	0.911	50	10		CCCARM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OC	ZINC000002981350	347975673	/nfs/dbraw/zinc/97/56/73/347975673.db2.gz	LCCUUCQPGCXPFZ-UHFFFAOYSA-N	-1	0	276.248	0.453	50	10		CCCARM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2O)N1	ZINC000003984186	347988576	/nfs/dbraw/zinc/98/85/76/347988576.db2.gz	WHUQCPQHHXPQDJ-ONGXEEELSA-N	-1	0	259.265	0.804	50	10	biogenic	CCCARM
Cc1nonc1[N-]C1(O)C(=O)c2ccccc2C1=O	ZINC000006186409	170181721	/nfs/dbraw/zinc/18/17/21/170181721.db2.gz	MJMYVWAENIIABC-UHFFFAOYSA-N	-1	0	259.221	0.558	50	10		CCCARM
CC(C)[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100804481	279904110	/nfs/dbraw/zinc/90/41/10/279904110.db2.gz	PNBYQAXJPYVSNR-MRVPVSSYSA-N	-1	0	271.269	0.405	50	10		CCCARM
Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cn1	ZINC000017008982	170720765	/nfs/dbraw/zinc/72/07/65/170720765.db2.gz	BQGRSERGDUDYOM-FARCUNLSSA-N	-1	0	283.334	0.706	50	10		CCCARM
COc1ccc(N2CCN(C(=O)/C=C\C(=O)[O-])CC2)cc1	ZINC000096905132	349623414	/nfs/dbraw/zinc/62/34/14/349623414.db2.gz	UYTIHOJKTPMTAM-SREVYHEPSA-N	-1	0	290.319	0.985	50	10		CCCARM
CC1=NNC(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000100642427	349658689	/nfs/dbraw/zinc/65/86/89/349658689.db2.gz	KNZQEVYLZYNULZ-WEVVVXLNSA-N	-1	0	261.237	0.892	50	10		CCCARM
O=C1[N-]C(=O)C(=CNc2cccc3ncccc32)C(=O)N1	ZINC000100926470	185730277	/nfs/dbraw/zinc/73/02/77/185730277.db2.gz	FVBUEQXMTIHNKT-UHFFFAOYSA-N	-1	0	282.259	0.897	50	10		CCCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c1OC	ZINC000000440833	347947228	/nfs/dbraw/zinc/94/72/28/347947228.db2.gz	QABQSKZELYEVFP-VQHVLOKHSA-N	-1	0	290.275	0.795	50	10		CCCARM
O=[N+]([O-])c1ccc([O-])c(CN2CCN(CCO)CC2)c1	ZINC000016662837	348050023	/nfs/dbraw/zinc/05/00/23/348050023.db2.gz	PUPORHAERSEECZ-UHFFFAOYSA-N	-1	0	281.312	0.410	50	10		CCCARM
CN1C(=O)[N-]C(=O)C(=CNN2CCCCC2)C1=O	ZINC000016995979	282651416	/nfs/dbraw/zinc/65/14/16/282651416.db2.gz	XKKRTYIGBFFQMJ-BQYQJAHWSA-N	-1	0	252.274	0.409	50	10		CCCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nn[nH]n1	ZINC000100149045	349655977	/nfs/dbraw/zinc/65/59/77/349655977.db2.gz	FBSDCTWSBXDHAF-YFHOEESVSA-N	-1	0	269.268	0.918	50	10		CCCARM
C[C@@H](CCc1ccccc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008488841	170337867	/nfs/dbraw/zinc/33/78/67/170337867.db2.gz	SCRATSUBDTVTTE-JTQLQIEISA-N	-1	0	287.319	0.847	50	10		CCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)C1=O	ZINC000004553277	277016228	/nfs/dbraw/zinc/01/62/28/277016228.db2.gz	BPWLZLMNMKZPLP-XQRVVYSFSA-N	-1	0	281.249	0.748	50	10		CCCARM
O=C([O-])[C@@H](CO)NC1=NC(=O)C(=Cc2ccco2)S1	ZINC000001395062	347954377	/nfs/dbraw/zinc/95/43/77/347954377.db2.gz	UDANKBHASRWZOK-UDGZVJEDSA-N	-1	0	282.277	0.285	50	10		CCCARM
Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CO)C(=O)[O-]	ZINC000001856860	347963486	/nfs/dbraw/zinc/96/34/86/347963486.db2.gz	IYOFCNNMOBCILN-JTQLQIEISA-N	-1	0	293.275	0.342	50	10	biogenic	CCCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Cl)cc1O	ZINC000005915386	170154931	/nfs/dbraw/zinc/15/49/31/170154931.db2.gz	XFSXNSCADDBHIV-UHFFFAOYSA-N	-1	0	296.666	0.804	50	10		CCCARM
CCCCN1C(=O)[N-]C(=O)C(=CNN2CCOCC2)C1=O	ZINC000006783078	170243181	/nfs/dbraw/zinc/24/31/81/170243181.db2.gz	KATTUFZZMIKXOE-KTKRTIGZSA-N	-1	0	296.327	0.426	50	10		CCCARM
CSc1[n-]n2c(nc3c(c2=O)CCC3)c1C(N)=O	ZINC000253534691	295690535	/nfs/dbraw/zinc/69/05/35/295690535.db2.gz	JZQNIKCHZAAURK-UHFFFAOYSA-N	-1	0	264.310	0.744	50	10		CCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(O)c2)C1=O	ZINC000000086698	347938906	/nfs/dbraw/zinc/93/89/06/347938906.db2.gz	KLGCHQXZEAOCAY-QPJJXVBHSA-N	-1	0	262.221	0.189	50	10		CCCARM
CCOc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003157624	347978834	/nfs/dbraw/zinc/97/88/34/347978834.db2.gz	IGUFEUNSYFRSCT-UHFFFAOYSA-N	-1	0	260.249	0.835	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N1	ZINC000008769639	170355298	/nfs/dbraw/zinc/35/52/98/170355298.db2.gz	UQZCJCVHAOEKSE-UHFFFAOYSA-N	-1	0	291.263	0.706	50	10		CCCARM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000001851000	304248252	/nfs/dbraw/zinc/24/82/52/304248252.db2.gz	QYQGDHCFEIBAOO-UHFFFAOYSA-N	-1	0	291.288	0.212	50	10		CCCARM
Cc1n[n-]c(NNC(=S)Nc2ccccc2)nc1=O	ZINC000011045663	302531252	/nfs/dbraw/zinc/53/12/52/302531252.db2.gz	YUTZQXPYMGKETM-UHFFFAOYSA-N	-1	0	276.325	0.787	50	10		CCCARM
O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000009329507	284858971	/nfs/dbraw/zinc/85/89/71/284858971.db2.gz	FGFXOLJQAAPECN-UHFFFAOYSA-N	-1	0	261.193	0.344	50	10	biogenic,in-vitro	CCCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000005798987	170141521	/nfs/dbraw/zinc/14/15/21/170141521.db2.gz	XYLMTIPASAPMAW-UHFFFAOYSA-N	-1	0	259.265	0.965	50	10		CCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2c[nH]c3ccc(O)cc23)C1=O	ZINC000009341556	277016132	/nfs/dbraw/zinc/01/61/32/277016132.db2.gz	PUXMBOXMRGPILZ-ONNFQVAWSA-N	-1	0	285.259	0.965	50	10		CCCARM
CC(C)C[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716045	279001340	/nfs/dbraw/zinc/00/13/40/279001340.db2.gz	FJVXDYWWEKHGBY-SECBINFHSA-N	-1	0	285.296	0.795	50	10		CCCARM
CC(C)[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100804478	280323738	/nfs/dbraw/zinc/32/37/38/280323738.db2.gz	PNBYQAXJPYVSNR-QMMMGPOBSA-N	-1	0	271.269	0.405	50	10		CCCARM
COc1ccc(N2CCN(C(C)=O)[C@H](C(=O)[O-])C2)cc1	ZINC000072343584	295156231	/nfs/dbraw/zinc/15/62/31/295156231.db2.gz	KXIDGDPOGWYPLU-ZDUSSCGKSA-N	-1	0	278.308	0.817	50	10		CCCARM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2O)N1	ZINC000003984183	347988150	/nfs/dbraw/zinc/98/81/50/347988150.db2.gz	WHUQCPQHHXPQDJ-MWLCHTKSSA-N	-1	0	259.265	0.804	50	10	biogenic	CCCARM
O=C1[N-]C(=O)C(=CNC2CCCCCC2)C(=O)N1	ZINC000006904480	296356567	/nfs/dbraw/zinc/35/65/67/296356567.db2.gz	DVBYNROBINENEK-UHFFFAOYSA-N	-1	0	251.286	0.549	50	10		CCCARM
Cc1cc(C)nc(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000010272052	388767429	/nfs/dbraw/zinc/76/74/29/388767429.db2.gz	HMDHQMMLSZJBNV-UHFFFAOYSA-N	-1	0	260.253	0.360	50	10		CCCARM
O=c1ccc2cc(NC=C3C(=O)[N-]C(=O)NC3=O)ccc2o1	ZINC000009089600	170363065	/nfs/dbraw/zinc/36/30/65/170363065.db2.gz	JKNDZNIETAMKOX-UHFFFAOYSA-N	-1	0	299.242	0.455	50	10		CCCARM