smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(C[C@H]1CNCCO1)NCc1ccccc1O	ZINC000722214409	790789501	/nfs/dbraw/zinc/78/95/01/790789501.db2.gz	JTVVRXXJPYSIOS-LLVKDONJSA-N	0	1	286.353	-0.200	20	10		CBCDMN
CN1CCN(c2ccc(CNC(=O)CON)cc2)CC1	ZINC001122207747	813134056	/nfs/dbraw/zinc/13/40/56/813134056.db2.gz	KZBVEPMWXWLCFC-UHFFFAOYSA-N	0	1	278.356	-0.055	20	10		CBCDMN
NC(=O)[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCO1	ZINC001144514902	814776453	/nfs/dbraw/zinc/77/64/53/814776453.db2.gz	XBDQFAGCTWYIBY-NSHDSACASA-N	0	1	268.269	-0.511	20	10		CBCDMN
O=C1COC[C@H]2CN(Cc3c(O)cc(O)cc3O)CCN12	ZINC001144515001	814776488	/nfs/dbraw/zinc/77/64/88/814776488.db2.gz	ATQPIQIPJGZDSB-SECBINFHSA-N	0	1	294.307	-0.154	20	10		CBCDMN
CN(C)C1CN(C(=O)CN2C(=O)CSC2=S)C1	ZINC001144840832	814778185	/nfs/dbraw/zinc/77/81/85/814778185.db2.gz	FUGXVSALJBJQBF-UHFFFAOYSA-N	0	1	273.383	-0.381	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)N1CCNC2(CC2)C1	ZINC001161544588	815769090	/nfs/dbraw/zinc/76/90/90/815769090.db2.gz	BAZIHZNSZQPXLL-UHFFFAOYSA-N	0	1	285.394	-0.189	20	10		CBCDMN
O=C(CNC(=O)c1ncn[nH]1)c1ccc(O)c(O)c1	ZINC001188699658	823713072	/nfs/dbraw/zinc/71/30/72/823713072.db2.gz	UBCMYQWICHJNCX-UHFFFAOYSA-N	0	1	262.225	-0.171	20	10		CBCDMN
O=C(CNC(=O)c1nc[nH]n1)c1ccc(O)c(O)c1	ZINC001188699658	823713074	/nfs/dbraw/zinc/71/30/74/823713074.db2.gz	UBCMYQWICHJNCX-UHFFFAOYSA-N	0	1	262.225	-0.171	20	10		CBCDMN
O=C(C[C@H]1COCCN1)NCC(=O)c1ccc(O)c(O)c1	ZINC001220489773	825048794	/nfs/dbraw/zinc/04/87/94/825048794.db2.gz	GYCZZHUPAISKND-JTQLQIEISA-N	0	1	294.307	-0.225	20	10		CBCDMN
NC(=O)[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231454615	825410828	/nfs/dbraw/zinc/41/08/28/825410828.db2.gz	HEPDPPBNOKWPSN-LLVKDONJSA-N	0	1	280.280	-0.224	20	10		CBCDMN
NC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231454615	825410834	/nfs/dbraw/zinc/41/08/34/825410834.db2.gz	HEPDPPBNOKWPSN-LLVKDONJSA-N	0	1	280.280	-0.224	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1	ZINC001249177512	825748698	/nfs/dbraw/zinc/74/86/98/825748698.db2.gz	BOBAJFGYUCQGPL-OCCSQVGLSA-N	0	1	295.335	-0.107	20	10		CBCDMN
NCC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1	ZINC000746314042	582284553	/nfs/dbraw/zinc/28/45/53/582284553.db2.gz	LBUSWVAKNFJPIJ-UHFFFAOYSA-N	0	1	290.367	-0.022	20	10		CBCDMN
COc1ccc(NNC=C2C(=O)[N-]C(=S)NC2=O)[nH+]c1	ZINC000780142543	582363810	/nfs/dbraw/zinc/36/38/10/582363810.db2.gz	FNRQVSXBLSODAJ-UHFFFAOYSA-N	0	1	293.308	-0.579	20	10		CBCDMN
O=C(NCCN1CC[C@@H](O)C1)c1cccc(O)c1O	ZINC000863320707	583838125	/nfs/dbraw/zinc/83/81/25/583838125.db2.gz	IACYOPBOINDNEP-SECBINFHSA-N	0	1	266.297	-0.106	20	10		CBCDMN
Nc1ccc(CCNS(=O)(=O)C[C@@H]2CNCCO2)cc1	ZINC000866761500	583931137	/nfs/dbraw/zinc/93/11/37/583931137.db2.gz	RKQUYAZZUFXFPS-ZDUSSCGKSA-N	0	1	299.396	-0.281	20	10		CBCDMN
CN1CCN(c2ccc(CNS(N)(=O)=O)cc2)CC1	ZINC000882664162	584321836	/nfs/dbraw/zinc/32/18/36/584321836.db2.gz	MQFMZQHPDNJGLP-UHFFFAOYSA-N	0	1	284.385	-0.269	20	10		CBCDMN
O=C(NCc1nnc[nH]1)c1cc(O)c(O)c(O)c1	ZINC001148590220	814952795	/nfs/dbraw/zinc/95/27/95/814952795.db2.gz	ZQEOKHMNYZSGBU-UHFFFAOYSA-N	0	1	250.214	-0.149	20	10		CBCDMN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)CO	ZINC001121981103	813099716	/nfs/dbraw/zinc/09/97/16/813099716.db2.gz	HPZADGXVDSVFEV-CQSZACIVSA-N	0	1	293.367	-0.199	20	10		CBCDMN
O=C1COC[C@@H]2CN(Cc3c(O)cc(O)cc3O)CCN12	ZINC001144515002	814776625	/nfs/dbraw/zinc/77/66/25/814776625.db2.gz	ATQPIQIPJGZDSB-VIFPVBQESA-N	0	1	294.307	-0.154	20	10		CBCDMN
N[C@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC[NH2+]C1	ZINC001220489801	825048755	/nfs/dbraw/zinc/04/87/55/825048755.db2.gz	HSRBLASAMDFFLU-CYBMUJFWSA-N	0	1	279.296	-0.913	20	10		CBCDMN
N[C@@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC[NH2+]C1	ZINC001220489802	825048861	/nfs/dbraw/zinc/04/88/61/825048861.db2.gz	HSRBLASAMDFFLU-ZDUSSCGKSA-N	0	1	279.296	-0.913	20	10		CBCDMN
CN1CCN(c2ccc(C[NH2+][C@@H](CO)C(=O)[O-])cc2)CC1	ZINC001331997902	887078065	/nfs/dbraw/zinc/07/80/65/887078065.db2.gz	IEKXIHNXJPKJHO-AWEZNQCLSA-N	0	1	293.367	-0.027	20	10		CBCDMN
O=C(NCc1ccccc1O)C1CNCCS1(=O)=O	ZINC001343541175	889929142	/nfs/dbraw/zinc/92/91/42/889929142.db2.gz	GOUGBULLBNSNLR-NSHDSACASA-N	0	1	284.337	-0.605	20	10		CBCDMN
O=C(Cc1ccc(O)c(O)c1)NCc1n[nH]c(CO)n1	ZINC001470350691	915478246	/nfs/dbraw/zinc/47/82/46/915478246.db2.gz	LQIQFCPMWZAVCI-UHFFFAOYSA-N	0	1	278.268	-0.433	20	10		CBCDMN
COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CO)C2)cc1	ZINC001521929755	922389664	/nfs/dbraw/zinc/38/96/64/922389664.db2.gz	FQIBETKOJHXURV-GXFFZTMASA-N	0	1	279.340	-0.290	20	10		CBCDMN
Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)CN	ZINC000829764673	582898758	/nfs/dbraw/zinc/89/87/58/582898758.db2.gz	SEYVRTYUCLDFMX-UHFFFAOYSA-N	0	1	278.356	-0.248	20	10		CBCDMN
COc1ccc(CNC(=O)CNC(=O)CN)c(O)c1	ZINC000832178429	583015887	/nfs/dbraw/zinc/01/58/87/583015887.db2.gz	RLJJUFFLQOLGSL-UHFFFAOYSA-N	0	1	267.285	-0.908	20	10		CBCDMN
COc1ccc(CN2C[C@@H](O)[C@@H](O)C2)c(O)c1OC	ZINC000892064604	584602691	/nfs/dbraw/zinc/60/26/91/584602691.db2.gz	DKRTZOWQOBKTAS-AOOOYVTPSA-N	0	1	269.297	-0.053	20	10		CBCDMN
O=S1(=O)NC[C@H]2CN(Cc3ccccc3O)CCN21	ZINC000897283038	584711916	/nfs/dbraw/zinc/71/19/16/584711916.db2.gz	BAGQDJPTXYVMIE-NSHDSACASA-N	0	1	283.353	-0.274	20	10		CBCDMN
COc1cc(C(=O)N[C@@H]2CCN(CCO)C2)cc(OC)n1	ZINC001015102816	657406188	/nfs/dbraw/zinc/40/61/88/657406188.db2.gz	LXGIXTITAWYSBK-LLVKDONJSA-N	0	1	295.339	-0.105	20	10		CBCDMN
O=S(=O)(C[C@@H]1CNCCO1)NCc1ccccc1O	ZINC000722214410	790789739	/nfs/dbraw/zinc/78/97/39/790789739.db2.gz	JTVVRXXJPYSIOS-NSHDSACASA-N	0	1	286.353	-0.200	20	10		CBCDMN
[NH3+]C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@H]1O	ZINC001206474565	824400885	/nfs/dbraw/zinc/40/08/85/824400885.db2.gz	FPVJQQGKMYIHFN-CMPLNLGQSA-N	0	1	266.297	-0.158	20	10		CBCDMN
[NH3+]CCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001219877730	824907388	/nfs/dbraw/zinc/90/73/88/824907388.db2.gz	FGUBRZNXXUQIBW-UHFFFAOYSA-N	0	1	264.237	-0.107	20	10		CBCDMN
C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@H](O)CO	ZINC001231562710	825411814	/nfs/dbraw/zinc/41/18/14/825411814.db2.gz	KVYUNRWFTWCUAL-JTQLQIEISA-N	0	1	255.270	-0.125	20	10		CBCDMN
O=S1(=O)CC[C@@H](NC[C@@H](O)c2ccc(O)c(O)c2)C1	ZINC001254313651	825947676	/nfs/dbraw/zinc/94/76/76/825947676.db2.gz	MBUNBZVBNOZBTG-BXKDBHETSA-N	0	1	287.337	-0.092	20	10		CBCDMN
NC(=O)C1=NO[C@@H]2CN(Cc3ccc(O)cc3O)C[C@H]12	ZINC001277192631	828178986	/nfs/dbraw/zinc/17/89/86/828178986.db2.gz	RIWCJVGHXOPHOL-GXSJLCMTSA-N	0	1	277.280	-0.230	20	10		CBCDMN
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)CO)C2)cc1	ZINC001341883964	889678724	/nfs/dbraw/zinc/67/87/24/889678724.db2.gz	ZMQXXJJPPOWUPS-SMDDNHRTSA-N	0	1	293.367	-0.043	20	10		CBCDMN
CC[N@@H+]1CCC[C@H]1CNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000028843115	351371973	/nfs/dbraw/zinc/37/19/73/351371973.db2.gz	BEFKMTOWJQCLHQ-QMMMGPOBSA-N	0	1	282.369	-0.525	20	10		CBCDMN
CC[N@H+]1CCC[C@H]1CNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000028843115	351371976	/nfs/dbraw/zinc/37/19/76/351371976.db2.gz	BEFKMTOWJQCLHQ-QMMMGPOBSA-N	0	1	282.369	-0.525	20	10		CBCDMN
CCC[NH+]1CCC(NC=C2C(=O)[N-]C(=S)NC2=O)CC1	ZINC000028975955	582112068	/nfs/dbraw/zinc/11/20/68/582112068.db2.gz	FPIIFGUGGCESRJ-UHFFFAOYSA-N	0	1	296.396	-0.135	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)C(=O)N2CCNCC2)cc1	ZINC000842035747	583179031	/nfs/dbraw/zinc/17/90/31/583179031.db2.gz	IEOIGMWIXKRZNZ-UHFFFAOYSA-N	0	1	290.367	-0.199	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)C2(O)CNC2)cc1F	ZINC000852863423	583563224	/nfs/dbraw/zinc/56/32/24/583563224.db2.gz	ODSKPJXSXRUPHY-UHFFFAOYSA-N	0	1	267.304	-0.158	20	10		CBCDMN
COC[C@@]1(C(=O)NCCc2ccc(N)cc2)CNCCO1	ZINC000876527914	584131462	/nfs/dbraw/zinc/13/14/62/584131462.db2.gz	HGMCXQPNZPYLBJ-OAHLLOKOSA-N	0	1	293.367	-0.068	20	10		CBCDMN
Cc1nc(CNC(=O)CN2C(=O)CSC2=S)n[nH]1	ZINC001144853076	814778510	/nfs/dbraw/zinc/77/85/10/814778510.db2.gz	QRPWPLYQJFKNTD-UHFFFAOYSA-N	0	1	285.354	-0.410	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)NCc1cnc[nH]1	ZINC001144841174	814778221	/nfs/dbraw/zinc/77/82/21/814778221.db2.gz	UVYNHCZPCMAXOT-UHFFFAOYSA-N	0	1	270.339	-0.114	20	10		CBCDMN
O=S(=O)(NC[C@H](O)c1ccc(O)c(O)c1)c1ncc[nH]1	ZINC001190683397	823836390	/nfs/dbraw/zinc/83/63/90/823836390.db2.gz	PHZLSDGBIKPAEN-JTQLQIEISA-N	0	1	299.308	-0.167	20	10		CBCDMN
N[C@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCC[NH2+]C1	ZINC001220489677	825048489	/nfs/dbraw/zinc/04/84/89/825048489.db2.gz	DLLXFFCQAQYASP-CQSZACIVSA-N	0	1	293.323	-0.522	20	10		CBCDMN
COc1cc(C[N@@H+](C)C[C@H](O)CO)c(O)cc1O	ZINC001231632777	825411761	/nfs/dbraw/zinc/41/17/61/825411761.db2.gz	CWPKJHXRMFIYHT-VIFPVBQESA-N	0	1	257.286	-0.109	20	10		CBCDMN
OC[C@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1O	ZINC001233483300	825423085	/nfs/dbraw/zinc/42/30/85/825423085.db2.gz	UZMFTDKVEANHQY-OQPBUACISA-N	0	1	269.297	-0.022	20	10		CBCDMN
OC[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@H]1O	ZINC001233483021	825423817	/nfs/dbraw/zinc/42/38/17/825423817.db2.gz	LMJSGOOECAJAAD-NXEZZACHSA-N	0	1	269.297	-0.022	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@@H+](C)C[C@H](O)CO)c(O)c1	ZINC001249178661	825748768	/nfs/dbraw/zinc/74/87/68/825748768.db2.gz	UMMRTSVDVNBAJS-LBPRGKRZSA-N	0	1	283.324	-0.107	20	10		CBCDMN
COC[C@@H](O)CNCC(=O)c1ccc(O)c(O)c1	ZINC001252828841	825893193	/nfs/dbraw/zinc/89/31/93/825893193.db2.gz	ZRZNOWPUIIRFOK-VIFPVBQESA-N	0	1	255.270	-0.123	20	10		CBCDMN
O=S1(=O)CC[C@H](NC[C@@H](O)c2ccc(O)c(O)c2)C1	ZINC001254313657	825948205	/nfs/dbraw/zinc/94/82/05/825948205.db2.gz	MBUNBZVBNOZBTG-JOYOIKCWSA-N	0	1	287.337	-0.092	20	10		CBCDMN
CN1CC2(C1)CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2	ZINC001272972263	827854468	/nfs/dbraw/zinc/85/44/68/827854468.db2.gz	QJVBSFUDROUKBK-CYBMUJFWSA-N	0	1	292.335	-0.225	20	10		CBCDMN
O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1nn[nH]n1	ZINC001454555228	914226158	/nfs/dbraw/zinc/22/61/58/914226158.db2.gz	SWZWARXAOQDAPY-QMMMGPOBSA-N	0	1	291.267	-0.175	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)CNC(=O)CN)cc1F	ZINC000274472517	522191281	/nfs/dbraw/zinc/19/12/81/522191281.db2.gz	XUCHXYFKMCAJAW-UHFFFAOYSA-N	0	1	282.319	-0.417	20	10		CBCDMN
NCC(=O)NCC(=O)NCCCSc1nccs1	ZINC000124891781	582120436	/nfs/dbraw/zinc/12/04/36/582120436.db2.gz	FJDZCALNLUNIKH-UHFFFAOYSA-N	0	1	288.398	-0.184	20	10		CBCDMN
COc1cccc(NNC=C2C(=O)[N-]C(=S)NC2=O)[nH+]1	ZINC000779706293	582362473	/nfs/dbraw/zinc/36/24/73/582362473.db2.gz	BJNRKYZZEYHLDK-UHFFFAOYSA-N	0	1	293.308	-0.579	20	10		CBCDMN
O=C1[N-]C(=S)NC(=O)C1=CNNc1[nH+]cccc1F	ZINC000794700175	582406641	/nfs/dbraw/zinc/40/66/41/582406641.db2.gz	PPUBYFUOIGOFQL-UHFFFAOYSA-N	0	1	281.272	-0.448	20	10		CBCDMN
CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(N)cc1	ZINC000825627752	582742846	/nfs/dbraw/zinc/74/28/46/582742846.db2.gz	QBTHPUQJYRNTNY-UHFFFAOYSA-N	0	1	290.367	-0.299	20	10		CBCDMN
COC(=O)C[C@H](N)C(=O)NCCc1ccc(N)cc1	ZINC000832653138	583034295	/nfs/dbraw/zinc/03/42/95/583034295.db2.gz	QLUIWNDRVUMKPB-NSHDSACASA-N	0	1	265.313	-0.182	20	10		CBCDMN
COc1ccc(N2CCN(C(=O)C3(O)CNC3)CC2)cc1	ZINC000852855168	583561451	/nfs/dbraw/zinc/56/14/51/583561451.db2.gz	WDFSEHIYCFRYCV-UHFFFAOYSA-N	0	1	291.351	-0.322	20	10		CBCDMN
Nc1ccc(CCNS(=O)(=O)C[C@H]2CNCCO2)cc1	ZINC000866761490	583931112	/nfs/dbraw/zinc/93/11/12/583931112.db2.gz	RKQUYAZZUFXFPS-CYBMUJFWSA-N	0	1	299.396	-0.281	20	10		CBCDMN
CN(Cc1ccccc1O)C(=O)CNC(=O)CN	ZINC000037823803	656003747	/nfs/dbraw/zinc/00/37/47/656003747.db2.gz	CGRBRLLAWWPKTL-UHFFFAOYSA-N	0	1	251.286	-0.575	20	10		CBCDMN
NC(=O)c1[nH]ncc1NC(=O)CN1C(=O)CSC1=S	ZINC001144840792	814778218	/nfs/dbraw/zinc/77/82/18/814778218.db2.gz	CQKRNYPGQMFJEI-UHFFFAOYSA-N	0	1	299.337	-0.693	20	10		CBCDMN
CC(=O)OC[C@H](N)C(=O)NCCc1cc(O)c(O)cc1O	ZINC001220114922	824958870	/nfs/dbraw/zinc/95/88/70/824958870.db2.gz	BYZCKSNHSLVQGB-VIFPVBQESA-N	0	1	298.295	-0.648	20	10		CBCDMN
[NH3+]C[C@@H](O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220490001	825048280	/nfs/dbraw/zinc/04/82/80/825048280.db2.gz	OWVUSQAQZYOZCJ-QMMMGPOBSA-N	0	1	268.269	-0.894	20	10		CBCDMN
O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1	ZINC001231560155	825411429	/nfs/dbraw/zinc/41/14/29/825411429.db2.gz	AVCAOJANSPUGEP-JQWIXIFHSA-N	0	1	267.281	-0.125	20	10		CBCDMN
NC(=O)CN1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC001231566347	825411591	/nfs/dbraw/zinc/41/15/91/825411591.db2.gz	YYLPLMACHOQRGY-UHFFFAOYSA-N	0	1	293.323	-0.307	20	10		CBCDMN
OC[C@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@H]1O	ZINC001233483298	825424006	/nfs/dbraw/zinc/42/40/06/825424006.db2.gz	UZMFTDKVEANHQY-AMIZOPFISA-N	0	1	269.297	-0.022	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1	ZINC001249177510	825748345	/nfs/dbraw/zinc/74/83/45/825748345.db2.gz	BOBAJFGYUCQGPL-GXTWGEPZSA-N	0	1	295.335	-0.107	20	10		CBCDMN
O=S1(=O)CC[C@@H](NC[C@H](O)c2ccc(O)c(O)c2)C1	ZINC001254313658	825947446	/nfs/dbraw/zinc/94/74/46/825947446.db2.gz	MBUNBZVBNOZBTG-SKDRFNHKSA-N	0	1	287.337	-0.092	20	10		CBCDMN
O=C(C(=O)N1CCNCC1)N1Cc2cccc(O)c2C1	ZINC001330567632	886481303	/nfs/dbraw/zinc/48/13/03/886481303.db2.gz	KOICDLVPCGILJG-UHFFFAOYSA-N	0	1	275.308	-0.334	20	10		CBCDMN
COc1ccc(N2CCN(C(=O)[C@H](N)CO)CC2)cc1F	ZINC001357431364	891893660	/nfs/dbraw/zinc/89/36/60/891893660.db2.gz	TZEOPPKVGLKWMS-GFCCVEGCSA-N	0	1	297.330	-0.198	20	10		CBCDMN
COC[C@@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1	ZINC001558339647	924165281	/nfs/dbraw/zinc/16/52/81/924165281.db2.gz	ITIAHMXBOGIQIJ-SSDOTTSWSA-N	0	1	279.256	-0.272	20	10		CBCDMN
Oc1cc2c(cc1CN1C[C@@H](O)[C@H](O)C1)OCO2	ZINC000278302203	526336742	/nfs/dbraw/zinc/33/67/42/526336742.db2.gz	DLPQMMBSIMFMFL-NXEZZACHSA-N	0	1	253.254	-0.342	20	10		CBCDMN
O=C1[N-]C(=S)NC(=O)C1=CNCCC[NH+]1CCCC1	ZINC000048403278	527057506	/nfs/dbraw/zinc/05/75/06/527057506.db2.gz	QVLKIYITWQNZMM-UHFFFAOYSA-N	0	1	282.369	-0.523	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)N1CCN2CC[C@H]2C1	ZINC001144850139	814778504	/nfs/dbraw/zinc/77/85/04/814778504.db2.gz	OBAGABOIXXBODM-QMMMGPOBSA-N	0	1	285.394	-0.237	20	10		CBCDMN
C[C@H](NC(=O)C1CNCCS1(=O)=O)c1ccccc1O	ZINC001122191131	813130476	/nfs/dbraw/zinc/13/04/76/813130476.db2.gz	KHDVFRGZTOJPNO-CABZTGNLSA-N	0	1	298.364	-0.044	20	10		CBCDMN
NC(=O)N1CCN(Cc2c(O)cc(O)cc2O)CC1	ZINC001144508854	814776455	/nfs/dbraw/zinc/77/64/55/814776455.db2.gz	AXRJSUCHAIFJOU-UHFFFAOYSA-N	0	1	267.285	0.000	20	10		CBCDMN
COc1cc(CN(C)C[C@@H](O)CO)cc(O)c1O	ZINC001204347078	824366419	/nfs/dbraw/zinc/36/64/19/824366419.db2.gz	LXMZZVMBJQLKMV-SECBINFHSA-N	0	1	257.286	-0.109	20	10		CBCDMN
O=C(C[C@H]1COCCN1)NCCc1cc(O)c(O)cc1O	ZINC001220115105	824958838	/nfs/dbraw/zinc/95/88/38/824958838.db2.gz	HAEAFDGSXVHMKB-JTQLQIEISA-N	0	1	296.323	-0.159	20	10		CBCDMN
[NH3+]C[C@H](O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220490000	825047475	/nfs/dbraw/zinc/04/74/75/825047475.db2.gz	OWVUSQAQZYOZCJ-MRVPVSSYSA-N	0	1	268.269	-0.894	20	10		CBCDMN
O=C(CNC(=O)[C@@H]1CC[NH2+]1)c1ccc([O-])c(O)c1	ZINC001220490023	825048442	/nfs/dbraw/zinc/04/84/42/825048442.db2.gz	PPMLRPLTBBJAPM-QMMMGPOBSA-N	0	1	250.254	-0.241	20	10		CBCDMN
O=C([O-])c1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1	ZINC001231560157	825411865	/nfs/dbraw/zinc/41/18/65/825411865.db2.gz	AVCAOJANSPUGEP-ZYHUDNBSSA-N	0	1	267.281	-0.125	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1	ZINC001249177513	825748302	/nfs/dbraw/zinc/74/83/02/825748302.db2.gz	BOBAJFGYUCQGPL-TZMCWYRMSA-N	0	1	295.335	-0.107	20	10		CBCDMN
N[C@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC001263160927	826746051	/nfs/dbraw/zinc/74/60/51/826746051.db2.gz	RKZVOJSNVZEFBB-CQSZACIVSA-N	0	1	293.367	-0.417	20	10		CBCDMN
CN1C(=O)COCC12CN(Cc1c(O)cc(O)cc1O)C2	ZINC001273671437	827916860	/nfs/dbraw/zinc/91/68/60/827916860.db2.gz	GCZAIMCNENUQGV-UHFFFAOYSA-N	0	1	294.307	-0.154	20	10		CBCDMN
COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CO)cc1	ZINC001341308477	889575071	/nfs/dbraw/zinc/57/50/71/889575071.db2.gz	ZVPAPABWCRSCEM-CYBMUJFWSA-N	0	1	281.356	-0.091	20	10		CBCDMN
COc1nc(C(=O)OCC(=O)C(C)=O)cc(=O)[nH]1	ZINC000808538610	582443468	/nfs/dbraw/zinc/44/34/68/582443468.db2.gz	YLPAVRODVYGAOR-UHFFFAOYSA-N	0	1	254.198	-0.494	20	10		CBCDMN
O=C(NCc1ccc(N2CCOCC2)cc1)C1(O)CNC1	ZINC000852858682	583562094	/nfs/dbraw/zinc/56/20/94/583562094.db2.gz	FZTBMYSKTRBWKU-UHFFFAOYSA-N	0	1	291.351	-0.526	20	10		CBCDMN
NC(=O)CN1CCN(Cc2cc(F)cc(F)c2O)CC1=O	ZINC000894986961	584668277	/nfs/dbraw/zinc/66/82/77/584668277.db2.gz	XENUARGXNVEIOM-UHFFFAOYSA-N	0	1	299.277	-0.200	20	10		CBCDMN
C[N@H+](CCO)CCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000899737412	584778079	/nfs/dbraw/zinc/77/80/79/584778079.db2.gz	ITLCOUZFVNWHAM-UHFFFAOYSA-N	0	1	272.276	-0.109	20	10		CBCDMN
C[N@@H+](CCO)CCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000899737412	584778081	/nfs/dbraw/zinc/77/80/81/584778081.db2.gz	ITLCOUZFVNWHAM-UHFFFAOYSA-N	0	1	272.276	-0.109	20	10		CBCDMN
C[C@@H]1CN(C(=O)CN2C(=O)CSC2=S)CCN1	ZINC001161014534	815694559	/nfs/dbraw/zinc/69/45/59/815694559.db2.gz	GRORYHRGKZNXHY-SSDOTTSWSA-N	0	1	273.383	-0.333	20	10		CBCDMN
O=C(NCCc1cc(O)c(O)cc1O)c1ncn[nH]1	ZINC001188703766	823713710	/nfs/dbraw/zinc/71/37/10/823713710.db2.gz	DXDYUXMZJRRYMV-UHFFFAOYSA-N	0	1	264.241	-0.106	20	10		CBCDMN
O=C(NCCc1cc(O)c(O)cc1O)c1nc[nH]n1	ZINC001188703766	823713715	/nfs/dbraw/zinc/71/37/15/823713715.db2.gz	DXDYUXMZJRRYMV-UHFFFAOYSA-N	0	1	264.241	-0.106	20	10		CBCDMN
NC(=O)[C@H](CO)NC(=O)c1cc(O)c(O)c(Cl)c1	ZINC001193625507	824041073	/nfs/dbraw/zinc/04/10/73/824041073.db2.gz	JLUKVJNLAYQFEE-LURJTMIESA-N	0	1	274.660	-0.673	20	10		CBCDMN
Nc1ccc(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)cc1	ZINC001219621922	824861999	/nfs/dbraw/zinc/86/19/99/824861999.db2.gz	JLZYUYYUOOSJLB-GXTWGEPZSA-N	0	1	281.331	-0.010	20	10		CBCDMN
C[C@@H](C[NH3+])C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220489751	825048423	/nfs/dbraw/zinc/04/84/23/825048423.db2.gz	FPHLGIBLJGALDL-ZETCQYMHSA-N	0	1	252.270	-0.009	20	10		CBCDMN
NC(=O)[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231565846	825410780	/nfs/dbraw/zinc/41/07/80/825410780.db2.gz	LGSHNSQRRAXVTL-LLVKDONJSA-N	0	1	280.280	-0.224	20	10		CBCDMN
NC(=O)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231565846	825410786	/nfs/dbraw/zinc/41/07/86/825410786.db2.gz	LGSHNSQRRAXVTL-LLVKDONJSA-N	0	1	280.280	-0.224	20	10		CBCDMN
OC[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@H]1O	ZINC001233483023	825423363	/nfs/dbraw/zinc/42/33/63/825423363.db2.gz	LMJSGOOECAJAAD-VHSXEESVSA-N	0	1	269.297	-0.022	20	10		CBCDMN
COc1ccc(N(C)CCN(C)C(=O)C2(O)CNC2)cc1	ZINC000852896338	583571228	/nfs/dbraw/zinc/57/12/28/583571228.db2.gz	YJCTYMSRYHXBGD-UHFFFAOYSA-N	0	1	293.367	-0.076	20	10		CBCDMN
COc1ccc(N2CC[C@H](NC(=O)C3(O)CNC3)C2)cc1	ZINC000852900841	583572641	/nfs/dbraw/zinc/57/26/41/583572641.db2.gz	SUMLXYJUQPMPGZ-NSHDSACASA-N	0	1	291.351	-0.276	20	10		CBCDMN
O=S1(=O)NC[C@@H]2CN(Cc3ccccc3O)CCN21	ZINC000897283037	584711799	/nfs/dbraw/zinc/71/17/99/584711799.db2.gz	BAGQDJPTXYVMIE-LLVKDONJSA-N	0	1	283.353	-0.274	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)NCc1nnc[nH]1	ZINC001144848776	814778482	/nfs/dbraw/zinc/77/84/82/814778482.db2.gz	WXRIRSCPPGXDGD-UHFFFAOYSA-N	0	1	271.327	-0.719	20	10		CBCDMN
O=C(NCc1c[nH]nn1)c1cc(O)c(O)c(O)c1	ZINC001148589632	814950901	/nfs/dbraw/zinc/95/09/01/814950901.db2.gz	FLPAULIWVSVRLL-UHFFFAOYSA-N	0	1	250.214	-0.149	20	10		CBCDMN
CC(=O)OC[C@H](N)C(=O)NCc1ccccc1O	ZINC001219923695	824916770	/nfs/dbraw/zinc/91/67/70/824916770.db2.gz	XOOXCHDLTLHYQR-JTQLQIEISA-N	0	1	252.270	-0.101	20	10		CBCDMN
O=C(C[C@@H]1COCCN1)NCCc1cc(O)c(O)cc1O	ZINC001220115106	824958680	/nfs/dbraw/zinc/95/86/80/824958680.db2.gz	HAEAFDGSXVHMKB-SNVBAGLBSA-N	0	1	296.323	-0.159	20	10		CBCDMN
N[C@@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCC[NH2+]C1	ZINC001220489672	825048186	/nfs/dbraw/zinc/04/81/86/825048186.db2.gz	DLLXFFCQAQYASP-AWEZNQCLSA-N	0	1	293.323	-0.522	20	10		CBCDMN
NC(=O)[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231565850	825411646	/nfs/dbraw/zinc/41/16/46/825411646.db2.gz	LGSHNSQRRAXVTL-NSHDSACASA-N	0	1	280.280	-0.224	20	10		CBCDMN
NC(=O)[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231565850	825411651	/nfs/dbraw/zinc/41/16/51/825411651.db2.gz	LGSHNSQRRAXVTL-NSHDSACASA-N	0	1	280.280	-0.224	20	10		CBCDMN
O=S1(=O)CC[C@H](NC[C@H](O)c2ccc(O)c(O)c2)C1	ZINC001254313656	825948455	/nfs/dbraw/zinc/94/84/55/825948455.db2.gz	MBUNBZVBNOZBTG-CABZTGNLSA-N	0	1	287.337	-0.092	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)[C@H](N)CO)cc1F	ZINC001340837766	889495107	/nfs/dbraw/zinc/49/51/07/889495107.db2.gz	CIUPIAFWCVLQOC-SNVBAGLBSA-N	0	1	255.293	-0.173	20	10		CBCDMN
O=C(NCc1n[nH]c(CO)n1)c1cccc(O)c1O	ZINC001453806749	914144258	/nfs/dbraw/zinc/14/42/58/914144258.db2.gz	MRQNCYYFNLOTCN-UHFFFAOYSA-N	0	1	264.241	-0.362	20	10		CBCDMN
CN(C)c1ccc(CN(C)C(=O)CNC(CO)CO)cc1	ZINC000846940875	583393634	/nfs/dbraw/zinc/39/36/34/583393634.db2.gz	YQYJQSUSUBNRLN-UHFFFAOYSA-N	0	1	295.383	-0.346	20	10		CBCDMN
COc1ccc(CNC(=O)C2(O)CNC2)c(O)c1	ZINC000852889824	583569764	/nfs/dbraw/zinc/56/97/64/583569764.db2.gz	FTWZULCMYCCEBJ-UHFFFAOYSA-N	0	1	252.270	-0.649	20	10		CBCDMN
CNS(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000882663023	584321841	/nfs/dbraw/zinc/32/18/41/584321841.db2.gz	PSLBFYOESLUKAZ-UHFFFAOYSA-N	0	1	298.412	-0.008	20	10		CBCDMN
NCC(=O)NCC(=O)NCCc1ccc(N)cc1	ZINC000215943438	790429621	/nfs/dbraw/zinc/42/96/21/790429621.db2.gz	DKUMPIQSUVYBLW-UHFFFAOYSA-N	0	1	250.302	-0.998	20	10		CBCDMN
O=C(C=Cc1ccc(O)c(O)c1)NCc1nn[nH]n1	ZINC001179689115	820637906	/nfs/dbraw/zinc/63/79/06/820637906.db2.gz	FGUUDUPTDLYTCE-DUXPYHPUSA-N	0	1	261.241	-0.060	20	10		CBCDMN
O=C(CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc([O-])c(O)c1	ZINC001220489851	825047582	/nfs/dbraw/zinc/04/75/82/825047582.db2.gz	JKWMNBIVXKSJJG-CABZTGNLSA-N	0	1	280.280	-0.881	20	10		CBCDMN
O=C(C[C@@H]1COCCN1)NCC(=O)c1ccc(O)c(O)c1	ZINC001220489774	825047773	/nfs/dbraw/zinc/04/77/73/825047773.db2.gz	GYCZZHUPAISKND-SNVBAGLBSA-N	0	1	294.307	-0.225	20	10		CBCDMN
O=C(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc([O-])c(O)c1	ZINC001220489776	825048667	/nfs/dbraw/zinc/04/86/67/825048667.db2.gz	HAHBWPKFMGECIQ-IUCAKERBSA-N	0	1	280.280	-0.881	20	10		CBCDMN
CCOC(=O)C1(NC(=O)Cc2ccc(N)cc2)CNC1	ZINC001220853042	825112207	/nfs/dbraw/zinc/11/22/07/825112207.db2.gz	IWQOYOKBMCSGDW-UHFFFAOYSA-N	0	1	277.324	-0.167	20	10		CBCDMN
COc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)cc1O	ZINC001231635331	825410996	/nfs/dbraw/zinc/41/09/96/825410996.db2.gz	WSMLASUDUZVHLV-JOYOIKCWSA-N	0	1	269.297	-0.109	20	10		CBCDMN
COc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)cc1O	ZINC001231635329	825411405	/nfs/dbraw/zinc/41/14/05/825411405.db2.gz	WSMLASUDUZVHLV-BXKDBHETSA-N	0	1	269.297	-0.109	20	10		CBCDMN
COc1cc(C[N@@H+](C)C[C@@H](O)CO)c(O)cc1O	ZINC001231632776	825411869	/nfs/dbraw/zinc/41/18/69/825411869.db2.gz	CWPKJHXRMFIYHT-SECBINFHSA-N	0	1	257.286	-0.109	20	10		CBCDMN
CN1CCN(c2ccc(C[NH2+][C@H](CO)C(=O)[O-])cc2)CC1	ZINC001332485745	887313272	/nfs/dbraw/zinc/31/32/72/887313272.db2.gz	IEKXIHNXJPKJHO-CQSZACIVSA-N	0	1	293.367	-0.027	20	10		CBCDMN
O=C(NCc1ccccc1O)C1CNCCS1(=O)=O	ZINC001343541173	889928561	/nfs/dbraw/zinc/92/85/61/889928561.db2.gz	GOUGBULLBNSNLR-LLVKDONJSA-N	0	1	284.337	-0.605	20	10		CBCDMN
Nc1ccc(CNC(=O)NCC(=O)N2CCNCC2)cc1	ZINC001346461076	890296561	/nfs/dbraw/zinc/29/65/61/890296561.db2.gz	CKYGVQGJLOSERR-UHFFFAOYSA-N	0	1	291.355	-0.500	20	10		CBCDMN
NC(=O)C1(O)CN(Cc2ccc(F)c(F)c2O)C1	ZINC001462550476	914881974	/nfs/dbraw/zinc/88/19/74/914881974.db2.gz	VVWIXYRWYBXLPG-UHFFFAOYSA-N	0	1	258.224	-0.298	20	10		CBCDMN
COc1cc(O)c(CN2C[C@@H](O)[C@@H](O)C2)cc1OC	ZINC000278114955	522776970	/nfs/dbraw/zinc/77/69/70/522776970.db2.gz	AKQOHVDKJQVGHQ-PHIMTYICSA-N	0	1	269.297	-0.053	20	10		CBCDMN
COc1cc(O)c(CN2C[C@H](O)[C@@H](O)C2)cc1OC	ZINC000278114962	522778219	/nfs/dbraw/zinc/77/82/19/522778219.db2.gz	AKQOHVDKJQVGHQ-QWRGUYRKSA-N	0	1	269.297	-0.053	20	10		CBCDMN
COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)CN)c1	ZINC000828666482	582868959	/nfs/dbraw/zinc/86/89/59/582868959.db2.gz	DXRJQHNWRYMPKE-MRVPVSSYSA-N	0	1	281.312	-0.347	20	10		CBCDMN
NC(=O)CN1CCN(Cc2ccc(F)c(F)c2O)CC1=O	ZINC000877583245	584183362	/nfs/dbraw/zinc/18/33/62/584183362.db2.gz	NAFZIWLQWJGTOK-UHFFFAOYSA-N	0	1	299.277	-0.200	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)N1CCN2CC[C@@H]2C1	ZINC001144850138	814778494	/nfs/dbraw/zinc/77/84/94/814778494.db2.gz	OBAGABOIXXBODM-MRVPVSSYSA-N	0	1	285.394	-0.237	20	10		CBCDMN
O=C(CN1C(=O)CSC1=S)NCc1c[nH]nn1	ZINC001144848229	814778523	/nfs/dbraw/zinc/77/85/23/814778523.db2.gz	HRVUWZDECZRRDD-UHFFFAOYSA-N	0	1	271.327	-0.719	20	10		CBCDMN
CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148581731	814951746	/nfs/dbraw/zinc/95/17/46/814951746.db2.gz	UAMPUILBTWAGRO-UHFFFAOYSA-N	0	1	290.297	-0.836	20	10		CBCDMN
COc1cc(CN(C)C[C@H](O)CO)cc(O)c1O	ZINC001204347079	824366468	/nfs/dbraw/zinc/36/64/68/824366468.db2.gz	LXMZZVMBJQLKMV-VIFPVBQESA-N	0	1	257.286	-0.109	20	10		CBCDMN
[NH3+][C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2O)C[C@H]1O	ZINC001205959607	824391258	/nfs/dbraw/zinc/39/12/58/824391258.db2.gz	PZURAJWOKZPBCM-ZYHUDNBSSA-N	0	1	266.297	-0.016	20	10		CBCDMN
OC[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@@H]1O	ZINC001233483022	825423063	/nfs/dbraw/zinc/42/30/63/825423063.db2.gz	LMJSGOOECAJAAD-UWVGGRQHSA-N	0	1	269.297	-0.022	20	10		CBCDMN
CN1CCN(c2ccc(C[NH2+]C[C@H](O)C(=O)[O-])cc2)CC1	ZINC001334843680	888343651	/nfs/dbraw/zinc/34/36/51/888343651.db2.gz	BDXRYCZXADMLMJ-AWEZNQCLSA-N	0	1	293.367	-0.027	20	10		CBCDMN
CN(Cc1ccccc1O)C(=O)C1CNCCS1(=O)=O	ZINC001340605631	889455058	/nfs/dbraw/zinc/45/50/58/889455058.db2.gz	LTZHMEBQIJZLMC-GFCCVEGCSA-N	0	1	298.364	-0.263	20	10		CBCDMN
COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CO)C2)cc1	ZINC001341883961	889678332	/nfs/dbraw/zinc/67/83/32/889678332.db2.gz	ZMQXXJJPPOWUPS-BXUZGUMPSA-N	0	1	293.367	-0.043	20	10		CBCDMN
COc1cc(O)c(CN2C[C@@H](O)[C@H](O)C2)cc1OC	ZINC000278114948	522776507	/nfs/dbraw/zinc/77/65/07/522776507.db2.gz	AKQOHVDKJQVGHQ-GHMZBOCLSA-N	0	1	269.297	-0.053	20	10		CBCDMN
COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)CN)c1	ZINC000828666484	582868963	/nfs/dbraw/zinc/86/89/63/582868963.db2.gz	DXRJQHNWRYMPKE-QMMMGPOBSA-N	0	1	281.312	-0.347	20	10		CBCDMN
CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000883146180	584338089	/nfs/dbraw/zinc/33/80/89/584338089.db2.gz	CZCWKLYYGRZBOS-UHFFFAOYSA-N	0	1	290.367	-0.199	20	10		CBCDMN
COc1cc(C(=O)N[C@H]2CCN(CCO)C2)cc(OC)n1	ZINC001015102817	657406916	/nfs/dbraw/zinc/40/69/16/657406916.db2.gz	LXGIXTITAWYSBK-NSHDSACASA-N	0	1	295.339	-0.105	20	10		CBCDMN
CN1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C2	ZINC001144850689	814778545	/nfs/dbraw/zinc/77/85/45/814778545.db2.gz	YVBNXVBXPGFZMB-UHFFFAOYSA-N	0	1	285.394	-0.379	20	10		CBCDMN
Cn1[nH]cnc1=NC(=O)c1cc(O)c(O)c(O)c1	ZINC001148581175	814950915	/nfs/dbraw/zinc/95/09/15/814950915.db2.gz	NVNCZXWMAQVRAX-UHFFFAOYSA-N	0	1	250.214	-0.394	20	10		CBCDMN
O=C(CNS(=O)(=O)c1ncc[nH]1)c1ccc(O)c(O)c1	ZINC001190748587	823847031	/nfs/dbraw/zinc/84/70/31/823847031.db2.gz	DQYHYNIONQHQQU-UHFFFAOYSA-N	0	1	297.292	-0.018	20	10		CBCDMN
O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1	ZINC001231560153	825411023	/nfs/dbraw/zinc/41/10/23/825411023.db2.gz	AVCAOJANSPUGEP-CMPLNLGQSA-N	0	1	267.281	-0.125	20	10		CBCDMN
COc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)cc1O	ZINC001231635330	825411950	/nfs/dbraw/zinc/41/19/50/825411950.db2.gz	WSMLASUDUZVHLV-CABZTGNLSA-N	0	1	269.297	-0.109	20	10		CBCDMN
OC[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@H]1O	ZINC001233483299	825424364	/nfs/dbraw/zinc/42/43/64/825424364.db2.gz	UZMFTDKVEANHQY-ISVAXAHUSA-N	0	1	269.297	-0.022	20	10		CBCDMN
O=C([O-])CNC(=O)C[NH2+]Cc1cc(F)cc(F)c1O	ZINC001262163848	826646160	/nfs/dbraw/zinc/64/61/60/826646160.db2.gz	JWLVNNYTYQHFGV-UHFFFAOYSA-N	0	1	274.223	-0.039	20	10		CBCDMN
CN(Cc1ccccc1O)C(=O)C1CNCCS1(=O)=O	ZINC001340605632	889454201	/nfs/dbraw/zinc/45/42/01/889454201.db2.gz	LTZHMEBQIJZLMC-LBPRGKRZSA-N	0	1	298.364	-0.263	20	10		CBCDMN
N[C@H](CO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC001340820534	889489393	/nfs/dbraw/zinc/48/93/93/889489393.db2.gz	HKLGANACGNJLOK-GFCCVEGCSA-N	0	1	297.330	-0.402	20	10		CBCDMN
COC[C@]1(C(=O)NCc2ccc(N)cc2)CNCCO1	ZINC001342698224	889819046	/nfs/dbraw/zinc/81/90/46/889819046.db2.gz	BNWPNKHKBQNQSP-AWEZNQCLSA-N	0	1	279.340	-0.110	20	10		CBCDMN
O=C(CCc1nn[nH]n1)NCCc1ccc(O)c(O)c1	ZINC001545669360	923319523	/nfs/dbraw/zinc/31/95/23/923319523.db2.gz	WXYMHHJMLLQQIA-UHFFFAOYSA-N	0	1	277.284	-0.098	20	10		CBCDMN
CC[N@@H+]1CCC[C@@H]1CNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000028843112	351372545	/nfs/dbraw/zinc/37/25/45/351372545.db2.gz	BEFKMTOWJQCLHQ-MRVPVSSYSA-N	0	1	282.369	-0.525	20	10		CBCDMN
CC[N@H+]1CCC[C@@H]1CNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000028843112	351372549	/nfs/dbraw/zinc/37/25/49/351372549.db2.gz	BEFKMTOWJQCLHQ-MRVPVSSYSA-N	0	1	282.369	-0.525	20	10		CBCDMN
COC(=O)C[C@H](N)C(=O)NCc1ccccc1O	ZINC000828015234	582839942	/nfs/dbraw/zinc/83/99/42/582839942.db2.gz	BKQLSBUNXFXMMV-VIFPVBQESA-N	0	1	252.270	-0.101	20	10		CBCDMN
Cc1cccc(O)c1CN1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000876800823	584145510	/nfs/dbraw/zinc/14/55/10/584145510.db2.gz	VZPUDSRETRXFRB-LLVKDONJSA-N	0	1	289.335	-0.157	20	10		CBCDMN
Cc1cccc(O)c1CN1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000876800824	584145547	/nfs/dbraw/zinc/14/55/47/584145547.db2.gz	VZPUDSRETRXFRB-NSHDSACASA-N	0	1	289.335	-0.157	20	10		CBCDMN
CN(C)c1ccc(CN(C)C(=O)CNC(=O)CN)cc1	ZINC000037801192	656003642	/nfs/dbraw/zinc/00/36/42/656003642.db2.gz	WWNSLKMRFMLOGP-UHFFFAOYSA-N	0	1	278.356	-0.214	20	10		CBCDMN
CN(CC(=O)NCC(=O)c1ccc([O-])c(O)c1)C(N)=[NH2+]	ZINC001144142442	814773621	/nfs/dbraw/zinc/77/36/21/814773621.db2.gz	MBDDWDHCRXACKO-UHFFFAOYSA-N	0	1	280.284	-0.778	20	10		CBCDMN
NC(=O)CN1CCN(Cc2c(O)cc(O)cc2O)CC1	ZINC001144514681	814776519	/nfs/dbraw/zinc/77/65/19/814776519.db2.gz	OPELKVKTVBTAMN-UHFFFAOYSA-N	0	1	281.312	-0.594	20	10		CBCDMN
O=C(Cc1nn[nH]n1)NCCc1cc(O)c(O)cc1O	ZINC001176845647	820469533	/nfs/dbraw/zinc/46/95/33/820469533.db2.gz	QYGSGWVTTVAWNP-UHFFFAOYSA-N	0	1	279.256	-0.782	20	10		CBCDMN
O=S(=O)(NC[C@@H](O)c1ccc(O)c(O)c1)c1ncc[nH]1	ZINC001190683398	823835298	/nfs/dbraw/zinc/83/52/98/823835298.db2.gz	PHZLSDGBIKPAEN-SNVBAGLBSA-N	0	1	299.308	-0.167	20	10		CBCDMN
COc1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)cc1O	ZINC001231635332	825410805	/nfs/dbraw/zinc/41/08/05/825410805.db2.gz	WSMLASUDUZVHLV-SKDRFNHKSA-N	0	1	269.297	-0.109	20	10		CBCDMN
OC[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@@H]1O	ZINC001233483024	825423653	/nfs/dbraw/zinc/42/36/53/825423653.db2.gz	LMJSGOOECAJAAD-ZJUUUORDSA-N	0	1	269.297	-0.022	20	10		CBCDMN
OC[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1O	ZINC001233483301	825424018	/nfs/dbraw/zinc/42/40/18/825424018.db2.gz	UZMFTDKVEANHQY-SDBXPKJASA-N	0	1	269.297	-0.022	20	10		CBCDMN
Nc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1	ZINC001335201298	888443714	/nfs/dbraw/zinc/44/37/14/888443714.db2.gz	IKEPJAXZPXRSDO-LBPRGKRZSA-N	0	1	292.339	-0.610	20	10		CBCDMN
Oc1cc2c(cc1CN1C[C@@H](O)[C@@H](O)C1)OCO2	ZINC000278302197	526336133	/nfs/dbraw/zinc/33/61/33/526336133.db2.gz	DLPQMMBSIMFMFL-AOOOYVTPSA-N	0	1	253.254	-0.342	20	10		CBCDMN
COc1ccc(N2CC[C@@H](NC(=O)C3(O)CNC3)C2)cc1	ZINC000852900840	583572357	/nfs/dbraw/zinc/57/23/57/583572357.db2.gz	SUMLXYJUQPMPGZ-LLVKDONJSA-N	0	1	291.351	-0.276	20	10		CBCDMN
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CO	ZINC001121925912	813090217	/nfs/dbraw/zinc/09/02/17/813090217.db2.gz	GMSASSFKQKTIRX-SNVBAGLBSA-N	0	1	265.313	-0.202	20	10		CBCDMN
NC(=O)[C@H]1CN(Cc2c(O)cc(O)cc2O)CCO1	ZINC001144514901	814776585	/nfs/dbraw/zinc/77/65/85/814776585.db2.gz	XBDQFAGCTWYIBY-LLVKDONJSA-N	0	1	268.269	-0.511	20	10		CBCDMN
O=C(NC[C@@H](O)CO)c1cc(O)c(O)c(Cl)c1	ZINC001193625610	824040806	/nfs/dbraw/zinc/04/08/06/824040806.db2.gz	KYSOYDBDVLQGEB-ZCFIWIBFSA-N	0	1	261.661	-0.166	20	10		CBCDMN
O=C(CNC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc([O-])c(O)c1	ZINC001220489852	825049126	/nfs/dbraw/zinc/04/91/26/825049126.db2.gz	JKWMNBIVXKSJJG-SKDRFNHKSA-N	0	1	280.280	-0.881	20	10		CBCDMN
N[C@H](CO)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC001341556297	889622902	/nfs/dbraw/zinc/62/29/02/889622902.db2.gz	YQMGJWXBMBBZOE-CYBMUJFWSA-N	0	1	279.340	-0.541	20	10		CBCDMN
C[C@@H](NC(=O)C1CNCCS1(=O)=O)c1ccccc1O	ZINC001342404606	889769657	/nfs/dbraw/zinc/76/96/57/889769657.db2.gz	KHDVFRGZTOJPNO-SKDRFNHKSA-N	0	1	298.364	-0.044	20	10		CBCDMN
Cc1ccc(C(=O)NCc2n[nH]c(CO)n2)c(O)c1O	ZINC001557594127	924122323	/nfs/dbraw/zinc/12/23/23/924122323.db2.gz	KPHWVCCFFZXXMM-UHFFFAOYSA-N	0	1	278.268	-0.053	20	10		CBCDMN
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nn[nH]n2)c1	ZINC000769871947	582337021	/nfs/dbraw/zinc/33/70/21/582337021.db2.gz	MFAVALJAZFODTQ-UHFFFAOYSA-N	0	1	298.284	-0.471	20	10		CBCDMN
NCC(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2	ZINC000830597347	582935024	/nfs/dbraw/zinc/93/50/24/582935024.db2.gz	FWRRYFXGWQLBCI-UHFFFAOYSA-N	0	1	291.351	-0.038	20	10		CBCDMN
COc1ccc(O)c([C@@H](C)NC(=O)C2(O)CNC2)c1	ZINC000852883198	583567737	/nfs/dbraw/zinc/56/77/37/583567737.db2.gz	CSYSXYCRXLDUIT-MRVPVSSYSA-N	0	1	266.297	-0.088	20	10		CBCDMN
COc1cc(C(=O)NCc2nn[nH]n2)cc(O)c1O	ZINC001193114500	824004825	/nfs/dbraw/zinc/00/48/25/824004825.db2.gz	SIVQACYCTUMUGZ-UHFFFAOYSA-N	0	1	265.229	-0.451	20	10		CBCDMN
[NH3+]C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1O	ZINC001206524993	824401540	/nfs/dbraw/zinc/40/15/40/824401540.db2.gz	FPVJQQGKMYIHFN-JQWIXIFHSA-N	0	1	266.297	-0.158	20	10		CBCDMN
O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cccc(O)c1O	ZINC001219626485	824862933	/nfs/dbraw/zinc/86/29/33/824862933.db2.gz	VFPWDQGSAAPTLZ-GXFFZTMASA-N	0	1	284.287	-0.110	20	10		CBCDMN
[NH3+]C1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1	ZINC001220489927	825048782	/nfs/dbraw/zinc/04/87/82/825048782.db2.gz	MJMHRKGSRSYTAB-UHFFFAOYSA-N	0	1	250.254	-0.112	20	10		CBCDMN
NC(=O)[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231454623	825411189	/nfs/dbraw/zinc/41/11/89/825411189.db2.gz	HEPDPPBNOKWPSN-NSHDSACASA-N	0	1	280.280	-0.224	20	10		CBCDMN
NC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231454623	825411191	/nfs/dbraw/zinc/41/11/91/825411191.db2.gz	HEPDPPBNOKWPSN-NSHDSACASA-N	0	1	280.280	-0.224	20	10		CBCDMN
[NH3+]CCS(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001238596774	825556544	/nfs/dbraw/zinc/55/65/44/825556544.db2.gz	PGRGWPFMJWOGGR-UHFFFAOYSA-N	0	1	274.298	-0.841	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1	ZINC001249177511	825748815	/nfs/dbraw/zinc/74/88/15/825748815.db2.gz	BOBAJFGYUCQGPL-JSGCOSHPSA-N	0	1	295.335	-0.107	20	10		CBCDMN
Nc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1	ZINC001329047913	885900449	/nfs/dbraw/zinc/90/04/49/885900449.db2.gz	IKEPJAXZPXRSDO-GFCCVEGCSA-N	0	1	292.339	-0.610	20	10		CBCDMN
COC[C@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1	ZINC001558339648	924164228	/nfs/dbraw/zinc/16/42/28/924164228.db2.gz	ITIAHMXBOGIQIJ-ZETCQYMHSA-N	0	1	279.256	-0.272	20	10		CBCDMN
CN1CCCc2cc(CNC(=O)CNC(=O)CN)ccc21	ZINC000274452833	352537761	/nfs/dbraw/zinc/53/77/61/352537761.db2.gz	SQWFBBSMVCQWEK-UHFFFAOYSA-N	0	1	290.367	-0.240	20	10		CBCDMN
CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(=O)CN	ZINC000125249797	351857130	/nfs/dbraw/zinc/85/71/30/351857130.db2.gz	KEADYTYPBYIWLN-UHFFFAOYSA-N	0	1	292.339	-0.447	20	10		CBCDMN
Oc1cc2c(cc1CN1C[C@H](O)[C@@H](O)C1)OCO2	ZINC000278302206	526336951	/nfs/dbraw/zinc/33/69/51/526336951.db2.gz	DLPQMMBSIMFMFL-UWVGGRQHSA-N	0	1	253.254	-0.342	20	10		CBCDMN
COC(=O)C[C@H](N)C(=O)NCc1ccc(OC)cc1O	ZINC000832177717	583015902	/nfs/dbraw/zinc/01/59/02/583015902.db2.gz	DLCGUFLKWLTFBE-JTQLQIEISA-N	0	1	282.296	-0.093	20	10		CBCDMN
O=C(NCCN1CC[C@H](O)C1)c1cccc(O)c1O	ZINC000863832883	583859315	/nfs/dbraw/zinc/85/93/15/583859315.db2.gz	IACYOPBOINDNEP-VIFPVBQESA-N	0	1	266.297	-0.106	20	10		CBCDMN
CN1CCN(c2ccc(CNC(=O)CC(N)=O)cc2)CC1	ZINC000881850674	584298757	/nfs/dbraw/zinc/29/87/57/584298757.db2.gz	BMLSGLJXAWVKGY-UHFFFAOYSA-N	0	1	290.367	-0.070	20	10		CBCDMN
O=C(NCCCc1nc(=O)[nH][nH]1)c1cccc(O)c1O	ZINC000193111205	656101540	/nfs/dbraw/zinc/10/15/40/656101540.db2.gz	LQDPCKDFAMXVJP-UHFFFAOYSA-N	0	1	278.268	-0.128	20	10		CBCDMN
CN(Cc1ccccc1O)C(=O)C(=O)N1CCNCC1	ZINC001325719651	804309234	/nfs/dbraw/zinc/30/92/34/804309234.db2.gz	ZKNSLYBAPOSFCZ-UHFFFAOYSA-N	0	1	277.324	-0.218	20	10		CBCDMN
C[C@H](NC(=O)C1CNCCS1(=O)=O)c1ccccc1O	ZINC001122191132	813130598	/nfs/dbraw/zinc/13/05/98/813130598.db2.gz	KHDVFRGZTOJPNO-JOYOIKCWSA-N	0	1	298.364	-0.044	20	10		CBCDMN
O=C(CN1CC[NH2+]CC1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220489952	825048048	/nfs/dbraw/zinc/04/80/48/825048048.db2.gz	NANIZXIODBJBBF-UHFFFAOYSA-N	0	1	293.323	-0.698	20	10		CBCDMN
O=C(CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc([O-])c(O)c1	ZINC001220489756	825048172	/nfs/dbraw/zinc/04/81/72/825048172.db2.gz	FSQJYMGUKWLOOI-WOFXILAISA-N	0	1	276.292	-0.138	20	10		CBCDMN
C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@@H](O)CO	ZINC001231562976	825411221	/nfs/dbraw/zinc/41/12/21/825411221.db2.gz	KVYUNRWFTWCUAL-SNVBAGLBSA-N	0	1	255.270	-0.125	20	10		CBCDMN
O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1	ZINC001231560156	825411365	/nfs/dbraw/zinc/41/13/65/825411365.db2.gz	AVCAOJANSPUGEP-PWSUYJOCSA-N	0	1	267.281	-0.125	20	10		CBCDMN
COC(=O)Cc1ccc(C[N@@H+](C)C[C@@H](O)CO)c(O)c1	ZINC001249178660	825748748	/nfs/dbraw/zinc/74/87/48/825748748.db2.gz	UMMRTSVDVNBAJS-GFCCVEGCSA-N	0	1	283.324	-0.107	20	10		CBCDMN
CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)cc1O	ZINC001260583013	826468615	/nfs/dbraw/zinc/46/86/15/826468615.db2.gz	IIOKINMJGKUQFE-UHFFFAOYSA-N	0	1	281.311	-0.158	20	10		CBCDMN
CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C(=O)[O-])cc2)CC1	ZINC001333184814	887555497	/nfs/dbraw/zinc/55/54/97/887555497.db2.gz	BDXRYCZXADMLMJ-CQSZACIVSA-N	0	1	293.367	-0.027	20	10		CBCDMN
COc1ccc(N2CCN(C(=O)[C@H](N)CO)CC2)cc1	ZINC001340138381	889396339	/nfs/dbraw/zinc/39/63/39/889396339.db2.gz	GMPYAXDZBWCKJG-CYBMUJFWSA-N	0	1	279.340	-0.337	20	10		CBCDMN
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CO	ZINC001340871530	889504729	/nfs/dbraw/zinc/50/47/29/889504729.db2.gz	HORIIPBOUOSSIU-GFCCVEGCSA-N	0	1	251.330	-0.003	20	10		CBCDMN
COC[C@@]1(C(=O)NCc2ccc(N)cc2)CNCCO1	ZINC001342698226	889818344	/nfs/dbraw/zinc/81/83/44/889818344.db2.gz	BNWPNKHKBQNQSP-CQSZACIVSA-N	0	1	279.340	-0.110	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)CNC(=O)CN)cc1	ZINC000040825919	522189899	/nfs/dbraw/zinc/18/98/99/522189899.db2.gz	DWSJFBNTYHAKKP-UHFFFAOYSA-N	0	1	264.329	-0.556	20	10		CBCDMN
Cc1ccc(NNC=C2C(=O)[N-]C(=S)NC2=O)[nH+]c1	ZINC000727489934	582141376	/nfs/dbraw/zinc/14/13/76/582141376.db2.gz	BSGDNQWZFSDEOP-UHFFFAOYSA-N	0	1	277.309	-0.279	20	10		CBCDMN
Cc1ccc[nH+]c1NNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000790103794	582390284	/nfs/dbraw/zinc/39/02/84/582390284.db2.gz	KROBAQXKHDTQDC-UHFFFAOYSA-N	0	1	277.309	-0.279	20	10		CBCDMN
CN(C)c1ccc(CNC(=O)CNC(CO)CO)cc1	ZINC000846935197	583393435	/nfs/dbraw/zinc/39/34/35/583393435.db2.gz	AESJGUCUXAOZFL-UHFFFAOYSA-N	0	1	281.356	-0.688	20	10		CBCDMN
COc1ccc(O)c([C@H](C)NC(=O)C2(O)CNC2)c1	ZINC000852883199	583567722	/nfs/dbraw/zinc/56/77/22/583567722.db2.gz	CSYSXYCRXLDUIT-QMMMGPOBSA-N	0	1	266.297	-0.088	20	10		CBCDMN
COC(=O)CNC(=O)CNCc1c(O)cccc1OC	ZINC000877706074	584184167	/nfs/dbraw/zinc/18/41/67/584184167.db2.gz	GKAIQFQQWZLKIL-UHFFFAOYSA-N	0	1	282.296	-0.220	20	10		CBCDMN
CN1CCN(c2ccc(CNC(=O)C(N)=O)cc2)CC1	ZINC000918838516	657839800	/nfs/dbraw/zinc/83/98/00/657839800.db2.gz	IAUWSEFMZVAEML-UHFFFAOYSA-N	0	1	276.340	-0.460	20	10		CBCDMN
O=C1CN(C2CN(Cc3c(O)cc(O)cc3O)C2)CCN1	ZINC001144514646	814776650	/nfs/dbraw/zinc/77/66/50/814776650.db2.gz	NENWEWKDIZMGNU-UHFFFAOYSA-N	0	1	293.323	-0.581	20	10		CBCDMN
O=C(CCc1ccc(O)c(O)c1)NCc1nn[nH]n1	ZINC001182155891	820881506	/nfs/dbraw/zinc/88/15/06/820881506.db2.gz	VERCQJKFNGTXON-UHFFFAOYSA-N	0	1	263.257	-0.140	20	10		CBCDMN
NC(=O)[C@@H](CO)NC(=O)c1cc(O)c(O)c(Cl)c1	ZINC001193625510	824040983	/nfs/dbraw/zinc/04/09/83/824040983.db2.gz	JLUKVJNLAYQFEE-ZCFIWIBFSA-N	0	1	274.660	-0.673	20	10		CBCDMN
NCC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1O	ZINC001219923305	824914496	/nfs/dbraw/zinc/91/44/96/824914496.db2.gz	HOFHKEFJTXISES-NSHDSACASA-N	0	1	277.324	-0.042	20	10		CBCDMN
CN1CC2(C1)CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2	ZINC001272972265	827855666	/nfs/dbraw/zinc/85/56/66/827855666.db2.gz	QJVBSFUDROUKBK-ZDUSSCGKSA-N	0	1	292.335	-0.225	20	10		CBCDMN
C[C@@H](NC(=O)C1CNCCS1(=O)=O)c1ccccc1O	ZINC001342404604	889771178	/nfs/dbraw/zinc/77/11/78/889771178.db2.gz	KHDVFRGZTOJPNO-BXKDBHETSA-N	0	1	298.364	-0.044	20	10		CBCDMN
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1nn[nH]n1	ZINC001454555226	914223645	/nfs/dbraw/zinc/22/36/45/914223645.db2.gz	SWZWARXAOQDAPY-MRVPVSSYSA-N	0	1	291.267	-0.175	20	10		CBCDMN
NC(=O)C1(O)CN(Cc2cc(F)cc(F)c2O)C1	ZINC001474691336	915901480	/nfs/dbraw/zinc/90/14/80/915901480.db2.gz	NFZMDSFXXQCTIB-UHFFFAOYSA-N	0	1	258.224	-0.298	20	10		CBCDMN
COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CO)C2)cc1	ZINC001521929756	922391778	/nfs/dbraw/zinc/39/17/78/922391778.db2.gz	FQIBETKOJHXURV-ZWNOBZJWSA-N	0	1	279.340	-0.290	20	10		CBCDMN
CNS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000790406027	582390925	/nfs/dbraw/zinc/39/09/25/582390925.db2.gz	AUHTZMRECHVCAL-UHFFFAOYSA-N	0	1	280.327	-0.328	20	10		CBCDMN
Nc1ccc(CC(=O)NCC(=O)N2CCNCC2)cc1	ZINC000832409681	583024363	/nfs/dbraw/zinc/02/43/63/583024363.db2.gz	LHGDNGYIAUWXLB-UHFFFAOYSA-N	0	1	276.340	-0.641	20	10		CBCDMN
COC[C@]1(C(=O)NCCc2ccc(N)cc2)CNCCO1	ZINC000876527912	584131468	/nfs/dbraw/zinc/13/14/68/584131468.db2.gz	HGMCXQPNZPYLBJ-HNNXBMFYSA-N	0	1	293.367	-0.068	20	10		CBCDMN
CC(C)(C)[NH2+]CCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000049253055	656019776	/nfs/dbraw/zinc/01/97/76/656019776.db2.gz	JSWUMNQZQJFDSI-UHFFFAOYSA-N	0	1	284.385	-0.231	20	10		CBCDMN