smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1nc2ccc(NCCC3CCC3)nc2[nH]1	ZINC001168889945	811282117	/nfs/dbraw/zinc/28/21/17/811282117.db2.gz	ZDKIKCIEFGQNHJ-UHFFFAOYSA-N	-1	2	274.324	2.347	20	0		CEADLM
CC(=O)N[C@H]1C[C@H](Nc2cc([S-])cc(S)c2)C1	ZINC001170583824	812728241	/nfs/dbraw/zinc/72/82/41/812728241.db2.gz	HGONXCCVGXTNOF-KYZUINATSA-N	-1	2	268.407	2.343	20	0		CEADLM
CC(C)Cc1nc(=NC(=O)c2ccccc2O)s[n-]1	ZINC000618347116	348928761	/nfs/dbraw/zinc/92/87/61/348928761.db2.gz	RZJRPNXDSROEDB-UHFFFAOYSA-N	-1	2	277.349	2.116	20	0		CEADLM
COCC[N@H+](C)Cc1cc(O)ccc1Br	ZINC000132709714	366166787	/nfs/dbraw/zinc/16/67/87/366166787.db2.gz	NWYZAFHQVIGIJB-UHFFFAOYSA-N	-1	2	274.158	2.233	20	0		CEADLM
O=c1nc(C[NH2+]C2(C3CC3)CC2)[nH]c2ccsc21	ZINC000577718120	366385550	/nfs/dbraw/zinc/38/55/50/366385550.db2.gz	GQQKLFOFGLLMAQ-UHFFFAOYSA-N	-1	2	261.350	2.429	20	0		CEADLM
O=c1[nH]nc([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)[nH]1	ZINC000676989643	540971858	/nfs/dbraw/zinc/97/18/58/540971858.db2.gz	NLVYJFAFWPFDHY-JSGCOSHPSA-N	-1	2	284.363	2.377	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)on1	ZINC000190550800	369634758	/nfs/dbraw/zinc/63/47/58/369634758.db2.gz	QVICPZKCNAWNQA-LLVKDONJSA-N	-1	2	295.383	2.199	20	0		CEADLM
C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)O2	ZINC000366150036	372993562	/nfs/dbraw/zinc/99/35/62/372993562.db2.gz	ARSLWDCLQDWFHH-HSMVNMDESA-N	-1	2	295.354	2.300	20	0		CEADLM
C[C@H](CNc1nc(C2CCCCC2)ns1)C(=O)[O-]	ZINC000582184317	322453436	/nfs/dbraw/zinc/45/34/36/322453436.db2.gz	WUXXFEJWSURWSN-MRVPVSSYSA-N	-1	2	269.370	2.140	20	0		CEADLM
C[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)CO1	ZINC000459300105	290109295	/nfs/dbraw/zinc/10/92/95/290109295.db2.gz	UPERWGNUYFTPNM-STQMWFEESA-N	-1	2	299.374	2.458	20	0		CEADLM
C[C@H]1C[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CCO1	ZINC001234336240	807642530	/nfs/dbraw/zinc/64/25/30/807642530.db2.gz	QJJNJTZPHJEGMI-JOYOIKCWSA-N	-1	2	288.236	2.104	20	0		CEADLM
C[C@H]1C[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CCO1	ZINC001234336240	807642538	/nfs/dbraw/zinc/64/25/38/807642538.db2.gz	QJJNJTZPHJEGMI-JOYOIKCWSA-N	-1	2	288.236	2.104	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(NCCOC2CCCCC2)cc1	ZINC001171478815	815186306	/nfs/dbraw/zinc/18/63/06/815186306.db2.gz	DBTSFUOBMQOEST-UHFFFAOYSA-N	-1	2	299.307	2.251	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(NCCOC2CCCCC2)cc1	ZINC001171478815	815186307	/nfs/dbraw/zinc/18/63/07/815186307.db2.gz	DBTSFUOBMQOEST-UHFFFAOYSA-N	-1	2	299.307	2.251	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(-c2c(O)cccc2F)cc1	ZINC001245653306	813483200	/nfs/dbraw/zinc/48/32/00/813483200.db2.gz	CCPTZGOJSRDDCJ-UHFFFAOYSA-N	-1	2	268.180	2.001	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(-c2c(O)cccc2F)cc1	ZINC001245653306	813483204	/nfs/dbraw/zinc/48/32/04/813483204.db2.gz	CCPTZGOJSRDDCJ-UHFFFAOYSA-N	-1	2	268.180	2.001	20	0		CEADLM
CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(O)c(F)c2F)C1	ZINC001140892152	816401950	/nfs/dbraw/zinc/40/19/50/816401950.db2.gz	CBOFSOYUPPKLKY-GFCCVEGCSA-N	-1	2	298.333	2.113	20	0		CEADLM
Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(O)c1C	ZINC000336157761	365490623	/nfs/dbraw/zinc/49/06/23/365490623.db2.gz	FLAOLGBRJJIZMP-NSHDSACASA-N	-1	2	285.347	2.019	20	0		CEADLM
Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(O)c1C	ZINC000336157761	365490625	/nfs/dbraw/zinc/49/06/25/365490625.db2.gz	FLAOLGBRJJIZMP-NSHDSACASA-N	-1	2	285.347	2.019	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])cc2OC)C(=O)[C@@H]1C	ZINC000634611682	368762080	/nfs/dbraw/zinc/76/20/80/368762080.db2.gz	ATQMACZZOAUBMG-MRVPVSSYSA-N	-1	2	276.292	2.142	20	0		CEADLM
O=c1[nH]nc(CSC2(CO)CCCCC2)s1	ZINC000563238917	377138774	/nfs/dbraw/zinc/13/87/74/377138774.db2.gz	YRNHUZXMSLOFKF-UHFFFAOYSA-N	-1	2	260.384	2.172	20	0		CEADLM
O=C(N[C@H]1CC2CCC1CC2)c1cccc2[nH]nnc21	ZINC000554359528	380766451	/nfs/dbraw/zinc/76/64/51/380766451.db2.gz	ZZMKLNWALYQHOG-ZPPKWKGLSA-N	-1	2	270.336	2.266	20	0		CEADLM
O=C([O-])CCCN=c1nc(-c2cc(F)cc(F)c2)[nH]s1	ZINC000647456431	395716112	/nfs/dbraw/zinc/71/61/12/395716112.db2.gz	OREOIISUJLCVCJ-UHFFFAOYSA-N	-1	2	299.302	2.182	20	0		CEADLM
O=C([O-])CCCNc1nc(-c2cc(F)cc(F)c2)ns1	ZINC000647456431	395716114	/nfs/dbraw/zinc/71/61/14/395716114.db2.gz	OREOIISUJLCVCJ-UHFFFAOYSA-N	-1	2	299.302	2.182	20	0		CEADLM
O=c1[nH]nc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)s1	ZINC000367448736	156187335	/nfs/dbraw/zinc/18/73/35/156187335.db2.gz	LZNZPZMJKGKMIG-UHFFFAOYSA-N	-1	2	289.360	2.239	20	0		CEADLM
CC(C)(C)c1n[nH]c(=NCCC(C)(C)C(=O)[O-])s1	ZINC000424378491	281153891	/nfs/dbraw/zinc/15/38/91/281153891.db2.gz	SUEFECFHRNLXSK-UHFFFAOYSA-N	-1	2	271.386	2.170	20	0		CEADLM
O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1O)C1CC1	ZINC000833772701	605258049	/nfs/dbraw/zinc/25/80/49/605258049.db2.gz	HUCDEQSLTSWPCH-JTQLQIEISA-N	-1	2	283.711	2.029	20	0		CEADLM
C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000833895129	605690279	/nfs/dbraw/zinc/69/02/79/605690279.db2.gz	QWKUEZUSPWVUOE-SCSAIBSYSA-N	-1	2	293.106	2.294	20	0		CEADLM
COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1	ZINC001144657946	814144946	/nfs/dbraw/zinc/14/49/46/814144946.db2.gz	OCMHDNBOYIFEIB-SNVBAGLBSA-N	-1	2	299.317	2.446	20	0		CEADLM
Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(=N)n(C)[nH]2)cc1F	ZINC000625392128	350488515	/nfs/dbraw/zinc/48/85/15/350488515.db2.gz	QMNPMIFKUKBPON-ZDUSSCGKSA-N	-1	2	289.358	2.012	20	0		CEADLM
O=C(NCCC1CC(F)(F)C1)c1cccc2[nH]nnc21	ZINC000578840673	366554459	/nfs/dbraw/zinc/55/44/59/366554459.db2.gz	HARPOZPXBNKYTI-UHFFFAOYSA-N	-1	2	280.278	2.123	20	0		CEADLM
C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)O2	ZINC000366150037	372992327	/nfs/dbraw/zinc/99/23/27/372992327.db2.gz	ARSLWDCLQDWFHH-WQGACYEGSA-N	-1	2	295.354	2.300	20	0		CEADLM
CC(C)Cc1nsc(NCc2cccc(C(=O)[O-])c2)n1	ZINC000562780311	376999763	/nfs/dbraw/zinc/99/97/63/376999763.db2.gz	LVYWPLZGOXUZRU-UHFFFAOYSA-N	-1	2	291.376	2.469	20	0		CEADLM
Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)on1	ZINC000334576680	380627662	/nfs/dbraw/zinc/62/76/62/380627662.db2.gz	YGIBRNJGHUDFSW-SCZZXKLOSA-N	-1	2	287.310	2.287	20	0		CEADLM
COCC[N@H+](Cc1cncs1)Cc1nc(C)ccc1O	ZINC000448366098	261129415	/nfs/dbraw/zinc/12/94/15/261129415.db2.gz	ZTTWRZPMTBCKFM-UHFFFAOYSA-N	-1	2	293.392	2.201	20	0		CEADLM
CCCc1nc(=NC(=O)c2c(O)cccc2F)s[n-]1	ZINC000436975861	271698331	/nfs/dbraw/zinc/69/83/31/271698331.db2.gz	AEBKZLHBFQQKFS-UHFFFAOYSA-N	-1	2	281.312	2.010	20	0		CEADLM
CC(C)(C)c1nc(=NCCc2cccc(C(=O)[O-])c2)[nH]o1	ZINC000563214508	313723990	/nfs/dbraw/zinc/72/39/90/313723990.db2.gz	WXWKLLRYWCCZAP-UHFFFAOYSA-N	-1	2	289.335	2.142	20	0		CEADLM
CC(C)c1n[nH]c(=NC[C@H](C(=O)[O-])c2ccccc2)s1	ZINC000569582015	314002060	/nfs/dbraw/zinc/00/20/60/314002060.db2.gz	OYXPUPNVIPUCMW-NSHDSACASA-N	-1	2	291.376	2.364	20	0		CEADLM
CC(C)(C)c1nc(=NCc2cccc(C(=O)[O-])c2)[nH]o1	ZINC000571029020	314068353	/nfs/dbraw/zinc/06/83/53/314068353.db2.gz	AUFCOOLNLNBLSW-UHFFFAOYSA-N	-1	2	275.308	2.099	20	0		CEADLM
O=C([O-])CCCNC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000738576594	574868669	/nfs/dbraw/zinc/86/86/69/574868669.db2.gz	JWYUSBDHGGPIJW-UHFFFAOYSA-N	-1	2	292.118	2.294	20	0		CEADLM
O=C([O-])c1ccoc1COC(=O)c1cc(F)c(O)c(F)c1	ZINC000833353462	601447104	/nfs/dbraw/zinc/44/71/04/601447104.db2.gz	KWKYFDIVFXOQLD-UHFFFAOYSA-N	-1	2	298.197	2.319	20	0		CEADLM
CC[N@H+](Cc1ccccc1)Cc1nc2c(c(=O)[nH]1)COCC2	ZINC000877902340	650942885	/nfs/dbraw/zinc/94/28/85/650942885.db2.gz	MYEZZGNBMIFUOY-UHFFFAOYSA-N	-1	2	299.374	2.277	20	0		CEADLM
Cc1ccc(CN2CC[NH+](Cc3ccncc3O)CC2)cc1	ZINC001140278525	816224594	/nfs/dbraw/zinc/22/45/94/816224594.db2.gz	SSLPZULWQFUQHP-UHFFFAOYSA-N	-1	2	297.402	2.413	20	0		CEADLM
COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893634	816403956	/nfs/dbraw/zinc/40/39/56/816403956.db2.gz	WRYQGCNGABZGEB-MWLCHTKSSA-N	-1	2	299.317	2.301	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCS[C@@H](CC)C2)n1	ZINC000121596451	365591832	/nfs/dbraw/zinc/59/18/32/365591832.db2.gz	SEGQZAGJIAMQHK-NSHDSACASA-N	-1	2	267.398	2.072	20	0		CEADLM
Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(O)c1C	ZINC000336157760	365490657	/nfs/dbraw/zinc/49/06/57/365490657.db2.gz	FLAOLGBRJJIZMP-LLVKDONJSA-N	-1	2	285.347	2.019	20	0		CEADLM
Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(O)c1C	ZINC000336157760	365490663	/nfs/dbraw/zinc/49/06/63/365490663.db2.gz	FLAOLGBRJJIZMP-LLVKDONJSA-N	-1	2	285.347	2.019	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)n1	ZINC000639798113	371579109	/nfs/dbraw/zinc/57/91/09/371579109.db2.gz	UQKRMVMUAJGATH-GFCCVEGCSA-N	-1	2	299.378	2.074	20	0		CEADLM
CCC(CC)(CN=c1[nH]nc(C(C)C)s1)C(=O)[O-]	ZINC000424376874	281153840	/nfs/dbraw/zinc/15/38/40/281153840.db2.gz	QGHAYZINBVEJSC-UHFFFAOYSA-N	-1	2	271.386	2.386	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@H]1n1cc[nH+]c1	ZINC000828295224	602386838	/nfs/dbraw/zinc/38/68/38/602386838.db2.gz	BIRRYNFSGPFVOF-DGCLKSJQSA-N	-1	2	289.335	2.257	20	0		CEADLM
CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(O)c(F)c1	ZINC000894228358	629239977	/nfs/dbraw/zinc/23/99/77/629239977.db2.gz	GYIVULHBBNAOBO-SNVBAGLBSA-N	-1	2	269.316	2.305	20	0		CEADLM
CN1C[C@H](Nc2cc([S-])cc(S)c2)CCC1=O	ZINC001167250143	802605354	/nfs/dbraw/zinc/60/53/54/802605354.db2.gz	YIXROCKTFKYJNL-MRVPVSSYSA-N	-1	2	268.407	2.297	20	0		CEADLM
CN1C[C@@H](CNc2cc([S-])cc(S)c2)CC1=O	ZINC001168727353	809160862	/nfs/dbraw/zinc/16/08/62/809160862.db2.gz	RPWOMIOJVJHUMF-MRVPVSSYSA-N	-1	2	268.407	2.154	20	0		CEADLM
Cc1cc(=O)[nH]c(C=Cc2[nH+]ccn2CC(F)(F)F)n1	ZINC000287311229	376202414	/nfs/dbraw/zinc/20/24/14/376202414.db2.gz	ULWQKXKVXXPDNI-NSCUHMNNSA-N	-1	2	284.241	2.420	20	0		CEADLM
O=c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc(C2CC2)[nH]1	ZINC000656433080	415694490	/nfs/dbraw/zinc/69/44/90/415694490.db2.gz	CRAFBQNQMRSKQC-CQSZACIVSA-N	-1	2	299.378	2.093	20	0		CEADLM
CCC(CC)(CNc1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000424475739	271057737	/nfs/dbraw/zinc/05/77/37/271057737.db2.gz	TXALYPXELJAJLE-UHFFFAOYSA-N	-1	2	266.297	2.083	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(N[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC001169816076	811679276	/nfs/dbraw/zinc/67/92/76/811679276.db2.gz	HPWWCKVFUDKKNT-LSDHHAIUSA-N	-1	2	289.271	2.458	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(N[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC001169816076	811679281	/nfs/dbraw/zinc/67/92/81/811679281.db2.gz	HPWWCKVFUDKKNT-LSDHHAIUSA-N	-1	2	289.271	2.458	20	0		CEADLM
COc1cc[nH+]cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001176236912	816372099	/nfs/dbraw/zinc/37/20/99/816372099.db2.gz	BTQSTULTWDFCJT-UHFFFAOYSA-N	-1	2	288.259	2.230	20	0		CEADLM
CO[C@@H](C)c1nsc(NCC2(C(=O)[O-])CCCCC2)n1	ZINC000380086527	344821715	/nfs/dbraw/zinc/82/17/15/344821715.db2.gz	KEOVSUFEIPBNMM-VIFPVBQESA-N	-1	2	299.396	2.114	20	0		CEADLM
CCCCC1=NN(c2ccc(C(=O)[O-])nc2)C(=O)[C@H]1C	ZINC000634609252	368758511	/nfs/dbraw/zinc/75/85/11/368758511.db2.gz	AIBHYCOUBXBZCE-VIFPVBQESA-N	-1	2	275.308	2.309	20	0		CEADLM
CCc1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1O	ZINC000365993733	372978550	/nfs/dbraw/zinc/97/85/50/372978550.db2.gz	WDWDIWLUMOWRSW-AWEZNQCLSA-N	-1	2	299.374	2.204	20	0		CEADLM
CC[C@@H](C)CONC(=O)Nc1ccn2cc[nH+]c2c1	ZINC000297242506	378672043	/nfs/dbraw/zinc/67/20/43/378672043.db2.gz	WMTJSOPQPIHSOJ-SNVBAGLBSA-N	-1	2	262.313	2.434	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)on1	ZINC000334576682	380626917	/nfs/dbraw/zinc/62/69/17/380626917.db2.gz	YGIBRNJGHUDFSW-WCBMZHEXSA-N	-1	2	287.310	2.287	20	0		CEADLM
Cc1n[nH]c(NC(=O)c2cc(F)c(Cl)cc2F)n1	ZINC000152232459	394990567	/nfs/dbraw/zinc/99/05/67/394990567.db2.gz	QIRNJDWEWXQHPG-UHFFFAOYSA-N	-1	2	272.642	2.297	20	0		CEADLM
CC[N@@H+]1CCC[C@@H]1CN=c1nc(-c2ccccc2)o[nH]1	ZINC000450215882	395567714	/nfs/dbraw/zinc/56/77/14/395567714.db2.gz	LQSXWFWPAAMAQY-CYBMUJFWSA-N	-1	2	272.352	2.055	20	0		CEADLM
O=C([O-])c1c(-c2cccc(C(=O)[O-])c2)[nH+]c2n1CCCC2	ZINC000657201611	414800639	/nfs/dbraw/zinc/80/06/39/414800639.db2.gz	TWUYKFNRVYUQBR-UHFFFAOYSA-N	-1	2	286.287	2.283	20	0		CEADLM
C[C@@H](CC(=O)[O-])SCc1nc(=O)c2sccc2[nH]1	ZINC000090097043	600590093	/nfs/dbraw/zinc/59/00/93/600590093.db2.gz	FDOALQUAUMIEQC-LURJTMIESA-N	-1	2	284.362	2.081	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@@H]1n1cc[nH+]c1	ZINC000828295226	602386593	/nfs/dbraw/zinc/38/65/93/602386593.db2.gz	BIRRYNFSGPFVOF-YPMHNXCESA-N	-1	2	289.335	2.257	20	0		CEADLM
C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3O)o2)CCS1	ZINC000878054536	650985468	/nfs/dbraw/zinc/98/54/68/650985468.db2.gz	FXUQYVUZOCROBJ-SNVBAGLBSA-N	-1	2	291.376	2.380	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(-c2ccccc2F)cc1	ZINC001239553824	808714517	/nfs/dbraw/zinc/71/45/17/808714517.db2.gz	DUDJXVPFOSVKHH-UHFFFAOYSA-N	-1	2	252.181	2.296	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(-c2ccccc2F)cc1	ZINC001239553824	808714524	/nfs/dbraw/zinc/71/45/24/808714524.db2.gz	DUDJXVPFOSVKHH-UHFFFAOYSA-N	-1	2	252.181	2.296	20	0		CEADLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1	ZINC000055311069	362548437	/nfs/dbraw/zinc/54/84/37/362548437.db2.gz	AEWDQVMJYMITGS-UHFFFAOYSA-N	-1	2	299.279	2.226	20	0		CEADLM
CC(C)(C)c1nc(=NCCC(C)(C)C(=O)[O-])s[nH]1	ZINC000336788162	365809059	/nfs/dbraw/zinc/80/90/59/365809059.db2.gz	OIAQVZVLXZCFPH-UHFFFAOYSA-N	-1	2	271.386	2.170	20	0		CEADLM
C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ncccc1O	ZINC000578819332	366551488	/nfs/dbraw/zinc/55/14/88/366551488.db2.gz	LOUWMSGFPNVZDE-UHFFFAOYSA-N	-1	2	289.379	2.334	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1	ZINC000289984809	376587721	/nfs/dbraw/zinc/58/77/21/376587721.db2.gz	YBAZFAMWBCSLAN-SWLSCSKDSA-N	-1	2	291.395	2.134	20	0		CEADLM
O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(F)c(O)c(F)c1	ZINC000653319324	414986502	/nfs/dbraw/zinc/98/65/02/414986502.db2.gz	MHIWLWAKKIXLGY-SECBINFHSA-N	-1	2	299.273	2.140	20	0		CEADLM
C[N@H+]1CCC[C@H]1C(=O)Nc1c(O)cccc1Cl	ZINC000571775438	314105462	/nfs/dbraw/zinc/10/54/62/314105462.db2.gz	WCDXXGBZCXQXLG-VIFPVBQESA-N	-1	2	254.717	2.078	20	0		CEADLM
Clc1ccc2[nH+]cc(-c3nn[nH]n3)c(NC3CC3)c2c1	ZINC000737574750	574840534	/nfs/dbraw/zinc/84/05/34/574840534.db2.gz	SELRYJMJJYGPER-UHFFFAOYSA-N	-1	2	286.726	2.065	20	0		CEADLM
c1cc(-c2nn[nH]n2)oc1C[NH2+]C1(c2ccccc2)CC1	ZINC000823773570	599434940	/nfs/dbraw/zinc/43/49/40/599434940.db2.gz	WCYXKVRDDCVEEG-UHFFFAOYSA-N	-1	2	281.319	2.239	20	0		CEADLM
CC(C)(CNC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-]	ZINC000826595996	604312859	/nfs/dbraw/zinc/31/28/59/604312859.db2.gz	BMSBERMKBYIIJZ-UHFFFAOYSA-N	-1	2	289.690	2.025	20	0		CEADLM
C[C@H]1CC[N@H+](CCCF)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000805788263	647962052	/nfs/dbraw/zinc/96/20/52/647962052.db2.gz	JTGZEWIYHSAQOG-GUBZILKMSA-N	-1	2	284.297	2.123	20	0		CEADLM
Cc1n[nH]cc1C[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12	ZINC000879186350	651257179	/nfs/dbraw/zinc/25/71/79/651257179.db2.gz	IHIIGIOCKDLIHW-UHFFFAOYSA-N	-1	2	299.330	2.162	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(-c2ccc(F)cc2)cc1	ZINC001239477701	808650716	/nfs/dbraw/zinc/65/07/16/808650716.db2.gz	UURXYDONBCFDID-UHFFFAOYSA-N	-1	2	252.181	2.296	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(-c2ccc(F)cc2)cc1	ZINC001239477701	808650721	/nfs/dbraw/zinc/65/07/21/808650721.db2.gz	UURXYDONBCFDID-UHFFFAOYSA-N	-1	2	252.181	2.296	20	0		CEADLM
CC(C)Cc1nc(=NC(=O)c2c(O)cccc2F)s[n-]1	ZINC000618348954	348929393	/nfs/dbraw/zinc/92/93/93/348929393.db2.gz	DBALYOYWKIEMOI-UHFFFAOYSA-N	-1	2	295.339	2.256	20	0		CEADLM
CSCCONC(=O)Nc1c(C)cc[nH+]c1C	ZINC000286971748	376118310	/nfs/dbraw/zinc/11/83/10/376118310.db2.gz	BIZIZBNAFAQCSH-UHFFFAOYSA-N	-1	2	255.343	2.115	20	0		CEADLM
O=C(NOC1CCCC1)Nc1ccn2cc[nH+]c2c1	ZINC000290020464	376603643	/nfs/dbraw/zinc/60/36/43/376603643.db2.gz	AJUZXSNGROTMCX-UHFFFAOYSA-N	-1	2	260.297	2.330	20	0		CEADLM
CC(C)Cc1nsc(NC[C@@H](CC(C)C)C(=O)[O-])n1	ZINC000424372558	271051041	/nfs/dbraw/zinc/05/10/41/271051041.db2.gz	IBXMEMBCYGBVPZ-SNVBAGLBSA-N	-1	2	285.413	2.317	20	0		CEADLM
COc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C	ZINC001240864967	810804390	/nfs/dbraw/zinc/80/43/90/810804390.db2.gz	GGUOOOFKMXMHME-UHFFFAOYSA-N	-1	2	278.244	2.474	20	0		CEADLM
COc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1C	ZINC001240864967	810804397	/nfs/dbraw/zinc/80/43/97/810804397.db2.gz	GGUOOOFKMXMHME-UHFFFAOYSA-N	-1	2	278.244	2.474	20	0		CEADLM
Cc1c(C[N@@H+](C)Cc2cc(O)cc(F)c2)cnn1C	ZINC000578483244	366498882	/nfs/dbraw/zinc/49/88/82/366498882.db2.gz	FPVOJMACOXFNEN-UHFFFAOYSA-N	-1	2	263.316	2.205	20	0		CEADLM
Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1	ZINC000678282015	541110535	/nfs/dbraw/zinc/11/05/35/541110535.db2.gz	VDOMRUQCKNIRCF-BXKDBHETSA-N	-1	2	290.285	2.247	20	0		CEADLM
CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000377588610	374893110	/nfs/dbraw/zinc/89/31/10/374893110.db2.gz	UFKLJZGCHBFILG-STQMWFEESA-N	-1	2	296.415	2.021	20	0		CEADLM
CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc3[nH]nnc32)C1	ZINC000655311316	415181899	/nfs/dbraw/zinc/18/18/99/415181899.db2.gz	SSKQIBBCNABCGJ-MGCOHNPYSA-N	-1	2	288.351	2.034	20	0		CEADLM
O=C(N[C@H]1CCCC(F)(F)C1)c1cccc2[nH]nnc21	ZINC000526119356	313157287	/nfs/dbraw/zinc/15/72/87/313157287.db2.gz	SUNWLHWYCLYEHQ-QMMMGPOBSA-N	-1	2	280.278	2.266	20	0		CEADLM
C[N@H+]1CCC12CN(C(=O)c1cc(C(C)(C)C)ccc1O)C2	ZINC001269964504	805299168	/nfs/dbraw/zinc/29/91/68/805299168.db2.gz	QZZDDGGVOHEJCW-UHFFFAOYSA-N	-1	2	288.391	2.220	20	0		CEADLM
O=C([O-])c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2	ZINC000124549869	344315142	/nfs/dbraw/zinc/31/51/42/344315142.db2.gz	AFUOGGYCVJVEHC-UHFFFAOYSA-N	-1	2	285.347	2.030	20	0		CEADLM
COCC[C@@H]1COCC[N@@H+]1Cc1cc(O)ccc1Cl	ZINC000625442341	350499770	/nfs/dbraw/zinc/49/97/70/350499770.db2.gz	DPVMIWHNPFZIMS-GFCCVEGCSA-N	-1	2	285.771	2.283	20	0		CEADLM
O=C([O-])[C@@H]1CC[C@H](Nc2nc(C3CCCC3)ns2)C1	ZINC000578016281	366429650	/nfs/dbraw/zinc/42/96/50/366429650.db2.gz	RCMFAYRUEHSNSC-ZJUUUORDSA-N	-1	2	281.381	2.283	20	0		CEADLM
O=C([O-])[C@H]1CC[C@@H](Nc2nc(C3CCCC3)ns2)C1	ZINC000579838336	366712010	/nfs/dbraw/zinc/71/20/10/366712010.db2.gz	RCMFAYRUEHSNSC-VHSXEESVSA-N	-1	2	281.381	2.283	20	0		CEADLM
CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1O	ZINC000340318502	366848852	/nfs/dbraw/zinc/84/88/52/366848852.db2.gz	CIDMJWVPNCDSDY-UHFFFAOYSA-N	-1	2	256.733	2.326	20	0		CEADLM
C[C@@H](CNc1nc(C2CCCCC2)ns1)C(=O)[O-]	ZINC000582184318	366875089	/nfs/dbraw/zinc/87/50/89/366875089.db2.gz	WUXXFEJWSURWSN-QMMMGPOBSA-N	-1	2	269.370	2.140	20	0		CEADLM
O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@@H]1CCC[N@H+]1C1CC1	ZINC000330260137	377078415	/nfs/dbraw/zinc/07/84/15/377078415.db2.gz	SLWNYFVZBJZMKR-HNNXBMFYSA-N	-1	2	296.374	2.064	20	0		CEADLM
CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)o1	ZINC000450913105	378642220	/nfs/dbraw/zinc/64/22/20/378642220.db2.gz	YFFFNTZFOGNFHU-SNVBAGLBSA-N	-1	2	292.339	2.014	20	0		CEADLM
CSc1cc(CNC(=O)c2cccc3[nH]nnc32)ccn1	ZINC000526120261	313157251	/nfs/dbraw/zinc/15/72/51/313157251.db2.gz	FOADZLLKMPSOBL-UHFFFAOYSA-N	-1	2	299.359	2.005	20	0		CEADLM
CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc2[nH]nnc21	ZINC000580878000	322350602	/nfs/dbraw/zinc/35/06/02/322350602.db2.gz	KJWMZXPUDLRABG-BXKDBHETSA-N	-1	2	258.325	2.122	20	0		CEADLM
Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)cc(O)c1F	ZINC001244525390	812799050	/nfs/dbraw/zinc/79/90/50/812799050.db2.gz	NHGASZSSEJZRDG-UHFFFAOYSA-N	-1	2	282.207	2.310	20	0		CEADLM
Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)cc(O)c1F	ZINC001244525390	812799054	/nfs/dbraw/zinc/79/90/54/812799054.db2.gz	NHGASZSSEJZRDG-UHFFFAOYSA-N	-1	2	282.207	2.310	20	0		CEADLM
CC(=O)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1O	ZINC001148656994	814602792	/nfs/dbraw/zinc/60/27/92/814602792.db2.gz	DFXPFFDNIHDPHP-UHFFFAOYSA-N	-1	2	295.298	2.495	20	0		CEADLM
O=C(N[C@@H]1CC12CCCC2)c1cccc2[nH]nnc21	ZINC000567668183	299072817	/nfs/dbraw/zinc/07/28/17/299072817.db2.gz	NXKOOPJUHBIOJH-LLVKDONJSA-N	-1	2	256.309	2.020	20	0		CEADLM
C[N@@H+](Cc1c(F)ccc(O)c1F)C[C@@H]1CCC[C@@H]1O	ZINC000294423081	199033254	/nfs/dbraw/zinc/03/32/54/199033254.db2.gz	WXILJHKDAADUSM-CABZTGNLSA-N	-1	2	271.307	2.263	20	0		CEADLM
C[N@@H+](Cc1c(F)ccc(O)c1F)C[C@H]1CCC[C@@H]1O	ZINC000294423091	199034102	/nfs/dbraw/zinc/03/41/02/199034102.db2.gz	WXILJHKDAADUSM-SKDRFNHKSA-N	-1	2	271.307	2.263	20	0		CEADLM
CCCCc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1C	ZINC000634592683	368737889	/nfs/dbraw/zinc/73/78/89/368737889.db2.gz	QWTBUQHDEACXQI-CYBMUJFWSA-N	-1	2	265.401	2.497	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1	ZINC000289984813	376588451	/nfs/dbraw/zinc/58/84/51/376588451.db2.gz	YBAZFAMWBCSLAN-WFASDCNBSA-N	-1	2	291.395	2.134	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC12CCCCC2	ZINC000329734024	377004231	/nfs/dbraw/zinc/00/42/31/377004231.db2.gz	KATUFCPRMUDAKE-LLVKDONJSA-N	-1	2	264.373	2.303	20	0		CEADLM
CC[C@H](C)CONC(=O)Nc1ccn2cc[nH+]c2c1	ZINC000297242503	378671842	/nfs/dbraw/zinc/67/18/42/378671842.db2.gz	WMTJSOPQPIHSOJ-JTQLQIEISA-N	-1	2	262.313	2.434	20	0		CEADLM
O=C([O-])C1CCC(NC(=O)c2cc(F)c(O)c(F)c2)CC1	ZINC000263458882	131293755	/nfs/dbraw/zinc/29/37/55/131293755.db2.gz	VGEXNMIHJDLWRG-UHFFFAOYSA-N	-1	2	299.273	2.044	20	0		CEADLM
O=C(N[C@@H](C1CC1)C(F)(F)F)c1cccc2[nH]nnc21	ZINC000519739761	395216180	/nfs/dbraw/zinc/21/61/80/395216180.db2.gz	QFYJNPVQLFUSRA-JTQLQIEISA-N	-1	2	284.241	2.029	20	0		CEADLM
CC1(c2nc(=NC(=O)c3c([O-])cccc3F)s[nH]2)CC1	ZINC000529700292	395433299	/nfs/dbraw/zinc/43/32/99/395433299.db2.gz	ZKHWLOAGRZSDEN-UHFFFAOYSA-N	-1	2	293.323	2.109	20	0		CEADLM
CCC(CC)(CN=c1nc(C(C)(C)C)o[nH]1)C(=O)[O-]	ZINC000424378548	281153756	/nfs/dbraw/zinc/15/37/56/281153756.db2.gz	SZUYZIDRDZYJCO-UHFFFAOYSA-N	-1	2	269.345	2.092	20	0		CEADLM
O=C([O-])C1(CNC(=O)c2cccc(Cl)c2O)CCCC1	ZINC000833766851	605253824	/nfs/dbraw/zinc/25/38/24/605253824.db2.gz	QSINSRXPWZKEBS-UHFFFAOYSA-N	-1	2	297.738	2.420	20	0		CEADLM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000232388824	628947859	/nfs/dbraw/zinc/94/78/59/628947859.db2.gz	KTCGSPIONUQKDG-NTSWFWBYSA-N	-1	2	290.102	2.358	20	0		CEADLM
CCC[C@H]1C(=O)N(C(=O)c2cccc(C(=O)[O-])c2)N=C1C	ZINC000871963798	649229752	/nfs/dbraw/zinc/22/97/52/649229752.db2.gz	SOHIURZAIUXJGV-GFCCVEGCSA-N	-1	2	288.303	2.159	20	0		CEADLM
[O-]c1ccc(C[N@@H+]2CCCC3(COC3)C2)c(F)c1F	ZINC001140888773	816398781	/nfs/dbraw/zinc/39/87/81/816398781.db2.gz	WYRNPOADBUCOJP-UHFFFAOYSA-N	-1	2	269.291	2.283	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C[C@@]1(C)O	ZINC001140888390	816399844	/nfs/dbraw/zinc/39/98/44/816399844.db2.gz	RFDDXKZXVWKFKG-YMTOWFKASA-N	-1	2	271.307	2.263	20	0		CEADLM
CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(C)=O)c1O	ZINC000570970526	299287147	/nfs/dbraw/zinc/28/71/47/299287147.db2.gz	VYZRRRGJDVCDRD-CQSZACIVSA-N	-1	2	290.363	2.408	20	0		CEADLM
CCC1=NN(c2cccc(C(=O)[O-])c2C)C(=O)[C@@H]1C	ZINC000634633273	368786582	/nfs/dbraw/zinc/78/65/82/368786582.db2.gz	PZKXZDKBBPQVML-SECBINFHSA-N	-1	2	260.293	2.442	20	0		CEADLM
Cc1noc([C@H]2CCC[N@@H+]2Cc2nc(C)ccc2O)n1	ZINC000289910707	395090796	/nfs/dbraw/zinc/09/07/96/395090796.db2.gz	UZLXKVSFJXYWSV-GFCCVEGCSA-N	-1	2	274.324	2.124	20	0		CEADLM
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])o1	ZINC000833011716	601376314	/nfs/dbraw/zinc/37/63/14/601376314.db2.gz	YOUKRJSNXUVBMY-LBPRGKRZSA-N	-1	2	289.335	2.147	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(F)(F)CC2)n1	ZINC000796550063	629929652	/nfs/dbraw/zinc/92/96/52/629929652.db2.gz	LFRKJOVXPNDHFE-VIFPVBQESA-N	-1	2	257.284	2.283	20	0		CEADLM
Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1O	ZINC001243231338	812238563	/nfs/dbraw/zinc/23/85/63/812238563.db2.gz	ABUZDPPJIOAABS-UHFFFAOYSA-N	-1	2	264.217	2.171	20	0		CEADLM
Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1O	ZINC001243231338	812238569	/nfs/dbraw/zinc/23/85/69/812238569.db2.gz	ABUZDPPJIOAABS-UHFFFAOYSA-N	-1	2	264.217	2.171	20	0		CEADLM
COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893632	816404117	/nfs/dbraw/zinc/40/41/17/816404117.db2.gz	WRYQGCNGABZGEB-GXSJLCMTSA-N	-1	2	299.317	2.301	20	0		CEADLM
O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCc2cccc(O)c21	ZINC000613159320	347984895	/nfs/dbraw/zinc/98/48/95/347984895.db2.gz	LXNYHAOPUKXRNW-GFCCVEGCSA-N	-1	2	297.358	2.200	20	0		CEADLM
O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCc2cccc(O)c21	ZINC000613159320	347984898	/nfs/dbraw/zinc/98/48/98/347984898.db2.gz	LXNYHAOPUKXRNW-GFCCVEGCSA-N	-1	2	297.358	2.200	20	0		CEADLM
C[C@@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c21	ZINC000634630734	368781993	/nfs/dbraw/zinc/78/19/93/368781993.db2.gz	CPDOXSJDFILJLG-KRTXAFLBSA-N	-1	2	276.267	2.273	20	0		CEADLM
O=C(Nc1nc(Cl)ccc1O)[C@@H]1CCCc2cn[nH]c21	ZINC000373844021	374431083	/nfs/dbraw/zinc/43/10/83/374431083.db2.gz	XEPYYEGMEDSOLX-MRVPVSSYSA-N	-1	2	292.726	2.222	20	0		CEADLM
C[C@@H](CC(=O)[O-])Nc1nc(C2CCCCC2)ns1	ZINC000422560719	394710916	/nfs/dbraw/zinc/71/09/16/394710916.db2.gz	YMYMXVGAHFNKIV-QMMMGPOBSA-N	-1	2	269.370	2.283	20	0		CEADLM
C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)CO1	ZINC000459300104	290109175	/nfs/dbraw/zinc/10/91/75/290109175.db2.gz	UPERWGNUYFTPNM-QWHCGFSZSA-N	-1	2	299.374	2.458	20	0		CEADLM
C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)N=C12	ZINC000634598162	368745139	/nfs/dbraw/zinc/74/51/39/368745139.db2.gz	FHEGOEYCAYEHPH-KCJUWKMLSA-N	-1	2	258.277	2.134	20	0		CEADLM
Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)n1	ZINC000639396256	371308081	/nfs/dbraw/zinc/30/80/81/371308081.db2.gz	IQCRBIQVMZVRMS-LBPRGKRZSA-N	-1	2	297.358	2.438	20	0		CEADLM
CCN(CCC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1O	ZINC000829701938	604287957	/nfs/dbraw/zinc/28/79/57/604287957.db2.gz	ULFUNCBCZGOLRE-UHFFFAOYSA-N	-1	2	289.690	2.122	20	0		CEADLM
C[C@@H]1CO[C@@H]2C[N@H+](Cc3c(F)ccc(O)c3F)C[C@H]12	ZINC001233396070	807401736	/nfs/dbraw/zinc/40/17/36/807401736.db2.gz	IITYFFFMICPGNB-JRKPZEMJSA-N	-1	2	269.291	2.137	20	0		CEADLM
Cc1cccc(O)c1C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000628540791	351132786	/nfs/dbraw/zinc/13/27/86/351132786.db2.gz	VCEOJBUUVPXLTN-UHFFFAOYSA-N	-1	2	289.360	2.278	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)on1	ZINC000120246512	365395326	/nfs/dbraw/zinc/39/53/26/365395326.db2.gz	SNUPQVLBSINRQR-OLZOCXBDSA-N	-1	2	295.383	2.057	20	0		CEADLM
CC1(CNC(=O)c2cccc3[nH]nnc32)CCCC1	ZINC000183591682	368633372	/nfs/dbraw/zinc/63/33/72/368633372.db2.gz	DVGBTGOXEHFIER-UHFFFAOYSA-N	-1	2	258.325	2.268	20	0		CEADLM
C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)N=C12	ZINC000634598163	368744953	/nfs/dbraw/zinc/74/49/53/368744953.db2.gz	FHEGOEYCAYEHPH-KWQFWETISA-N	-1	2	258.277	2.134	20	0		CEADLM
CC[N@H+]1[C@H](C)CN(C(=O)c2c(O)cccc2F)C[C@@H]1C	ZINC000640607765	372061282	/nfs/dbraw/zinc/06/12/82/372061282.db2.gz	XRYGLLKXBYTGQN-PHIMTYICSA-N	-1	2	280.343	2.086	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)on1	ZINC000334576677	380627482	/nfs/dbraw/zinc/62/74/82/380627482.db2.gz	YGIBRNJGHUDFSW-PSASIEDQSA-N	-1	2	287.310	2.287	20	0		CEADLM
O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1O	ZINC000189208876	542329213	/nfs/dbraw/zinc/32/92/13/542329213.db2.gz	AVUFKYPREMTPSO-UHFFFAOYSA-N	-1	2	265.700	2.340	20	0		CEADLM
O=C1N=NC(C[N@@H+]2CCC[C@@H](c3nccs3)C2)S1	ZINC000375399162	157089657	/nfs/dbraw/zinc/08/96/57/157089657.db2.gz	GCRLPHOSARZLKO-MRVPVSSYSA-N	-1	2	282.394	2.080	20	0		CEADLM
Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(O)c1	ZINC000522011553	313139996	/nfs/dbraw/zinc/13/99/96/313139996.db2.gz	OVSUXGOLFFUONT-JTQLQIEISA-N	-1	2	259.309	2.241	20	0		CEADLM
Cc1ccc(-c2cc(C(=O)OCCCCC(=O)[O-])[nH]n2)o1	ZINC000738248645	574855988	/nfs/dbraw/zinc/85/59/88/574855988.db2.gz	ITQHDLUCYSTGHO-UHFFFAOYSA-N	-1	2	292.291	2.390	20	0		CEADLM
O=C([O-])NC[C@@H](C(=O)NOC1CCCC1)c1ccccc1	ZINC000834210101	605958344	/nfs/dbraw/zinc/95/83/44/605958344.db2.gz	MMPABBZSBWYOQU-CYBMUJFWSA-N	-1	2	292.335	2.028	20	0		CEADLM
CCC[C@@H]1C(=O)N(C(=O)c2cccc(C(=O)[O-])c2)N=C1C	ZINC000871963800	649229826	/nfs/dbraw/zinc/22/98/26/649229826.db2.gz	SOHIURZAIUXJGV-LBPRGKRZSA-N	-1	2	288.303	2.159	20	0		CEADLM
COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893635	816404145	/nfs/dbraw/zinc/40/41/45/816404145.db2.gz	WRYQGCNGABZGEB-ONGXEEELSA-N	-1	2	299.317	2.301	20	0		CEADLM
O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(O)c(Cl)c1	ZINC000044679249	362155801	/nfs/dbraw/zinc/15/58/01/362155801.db2.gz	HYAPRLQCAGKTFK-JTQLQIEISA-N	-1	2	280.755	2.012	20	0		CEADLM
O=C(NCCC1=CCCC1)c1cccc2[nH]nnc21	ZINC000188627943	369384791	/nfs/dbraw/zinc/38/47/91/369384791.db2.gz	PGYOWEBIQRCRQN-UHFFFAOYSA-N	-1	2	256.309	2.188	20	0		CEADLM
COC(=O)[C@@H](C)[N@H+](Cc1nc(C)ccc1O)C1CCC1	ZINC000276880357	374334409	/nfs/dbraw/zinc/33/44/09/374334409.db2.gz	ZZOXAPYRALXYQZ-LLVKDONJSA-N	-1	2	278.352	2.012	20	0		CEADLM
C[C@H](CC(=O)[O-])Nc1nc(C2CCCCC2)ns1	ZINC000422560718	394710930	/nfs/dbraw/zinc/71/09/30/394710930.db2.gz	YMYMXVGAHFNKIV-MRVPVSSYSA-N	-1	2	269.370	2.283	20	0		CEADLM
Cc1cccc2c1CCN2C(=O)c1ccc2[nH]nnc2c1	ZINC000195277875	395463257	/nfs/dbraw/zinc/46/32/57/395463257.db2.gz	FLHCSEVXKDKPSG-UHFFFAOYSA-N	-1	2	278.315	2.469	20	0		CEADLM
CC(C)(C)c1nc(Nc2cnn(C(C)(C)C(=O)[O-])c2)no1	ZINC000662894851	414794459	/nfs/dbraw/zinc/79/44/59/414794459.db2.gz	HEHFIUCNRFTHBA-UHFFFAOYSA-N	-1	2	293.327	2.127	20	0		CEADLM
Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(O)c1	ZINC000522011554	313139780	/nfs/dbraw/zinc/13/97/80/313139780.db2.gz	OVSUXGOLFFUONT-SNVBAGLBSA-N	-1	2	259.309	2.241	20	0		CEADLM
[S-]c1cc(S)cc(N[C@@H]2COCCC23OCCO3)c1	ZINC001168358195	806691898	/nfs/dbraw/zinc/69/18/98/806691898.db2.gz	OULMSHUDNOIUGX-GFCCVEGCSA-N	-1	2	299.417	2.208	20	0		CEADLM
Cc1nc(CC[N@@H+](C)Cc2cc(O)c(F)c(F)c2)no1	ZINC001232968505	807346213	/nfs/dbraw/zinc/34/62/13/807346213.db2.gz	DFXBODSIROSEGW-UHFFFAOYSA-N	-1	2	283.278	2.036	20	0		CEADLM
Oc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1	ZINC000625227769	350436416	/nfs/dbraw/zinc/43/64/16/350436416.db2.gz	WMNOHUIIZGFWFO-HUUCEWRRSA-N	-1	2	297.782	2.425	20	0		CEADLM
C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)N=C21	ZINC000634598161	368744884	/nfs/dbraw/zinc/74/48/84/368744884.db2.gz	FHEGOEYCAYEHPH-GZMMTYOYSA-N	-1	2	258.277	2.134	20	0		CEADLM
CCC1=NN(c2cccc(C(=O)[O-])c2C)C(=O)[C@H]1C	ZINC000634633274	368785972	/nfs/dbraw/zinc/78/59/72/368785972.db2.gz	PZKXZDKBBPQVML-VIFPVBQESA-N	-1	2	260.293	2.442	20	0		CEADLM
Cc1cccc(O)c1NC(=O)[C@@H]1CCn2cc[nH+]c2C1	ZINC000334459875	380442340	/nfs/dbraw/zinc/44/23/40/380442340.db2.gz	MLZLNFKPUBCBHC-LLVKDONJSA-N	-1	2	271.320	2.098	20	0		CEADLM
C[C@@H](CN=c1[nH]nc(Cc2ccccc2)s1)CC(=O)[O-]	ZINC000566298147	395510868	/nfs/dbraw/zinc/51/08/68/395510868.db2.gz	QEOQTWKMFVLNPQ-SNVBAGLBSA-N	-1	2	291.376	2.074	20	0		CEADLM
C[C@H](Nc1cccc(C(=O)[O-])[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656093149	415582258	/nfs/dbraw/zinc/58/22/58/415582258.db2.gz	VBCDWKUYBKWTJW-LPEHRKFASA-N	-1	2	292.335	2.327	20	0		CEADLM
Cc1[nH+]ccn1CCCCNc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000910300497	637983732	/nfs/dbraw/zinc/98/37/32/637983732.db2.gz	NHHMMZGSWNJWDQ-UHFFFAOYSA-N	-1	2	288.351	2.485	20	0		CEADLM
C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)C[N@@H+]1C1CC1	ZINC000775771855	646990357	/nfs/dbraw/zinc/99/03/57/646990357.db2.gz	XKNZNLJFVGGROU-ZJUUUORDSA-N	-1	2	294.782	2.401	20	0		CEADLM
C[C@@]1(O)CCC[N@H+](Cc2c(F)cc(O)cc2F)CC1	ZINC001144542178	814105575	/nfs/dbraw/zinc/10/55/75/814105575.db2.gz	RBLDDONSSCVBGR-CQSZACIVSA-N	-1	2	271.307	2.407	20	0		CEADLM
CN(Cc1c[nH+]c[nH]1)Cc1cc(O)ccc1Cl	ZINC000625528455	350519772	/nfs/dbraw/zinc/51/97/72/350519772.db2.gz	CUGJYFKMRKDTFV-UHFFFAOYSA-N	-1	2	251.717	2.401	20	0		CEADLM
O=C(NCC12CCC(CC1)C2)c1cccc2[nH]nnc21	ZINC000515466729	379221406	/nfs/dbraw/zinc/22/14/06/379221406.db2.gz	MENFJECMMMITHJ-UHFFFAOYSA-N	-1	2	270.336	2.268	20	0		CEADLM
CC(C)(C)CC[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456938	395716492	/nfs/dbraw/zinc/71/64/92/395716492.db2.gz	OEGCBELDOPFRDU-JTQLQIEISA-N	-1	2	280.324	2.471	20	0		CEADLM
O=C([O-])C1(CN=c2nc(-c3ccccc3)o[nH]2)CCCC1	ZINC000649402051	396142989	/nfs/dbraw/zinc/14/29/89/396142989.db2.gz	IXJVSCOKPDZNOX-UHFFFAOYSA-N	-1	2	287.319	2.215	20	0		CEADLM
O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1	ZINC000821515687	598184609	/nfs/dbraw/zinc/18/46/09/598184609.db2.gz	MAUIYWSRIZALOQ-VIFPVBQESA-N	-1	2	297.738	2.373	20	0		CEADLM
C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)C[N@@H+]1C1CC1	ZINC000775771851	646990231	/nfs/dbraw/zinc/99/02/31/646990231.db2.gz	XKNZNLJFVGGROU-UWVGGRQHSA-N	-1	2	294.782	2.401	20	0		CEADLM
COC(=O)CC[C@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1	ZINC001144657945	814144810	/nfs/dbraw/zinc/14/48/10/814144810.db2.gz	OCMHDNBOYIFEIB-JTQLQIEISA-N	-1	2	299.317	2.446	20	0		CEADLM
CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1CCC[N@@H+](C)C1	ZINC000053247265	232179131	/nfs/dbraw/zinc/17/91/31/232179131.db2.gz	FUCBLDSBXOMQFR-NSHDSACASA-N	-1	2	282.771	2.212	20	0		CEADLM
CCOC(=O)C(C)(C)ONC(=O)Nc1c(C)cc[nH+]c1C	ZINC000297056352	200073481	/nfs/dbraw/zinc/07/34/81/200073481.db2.gz	NMKVVOPRVBMUAM-UHFFFAOYSA-N	-1	2	295.339	2.093	20	0		CEADLM
Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccoc2)c1	ZINC000349083614	369239354	/nfs/dbraw/zinc/23/93/54/369239354.db2.gz	MGCNTOFVAXNMEV-UHFFFAOYSA-N	-1	2	295.316	2.395	20	0		CEADLM
C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656093079	415580727	/nfs/dbraw/zinc/58/07/27/415580727.db2.gz	TZWLCGPATPVJKM-INTQDDNPSA-N	-1	2	292.335	2.327	20	0		CEADLM
C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656093078	415581081	/nfs/dbraw/zinc/58/10/81/415581081.db2.gz	TZWLCGPATPVJKM-DVVUODLYSA-N	-1	2	292.335	2.327	20	0		CEADLM
O=C([O-])c1ccc(CCN=c2[nH]nc(C3CC3)s2)cc1	ZINC000573004172	314135250	/nfs/dbraw/zinc/13/52/50/314135250.db2.gz	QXCLACJTRJIVEW-UHFFFAOYSA-N	-1	2	289.360	2.190	20	0		CEADLM
Cc1ccc(CCNc2cccc(F)c2-c2nn[nH]n2)c[nH+]1	ZINC000737338243	574829230	/nfs/dbraw/zinc/82/92/30/574829230.db2.gz	YPMIVSSRYJSVPL-UHFFFAOYSA-N	-1	2	298.325	2.364	20	0		CEADLM
Oc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1Br	ZINC000334646447	364128607	/nfs/dbraw/zinc/12/86/07/364128607.db2.gz	SFEMPECLYWVPAV-JTQLQIEISA-N	-1	2	286.169	2.111	20	0		CEADLM
CCCCC1=NN(c2ccc(C(=O)[O-])cn2)C(=O)C1	ZINC000634609134	368757528	/nfs/dbraw/zinc/75/75/28/368757528.db2.gz	XCYAYAHTNWLSRV-UHFFFAOYSA-N	-1	2	261.281	2.063	20	0		CEADLM
CCCCc1cc(=O)n(-c2ccc(C(=O)[O-])cn2)[nH]1	ZINC000634609134	368757534	/nfs/dbraw/zinc/75/75/34/368757534.db2.gz	XCYAYAHTNWLSRV-UHFFFAOYSA-N	-1	2	261.281	2.063	20	0		CEADLM
C[C@@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c21	ZINC000634630732	368782085	/nfs/dbraw/zinc/78/20/85/368782085.db2.gz	CPDOXSJDFILJLG-JMCQJSRRSA-N	-1	2	276.267	2.273	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC12CCCCC2	ZINC000329734025	377004167	/nfs/dbraw/zinc/00/41/67/377004167.db2.gz	KATUFCPRMUDAKE-NSHDSACASA-N	-1	2	264.373	2.303	20	0		CEADLM
Cc1cc(C)nc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1	ZINC000334365728	380309724	/nfs/dbraw/zinc/30/97/24/380309724.db2.gz	OPTDNFSNGDEYLX-QMMMGPOBSA-N	-1	2	287.241	2.076	20	0		CEADLM
C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2O)C(C)(C)C1	ZINC000270925308	394742147	/nfs/dbraw/zinc/74/21/47/394742147.db2.gz	OVCRQYWNMGFQRE-UHFFFAOYSA-N	-1	2	282.771	2.212	20	0		CEADLM
CC(C)C[C@H](CN=c1[nH]nc(C(C)(C)C)s1)C(=O)[O-]	ZINC000424372448	271051017	/nfs/dbraw/zinc/05/10/17/271051017.db2.gz	HTLCGDZHMGEFGQ-SECBINFHSA-N	-1	2	285.413	2.416	20	0		CEADLM
OCC[N@@H+](Cc1cccc(O)c1Br)C1CC1	ZINC000459299846	290109319	/nfs/dbraw/zinc/10/93/19/290109319.db2.gz	LJNCANWHDGKZER-UHFFFAOYSA-N	-1	2	286.169	2.111	20	0		CEADLM
Cc1cncc(C(=O)Oc2ccccc2CC(=O)[O-])c1	ZINC000832987132	600975212	/nfs/dbraw/zinc/97/52/12/600975212.db2.gz	WWNWBALPASYMPH-UHFFFAOYSA-N	-1	2	271.272	2.236	20	0		CEADLM
CCCO[N-]C(=O)C1=NN(c2cc(C)ccc2F)CC1=O	ZINC000844087793	640602132	/nfs/dbraw/zinc/60/21/32/640602132.db2.gz	ZLYPWTKWLONWDN-UHFFFAOYSA-N	-1	2	293.298	2.097	20	0		CEADLM
CCOC(=O)c1cnoc1[N-]c1ccc(C(=O)O)s1	ZINC001174806319	816093488	/nfs/dbraw/zinc/09/34/88/816093488.db2.gz	ZQHVBDDZQKIUPW-UHFFFAOYSA-N	-1	2	282.277	2.355	20	0		CEADLM
CC(C)CCn1ccc(NC(=O)c2ccc3[nH]nnc3c2)n1	ZINC000121727228	365607566	/nfs/dbraw/zinc/60/75/66/365607566.db2.gz	NOYZDOYZGFDQGV-UHFFFAOYSA-N	-1	2	298.350	2.453	20	0		CEADLM
CC(C)c1n[nH]c(=NCCc2ccc(C(=O)[O-])cc2)s1	ZINC000577955115	366420812	/nfs/dbraw/zinc/42/08/12/366420812.db2.gz	CNVRFIIVFTYUGM-UHFFFAOYSA-N	-1	2	291.376	2.436	20	0		CEADLM
COC(=O)C[N@H+](Cc1cc(O)cc(F)c1)C1CCCC1	ZINC000186247178	368945923	/nfs/dbraw/zinc/94/59/23/368945923.db2.gz	FAMPOJGLIUQRLY-UHFFFAOYSA-N	-1	2	281.327	2.449	20	0		CEADLM
CC[C@H](NC(=O)c1cccc2[nH]nnc21)c1c(C)noc1C	ZINC000188641533	369386640	/nfs/dbraw/zinc/38/66/40/369386640.db2.gz	ZCNBIVZCFISOLT-NSHDSACASA-N	-1	2	299.334	2.444	20	0		CEADLM
O=C([O-])c1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2	ZINC000212052382	370164246	/nfs/dbraw/zinc/16/42/46/370164246.db2.gz	IOKCYVFBJFKWLK-UHFFFAOYSA-N	-1	2	285.347	2.030	20	0		CEADLM
CC(C)C[C@H](CN=c1nc(C(C)(C)C)o[nH]1)CC(=O)[O-]	ZINC000652535796	401537760	/nfs/dbraw/zinc/53/77/60/401537760.db2.gz	XQVZGMLMSCBDPI-JTQLQIEISA-N	-1	2	283.372	2.338	20	0		CEADLM
Cc1csc2c1C[N@@H+](Cc1n[nH]c(=O)s1)CC2	ZINC000375364445	157084016	/nfs/dbraw/zinc/08/40/16/157084016.db2.gz	XGLCUGHQQFBANQ-UHFFFAOYSA-N	-1	2	267.379	2.172	20	0		CEADLM
CCC1(NC(=O)c2cccc3[nH]nnc32)CCCC1	ZINC000567215454	299042412	/nfs/dbraw/zinc/04/24/12/299042412.db2.gz	XXWVSADGLFMCND-UHFFFAOYSA-N	-1	2	258.325	2.411	20	0		CEADLM
O=C([O-])C1(CN=c2[nH]nc(C3CC3)s2)CCCCC1	ZINC000575127576	314207994	/nfs/dbraw/zinc/20/79/94/314207994.db2.gz	LSLDWBGGWGFOHO-UHFFFAOYSA-N	-1	2	281.381	2.284	20	0		CEADLM
Cc1oc(CN=c2nc(C(C)(C)C)o[nH]2)cc1C(=O)[O-]	ZINC000577117335	314343017	/nfs/dbraw/zinc/34/30/17/314343017.db2.gz	RPDHUHRIIAXYIQ-UHFFFAOYSA-N	-1	2	279.296	2.001	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(C2=CCSCC2)cc1	ZINC001236372386	808087806	/nfs/dbraw/zinc/08/78/06/808087806.db2.gz	RUTKYOWFTRMDRU-UHFFFAOYSA-N	-1	2	256.263	2.010	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(C2=CCSCC2)cc1	ZINC001236372386	808087812	/nfs/dbraw/zinc/08/78/12/808087812.db2.gz	RUTKYOWFTRMDRU-UHFFFAOYSA-N	-1	2	256.263	2.010	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)CC[C@@H]1O	ZINC001144542152	814105439	/nfs/dbraw/zinc/10/54/39/814105439.db2.gz	QECMOIZMLMGIJS-XPTSAGLGSA-N	-1	2	271.307	2.263	20	0		CEADLM
CC(C)(C)c1nc(=NCc2ccc(CC(=O)[O-])cc2)[nH]o1	ZINC000629383244	351344049	/nfs/dbraw/zinc/34/40/49/351344049.db2.gz	YVAYRLNGUAEORV-UHFFFAOYSA-N	-1	2	289.335	2.028	20	0		CEADLM
Cc1c(C(=O)[O-])cccc1N1N=C2[C@@H](CC[C@@H]2C)C1=O	ZINC000634633252	368786140	/nfs/dbraw/zinc/78/61/40/368786140.db2.gz	PJMYYMUNZKDGFQ-GZMMTYOYSA-N	-1	2	272.304	2.442	20	0		CEADLM
CCc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)ccc1O	ZINC000365993734	372978384	/nfs/dbraw/zinc/97/83/84/372978384.db2.gz	WDWDIWLUMOWRSW-CQSZACIVSA-N	-1	2	299.374	2.204	20	0		CEADLM
C[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656093148	415582314	/nfs/dbraw/zinc/58/23/14/415582314.db2.gz	VBCDWKUYBKWTJW-KXUCPTDWSA-N	-1	2	292.335	2.327	20	0		CEADLM
Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OC(C)C)=N2)c1	ZINC000836797801	638708226	/nfs/dbraw/zinc/70/82/26/638708226.db2.gz	BGOREQIFIQOHFL-UHFFFAOYSA-N	-1	2	293.298	2.095	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](CCO)c2cccs2)n1	ZINC000790340203	648409551	/nfs/dbraw/zinc/40/95/51/648409551.db2.gz	XVDCRQUQQMSWHN-WDEREUQCSA-N	-1	2	293.392	2.326	20	0		CEADLM
[S-]c1cc(S)cc(N[C@H]2COCCC23OCCO3)c1	ZINC001168358196	806692361	/nfs/dbraw/zinc/69/23/61/806692361.db2.gz	OULMSHUDNOIUGX-LBPRGKRZSA-N	-1	2	299.417	2.208	20	0		CEADLM
COc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1OC	ZINC001239819337	808841349	/nfs/dbraw/zinc/84/13/49/808841349.db2.gz	KAMBVLJKRVJWHO-UHFFFAOYSA-N	-1	2	294.243	2.174	20	0		CEADLM
COc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1OC	ZINC001239819337	808841350	/nfs/dbraw/zinc/84/13/50/808841350.db2.gz	KAMBVLJKRVJWHO-UHFFFAOYSA-N	-1	2	294.243	2.174	20	0		CEADLM
CC(C)Oc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001240810075	810747054	/nfs/dbraw/zinc/74/70/54/810747054.db2.gz	LGJJWKUUMBPIRT-UHFFFAOYSA-N	-1	2	293.259	2.339	20	0		CEADLM
CC(C)Oc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001240810075	810747058	/nfs/dbraw/zinc/74/70/58/810747058.db2.gz	LGJJWKUUMBPIRT-UHFFFAOYSA-N	-1	2	293.259	2.339	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(N[C@@H]2CCCC(F)(F)C2)cc1	ZINC001169218776	811433950	/nfs/dbraw/zinc/43/39/50/811433950.db2.gz	LRWDROCYSHHFMJ-SNVBAGLBSA-N	-1	2	291.234	2.479	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(N[C@@H]2CCCC(F)(F)C2)cc1	ZINC001169218776	811433954	/nfs/dbraw/zinc/43/39/54/811433954.db2.gz	LRWDROCYSHHFMJ-SNVBAGLBSA-N	-1	2	291.234	2.479	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)on1	ZINC000175254307	368117600	/nfs/dbraw/zinc/11/76/00/368117600.db2.gz	MSVZZHDGGHHEIB-NXEZZACHSA-N	-1	2	294.380	2.426	20	0		CEADLM
O=C(Nc1ccc(Cl)cc1O)[C@H]1CCc2[nH+]ccn2C1	ZINC000682517499	541674461	/nfs/dbraw/zinc/67/44/61/541674461.db2.gz	ZYHNDZGVEYXMRZ-VIFPVBQESA-N	-1	2	291.738	2.443	20	0		CEADLM
Cc1c(C(=O)[O-])cccc1N1N=C2[C@H](C)CC[C@@H]2C1=O	ZINC000634633253	368786666	/nfs/dbraw/zinc/78/66/66/368786666.db2.gz	PJMYYMUNZKDGFQ-KCJUWKMLSA-N	-1	2	272.304	2.442	20	0		CEADLM
Cc1nc(C[NH2+]Cc2nc(C)ccc2O)c2n1CCCC2	ZINC000369421833	373411525	/nfs/dbraw/zinc/41/15/25/373411525.db2.gz	CUIFIICXQQKXCS-UHFFFAOYSA-N	-1	2	286.379	2.227	20	0		CEADLM
CC(C)(C)c1nc(=NCCc2ccc(C(=O)[O-])cc2)[nH]o1	ZINC000565041059	377540063	/nfs/dbraw/zinc/54/00/63/377540063.db2.gz	LUDPMTIBSLRAIR-UHFFFAOYSA-N	-1	2	289.335	2.142	20	0		CEADLM
O=C([O-])c1ccc(-c2cccc(-c3nc(=O)o[nH]3)c2)cc1	ZINC000649381361	396135111	/nfs/dbraw/zinc/13/51/11/396135111.db2.gz	VUISBIYRLXHIPW-UHFFFAOYSA-N	-1	2	282.255	2.395	20	0		CEADLM
O=c1[nH]c(C[N@H+]2CCC[C@H]2CO)nc2c3ccccc3oc21	ZINC000345095153	154279936	/nfs/dbraw/zinc/27/99/36/154279936.db2.gz	LZPRVBNRYAQTQE-JTQLQIEISA-N	-1	2	299.330	2.038	20	0		CEADLM
CC(C)(C)c1nc(=NC[C@@H](C(=O)[O-])c2ccccc2)[nH]o1	ZINC000569007094	313980748	/nfs/dbraw/zinc/98/07/48/313980748.db2.gz	BCLCNQMPSZSGNK-LLVKDONJSA-N	-1	2	289.335	2.069	20	0		CEADLM
CN(CC(=O)Nc1cc(Cl)cc(Cl)c1O)C(=O)[O-]	ZINC000833691749	604780564	/nfs/dbraw/zinc/78/05/64/604780564.db2.gz	HBUAEJAHAPYXOT-UHFFFAOYSA-N	-1	2	293.106	2.247	20	0		CEADLM
CC(C)(CC(=O)[O-])NC(=O)c1cccc(Cl)c1O	ZINC000833455963	605252482	/nfs/dbraw/zinc/25/24/82/605252482.db2.gz	IHXOFEIMPNVDBB-UHFFFAOYSA-N	-1	2	271.700	2.029	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](CCO)c2cccs2)n1	ZINC000790340194	648409584	/nfs/dbraw/zinc/40/95/84/648409584.db2.gz	XVDCRQUQQMSWHN-GHMZBOCLSA-N	-1	2	293.392	2.326	20	0		CEADLM
CC(C)(CNc1cc([S-])cc(S)c1)C(N)=O	ZINC001167606222	803191017	/nfs/dbraw/zinc/19/10/17/803191017.db2.gz	PNCFAZIJYNAEDI-UHFFFAOYSA-N	-1	2	256.396	2.187	20	0		CEADLM
COC[C@@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1	ZINC001144647645	814139652	/nfs/dbraw/zinc/13/96/52/814139652.db2.gz	KFVGCPWPNQGWCB-SECBINFHSA-N	-1	2	257.280	2.139	20	0		CEADLM
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1O	ZINC001140278791	816223401	/nfs/dbraw/zinc/22/34/01/816223401.db2.gz	WJRNWNAVNCLHCK-LBPRGKRZSA-N	-1	2	278.352	2.093	20	0		CEADLM
CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)C1(C)C	ZINC000673916410	540707329	/nfs/dbraw/zinc/70/73/29/540707329.db2.gz	BFAQKFUMOYCGJD-GWCFXTLKSA-N	-1	2	260.337	2.386	20	0		CEADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)[nH]1	ZINC000676989645	540971822	/nfs/dbraw/zinc/97/18/22/540971822.db2.gz	NLVYJFAFWPFDHY-TZMCWYRMSA-N	-1	2	284.363	2.377	20	0		CEADLM
O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(O)c1	ZINC000679636745	541298406	/nfs/dbraw/zinc/29/84/06/541298406.db2.gz	UWUVEZBMTHIQMM-UHFFFAOYSA-N	-1	2	253.261	2.292	20	0		CEADLM
CCCCC1=NN(c2ccc(C(=O)[O-])cn2)C(=O)[C@@H]1C	ZINC000634610067	368759310	/nfs/dbraw/zinc/75/93/10/368759310.db2.gz	POXXPLGTBHMWMB-SECBINFHSA-N	-1	2	275.308	2.309	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC=C(c3ccccn3)C2)n1	ZINC000514947660	379169964	/nfs/dbraw/zinc/16/99/64/379169964.db2.gz	HIYTWDRAICTCPA-UHFFFAOYSA-N	-1	2	296.374	2.429	20	0		CEADLM
CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2O)C[C@H]1C	ZINC000104144618	542371629	/nfs/dbraw/zinc/37/16/29/542371629.db2.gz	FSZJKOPNTQSELN-SNVBAGLBSA-N	-1	2	282.771	2.212	20	0		CEADLM
CC[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1COC1	ZINC000575014778	395644321	/nfs/dbraw/zinc/64/43/21/395644321.db2.gz	XFNJAQGVQXMBAC-UHFFFAOYSA-N	-1	2	285.347	2.070	20	0		CEADLM
O=c1[nH]nc(C[NH+]2CCC(c3nccs3)CC2)s1	ZINC000375399333	157089882	/nfs/dbraw/zinc/08/98/82/157089882.db2.gz	HJIROFCCCNYHRQ-UHFFFAOYSA-N	-1	2	282.394	2.080	20	0		CEADLM
C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000833895284	605400911	/nfs/dbraw/zinc/40/09/11/605400911.db2.gz	SVTQLCZCMWYLLV-SCSAIBSYSA-N	-1	2	293.106	2.294	20	0		CEADLM
CCCOC[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234333592	807641839	/nfs/dbraw/zinc/64/18/39/807641839.db2.gz	YEESPXWLQCUVCX-SNVBAGLBSA-N	-1	2	290.252	2.352	20	0		CEADLM
CCCOC[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234333592	807641845	/nfs/dbraw/zinc/64/18/45/807641845.db2.gz	YEESPXWLQCUVCX-SNVBAGLBSA-N	-1	2	290.252	2.352	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)CC[C@H]1O	ZINC001144542153	814104435	/nfs/dbraw/zinc/10/44/35/814104435.db2.gz	QECMOIZMLMGIJS-YMTOWFKASA-N	-1	2	271.307	2.263	20	0		CEADLM
CCC1=NN(c2ccc(CC(=O)[O-])cc2)C(=O)[C@H]1C	ZINC000634633182	368786419	/nfs/dbraw/zinc/78/64/19/368786419.db2.gz	MXZRBVRZYTZZLP-VIFPVBQESA-N	-1	2	260.293	2.062	20	0		CEADLM
Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)on1	ZINC000334576683	380627122	/nfs/dbraw/zinc/62/71/22/380627122.db2.gz	YGIBRNJGHUDFSW-WPRPVWTQSA-N	-1	2	287.310	2.287	20	0		CEADLM
O=C(N[C@@H]1CC2CCC1CC2)c1cccc2[nH]nnc21	ZINC000554359527	380766717	/nfs/dbraw/zinc/76/67/17/380766717.db2.gz	ZZMKLNWALYQHOG-SRHKJQAYSA-N	-1	2	270.336	2.266	20	0		CEADLM
Cc1oncc1NS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000436480263	395120103	/nfs/dbraw/zinc/12/01/03/395120103.db2.gz	ZFQXERIFAKDZDL-UHFFFAOYSA-N	-1	2	288.712	2.143	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)CCC(F)(F)F)n1	ZINC000565696563	395480841	/nfs/dbraw/zinc/48/08/41/395480841.db2.gz	JGBFRMPRMRDZLS-MRVPVSSYSA-N	-1	2	263.263	2.436	20	0		CEADLM
O=C1COc2ccc(OC3CC[NH+](CCF)CC3)cc21	ZINC001233676989	807447318	/nfs/dbraw/zinc/44/73/18/807447318.db2.gz	CCCGRZQHFYGBDA-UHFFFAOYSA-N	-1	2	279.311	2.074	20	0		CEADLM
C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(O)c(F)c1F	ZINC001140889162	816399072	/nfs/dbraw/zinc/39/90/72/816399072.db2.gz	ABPMLCMKLPXKTB-NXEZZACHSA-N	-1	2	271.307	2.263	20	0		CEADLM
CCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000377483310	374862579	/nfs/dbraw/zinc/86/25/79/374862579.db2.gz	BLUSEKGQVGOAIE-NSHDSACASA-N	-1	2	252.362	2.270	20	0		CEADLM
CC(C)c1n[nH]c(=NCCCCCC(=O)[O-])s1	ZINC000416429577	376068445	/nfs/dbraw/zinc/06/84/45/376068445.db2.gz	ZKYOTAHBCZZKBN-UHFFFAOYSA-N	-1	2	257.359	2.140	20	0		CEADLM
Cc1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c(O)c1	ZINC000529699808	395432934	/nfs/dbraw/zinc/43/29/34/395432934.db2.gz	VDSZQCDWIJCCCV-UHFFFAOYSA-N	-1	2	289.360	2.278	20	0		CEADLM
CCC(CC)(CN=c1[nH]nc(C2CC2)s1)C(=O)[O-]	ZINC000424378922	281154170	/nfs/dbraw/zinc/15/41/70/281154170.db2.gz	UJCYHAYDRIZLCA-UHFFFAOYSA-N	-1	2	269.370	2.140	20	0		CEADLM
O=C1N=NC([C@@H]2CCC[N@H+](CCOCC3CCCC3)C2)O1	ZINC000459437146	290148036	/nfs/dbraw/zinc/14/80/36/290148036.db2.gz	GROOXBKOIYTMQR-CYBMUJFWSA-N	-1	2	295.383	2.161	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCc3ccc(O)cc3C2)n1	ZINC000577144409	314345152	/nfs/dbraw/zinc/34/51/52/314345152.db2.gz	WTLBWMQRCBCOTF-NSHDSACASA-N	-1	2	285.347	2.316	20	0		CEADLM
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])o1	ZINC000833011715	601376260	/nfs/dbraw/zinc/37/62/60/601376260.db2.gz	YOUKRJSNXUVBMY-GFCCVEGCSA-N	-1	2	289.335	2.147	20	0		CEADLM
O=C(O)c1ccc([N-]c2nonc2C2CC2)s1	ZINC001174808214	816093956	/nfs/dbraw/zinc/09/39/56/816093956.db2.gz	QSUNCKJWTMGIHH-UHFFFAOYSA-N	-1	2	251.267	2.450	20	0		CEADLM
C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(O)c(F)c1F	ZINC001140889163	816398903	/nfs/dbraw/zinc/39/89/03/816398903.db2.gz	ABPMLCMKLPXKTB-UWVGGRQHSA-N	-1	2	271.307	2.263	20	0		CEADLM
O=C(Nc1cc[nH+]cc1O)C1CCC(C2CC2)CC1	ZINC000613086069	347970499	/nfs/dbraw/zinc/97/04/99/347970499.db2.gz	IJBLBJFNGWXIOW-UHFFFAOYSA-N	-1	2	260.337	2.364	20	0		CEADLM
C[N@@H+](Cc1c(F)ccc(O)c1F)C[C@H]1CCC[C@H]1O	ZINC000294423076	199034062	/nfs/dbraw/zinc/03/40/62/199034062.db2.gz	WXILJHKDAADUSM-BXKDBHETSA-N	-1	2	271.307	2.263	20	0		CEADLM
O=c1cc(C[N@@H+]2CCOCC23CCCC3)nc(C2CC2)[nH]1	ZINC000578601768	366516865	/nfs/dbraw/zinc/51/68/65/366516865.db2.gz	PHMYQBQJAPKHLJ-UHFFFAOYSA-N	-1	2	289.379	2.205	20	0		CEADLM
C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H]1c1ccc(F)c(F)c1	ZINC000194822315	370076440	/nfs/dbraw/zinc/07/64/40/370076440.db2.gz	RYICSIKXTPGBEB-MNOVXSKESA-N	-1	2	290.260	2.091	20	0		CEADLM
CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)CCS1	ZINC000247706774	371138073	/nfs/dbraw/zinc/13/80/73/371138073.db2.gz	ZCNZQKFFBQAGKZ-GHMZBOCLSA-N	-1	2	283.397	2.137	20	0		CEADLM
Cn1cncc1C[NH2+]Cc1cc(O)ccc1Br	ZINC000289820111	542226250	/nfs/dbraw/zinc/22/62/50/542226250.db2.gz	MDQWYKYYSPTUDM-UHFFFAOYSA-N	-1	2	296.168	2.178	20	0		CEADLM
CC(C)(C)c1n[nH]c(=NCC2(C(=O)[O-])CCCC2)s1	ZINC000649401850	396142660	/nfs/dbraw/zinc/14/26/60/396142660.db2.gz	LHNVHMBVLMHCAC-UHFFFAOYSA-N	-1	2	283.397	2.314	20	0		CEADLM
O=c1[nH]nc([C@@H]2CCC[N@H+](CCCC3CCC3)C2)[nH]1	ZINC000660559286	414875929	/nfs/dbraw/zinc/87/59/29/414875929.db2.gz	WVVZAUHYQJGHNX-GFCCVEGCSA-N	-1	2	264.373	2.270	20	0		CEADLM
CC[C@]1(C)C[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)CCO1	ZINC000248738611	280361912	/nfs/dbraw/zinc/36/19/12/280361912.db2.gz	LNZYDWUSFOLFOB-BXUZGUMPSA-N	-1	2	265.357	2.053	20	0		CEADLM
CCc1cc(=O)[nH]c(SCc2[nH]c(C)[nH+]c2C)n1	ZINC000917507689	640892004	/nfs/dbraw/zinc/89/20/04/640892004.db2.gz	FWVAZDAZQLIAND-UHFFFAOYSA-N	-1	2	264.354	2.377	20	0		CEADLM
CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccon3)ccc2O1	ZINC000273233495	192082910	/nfs/dbraw/zinc/08/29/10/192082910.db2.gz	SCFHTUPWUIVULK-UHFFFAOYSA-N	-1	2	294.332	2.189	20	0		CEADLM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000232388827	539612766	/nfs/dbraw/zinc/61/27/66/539612766.db2.gz	KTCGSPIONUQKDG-PHDIDXHHSA-N	-1	2	290.102	2.358	20	0		CEADLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1	ZINC000080178419	363646571	/nfs/dbraw/zinc/64/65/71/363646571.db2.gz	BAWHKZLOPNLYHN-UHFFFAOYSA-N	-1	2	287.318	2.149	20	0		CEADLM
CCCCC1=NN(c2ccc(C(=O)[O-])nc2)C(=O)[C@@H]1C	ZINC000634609251	368758266	/nfs/dbraw/zinc/75/82/66/368758266.db2.gz	AIBHYCOUBXBZCE-SECBINFHSA-N	-1	2	275.308	2.309	20	0		CEADLM
CN1CC[N@@H+](Cc2ncccc2O)[C@H](c2ccccc2)C1	ZINC000685407127	542132844	/nfs/dbraw/zinc/13/28/44/542132844.db2.gz	MYDYTLANJMUIGY-INIZCTEOSA-N	-1	2	283.375	2.276	20	0		CEADLM
CC(C)C[C@H](CN=c1nc(-c2ccccc2)o[nH]1)C(=O)[O-]	ZINC000424375477	281153152	/nfs/dbraw/zinc/15/31/52/281153152.db2.gz	NKDODMQGCMMDSP-GFCCVEGCSA-N	-1	2	289.335	2.317	20	0		CEADLM
O=C([O-])[C@@H](CN=c1[nH]nc(C2CC2)s1)c1ccccc1	ZINC000584116304	327042059	/nfs/dbraw/zinc/04/20/59/327042059.db2.gz	SGMLXAFQYONCGE-NSHDSACASA-N	-1	2	289.360	2.118	20	0		CEADLM
O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Cl)c1O	ZINC000821509107	598184749	/nfs/dbraw/zinc/18/47/49/598184749.db2.gz	YEIJTBIYBSPMLU-SNVBAGLBSA-N	-1	2	283.711	2.125	20	0		CEADLM
C[C@H](C(=O)Nc1ncccc1O)[N@@H+]1CCc2ccccc2C1	ZINC000180995941	368410343	/nfs/dbraw/zinc/41/03/43/368410343.db2.gz	JODVWJSRRCFADS-GFCCVEGCSA-N	-1	2	297.358	2.173	20	0		CEADLM
C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)N=C12	ZINC000634598164	368744759	/nfs/dbraw/zinc/74/47/59/368744759.db2.gz	FHEGOEYCAYEHPH-LDYMZIIASA-N	-1	2	258.277	2.134	20	0		CEADLM
Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)n1	ZINC000639396255	371308965	/nfs/dbraw/zinc/30/89/65/371308965.db2.gz	IQCRBIQVMZVRMS-GFCCVEGCSA-N	-1	2	297.358	2.438	20	0		CEADLM
O=C([O-])c1ccc(NS(=O)(=O)c2cccs2)s1	ZINC000035426803	172194332	/nfs/dbraw/zinc/19/43/32/172194332.db2.gz	YERGBVDZVKGGAM-UHFFFAOYSA-N	-1	2	289.359	2.309	20	0		CEADLM
CC(C)Cc1nsc(NC[C@H](CC(C)C)C(=O)[O-])n1	ZINC000424372557	271051729	/nfs/dbraw/zinc/05/17/29/271051729.db2.gz	IBXMEMBCYGBVPZ-JTQLQIEISA-N	-1	2	285.413	2.317	20	0		CEADLM
CC(C)C[C@@H](CN=c1nc(-c2ccccc2)o[nH]1)C(=O)[O-]	ZINC000424375479	281153147	/nfs/dbraw/zinc/15/31/47/281153147.db2.gz	NKDODMQGCMMDSP-LBPRGKRZSA-N	-1	2	289.335	2.317	20	0		CEADLM
CC(C)c1nsc(N[C@@H]2CC[C@H](CC(=O)[O-])C2)n1	ZINC000386152302	813155190	/nfs/dbraw/zinc/15/51/90/813155190.db2.gz	CWBUKVKCNBNTSL-DTWKUNHWSA-N	-1	2	269.370	2.139	20	0		CEADLM
CC(C)Cc1nc(=NC(=O)c2ccc(O)cc2F)s[n-]1	ZINC000618348335	348929309	/nfs/dbraw/zinc/92/93/09/348929309.db2.gz	KOVFPKSUUGELPQ-UHFFFAOYSA-N	-1	2	295.339	2.256	20	0		CEADLM
C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)O2	ZINC000366150038	372992843	/nfs/dbraw/zinc/99/28/43/372992843.db2.gz	ARSLWDCLQDWFHH-XHBSWPGZSA-N	-1	2	295.354	2.300	20	0		CEADLM
Cc1nc(=NC(=O)c2ccc(C(C)C)cc2O)s[n-]1	ZINC000331243331	377342092	/nfs/dbraw/zinc/34/20/92/377342092.db2.gz	RSSUIAJVYMAGMD-UHFFFAOYSA-N	-1	2	277.349	2.350	20	0		CEADLM
CCCc1nc(=NC(=O)c2cc(F)ccc2O)s[n-]1	ZINC000436547927	395126182	/nfs/dbraw/zinc/12/61/82/395126182.db2.gz	YVNUQQIWTMVQPZ-UHFFFAOYSA-N	-1	2	281.312	2.010	20	0		CEADLM
CC[C@@H](N=c1nc(-c2cc(F)cc(F)c2)[nH]s1)C(=O)[O-]	ZINC000647456333	395716052	/nfs/dbraw/zinc/71/60/52/395716052.db2.gz	JIWCZSKGOSDKGB-SECBINFHSA-N	-1	2	299.302	2.180	20	0		CEADLM
Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)n1	ZINC000375353756	157084742	/nfs/dbraw/zinc/08/47/42/157084742.db2.gz	QPACBGXRAAFFPN-GFCCVEGCSA-N	-1	2	258.325	2.156	20	0		CEADLM
CC(C)c1n[nH]c(=NC[C@@H](C(=O)[O-])c2ccccc2)s1	ZINC000569582013	314002160	/nfs/dbraw/zinc/00/21/60/314002160.db2.gz	OYXPUPNVIPUCMW-LLVKDONJSA-N	-1	2	291.376	2.364	20	0		CEADLM
O=C(CCCn1cc[nH+]c1)N1CCCc2cccc(O)c21	ZINC000155575052	540302068	/nfs/dbraw/zinc/30/20/68/540302068.db2.gz	FFZFJOGCIIIASJ-UHFFFAOYSA-N	-1	2	285.347	2.348	20	0		CEADLM
CC(C)=C[C@H]1[C@H](C(=O)Nc2cc[nH+]cc2O)C1(C)C	ZINC000673916411	540707323	/nfs/dbraw/zinc/70/73/23/540707323.db2.gz	BFAQKFUMOYCGJD-GXFFZTMASA-N	-1	2	260.337	2.386	20	0		CEADLM
CCCCC1=NN(c2ccc(C(=O)[O-])cn2)C(=O)[C@H]1C	ZINC000634610068	368759353	/nfs/dbraw/zinc/75/93/53/368759353.db2.gz	POXXPLGTBHMWMB-VIFPVBQESA-N	-1	2	275.308	2.309	20	0		CEADLM
COC1(CNC(=O)c2cccc3[nH]nnc32)CCCCC1	ZINC000188866172	369420490	/nfs/dbraw/zinc/42/04/90/369420490.db2.gz	HHFMCNWBTXXQCM-UHFFFAOYSA-N	-1	2	288.351	2.037	20	0		CEADLM
CC(C)C[C@H](CNc1cccc(C(=O)[O-])[nH+]1)CC(=O)[O-]	ZINC000662898907	414796417	/nfs/dbraw/zinc/79/64/17/414796417.db2.gz	SYBHFUBTRYIYRO-JTQLQIEISA-N	-1	2	280.324	2.329	20	0		CEADLM
C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC000459300103	290109382	/nfs/dbraw/zinc/10/93/82/290109382.db2.gz	UPERWGNUYFTPNM-OLZOCXBDSA-N	-1	2	299.374	2.458	20	0		CEADLM
O=C([O-])C1CCC(NC(=O)c2c(O)cc(F)cc2F)CC1	ZINC000739384293	574915084	/nfs/dbraw/zinc/91/50/84/574915084.db2.gz	OOTMWQHCMBXZRG-UHFFFAOYSA-N	-1	2	299.273	2.044	20	0		CEADLM
O=C([O-])CCCCCNC(=O)c1cccc(Cl)c1O	ZINC000821515675	598183660	/nfs/dbraw/zinc/18/36/60/598183660.db2.gz	ISTLLOITAPIVJD-UHFFFAOYSA-N	-1	2	285.727	2.420	20	0		CEADLM
CC(C)[C@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-]	ZINC000826710316	601388625	/nfs/dbraw/zinc/38/86/25/601388625.db2.gz	HNVHNOARVKBEPJ-VIFPVBQESA-N	-1	2	289.690	2.024	20	0		CEADLM
Cc1cn[nH]c1C[NH2+][C@@H](CC(=O)[O-])c1ccccc1F	ZINC000904045938	635423671	/nfs/dbraw/zinc/42/36/71/635423671.db2.gz	RSBTXBIUUZKCPJ-LBPRGKRZSA-N	-1	2	277.299	2.163	20	0		CEADLM
C[N@H+]1CCC[C@@H](CNc2nc(C3CCCC3)ns2)C1	ZINC000577718512	366386037	/nfs/dbraw/zinc/38/60/37/366386037.db2.gz	MDKHYUYBDJUOHK-NSHDSACASA-N	-1	2	280.441	2.371	20	0		CEADLM
CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1O	ZINC000570970525	299287352	/nfs/dbraw/zinc/28/73/52/299287352.db2.gz	VYZRRRGJDVCDRD-AWEZNQCLSA-N	-1	2	290.363	2.408	20	0		CEADLM
CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000377588608	374892037	/nfs/dbraw/zinc/89/20/37/374892037.db2.gz	UFKLJZGCHBFILG-OLZOCXBDSA-N	-1	2	296.415	2.021	20	0		CEADLM
O=C1N=NC(C[N@@H+]2CCC[C@H](c3nccs3)C2)S1	ZINC000375399163	157089974	/nfs/dbraw/zinc/08/99/74/157089974.db2.gz	GCRLPHOSARZLKO-QMMMGPOBSA-N	-1	2	282.394	2.080	20	0		CEADLM
O=C([O-])c1cccc(CCN=c2[nH]nc(C3CC3)s2)c1	ZINC000570048142	314026336	/nfs/dbraw/zinc/02/63/36/314026336.db2.gz	JFTAWUGRWSWFSB-UHFFFAOYSA-N	-1	2	289.360	2.190	20	0		CEADLM
Cc1cn[nH]c1C[NH2+][C@H](CC(=O)[O-])c1ccccc1F	ZINC000904045937	635423236	/nfs/dbraw/zinc/42/32/36/635423236.db2.gz	RSBTXBIUUZKCPJ-GFCCVEGCSA-N	-1	2	277.299	2.163	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(N[C@H]2CCCC(F)(F)C2)cc1	ZINC001169218775	811433328	/nfs/dbraw/zinc/43/33/28/811433328.db2.gz	LRWDROCYSHHFMJ-JTQLQIEISA-N	-1	2	291.234	2.479	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(N[C@H]2CCCC(F)(F)C2)cc1	ZINC001169218775	811433336	/nfs/dbraw/zinc/43/33/36/811433336.db2.gz	LRWDROCYSHHFMJ-JTQLQIEISA-N	-1	2	291.234	2.479	20	0		CEADLM
C[C@]1(O)CCC[N@H+](Cc2c(F)cc(O)cc2F)CC1	ZINC001144542177	814104817	/nfs/dbraw/zinc/10/48/17/814104817.db2.gz	RBLDDONSSCVBGR-AWEZNQCLSA-N	-1	2	271.307	2.407	20	0		CEADLM
Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1C(=O)[O-]	ZINC000106426528	186117010	/nfs/dbraw/zinc/11/70/10/186117010.db2.gz	VWTRQLISXXEKMS-UHFFFAOYSA-N	-1	2	296.286	2.217	20	0		CEADLM
Cc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1	ZINC000678282017	541110483	/nfs/dbraw/zinc/11/04/83/541110483.db2.gz	VDOMRUQCKNIRCF-JOYOIKCWSA-N	-1	2	290.285	2.247	20	0		CEADLM
O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Cl)ccc1O	ZINC000335813284	365016835	/nfs/dbraw/zinc/01/68/35/365016835.db2.gz	FCFVZPDPGFNLFT-VIFPVBQESA-N	-1	2	291.738	2.056	20	0		CEADLM
CCCCc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1C	ZINC000634592684	368737810	/nfs/dbraw/zinc/73/78/10/368737810.db2.gz	QWTBUQHDEACXQI-ZDUSSCGKSA-N	-1	2	265.401	2.497	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)n1	ZINC000289984805	376588074	/nfs/dbraw/zinc/58/80/74/376588074.db2.gz	YBAZFAMWBCSLAN-IUODEOHRSA-N	-1	2	291.395	2.134	20	0		CEADLM
O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1O)C1CC1	ZINC000833772702	605257974	/nfs/dbraw/zinc/25/79/74/605257974.db2.gz	HUCDEQSLTSWPCH-SNVBAGLBSA-N	-1	2	283.711	2.029	20	0		CEADLM
O=C(N[C@H]1CC12CCCC2)c1cccc2[nH]nnc21	ZINC000567668184	299072582	/nfs/dbraw/zinc/07/25/82/299072582.db2.gz	NXKOOPJUHBIOJH-NSHDSACASA-N	-1	2	256.309	2.020	20	0		CEADLM
Oc1ccc(Cl)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1	ZINC000625227762	350436555	/nfs/dbraw/zinc/43/65/55/350436555.db2.gz	WMNOHUIIZGFWFO-CABCVRRESA-N	-1	2	297.782	2.425	20	0		CEADLM
O=C([O-])c1c(-c2ccc(C(=O)[O-])cc2)[nH+]c2n1CCCC2	ZINC000519833347	540129059	/nfs/dbraw/zinc/12/90/59/540129059.db2.gz	NPMJGJNQNCKULV-UHFFFAOYSA-N	-1	2	286.287	2.283	20	0		CEADLM
C[C@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c21	ZINC000634630735	368781685	/nfs/dbraw/zinc/78/16/85/368781685.db2.gz	CPDOXSJDFILJLG-MADCSZMMSA-N	-1	2	276.267	2.273	20	0		CEADLM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2[nH]nnc2c1	ZINC000192837139	369859786	/nfs/dbraw/zinc/85/97/86/369859786.db2.gz	TYBHXMLHTPIFON-UHFFFAOYSA-N	-1	2	296.286	2.217	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)n1	ZINC000639798118	371579300	/nfs/dbraw/zinc/57/93/00/371579300.db2.gz	UQKRMVMUAJGATH-LBPRGKRZSA-N	-1	2	299.378	2.074	20	0		CEADLM
Cc1nsc(NC[C@H]2CCCC[N@@H+]2CC(C)C)n1	ZINC000439094168	377919477	/nfs/dbraw/zinc/91/94/77/377919477.db2.gz	SGVLUZXYHJVGCU-GFCCVEGCSA-N	-1	2	268.430	2.191	20	0		CEADLM
CC(C)(CCN=c1nc(-c2ccccc2)o[nH]1)C(=O)[O-]	ZINC000424372544	271051644	/nfs/dbraw/zinc/05/16/44/271051644.db2.gz	IAHBTLGZZNJLFB-UHFFFAOYSA-N	-1	2	275.308	2.071	20	0		CEADLM
Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2O)n1	ZINC000153627954	289118009	/nfs/dbraw/zinc/11/80/09/289118009.db2.gz	GRIRGHFLMYFCID-UHFFFAOYSA-N	-1	2	298.755	2.203	20	0		CEADLM
CC(=O)c1cccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)c1O	ZINC000577222301	314354519	/nfs/dbraw/zinc/35/45/19/314354519.db2.gz	JOPSZMBYTZRUSF-UHFFFAOYSA-N	-1	2	287.319	2.234	20	0		CEADLM
C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C(C)(C)C)ccc1O	ZINC001269964151	805299244	/nfs/dbraw/zinc/29/92/44/805299244.db2.gz	KCYCMXPQXBVCFP-BETUJISGSA-N	-1	2	288.391	2.218	20	0		CEADLM
Oc1cnccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1	ZINC001140279222	816224844	/nfs/dbraw/zinc/22/48/44/816224844.db2.gz	JWHRVHCULAKKFH-CQSZACIVSA-N	-1	2	297.349	2.093	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@H+]2CCS[C@H](C(C)C)C2)n1	ZINC000121591589	365590651	/nfs/dbraw/zinc/59/06/51/365590651.db2.gz	UYICDZLGQDVAAO-LBPRGKRZSA-N	-1	2	281.425	2.318	20	0		CEADLM
CN1CC[N@H+](Cc2ncccc2O)C[C@H]1Cc1ccccc1	ZINC000582387427	366905074	/nfs/dbraw/zinc/90/50/74/366905074.db2.gz	WBNHZZHSJYDCQD-MRXNPFEDSA-N	-1	2	297.402	2.146	20	0		CEADLM
O=C(NCc1cc(F)ccc1F)c1cccc2[nH]nnc21	ZINC000183573033	368632036	/nfs/dbraw/zinc/63/20/36/368632036.db2.gz	YYQGUJRLIVQGRZ-UHFFFAOYSA-N	-1	2	288.257	2.166	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])cc2F)C(=O)[C@@H]1C	ZINC000634618731	368767855	/nfs/dbraw/zinc/76/78/55/368767855.db2.gz	BQHPVLIISICPFK-SSDOTTSWSA-N	-1	2	264.256	2.273	20	0		CEADLM
COc1c(C)c[nH+]c(CN(C)Cc2ncccc2O)c1C	ZINC000561954939	376835377	/nfs/dbraw/zinc/83/53/77/376835377.db2.gz	RMOKEVASRFULFJ-UHFFFAOYSA-N	-1	2	287.363	2.440	20	0		CEADLM
CC1(C)CCC[N@@H+]1CCNc1nc(C2CC2)ns1	ZINC000450947458	378656086	/nfs/dbraw/zinc/65/60/86/378656086.db2.gz	BVLNHLNJWBNCEW-UHFFFAOYSA-N	-1	2	266.414	2.124	20	0		CEADLM
CC(C)Cc1nsc(NCC2(C(=O)[O-])CCCC2)n1	ZINC000649402075	396143683	/nfs/dbraw/zinc/14/36/83/396143683.db2.gz	KUGZIUIKSMUYJX-UHFFFAOYSA-N	-1	2	283.397	2.215	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)n1	ZINC000577144408	314345297	/nfs/dbraw/zinc/34/52/97/314345297.db2.gz	WTLBWMQRCBCOTF-LLVKDONJSA-N	-1	2	285.347	2.316	20	0		CEADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H]3CCCC3(F)F)C2)[nH]1	ZINC000579916637	366720672	/nfs/dbraw/zinc/72/06/72/366720672.db2.gz	USWKSHZTEJCUFB-NXEZZACHSA-N	-1	2	286.326	2.125	20	0		CEADLM
C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(O)c1Cl	ZINC000339272878	366695715	/nfs/dbraw/zinc/69/57/15/366695715.db2.gz	PUPOELALGJUYKC-LBPRGKRZSA-N	-1	2	298.814	2.246	20	0		CEADLM
Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1	ZINC000678282018	541109616	/nfs/dbraw/zinc/10/96/16/541109616.db2.gz	VDOMRUQCKNIRCF-SKDRFNHKSA-N	-1	2	290.285	2.247	20	0		CEADLM
C[N@@H+](Cc1c(F)ccc(O)c1F)CC1(O)CCCC1	ZINC000295487764	378179807	/nfs/dbraw/zinc/17/98/07/378179807.db2.gz	XNZDNSBJPWWHGI-UHFFFAOYSA-N	-1	2	271.307	2.407	20	0		CEADLM
CCC(CC)(CNc1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000647456884	395716484	/nfs/dbraw/zinc/71/64/84/395716484.db2.gz	JJKFAUCOMSIUGQ-UHFFFAOYSA-N	-1	2	266.297	2.083	20	0		CEADLM
CC[C@@H](C(=O)[O-])[N@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1	ZINC000650806795	401072713	/nfs/dbraw/zinc/07/27/13/401072713.db2.gz	IZOLSMQDAHUGFR-HNNXBMFYSA-N	-1	2	287.363	2.476	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@@H]1n1cc[nH+]c1	ZINC000828295223	602386517	/nfs/dbraw/zinc/38/65/17/602386517.db2.gz	BIRRYNFSGPFVOF-AAEUAGOBSA-N	-1	2	289.335	2.257	20	0		CEADLM
CN1C[C@@H](Nc2cc([S-])cc(S)c2)CCC1=O	ZINC001167250144	802605723	/nfs/dbraw/zinc/60/57/23/802605723.db2.gz	YIXROCKTFKYJNL-QMMMGPOBSA-N	-1	2	268.407	2.297	20	0		CEADLM
O=C([O-])c1cc(Nc2cccc3[nH+]ccn32)cc(C(=O)[O-])c1	ZINC001176237044	816372651	/nfs/dbraw/zinc/37/26/51/816372651.db2.gz	UFXAXAPUCOVWSD-UHFFFAOYSA-N	-1	2	297.270	2.474	20	0		CEADLM
CSc1ccc(O)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1	ZINC000668758703	539267979	/nfs/dbraw/zinc/26/79/79/539267979.db2.gz	FRIZBNNWFHWGCF-UHFFFAOYSA-N	-1	2	289.360	2.008	20	0		CEADLM
Oc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1	ZINC000625227772	350436168	/nfs/dbraw/zinc/43/61/68/350436168.db2.gz	WMNOHUIIZGFWFO-LSDHHAIUSA-N	-1	2	297.782	2.425	20	0		CEADLM
C[C@H](CCc1cccn1C)NC(=O)c1cccc2[nH]nnc21	ZINC000182784883	368589044	/nfs/dbraw/zinc/58/90/44/368589044.db2.gz	UMQNXSUGXZVBNU-LLVKDONJSA-N	-1	2	297.362	2.048	20	0		CEADLM
Cc1noc([C@@H]2CCC[N@@H+]2Cc2nc(C)ccc2O)n1	ZINC000289910712	395090700	/nfs/dbraw/zinc/09/07/00/395090700.db2.gz	UZLXKVSFJXYWSV-LBPRGKRZSA-N	-1	2	274.324	2.124	20	0		CEADLM
O=C([O-])CCCCCNC(=O)c1cc(F)c(O)c(F)c1	ZINC000455824937	289513941	/nfs/dbraw/zinc/51/39/41/289513941.db2.gz	HOXGCWCVBDNSPD-UHFFFAOYSA-N	-1	2	287.262	2.045	20	0		CEADLM
CC(C)C[C@@H](CN=c1[nH]nc(C(C)C)s1)C(=O)[O-]	ZINC000424368861	271050736	/nfs/dbraw/zinc/05/07/36/271050736.db2.gz	AQLFBWMCAUNKTG-VIFPVBQESA-N	-1	2	271.386	2.242	20	0		CEADLM
CN(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)[O-]	ZINC000833692399	605226115	/nfs/dbraw/zinc/22/61/15/605226115.db2.gz	OKSAAAZNYASIGJ-UHFFFAOYSA-N	-1	2	293.106	2.247	20	0		CEADLM
OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(O)c2F)C1	ZINC001233049327	807362058	/nfs/dbraw/zinc/36/20/58/807362058.db2.gz	BZVZXLZNQSZICK-GFCCVEGCSA-N	-1	2	293.260	2.278	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(-c2c(Cl)cccc2CO)cc1	ZINC001243713021	812511126	/nfs/dbraw/zinc/51/11/26/812511126.db2.gz	DYOAZADJUCCTAE-UHFFFAOYSA-N	-1	2	298.662	2.302	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(-c2c(Cl)cccc2CO)cc1	ZINC001243713021	812511130	/nfs/dbraw/zinc/51/11/30/812511130.db2.gz	DYOAZADJUCCTAE-UHFFFAOYSA-N	-1	2	298.662	2.302	20	0		CEADLM
C[C@]1(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)CCCO1	ZINC000131098219	366019572	/nfs/dbraw/zinc/01/95/72/366019572.db2.gz	YMLFQSJQQRUGAN-CQSZACIVSA-N	-1	2	290.298	2.118	20	0		CEADLM
O=c1[nH]nc([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)[nH]1	ZINC000676989642	540971771	/nfs/dbraw/zinc/97/17/71/540971771.db2.gz	NLVYJFAFWPFDHY-GXTWGEPZSA-N	-1	2	284.363	2.377	20	0		CEADLM
CC(C)C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1	ZINC000119133660	365221890	/nfs/dbraw/zinc/22/18/90/365221890.db2.gz	PLRHNFJBBOHVBU-ZDUSSCGKSA-N	-1	2	288.395	2.281	20	0		CEADLM
C[C@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c21	ZINC000634630733	368782424	/nfs/dbraw/zinc/78/24/24/368782424.db2.gz	CPDOXSJDFILJLG-JVXZTZIISA-N	-1	2	276.267	2.273	20	0		CEADLM
CCc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)c(O)c1	ZINC000189667295	369555458	/nfs/dbraw/zinc/55/54/58/369555458.db2.gz	IVPKFZRCBOESPR-UHFFFAOYSA-N	-1	2	299.374	2.346	20	0		CEADLM
CCC(CC)(CNc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456940	395716327	/nfs/dbraw/zinc/71/63/27/395716327.db2.gz	OHQFNUOCHSKDEN-UHFFFAOYSA-N	-1	2	266.297	2.083	20	0		CEADLM
CC[C@H](C(=O)[O-])[N@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1	ZINC000650806796	401073152	/nfs/dbraw/zinc/07/31/52/401073152.db2.gz	IZOLSMQDAHUGFR-OAHLLOKOSA-N	-1	2	287.363	2.476	20	0		CEADLM
O=C([O-])[C@H](CN=c1[nH]nc(C2CC2)s1)c1ccccc1	ZINC000584116303	327042202	/nfs/dbraw/zinc/04/22/02/327042202.db2.gz	SGMLXAFQYONCGE-LLVKDONJSA-N	-1	2	289.360	2.118	20	0		CEADLM
O=C([O-])c1ccc(COC(=O)c2cc(F)c(O)c(F)c2)o1	ZINC000833352548	601447186	/nfs/dbraw/zinc/44/71/86/601447186.db2.gz	FONGPNAOCDQJKM-UHFFFAOYSA-N	-1	2	298.197	2.319	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3O)o2)CCO1	ZINC000932336184	622604968	/nfs/dbraw/zinc/60/49/68/622604968.db2.gz	KQTBITYUKSUAFL-NSHDSACASA-N	-1	2	289.335	2.053	20	0		CEADLM
C[C@H]1C[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CCO1	ZINC001234336235	807643555	/nfs/dbraw/zinc/64/35/55/807643555.db2.gz	QJJNJTZPHJEGMI-CABZTGNLSA-N	-1	2	288.236	2.104	20	0		CEADLM
C[C@H]1C[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CCO1	ZINC001234336235	807643560	/nfs/dbraw/zinc/64/35/60/807643560.db2.gz	QJJNJTZPHJEGMI-CABZTGNLSA-N	-1	2	288.236	2.104	20	0		CEADLM
O=C([O-])c1cc(Nc2ccn3cc[nH+]c3c2)cc(C(=O)[O-])c1	ZINC001176236637	816371861	/nfs/dbraw/zinc/37/18/61/816371861.db2.gz	BAZFVQMWTZOGBD-UHFFFAOYSA-N	-1	2	297.270	2.474	20	0		CEADLM
CO[C@H](C)c1nsc(NCC2(C(=O)[O-])CCCCC2)n1	ZINC000380086525	344821802	/nfs/dbraw/zinc/82/18/02/344821802.db2.gz	KEOVSUFEIPBNMM-SECBINFHSA-N	-1	2	299.396	2.114	20	0		CEADLM
Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1O	ZINC000335967468	365230385	/nfs/dbraw/zinc/23/03/85/365230385.db2.gz	FAWQPSRPEVPDKZ-LBPRGKRZSA-N	-1	2	271.320	2.401	20	0		CEADLM
CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)CCS1	ZINC000247706776	371137718	/nfs/dbraw/zinc/13/77/18/371137718.db2.gz	ZCNZQKFFBQAGKZ-MNOVXSKESA-N	-1	2	283.397	2.137	20	0		CEADLM
O=C([O-])CCCCCN=c1nc(-c2ccccc2)o[nH]1	ZINC000416425061	376065711	/nfs/dbraw/zinc/06/57/11/376065711.db2.gz	GZIHOUAUWLCUDX-UHFFFAOYSA-N	-1	2	275.308	2.215	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@](C)(F)C2)n1	ZINC000295397419	378137852	/nfs/dbraw/zinc/13/78/52/378137852.db2.gz	LSMJGRMFZSQQQG-CYBMUJFWSA-N	-1	2	253.321	2.069	20	0		CEADLM
C[N@H+]1CCC[C@@H]1C(=O)Nc1c(O)cccc1Cl	ZINC000571775437	314105593	/nfs/dbraw/zinc/10/55/93/314105593.db2.gz	WCDXXGBZCXQXLG-SECBINFHSA-N	-1	2	254.717	2.078	20	0		CEADLM
C[C@H](CC(=O)[O-])SCc1nc(=O)c2sccc2[nH]1	ZINC000090097044	600590128	/nfs/dbraw/zinc/59/01/28/600590128.db2.gz	FDOALQUAUMIEQC-ZCFIWIBFSA-N	-1	2	284.362	2.081	20	0		CEADLM
CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(O)c(F)c1	ZINC000894228356	629240156	/nfs/dbraw/zinc/24/01/56/629240156.db2.gz	GYIVULHBBNAOBO-JTQLQIEISA-N	-1	2	269.316	2.305	20	0		CEADLM
Cc1ccc2cc(NCCOP(=O)([O-])[O-])[nH+]cc2c1	ZINC001168588089	808679810	/nfs/dbraw/zinc/67/98/10/808679810.db2.gz	YYCWAMDUHSKNQQ-UHFFFAOYSA-N	-1	2	282.236	2.064	20	0		CEADLM
Oc1ccc(Cl)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1	ZINC000625227767	350436277	/nfs/dbraw/zinc/43/62/77/350436277.db2.gz	WMNOHUIIZGFWFO-GJZGRUSLSA-N	-1	2	297.782	2.425	20	0		CEADLM
CC1(c2nc(=NC(=O)c3ccc(F)cc3[O-])s[nH]2)CC1	ZINC000529698161	395433295	/nfs/dbraw/zinc/43/32/95/395433295.db2.gz	KAOKFFZTMBXTLG-UHFFFAOYSA-N	-1	2	293.323	2.109	20	0		CEADLM
CC[N@@H+]1CCC[C@H]1CN=c1nc(-c2ccccc2)o[nH]1	ZINC000450215884	395567831	/nfs/dbraw/zinc/56/78/31/395567831.db2.gz	LQSXWFWPAAMAQY-ZDUSSCGKSA-N	-1	2	272.352	2.055	20	0		CEADLM
CC(C)C[C@H](CNc1[nH+]cccc1C(=O)[O-])CC(=O)[O-]	ZINC000662896475	414794178	/nfs/dbraw/zinc/79/41/78/414794178.db2.gz	XRLWJMLRRXCVJO-JTQLQIEISA-N	-1	2	280.324	2.329	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](CCO)c2cccs2)n1	ZINC000790340197	648409470	/nfs/dbraw/zinc/40/94/70/648409470.db2.gz	XVDCRQUQQMSWHN-MNOVXSKESA-N	-1	2	293.392	2.326	20	0		CEADLM
Cc1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc(=O)[nH]1	ZINC001212693443	815547544	/nfs/dbraw/zinc/54/75/44/815547544.db2.gz	XDPMIMPZFMBHHG-UHFFFAOYSA-N	-1	2	281.319	2.479	20	0		CEADLM
COC[C@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1	ZINC001144647646	814139744	/nfs/dbraw/zinc/13/97/44/814139744.db2.gz	KFVGCPWPNQGWCB-VIFPVBQESA-N	-1	2	257.280	2.139	20	0		CEADLM
COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893621	816404424	/nfs/dbraw/zinc/40/44/24/816404424.db2.gz	VUOITMLVEMHGJM-HNNXBMFYSA-N	-1	2	299.317	2.446	20	0		CEADLM
Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(O)c1)CCC2	ZINC000336585389	365679581	/nfs/dbraw/zinc/67/95/81/365679581.db2.gz	ZZMCSUNMNVXKFV-CYBMUJFWSA-N	-1	2	285.347	2.205	20	0		CEADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H]3CCCC3(F)F)C2)[nH]1	ZINC000579916638	366721200	/nfs/dbraw/zinc/72/12/00/366721200.db2.gz	USWKSHZTEJCUFB-UWVGGRQHSA-N	-1	2	286.326	2.125	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])c(F)c2)C(=O)[C@H]1C	ZINC000634632020	368785124	/nfs/dbraw/zinc/78/51/24/368785124.db2.gz	HZJAAVIDGPLLAE-ZETCQYMHSA-N	-1	2	264.256	2.273	20	0		CEADLM
CN(Cc1[nH+]ccn1C)C(=O)c1cc(O)ccc1Cl	ZINC000234296582	370533714	/nfs/dbraw/zinc/53/37/14/370533714.db2.gz	BJDKQRNVWRBGJM-UHFFFAOYSA-N	-1	2	279.727	2.051	20	0		CEADLM
CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1cc(C)no1	ZINC000270988186	373050185	/nfs/dbraw/zinc/05/01/85/373050185.db2.gz	HNPDVVNMBOCENV-GFCCVEGCSA-N	-1	2	288.351	2.227	20	0		CEADLM
Cc1nsc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)n1	ZINC000439094169	377919226	/nfs/dbraw/zinc/91/92/26/377919226.db2.gz	SGVLUZXYHJVGCU-LBPRGKRZSA-N	-1	2	268.430	2.191	20	0		CEADLM
CCc1nc(C)c(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)o1	ZINC000450913104	378641743	/nfs/dbraw/zinc/64/17/43/378641743.db2.gz	YFFFNTZFOGNFHU-JTQLQIEISA-N	-1	2	292.339	2.014	20	0		CEADLM
Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccoc1	ZINC000551996077	380672405	/nfs/dbraw/zinc/67/24/05/380672405.db2.gz	JJXXYRMVQHEAHF-UHFFFAOYSA-N	-1	2	299.279	2.226	20	0		CEADLM
O=C([O-])CCCCNC(=O)c1cccc(Cl)c1O	ZINC000821519492	598185313	/nfs/dbraw/zinc/18/53/13/598185313.db2.gz	TXRGCIJNFLJXBX-UHFFFAOYSA-N	-1	2	271.700	2.030	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](CCO)c2cccs2)n1	ZINC000790340200	648409383	/nfs/dbraw/zinc/40/93/83/648409383.db2.gz	XVDCRQUQQMSWHN-QWRGUYRKSA-N	-1	2	293.392	2.326	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)CC[C@@H]1O	ZINC001144542151	814104490	/nfs/dbraw/zinc/10/44/90/814104490.db2.gz	QECMOIZMLMGIJS-OTYXRUKQSA-N	-1	2	271.307	2.263	20	0		CEADLM
O=C1N=CNC(=O)C1[N-]c1c(F)ccc(F)c1F	ZINC001175028103	816127055	/nfs/dbraw/zinc/12/70/55/816127055.db2.gz	LACRLZLRYHXULS-UHFFFAOYSA-N	-1	2	257.171	2.049	20	0		CEADLM
CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(O)c(F)c2F)C1	ZINC001140892153	816401785	/nfs/dbraw/zinc/40/17/85/816401785.db2.gz	CBOFSOYUPPKLKY-LBPRGKRZSA-N	-1	2	298.333	2.113	20	0		CEADLM
CCc1nc(NC(=O)c2ccc3ccccc3c2O)n[nH]1	ZINC000182275046	368545500	/nfs/dbraw/zinc/54/55/00/368545500.db2.gz	IBUNTQCVRAVTPV-UHFFFAOYSA-N	-1	2	282.303	2.478	20	0		CEADLM
CCc1n[nH]c(NC(=O)c2ccc3ccccc3c2O)n1	ZINC000182275046	368545503	/nfs/dbraw/zinc/54/55/03/368545503.db2.gz	IBUNTQCVRAVTPV-UHFFFAOYSA-N	-1	2	282.303	2.478	20	0		CEADLM
Cc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C1CC1	ZINC000634630608	368781475	/nfs/dbraw/zinc/78/14/75/368781475.db2.gz	ADQJSDJYHCJUCI-LBPRGKRZSA-N	-1	2	276.267	2.273	20	0		CEADLM
Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ncc[nH]2)n1	ZINC000375353760	157083530	/nfs/dbraw/zinc/08/35/30/157083530.db2.gz	QPACBGXRAAFFPN-LBPRGKRZSA-N	-1	2	258.325	2.156	20	0		CEADLM
C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ncccc1O	ZINC000579645836	366675974	/nfs/dbraw/zinc/67/59/74/366675974.db2.gz	DMTHMWGLOZZRMD-OAHLLOKOSA-N	-1	2	297.402	2.494	20	0		CEADLM
Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)on1	ZINC000120246674	365396310	/nfs/dbraw/zinc/39/63/10/365396310.db2.gz	SNUPQVLBSINRQR-STQMWFEESA-N	-1	2	295.383	2.057	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])cc2OC)C(=O)[C@H]1C	ZINC000634611683	368762104	/nfs/dbraw/zinc/76/21/04/368762104.db2.gz	ATQMACZZOAUBMG-QMMMGPOBSA-N	-1	2	276.292	2.142	20	0		CEADLM
CCC1=NN(c2ccc(CC(=O)[O-])cc2)C(=O)[C@@H]1C	ZINC000634633181	368786055	/nfs/dbraw/zinc/78/60/55/368786055.db2.gz	MXZRBVRZYTZZLP-SECBINFHSA-N	-1	2	260.293	2.062	20	0		CEADLM
O=C(Nc1nc(Cl)ccc1O)[C@H]1CCCc2cn[nH]c21	ZINC000373844023	374430770	/nfs/dbraw/zinc/43/07/70/374430770.db2.gz	XEPYYEGMEDSOLX-QMMMGPOBSA-N	-1	2	292.726	2.222	20	0		CEADLM
CC(C)(C)CC[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456939	395716366	/nfs/dbraw/zinc/71/63/66/395716366.db2.gz	OEGCBELDOPFRDU-SNVBAGLBSA-N	-1	2	280.324	2.471	20	0		CEADLM
CCCCn1c(=O)[nH]nc1SCCCc1c[nH+]cn1C	ZINC000581023460	322363799	/nfs/dbraw/zinc/36/37/99/322363799.db2.gz	ZYBXVMJNZSZSCG-UHFFFAOYSA-N	-1	2	295.412	2.242	20	0		CEADLM
CC(C)[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-]	ZINC000826710315	601388817	/nfs/dbraw/zinc/38/88/17/601388817.db2.gz	HNVHNOARVKBEPJ-SECBINFHSA-N	-1	2	289.690	2.024	20	0		CEADLM
O=C([O-])c1ccnc(-c2nc(=O)c3sccc3[nH]2)c1	ZINC000833334746	604972508	/nfs/dbraw/zinc/97/25/08/604972508.db2.gz	IVLLKUJKQSVGQR-UHFFFAOYSA-N	-1	2	273.273	2.157	20	0		CEADLM
C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3O)o2)CCO1	ZINC000932336182	622605291	/nfs/dbraw/zinc/60/52/91/622605291.db2.gz	KQTBITYUKSUAFL-LLVKDONJSA-N	-1	2	289.335	2.053	20	0		CEADLM
COc1cc(C)ccc1-c1ccc([P@@](=O)([O-])O)cc1	ZINC001242983224	812071630	/nfs/dbraw/zinc/07/16/30/812071630.db2.gz	LOMNVDJKDQRTKI-UHFFFAOYSA-N	-1	2	278.244	2.474	20	0		CEADLM
COc1cc(C)ccc1-c1ccc([P@](=O)([O-])O)cc1	ZINC001242983224	812071635	/nfs/dbraw/zinc/07/16/35/812071635.db2.gz	LOMNVDJKDQRTKI-UHFFFAOYSA-N	-1	2	278.244	2.474	20	0		CEADLM
C[N@H+](Cc1cc(O)ccc1Br)C1(CO)CC1	ZINC000668801145	539275440	/nfs/dbraw/zinc/27/54/40/539275440.db2.gz	MVUHRXBDTJYYTD-UHFFFAOYSA-N	-1	2	286.169	2.111	20	0		CEADLM
COCC[C@H]1COCC[N@@H+]1Cc1cc(O)ccc1Cl	ZINC000625442342	350500049	/nfs/dbraw/zinc/50/00/49/350500049.db2.gz	DPVMIWHNPFZIMS-LBPRGKRZSA-N	-1	2	285.771	2.283	20	0		CEADLM
Cc1n[nH]c(NC(=O)c2c(C)onc2-c2ccccc2)n1	ZINC000103254564	364635405	/nfs/dbraw/zinc/63/54/05/364635405.db2.gz	DECGLIQVXOBKHQ-UHFFFAOYSA-N	-1	2	283.291	2.329	20	0		CEADLM
CC(C)c1n[nH]c(=NCC2(C(=O)[O-])CCCC2)s1	ZINC000649401877	396142885	/nfs/dbraw/zinc/14/28/85/396142885.db2.gz	QOULUDACQPXQPT-UHFFFAOYSA-N	-1	2	269.370	2.140	20	0		CEADLM
Oc1cccc(C[NH2+]CCn2cc[nH+]c2)c1Br	ZINC000315781968	270333803	/nfs/dbraw/zinc/33/38/03/270333803.db2.gz	XBKCMQLJNJOHGN-UHFFFAOYSA-N	-1	2	296.168	2.141	20	0		CEADLM
C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)CO1	ZINC000459300102	290108985	/nfs/dbraw/zinc/10/89/85/290108985.db2.gz	UPERWGNUYFTPNM-CHWSQXEVSA-N	-1	2	299.374	2.458	20	0		CEADLM
CO[C@@H]1COCC[C@H]1Nc1cc([S-])cc(S)c1	ZINC001168196967	806403158	/nfs/dbraw/zinc/40/31/58/806403158.db2.gz	OJUZEFAMJYLDFQ-VXGBXAGGSA-N	-1	2	271.407	2.480	20	0		CEADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H]3CCCC3(F)F)C2)[nH]1	ZINC000579916639	366721412	/nfs/dbraw/zinc/72/14/12/366721412.db2.gz	USWKSHZTEJCUFB-VHSXEESVSA-N	-1	2	286.326	2.125	20	0		CEADLM
C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(O)c1Cl	ZINC000339272875	366696437	/nfs/dbraw/zinc/69/64/37/366696437.db2.gz	PUPOELALGJUYKC-GFCCVEGCSA-N	-1	2	298.814	2.246	20	0		CEADLM
Oc1ccc(F)c(C[N@@H+]2CCOCC3(CC3)C2)c1F	ZINC000334674618	364164155	/nfs/dbraw/zinc/16/41/55/364164155.db2.gz	IZURBVKBYCDGFZ-UHFFFAOYSA-N	-1	2	269.291	2.283	20	0		CEADLM
CN1CC[N@H+](Cc2ncccc2O)C[C@@H]1Cc1ccccc1	ZINC000582387426	366904810	/nfs/dbraw/zinc/90/48/10/366904810.db2.gz	WBNHZZHSJYDCQD-INIZCTEOSA-N	-1	2	297.402	2.146	20	0		CEADLM
C[C@@H](C(=O)Nc1ncccc1O)[N@@H+]1CCc2ccccc2C1	ZINC000180995924	368411038	/nfs/dbraw/zinc/41/10/38/368411038.db2.gz	JODVWJSRRCFADS-LBPRGKRZSA-N	-1	2	297.358	2.173	20	0		CEADLM
O=C(NC1(C2CCC2)CC1)c1cccc2[nH]nnc21	ZINC000652868807	414815528	/nfs/dbraw/zinc/81/55/28/414815528.db2.gz	SMLQUHNDNDSNBT-UHFFFAOYSA-N	-1	2	256.309	2.020	20	0		CEADLM
O=c1[nH]nc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)[nH]1	ZINC000538149325	298224859	/nfs/dbraw/zinc/22/48/59/298224859.db2.gz	URMFFDFGFIMUBZ-QGZVFWFLSA-N	-1	2	298.390	2.380	20	0		CEADLM
O=C([O-])c1ccnc(NC(=O)c2c(O)cc(F)cc2F)c1	ZINC000740245683	574950277	/nfs/dbraw/zinc/95/02/77/574950277.db2.gz	YRYKSLGABUBGGL-UHFFFAOYSA-N	-1	2	294.213	2.016	20	0		CEADLM
O=C([O-])Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000230492040	600028245	/nfs/dbraw/zinc/02/82/45/600028245.db2.gz	XPFVTRAMPHDGKL-UHFFFAOYSA-N	-1	2	299.333	2.034	20	0		CEADLM
CC(C)(Nc1ccc([P@@](=O)([O-])O)cc1)c1ccncc1	ZINC001171518600	815191481	/nfs/dbraw/zinc/19/14/81/815191481.db2.gz	AZADNWWILDHGLQ-UHFFFAOYSA-N	-1	2	292.275	2.232	20	0		CEADLM
CC(C)(Nc1ccc([P@](=O)([O-])O)cc1)c1ccncc1	ZINC001171518600	815191484	/nfs/dbraw/zinc/19/14/84/815191484.db2.gz	AZADNWWILDHGLQ-UHFFFAOYSA-N	-1	2	292.275	2.232	20	0		CEADLM
C[C@@H]([NH2+]C1CC1)c1nc(-c2ccc(O)c(F)c2)no1	ZINC000383052279	813093396	/nfs/dbraw/zinc/09/33/96/813093396.db2.gz	NLIDHKQNRZXQKN-SSDOTTSWSA-N	-1	2	263.272	2.394	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)CC[C@H]1O	ZINC001144542150	814104938	/nfs/dbraw/zinc/10/49/38/814104938.db2.gz	QECMOIZMLMGIJS-LKFCYVNXSA-N	-1	2	271.307	2.263	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@H+]2CCS[C@@H](C(C)C)C2)n1	ZINC000121591738	365590632	/nfs/dbraw/zinc/59/06/32/365590632.db2.gz	UYICDZLGQDVAAO-GFCCVEGCSA-N	-1	2	281.425	2.318	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCS[C@H](CC)C2)n1	ZINC000121596278	365591313	/nfs/dbraw/zinc/59/13/13/365591313.db2.gz	SEGQZAGJIAMQHK-LLVKDONJSA-N	-1	2	267.398	2.072	20	0		CEADLM
O=C(NC12CCC(CC1)CC2)c1cccc2[nH]nnc21	ZINC000581710206	366813167	/nfs/dbraw/zinc/81/31/67/366813167.db2.gz	CUVLFBKCBYVVID-UHFFFAOYSA-N	-1	2	270.336	2.411	20	0		CEADLM
CCOc1ccccc1CNC(=O)c1cccc2[nH]nnc21	ZINC000182736102	368584593	/nfs/dbraw/zinc/58/45/93/368584593.db2.gz	RUKRBCJAWVRVSF-UHFFFAOYSA-N	-1	2	296.330	2.287	20	0		CEADLM
CCCCOc1ccc(C(=O)Nc2nc(C)n[nH]2)c(O)c1	ZINC000190295407	369611540	/nfs/dbraw/zinc/61/15/40/369611540.db2.gz	CHUWIRRAQKOPEN-UHFFFAOYSA-N	-1	2	290.323	2.250	20	0		CEADLM
O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1O	ZINC000821509105	598184722	/nfs/dbraw/zinc/18/47/22/598184722.db2.gz	YEIJTBIYBSPMLU-JTQLQIEISA-N	-1	2	283.711	2.125	20	0		CEADLM
O=C(NCCCC1CCC1)c1cccc2[nH]nnc21	ZINC000618614856	348998761	/nfs/dbraw/zinc/99/87/61/348998761.db2.gz	QPLODGFCBVFVBA-UHFFFAOYSA-N	-1	2	258.325	2.268	20	0		CEADLM
C[N@H+](CCN1CCCC1=O)Cc1cc(O)ccc1Cl	ZINC000625166487	350419446	/nfs/dbraw/zinc/41/94/46/350419446.db2.gz	RPDGYVXFULEVDS-UHFFFAOYSA-N	-1	2	282.771	2.100	20	0		CEADLM
Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)n1	ZINC000678282016	541110164	/nfs/dbraw/zinc/11/01/64/541110164.db2.gz	VDOMRUQCKNIRCF-CABZTGNLSA-N	-1	2	290.285	2.247	20	0		CEADLM
O=C(NCCCc1cccc(F)c1)c1cccc2[nH]nnc21	ZINC000187845023	369235303	/nfs/dbraw/zinc/23/53/03/369235303.db2.gz	HYXSWJAYMAESMY-UHFFFAOYSA-N	-1	2	298.321	2.460	20	0		CEADLM
O=C(N[C@H]1CC12CCCCC2)c1cccc2[nH]nnc21	ZINC000188688927	369395939	/nfs/dbraw/zinc/39/59/39/369395939.db2.gz	CAQXAGMTSSFATG-LBPRGKRZSA-N	-1	2	270.336	2.411	20	0		CEADLM
CCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000377483309	374862067	/nfs/dbraw/zinc/86/20/67/374862067.db2.gz	BLUSEKGQVGOAIE-LLVKDONJSA-N	-1	2	252.362	2.270	20	0		CEADLM
Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)CCC(F)(F)F)n1	ZINC000565696574	395480959	/nfs/dbraw/zinc/48/09/59/395480959.db2.gz	JGBFRMPRMRDZLS-QMMMGPOBSA-N	-1	2	263.263	2.436	20	0		CEADLM
Cc1csc(C2CC[NH+](Cc3n[nH]c(=O)s3)CC2)n1	ZINC000375399317	157090584	/nfs/dbraw/zinc/09/05/84/157090584.db2.gz	HGQMIZYAEJERCS-UHFFFAOYSA-N	-1	2	296.421	2.388	20	0		CEADLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)s1	ZINC000035426808	172194304	/nfs/dbraw/zinc/19/43/04/172194304.db2.gz	KQOXSKDXDGGWLW-UHFFFAOYSA-N	-1	2	283.330	2.247	20	0		CEADLM
Cc1ccccc1-c1nsc(N[C@@H](C)C[NH+](C)C)n1	ZINC000528022531	313226754	/nfs/dbraw/zinc/22/67/54/313226754.db2.gz	ZSMAMEPKTZZIRU-NSHDSACASA-N	-1	2	276.409	2.297	20	0		CEADLM
CC(C)(C)[C@@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-]	ZINC000833422567	605248966	/nfs/dbraw/zinc/24/89/66/605248966.db2.gz	GCVUCWYCFLDYEK-JTQLQIEISA-N	-1	2	285.727	2.275	20	0		CEADLM
Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc3c(c1)COC3)C2	ZINC000931315482	628516900	/nfs/dbraw/zinc/51/69/00/628516900.db2.gz	SZBQZIBBXUFULW-UHFFFAOYSA-N	-1	2	283.331	2.037	20	0		CEADLM
C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2O)C[N@@H+]1C1CC1	ZINC000775771850	646990088	/nfs/dbraw/zinc/99/00/88/646990088.db2.gz	XKNZNLJFVGGROU-NXEZZACHSA-N	-1	2	294.782	2.401	20	0		CEADLM
C[C@](NC(=O)NCC12CCC(CC1)C2)(C(=O)[O-])C1CC1	ZINC000780696558	647459854	/nfs/dbraw/zinc/45/98/54/647459854.db2.gz	BDONACGEJRJXJD-CIQACWJJSA-N	-1	2	280.368	2.119	20	0		CEADLM
COc1cc2c(cc1OC)C[NH+](Cc1ccncc1O)C2	ZINC001140279391	816224929	/nfs/dbraw/zinc/22/49/29/816224929.db2.gz	OEQGDHAFOMMLEA-UHFFFAOYSA-N	-1	2	286.331	2.320	20	0		CEADLM
OCC[C@@H]1CCC[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893940	816404623	/nfs/dbraw/zinc/40/46/23/816404623.db2.gz	MBLJQCQJEGJSLK-JTQLQIEISA-N	-1	2	271.307	2.265	20	0		CEADLM
C[N@H+]1CCC[C@H](CNc2nc(C3CCCC3)ns2)C1	ZINC000577718511	366385611	/nfs/dbraw/zinc/38/56/11/366385611.db2.gz	MDKHYUYBDJUOHK-LLVKDONJSA-N	-1	2	280.441	2.371	20	0		CEADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)[nH]1	ZINC000676989644	540971680	/nfs/dbraw/zinc/97/16/80/540971680.db2.gz	NLVYJFAFWPFDHY-OCCSQVGLSA-N	-1	2	284.363	2.377	20	0		CEADLM
NC(=O)c1csc(=NCC2(C3CCC3)CCC2)[nH]1	ZINC000572222982	299353448	/nfs/dbraw/zinc/35/34/48/299353448.db2.gz	NTWSAZZEYNGRLC-UHFFFAOYSA-N	-1	2	265.382	2.046	20	0		CEADLM
O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCc2[nH+]ccn2C1	ZINC000682517498	541674415	/nfs/dbraw/zinc/67/44/15/541674415.db2.gz	ZYHNDZGVEYXMRZ-SECBINFHSA-N	-1	2	291.738	2.443	20	0		CEADLM
Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1C(=O)[O-]	ZINC000194484733	370043560	/nfs/dbraw/zinc/04/35/60/370043560.db2.gz	SZPVOLDVEZKGRM-UHFFFAOYSA-N	-1	2	296.286	2.217	20	0		CEADLM
O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc[nH]1	ZINC000684809174	542069831	/nfs/dbraw/zinc/06/98/31/542069831.db2.gz	MWVBOBDATZBSMC-UHFFFAOYSA-N	-1	2	289.245	2.330	20	0		CEADLM
Cc1ccccc1CN(C)C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000335242404	208009319	/nfs/dbraw/zinc/00/93/19/208009319.db2.gz	RZYWYLRKVKLZGQ-UHFFFAOYSA-N	-1	2	284.363	2.488	20	0		CEADLM
C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cccc2ccccc21	ZINC000262606332	131240143	/nfs/dbraw/zinc/24/01/43/131240143.db2.gz	ASTQPHWGIVDJEM-NSHDSACASA-N	-1	2	286.331	2.183	20	0		CEADLM
CC(C)(CCC(=O)[O-])NC(=O)c1cc(F)c(O)c(F)c1	ZINC000263582335	131299832	/nfs/dbraw/zinc/29/98/32/131299832.db2.gz	YLSGBNZYQSTSDU-UHFFFAOYSA-N	-1	2	287.262	2.044	20	0		CEADLM
CC(C)C[C@H](CN=c1[nH]nc(C2CC2)s1)CC(=O)[O-]	ZINC000652535544	401537787	/nfs/dbraw/zinc/53/77/87/401537787.db2.gz	OOXSAIXMEZHEQE-VIFPVBQESA-N	-1	2	283.397	2.386	20	0		CEADLM
C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1	ZINC000180170242	165300658	/nfs/dbraw/zinc/30/06/58/165300658.db2.gz	HQVJKZHFVCTPIC-MNOVXSKESA-N	-1	2	272.270	2.110	20	0		CEADLM
O=c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc(C2CC2)[nH]1	ZINC000656433079	415695061	/nfs/dbraw/zinc/69/50/61/415695061.db2.gz	CRAFBQNQMRSKQC-AWEZNQCLSA-N	-1	2	299.378	2.093	20	0		CEADLM
CCC[N@H+](Cc1ccon1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000736480939	574790255	/nfs/dbraw/zinc/79/02/55/574790255.db2.gz	PTDZOOFQEAUDJQ-UHFFFAOYSA-N	-1	2	298.350	2.267	20	0		CEADLM
CCC[N@@H+](Cc1ccon1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000736480939	574790257	/nfs/dbraw/zinc/79/02/57/574790257.db2.gz	PTDZOOFQEAUDJQ-UHFFFAOYSA-N	-1	2	298.350	2.267	20	0		CEADLM
O=C([O-])C1CCC(NC(=O)c2cccc(Cl)c2O)CC1	ZINC000821411140	605246343	/nfs/dbraw/zinc/24/63/43/605246343.db2.gz	YTGQLPNZHSPISO-UHFFFAOYSA-N	-1	2	297.738	2.419	20	0		CEADLM
Oc1cnccc1C[N@H+]1CCc2nc(Cl)ccc2C1	ZINC001140278758	816224157	/nfs/dbraw/zinc/22/41/57/816224157.db2.gz	VTBMDHMCUYBRNI-UHFFFAOYSA-N	-1	2	275.739	2.394	20	0		CEADLM
CSCC1(CCNC(=O)c2cccc3[nH]nnc32)CC1	ZINC000597985587	346263287	/nfs/dbraw/zinc/26/32/87/346263287.db2.gz	AKOMMEHSVOKZKT-UHFFFAOYSA-N	-1	2	290.392	2.221	20	0		CEADLM
CCc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c(O)c1	ZINC000682490523	541670606	/nfs/dbraw/zinc/67/06/06/541670606.db2.gz	UGGYSZONTXKETL-UHFFFAOYSA-N	-1	2	298.342	2.253	20	0		CEADLM
CC[C@@H]1C[N@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@H](C)O1	ZINC000192585558	369831200	/nfs/dbraw/zinc/83/12/00/369831200.db2.gz	LXOJYZUVHAHKDN-SDDRHHMPSA-N	-1	2	265.357	2.051	20	0		CEADLM
Cc1ccsc1CCNC(=O)c1cccc2[nH]nnc21	ZINC000526119961	313157107	/nfs/dbraw/zinc/15/71/07/313157107.db2.gz	HDAIXBBNHDIYLM-UHFFFAOYSA-N	-1	2	286.360	2.300	20	0		CEADLM
O=C(NCc1cccc2cc[nH]c21)c1cccc2[nH]nnc21	ZINC000527048107	313164268	/nfs/dbraw/zinc/16/42/68/313164268.db2.gz	SLLJUGBEUJGGBM-UHFFFAOYSA-N	-1	2	291.314	2.369	20	0		CEADLM
O=C([O-])CCCCOC(=O)c1cc(-c2ccco2)n[nH]1	ZINC000738574554	574868222	/nfs/dbraw/zinc/86/82/22/574868222.db2.gz	FTNUKVRKKHSHMA-UHFFFAOYSA-N	-1	2	278.264	2.081	20	0		CEADLM
CN(CCCC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1O	ZINC000830768291	601386687	/nfs/dbraw/zinc/38/66/87/601386687.db2.gz	JIGADLHHTJJKBB-UHFFFAOYSA-N	-1	2	289.690	2.122	20	0		CEADLM
Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(F)(F)CC2)n1	ZINC000796550058	629929285	/nfs/dbraw/zinc/92/92/85/629929285.db2.gz	LFRKJOVXPNDHFE-SECBINFHSA-N	-1	2	257.284	2.283	20	0		CEADLM
O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NOCC1CCC1	ZINC000869305316	648407850	/nfs/dbraw/zinc/40/78/50/648407850.db2.gz	GVPAVSOELBNLDC-UHFFFAOYSA-N	-1	2	285.347	2.263	20	0		CEADLM
Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)cc(C)n1	ZINC001241995830	811182389	/nfs/dbraw/zinc/18/23/89/811182389.db2.gz	SLRSCOMLQGRWRC-UHFFFAOYSA-N	-1	2	263.233	2.168	20	0		CEADLM
Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)cc(C)n1	ZINC001241995830	811182395	/nfs/dbraw/zinc/18/23/95/811182395.db2.gz	SLRSCOMLQGRWRC-UHFFFAOYSA-N	-1	2	263.233	2.168	20	0		CEADLM
COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893633	816403360	/nfs/dbraw/zinc/40/33/60/816403360.db2.gz	WRYQGCNGABZGEB-KOLCDFICSA-N	-1	2	299.317	2.301	20	0		CEADLM
O=C1CCC2(CC[NH+](Cc3ccc(O)c(F)c3F)CC2)O1	ZINC001140893936	816404019	/nfs/dbraw/zinc/40/40/19/816404019.db2.gz	LZTCEQBXBLAWQK-UHFFFAOYSA-N	-1	2	297.301	2.342	20	0		CEADLM
CC(C)(C)c1nc(=NCC2(C(=O)[O-])CCCCC2)[nH]o1	ZINC000583027453	366991935	/nfs/dbraw/zinc/99/19/35/366991935.db2.gz	OWYNSWPIPFOKME-UHFFFAOYSA-N	-1	2	281.356	2.236	20	0		CEADLM
Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)on1	ZINC000175254285	368118774	/nfs/dbraw/zinc/11/87/74/368118774.db2.gz	MSVZZHDGGHHEIB-UWVGGRQHSA-N	-1	2	294.380	2.426	20	0		CEADLM
CC(C)(C)CC[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000416441782	376071799	/nfs/dbraw/zinc/07/17/99/376071799.db2.gz	RUEADSXHLSEREH-SNVBAGLBSA-N	-1	2	280.324	2.471	20	0		CEADLM
C[NH+](C)Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)no1	ZINC000355603473	394474552	/nfs/dbraw/zinc/47/45/52/394474552.db2.gz	YPRBOLAREOMFRG-UHFFFAOYSA-N	-1	2	299.252	2.406	20	0		CEADLM
CC(C)(C)c1n[nH]c(=NCCCCCC(=O)[O-])s1	ZINC000416427706	395061210	/nfs/dbraw/zinc/06/12/10/395061210.db2.gz	QODOEJOEVUJSCO-UHFFFAOYSA-N	-1	2	271.386	2.314	20	0		CEADLM
CCC(CC)(CNc1nc(CC(C)C)ns1)C(=O)[O-]	ZINC000424369027	271051745	/nfs/dbraw/zinc/05/17/45/271051745.db2.gz	AWEZUYBZUPNFOK-UHFFFAOYSA-N	-1	2	285.413	2.461	20	0		CEADLM
CC(C)c1nsc(NCC[N@@H+]2CCCC2(C)C)n1	ZINC000581291663	322383795	/nfs/dbraw/zinc/38/37/95/322383795.db2.gz	ZMBIFJAQYHFKQS-UHFFFAOYSA-N	-1	2	268.430	2.370	20	0		CEADLM
COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000093887632	628728069	/nfs/dbraw/zinc/72/80/69/628728069.db2.gz	IFMWNNFKZSZKHK-CYBMUJFWSA-N	-1	2	287.718	2.133	20	0		CEADLM
C[N@@H+]1CCN(C(=O)c2c(O)cccc2Cl)CC1(C)C	ZINC000848033401	641876661	/nfs/dbraw/zinc/87/66/61/641876661.db2.gz	NTIFENBSBWIRTB-UHFFFAOYSA-N	-1	2	282.771	2.212	20	0		CEADLM
Cc1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1	ZINC000171963045	367649281	/nfs/dbraw/zinc/64/92/81/367649281.db2.gz	SDGUSMQNEHUTQZ-UHFFFAOYSA-N	-1	2	262.334	2.499	20	0		CEADLM
Cc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C1CC1	ZINC000634630607	368782216	/nfs/dbraw/zinc/78/22/16/368782216.db2.gz	ADQJSDJYHCJUCI-GFCCVEGCSA-N	-1	2	276.267	2.273	20	0		CEADLM
CC[C@@H](NC(=O)c1cccc2[nH]nnc21)c1c(C)noc1C	ZINC000188641556	369387055	/nfs/dbraw/zinc/38/70/55/369387055.db2.gz	ZCNBIVZCFISOLT-LLVKDONJSA-N	-1	2	299.334	2.444	20	0		CEADLM
C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)O2	ZINC000366150035	372992490	/nfs/dbraw/zinc/99/24/90/372992490.db2.gz	ARSLWDCLQDWFHH-BFQNTYOBSA-N	-1	2	295.354	2.300	20	0		CEADLM
CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1cc(C)no1	ZINC000270988188	373049870	/nfs/dbraw/zinc/04/98/70/373049870.db2.gz	HNPDVVNMBOCENV-LBPRGKRZSA-N	-1	2	288.351	2.227	20	0		CEADLM
CC(C)[N@H+]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)CC1	ZINC000334455271	380435606	/nfs/dbraw/zinc/43/56/06/380435606.db2.gz	NXZKXOKRCRNUQZ-UHFFFAOYSA-N	-1	2	298.333	2.227	20	0		CEADLM
CC(C)N(CCC(=O)[O-])C(=O)c1cccc(Cl)c1O	ZINC000833496856	605248118	/nfs/dbraw/zinc/24/81/18/605248118.db2.gz	JKKCTHWTPGSYFE-UHFFFAOYSA-N	-1	2	285.727	2.371	20	0		CEADLM
O=C([O-])c1cc(Nc2cccn3cc[nH+]c23)cc(C(=O)[O-])c1	ZINC001176238107	816373295	/nfs/dbraw/zinc/37/32/95/816373295.db2.gz	JPGGFGFWGYWUBW-UHFFFAOYSA-N	-1	2	297.270	2.474	20	0		CEADLM
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)C1(C)C	ZINC000673916412	540707370	/nfs/dbraw/zinc/70/73/70/540707370.db2.gz	BFAQKFUMOYCGJD-MFKMUULPSA-N	-1	2	260.337	2.386	20	0		CEADLM
Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)on1	ZINC000175254338	368117623	/nfs/dbraw/zinc/11/76/23/368117623.db2.gz	MSVZZHDGGHHEIB-VHSXEESVSA-N	-1	2	294.380	2.426	20	0		CEADLM
CN1CC[N@@H+](Cc2ncccc2O)[C@@H](c2ccccc2)C1	ZINC000685407129	542133363	/nfs/dbraw/zinc/13/33/63/542133363.db2.gz	MYDYTLANJMUIGY-MRXNPFEDSA-N	-1	2	283.375	2.276	20	0		CEADLM
O=C([O-])c1ccccc1-c1cccc(-c2nc(=O)o[nH]2)c1	ZINC000563813065	377296076	/nfs/dbraw/zinc/29/60/76/377296076.db2.gz	JEZKUAVCUZADBH-UHFFFAOYSA-N	-1	2	282.255	2.395	20	0		CEADLM
Cc1cccc(NS(=O)(=O)c2ccoc2)c1C(=O)[O-]	ZINC000349110256	154311848	/nfs/dbraw/zinc/31/18/48/154311848.db2.gz	SDHQQPDQDJSWLZ-UHFFFAOYSA-N	-1	2	281.289	2.087	20	0		CEADLM
CC(C)C[C@H](CN=c1[nH]nc(C(C)C)s1)C(=O)[O-]	ZINC000424368859	271051416	/nfs/dbraw/zinc/05/14/16/271051416.db2.gz	AQLFBWMCAUNKTG-SECBINFHSA-N	-1	2	271.386	2.242	20	0		CEADLM
O=C([O-])CCCCCNC(=O)c1c(O)cc(F)cc1F	ZINC000819401280	597237547	/nfs/dbraw/zinc/23/75/47/597237547.db2.gz	UMNHMJUHQVMUBM-UHFFFAOYSA-N	-1	2	287.262	2.045	20	0		CEADLM
CC(C)(C)[C@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-]	ZINC000833422568	605250988	/nfs/dbraw/zinc/25/09/88/605250988.db2.gz	GCVUCWYCFLDYEK-SNVBAGLBSA-N	-1	2	285.727	2.275	20	0		CEADLM
OCCC[N@H+](Cc1c(F)ccc(O)c1F)C1CC1	ZINC000816510108	633403846	/nfs/dbraw/zinc/40/38/46/633403846.db2.gz	MSQWRDDLLKOKRD-UHFFFAOYSA-N	-1	2	257.280	2.017	20	0		CEADLM
O=C([O-])[C@@H](C(=O)NOCc1ccccc1)C1CCCC1	ZINC000852952899	643606058	/nfs/dbraw/zinc/60/60/58/643606058.db2.gz	WOBGYBKTSCJEQO-CYBMUJFWSA-N	-1	2	277.320	2.125	20	0		CEADLM
C[C@@H]1C[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CCO1	ZINC001234336242	807643527	/nfs/dbraw/zinc/64/35/27/807643527.db2.gz	QJJNJTZPHJEGMI-SKDRFNHKSA-N	-1	2	288.236	2.104	20	0		CEADLM
C[C@@H]1C[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CCO1	ZINC001234336242	807643531	/nfs/dbraw/zinc/64/35/31/807643531.db2.gz	QJJNJTZPHJEGMI-SKDRFNHKSA-N	-1	2	288.236	2.104	20	0		CEADLM
Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccoc2)cc1F	ZINC000671644895	540474632	/nfs/dbraw/zinc/47/46/32/540474632.db2.gz	PNCWOEMVMVTNEI-UHFFFAOYSA-N	-1	2	299.279	2.226	20	0		CEADLM
CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc[nH+]cc2O)C1(C)C	ZINC000673916413	540707487	/nfs/dbraw/zinc/70/74/87/540707487.db2.gz	BFAQKFUMOYCGJD-ZWNOBZJWSA-N	-1	2	260.337	2.386	20	0		CEADLM
O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Cl)ccc1O	ZINC000335813281	365016792	/nfs/dbraw/zinc/01/67/92/365016792.db2.gz	FCFVZPDPGFNLFT-SECBINFHSA-N	-1	2	291.738	2.056	20	0		CEADLM
O=c1cc(C[N@H+]2CCc3ncsc3C2)nc(C2CC2)[nH]1	ZINC000459448269	290151720	/nfs/dbraw/zinc/15/17/20/290151720.db2.gz	SEINPSGEHOHRMR-UHFFFAOYSA-N	-1	2	288.376	2.074	20	0		CEADLM
CC(C)c1n[nH]c(=NCCc2cccc(C(=O)[O-])c2)s1	ZINC000564800210	298847957	/nfs/dbraw/zinc/84/79/57/298847957.db2.gz	DISPRGOGCZUSRO-UHFFFAOYSA-N	-1	2	291.376	2.436	20	0		CEADLM
C[C@H](N=c1nc(C(C)(C)C)o[nH]1)c1ncc(C(=O)[O-])s1	ZINC000581372549	322391460	/nfs/dbraw/zinc/39/14/60/322391460.db2.gz	NXVTVSQNNMMEKW-LURJTMIESA-N	-1	2	296.352	2.117	20	0		CEADLM
O=C([O-])c1csc(NS(=O)(=O)c2ccccc2)c1	ZINC000833343396	602118306	/nfs/dbraw/zinc/11/83/06/602118306.db2.gz	CSARASVVUBJUCT-UHFFFAOYSA-N	-1	2	283.330	2.247	20	0		CEADLM
OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(O)c2F)C1	ZINC001233049328	807362282	/nfs/dbraw/zinc/36/22/82/807362282.db2.gz	BZVZXLZNQSZICK-LBPRGKRZSA-N	-1	2	293.260	2.278	20	0		CEADLM
COc1ccc2c(c1)C[N@H+](Cc1ccncc1O)C2	ZINC001140278767	816223582	/nfs/dbraw/zinc/22/35/82/816223582.db2.gz	WHMAEUBZQLHEFX-UHFFFAOYSA-N	-1	2	256.305	2.312	20	0		CEADLM
OCC1(Nc2ncnc3c(-c4ccccc4)nsc32)CC1	ZINC000631178708	352002554	/nfs/dbraw/zinc/00/25/54/352002554.db2.gz	KRTFZTLVZSESER-UHFFFAOYSA-N	-1	2	298.371	2.112	20	0		CEADLM
C[N@@H+](Cc1c(F)ccc(O)c1F)C[C@@H]1CCC[C@H]1O	ZINC000294423087	199034024	/nfs/dbraw/zinc/03/40/24/199034024.db2.gz	WXILJHKDAADUSM-JOYOIKCWSA-N	-1	2	271.307	2.263	20	0		CEADLM
CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1n[nH]c(=O)[nH]1	ZINC000678715173	541165717	/nfs/dbraw/zinc/16/57/17/541165717.db2.gz	DKHNSAYODAXZEV-UHFFFAOYSA-N	-1	2	292.358	2.350	20	0		CEADLM
CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cc(O)cc(F)c1	ZINC000279400483	374861251	/nfs/dbraw/zinc/86/12/51/374861251.db2.gz	KZDYOOKURLFDDD-UHFFFAOYSA-N	-1	2	296.386	2.074	20	0		CEADLM
Cc1cccc(O)c1NC(=O)[C@H]1CCn2cc[nH+]c2C1	ZINC000334459876	380441734	/nfs/dbraw/zinc/44/17/34/380441734.db2.gz	MLZLNFKPUBCBHC-NSHDSACASA-N	-1	2	271.320	2.098	20	0		CEADLM
O=C(N[C@H](C1CC1)C(F)(F)F)c1cccc2[nH]nnc21	ZINC000519739763	395215944	/nfs/dbraw/zinc/21/59/44/395215944.db2.gz	QFYJNPVQLFUSRA-SNVBAGLBSA-N	-1	2	284.241	2.029	20	0		CEADLM
CC[C@H](N=c1nc(-c2cc(F)cc(F)c2)[nH]s1)C(=O)[O-]	ZINC000647458466	395716778	/nfs/dbraw/zinc/71/67/78/395716778.db2.gz	JIWCZSKGOSDKGB-VIFPVBQESA-N	-1	2	299.302	2.180	20	0		CEADLM
O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(F)c(O)c(F)c1	ZINC000653319325	414986002	/nfs/dbraw/zinc/98/60/02/414986002.db2.gz	MHIWLWAKKIXLGY-VIFPVBQESA-N	-1	2	299.273	2.140	20	0		CEADLM
Cn1nccc1C[NH2+]Cc1cccc(O)c1Br	ZINC000315787706	270334103	/nfs/dbraw/zinc/33/41/03/270334103.db2.gz	YFZOGNABYADLJS-UHFFFAOYSA-N	-1	2	296.168	2.178	20	0		CEADLM
O=c1[nH]nc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)[nH]1	ZINC000538149324	298224817	/nfs/dbraw/zinc/22/48/17/298224817.db2.gz	URMFFDFGFIMUBZ-KRWDZBQOSA-N	-1	2	298.390	2.380	20	0		CEADLM
C[C@@H](N=c1nc(C(C)(C)C)o[nH]1)c1ncc(C(=O)[O-])s1	ZINC000581372550	322391370	/nfs/dbraw/zinc/39/13/70/322391370.db2.gz	NXVTVSQNNMMEKW-ZCFIWIBFSA-N	-1	2	296.352	2.117	20	0		CEADLM
Cc1c(NC(=O)c2ccc3[nH]nnc3c2)cccc1C(=O)[O-]	ZINC000315041421	538818132	/nfs/dbraw/zinc/81/81/32/538818132.db2.gz	OCXWWQSMGIMONB-UHFFFAOYSA-N	-1	2	296.286	2.217	20	0		CEADLM
O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1	ZINC000821515686	598184590	/nfs/dbraw/zinc/18/45/90/598184590.db2.gz	MAUIYWSRIZALOQ-SECBINFHSA-N	-1	2	297.738	2.373	20	0		CEADLM
CCCCC(=O)[C@H](C)Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001169550923	811562300	/nfs/dbraw/zinc/56/23/00/811562300.db2.gz	KMGZFOWFYVFLHL-JTQLQIEISA-N	-1	2	285.280	2.049	20	0		CEADLM
CCCCC(=O)[C@H](C)Nc1ccc([P@](=O)([O-])O)cc1	ZINC001169550923	811562306	/nfs/dbraw/zinc/56/23/06/811562306.db2.gz	KMGZFOWFYVFLHL-JTQLQIEISA-N	-1	2	285.280	2.049	20	0		CEADLM
CC1(C)CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1	ZINC000127136265	365734236	/nfs/dbraw/zinc/73/42/36/365734236.db2.gz	SPKGZPKGMUEZEH-UHFFFAOYSA-N	-1	2	274.368	2.035	20	0		CEADLM
Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)c(O)c1C	ZINC000145912086	344409612	/nfs/dbraw/zinc/40/96/12/344409612.db2.gz	ZIZWGLDIGBHYQX-UHFFFAOYSA-N	-1	2	287.363	2.416	20	0		CEADLM
C[C@@H](CCc1cccn1C)NC(=O)c1cccc2[nH]nnc21	ZINC000182784862	368589470	/nfs/dbraw/zinc/58/94/70/368589470.db2.gz	UMQNXSUGXZVBNU-NSHDSACASA-N	-1	2	297.362	2.048	20	0		CEADLM
CC(C)C[C@H](CNc1ccc(C(=O)[O-])c[nH+]1)CC(=O)[O-]	ZINC000662894828	414793256	/nfs/dbraw/zinc/79/32/56/414793256.db2.gz	GRHAERQQDQQFMD-JTQLQIEISA-N	-1	2	280.324	2.329	20	0		CEADLM
O=c1[nH]nc([C@H]2CCC[N@H+](CCCC3CCC3)C2)[nH]1	ZINC000660559288	414876235	/nfs/dbraw/zinc/87/62/35/414876235.db2.gz	WVVZAUHYQJGHNX-LBPRGKRZSA-N	-1	2	264.373	2.270	20	0		CEADLM
[NH3+]C1(c2noc(-c3cc(Cl)ccc3[O-])n2)CC1	ZINC000905323994	636221223	/nfs/dbraw/zinc/22/12/23/636221223.db2.gz	JTVLWHFJNZRKGY-UHFFFAOYSA-N	-1	2	251.673	2.043	20	0		CEADLM
C[C@H](Nc1ccc([P@@](=O)([O-])O)cc1)c1ccc(F)cn1	ZINC001167485999	802928266	/nfs/dbraw/zinc/92/82/66/802928266.db2.gz	JDTGFCCORPIRIZ-VIFPVBQESA-N	-1	2	296.238	2.197	20	0		CEADLM
C[C@H](Nc1ccc([P@](=O)([O-])O)cc1)c1ccc(F)cn1	ZINC001167485999	802928271	/nfs/dbraw/zinc/92/82/71/802928271.db2.gz	JDTGFCCORPIRIZ-VIFPVBQESA-N	-1	2	296.238	2.197	20	0		CEADLM
C[NH2+]C(C)(C)CN=c1nc(-c2cccc(C)c2)[nH]s1	ZINC000631178463	352002340	/nfs/dbraw/zinc/00/23/40/352002340.db2.gz	YGMLDXRFAKOFLF-UHFFFAOYSA-N	-1	2	276.409	2.345	20	0		CEADLM
CC(C)C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1	ZINC000119133773	365222101	/nfs/dbraw/zinc/22/21/01/365222101.db2.gz	PLRHNFJBBOHVBU-CYBMUJFWSA-N	-1	2	288.395	2.281	20	0		CEADLM
O=C1N=NC(C[NH+]2CCC(F)(c3cccnc3)CC2)S1	ZINC000375349986	157084120	/nfs/dbraw/zinc/08/41/20/157084120.db2.gz	RNXCSVZXXYJJGN-UHFFFAOYSA-N	-1	2	294.355	2.100	20	0		CEADLM
O=C([O-])NCCC(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000834228529	605691992	/nfs/dbraw/zinc/69/19/92/605691992.db2.gz	LBFMQKRHPVMROX-UHFFFAOYSA-N	-1	2	293.106	2.295	20	0		CEADLM
COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000093887631	628728205	/nfs/dbraw/zinc/72/82/05/628728205.db2.gz	IFMWNNFKZSZKHK-ZDUSSCGKSA-N	-1	2	287.718	2.133	20	0		CEADLM
CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cn[nH]c2)c1O	ZINC000085825588	642732041	/nfs/dbraw/zinc/73/20/41/642732041.db2.gz	MHCGDSIHJYXFOM-UHFFFAOYSA-N	-1	2	277.299	2.089	20	0		CEADLM
CN1C[C@H](CNc2cc([S-])cc(S)c2)CC1=O	ZINC001168727359	809160650	/nfs/dbraw/zinc/16/06/50/809160650.db2.gz	RPWOMIOJVJHUMF-QMMMGPOBSA-N	-1	2	268.407	2.154	20	0		CEADLM
Cc1cc(NC(=O)c2cccc3n[nH]nc32)cn2cc[nH+]c12	ZINC000582439234	366912200	/nfs/dbraw/zinc/91/22/00/366912200.db2.gz	XSZUMNKYANIXFW-UHFFFAOYSA-N	-1	2	292.302	2.166	20	0		CEADLM
CC[C@H]1C[N@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@H](C)O1	ZINC000192585570	369831033	/nfs/dbraw/zinc/83/10/33/369831033.db2.gz	LXOJYZUVHAHKDN-SRVKXCTJSA-N	-1	2	265.357	2.051	20	0		CEADLM
C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)ccc1Cl	ZINC000235495019	370567209	/nfs/dbraw/zinc/56/72/09/370567209.db2.gz	KWVKXSIIFPKIRH-SECBINFHSA-N	-1	2	279.727	2.061	20	0		CEADLM
O=C(NCCCc1ccccc1F)c1cccc2[nH]nnc21	ZINC000527032261	379723924	/nfs/dbraw/zinc/72/39/24/379723924.db2.gz	FVNCVTHZXXCDPV-UHFFFAOYSA-N	-1	2	298.321	2.460	20	0		CEADLM
Cc1cc(C)nc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1	ZINC000334365726	380308914	/nfs/dbraw/zinc/30/89/14/380308914.db2.gz	OPTDNFSNGDEYLX-MRVPVSSYSA-N	-1	2	287.241	2.076	20	0		CEADLM
Cc1ccc(CCNc2ccc(-c3nn[nH]n3)cc2)c[nH+]1	ZINC000737336486	574829279	/nfs/dbraw/zinc/82/92/79/574829279.db2.gz	FSQCWDLBYVBLNY-UHFFFAOYSA-N	-1	2	280.335	2.225	20	0		CEADLM
O=C([O-])C1(CNC(=O)c2c(O)cc(F)cc2F)CCCC1	ZINC000833135466	601758617	/nfs/dbraw/zinc/75/86/17/601758617.db2.gz	RXEKUEPXUQXJFZ-UHFFFAOYSA-N	-1	2	299.273	2.045	20	0		CEADLM
CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1	ZINC000897066862	630915010	/nfs/dbraw/zinc/91/50/10/630915010.db2.gz	AGEZDIVIQWQDJV-VIFPVBQESA-N	-1	2	257.280	2.281	20	0		CEADLM
Cc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cccc(O)c2)n1	ZINC000700471141	809313685	/nfs/dbraw/zinc/31/36/85/809313685.db2.gz	JNUCZIYJKVNGKX-SNVBAGLBSA-N	-1	2	259.309	2.047	20	0		CEADLM
CC(C)(C)c1nc(=NC(=O)c2ccccc2O)s[n-]1	ZINC000436863998	377835226	/nfs/dbraw/zinc/83/52/26/377835226.db2.gz	MGVWCOLDNHUKEC-UHFFFAOYSA-N	-1	2	277.349	2.215	20	0		CEADLM
O=C([O-])c1cccc(-c2cccc(-c3nc(=O)o[nH]3)c2)c1	ZINC000576521199	314283757	/nfs/dbraw/zinc/28/37/57/314283757.db2.gz	SJYNJPFJRUJTRO-UHFFFAOYSA-N	-1	2	282.255	2.395	20	0		CEADLM
CC(C)N(CC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1O	ZINC000820004063	598076266	/nfs/dbraw/zinc/07/62/66/598076266.db2.gz	ASWZLIQLQSLRQI-UHFFFAOYSA-N	-1	2	289.690	2.120	20	0		CEADLM
C[C@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@H]1n1cc[nH+]c1	ZINC000828295225	602387064	/nfs/dbraw/zinc/38/70/64/602387064.db2.gz	BIRRYNFSGPFVOF-WCQYABFASA-N	-1	2	289.335	2.257	20	0		CEADLM
CCC(=O)[C@H](CC)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331685	807641071	/nfs/dbraw/zinc/64/10/71/807641071.db2.gz	JWSZYTHWVBHCPU-LBPRGKRZSA-N	-1	2	288.236	2.295	20	0		CEADLM
CCC(=O)[C@H](CC)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331685	807641076	/nfs/dbraw/zinc/64/10/76/807641076.db2.gz	JWSZYTHWVBHCPU-LBPRGKRZSA-N	-1	2	288.236	2.295	20	0		CEADLM
C[C@H]([NH2+]C1CC1)c1nc(-c2ccc(O)c(F)c2)no1	ZINC000383052280	813094079	/nfs/dbraw/zinc/09/40/79/813094079.db2.gz	NLIDHKQNRZXQKN-ZETCQYMHSA-N	-1	2	263.272	2.394	20	0		CEADLM
Cc1nc(Nc2cc[nH+]cc2C(F)(F)F)cc(=O)[nH]1	ZINC001249582644	816378672	/nfs/dbraw/zinc/37/86/72/816378672.db2.gz	DCOPSDZZPMWRTQ-UHFFFAOYSA-N	-1	2	270.214	2.070	20	0		CEADLM
Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc(=N)n(C)[nH]2)cc1F	ZINC000625392127	350488274	/nfs/dbraw/zinc/48/82/74/350488274.db2.gz	QMNPMIFKUKBPON-CYBMUJFWSA-N	-1	2	289.358	2.012	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])c(F)c2)C(=O)[C@@H]1C	ZINC000634632019	368784364	/nfs/dbraw/zinc/78/43/64/368784364.db2.gz	HZJAAVIDGPLLAE-SSDOTTSWSA-N	-1	2	264.256	2.273	20	0		CEADLM
COC(=O)[C@H](C)[N@H+](Cc1nc(C)ccc1O)C1CCC1	ZINC000276880361	374333693	/nfs/dbraw/zinc/33/36/93/374333693.db2.gz	ZZOXAPYRALXYQZ-NSHDSACASA-N	-1	2	278.352	2.012	20	0		CEADLM
CC(C)(C)c1nc(=NC[C@H](C(=O)[O-])c2ccccc2)[nH]o1	ZINC000569007095	395571785	/nfs/dbraw/zinc/57/17/85/395571785.db2.gz	BCLCNQMPSZSGNK-NSHDSACASA-N	-1	2	289.335	2.069	20	0		CEADLM
CC(C)(CCC(=O)[O-])NC(=O)c1cccc(Cl)c1O	ZINC000833457422	605248176	/nfs/dbraw/zinc/24/81/76/605248176.db2.gz	YIURQBVEZKKFAH-UHFFFAOYSA-N	-1	2	285.727	2.419	20	0		CEADLM
O=C([O-])NC[C@H](C(=O)NOC1CCCC1)c1ccccc1	ZINC000834210102	605958479	/nfs/dbraw/zinc/95/84/79/605958479.db2.gz	MMPABBZSBWYOQU-ZDUSSCGKSA-N	-1	2	292.335	2.028	20	0		CEADLM
O=C([O-])[C@H](C(=O)NOCc1ccccc1)C1CCCC1	ZINC000852952900	643606137	/nfs/dbraw/zinc/60/61/37/643606137.db2.gz	WOBGYBKTSCJEQO-ZDUSSCGKSA-N	-1	2	277.320	2.125	20	0		CEADLM
CC(C)CO[N-]C(=O)C1=NN(c2ccccc2F)CC1=O	ZINC000123152173	648824981	/nfs/dbraw/zinc/82/49/81/648824981.db2.gz	GFZKNQYPGUBULJ-UHFFFAOYSA-N	-1	2	293.298	2.034	20	0		CEADLM
COCC[N@H+](C)Cc1ccc(OC)c(O)c1Cl	ZINC001233397790	807402548	/nfs/dbraw/zinc/40/25/48/807402548.db2.gz	MPSVQWOGERSMLL-UHFFFAOYSA-N	-1	2	259.733	2.132	20	0		CEADLM
COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)c(O)cc1F	ZINC001144657930	814145275	/nfs/dbraw/zinc/14/52/75/814145275.db2.gz	NLJVSRFSOJEVFT-JTQLQIEISA-N	-1	2	285.290	2.198	20	0		CEADLM
CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@](C)(F)C2)n1	ZINC000295397420	378138477	/nfs/dbraw/zinc/13/84/77/378138477.db2.gz	LSMJGRMFZSQQQG-ZDUSSCGKSA-N	-1	2	253.321	2.069	20	0		CEADLM
CC(C)(C)c1nc(=NC(=O)c2c([O-])cccc2F)s[nH]1	ZINC000436981542	395171707	/nfs/dbraw/zinc/17/17/07/395171707.db2.gz	VAXBOIFOEMKLDH-UHFFFAOYSA-N	-1	2	295.339	2.355	20	0		CEADLM
OC1(CNc2cc([S-])cc(S)c2)CCOCC1	ZINC001167551551	803119048	/nfs/dbraw/zinc/11/90/48/803119048.db2.gz	IQQOOLFCNNUZBD-UHFFFAOYSA-N	-1	2	271.407	2.217	20	0		CEADLM
OCC[C@H]1CCC[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893941	816403150	/nfs/dbraw/zinc/40/31/50/816403150.db2.gz	MBLJQCQJEGJSLK-SNVBAGLBSA-N	-1	2	271.307	2.265	20	0		CEADLM
Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(O)c1)CCC2	ZINC000336585390	365679664	/nfs/dbraw/zinc/67/96/64/365679664.db2.gz	ZZMCSUNMNVXKFV-ZDUSSCGKSA-N	-1	2	285.347	2.205	20	0		CEADLM
CN(C(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCC[N@@H+](C)C1	ZINC000053247267	232179115	/nfs/dbraw/zinc/17/91/15/232179115.db2.gz	FUCBLDSBXOMQFR-LLVKDONJSA-N	-1	2	282.771	2.212	20	0		CEADLM
CCC1=NN(c2ccc(C(=O)[O-])cc2F)C(=O)[C@H]1C	ZINC000634618732	368768879	/nfs/dbraw/zinc/76/88/79/368768879.db2.gz	BQHPVLIISICPFK-ZETCQYMHSA-N	-1	2	264.256	2.273	20	0		CEADLM
CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1O	ZINC000635929467	369408780	/nfs/dbraw/zinc/40/87/80/369408780.db2.gz	KGOCTYLRWOCMRO-ZDUSSCGKSA-N	-1	2	276.336	2.018	20	0		CEADLM
CSCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1	ZINC000365276486	372816344	/nfs/dbraw/zinc/81/63/44/372816344.db2.gz	GWWSWOPZHUJLFP-UHFFFAOYSA-N	-1	2	284.291	2.051	20	0		CEADLM
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccs2)c1	ZINC000020226976	171092925	/nfs/dbraw/zinc/09/29/25/171092925.db2.gz	FJPJFWFBLXOLLC-UHFFFAOYSA-N	-1	2	297.357	2.176	20	0		CEADLM
C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2O)C[N@@H+]1C1CC1	ZINC000775771853	646990142	/nfs/dbraw/zinc/99/01/42/646990142.db2.gz	XKNZNLJFVGGROU-VHSXEESVSA-N	-1	2	294.782	2.401	20	0		CEADLM
COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(O)c(F)c2F)C1	ZINC001140893622	816403096	/nfs/dbraw/zinc/40/30/96/816403096.db2.gz	VUOITMLVEMHGJM-OAHLLOKOSA-N	-1	2	299.317	2.446	20	0		CEADLM
Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1O	ZINC000335967467	365230674	/nfs/dbraw/zinc/23/06/74/365230674.db2.gz	FAWQPSRPEVPDKZ-GFCCVEGCSA-N	-1	2	271.320	2.401	20	0		CEADLM
Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)on1	ZINC000175254263	368118327	/nfs/dbraw/zinc/11/83/27/368118327.db2.gz	MSVZZHDGGHHEIB-ZJUUUORDSA-N	-1	2	294.380	2.426	20	0		CEADLM
Cc1c(C(=O)[O-])cccc1N1N=C2[C@H](C)CC[C@H]2C1=O	ZINC000634633255	368786041	/nfs/dbraw/zinc/78/60/41/368786041.db2.gz	PJMYYMUNZKDGFQ-LDYMZIIASA-N	-1	2	272.304	2.442	20	0		CEADLM
CC(C)C(C)(C)CNC(=O)c1cccc2[nH]nnc21	ZINC000189281201	369488333	/nfs/dbraw/zinc/48/83/33/369488333.db2.gz	SSDLSIFQPKEORF-UHFFFAOYSA-N	-1	2	260.341	2.370	20	0		CEADLM
O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1CCC[N@H+]1C1CC1	ZINC000330260138	377079531	/nfs/dbraw/zinc/07/95/31/377079531.db2.gz	SLWNYFVZBJZMKR-OAHLLOKOSA-N	-1	2	296.374	2.064	20	0		CEADLM
C[C@H](CN=c1[nH]nc(Cc2ccccc2)s1)CC(=O)[O-]	ZINC000566298145	395510804	/nfs/dbraw/zinc/51/08/04/395510804.db2.gz	QEOQTWKMFVLNPQ-JTQLQIEISA-N	-1	2	291.376	2.074	20	0		CEADLM
O=c1[nH]nc(C[NH+]2CCC(OCC3CCCC3)CC2)s1	ZINC000375385045	157088259	/nfs/dbraw/zinc/08/82/59/157088259.db2.gz	VEVQHZHSDDLELM-UHFFFAOYSA-N	-1	2	297.424	2.415	20	0		CEADLM
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc2[nH]nnc21	ZINC000187580572	270254763	/nfs/dbraw/zinc/25/47/63/270254763.db2.gz	LQLLSVMFESHRMM-GXTWGEPZSA-N	-1	2	296.305	2.383	20	0		CEADLM
Cc1ccccc1-c1nsc(NCCCC(=O)[O-])n1	ZINC000530249873	313289710	/nfs/dbraw/zinc/28/97/10/313289710.db2.gz	GZFMBAQYDXPYLY-UHFFFAOYSA-N	-1	2	277.349	2.212	20	0		CEADLM
CC(C)(CCC(=O)[O-])NC(=O)c1c(O)cc(F)cc1F	ZINC000819940462	598145951	/nfs/dbraw/zinc/14/59/51/598145951.db2.gz	HJLDBURRWXEOSZ-UHFFFAOYSA-N	-1	2	287.262	2.044	20	0		CEADLM
O=C([O-])CCCCNC(=O)c1cc(F)cc(Cl)c1O	ZINC000821518852	604955235	/nfs/dbraw/zinc/95/52/35/604955235.db2.gz	HVXPTQSICZAWEF-UHFFFAOYSA-N	-1	2	289.690	2.169	20	0		CEADLM
O=C(N[C@@H]1CC12CCCCC2)c1cccc2[nH]nnc21	ZINC000188688907	369395224	/nfs/dbraw/zinc/39/52/24/369395224.db2.gz	CAQXAGMTSSFATG-GFCCVEGCSA-N	-1	2	270.336	2.411	20	0		CEADLM
O=C(NC1(Cc2ccccc2)CC1)c1cccc2[nH]nnc21	ZINC000188866746	369420726	/nfs/dbraw/zinc/42/07/26/369420726.db2.gz	WHXRPLDEUBQXJG-UHFFFAOYSA-N	-1	2	292.342	2.463	20	0		CEADLM
CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2O)C[C@@H]1C	ZINC000104144612	542371552	/nfs/dbraw/zinc/37/15/52/542371552.db2.gz	FSZJKOPNTQSELN-JTQLQIEISA-N	-1	2	282.771	2.212	20	0		CEADLM
CC1(c2nc(=NC(=O)c3ccc(O)cc3F)s[n-]2)CC1	ZINC000529699027	395433287	/nfs/dbraw/zinc/43/32/87/395433287.db2.gz	QAGOIIJZYYYUOL-UHFFFAOYSA-N	-1	2	293.323	2.109	20	0		CEADLM
C[N@@H+](Cc1ccoc1)Cc1cc(=O)[nH]c(C2CC2)n1	ZINC000459291579	290106322	/nfs/dbraw/zinc/10/63/22/290106322.db2.gz	COSSKYKUFFTKDU-UHFFFAOYSA-N	-1	2	259.309	2.285	20	0		CEADLM
CCCOC[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234333591	807641099	/nfs/dbraw/zinc/64/10/99/807641099.db2.gz	YEESPXWLQCUVCX-JTQLQIEISA-N	-1	2	290.252	2.352	20	0		CEADLM
CCCOC[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234333591	807641104	/nfs/dbraw/zinc/64/11/04/807641104.db2.gz	YEESPXWLQCUVCX-JTQLQIEISA-N	-1	2	290.252	2.352	20	0		CEADLM
O=C(CNc1cc([S-])cc(S)c1)N1CCCC1	ZINC001164582868	810385675	/nfs/dbraw/zinc/38/56/75/810385675.db2.gz	JSOLBJHRKYGVJL-UHFFFAOYSA-N	-1	2	268.407	2.298	20	0		CEADLM
O=[P@@]([O-])(O)c1ccc(NCCC2CCC2)cc1	ZINC001168891399	811284308	/nfs/dbraw/zinc/28/43/08/811284308.db2.gz	SJJHSEFXQCVKLX-UHFFFAOYSA-N	-1	2	255.254	2.092	20	0		CEADLM
O=[P@]([O-])(O)c1ccc(NCCC2CCC2)cc1	ZINC001168891399	811284315	/nfs/dbraw/zinc/28/43/15/811284315.db2.gz	SJJHSEFXQCVKLX-UHFFFAOYSA-N	-1	2	255.254	2.092	20	0		CEADLM
Oc1cnccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1	ZINC001140279221	816224795	/nfs/dbraw/zinc/22/47/95/816224795.db2.gz	JWHRVHCULAKKFH-AWEZNQCLSA-N	-1	2	297.349	2.093	20	0		CEADLM
Cc1cc(Nc2[nH]c(=S)[nH]c(=O)c2N=O)cc(C)[nH+]1	ZINC001176054617	816342123	/nfs/dbraw/zinc/34/21/23/816342123.db2.gz	IUXGVSKIXSTYQX-UHFFFAOYSA-N	-1	2	277.309	2.046	20	0		CEADLM
O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCc2cccc(O)c21	ZINC000613159324	347984981	/nfs/dbraw/zinc/98/49/81/347984981.db2.gz	LXNYHAOPUKXRNW-LBPRGKRZSA-N	-1	2	297.358	2.200	20	0		CEADLM
O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCc2cccc(O)c21	ZINC000613159324	347984984	/nfs/dbraw/zinc/98/49/84/347984984.db2.gz	LXNYHAOPUKXRNW-LBPRGKRZSA-N	-1	2	297.358	2.200	20	0		CEADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC3(F)F)C2)[nH]1	ZINC000579916640	366721225	/nfs/dbraw/zinc/72/12/25/366721225.db2.gz	USWKSHZTEJCUFB-ZJUUUORDSA-N	-1	2	286.326	2.125	20	0		CEADLM
Cc1c(C(=O)[O-])cccc1N1N=C2[C@@H](C)CC[C@@H]2C1=O	ZINC000634633254	368786173	/nfs/dbraw/zinc/78/61/73/368786173.db2.gz	PJMYYMUNZKDGFQ-KWQFWETISA-N	-1	2	272.304	2.442	20	0		CEADLM
CC(C)(C)CC[C@H](Nc1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000416441781	376072524	/nfs/dbraw/zinc/07/25/24/376072524.db2.gz	RUEADSXHLSEREH-JTQLQIEISA-N	-1	2	280.324	2.471	20	0		CEADLM
Cc1n[nH]cc1C[NH2+]Cc1cccc(O)c1Br	ZINC000315784704	270333696	/nfs/dbraw/zinc/33/36/96/270333696.db2.gz	XOSJTMTZPBKGLH-UHFFFAOYSA-N	-1	2	296.168	2.476	20	0		CEADLM
CC[C@@]1(C)C[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)CCO1	ZINC000248738612	280361924	/nfs/dbraw/zinc/36/19/24/280361924.db2.gz	LNZYDWUSFOLFOB-RISCZKNCSA-N	-1	2	265.357	2.053	20	0		CEADLM
CCC(CC)(CN=c1nc(-c2ccccc2)o[nH]1)C(=O)[O-]	ZINC000424377333	281153769	/nfs/dbraw/zinc/15/37/69/281153769.db2.gz	RBNNOHSNANHKQP-UHFFFAOYSA-N	-1	2	289.335	2.461	20	0		CEADLM
O=C([O-])NCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000834228881	605403075	/nfs/dbraw/zinc/40/30/75/605403075.db2.gz	SDXCWVMDRISUAX-UHFFFAOYSA-N	-1	2	293.106	2.295	20	0		CEADLM