smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(CO)[C@@H](O)C(=O)NCc1ccc(N)cc1	ZINC000584600076	359178225	/nfs/dbraw/zinc/17/82/25/359178225.db2.gz	JYGJZTUIFAAEJV-NSHDSACASA-N	0	0	252.314	0.264	10	10		CCCERN
CCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(N)cc1	ZINC000584617923	359181576	/nfs/dbraw/zinc/18/15/76/359181576.db2.gz	SKGFEDAAOREJRA-UHFFFAOYSA-N	0	0	273.296	0.994	10	10		CCCERN
COC(=O)[C@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1	ZINC000035219618	172060537	/nfs/dbraw/zinc/06/05/37/172060537.db2.gz	IHEJGVLVZYGKNF-PPGNKHEKSA-N	0	0	292.335	0.416	10	10		CCCERN
Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)c(O)c1O	ZINC000188092699	329364273	/nfs/dbraw/zinc/36/42/73/329364273.db2.gz	OPGGVZOACGWVEU-SECBINFHSA-N	0	0	278.308	0.757	10	10		CCCERN
CN(C)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1	ZINC000093883254	330426265	/nfs/dbraw/zinc/42/62/65/330426265.db2.gz	VAGGWXBBFWEUSA-CHWSQXEVSA-N	0	0	261.325	0.582	10	10		CCCERN
C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1O	ZINC000328209965	623870237	/nfs/dbraw/zinc/87/02/37/623870237.db2.gz	IJOBTYXZDNAYME-SKDRFNHKSA-N	0	0	250.298	0.385	10	10		CCCERN
C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000895327526	632059691	/nfs/dbraw/zinc/05/96/91/632059691.db2.gz	DLLNEHBORQKQJO-GXFFZTMASA-N	0	0	255.289	0.849	10	10		CCCERN
O=C(/N=N\C(=O)N1CCOCC1)N1CCOCC1	ZINC000100403629	349657936	/nfs/dbraw/zinc/65/79/36/349657936.db2.gz	CHAMTJKQPOMXTI-QXMHVHEDSA-N	0	0	256.262	0.343	10	10		CCCERN
Nc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000036283848	348163216	/nfs/dbraw/zinc/16/32/16/348163216.db2.gz	PYVHBMBMLFMNNR-SNVBAGLBSA-N	0	0	290.366	0.198	10	10		CCCERN
C[C@@H](NC(N)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000173191681	389499098	/nfs/dbraw/zinc/49/90/98/389499098.db2.gz	JZWDNOKMLPPQLV-SECBINFHSA-N	0	0	292.339	0.535	10	10		CCCERN
NC(=O)C1CCN(CC(=O)Nc2ccc(N)cc2)CC1	ZINC000022174844	171369730	/nfs/dbraw/zinc/36/97/30/171369730.db2.gz	PDZHJWCAQGBUHT-UHFFFAOYSA-N	0	0	276.340	0.405	10	10		CCCERN
Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(O)c1O	ZINC000190378003	329395566	/nfs/dbraw/zinc/39/55/66/329395566.db2.gz	XCBVHQROSHEVAX-UHFFFAOYSA-N	0	0	278.308	0.711	10	10		CCCERN
CN(C[C@H](O)CN1CCCC1=O)c1ccc2c(c1)OCO2	ZINC000121402917	642657085	/nfs/dbraw/zinc/65/70/85/642657085.db2.gz	PADSLEJDMJQFEE-LBPRGKRZSA-N	0	0	292.335	0.835	10	10		CCCERN
CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1	ZINC000019231939	348059058	/nfs/dbraw/zinc/05/90/58/348059058.db2.gz	ZDXRZGWCKKHBFO-UHFFFAOYSA-N	0	0	269.370	0.346	10	10		CCCERN
COC(=O)CCOc1ccc(N(CCO)CCO)cc1	ZINC000584651806	359186115	/nfs/dbraw/zinc/18/61/15/359186115.db2.gz	OCFGWRMBBGLKSA-UHFFFAOYSA-N	0	0	283.324	0.420	10	10		CCCERN
N#[N+]C1=CCc2c(cccc2S(=O)(=O)[O-])[C@@H]1O	ZINC000034164292	388834859	/nfs/dbraw/zinc/83/48/59/388834859.db2.gz	VCZWVTLNUKKQER-JTQLQIEISA-N	0	0	252.251	0.664	10	10		CCCERN
Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c(O)c1O	ZINC000179463464	389657041	/nfs/dbraw/zinc/65/70/41/389657041.db2.gz	GSDREEOJKBUREC-SNVBAGLBSA-N	0	0	280.324	0.467	10	10		CCCERN
COc1ccc2c(c1)[C@@]1(C)CN(C)C(=O)[C@@]1(O)N2C	ZINC000048533403	348413838	/nfs/dbraw/zinc/41/38/38/348413838.db2.gz	MLYAWYWMHFLNLT-KGLIPLIRSA-N	0	0	262.309	0.563	10	10		CCCERN
C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1O	ZINC000282273566	353408927	/nfs/dbraw/zinc/40/89/27/353408927.db2.gz	UUPVBGSITHFGAN-APPZFPTMSA-N	0	0	264.281	0.495	10	10		CCCERN
COc1ccc(N=Nc2no[n+]([O-])c2C(N)=O)cc1	ZINC000575122077	335069247	/nfs/dbraw/zinc/06/92/47/335069247.db2.gz	ZELWIPWWIGCKLH-UHFFFAOYSA-N	0	0	263.213	0.831	10	10		CCCERN
C[C@@H](C(=O)N1CCOCC1)N(C)c1ccc(N)cc1	ZINC000020422584	171189396	/nfs/dbraw/zinc/18/93/96/171189396.db2.gz	RWEIVGZKPRWXMO-NSHDSACASA-N	0	0	263.341	0.952	10	10		CCCERN
NC(=O)CN[C@H](c1ccccc1)c1ccc(O)c(O)c1O	ZINC000022144738	171356496	/nfs/dbraw/zinc/35/64/96/171356496.db2.gz	MAYFDRRIBPXHED-CYBMUJFWSA-N	0	0	288.303	0.968	10	10		CCCERN
CC[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1	ZINC000035599321	172287828	/nfs/dbraw/zinc/28/78/28/172287828.db2.gz	AEFQNETUNRJAMQ-NSHDSACASA-N	0	0	258.343	0.459	10	10		CCCERN
CN(C)C(=O)CN(C)c1cc2c(cc1N)OCCO2	ZINC000037270819	173082397	/nfs/dbraw/zinc/08/23/97/173082397.db2.gz	DEWVOZJVZYWPFS-UHFFFAOYSA-N	0	0	265.313	0.564	10	10		CCCERN
CCCNC(=O)NC(=O)COc1ccc(N)cc1	ZINC000038055425	174066828	/nfs/dbraw/zinc/06/68/28/174066828.db2.gz	FZOLGUUNGDEVKD-UHFFFAOYSA-N	0	0	251.286	0.883	10	10		CCCERN
CCOC(=O)CS(=O)(=O)Nc1ccc(N)cc1	ZINC000042534106	174782098	/nfs/dbraw/zinc/78/20/98/174782098.db2.gz	SBKSUYJQEZWVFZ-UHFFFAOYSA-N	0	0	258.299	0.574	10	10		CCCERN
N#[N+]C1=CC(S(=O)(=O)[O-])c2ccccc2[C@H]1O	ZINC000059847154	304849342	/nfs/dbraw/zinc/84/93/42/304849342.db2.gz	HDADXVCIGLXBAI-SNVBAGLBSA-N	0	0	252.251	0.633	10	10		CCCERN
C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000895327832	632060606	/nfs/dbraw/zinc/06/06/06/632060606.db2.gz	DLLNEHBORQKQJO-ZWNOBZJWSA-N	0	0	255.289	0.849	10	10		CCCERN
O=S1(=O)C[C@H](O)[C@H](Sc2nccs2)C1	ZINC000040677096	348241156	/nfs/dbraw/zinc/24/11/56/348241156.db2.gz	PBMLWCFATKKFNO-NTSWFWBYSA-N	0	0	251.354	0.393	10	10		CCCERN
CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(O)c2O)C1	ZINC000284792551	353557348	/nfs/dbraw/zinc/55/73/48/353557348.db2.gz	JSFWWAGQZFBQDU-DTWKUNHWSA-N	0	0	267.281	0.320	10	10		CCCERN
CN(C)c1ccc(CNc2nnnn2CCO)cc1	ZINC000041689089	256869627	/nfs/dbraw/zinc/86/96/27/256869627.db2.gz	JXHPPFVGZMLXNJ-UHFFFAOYSA-N	0	0	262.317	0.344	10	10		CCCERN
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CN(C)CCO1	ZINC000105281602	389086056	/nfs/dbraw/zinc/08/60/56/389086056.db2.gz	GCJFEBUNXZVEAU-CYBMUJFWSA-N	0	0	293.367	0.864	10	10		CCCERN
Nc1ccc(OCC(=O)NC(=O)c2ccc[nH]2)cc1	ZINC000038055591	174066890	/nfs/dbraw/zinc/06/68/90/174066890.db2.gz	MGTANKPWRCPZKM-UHFFFAOYSA-N	0	0	259.265	0.932	10	10		CCCERN
Nc1ccc(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000038083746	174093536	/nfs/dbraw/zinc/09/35/36/174093536.db2.gz	LTOYHKQZOHIOJQ-NSHDSACASA-N	0	0	282.365	0.362	10	10		CCCERN
CN1CCN(C(=O)CCOc2ccc(N)cc2)CC1	ZINC000040292224	174221565	/nfs/dbraw/zinc/22/15/65/174221565.db2.gz	BWPNEAZKMABDSF-UHFFFAOYSA-N	0	0	263.341	0.812	10	10		CCCERN
COc1cc(Cl)cc([C@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000183632846	329251681	/nfs/dbraw/zinc/25/16/81/329251681.db2.gz	IESZESQTIVXJMW-SKDRFNHKSA-N	0	0	298.726	0.883	10	10		CCCERN
O=C(NC[C@@H]1CCC[C@@H]1O)c1cccc(O)c1O	ZINC000126626357	526532136	/nfs/dbraw/zinc/53/21/36/526532136.db2.gz	CNRVZWKQSXPQNZ-WPRPVWTQSA-N	0	0	251.282	0.989	10	10		CCCERN
Nc1ccc(CCNC(=O)CN2CCCCC2=O)cc1	ZINC000238125171	527479460	/nfs/dbraw/zinc/47/94/60/527479460.db2.gz	GCSNGNVKSOQICB-UHFFFAOYSA-N	0	0	275.352	0.940	10	10		CCCERN
O=S1(=O)C[C@H](Sc2nccs2)[C@@H](O)C1	ZINC000040677097	348241142	/nfs/dbraw/zinc/24/11/42/348241142.db2.gz	PBMLWCFATKKFNO-WDSKDSINSA-N	0	0	251.354	0.393	10	10		CCCERN
NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1	ZINC000254557176	189995470	/nfs/dbraw/zinc/99/54/70/189995470.db2.gz	JPIORAISHMNQFE-UHFFFAOYSA-N	0	0	270.314	0.665	10	10		CCCERN
CN(C)c1ccc(CN2CCOC[C@H]2C(N)=O)cc1	ZINC000193465022	389070673	/nfs/dbraw/zinc/07/06/73/389070673.db2.gz	YZEHROUFZPNEGZ-ZDUSSCGKSA-N	0	0	263.341	0.439	10	10		CCCERN
CC(=O)Nc1cc2c(cc1N1CCOCC1)CC(=O)N2	ZINC000090759684	134510691	/nfs/dbraw/zinc/51/06/91/134510691.db2.gz	BBWDGWXNZPKQFN-UHFFFAOYSA-N	0	0	275.308	0.976	10	10		CCCERN
NC(=O)[C@@H]1CCCN1c1cc2c(cc1N)OCCO2	ZINC000020294073	171134173	/nfs/dbraw/zinc/13/41/73/171134173.db2.gz	BAHIQGBSMYJYSL-VIFPVBQESA-N	0	0	263.297	0.494	10	10		CCCERN
COC[C@H](O)CN(C)C(=O)COc1ccc(N)cc1	ZINC000042482496	174759170	/nfs/dbraw/zinc/75/91/70/174759170.db2.gz	FJVOBYMRASHBNV-LLVKDONJSA-N	0	0	268.313	0.113	10	10		CCCERN
Nc1ccc(NC(=O)CN2CCS(=O)CC2)cc1	ZINC000049691200	527492119	/nfs/dbraw/zinc/49/21/19/527492119.db2.gz	UEZCHKHZNBNZOP-UHFFFAOYSA-N	0	0	267.354	0.272	10	10		CCCERN
O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1	ZINC000083431830	633343100	/nfs/dbraw/zinc/34/31/00/633343100.db2.gz	RBMVBSIJTDVVTB-SECBINFHSA-N	0	0	259.302	0.808	10	10		CCCERN
CC(C)(C[NH2+]Cc1cccc(F)c1[O-])NS(C)(=O)=O	ZINC000158770686	649309975	/nfs/dbraw/zinc/30/99/75/649309975.db2.gz	ASTTZSDDQGHCFQ-UHFFFAOYSA-N	0	0	290.360	0.949	10	10		CCCERN
CNC(=O)NC(=O)[C@@H](C)OCc1ccc(N)cc1	ZINC000020391050	171179732	/nfs/dbraw/zinc/17/97/32/171179732.db2.gz	QZVYEKLFGGVMPG-MRVPVSSYSA-N	0	0	251.286	0.630	10	10		CCCERN
C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)N(C)C	ZINC000038051725	174063400	/nfs/dbraw/zinc/06/34/00/174063400.db2.gz	NVELUNCVFPLZIA-JTQLQIEISA-N	0	0	263.341	0.794	10	10		CCCERN
Nc1cc2c(cc1N(CCO)C1CC1)NC(=O)CO2	ZINC000042479028	174757218	/nfs/dbraw/zinc/75/72/18/174757218.db2.gz	QSNZYTPBNCORDV-UHFFFAOYSA-N	0	0	263.297	0.561	10	10		CCCERN
C[C@@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000180795519	389675290	/nfs/dbraw/zinc/67/52/90/389675290.db2.gz	SHFYOTXTSQDKNS-HYYFJVDXSA-N	0	0	251.282	0.998	10	10		CCCERN
Cn1cc(NS(=O)(=O)Cc2ccc(N)cc2)cn1	ZINC000035737364	172390376	/nfs/dbraw/zinc/39/03/76/172390376.db2.gz	FJGFXGFDMZVNTN-UHFFFAOYSA-N	0	0	266.326	0.944	10	10		CCCERN
Nc1ccc(CS(=O)(=O)N2CCC(CO)CC2)cc1	ZINC000036720931	172658163	/nfs/dbraw/zinc/65/81/63/172658163.db2.gz	FIRCMVVKQBRSRT-UHFFFAOYSA-N	0	0	284.381	0.803	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C(N)=O)c1O	ZINC000092228567	260268571	/nfs/dbraw/zinc/26/85/71/260268571.db2.gz	AHMDTYNNWACASF-LBPRGKRZSA-N	0	0	296.298	0.420	10	10		CCCERN
NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	ZINC000037799400	303325354	/nfs/dbraw/zinc/32/53/54/303325354.db2.gz	WCQQAQJZEDTRFV-GFCCVEGCSA-N	0	0	261.325	0.678	10	10		CCCERN
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CNC(=O)C2)c1	ZINC000103529017	617273851	/nfs/dbraw/zinc/27/38/51/617273851.db2.gz	QTHSWFHKNGIOMW-IUCAKERBSA-N	0	0	278.308	0.714	10	10		CCCERN
COC(=O)CC[C@H](C(N)=O)N1Cc2c(cccc2O)C1=O	ZINC000118427769	349902574	/nfs/dbraw/zinc/90/25/74/349902574.db2.gz	STDQXJRROFVUBT-SNVBAGLBSA-N	0	0	292.291	0.155	10	10		CCCERN
COc1ccc2c(c1)[C@@]1(C)CN(C)C(=O)[C@]1(O)N2C	ZINC000048533402	348413384	/nfs/dbraw/zinc/41/33/84/348413384.db2.gz	MLYAWYWMHFLNLT-ZIAGYGMSSA-N	0	0	262.309	0.563	10	10		CCCERN
C[C@@H](Oc1ccc(N)cc1)C(=O)N1CCOCC1	ZINC000020388064	171177193	/nfs/dbraw/zinc/17/71/93/171177193.db2.gz	KFHZPXNTRVCAJR-SNVBAGLBSA-N	0	0	250.298	0.895	10	10		CCCERN
CN(C)c1ccc(CN(C)C(=O)C2=NNC(=O)CC2)cc1	ZINC000037493743	260112482	/nfs/dbraw/zinc/11/24/82/260112482.db2.gz	FMVZRFIGNBWVAL-UHFFFAOYSA-N	0	0	288.351	0.977	10	10		CCCERN
C[C@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000076000467	524962455	/nfs/dbraw/zinc/96/24/55/524962455.db2.gz	YPJTVSZJIMKWAT-OIBJUYFYSA-N	0	0	284.337	0.902	10	10		CCCERN
O=S1(=O)CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1	ZINC000083431831	633343717	/nfs/dbraw/zinc/34/37/17/633343717.db2.gz	RBMVBSIJTDVVTB-VIFPVBQESA-N	0	0	259.302	0.808	10	10		CCCERN
CC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)CC1	ZINC000022220874	171377809	/nfs/dbraw/zinc/37/78/09/171377809.db2.gz	XZNFOUJHXHNXTF-UHFFFAOYSA-N	0	0	290.367	0.762	10	10		CCCERN
NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C(F)F	ZINC000035366583	172157809	/nfs/dbraw/zinc/15/78/09/172157809.db2.gz	NUNNHTHKUUVPBZ-UHFFFAOYSA-N	0	0	293.295	0.109	10	10		CCCERN
Nc1ccc(CS(=O)(=O)NC2CCOCC2)cc1	ZINC000036308571	172599909	/nfs/dbraw/zinc/59/99/09/172599909.db2.gz	LREOEGUATCSSAQ-UHFFFAOYSA-N	0	0	270.354	0.867	10	10		CCCERN
Nc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000062975536	262439172	/nfs/dbraw/zinc/43/91/72/262439172.db2.gz	XPGKMVGMQCJHTM-OAHLLOKOSA-N	0	0	289.379	0.744	10	10		CCCERN
CN(C)c1ccc(-c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1	ZINC000013473627	276881214	/nfs/dbraw/zinc/88/12/14/276881214.db2.gz	HTNJPRJMROLZIT-UHFFFAOYSA-N	0	0	299.334	0.693	10	10		CCCERN
Cn1c2oc3cc(O)c(O)cc3c2c(=O)n(C)c1=O	ZINC000039127301	294193496	/nfs/dbraw/zinc/19/34/96/294193496.db2.gz	DSSZKWDAHNWCBG-UHFFFAOYSA-N	0	0	262.221	0.395	10	10		CCCERN
O=C(c1cccc(O)c1O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000232289416	333335431	/nfs/dbraw/zinc/33/54/31/333335431.db2.gz	PFJNKQFHUXNUFN-PSASIEDQSA-N	0	0	276.292	0.448	10	10		CCCERN
Cn1ccnc1N(CC(N)=O)Cc1ccc(N)cc1	ZINC000050606985	527444650	/nfs/dbraw/zinc/44/46/50/527444650.db2.gz	OGTRBSWLNWJQBT-UHFFFAOYSA-N	0	0	259.313	0.494	10	10		CCCERN
CCOc1cccc([C@@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000093884990	349556903	/nfs/dbraw/zinc/55/69/03/349556903.db2.gz	UHMFZSNBFUMQDN-ZWNOBZJWSA-N	0	0	278.308	0.620	10	10		CCCERN
Nc1ccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)cc1	ZINC000062975535	388940889	/nfs/dbraw/zinc/94/08/89/388940889.db2.gz	XPGKMVGMQCJHTM-HNNXBMFYSA-N	0	0	289.379	0.744	10	10		CCCERN
CN(C(=O)CN(CCO)C1CC1)c1ccc(N)cc1	ZINC000042478488	174756282	/nfs/dbraw/zinc/75/62/82/174756282.db2.gz	ZRVFPCCAGYMWIU-UHFFFAOYSA-N	0	0	263.341	0.688	10	10		CCCERN
COC(=O)CCS(=O)(=O)NCc1ccc(N)cc1	ZINC000042536083	174783197	/nfs/dbraw/zinc/78/31/97/174783197.db2.gz	BJZFZQVARZEOQJ-UHFFFAOYSA-N	0	0	272.326	0.251	10	10		CCCERN
[O-]c1c(Br)cccc1C[NH2+]C[C@@H](O)CO	ZINC000085246290	544493259	/nfs/dbraw/zinc/49/32/59/544493259.db2.gz	SPBZSBFYPDSWPS-MRVPVSSYSA-N	0	0	276.130	0.598	10	10		CCCERN
C[C@@H]1C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000076000461	525328804	/nfs/dbraw/zinc/32/88/04/525328804.db2.gz	YPJTVSZJIMKWAT-XCBNKYQSSA-N	0	0	284.337	0.902	10	10		CCCERN
O=C(NC1=NCCS1)c1cc(O)c(O)c(O)c1	ZINC000029408472	348112365	/nfs/dbraw/zinc/11/23/65/348112365.db2.gz	NTBBUWBAFBYPGL-UHFFFAOYSA-N	0	0	254.267	0.636	10	10		CCCERN
COc1cc(N(CCO)CCO)cc(OC)c1OC	ZINC000049865347	348460795	/nfs/dbraw/zinc/46/07/95/348460795.db2.gz	TZTMXEOXGJISSL-UHFFFAOYSA-N	0	0	271.313	0.503	10	10		CCCERN
O=C([O-])[C@H](Cc1c[nH]cn1)[NH2+]Cc1ccccc1O	ZINC000013905686	388788208	/nfs/dbraw/zinc/78/82/08/388788208.db2.gz	XOHSJPOQKQXJMI-NSHDSACASA-N	0	0	261.281	0.901	10	10		CCCERN
CN(Cc1ccccc1O)C(=O)NC[C@H]1CN(C)CCO1	ZINC000105281606	389085592	/nfs/dbraw/zinc/08/55/92/389085592.db2.gz	GCJFEBUNXZVEAU-ZDUSSCGKSA-N	0	0	293.367	0.864	10	10		CCCERN
Cc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c(O)c1O	ZINC000177670968	389588730	/nfs/dbraw/zinc/58/87/30/389588730.db2.gz	KIAMJZZVJFYOFS-LLVKDONJSA-N	0	0	294.351	0.857	10	10		CCCERN
Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c(O)c1O	ZINC000182433769	389707856	/nfs/dbraw/zinc/70/78/56/389707856.db2.gz	KNEMYWQVDLSMHP-SECBINFHSA-N	0	0	288.307	0.743	10	10		CCCERN
CC(=O)N1CCN(CCOc2ccc(N)cc2)CC1	ZINC000031977531	171675791	/nfs/dbraw/zinc/67/57/91/171675791.db2.gz	NJWFLZYGBINSIZ-UHFFFAOYSA-N	0	0	263.341	0.812	10	10		CCCERN
Nc1ccc(CS(=O)(=O)NC[C@H]2COCCO2)cc1	ZINC000038062474	174073831	/nfs/dbraw/zinc/07/38/31/174073831.db2.gz	AKFIFVAJBNUMTR-LBPRGKRZSA-N	0	0	286.353	0.104	10	10		CCCERN
N#[N+]C1=CCc2c(cccc2S(=O)(=O)[O-])[C@H]1O	ZINC000034164291	304849345	/nfs/dbraw/zinc/84/93/45/304849345.db2.gz	VCZWVTLNUKKQER-SNVBAGLBSA-N	0	0	252.251	0.664	10	10		CCCERN
CN1CCc2cc(CNC(=O)[C@H]3CCC(=O)N3)ccc21	ZINC000169815466	616460913	/nfs/dbraw/zinc/46/09/13/616460913.db2.gz	CGMXGIBYTLSWGE-GFCCVEGCSA-N	0	0	273.336	0.574	10	10		CCCERN
COC(=O)[C@](C)(Cc1ccc(N)cc1)NC(C)=O	ZINC000039374007	348230195	/nfs/dbraw/zinc/23/01/95/348230195.db2.gz	XDRJMGBTRLSKNE-ZDUSSCGKSA-N	0	0	250.298	0.879	10	10		CCCERN
C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N)cc1	ZINC000104130504	185903092	/nfs/dbraw/zinc/90/30/92/185903092.db2.gz	UXDSGHZCNHBCAW-SECBINFHSA-N	0	0	262.313	0.028	10	10		CCCERN
CS(=O)(=O)N1CC[C@@H](Oc2ccc(N)cc2)C1	ZINC000215500314	351936078	/nfs/dbraw/zinc/93/60/78/351936078.db2.gz	RCAHOIBFHBJABJ-LLVKDONJSA-N	0	0	256.327	0.682	10	10		CCCERN
CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(N)cc1	ZINC000020388018	171177496	/nfs/dbraw/zinc/17/74/96/171177496.db2.gz	OYKKBBYLQUHZNB-MRVPVSSYSA-N	0	0	251.286	0.882	10	10		CCCERN
CNC(=O)NC(=O)[C@@H](C)N(C)c1ccc(N)cc1	ZINC000020422581	171189131	/nfs/dbraw/zinc/18/91/31/171189131.db2.gz	DMCUBAVOAJZYTH-MRVPVSSYSA-N	0	0	250.302	0.549	10	10		CCCERN
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)C1	ZINC000022153060	171360017	/nfs/dbraw/zinc/36/00/17/171360017.db2.gz	CHFFWZOQSDDRKZ-SECBINFHSA-N	0	0	262.313	0.028	10	10		CCCERN
CC(C)S(=O)(=O)NCCOc1ccc(N)cc1	ZINC000038079600	174089400	/nfs/dbraw/zinc/08/94/00/174089400.db2.gz	DJHORTOSEXDDNM-UHFFFAOYSA-N	0	0	258.343	0.975	10	10		CCCERN
CN(C)c1ccc(CN(C)C(=O)[C@H]2CNC(=O)C2)cc1	ZINC000110358504	616167255	/nfs/dbraw/zinc/16/72/55/616167255.db2.gz	DCXJQBCHQHZEGG-GFCCVEGCSA-N	0	0	275.352	0.847	10	10		CCCERN
[O-]c1c(Br)cccc1C[NH2+]C(CO)CO	ZINC000083690381	349308793	/nfs/dbraw/zinc/30/87/93/349308793.db2.gz	KVGYVYOAGUXWRU-UHFFFAOYSA-N	0	0	276.130	0.598	10	10		CCCERN
Cn1c(N)c(/N=N/c2ccccn2)c(=O)n(C)c1=O	ZINC000584639405	359185004	/nfs/dbraw/zinc/18/50/04/359185004.db2.gz	CODOEFAXNLRSNX-CCEZHUSRSA-N	0	0	260.257	0.477	10	10		CCCERN
Cn1cc(C(=O)NCCOc2ccc(N)cc2)cn1	ZINC000038079576	174089478	/nfs/dbraw/zinc/08/94/78/174089478.db2.gz	KWSPFFNYGYKJMD-UHFFFAOYSA-N	0	0	260.297	0.811	10	10		CCCERN
C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000060399408	637044492	/nfs/dbraw/zinc/04/44/92/637044492.db2.gz	XIASGDLTCMBMLZ-LLVKDONJSA-N	0	0	290.367	0.960	10	10		CCCERN
O=C(N[C@@H]1CCCn2ncnc21)c1cccc(O)c1O	ZINC000193130187	351812611	/nfs/dbraw/zinc/81/26/11/351812611.db2.gz	KERHEFZYGKOSAO-SECBINFHSA-N	0	0	274.280	0.954	10	10		CCCERN
CNC(=O)CN(C)c1cc2c(cc1N)NC(=O)CC2	ZINC000035341504	172133612	/nfs/dbraw/zinc/13/36/12/172133612.db2.gz	QBQKVROSRPFNEV-UHFFFAOYSA-N	0	0	262.313	0.336	10	10		CCCERN
CC(C)(C)NC(=O)CNC(=O)Cc1ccc(N)cc1	ZINC000035661178	172338578	/nfs/dbraw/zinc/33/85/78/172338578.db2.gz	OHSGBUYIDBTGOI-UHFFFAOYSA-N	0	0	263.341	0.842	10	10		CCCERN
O=C(CN1CCS(=O)(=O)CC1)c1ccc(O)c(O)c1	ZINC000037339380	173140121	/nfs/dbraw/zinc/14/01/21/173140121.db2.gz	UQQUQCVUAMEFHF-UHFFFAOYSA-N	0	0	285.321	0.011	10	10		CCCERN
O=C1N[C@@H](c2cc(F)ccc2O)N2CCOC[C@@H]12	ZINC000180269579	261850936	/nfs/dbraw/zinc/85/09/36/261850936.db2.gz	QLZJFNYKTOZGEX-GXSJLCMTSA-N	0	0	252.245	0.361	10	10		CCCERN
O=C(c1cccc(O)c1O)N1CC(n2cccn2)C1	ZINC000370131744	267293203	/nfs/dbraw/zinc/29/32/03/267293203.db2.gz	ITNJTTLREJNEHH-UHFFFAOYSA-N	0	0	259.265	0.991	10	10		CCCERN
CCOc1ccc(O)c([C@@H]2NC(=O)[C@H]3COCCN32)c1	ZINC000093884802	349556733	/nfs/dbraw/zinc/55/67/33/349556733.db2.gz	AQNVNULSBFPBEY-DGCLKSJQSA-N	0	0	278.308	0.620	10	10		CCCERN
O=c1[nH]c2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000146827312	350466722	/nfs/dbraw/zinc/46/67/22/350466722.db2.gz	ONGOWEUUOKAXHC-UHFFFAOYSA-N	0	0	292.250	0.992	10	10		CCCERN
CC1(C)OC(=O)C(C=Nc2ccc[n+]([O-])c2)C(=O)O1	ZINC000208787455	351927507	/nfs/dbraw/zinc/92/75/07/351927507.db2.gz	PQLAQJZLGWKNBJ-UHFFFAOYSA-N	0	0	264.237	0.452	10	10		CCCERN
O=C(NCCc1ccc(O)c(O)c1)C1=NCCCN1	ZINC000256030829	352546373	/nfs/dbraw/zinc/54/63/73/352546373.db2.gz	SQNJTAOJIXOECF-UHFFFAOYSA-N	0	0	263.297	0.148	10	10		CCCERN
COc1cc(OC)c(N(CCO)CCO)c(OC)c1	ZINC000584603310	359178924	/nfs/dbraw/zinc/17/89/24/359178924.db2.gz	UNFZJVHEVALSBI-UHFFFAOYSA-N	0	0	271.313	0.503	10	10		CCCERN
CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(N)cc2)C1=O	ZINC000019272245	170767820	/nfs/dbraw/zinc/76/78/20/170767820.db2.gz	ORGDHKCEDFIRNB-LLVKDONJSA-N	0	0	290.323	0.928	10	10		CCCERN
CCN1C(=O)C(=CNn2cnnc2)SC1=S	ZINC000101762379	276145627	/nfs/dbraw/zinc/14/56/27/276145627.db2.gz	NCJKKWOZBYFFDS-ZZXKWVIFSA-N	0	0	255.328	0.543	10	10		CCCERN
COc1ccc(O)c([C@@H]2NC(=O)[C@H]3COCCN32)c1	ZINC000093885538	295167136	/nfs/dbraw/zinc/16/71/36/295167136.db2.gz	ZIMYZSRLGHGYJX-ZYHUDNBSSA-N	0	0	264.281	0.230	10	10		CCCERN
Nc1cc2c(cc1N1CCS(=O)CC1)OCCO2	ZINC000049692513	527462634	/nfs/dbraw/zinc/46/26/34/527462634.db2.gz	BLPPXFIBHIQSPG-UHFFFAOYSA-N	0	0	268.338	0.609	10	10		CCCERN
O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)C1=CC(=O)CS1	ZINC000909187819	635541747	/nfs/dbraw/zinc/54/17/47/635541747.db2.gz	PSURWLANQOBUMS-WCABBAIRSA-N	0	0	279.321	0.755	10	10		CCCERN
COc1cccc([C@@H]2NC(=O)[C@@H]3COCCN23)c1O	ZINC000093883300	389038227	/nfs/dbraw/zinc/03/82/27/389038227.db2.gz	DMUUGMZGVKMIJI-JOYOIKCWSA-N	0	0	264.281	0.230	10	10		CCCERN
Cn1cnnc1CNC(=O)CCc1ccc(N)cc1	ZINC000040335575	174242050	/nfs/dbraw/zinc/24/20/50/174242050.db2.gz	JOYMYUPJMXZXOO-UHFFFAOYSA-N	0	0	259.313	0.646	10	10		CCCERN
COC(=O)CCN(C)C(=O)COc1ccc(N)cc1	ZINC000042550528	174789938	/nfs/dbraw/zinc/78/99/38/174789938.db2.gz	FMXVJNAXGICOJI-UHFFFAOYSA-N	0	0	266.297	0.669	10	10		CCCERN
COc1cccc([C@@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000093883298	260526699	/nfs/dbraw/zinc/52/66/99/260526699.db2.gz	DMUUGMZGVKMIJI-BXKDBHETSA-N	0	0	264.281	0.230	10	10		CCCERN
CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	ZINC000036798859	524015534	/nfs/dbraw/zinc/01/55/34/524015534.db2.gz	ATPHBBOKNMZBAT-CYBMUJFWSA-N	0	0	275.352	0.891	10	10		CCCERN
O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)C1=CC(=O)CS1	ZINC000909187820	635542193	/nfs/dbraw/zinc/54/21/93/635542193.db2.gz	PSURWLANQOBUMS-YWVKMMECSA-N	0	0	279.321	0.755	10	10		CCCERN
CC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000189248134	351661778	/nfs/dbraw/zinc/66/17/78/351661778.db2.gz	MHDBCAAKSHSFEX-UHFFFAOYSA-N	0	0	290.367	0.783	10	10		CCCERN
O=[N+]([O-])c1c(Cl)cc2c(no[n+]2[O-])c1NCCO	ZINC000584639697	359185085	/nfs/dbraw/zinc/18/50/85/359185085.db2.gz	VJFFZWBWRUPDTN-UHFFFAOYSA-N	0	0	274.620	0.427	10	10		CCCERN
CN(C)c1ccc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1	ZINC000093883256	389037933	/nfs/dbraw/zinc/03/79/33/389037933.db2.gz	VAGGWXBBFWEUSA-QWHCGFSZSA-N	0	0	261.325	0.582	10	10		CCCERN
NC(=O)[C@H]1CCCN1c1cc2c(cc1N)OCCO2	ZINC000020294077	171134036	/nfs/dbraw/zinc/13/40/36/171134036.db2.gz	BAHIQGBSMYJYSL-SECBINFHSA-N	0	0	263.297	0.494	10	10		CCCERN
CNC(=O)NC(=O)[C@H](C)N(C)c1ccc(N)cc1	ZINC000020422582	171189155	/nfs/dbraw/zinc/18/91/55/171189155.db2.gz	DMCUBAVOAJZYTH-QMMMGPOBSA-N	0	0	250.302	0.549	10	10		CCCERN
N=[N+]([O-])c1cnn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000020428835	171194161	/nfs/dbraw/zinc/19/41/61/171194161.db2.gz	WYEARUGBUSPYGS-SECBINFHSA-N	0	0	281.232	0.222	10	10		CCCERN
CN1CCc2cc([C@H]3NC(=O)[C@@H]4COCCN43)ccc21	ZINC000245791432	329749244	/nfs/dbraw/zinc/74/92/44/329749244.db2.gz	WDPKEUPKJYYUME-KBPBESRZSA-N	0	0	273.336	0.508	10	10		CCCERN
CCN1CCO[C@@H](CNC(=O)c2cccc(O)c2O)C1	ZINC000166080914	636917413	/nfs/dbraw/zinc/91/74/13/636917413.db2.gz	YUXGMQXBQHPGIO-JTQLQIEISA-N	0	0	280.324	0.548	10	10		CCCERN
CN(C)c1ccc(CN(C)C(=O)[C@@H]2COCCN2)cc1	ZINC000088370436	649638866	/nfs/dbraw/zinc/63/88/66/649638866.db2.gz	ZRHYTDFBRZFJHW-AWEZNQCLSA-N	0	0	277.368	0.699	10	10		CCCERN
Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(O)c1O	ZINC000177670979	389588984	/nfs/dbraw/zinc/58/89/84/389588984.db2.gz	KIAMJZZVJFYOFS-NSHDSACASA-N	0	0	294.351	0.857	10	10		CCCERN
CC[C@@H]1SC(=S)N(CCC(=O)NCCO)C1=O	ZINC000011635872	170430448	/nfs/dbraw/zinc/43/04/48/170430448.db2.gz	QXZQJWWCFWOQID-ZETCQYMHSA-N	0	0	276.383	0.124	10	10		CCCERN
CCNS(=O)(=O)CC[NH2+]Cc1cccc(F)c1[O-]	ZINC000226595365	636989637	/nfs/dbraw/zinc/98/96/37/636989637.db2.gz	ZJMLZKSDZUYAIL-UHFFFAOYSA-N	0	0	276.333	0.560	10	10		CCCERN
O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(O)c1O	ZINC000193066638	351809857	/nfs/dbraw/zinc/80/98/57/351809857.db2.gz	IKLWKWOVIIMQSV-MRVPVSSYSA-N	0	0	274.280	0.434	10	10		CCCERN
CN(C)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1	ZINC000093883257	389038332	/nfs/dbraw/zinc/03/83/32/389038332.db2.gz	VAGGWXBBFWEUSA-STQMWFEESA-N	0	0	261.325	0.582	10	10		CCCERN
COC(=O)[C@@H](CO)NC(=O)/C=C/c1ccc(N(C)C)cc1	ZINC000035219619	172060295	/nfs/dbraw/zinc/06/02/95/172060295.db2.gz	IHEJGVLVZYGKNF-YSKGHYERSA-N	0	0	292.335	0.416	10	10		CCCERN
Nc1ccc(CS(=O)(=O)N2CCC[C@H](O)C2)cc1	ZINC000035612027	172298922	/nfs/dbraw/zinc/29/89/22/172298922.db2.gz	FSARRJYTEQEITD-LBPRGKRZSA-N	0	0	270.354	0.555	10	10		CCCERN
CN1CCc2cc([C@@H]3NC(=O)[C@H]4COCCN43)ccc21	ZINC000093884160	290252786	/nfs/dbraw/zinc/25/27/86/290252786.db2.gz	WDPKEUPKJYYUME-ZIAGYGMSSA-N	0	0	273.336	0.508	10	10		CCCERN
CNC(=O)Cn1cc(NCc2cc(OC)ccc2O)cn1	ZINC000037787294	524076474	/nfs/dbraw/zinc/07/64/74/524076474.db2.gz	INHGDFZCVPNUIH-UHFFFAOYSA-N	0	0	290.323	0.955	10	10		CCCERN
Cc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)n1	ZINC000061809983	525974840	/nfs/dbraw/zinc/97/48/40/525974840.db2.gz	ALDKNZMCOVJKSS-UHFFFAOYSA-N	0	0	258.281	0.773	10	10		CCCERN
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CNC(=O)C2)c1	ZINC000103529007	617274265	/nfs/dbraw/zinc/27/42/65/617274265.db2.gz	QTHSWFHKNGIOMW-DTWKUNHWSA-N	0	0	278.308	0.714	10	10		CCCERN
C[C@@H](CNC(=O)c1cccc(O)c1O)N1CCOCC1	ZINC000186904387	625429033	/nfs/dbraw/zinc/42/90/33/625429033.db2.gz	FCBMLZBIRCSULN-JTQLQIEISA-N	0	0	280.324	0.548	10	10		CCCERN
C[C@H](CNC(=O)c1cccc(O)c1O)N1CCOCC1	ZINC000186904405	625429225	/nfs/dbraw/zinc/42/92/25/625429225.db2.gz	FCBMLZBIRCSULN-SNVBAGLBSA-N	0	0	280.324	0.548	10	10		CCCERN
C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)C1CC1	ZINC000031435105	637578543	/nfs/dbraw/zinc/57/85/43/637578543.db2.gz	UNGQIYVNNXKINE-ZETCQYMHSA-N	0	0	251.286	0.309	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2CO)c1O	ZINC000185180341	388791983	/nfs/dbraw/zinc/79/19/83/388791983.db2.gz	GIJXVOQOBFUBAT-VXGBXAGGSA-N	0	0	283.299	0.661	10	10		CCCERN
CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1O	ZINC000093884993	389038269	/nfs/dbraw/zinc/03/82/69/389038269.db2.gz	UHMFZSNBFUMQDN-GWCFXTLKSA-N	0	0	278.308	0.620	10	10		CCCERN
CN(C)C(=O)CN(C)CC(=O)Nc1ccc(N)cc1	ZINC000037269932	173081257	/nfs/dbraw/zinc/08/12/57/173081257.db2.gz	JECGITOBJPYXFI-UHFFFAOYSA-N	0	0	264.329	0.227	10	10		CCCERN
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCO1	ZINC000038055592	174067200	/nfs/dbraw/zinc/06/72/00/174067200.db2.gz	SUHWDTLQEURZKG-SNVBAGLBSA-N	0	0	250.298	0.895	10	10		CCCERN
C[C@@H](c1ccccc1O)N(C)C(=O)Cn1cnnn1	ZINC000038089602	174103437	/nfs/dbraw/zinc/10/34/37/174103437.db2.gz	CBDUBCDGWLXOFY-VIFPVBQESA-N	0	0	261.285	0.598	10	10		CCCERN
O=C1N[C@@H](c2cc(Cl)ccc2O)N2CCOC[C@@H]12	ZINC000093883700	330426278	/nfs/dbraw/zinc/42/62/78/330426278.db2.gz	MEKGFBAAIKMFAY-GXSJLCMTSA-N	0	0	268.700	0.875	10	10		CCCERN
CC[C@@H](C(N)=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000061677766	521896991	/nfs/dbraw/zinc/89/69/91/521896991.db2.gz	HRRPASDDSISKTK-ZDUSSCGKSA-N	0	0	262.357	0.655	10	10		CCCERN
CC[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000188432196	351595552	/nfs/dbraw/zinc/59/55/52/351595552.db2.gz	IKGWKKLFMJLUMH-LLVKDONJSA-N	0	0	294.351	0.627	10	10		CCCERN
CN1CCCc2cc([C@H]3NC(=O)[C@H]4COCCN43)ccc21	ZINC000180262820	389668439	/nfs/dbraw/zinc/66/84/39/389668439.db2.gz	IKLHSTXDYLGJAK-CABCVRRESA-N	0	0	287.363	0.898	10	10		CCCERN
Cn1c2[nH]c(Nc3ccc(N)cc3)nc2c(=O)n(C)c1=O	ZINC000019802463	170871073	/nfs/dbraw/zinc/87/10/73/170871073.db2.gz	CMQRSAYSHNFRKS-UHFFFAOYSA-N	0	0	286.295	0.286	10	10		CCCERN
CC(C)NC(=O)CNC(=O)Nc1ccc(N)cc1	ZINC000036782075	172699758	/nfs/dbraw/zinc/69/97/58/172699758.db2.gz	UWFRABUHVAOZKF-UHFFFAOYSA-N	0	0	250.302	0.915	10	10		CCCERN
CN(C)c1ccc(CNC(=O)C2=NNC(=O)CC2)cc1	ZINC000040418915	522184566	/nfs/dbraw/zinc/18/45/66/522184566.db2.gz	PCQMLEPHTKOMTJ-UHFFFAOYSA-N	0	0	274.324	0.635	10	10		CCCERN
CCCC(=O)NCC(=O)NCc1cccc(OC)c1O	ZINC000105651723	614887671	/nfs/dbraw/zinc/88/76/71/614887671.db2.gz	MVFIFGJVDSFLAU-UHFFFAOYSA-N	0	0	280.324	0.933	10	10		CCCERN
O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)C1=CC(=O)CS1	ZINC000909187818	635542213	/nfs/dbraw/zinc/54/22/13/635542213.db2.gz	PSURWLANQOBUMS-KKZNHRDASA-N	0	0	279.321	0.755	10	10		CCCERN
Nc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000035407777	348159243	/nfs/dbraw/zinc/15/92/43/348159243.db2.gz	SNLHXMDPSIUPOX-JTQLQIEISA-N	0	0	269.326	0.577	10	10		CCCERN
CO[C@@]1(C(=O)NCc2ccccc2O)CCOC1	ZINC000276523565	389516883	/nfs/dbraw/zinc/51/68/83/389516883.db2.gz	LSLXJWPHAOTFLY-ZDUSSCGKSA-N	0	0	251.282	0.814	10	10		CCCERN
COC(=O)CN(C)S(=O)(=O)Cc1ccc(N)cc1	ZINC000021019823	171290361	/nfs/dbraw/zinc/29/03/61/171290361.db2.gz	MFDWBRZCLXOPQJ-UHFFFAOYSA-N	0	0	272.326	0.203	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2CCO[C@H](CO)C2)c1O	ZINC000094351244	518287119	/nfs/dbraw/zinc/28/71/19/518287119.db2.gz	WPVIJGLFYJFNGJ-LBPRGKRZSA-N	0	0	283.299	0.927	10	10		CCCERN
CC(C)[C@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000072680419	519813034	/nfs/dbraw/zinc/81/30/34/519813034.db2.gz	SCRCEDNSMMYRGB-QMMMGPOBSA-N	0	0	253.302	0.555	10	10		CCCERN
COCCNCc1nnnn1-c1ccc(OC)cc1	ZINC000054744284	523956664	/nfs/dbraw/zinc/95/66/64/523956664.db2.gz	LASJBHDENPJQLP-UHFFFAOYSA-N	0	0	263.301	0.407	10	10		CCCERN
CC(C)(CO)[C@@H](O)C(=O)NCCc1ccc(N)cc1	ZINC000584600089	359177422	/nfs/dbraw/zinc/17/74/22/359177422.db2.gz	LNBCDUZUZYBHNA-LBPRGKRZSA-N	0	0	266.341	0.307	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2CO)c1O	ZINC000185180358	388791195	/nfs/dbraw/zinc/79/11/95/388791195.db2.gz	GIJXVOQOBFUBAT-NEPJUHHUSA-N	0	0	283.299	0.661	10	10		CCCERN
Nc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1	ZINC000022177236	171370941	/nfs/dbraw/zinc/37/09/41/171370941.db2.gz	XHLIZJXVPDEILC-UHFFFAOYSA-N	0	0	265.294	0.903	10	10		CCCERN
Nc1ccc(CS(=O)(=O)N2CCCC[C@@H]2CO)cc1	ZINC000036129107	172450747	/nfs/dbraw/zinc/45/07/47/172450747.db2.gz	PRMGULXSYYHBSQ-CYBMUJFWSA-N	0	0	284.381	0.945	10	10		CCCERN
C[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C	ZINC000187140672	262126060	/nfs/dbraw/zinc/12/60/60/262126060.db2.gz	HBPOBQJYZLDJQO-WDEREUQCSA-N	0	0	294.351	0.625	10	10		CCCERN
CNC(=O)Cn1cc(NCc2cccc(OC)c2O)cn1	ZINC000037787017	524076486	/nfs/dbraw/zinc/07/64/86/524076486.db2.gz	FTFIPGBJGCLMOI-UHFFFAOYSA-N	0	0	290.323	0.955	10	10		CCCERN
CC1(C)NC(=O)N(CCC(=O)Nc2ccc(N)cc2)C1=O	ZINC000019395156	170782724	/nfs/dbraw/zinc/78/27/24/170782724.db2.gz	BUAQWQIYYANDJU-UHFFFAOYSA-N	0	0	290.323	0.928	10	10		CCCERN
N=[N+]([O-])c1cnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000020428833	171194032	/nfs/dbraw/zinc/19/40/32/171194032.db2.gz	WYEARUGBUSPYGS-VIFPVBQESA-N	0	0	281.232	0.222	10	10		CCCERN
CO[C@@H]1C[C@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2C1	ZINC000037515097	173246707	/nfs/dbraw/zinc/24/67/07/173246707.db2.gz	CUFOBNFVLNEEPQ-MNOVXSKESA-N	0	0	261.281	0.825	10	10		CCCERN
COC(=O)CCNC(=O)CCc1ccc(N)cc1	ZINC000038051741	174063629	/nfs/dbraw/zinc/06/36/29/174063629.db2.gz	CHAHKZYNNXKUDF-UHFFFAOYSA-N	0	0	250.298	0.881	10	10		CCCERN
COCCOCC(=O)NCc1ccc2c(c1)CCN2C	ZINC000169817613	544733622	/nfs/dbraw/zinc/73/36/22/544733622.db2.gz	JTEPMMPXKSXHRO-UHFFFAOYSA-N	0	0	278.352	0.958	10	10		CCCERN
C[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C	ZINC000187140654	262125994	/nfs/dbraw/zinc/12/59/94/262125994.db2.gz	HBPOBQJYZLDJQO-GHMZBOCLSA-N	0	0	294.351	0.625	10	10		CCCERN
CN(C)c1noc(CNCc2cc3c(cc2O)OCO3)n1	ZINC000191901983	649493718	/nfs/dbraw/zinc/49/37/18/649493718.db2.gz	GCSZRRPJUWTPSZ-UHFFFAOYSA-N	0	0	292.295	0.860	10	10		CCCERN
COc1ccc2c(c1)[C@]1(C)CN(C)C(=O)[C@@]1(O)N2C	ZINC000032106202	348130423	/nfs/dbraw/zinc/13/04/23/348130423.db2.gz	MLYAWYWMHFLNLT-KBPBESRZSA-N	0	0	262.309	0.563	10	10		CCCERN
CN1CCc2cc([C@H]3NC(=O)[C@H]4COCCN43)ccc21	ZINC000093884161	283171910	/nfs/dbraw/zinc/17/19/10/283171910.db2.gz	WDPKEUPKJYYUME-KGLIPLIRSA-N	0	0	273.336	0.508	10	10		CCCERN
COC(CNC(=O)CCc1ccc(N)cc1)OC	ZINC000020186656	171051121	/nfs/dbraw/zinc/05/11/21/171051121.db2.gz	QAKORLZAWUYWDA-UHFFFAOYSA-N	0	0	252.314	0.937	10	10		CCCERN
Nc1ccc(NC(=S)NC[C@H]2CCS(=O)(=O)C2)cc1	ZINC000040166777	174198538	/nfs/dbraw/zinc/19/85/38/174198538.db2.gz	CHEGKLFMDQGUEC-SECBINFHSA-N	0	0	299.421	0.990	10	10		CCCERN
Cn1cc([C@H]2CNCCN2C(=O)Cc2ccc(N)cc2)cn1	ZINC000181353287	329231920	/nfs/dbraw/zinc/23/19/20/329231920.db2.gz	WZQQRURQXJTILE-OAHLLOKOSA-N	0	0	299.378	0.718	10	10		CCCERN
CC1(C)C(=O)NCCN1Cc1cc2c(cc1O)OCO2	ZINC000093084884	625759759	/nfs/dbraw/zinc/75/97/59/625759759.db2.gz	FTECQYZUAGBNRJ-UHFFFAOYSA-N	0	0	278.308	0.831	10	10		CCCERN
C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000895327527	632060719	/nfs/dbraw/zinc/06/07/19/632060719.db2.gz	DLLNEHBORQKQJO-MFKMUULPSA-N	0	0	255.289	0.849	10	10		CCCERN
CN1CCCc2cc(CNC(=O)[C@H]3CNC(=O)C3)ccc21	ZINC000194924149	649588150	/nfs/dbraw/zinc/58/81/50/649588150.db2.gz	JIIASGITKXDMLE-CYBMUJFWSA-N	0	0	287.363	0.821	10	10		CCCERN
COC[C@H](O)CN(C)S(=O)(=O)Cc1ccc(N)cc1	ZINC000042483614	184554181	/nfs/dbraw/zinc/55/41/81/184554181.db2.gz	ZVFNNAAOIDXEPM-GFCCVEGCSA-N	0	0	288.369	0.038	10	10		CCCERN
CCNC(=O)NC(=O)[C@H](C)Oc1ccc(N)cc1	ZINC000020388024	171177699	/nfs/dbraw/zinc/17/76/99/171177699.db2.gz	OYKKBBYLQUHZNB-QMMMGPOBSA-N	0	0	251.286	0.882	10	10		CCCERN
CO[C@@H]1C[C@@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2C1	ZINC000037515093	173246740	/nfs/dbraw/zinc/24/67/40/173246740.db2.gz	CUFOBNFVLNEEPQ-GHMZBOCLSA-N	0	0	261.281	0.825	10	10		CCCERN
COCCS(=O)(=O)NCc1cc(N)ccc1O	ZINC000042807669	174883414	/nfs/dbraw/zinc/88/34/14/174883414.db2.gz	PBQYBMGBZRRFFB-UHFFFAOYSA-N	0	0	260.315	0.040	10	10		CCCERN
CS(=O)(=O)c1cnn(CCOc2ccc(N)cc2)c1	ZINC000725251613	545877312	/nfs/dbraw/zinc/87/73/12/545877312.db2.gz	CMUGRFDGPUIOPC-UHFFFAOYSA-N	0	0	281.337	0.948	10	10		CCCERN
CO[C@]1(C(=O)NCc2ccccc2O)CCOC1	ZINC000276523562	334802354	/nfs/dbraw/zinc/80/23/54/334802354.db2.gz	LSLXJWPHAOTFLY-CYBMUJFWSA-N	0	0	251.282	0.814	10	10		CCCERN
CCOc1cccc([C@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000093884991	521425520	/nfs/dbraw/zinc/42/55/20/521425520.db2.gz	UHMFZSNBFUMQDN-MFKMUULPSA-N	0	0	278.308	0.620	10	10		CCCERN
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)c1	ZINC000103529018	617274098	/nfs/dbraw/zinc/27/40/98/617274098.db2.gz	QTHSWFHKNGIOMW-BDAKNGLRSA-N	0	0	278.308	0.714	10	10		CCCERN
COc1cc(OC)c(N(CCO)CCO)cc1OC	ZINC000584603086	359178965	/nfs/dbraw/zinc/17/89/65/359178965.db2.gz	MKYBGQCLJVKRRE-UHFFFAOYSA-N	0	0	271.313	0.503	10	10		CCCERN
CN(C)c1ccc([C@H]2NC(=O)[C@H]3COCCN32)cc1	ZINC000093883255	389038006	/nfs/dbraw/zinc/03/80/06/389038006.db2.gz	VAGGWXBBFWEUSA-OLZOCXBDSA-N	0	0	261.325	0.582	10	10		CCCERN
CN1CCCc2cc([C@@H]3NC(=O)[C@@H]4COCCN34)ccc21	ZINC000245723931	389217055	/nfs/dbraw/zinc/21/70/55/389217055.db2.gz	IKLHSTXDYLGJAK-LSDHHAIUSA-N	0	0	287.363	0.898	10	10		CCCERN
CN(C)c1nc(N)nc(COc2ccc(N)cc2)n1	ZINC000038055562	174067151	/nfs/dbraw/zinc/06/71/51/174067151.db2.gz	CQFUMNBIHLZLIE-UHFFFAOYSA-N	0	0	260.301	0.681	10	10		CCCERN
C[C@@]1(NC(=O)Nc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000040166779	174198086	/nfs/dbraw/zinc/19/80/86/174198086.db2.gz	DHJOQYJFUSHOJX-GFCCVEGCSA-N	0	0	283.353	0.968	10	10		CCCERN
Nc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	ZINC000040166775	174198447	/nfs/dbraw/zinc/19/84/47/174198447.db2.gz	COXWZUYRJLNSSN-SECBINFHSA-N	0	0	283.353	0.825	10	10		CCCERN
CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O	ZINC000190381300	329395690	/nfs/dbraw/zinc/39/56/90/329395690.db2.gz	HFOLYVAQAGIIND-GQCTYLIASA-N	0	0	290.319	0.802	10	10		CCCERN
COc1ccc(O)c(CNC(=O)N2CCOCC2)c1	ZINC000114512439	617272994	/nfs/dbraw/zinc/27/29/94/617272994.db2.gz	ADDWHAKPQGYZON-UHFFFAOYSA-N	0	0	266.297	0.943	10	10		CCCERN
Nc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000036283849	348163528	/nfs/dbraw/zinc/16/35/28/348163528.db2.gz	PYVHBMBMLFMNNR-JTQLQIEISA-N	0	0	290.366	0.198	10	10		CCCERN
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CNC(=O)C1	ZINC000173196649	389498881	/nfs/dbraw/zinc/49/88/81/389498881.db2.gz	BFQNIJIXDSOFIY-JTQLQIEISA-N	0	0	289.335	0.614	10	10		CCCERN
CN(C)c1ccc(CNC(=O)CSC[C@@H](O)CO)cc1	ZINC000177415157	389582163	/nfs/dbraw/zinc/58/21/63/389582163.db2.gz	CAGKVEDFIMZVKD-ZDUSSCGKSA-N	0	0	298.408	0.455	10	10		CCCERN
Cc1cc(O)c([C@H]2NC(=O)[C@H]3COCCN32)cc1C	ZINC000093885079	291969858	/nfs/dbraw/zinc/96/98/58/291969858.db2.gz	ISUNGJLJFUOHNL-YPMHNXCESA-N	0	0	262.309	0.838	10	10		CCCERN
COC(=O)CCCNC(=O)COc1ccc(N)cc1	ZINC000038055424	174067079	/nfs/dbraw/zinc/06/70/79/174067079.db2.gz	QLRKXJZGOMTQNQ-UHFFFAOYSA-N	0	0	266.297	0.717	10	10		CCCERN
CC([O-])=C([N+]#N)C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000038339230	174140007	/nfs/dbraw/zinc/14/00/07/174140007.db2.gz	HEKGSEIAAGMGPL-UHFFFAOYSA-N	0	0	263.209	0.898	10	10		CCCERN
CN(C)S(=O)(=O)NCCN(C)c1ccc(N)cc1	ZINC000076415242	177021397	/nfs/dbraw/zinc/02/13/97/177021397.db2.gz	BPEPFCCQLCIWGI-UHFFFAOYSA-N	0	0	272.374	0.101	10	10		CCCERN
CN1CCCN(C(=O)c2cccc(O)c2O)CC1=O	ZINC000364001851	335895341	/nfs/dbraw/zinc/89/53/41/335895341.db2.gz	UKRKRQPIAQSJPU-UHFFFAOYSA-N	0	0	264.281	0.402	10	10		CCCERN
COC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1	ZINC000049351511	523880570	/nfs/dbraw/zinc/88/05/70/523880570.db2.gz	RWYLEOOUDUHFOZ-QMMMGPOBSA-N	0	0	252.270	0.325	10	10		CCCERN
O=C(N[C@@H]1CCCNC1=O)c1cccc(O)c1O	ZINC000126373761	646744796	/nfs/dbraw/zinc/74/47/96/646744796.db2.gz	RENDLVDWBRXCAM-MRVPVSSYSA-N	0	0	250.254	0.106	10	10		CCCERN
CCOc1ccc(O)c([C@H]2NC(=O)[C@@H]3COCCN32)c1	ZINC000093884805	349556771	/nfs/dbraw/zinc/55/67/71/349556771.db2.gz	AQNVNULSBFPBEY-AAEUAGOBSA-N	0	0	278.308	0.620	10	10		CCCERN
CCS(=O)(=O)[N-][N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000019321747	348060219	/nfs/dbraw/zinc/06/02/19/348060219.db2.gz	OTHKTNXEVSULQO-KTKRTIGZSA-N	0	0	297.289	0.055	10	10		CCCERN
CN(C)S(=O)(=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000035367326	348158882	/nfs/dbraw/zinc/15/88/82/348158882.db2.gz	LKEIGVIPZFBGFE-UHFFFAOYSA-N	0	0	284.385	0.197	10	10		CCCERN
C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(O)c1O	ZINC000282273575	353409303	/nfs/dbraw/zinc/40/93/03/353409303.db2.gz	UUPVBGSITHFGAN-VXNVDRBHSA-N	0	0	264.281	0.495	10	10		CCCERN
CCCC(=O)C(=O)c1cn(S(=O)(=O)N(C)C)cn1	ZINC000584647570	397583676	/nfs/dbraw/zinc/58/36/76/397583676.db2.gz	DLPSKZAHQXXSHB-UHFFFAOYSA-N	0	0	273.314	0.090	10	10		CCCERN
Nc1ccc(NS(=O)(=O)N2CCOCC2)cc1	ZINC000020254561	171108078	/nfs/dbraw/zinc/10/80/78/171108078.db2.gz	VNTVYFXTENGXPK-UHFFFAOYSA-N	0	0	257.315	0.258	10	10		CCCERN
Nc1ccc(OCCNS(=O)(=O)N2CCCC2)cc1	ZINC000038079618	174089386	/nfs/dbraw/zinc/08/93/86/174089386.db2.gz	RZPOBMYJWLXGOO-UHFFFAOYSA-N	0	0	285.369	0.578	10	10		CCCERN
COc1cc(Cl)cc([C@@H]2NC(=O)[C@@H]3COCCN23)c1O	ZINC000183632861	329251669	/nfs/dbraw/zinc/25/16/69/329251669.db2.gz	IESZESQTIVXJMW-JOYOIKCWSA-N	0	0	298.726	0.883	10	10		CCCERN
COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C	ZINC000126487519	616685646	/nfs/dbraw/zinc/68/56/46/616685646.db2.gz	FNFBDNOFRUTUPC-SCZZXKLOSA-N	0	0	279.292	0.979	10	10		CCCERN
CCN1CCO[C@H](CNC(=O)c2cccc(O)c2O)C1	ZINC000166080795	636917210	/nfs/dbraw/zinc/91/72/10/636917210.db2.gz	YUXGMQXBQHPGIO-SNVBAGLBSA-N	0	0	280.324	0.548	10	10		CCCERN
CN1CCS/C1=C\C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000100287651	283037851	/nfs/dbraw/zinc/03/78/51/283037851.db2.gz	RMRBWMGKRIPABI-UITAMQMPSA-N	0	0	281.337	0.483	10	10		CCCERN
COC(=O)c1ccc(Cn2ccncc2=O)c(O)c1	ZINC000584597528	359177560	/nfs/dbraw/zinc/17/75/60/359177560.db2.gz	ADWUQEOYPXJUCL-UHFFFAOYSA-N	0	0	260.249	0.784	10	10		CCCERN
CN1CCO[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1	ZINC000158805334	389351980	/nfs/dbraw/zinc/35/19/80/389351980.db2.gz	MZMSDMZDBNQTNA-NSHDSACASA-N	0	0	254.305	0.952	10	10		CCCERN
C[C@@H]1SC(=S)N(CC(=O)NC[C@H]2CCCO2)C1=O	ZINC000011635496	170430112	/nfs/dbraw/zinc/43/01/12/170430112.db2.gz	LURIUDHHSXTYRK-JGVFFNPUSA-N	0	0	288.394	0.530	10	10		CCCERN
CCNC(=O)[C@@H](C)NC(=O)CCc1ccc(N)cc1	ZINC000038051716	174063377	/nfs/dbraw/zinc/06/33/77/174063377.db2.gz	PIXRZCNKSDLSTK-SNVBAGLBSA-N	0	0	263.341	0.842	10	10		CCCERN
Nc1ccc(OCCC(=O)N2CCOCC2)cc1	ZINC000040292127	174221694	/nfs/dbraw/zinc/22/16/94/174221694.db2.gz	APPZLFCXHPQJIH-UHFFFAOYSA-N	0	0	250.298	0.897	10	10		CCCERN
CC(=O)OCCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1	ZINC000139012302	350444555	/nfs/dbraw/zinc/44/45/55/350444555.db2.gz	RMGVYWNPMDXWMD-AWEZNQCLSA-N	0	0	297.307	0.464	10	10		CCCERN
CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1O	ZINC000187084295	351529130	/nfs/dbraw/zinc/52/91/30/351529130.db2.gz	WAFJSWMSQJCJDX-SNVBAGLBSA-N	0	0	278.308	0.791	10	10		CCCERN
CCCn1nnnc1/N=N\c1nnnn1CCC	ZINC000005311313	170085295	/nfs/dbraw/zinc/08/52/95/170085295.db2.gz	HQILHUHVPXDQDZ-KTKRTIGZSA-N	0	0	250.270	0.895	10	10		CCCERN
CO[C@H]1C[C@@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2C1	ZINC000037515095	173246537	/nfs/dbraw/zinc/24/65/37/173246537.db2.gz	CUFOBNFVLNEEPQ-WDEREUQCSA-N	0	0	261.281	0.825	10	10		CCCERN
CC(C)[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000060863887	519792298	/nfs/dbraw/zinc/79/22/98/519792298.db2.gz	SCRCEDNSMMYRGB-MRVPVSSYSA-N	0	0	253.302	0.555	10	10		CCCERN
Nc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1	ZINC000036163186	172481387	/nfs/dbraw/zinc/48/13/87/172481387.db2.gz	BFADUCGJJISAGX-UHFFFAOYSA-N	0	0	269.326	0.531	10	10		CCCERN
NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(N)cc1	ZINC000037222754	173042826	/nfs/dbraw/zinc/04/28/26/173042826.db2.gz	BKYIDSKYTBUGMM-LBPRGKRZSA-N	0	0	261.325	0.678	10	10		CCCERN
Nc1ccc(NC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1	ZINC000040166781	174198400	/nfs/dbraw/zinc/19/84/00/174198400.db2.gz	XKYYOEHRIPMQAH-SNVBAGLBSA-N	0	0	267.310	0.701	10	10		CCCERN
COc1ccc(O)c([C@H]2NC(=O)[C@H]3COCCN32)c1	ZINC000093885539	295168971	/nfs/dbraw/zinc/16/89/71/295168971.db2.gz	ZIMYZSRLGHGYJX-PWSUYJOCSA-N	0	0	264.281	0.230	10	10		CCCERN
Nc1ccc(Cc2nc([C@@H]3CN4CCN3CC4)no2)cc1	ZINC000094506238	649743717	/nfs/dbraw/zinc/74/37/17/649743717.db2.gz	ZVPZVLQUDOGZRM-ZDUSSCGKSA-N	0	0	285.351	0.915	10	10		CCCERN
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1O	ZINC000282273568	353408898	/nfs/dbraw/zinc/40/88/98/353408898.db2.gz	UUPVBGSITHFGAN-CBAPKCEASA-N	0	0	264.281	0.495	10	10		CCCERN
N#[N+]C1=CC(S(=O)(=O)[O-])c2ccccc2[C@@H]1O	ZINC000059847153	388935499	/nfs/dbraw/zinc/93/54/99/388935499.db2.gz	HDADXVCIGLXBAI-JTQLQIEISA-N	0	0	252.251	0.633	10	10		CCCERN
[NH3+][C@@H](CCC(=O)Nc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000002383225	169789288	/nfs/dbraw/zinc/78/92/88/169789288.db2.gz	HJLNKWYSKFDHDG-ZETCQYMHSA-N	0	0	254.242	0.228	10	10	endogenous,in-man	CCCERN
C[C@H]1SC(=S)N(CC(=O)N2CCOCC2)C1=O	ZINC000011635521	170429992	/nfs/dbraw/zinc/42/99/92/170429992.db2.gz	DKJYCSJRHUHVNQ-SSDOTTSWSA-N	0	0	274.367	0.094	10	10		CCCERN
Cn1c(COc2ccc(N)cc2)cc(=O)n(C)c1=O	ZINC000038055864	174067180	/nfs/dbraw/zinc/06/71/80/174067180.db2.gz	DWQNIBVXMVFXGU-UHFFFAOYSA-N	0	0	261.281	0.245	10	10		CCCERN
COC(=O)CS(=O)(=O)N(C)c1ccc(N)cc1	ZINC000042533704	174781878	/nfs/dbraw/zinc/78/18/78/174781878.db2.gz	DLZSIEXMXXRJNA-UHFFFAOYSA-N	0	0	258.299	0.208	10	10		CCCERN
[NH3+][C@@H](CO)c1cccc(I)c1[O-]	ZINC000072199583	176341211	/nfs/dbraw/zinc/34/12/11/176341211.db2.gz	VEJFSYBTERXJPC-ZETCQYMHSA-N	0	0	279.077	0.989	10	10		CCCERN
Cn1ccc2c1nccc2-c1cnn(CC(N)=O)c1	ZINC000077385592	177261379	/nfs/dbraw/zinc/26/13/79/177261379.db2.gz	LXWDQZDYNXQADC-UHFFFAOYSA-N	0	0	255.281	0.922	10	10		CCCERN
CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000725272007	545887515	/nfs/dbraw/zinc/88/75/15/545887515.db2.gz	YDTZTUVBLQRVKT-NSHDSACASA-N	0	0	267.285	0.900	10	10		CCCERN
CN1CCN(C)[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1	ZINC000226345762	333257674	/nfs/dbraw/zinc/25/76/74/333257674.db2.gz	AYEJRFBACFXWEB-LBPRGKRZSA-N	0	0	267.348	0.867	10	10		CCCERN
CN(C)c1ccc(CN(C)C(=O)[C@@H]2CNC(=O)C2)cc1	ZINC000110358507	616167046	/nfs/dbraw/zinc/16/70/46/616167046.db2.gz	DCXJQBCHQHZEGG-LBPRGKRZSA-N	0	0	275.352	0.847	10	10		CCCERN
Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1	ZINC000160375158	350700063	/nfs/dbraw/zinc/70/00/63/350700063.db2.gz	HHDGOQINNZBJHG-SECBINFHSA-N	0	0	285.307	0.984	10	10		CCCERN
Nc1ccc(NC(=O)CN2C(=O)CCCC2=O)cc1	ZINC000035327194	172127893	/nfs/dbraw/zinc/12/78/93/172127893.db2.gz	NGXMKYUGLIUVLP-UHFFFAOYSA-N	0	0	261.281	0.746	10	10		CCCERN
Cc1cc(O)c([C@H]2NC(=O)[C@@H]3COCCN32)cc1C	ZINC000093885081	301369950	/nfs/dbraw/zinc/36/99/50/301369950.db2.gz	ISUNGJLJFUOHNL-AAEUAGOBSA-N	0	0	262.309	0.838	10	10		CCCERN
COC(=O)[C@@H](C)NC(=O)CCc1ccc(N)cc1	ZINC000049351488	523534649	/nfs/dbraw/zinc/53/46/49/523534649.db2.gz	WFRXIDKFYCWGLC-SECBINFHSA-N	0	0	250.298	0.879	10	10		CCCERN
O=C1N[C@H](c2cc(Cl)ccc2O)N2CCOC[C@@H]12	ZINC000093883701	389037704	/nfs/dbraw/zinc/03/77/04/389037704.db2.gz	MEKGFBAAIKMFAY-ONGXEEELSA-N	0	0	268.700	0.875	10	10		CCCERN
Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c(O)c1O	ZINC000182433790	389708424	/nfs/dbraw/zinc/70/84/24/389708424.db2.gz	KNEMYWQVDLSMHP-VIFPVBQESA-N	0	0	288.307	0.743	10	10		CCCERN
C[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)N(C)C	ZINC000038051726	174063430	/nfs/dbraw/zinc/06/34/30/174063430.db2.gz	NVELUNCVFPLZIA-SNVBAGLBSA-N	0	0	263.341	0.794	10	10		CCCERN
Cn1ccnc1CNS(=O)(=O)Cc1ccc(N)cc1	ZINC000071275316	176106370	/nfs/dbraw/zinc/10/63/70/176106370.db2.gz	WAOJKEWVIKKXIY-UHFFFAOYSA-N	0	0	280.353	0.622	10	10		CCCERN
O=C(N[C@H]1CCc2ncnn2C1)c1cccc(O)c1O	ZINC000193066655	351809789	/nfs/dbraw/zinc/80/97/89/351809789.db2.gz	IKLWKWOVIIMQSV-QMMMGPOBSA-N	0	0	274.280	0.434	10	10		CCCERN
Nc1ccc(NC(=O)NC[C@H]2COCCO2)cc1	ZINC000038063170	174074703	/nfs/dbraw/zinc/07/47/03/174074703.db2.gz	MQVXUCZJXGLIJT-NSHDSACASA-N	0	0	251.286	0.806	10	10		CCCERN
Nc1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000058082941	295353528	/nfs/dbraw/zinc/35/35/28/295353528.db2.gz	AWGRXYPBZHBOAY-CQSZACIVSA-N	0	0	295.408	0.578	10	10		CCCERN
C[C@H]1C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000076000463	524851141	/nfs/dbraw/zinc/85/11/41/524851141.db2.gz	YPJTVSZJIMKWAT-XVKPBYJWSA-N	0	0	284.337	0.902	10	10		CCCERN
CN(C[C@@H](O)CN1CCCC1=O)c1ccc2c(c1)OCO2	ZINC000121403107	642658488	/nfs/dbraw/zinc/65/84/88/642658488.db2.gz	PADSLEJDMJQFEE-GFCCVEGCSA-N	0	0	292.335	0.835	10	10		CCCERN
O=C1N[C@H](c2cc(Cl)ccc2O)N2CCOC[C@H]12	ZINC000093883699	389037978	/nfs/dbraw/zinc/03/79/78/389037978.db2.gz	MEKGFBAAIKMFAY-KOLCDFICSA-N	0	0	268.700	0.875	10	10		CCCERN
CC[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1	ZINC000035599323	172287906	/nfs/dbraw/zinc/28/79/06/172287906.db2.gz	AEFQNETUNRJAMQ-LLVKDONJSA-N	0	0	258.343	0.459	10	10		CCCERN
CCCNC(=O)CNC(=O)Nc1ccc(N)cc1	ZINC000036781313	172698692	/nfs/dbraw/zinc/69/86/92/172698692.db2.gz	UNQKTRGWXHNFCD-UHFFFAOYSA-N	0	0	250.302	0.917	10	10		CCCERN
CCN(CC)S(=O)(=O)NCCOc1ccc(N)cc1	ZINC000038079613	174089529	/nfs/dbraw/zinc/08/95/29/174089529.db2.gz	MUPDPZTXDANDOS-UHFFFAOYSA-N	0	0	287.385	0.824	10	10		CCCERN
Nc1ccc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)cc1	ZINC000040166783	174198090	/nfs/dbraw/zinc/19/80/90/174198090.db2.gz	NVCRJELJLMLRHP-SNVBAGLBSA-N	0	0	283.378	0.866	10	10		CCCERN
COC(=O)CCN(C)S(=O)(=O)Cc1ccc(N)cc1	ZINC000042550789	174789788	/nfs/dbraw/zinc/78/97/88/174789788.db2.gz	UDPKMZGWTRIUFP-UHFFFAOYSA-N	0	0	286.353	0.594	10	10		CCCERN
Nc1ccc(CC(=O)N2CCO[C@@H](CO)C2)cc1	ZINC000167702457	227282524	/nfs/dbraw/zinc/28/25/24/227282524.db2.gz	PISJUVGWGNGELK-GFCCVEGCSA-N	0	0	250.298	0.031	10	10		CCCERN
Nc1ccc(CC(=O)N2CCO[C@H](CO)C2)cc1	ZINC000167702359	227283016	/nfs/dbraw/zinc/28/30/16/227283016.db2.gz	PISJUVGWGNGELK-LBPRGKRZSA-N	0	0	250.298	0.031	10	10		CCCERN
CN(C)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1	ZINC000110347040	616015479	/nfs/dbraw/zinc/01/54/79/616015479.db2.gz	AKRUTLRAIWIYGU-LLVKDONJSA-N	0	0	261.325	0.505	10	10		CCCERN
Cc1ncc(CN(C=O)[C@H](C)C(=S)CCO)c(N)n1	ZINC000039205378	348229242	/nfs/dbraw/zinc/22/92/42/348229242.db2.gz	PVUIIPUMHCZLKJ-MRVPVSSYSA-N	0	0	282.369	0.466	10	10		CCCERN
CC[C@H](O)CN1CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000188432170	351595411	/nfs/dbraw/zinc/59/54/11/351595411.db2.gz	IKGWKKLFMJLUMH-NSHDSACASA-N	0	0	294.351	0.627	10	10		CCCERN
Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(O)c1O	ZINC000179463471	389657292	/nfs/dbraw/zinc/65/72/92/389657292.db2.gz	GSDREEOJKBUREC-JTQLQIEISA-N	0	0	280.324	0.467	10	10		CCCERN
COCCNC(=O)[C@@H](C)N(C)c1ccc(N)cc1	ZINC000020422597	171189493	/nfs/dbraw/zinc/18/94/93/171189493.db2.gz	PAVNXWMFYKFVKN-SNVBAGLBSA-N	0	0	251.330	0.856	10	10		CCCERN
NC(=O)CN[C@@H](c1ccccc1)c1ccc(O)c(O)c1O	ZINC000022144736	171356231	/nfs/dbraw/zinc/35/62/31/171356231.db2.gz	MAYFDRRIBPXHED-ZDUSSCGKSA-N	0	0	288.303	0.968	10	10		CCCERN
Nc1ccc(NC(=O)CCCN2CCNC(=O)C2)cc1	ZINC000022152051	171359149	/nfs/dbraw/zinc/35/91/49/171359149.db2.gz	MOUWHQDFVCCFGC-UHFFFAOYSA-N	0	0	276.340	0.419	10	10		CCCERN
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCNC(=O)C1	ZINC000022153064	171359974	/nfs/dbraw/zinc/35/99/74/171359974.db2.gz	CHFFWZOQSDDRKZ-VIFPVBQESA-N	0	0	262.313	0.028	10	10		CCCERN
CCNC(=O)[C@H](C)NC(=O)CCc1ccc(N)cc1	ZINC000038051717	174063531	/nfs/dbraw/zinc/06/35/31/174063531.db2.gz	PIXRZCNKSDLSTK-JTQLQIEISA-N	0	0	263.341	0.842	10	10		CCCERN
COC(=O)CN(C)C(=O)CCc1ccc(N)cc1	ZINC000038051656	174063624	/nfs/dbraw/zinc/06/36/24/174063624.db2.gz	MBKZPZIGFFYNDF-UHFFFAOYSA-N	0	0	250.298	0.833	10	10		CCCERN
CN(C)c1ccc(CN2CCOC[C@@H]2C(N)=O)cc1	ZINC000193465010	522179641	/nfs/dbraw/zinc/17/96/41/522179641.db2.gz	YZEHROUFZPNEGZ-CYBMUJFWSA-N	0	0	263.341	0.439	10	10		CCCERN
O=C1N=C(N(CCO)CCO)S/C1=C/c1ccccc1	ZINC000035575535	348158896	/nfs/dbraw/zinc/15/88/96/348158896.db2.gz	GLAVYPXJZFFNSP-ZRDIBKRKSA-N	0	0	292.360	0.944	10	10		CCCERN
COc1cc(O)ccc1C=C1C(=O)NC(=S)NC1=O	ZINC000584637177	397583298	/nfs/dbraw/zinc/58/32/98/397583298.db2.gz	JEUKSYMGVMYXQN-UHFFFAOYSA-N	0	0	278.289	0.315	10	10		CCCERN
COCCNC(=O)NC(=O)COc1ccc(N)cc1	ZINC000038055416	174067192	/nfs/dbraw/zinc/06/71/92/174067192.db2.gz	UINRVLJGLCLHGM-UHFFFAOYSA-N	0	0	267.285	0.120	10	10		CCCERN
COC[C@@H](NC(C)=O)C(=O)NCc1ccc(N)cc1	ZINC000045291769	175354725	/nfs/dbraw/zinc/35/47/25/175354725.db2.gz	CJIFELHQEZJEKT-GFCCVEGCSA-N	0	0	265.313	0.036	10	10		CCCERN
CCC[C@@H](NC(N)=O)C(=O)NCCc1ccc(N)cc1	ZINC000262586894	520764528	/nfs/dbraw/zinc/76/45/28/520764528.db2.gz	WFIVMAARKPSTRK-GFCCVEGCSA-N	0	0	278.356	0.765	10	10		CCCERN
COc1cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(O)cc1C	ZINC000160407235	624770795	/nfs/dbraw/zinc/77/07/95/624770795.db2.gz	BWIGXWHXFHZNKW-YGRLFVJLSA-N	0	0	294.351	0.784	10	10		CCCERN
C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000895327525	632059368	/nfs/dbraw/zinc/05/93/68/632059368.db2.gz	DLLNEHBORQKQJO-GWCFXTLKSA-N	0	0	255.289	0.849	10	10		CCCERN
COc1cccc(CNC(=O)N2CCOCC2)c1O	ZINC000170791899	638109585	/nfs/dbraw/zinc/10/95/85/638109585.db2.gz	ABIHCZMYRMENNJ-UHFFFAOYSA-N	0	0	266.297	0.943	10	10		CCCERN
COCCN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C	ZINC000193075510	351809951	/nfs/dbraw/zinc/80/99/51/351809951.db2.gz	PQEPVGDJZZBKNT-LLVKDONJSA-N	0	0	294.351	0.891	10	10		CCCERN
O=C(N[C@H]1CCCn2ncnc21)c1cccc(O)c1O	ZINC000193130201	351812896	/nfs/dbraw/zinc/81/28/96/351812896.db2.gz	KERHEFZYGKOSAO-VIFPVBQESA-N	0	0	274.280	0.954	10	10		CCCERN
Nc1ccc(N2CCC3(CC2)NC(=O)NC3=O)cc1	ZINC000584615130	359181351	/nfs/dbraw/zinc/18/13/51/359181351.db2.gz	KXQBZODEZCZXEC-UHFFFAOYSA-N	0	0	260.297	0.447	10	10		CCCERN
CN1CCCc2cc([C@@H]3NC(=O)[C@H]4COCCN43)ccc21	ZINC000180262801	389667981	/nfs/dbraw/zinc/66/79/81/389667981.db2.gz	IKLHSTXDYLGJAK-HUUCEWRRSA-N	0	0	287.363	0.898	10	10		CCCERN
CC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1	ZINC000022213700	171374701	/nfs/dbraw/zinc/37/47/01/171374701.db2.gz	CIPOKHNWSXVCGT-UHFFFAOYSA-N	0	0	276.340	0.371	10	10		CCCERN
CCOCC(=O)N(CC(N)=O)Cc1ccc(N)cc1	ZINC000035366542	172158120	/nfs/dbraw/zinc/15/81/20/172158120.db2.gz	VPYQNMJXXPMNNK-UHFFFAOYSA-N	0	0	265.313	0.119	10	10		CCCERN
CN(C(=O)CN1C(=O)CCC1=O)c1ccc(N)cc1	ZINC000037273771	173085105	/nfs/dbraw/zinc/08/51/05/173085105.db2.gz	HUPFRZKPRKPLJS-UHFFFAOYSA-N	0	0	261.281	0.381	10	10		CCCERN
Nc1ccc(OCCNS(=O)(=O)C(F)F)cc1	ZINC000038079612	174089345	/nfs/dbraw/zinc/08/93/45/174089345.db2.gz	QBRVBTPYZYHCSA-UHFFFAOYSA-N	0	0	266.269	0.790	10	10		CCCERN
Cc1ncc(CN(C=O)[C@@H](C)C(=S)CCO)c(N)n1	ZINC000035328254	348159030	/nfs/dbraw/zinc/15/90/30/348159030.db2.gz	PVUIIPUMHCZLKJ-QMMMGPOBSA-N	0	0	282.369	0.466	10	10		CCCERN
O=S1(=O)C[C@@H](O)[C@H](Sc2nccs2)C1	ZINC000040677098	348241088	/nfs/dbraw/zinc/24/10/88/348241088.db2.gz	PBMLWCFATKKFNO-PHDIDXHHSA-N	0	0	251.354	0.393	10	10		CCCERN
CCN(Cc1ccc(N)cc1)S(=O)(=O)N(C)C	ZINC000035361240	172152697	/nfs/dbraw/zinc/15/26/97/172152697.db2.gz	DDNAQMJLXBHVBE-UHFFFAOYSA-N	0	0	257.359	0.897	10	10		CCCERN
COC(=O)CN(C)C(=O)COc1ccc(N)cc1	ZINC000040301817	174225308	/nfs/dbraw/zinc/22/53/08/174225308.db2.gz	RXZZXWAZQODXAN-UHFFFAOYSA-N	0	0	252.270	0.279	10	10		CCCERN
CCOC(=O)CCS(=O)(=O)Nc1ccc(N)cc1	ZINC000042537999	174784262	/nfs/dbraw/zinc/78/42/62/174784262.db2.gz	DWCYYNQAJOBJER-UHFFFAOYSA-N	0	0	272.326	0.964	10	10		CCCERN
Cc1cc(O)c([C@@H]2NC(=O)[C@H]3COCCN32)cc1C	ZINC000093885078	301369829	/nfs/dbraw/zinc/36/98/29/301369829.db2.gz	ISUNGJLJFUOHNL-DGCLKSJQSA-N	0	0	262.309	0.838	10	10		CCCERN
C[C@@H]1C(=O)NCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000188087782	329364271	/nfs/dbraw/zinc/36/42/71/329364271.db2.gz	NPIRMSYIXIIJOW-DFVUYQKZSA-N	0	0	290.319	0.848	10	10		CCCERN
CS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1	ZINC000061628847	525229331	/nfs/dbraw/zinc/22/93/31/525229331.db2.gz	KLHQMSBPEOVKTF-UHFFFAOYSA-N	0	0	252.299	0.826	10	10		CCCERN
CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1	ZINC000110347045	616015248	/nfs/dbraw/zinc/01/52/48/616015248.db2.gz	AKRUTLRAIWIYGU-NSHDSACASA-N	0	0	261.325	0.505	10	10		CCCERN
COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C	ZINC000126488166	616382486	/nfs/dbraw/zinc/38/24/86/616382486.db2.gz	FNFBDNOFRUTUPC-WCBMZHEXSA-N	0	0	279.292	0.979	10	10		CCCERN
CC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	ZINC000186965466	639872397	/nfs/dbraw/zinc/87/23/97/639872397.db2.gz	NNUDBJPRSOWJKX-JTQLQIEISA-N	0	0	278.308	0.839	10	10		CCCERN
COc1ccc2c(c1)[C@]1(C)CN(C)C(=O)[C@]1(O)N2C	ZINC000032106199	348130209	/nfs/dbraw/zinc/13/02/09/348130209.db2.gz	MLYAWYWMHFLNLT-UONOGXRCSA-N	0	0	262.309	0.563	10	10		CCCERN
Nc1ccc(CS(=O)(=O)Nc2ncc[nH]2)cc1	ZINC000104117614	185898270	/nfs/dbraw/zinc/89/82/70/185898270.db2.gz	PCDXGCBDSFCMSZ-UHFFFAOYSA-N	0	0	252.299	0.934	10	10		CCCERN
CN(C)CCN(c1ccc(N)cc1)S(C)(=O)=O	ZINC000142651445	350456886	/nfs/dbraw/zinc/45/68/86/350456886.db2.gz	TXCOFUNEYLUKHR-UHFFFAOYSA-N	0	0	257.359	0.596	10	10		CCCERN
CNC(=O)NC(=O)[C@H](C)OCc1ccc(N)cc1	ZINC000020391054	171179459	/nfs/dbraw/zinc/17/94/59/171179459.db2.gz	QZVYEKLFGGVMPG-QMMMGPOBSA-N	0	0	251.286	0.630	10	10		CCCERN
Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000021807147	171328043	/nfs/dbraw/zinc/32/80/43/171328043.db2.gz	JTDHMJSDMOEVGB-LBPRGKRZSA-N	0	0	270.354	0.867	10	10		CCCERN
COC(=O)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	ZINC000035423348	172191976	/nfs/dbraw/zinc/19/19/76/172191976.db2.gz	XYSQCVHVBAECLI-GFCCVEGCSA-N	0	0	262.309	0.975	10	10		CCCERN
CO[C@H]1C[C@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2C1	ZINC000037515099	173246825	/nfs/dbraw/zinc/24/68/25/173246825.db2.gz	CUFOBNFVLNEEPQ-QWRGUYRKSA-N	0	0	261.281	0.825	10	10		CCCERN
CC(C)NC(=O)NC(=O)COc1ccc(N)cc1	ZINC000038055397	174066772	/nfs/dbraw/zinc/06/67/72/174066772.db2.gz	ZWJAEUBQSGJPAZ-UHFFFAOYSA-N	0	0	251.286	0.882	10	10		CCCERN
COC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1	ZINC000049351787	523884196	/nfs/dbraw/zinc/88/41/96/523884196.db2.gz	CCZMSOCPSQKDGW-QMMMGPOBSA-N	0	0	272.326	0.250	10	10		CCCERN
CS(=O)(=O)N1CC[C@H](Oc2ccc(N)cc2)C1	ZINC000215500273	351935667	/nfs/dbraw/zinc/93/56/67/351935667.db2.gz	RCAHOIBFHBJABJ-NSHDSACASA-N	0	0	256.327	0.682	10	10		CCCERN
COc1cc(Cl)cc([C@@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000183632829	329251613	/nfs/dbraw/zinc/25/16/13/329251613.db2.gz	IESZESQTIVXJMW-BXKDBHETSA-N	0	0	298.726	0.883	10	10		CCCERN
CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(N)cc1	ZINC000049226491	521743379	/nfs/dbraw/zinc/74/33/79/521743379.db2.gz	JZNRXRQSWQTYPZ-MRVPVSSYSA-N	0	0	250.302	0.915	10	10		CCCERN
CCNC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1	ZINC000049226495	521745192	/nfs/dbraw/zinc/74/51/92/521745192.db2.gz	JZNRXRQSWQTYPZ-QMMMGPOBSA-N	0	0	250.302	0.915	10	10		CCCERN
CNC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	ZINC000588407343	791154916	/nfs/dbraw/zinc/15/49/16/791154916.db2.gz	OHJOZYWPVTZTPS-VSKVDJIOSA-N	0	0	292.335	0.998	10	10		CCCERN
C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(O)c1O	ZINC000282273572	353408889	/nfs/dbraw/zinc/40/88/89/353408889.db2.gz	UUPVBGSITHFGAN-IONNQARKSA-N	0	0	264.281	0.495	10	10		CCCERN
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)ccc1O	ZINC000093441517	389036761	/nfs/dbraw/zinc/03/67/61/389036761.db2.gz	QGBLUSNOQFVIBC-RYUDHWBXSA-N	0	0	265.309	0.809	10	10		CCCERN
C[C@@H](NC(N)=O)C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000174510597	389523315	/nfs/dbraw/zinc/52/33/15/389523315.db2.gz	HQVSIEXZGWKMGX-SECBINFHSA-N	0	0	291.351	0.944	10	10		CCCERN
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CNC(=O)C1	ZINC000173196639	389499347	/nfs/dbraw/zinc/49/93/47/389499347.db2.gz	BFQNIJIXDSOFIY-SNVBAGLBSA-N	0	0	289.335	0.614	10	10		CCCERN
CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(N)cc2)CC1	ZINC000019260004	170761103	/nfs/dbraw/zinc/76/11/03/170761103.db2.gz	AVBQPDLBDHEYPA-NSHDSACASA-N	0	0	290.367	0.760	10	10		CCCERN
CN(CC(=O)NC1CC1)C(=O)CCc1ccc(N)cc1	ZINC000038051706	174063351	/nfs/dbraw/zinc/06/33/51/174063351.db2.gz	APNLLONDNSQCMJ-UHFFFAOYSA-N	0	0	275.352	0.938	10	10		CCCERN
Nc1ccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000040166787	174198189	/nfs/dbraw/zinc/19/81/89/174198189.db2.gz	VFBFNGJGDDCTRY-JTQLQIEISA-N	0	0	285.394	0.742	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(N)=O)c1O	ZINC000092228566	260268718	/nfs/dbraw/zinc/26/87/18/260268718.db2.gz	AHMDTYNNWACASF-GFCCVEGCSA-N	0	0	296.298	0.420	10	10		CCCERN
CNC(=O)CN1CCC([NH2+]Cc2cccc(F)c2[O-])CC1	ZINC000164967145	331305416	/nfs/dbraw/zinc/30/54/16/331305416.db2.gz	AQMKXZLFRPYYKP-UHFFFAOYSA-N	0	0	295.358	0.831	10	10		CCCERN
COC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1	ZINC000049351791	523550859	/nfs/dbraw/zinc/55/08/59/523550859.db2.gz	CCZMSOCPSQKDGW-MRVPVSSYSA-N	0	0	272.326	0.250	10	10		CCCERN
CN(C)c1ccc(CN(C)C(=O)[C@H]2COCCN2)cc1	ZINC000088370437	649638642	/nfs/dbraw/zinc/63/86/42/649638642.db2.gz	ZRHYTDFBRZFJHW-CQSZACIVSA-N	0	0	277.368	0.699	10	10		CCCERN
COC(=O)CC[C@@H](C(N)=O)N1Cc2c(cccc2O)C1=O	ZINC000118427772	349902347	/nfs/dbraw/zinc/90/23/47/349902347.db2.gz	STDQXJRROFVUBT-JTQLQIEISA-N	0	0	292.291	0.155	10	10		CCCERN
COCCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C	ZINC000193075525	351809764	/nfs/dbraw/zinc/80/97/64/351809764.db2.gz	PQEPVGDJZZBKNT-NSHDSACASA-N	0	0	294.351	0.891	10	10		CCCERN
COC[C@H](C)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1	ZINC000070205136	388954715	/nfs/dbraw/zinc/95/47/15/388954715.db2.gz	FNLUOMVNHRFYEF-WCBMZHEXSA-N	0	0	269.297	0.546	10	10		CCCERN
CCN(CC(=O)NC)C(=O)CCc1ccc(N)cc1	ZINC000038051707	174063376	/nfs/dbraw/zinc/06/33/76/174063376.db2.gz	DEPMJQZXYGNBLR-UHFFFAOYSA-N	0	0	263.341	0.796	10	10		CCCERN
C[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1	ZINC000038055593	174067165	/nfs/dbraw/zinc/06/71/65/174067165.db2.gz	SUHWDTLQEURZKG-JTQLQIEISA-N	0	0	250.298	0.895	10	10		CCCERN
C[C@H](c1ccccc1O)N(C)C(=O)Cn1cnnn1	ZINC000038089603	174103352	/nfs/dbraw/zinc/10/33/52/174103352.db2.gz	CBDUBCDGWLXOFY-SECBINFHSA-N	0	0	261.285	0.598	10	10		CCCERN
COC[C@@H](O)CN(C)C(=O)Cc1ccc(N)cc1	ZINC000042482398	174759144	/nfs/dbraw/zinc/75/91/44/174759144.db2.gz	VXQGGOWJOPKINK-LBPRGKRZSA-N	0	0	252.314	0.277	10	10		CCCERN
COc1cc(Cl)cc([C@H]2NC(=O)[C@@H]3COCCN32)c1O	ZINC000183632876	329251571	/nfs/dbraw/zinc/25/15/71/329251571.db2.gz	IESZESQTIVXJMW-CABZTGNLSA-N	0	0	298.726	0.883	10	10		CCCERN
O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1O	ZINC000716210269	977817817	/nfs/dbraw/zinc/81/78/17/977817817.db2.gz	XXYJKUFGYJTQFN-ZYHUDNBSSA-N	0	0	251.282	0.972	10	10		CCCERN
Nc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000035407774	348159314	/nfs/dbraw/zinc/15/93/14/348159314.db2.gz	SNLHXMDPSIUPOX-SNVBAGLBSA-N	0	0	269.326	0.577	10	10		CCCERN
CN(C)c1ccc(Cn2nnc3c[nH]nc3c2=O)cc1	ZINC000584660410	359187307	/nfs/dbraw/zinc/18/73/07/359187307.db2.gz	BWRUNPRWFFESRG-UHFFFAOYSA-N	0	0	270.296	0.629	10	10		CCCERN
COC(=O)CCCOc1ccc(N(CCO)CCO)cc1	ZINC000584600509	359177649	/nfs/dbraw/zinc/17/76/49/359177649.db2.gz	JHKUXXBTVKTWNM-UHFFFAOYSA-N	0	0	297.351	0.810	10	10		CCCERN
O=C1N[C@H](c2cc(F)ccc2O)N2CCOC[C@@H]12	ZINC000180269596	261850835	/nfs/dbraw/zinc/85/08/35/261850835.db2.gz	QLZJFNYKTOZGEX-ONGXEEELSA-N	0	0	252.245	0.361	10	10		CCCERN
CCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN23)c1O	ZINC000093884992	389038335	/nfs/dbraw/zinc/03/83/35/389038335.db2.gz	UHMFZSNBFUMQDN-GXFFZTMASA-N	0	0	278.308	0.620	10	10		CCCERN
C[C@@H]1SC(=S)N(CC(=O)N2CCOCC2)C1=O	ZINC000011635520	170430013	/nfs/dbraw/zinc/43/00/13/170430013.db2.gz	DKJYCSJRHUHVNQ-ZETCQYMHSA-N	0	0	274.367	0.094	10	10		CCCERN
Nc1ccc(CS(=O)(=O)N2CCC[C@@H](O)C2)cc1	ZINC000035612028	172298645	/nfs/dbraw/zinc/29/86/45/172298645.db2.gz	FSARRJYTEQEITD-GFCCVEGCSA-N	0	0	270.354	0.555	10	10		CCCERN
CCOC(=O)CN(C)C(=O)Cc1ccc(N)cc1	ZINC000049608013	520739742	/nfs/dbraw/zinc/73/97/42/520739742.db2.gz	BXQGCKZCEPSZLH-UHFFFAOYSA-N	0	0	250.298	0.833	10	10		CCCERN
CN(C)S(=O)(=O)Nc1ccnn1-c1ccc(N)cc1	ZINC000061628855	521969651	/nfs/dbraw/zinc/96/96/51/521969651.db2.gz	SIEUWBXKCVYWDO-UHFFFAOYSA-N	0	0	281.341	0.673	10	10		CCCERN
COC[C@@H](C)NC(=O)CN(C)c1ccc(N)cc1	ZINC000049291253	522227937	/nfs/dbraw/zinc/22/79/37/522227937.db2.gz	GAFNKZZFGIURDJ-SNVBAGLBSA-N	0	0	251.330	0.856	10	10		CCCERN
CN1CCN(CCC(=O)Nc2ccc(N)cc2)C1=O	ZINC000052885452	523895515	/nfs/dbraw/zinc/89/55/15/523895515.db2.gz	QSOWVZODDYUGRB-UHFFFAOYSA-N	0	0	262.313	0.965	10	10		CCCERN
CCN1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O	ZINC000588586850	811135824	/nfs/dbraw/zinc/13/58/24/811135824.db2.gz	HXSVRPQHHACHLL-XQRVVYSFSA-N	0	0	276.292	0.759	10	10		CCCERN
COC(=O)[C@@](C)(Cc1ccc(N)cc1)NC(C)=O	ZINC000039374008	348230187	/nfs/dbraw/zinc/23/01/87/348230187.db2.gz	XDRJMGBTRLSKNE-CYBMUJFWSA-N	0	0	250.298	0.879	10	10		CCCERN
COCCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1	ZINC000139012692	350444121	/nfs/dbraw/zinc/44/41/21/350444121.db2.gz	RJFJDMMGJNSBJQ-ZDUSSCGKSA-N	0	0	269.297	0.547	10	10		CCCERN
Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)c(O)c1O	ZINC000189439274	351680267	/nfs/dbraw/zinc/68/02/67/351680267.db2.gz	MYQRZWNJPDGTMV-UHFFFAOYSA-N	0	0	290.319	0.757	10	10		CCCERN
Nc1ccc(NC(=O)CCN2CCNC(=O)C2)cc1	ZINC000022152154	171359308	/nfs/dbraw/zinc/35/93/08/171359308.db2.gz	RZZFLHVJGWKIBN-UHFFFAOYSA-N	0	0	262.313	0.029	10	10		CCCERN
CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1F	ZINC000194893854	625602472	/nfs/dbraw/zinc/60/24/72/625602472.db2.gz	XWAYWBWQSVYNLJ-JTQLQIEISA-N	0	0	279.315	0.644	10	10		CCCERN
Nc1ccc(Cc2nc([C@H]3CN4CCN3CC4)no2)cc1	ZINC000094506239	649743863	/nfs/dbraw/zinc/74/38/63/649743863.db2.gz	ZVPZVLQUDOGZRM-CYBMUJFWSA-N	0	0	285.351	0.915	10	10		CCCERN
COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(N)cc1	ZINC000042536695	174783995	/nfs/dbraw/zinc/78/39/95/174783995.db2.gz	XOYTUOOJILEPHH-SSDOTTSWSA-N	0	0	258.299	0.572	10	10		CCCERN
C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCOCC1	ZINC000135267909	264566530	/nfs/dbraw/zinc/56/65/30/264566530.db2.gz	RQCKRZVYZFILQD-NSHDSACASA-N	0	0	291.351	0.175	10	10		CCCERN
CNC([O-])=N[N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000019321754	290332155	/nfs/dbraw/zinc/33/21/55/290332155.db2.gz	RVKMPCMVKHBKEU-KHPPLWFESA-N	0	0	262.222	0.044	10	10		CCCERN
CC[C@H](C(N)=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000061677767	523819715	/nfs/dbraw/zinc/81/97/15/523819715.db2.gz	HRRPASDDSISKTK-CYBMUJFWSA-N	0	0	262.357	0.655	10	10		CCCERN
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](Oc2ccc(N)cc2)[C@H]1O	ZINC000166313831	350797901	/nfs/dbraw/zinc/79/79/01/350797901.db2.gz	LDPYPPYGHWOOOX-RDVVHMHSSA-N	0	0	269.297	0.129	10	10		CCCERN
COCCS(=O)(=O)CCOc1ccc(N)cc1	ZINC000035322099	172125270	/nfs/dbraw/zinc/12/52/70/172125270.db2.gz	HYJYSZVEJLZLAQ-UHFFFAOYSA-N	0	0	259.327	0.709	10	10		CCCERN
Nc1ccc(NC(=S)N[C@H]2C=CS(=O)(=O)C2)cc1	ZINC000040166782	174198195	/nfs/dbraw/zinc/19/81/95/174198195.db2.gz	NVCRJELJLMLRHP-JTQLQIEISA-N	0	0	283.378	0.866	10	10		CCCERN
Nc1ccc(NC(=S)NC[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000040166776	174198272	/nfs/dbraw/zinc/19/82/72/174198272.db2.gz	CHEGKLFMDQGUEC-VIFPVBQESA-N	0	0	299.421	0.990	10	10		CCCERN
Nc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000040166774	174198301	/nfs/dbraw/zinc/19/83/01/174198301.db2.gz	COXWZUYRJLNSSN-VIFPVBQESA-N	0	0	283.353	0.825	10	10		CCCERN
COC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1	ZINC000049351514	523534764	/nfs/dbraw/zinc/53/47/64/523534764.db2.gz	RWYLEOOUDUHFOZ-MRVPVSSYSA-N	0	0	252.270	0.325	10	10		CCCERN
O=S1(=O)C[C@@H](O)[C@@H](Sc2nccs2)C1	ZINC000040677099	348241116	/nfs/dbraw/zinc/24/11/16/348241116.db2.gz	PBMLWCFATKKFNO-RITPCOANSA-N	0	0	251.354	0.393	10	10		CCCERN
Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1	ZINC000160375310	350699568	/nfs/dbraw/zinc/69/95/68/350699568.db2.gz	HHDGOQINNZBJHG-VIFPVBQESA-N	0	0	285.307	0.984	10	10		CCCERN
Cn1nnc(Br)c1S(=O)(=O)[N-][N+]#N	ZINC000236087086	352191287	/nfs/dbraw/zinc/19/12/87/352191287.db2.gz	DRTMGFACDLDHMX-UHFFFAOYSA-N	0	0	267.068	0.577	10	10		CCCERN
Nc1ccc(OS(=O)(=O)C2=CCS(=O)(=O)C2)cc1	ZINC000012139598	388778469	/nfs/dbraw/zinc/77/84/69/388778469.db2.gz	PDJVLHDJLUWDJT-UHFFFAOYSA-N	0	0	289.334	0.290	10	10		CCCERN
C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCO1	ZINC000035452647	134797873	/nfs/dbraw/zinc/79/78/73/134797873.db2.gz	DMJMLZVITDKCHX-MRVPVSSYSA-N	0	0	263.297	0.825	10	10		CCCERN
COCCNC(=O)[C@H](C)N(C)c1ccc(N)cc1	ZINC000020422598	171189375	/nfs/dbraw/zinc/18/93/75/171189375.db2.gz	PAVNXWMFYKFVKN-JTQLQIEISA-N	0	0	251.330	0.856	10	10		CCCERN
Nc1ccc(NC(=O)CCn2cccnc2=O)cc1	ZINC000022219879	171377487	/nfs/dbraw/zinc/37/74/87/171377487.db2.gz	XSNRXOZTQKKHGR-UHFFFAOYSA-N	0	0	258.281	0.854	10	10		CCCERN
CCOC(=O)CNC(=O)CCc1ccc(N)cc1	ZINC000038051744	174063394	/nfs/dbraw/zinc/06/33/94/174063394.db2.gz	DRSKQONUPZDSCP-UHFFFAOYSA-N	0	0	250.298	0.881	10	10		CCCERN
CN(C)c1ccc(CNC(=O)CSC[C@H](O)CO)cc1	ZINC000177415144	389582257	/nfs/dbraw/zinc/58/22/57/389582257.db2.gz	CAGKVEDFIMZVKD-CYBMUJFWSA-N	0	0	298.408	0.455	10	10		CCCERN
Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3COCCN23)cc1C	ZINC000093885080	291969803	/nfs/dbraw/zinc/96/98/03/291969803.db2.gz	ISUNGJLJFUOHNL-WCQYABFASA-N	0	0	262.309	0.838	10	10		CCCERN
CCCS(=O)(=O)NCCOc1ccc(N)cc1	ZINC000032110676	171702811	/nfs/dbraw/zinc/70/28/11/171702811.db2.gz	MHNSLQNDYDFWGB-UHFFFAOYSA-N	0	0	258.343	0.977	10	10		CCCERN
Nc1ccc(CS(=O)(=O)NC[C@@H]2COCCO2)cc1	ZINC000038062473	174073958	/nfs/dbraw/zinc/07/39/58/174073958.db2.gz	AKFIFVAJBNUMTR-GFCCVEGCSA-N	0	0	286.353	0.104	10	10		CCCERN
[NH3+][C@H](CO)c1cccc(I)c1[O-]	ZINC000072199582	176340794	/nfs/dbraw/zinc/34/07/94/176340794.db2.gz	VEJFSYBTERXJPC-SSDOTTSWSA-N	0	0	279.077	0.989	10	10		CCCERN
CS(=O)(=O)c1cnn(Cc2ccc(N)cc2)c1	ZINC000725251920	545877122	/nfs/dbraw/zinc/87/71/22/545877122.db2.gz	IAUQWSRZXDSYGB-UHFFFAOYSA-N	0	0	251.311	0.917	10	10		CCCERN
CN1CCc2cc([C@@H]3NC(=O)[C@@H]4COCCN34)ccc21	ZINC000245791434	329749249	/nfs/dbraw/zinc/74/92/49/329749249.db2.gz	WDPKEUPKJYYUME-UONOGXRCSA-N	0	0	273.336	0.508	10	10		CCCERN
O=C(NCCCSc1nccs1)[C@H]1CNC(=O)C1	ZINC000114375357	644425812	/nfs/dbraw/zinc/42/58/12/644425812.db2.gz	KVJKIYZQMFLQKK-MRVPVSSYSA-N	0	0	285.394	0.878	10	10		CCCERN
O=C(c1cccc(O)c1O)N1CCn2ccnc2C1	ZINC000126400549	646751379	/nfs/dbraw/zinc/75/13/79/646751379.db2.gz	JVIPWOVHIRSYQY-UHFFFAOYSA-N	0	0	259.265	0.950	10	10		CCCERN
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCc1ccccc1O	ZINC000083391527	178396908	/nfs/dbraw/zinc/39/69/08/178396908.db2.gz	RBPOKVBSYLUXEP-VIFPVBQESA-N	0	0	252.270	0.201	10	10		CCCERN
O=C1N[C@@H](c2cc(Cl)ccc2O)N2CCOC[C@H]12	ZINC000093883698	389038119	/nfs/dbraw/zinc/03/81/19/389038119.db2.gz	MEKGFBAAIKMFAY-MWLCHTKSSA-N	0	0	268.700	0.875	10	10		CCCERN
O=C1N[C@H](c2cc(F)ccc2O)N2CCOC[C@H]12	ZINC000180269557	389668341	/nfs/dbraw/zinc/66/83/41/389668341.db2.gz	QLZJFNYKTOZGEX-KOLCDFICSA-N	0	0	252.245	0.361	10	10		CCCERN
COC[C@H](O)CN(C)C(=O)Cc1ccc(N)cc1	ZINC000042482400	174759152	/nfs/dbraw/zinc/75/91/52/174759152.db2.gz	VXQGGOWJOPKINK-GFCCVEGCSA-N	0	0	252.314	0.277	10	10		CCCERN
CC(=O)NC1CN(C(=O)c2ccc(C)c(O)c2O)C1	ZINC000191500110	351761143	/nfs/dbraw/zinc/76/11/43/351761143.db2.gz	DYWFXZNUTBVHGS-UHFFFAOYSA-N	0	0	264.281	0.367	10	10		CCCERN
C[C@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000180795506	389674992	/nfs/dbraw/zinc/67/49/92/389674992.db2.gz	SHFYOTXTSQDKNS-SGRBOOSSSA-N	0	0	251.282	0.998	10	10		CCCERN
Nc1ccc(CS(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000021807149	171327773	/nfs/dbraw/zinc/32/77/73/171327773.db2.gz	JTDHMJSDMOEVGB-GFCCVEGCSA-N	0	0	270.354	0.867	10	10		CCCERN
COC[C@@H](O)CN(C)C(=O)COc1ccc(N)cc1	ZINC000042482494	174759168	/nfs/dbraw/zinc/75/91/68/174759168.db2.gz	FJVOBYMRASHBNV-NSHDSACASA-N	0	0	268.313	0.113	10	10		CCCERN
CCN(CC(=O)OC)C(=O)COc1ccc(N)cc1	ZINC000042527858	174778230	/nfs/dbraw/zinc/77/82/30/174778230.db2.gz	FMPYKWHWAYXJPM-UHFFFAOYSA-N	0	0	266.297	0.669	10	10		CCCERN
Nc1ccc(CS(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1	ZINC000051993389	527483242	/nfs/dbraw/zinc/48/32/42/527483242.db2.gz	WJRXYWGKUSNNKQ-QWHCGFSZSA-N	0	0	284.381	0.992	10	10		CCCERN
COc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(O)cc1C	ZINC000160407371	624770107	/nfs/dbraw/zinc/77/01/07/624770107.db2.gz	BWIGXWHXFHZNKW-QMTHXVAHSA-N	0	0	294.351	0.784	10	10		CCCERN
CCn1ccc(=O)n(CCc2ccc(N)cc2)c1=O	ZINC000104298053	185958941	/nfs/dbraw/zinc/95/89/41/185958941.db2.gz	HGEDGPSBGWXJSQ-UHFFFAOYSA-N	0	0	259.309	0.855	10	10		CCCERN
C[C@H]1CN=C(C(=O)NCCc2ccc(O)c(O)c2)N1	ZINC000256031091	352546657	/nfs/dbraw/zinc/54/66/57/352546657.db2.gz	ZEDPLFSVXLHAJQ-QMMMGPOBSA-N	0	0	263.297	0.147	10	10		CCCERN
COc1ccc(N(CCO)CCO)c(OC)c1OC	ZINC000584603195	359179016	/nfs/dbraw/zinc/17/90/16/359179016.db2.gz	QTYAGJSOAWIFAX-UHFFFAOYSA-N	0	0	271.313	0.503	10	10		CCCERN
COC[C@@H](C)OC(=O)[C@H](N)Cc1ccc(O)c(O)c1	ZINC000070205137	256862507	/nfs/dbraw/zinc/86/25/07/256862507.db2.gz	FNLUOMVNHRFYEF-PSASIEDQSA-N	0	0	269.297	0.546	10	10		CCCERN
COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1	ZINC000035423346	172192125	/nfs/dbraw/zinc/19/21/25/172192125.db2.gz	XYSQCVHVBAECLI-LBPRGKRZSA-N	0	0	262.309	0.975	10	10		CCCERN
Nc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1	ZINC000038063169	174074478	/nfs/dbraw/zinc/07/44/78/174074478.db2.gz	MQVXUCZJXGLIJT-LLVKDONJSA-N	0	0	251.286	0.806	10	10		CCCERN
C[C@]1(NC(=O)Nc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000040166778	174198150	/nfs/dbraw/zinc/19/81/50/174198150.db2.gz	DHJOQYJFUSHOJX-LBPRGKRZSA-N	0	0	283.353	0.968	10	10		CCCERN
C[C@@H]1CN(C)C[C@H](C(=O)NCc2ccc(O)cc2O)O1	ZINC000910944601	635863146	/nfs/dbraw/zinc/86/31/46/635863146.db2.gz	UVHZPVTZDSAQDQ-NOZJJQNGSA-N	0	0	280.324	0.433	10	10		CCCERN
CN(C)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1F	ZINC000194893840	649586657	/nfs/dbraw/zinc/58/66/57/649586657.db2.gz	XWAYWBWQSVYNLJ-SNVBAGLBSA-N	0	0	279.315	0.644	10	10		CCCERN
CN1CCS/C1=C/C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000095930879	185033008	/nfs/dbraw/zinc/03/30/08/185033008.db2.gz	RMRBWMGKRIPABI-WEVVVXLNSA-N	0	0	281.337	0.483	10	10		CCCERN
COc1ccc(O)c([C@@H]2NC(=O)[C@@H]3COCCN23)c1	ZINC000093885540	295167427	/nfs/dbraw/zinc/16/74/27/295167427.db2.gz	ZIMYZSRLGHGYJX-CMPLNLGQSA-N	0	0	264.281	0.230	10	10		CCCERN
CC(=O)c1cc(F)cc(CN2CCO[C@@H](CO)C2)c1O	ZINC000094351245	518288053	/nfs/dbraw/zinc/28/80/53/518288053.db2.gz	WPVIJGLFYJFNGJ-GFCCVEGCSA-N	0	0	283.299	0.927	10	10		CCCERN
CCOc1ccc(O)c([C@@H]2NC(=O)[C@@H]3COCCN23)c1	ZINC000093884804	521155452	/nfs/dbraw/zinc/15/54/52/521155452.db2.gz	AQNVNULSBFPBEY-WCQYABFASA-N	0	0	278.308	0.620	10	10		CCCERN
CN1CCc2cc(CNC(=O)[C@@H]3CCC(=O)N3)ccc21	ZINC000169815465	616461527	/nfs/dbraw/zinc/46/15/27/616461527.db2.gz	CGMXGIBYTLSWGE-LBPRGKRZSA-N	0	0	273.336	0.574	10	10		CCCERN
CN(C)N=Nc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1	ZINC000003033043	347976706	/nfs/dbraw/zinc/97/67/06/347976706.db2.gz	BYKFFFPTEDWUOD-FOCLMDBBSA-N	0	0	289.295	0.346	10	10		CCCERN
CN1CCCN(Cc2cc3c(cc2O)OCO3)CC1=O	ZINC000191911491	389019088	/nfs/dbraw/zinc/01/90/88/389019088.db2.gz	VKFVQILWVDJMIV-UHFFFAOYSA-N	0	0	278.308	0.785	10	10		CCCERN
CN1CCCc2cc([C@H]3NC(=O)[C@@H]4COCCN43)ccc21	ZINC000245723926	389216912	/nfs/dbraw/zinc/21/69/12/389216912.db2.gz	IKLHSTXDYLGJAK-GJZGRUSLSA-N	0	0	287.363	0.898	10	10		CCCERN
CN1CCN(C)[C@H](C[NH2+]Cc2cccc(F)c2[O-])C1	ZINC000158770834	389350201	/nfs/dbraw/zinc/35/02/01/389350201.db2.gz	AYEJRFBACFXWEB-GFCCVEGCSA-N	0	0	267.348	0.867	10	10		CCCERN
Nc1ccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000040166786	174198245	/nfs/dbraw/zinc/19/82/45/174198245.db2.gz	VFBFNGJGDDCTRY-SNVBAGLBSA-N	0	0	285.394	0.742	10	10		CCCERN
COc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1O	ZINC000093883301	260526502	/nfs/dbraw/zinc/52/65/02/260526502.db2.gz	DMUUGMZGVKMIJI-CABZTGNLSA-N	0	0	264.281	0.230	10	10		CCCERN
CCCNC(=O)CS(=O)(=O)Cc1ccc(N)cc1	ZINC000058240428	519881506	/nfs/dbraw/zinc/88/15/06/519881506.db2.gz	UQPZCGUWDHSPED-UHFFFAOYSA-N	0	0	270.354	0.710	10	10		CCCERN
CCCOc1cc(N(CCO)CCO)ccc1N	ZINC000104235600	185938628	/nfs/dbraw/zinc/93/86/28/185938628.db2.gz	BYSJDIJXBUJCNW-UHFFFAOYSA-N	0	0	254.330	0.849	10	10		CCCERN
CO[C@@H]1[C@H](C)O[C@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H]1O	ZINC000167130607	350806222	/nfs/dbraw/zinc/80/62/22/350806222.db2.gz	XLYHRKWYMNGXHX-JTUUIPCUSA-N	0	0	269.297	0.129	10	10		CCCERN
C[C@@H]1CN=C(C(=O)NCCc2ccc(O)c(O)c2)N1	ZINC000256031090	352546390	/nfs/dbraw/zinc/54/63/90/352546390.db2.gz	ZEDPLFSVXLHAJQ-MRVPVSSYSA-N	0	0	263.297	0.147	10	10		CCCERN
CN(c1ccc(N)cc1)S(=O)(=O)N1CCOCC1	ZINC000020374243	171169810	/nfs/dbraw/zinc/16/98/10/171169810.db2.gz	HOZJDHJISIFTTQ-UHFFFAOYSA-N	0	0	271.342	0.282	10	10		CCCERN
CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000725272006	545888279	/nfs/dbraw/zinc/88/82/79/545888279.db2.gz	YDTZTUVBLQRVKT-LLVKDONJSA-N	0	0	267.285	0.900	10	10		CCCERN
Nc1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000058082947	295353546	/nfs/dbraw/zinc/35/35/46/295353546.db2.gz	AWGRXYPBZHBOAY-AWEZNQCLSA-N	0	0	295.408	0.578	10	10		CCCERN
Cn1cc([C@@H]2CNCCN2C(=O)Cc2ccc(N)cc2)cn1	ZINC000181353274	329231790	/nfs/dbraw/zinc/23/17/90/329231790.db2.gz	WZQQRURQXJTILE-HNNXBMFYSA-N	0	0	299.378	0.718	10	10		CCCERN
O=C(NC[C@H]1CCC[C@H]1O)c1cccc(O)c1O	ZINC000126627136	526611602	/nfs/dbraw/zinc/61/16/02/526611602.db2.gz	CNRVZWKQSXPQNZ-PSASIEDQSA-N	0	0	251.282	0.989	10	10		CCCERN
Nc1cc2c(cc1N1CCCOCC1)NC(=O)CO2	ZINC000061916886	527462563	/nfs/dbraw/zinc/46/25/63/527462563.db2.gz	SYDRAAUDVGQPOV-UHFFFAOYSA-N	0	0	263.297	0.826	10	10		CCCERN
O=C(NCCc1ccc(O)c(O)c1)C1=NCCCCN1	ZINC000256029953	352546480	/nfs/dbraw/zinc/54/64/80/352546480.db2.gz	GIGCLMCZZACJJS-UHFFFAOYSA-N	0	0	277.324	0.538	10	10		CCCERN
CC(C)(CO)[C@H](O)C(=O)NCCc1ccc(N)cc1	ZINC000584600088	359178078	/nfs/dbraw/zinc/17/80/78/359178078.db2.gz	LNBCDUZUZYBHNA-GFCCVEGCSA-N	0	0	266.341	0.307	10	10		CCCERN
CCc1nc2c(nc1C)C(=O)c1nccnc1C2=O	ZINC000027524382	171519284	/nfs/dbraw/zinc/51/92/84/171519284.db2.gz	KLFHQRKNDZPCNU-UHFFFAOYSA-N	0	0	254.249	0.913	10	10		CCCERN
COc1ccc(S(=O)(=O)[N-][N+]#N)cc1C(N)=O	ZINC000034669536	171855994	/nfs/dbraw/zinc/85/59/94/171855994.db2.gz	JGOSRHNCQHHGID-UHFFFAOYSA-N	0	0	256.243	0.793	10	10		CCCERN
Nc1ccc(OCCNS(=O)(=O)c2cn[nH]c2)cc1	ZINC000038079602	174089616	/nfs/dbraw/zinc/08/96/16/174089616.db2.gz	GMUJPQYHSZBYFK-UHFFFAOYSA-N	0	0	282.325	0.349	10	10		CCCERN
CN1CCCc2cc(CNC(=O)[C@@H]3CNC(=O)C3)ccc21	ZINC000194924163	625604795	/nfs/dbraw/zinc/60/47/95/625604795.db2.gz	JIIASGITKXDMLE-ZDUSSCGKSA-N	0	0	287.363	0.821	10	10		CCCERN
COc1cccc([C@H]2NC(=O)[C@H]3COCCN32)c1O	ZINC000093883299	389037761	/nfs/dbraw/zinc/03/77/61/389037761.db2.gz	DMUUGMZGVKMIJI-SKDRFNHKSA-N	0	0	264.281	0.230	10	10		CCCERN
O=C1N[C@@H](c2cc(F)ccc2O)N2CCOC[C@H]12	ZINC000180269536	389668529	/nfs/dbraw/zinc/66/85/29/389668529.db2.gz	QLZJFNYKTOZGEX-MWLCHTKSSA-N	0	0	252.245	0.361	10	10		CCCERN
Nc1ccc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	ZINC000038083747	174093504	/nfs/dbraw/zinc/09/35/04/174093504.db2.gz	LTOYHKQZOHIOJQ-LLVKDONJSA-N	0	0	282.365	0.362	10	10		CCCERN
COc1ccc(O)c([C@H]2NC(=O)[C@@H]3COCCN32)c1	ZINC000093885541	295168980	/nfs/dbraw/zinc/16/89/80/295168980.db2.gz	ZIMYZSRLGHGYJX-JQWIXIFHSA-N	0	0	264.281	0.230	10	10		CCCERN
CC(=O)NC1CN(C(=O)c2cccc(O)c2O)C1	ZINC000276178445	519648773	/nfs/dbraw/zinc/64/87/73/519648773.db2.gz	KKDFWWSCARLDMN-UHFFFAOYSA-N	0	0	250.254	0.058	10	10		CCCERN
C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)C1CC1	ZINC000031435102	637578743	/nfs/dbraw/zinc/57/87/43/637578743.db2.gz	UNGQIYVNNXKINE-SSDOTTSWSA-N	0	0	251.286	0.309	10	10		CCCERN
CC(C)(CO)[C@H](O)C(=O)NCc1ccc(N)cc1	ZINC000584600075	359177835	/nfs/dbraw/zinc/17/78/35/359177835.db2.gz	JYGJZTUIFAAEJV-LLVKDONJSA-N	0	0	252.314	0.264	10	10		CCCERN
COC(=O)c1ccc(Cn2cnccc2=O)c(O)c1	ZINC000584597790	359177919	/nfs/dbraw/zinc/17/79/19/359177919.db2.gz	LWPXGAQBJHKCHM-UHFFFAOYSA-N	0	0	260.249	0.784	10	10		CCCERN
Cc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O	ZINC000003818795	388758231	/nfs/dbraw/zinc/75/82/31/388758231.db2.gz	FUHFHTKNERQJIU-UHFFFAOYSA-N	0	0	298.298	0.476	10	10		CCCERN
CN1CCO[C@H](C[NH2+]Cc2cccc(F)c2[O-])C1	ZINC000158805172	389351727	/nfs/dbraw/zinc/35/17/27/389351727.db2.gz	MZMSDMZDBNQTNA-LLVKDONJSA-N	0	0	254.305	0.952	10	10		CCCERN
C[C@@H]1SC(=S)N(CCCC(=O)NCCO)C1=O	ZINC000011636220	170430337	/nfs/dbraw/zinc/43/03/37/170430337.db2.gz	JOKYHKVXHCZJKF-ZETCQYMHSA-N	0	0	276.383	0.124	10	10		CCCERN
C[C@H](Oc1ccc(N)cc1)C(=O)N1CCOCC1	ZINC000020388071	171177597	/nfs/dbraw/zinc/17/75/97/171177597.db2.gz	KFHZPXNTRVCAJR-JTQLQIEISA-N	0	0	250.298	0.895	10	10		CCCERN
CC(C)(CO)NS(=O)(=O)Cc1ccc(N)cc1	ZINC000035599434	172288687	/nfs/dbraw/zinc/28/86/87/172288687.db2.gz	IPGBVOKETPPKII-UHFFFAOYSA-N	0	0	258.343	0.459	10	10		CCCERN
Nc1ccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)cc1	ZINC000040166780	174198347	/nfs/dbraw/zinc/19/83/47/174198347.db2.gz	XKYYOEHRIPMQAH-JTQLQIEISA-N	0	0	267.310	0.701	10	10		CCCERN
C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccccc1O	ZINC000299255221	263236758	/nfs/dbraw/zinc/23/67/58/263236758.db2.gz	FLYKWSQNSKWCNE-MRVPVSSYSA-N	0	0	251.286	0.407	10	10		CCCERN
COC[C@H](C)NC(=O)CN(C)c1ccc(N)cc1	ZINC000049291251	522601224	/nfs/dbraw/zinc/60/12/24/522601224.db2.gz	GAFNKZZFGIURDJ-JTQLQIEISA-N	0	0	251.330	0.856	10	10		CCCERN
C[C@H](C(=O)N1CCOCC1)N(C)c1ccc(N)cc1	ZINC000020422583	171189186	/nfs/dbraw/zinc/18/91/86/171189186.db2.gz	RWEIVGZKPRWXMO-LLVKDONJSA-N	0	0	263.341	0.952	10	10		CCCERN
C[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc(N)cc1	ZINC000262039895	329998677	/nfs/dbraw/zinc/99/86/77/329998677.db2.gz	YKQWXJWHURNXJD-MFKMUULPSA-N	0	0	263.341	0.304	10	10		CCCERN
CCOc1ccc(O)c([C@H]2NC(=O)[C@H]3COCCN32)c1	ZINC000093884803	521153895	/nfs/dbraw/zinc/15/38/95/521153895.db2.gz	AQNVNULSBFPBEY-YPMHNXCESA-N	0	0	278.308	0.620	10	10		CCCERN
CS(=O)(=O)CCS(=O)(=O)Nc1ccc(N)cc1	ZINC000063141940	525130697	/nfs/dbraw/zinc/13/06/97/525130697.db2.gz	KAWKGOKOAZOVOS-UHFFFAOYSA-N	0	0	278.355	0.055	10	10		CCCERN
Nc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1	ZINC000137477044	527490797	/nfs/dbraw/zinc/49/07/97/527490797.db2.gz	QZZMYVJDJATVQW-GFCCVEGCSA-N	0	0	275.308	0.233	10	10		CCCERN
O=C(NCCCSc1nccs1)[C@@H]1CNC(=O)C1	ZINC000114375360	644425571	/nfs/dbraw/zinc/42/55/71/644425571.db2.gz	KVJKIYZQMFLQKK-QMMMGPOBSA-N	0	0	285.394	0.878	10	10		CCCERN
CCNC(=O)C1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000588405194	791145373	/nfs/dbraw/zinc/14/53/73/791145373.db2.gz	QXFXQMMWFNZCFG-XQRVVYSFSA-N	0	0	290.319	0.706	10	10		CCCERN
CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N)cc2)CC1	ZINC000019260002	170761100	/nfs/dbraw/zinc/76/11/00/170761100.db2.gz	AVBQPDLBDHEYPA-LLVKDONJSA-N	0	0	290.367	0.760	10	10		CCCERN
NC(=O)[C@H]1CCCN1C(=O)CCc1ccc(N)cc1	ZINC000037222753	173043115	/nfs/dbraw/zinc/04/31/15/173043115.db2.gz	BKYIDSKYTBUGMM-GFCCVEGCSA-N	0	0	261.325	0.678	10	10		CCCERN
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CNC(=O)C2)c1	ZINC000103529010	617273973	/nfs/dbraw/zinc/27/39/73/617273973.db2.gz	QTHSWFHKNGIOMW-RKDXNWHRSA-N	0	0	278.308	0.714	10	10		CCCERN
O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)C1=CC(=O)CS1	ZINC000909187816	635542676	/nfs/dbraw/zinc/54/26/76/635542676.db2.gz	PSURWLANQOBUMS-FXPVBKGRSA-N	0	0	279.321	0.755	10	10		CCCERN
C[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1	ZINC000061077400	637097308	/nfs/dbraw/zinc/09/73/08/637097308.db2.gz	HVCHYLIXQMZGGD-SECBINFHSA-N	0	0	264.329	0.426	10	10		CCCERN