smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)c(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001236809491 916533136 /nfs/dbraw/zinc/53/31/36/916533136.db2.gz WHMXXINNMQMWSI-AWEZNQCLSA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001236809491 916533154 /nfs/dbraw/zinc/53/31/54/916533154.db2.gz WHMXXINNMQMWSI-AWEZNQCLSA-N 0 3 251.326 1.666 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138468926 936539686 /nfs/dbraw/zinc/53/96/86/936539686.db2.gz HNYYCQTVWAACOC-UHFFFAOYSA-N 0 3 289.335 1.924 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138468926 936539688 /nfs/dbraw/zinc/53/96/88/936539688.db2.gz HNYYCQTVWAACOC-UHFFFAOYSA-N 0 3 289.335 1.924 20 10 CDCDHN C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660481 936736523 /nfs/dbraw/zinc/73/65/23/936736523.db2.gz SXQYAXPYPPCLAJ-INIZCTEOSA-N 0 3 294.370 1.619 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(OC)c1 ZINC001141032332 936795611 /nfs/dbraw/zinc/79/56/11/936795611.db2.gz YOJCVUVKEOBVFK-QWRGUYRKSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c(OC)c1 ZINC001141032332 936795615 /nfs/dbraw/zinc/79/56/15/936795615.db2.gz YOJCVUVKEOBVFK-QWRGUYRKSA-N 0 3 281.352 1.612 20 10 CDCDHN C=CS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001198644509 925489167 /nfs/dbraw/zinc/48/91/67/925489167.db2.gz XOFJKSYRJDRYMI-UHFFFAOYSA-N 0 3 296.392 1.420 20 10 CDCDHN C=CS(=O)(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001198644509 925489173 /nfs/dbraw/zinc/48/91/73/925489173.db2.gz XOFJKSYRJDRYMI-UHFFFAOYSA-N 0 3 296.392 1.420 20 10 CDCDHN C[C@@H](NC/C=C/CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509405 927438781 /nfs/dbraw/zinc/43/87/81/927438781.db2.gz PPFATYCEVFCJDJ-YWVDXFKGSA-N 0 3 294.370 1.861 20 10 CDCDHN COCCOCN1CC2(C1)CN(Cc1ccccc1O)C2 ZINC001275267810 931718791 /nfs/dbraw/zinc/71/87/91/931718791.db2.gz XTSVXCURTIYTSI-UHFFFAOYSA-N 0 3 292.379 1.130 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@]1(C)O ZINC001144504373 931865245 /nfs/dbraw/zinc/86/52/45/931865245.db2.gz RHLFCZIEIBPQAH-BMIGLBTASA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@]1(C)O ZINC001144504373 931865246 /nfs/dbraw/zinc/86/52/46/931865246.db2.gz RHLFCZIEIBPQAH-BMIGLBTASA-N 0 3 281.352 1.786 20 10 CDCDHN Cc1ccc(C)c(CN2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001275965976 932175088 /nfs/dbraw/zinc/17/50/88/932175088.db2.gz WSNAVBXEPRFDEB-OKILXGFUSA-N 0 3 276.380 1.524 20 10 CDCDHN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC001148225062 932674378 /nfs/dbraw/zinc/67/43/78/932674378.db2.gz CUYGALHDZJLCNT-AAEUAGOBSA-N 0 3 292.379 1.946 20 10 CDCDHN CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC001148225062 932674381 /nfs/dbraw/zinc/67/43/81/932674381.db2.gz CUYGALHDZJLCNT-AAEUAGOBSA-N 0 3 292.379 1.946 20 10 CDCDHN [NH3+]C[C@@]1(F)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001157765722 938543028 /nfs/dbraw/zinc/54/30/28/938543028.db2.gz UTAYBTARQRCSBS-CQSZACIVSA-N 0 3 282.315 1.391 20 10 CDCDHN COCCCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203627497 939697926 /nfs/dbraw/zinc/69/79/26/939697926.db2.gz HASACAXQQDAMTP-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC12CC2 ZINC001203635388 939698918 /nfs/dbraw/zinc/69/89/18/939698918.db2.gz RYNPDLSLPIMOOC-CYBMUJFWSA-N 0 3 291.347 1.786 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC12CC2 ZINC001203635388 939698919 /nfs/dbraw/zinc/69/89/19/939698919.db2.gz RYNPDLSLPIMOOC-CYBMUJFWSA-N 0 3 291.347 1.786 20 10 CDCDHN CN1C(=O)CC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203883737 939712014 /nfs/dbraw/zinc/71/20/14/939712014.db2.gz MWBRHPMEMZCIOB-STQMWFEESA-N 0 3 290.363 1.541 20 10 CDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001204277356 939750722 /nfs/dbraw/zinc/75/07/22/939750722.db2.gz BFLAXITWUWZSQZ-LBPRGKRZSA-N 0 3 279.336 1.825 20 10 CDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001204277356 939750724 /nfs/dbraw/zinc/75/07/24/939750724.db2.gz BFLAXITWUWZSQZ-LBPRGKRZSA-N 0 3 279.336 1.825 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@]1(C)O ZINC001204276539 939751351 /nfs/dbraw/zinc/75/13/51/939751351.db2.gz MMIXXIWHJZEIBC-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@]1(C)O ZINC001204276539 939751352 /nfs/dbraw/zinc/75/13/52/939751352.db2.gz MMIXXIWHJZEIBC-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN C[N@H+](CCC1OCCO1)Cc1ccc(O)cc1[O-] ZINC001204278676 939751422 /nfs/dbraw/zinc/75/14/22/939751422.db2.gz HWXNEQVTXPMNNQ-UHFFFAOYSA-N 0 3 253.298 1.293 20 10 CDCDHN C[N@@H+](CCC1OCCO1)Cc1ccc(O)cc1[O-] ZINC001204278676 939751424 /nfs/dbraw/zinc/75/14/24/939751424.db2.gz HWXNEQVTXPMNNQ-UHFFFAOYSA-N 0 3 253.298 1.293 20 10 CDCDHN [NH3+]CC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205047171 939818349 /nfs/dbraw/zinc/81/83/49/939818349.db2.gz PWHADWBWMSIFQT-UHFFFAOYSA-N 0 3 264.325 1.261 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000190059456 941346230 /nfs/dbraw/zinc/34/62/30/941346230.db2.gz NPCMFAJIIIHOTE-GWCFXTLKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000190059456 941346232 /nfs/dbraw/zinc/34/62/32/941346232.db2.gz NPCMFAJIIIHOTE-GWCFXTLKSA-N 0 3 251.326 1.604 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001231586157 942935903 /nfs/dbraw/zinc/93/59/03/942935903.db2.gz CGOZMEVPLZVLCD-WBMJQRKESA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001231586157 942935906 /nfs/dbraw/zinc/93/59/06/942935906.db2.gz CGOZMEVPLZVLCD-WBMJQRKESA-N 0 3 273.332 1.330 20 10 CDCDHN COc1cc(CN2CCC[C@@H](O)C2)c(O)cc1O ZINC001231635334 942947334 /nfs/dbraw/zinc/94/73/34/942947334.db2.gz WSPYWVIUSIQZKH-SNVBAGLBSA-N 0 3 253.298 1.063 20 10 CDCDHN COC(=O)CCN(C)Cc1ccc(N(C)C)cc1OC ZINC001231854313 943030250 /nfs/dbraw/zinc/03/02/50/943030250.db2.gz CKNVYGFJDLYFEX-UHFFFAOYSA-N 0 3 280.368 1.756 20 10 CDCDHN Oc1cc(O)c(CN2CCc3nccn3CC2)cc1O ZINC001233486179 943594471 /nfs/dbraw/zinc/59/44/71/943594471.db2.gz BNFSHPVKVMHTLG-UHFFFAOYSA-N 0 3 275.308 1.058 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c([O-])c1 ZINC001237050142 944646627 /nfs/dbraw/zinc/64/66/27/944646627.db2.gz QFVHKPVOGDIGIZ-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCOC[C@](C)(O)C2)c([O-])c1 ZINC001237050142 944646631 /nfs/dbraw/zinc/64/66/31/944646631.db2.gz QFVHKPVOGDIGIZ-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(CN2CCOC[C@](C)(O)C2)c(O)c1 ZINC001237050142 944646635 /nfs/dbraw/zinc/64/66/35/944646635.db2.gz QFVHKPVOGDIGIZ-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001237681018 944923795 /nfs/dbraw/zinc/92/37/95/944923795.db2.gz KJLXFBWHYTULFT-DZGCQCFKSA-N 0 3 299.798 1.919 20 10 CDCDHN CCN(CC)CC(=O)NCc1cc(O)ccc1O ZINC001303223136 956065770 /nfs/dbraw/zinc/06/57/70/956065770.db2.gz BQFCKQYYPOMDNT-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN COc1cccc(O)c1CN[C@H](CO)CC(F)(F)F ZINC001331961664 957365141 /nfs/dbraw/zinc/36/51/41/957365141.db2.gz YMYODRLDLMPCPG-QMMMGPOBSA-N 0 3 279.258 1.804 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000217853035 398207488 /nfs/dbraw/zinc/20/74/88/398207488.db2.gz TYXUEXMCBKXBCZ-ZDUSSCGKSA-N 0 3 255.383 1.904 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000092189095 342407619 /nfs/dbraw/zinc/40/76/19/342407619.db2.gz SUOQLLVDLHHTLL-CQSZACIVSA-N 0 3 289.379 1.690 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000092189095 342407620 /nfs/dbraw/zinc/40/76/20/342407620.db2.gz SUOQLLVDLHHTLL-CQSZACIVSA-N 0 3 289.379 1.690 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C2CCC(O)CC2)c1 ZINC000020089679 356525333 /nfs/dbraw/zinc/52/53/33/356525333.db2.gz RBMHWWYRSJIRNF-UHFFFAOYSA-N 0 3 251.326 1.794 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180865329 357291785 /nfs/dbraw/zinc/29/17/85/357291785.db2.gz SJOGUTFUZKKDHW-QWRGUYRKSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180865329 357291788 /nfs/dbraw/zinc/29/17/88/357291788.db2.gz SJOGUTFUZKKDHW-QWRGUYRKSA-N 0 3 281.352 1.612 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000192805193 358238204 /nfs/dbraw/zinc/23/82/04/358238204.db2.gz OXPIJWPPFZOZKK-HUUCEWRRSA-N 0 3 291.439 1.640 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000113350571 359395569 /nfs/dbraw/zinc/39/55/69/359395569.db2.gz GDLNTAUBHWPOCT-JTQLQIEISA-N 0 3 257.355 1.305 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](OC)C2CC2)cc1OC ZINC000293562539 370689627 /nfs/dbraw/zinc/68/96/27/370689627.db2.gz GFFLQHDSCQVCHH-OAHLLOKOSA-N 0 3 281.352 1.924 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCOC2)cc1C ZINC000269974742 364407976 /nfs/dbraw/zinc/40/79/76/364407976.db2.gz LTGRBPYJJIEKLB-CQSZACIVSA-N 0 3 251.326 1.250 20 10 CDCDHN OCCO[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000271213444 364975815 /nfs/dbraw/zinc/97/58/15/364975815.db2.gz ZEQITEACSFDSCD-LBPRGKRZSA-N 0 3 295.335 1.094 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271732872 364996639 /nfs/dbraw/zinc/99/66/39/364996639.db2.gz NOPWDCBSDPZZJP-SNVBAGLBSA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271732872 364996646 /nfs/dbraw/zinc/99/66/46/364996646.db2.gz NOPWDCBSDPZZJP-SNVBAGLBSA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000271732872 364996648 /nfs/dbraw/zinc/99/66/48/364996648.db2.gz NOPWDCBSDPZZJP-SNVBAGLBSA-N 0 3 265.309 1.396 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)NCCF)c1 ZINC000282652768 367976890 /nfs/dbraw/zinc/97/68/90/367976890.db2.gz LIPXEXVWPSCBQE-JTQLQIEISA-N 0 3 284.331 1.355 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1 ZINC000530228162 368151575 /nfs/dbraw/zinc/15/15/75/368151575.db2.gz YCUHKWLPBQQEPF-NEPJUHHUSA-N 0 3 250.342 1.340 20 10 CDCDHN Cc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000294019485 371351513 /nfs/dbraw/zinc/35/15/13/371351513.db2.gz UUPYCMWZOYQOHH-JQWIXIFHSA-N 0 3 269.366 1.366 20 10 CDCDHN NC(=O)CC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297297742 371979555 /nfs/dbraw/zinc/97/95/55/371979555.db2.gz BGZWEHXOUCSQDA-UHFFFAOYSA-N 0 3 287.407 1.984 20 10 CDCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H](C)CO ZINC000293666093 378597149 /nfs/dbraw/zinc/59/71/49/378597149.db2.gz OKTIJVKYCOLWOJ-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H](C)CO ZINC000293666093 378597153 /nfs/dbraw/zinc/59/71/53/378597153.db2.gz OKTIJVKYCOLWOJ-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN Cc1cc(CN2CCO[C@@H](CN(C)C)C2)ccc1N(C)C ZINC000293023008 291890876 /nfs/dbraw/zinc/89/08/76/291890876.db2.gz IJOYEQQMNIMJRR-INIZCTEOSA-N 0 3 291.439 1.823 20 10 CDCDHN CCOc1cccc(C[NH2+]CCSCCCO)c1[O-] ZINC000105643352 391065303 /nfs/dbraw/zinc/06/53/03/391065303.db2.gz HBGGAZATNQFIDB-UHFFFAOYSA-N 0 3 285.409 1.996 20 10 CDCDHN COc1cccc(CN2CCC[C@H](n3cncn3)C2)c1O ZINC000179468646 391206600 /nfs/dbraw/zinc/20/66/00/391206600.db2.gz JEQRBJNJVCBRCW-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN Nc1ccc(CC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000375957539 391207934 /nfs/dbraw/zinc/20/79/34/391207934.db2.gz LUMJARIYMBKUEM-KRWDZBQOSA-N 0 3 295.386 1.815 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183516242 391265516 /nfs/dbraw/zinc/26/55/16/391265516.db2.gz ABVFVJWWPODVMB-BXUZGUMPSA-N 0 3 253.342 1.830 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183516228 391266211 /nfs/dbraw/zinc/26/62/11/391266211.db2.gz ABVFVJWWPODVMB-SMDDNHRTSA-N 0 3 253.342 1.830 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186203490 262084401 /nfs/dbraw/zinc/08/44/01/262084401.db2.gz ANBAXSPDMFCXHQ-ONGXEEELSA-N 0 3 257.305 1.579 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185468088 262305290 /nfs/dbraw/zinc/30/52/90/262305290.db2.gz PSTPIJNVSOWHDJ-YGRLFVJLSA-N 0 3 271.332 1.969 20 10 CDCDHN Cc1cccc(CN(CC(N)=O)CC(C)C)c1O ZINC000124539608 281215626 /nfs/dbraw/zinc/21/56/26/281215626.db2.gz ZKKQGVVXTRHJDP-UHFFFAOYSA-N 0 3 250.342 1.644 20 10 CDCDHN CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)NC)c1[O-] ZINC000093899056 327146210 /nfs/dbraw/zinc/14/62/10/327146210.db2.gz GTIUKELDIZMDGV-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)C[C@H](C)C(=O)NC)c1[O-] ZINC000093899056 327146211 /nfs/dbraw/zinc/14/62/11/327146211.db2.gz GTIUKELDIZMDGV-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(F)CCNC1 ZINC000178711208 329202769 /nfs/dbraw/zinc/20/27/69/329202769.db2.gz HHHDNSIHSLHGKM-INIZCTEOSA-N 0 3 291.370 1.605 20 10 CDCDHN Cc1cccc(CN2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179726354 329208264 /nfs/dbraw/zinc/20/82/64/329208264.db2.gz AZQKDKSWORIKMA-AWEZNQCLSA-N 0 3 274.364 1.944 20 10 CDCDHN Cc1ccc(O)c(CN[C@@H](C)CS(C)(=O)=O)c1 ZINC000078639589 330327086 /nfs/dbraw/zinc/32/70/86/330327086.db2.gz KPCSSEJCDNSAOK-JTQLQIEISA-N 0 3 257.355 1.223 20 10 CDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1cn[nH]c1 ZINC000229884900 333310709 /nfs/dbraw/zinc/31/07/09/333310709.db2.gz ZBGJRXPFDLOVNX-QMMMGPOBSA-N 0 3 261.281 1.695 20 10 CDCDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000279907015 519538937 /nfs/dbraw/zinc/53/89/37/519538937.db2.gz WKOOZCJJUYZZBH-LBPRGKRZSA-N 0 3 280.343 1.879 20 10 CDCDHN CCOc1ccc(O)c(CN2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC000277407368 521146421 /nfs/dbraw/zinc/14/64/21/521146421.db2.gz ZKBJNUGVNYDPHR-GASCZTMLSA-N 0 3 281.352 1.637 20 10 CDCDHN CCOc1cccc(CN2CCO[C@H](CN(C)C)C2)c1O ZINC000128223802 521340787 /nfs/dbraw/zinc/34/07/87/521340787.db2.gz SECFRWSHPAQPCC-CQSZACIVSA-N 0 3 294.395 1.553 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2(C)COC2)c1[O-] ZINC000083523036 521361821 /nfs/dbraw/zinc/36/18/21/521361821.db2.gz OHHMXHZDCCFXSW-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1cccc(C[NH2+]CCOCCOC)c1[O-] ZINC000044693542 521364741 /nfs/dbraw/zinc/36/47/41/521364741.db2.gz JEJMZPUWFVXTPS-UHFFFAOYSA-N 0 3 269.341 1.544 20 10 CDCDHN CC[C@H]([NH2+]CCOCCO)c1ccc(C)cc1[O-] ZINC000279950000 522595659 /nfs/dbraw/zinc/59/56/59/522595659.db2.gz BSIXWMYOESWFLP-ZDUSSCGKSA-N 0 3 253.342 1.750 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068801418 522620816 /nfs/dbraw/zinc/62/08/16/522620816.db2.gz SEICTMSSDSEJQC-HIFRSBDPSA-N 0 3 277.412 1.679 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@H]3CCCCN3)ccc21 ZINC000237129055 523862102 /nfs/dbraw/zinc/86/21/02/523862102.db2.gz SXWKEYYQZFPCSX-OAHLLOKOSA-N 0 3 287.407 1.827 20 10 CDCDHN C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880245 524600577 /nfs/dbraw/zinc/60/05/77/524600577.db2.gz KXBVKFSRXUFNGH-JTQLQIEISA-N 0 3 292.335 1.221 20 10 CDCDHN C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccccc1[O-] ZINC000280923882 525405366 /nfs/dbraw/zinc/40/53/66/525405366.db2.gz RHGLFDDILWXPAQ-RWMBFGLXSA-N 0 3 265.353 1.688 20 10 CDCDHN CCOc1ccc(C[NH2+]CCC[S@@](C)=O)c([O-])c1 ZINC000735084891 575422814 /nfs/dbraw/zinc/42/28/14/575422814.db2.gz AIXMKVRTFGYFMD-GOSISDBHSA-N 0 3 271.382 1.649 20 10 CDCDHN CCN(C)c1ccc(CN(C)CC(C)(CO)CO)cc1 ZINC000773765443 575838347 /nfs/dbraw/zinc/83/83/47/575838347.db2.gz KAYNIEUJEUDQRU-UHFFFAOYSA-N 0 3 280.412 1.565 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1C3CCC1CC3)[C@@H](O)CO2 ZINC000768442439 576283407 /nfs/dbraw/zinc/28/34/07/576283407.db2.gz WEZKPFUVWUHCOY-MGULZYLOSA-N 0 3 261.321 1.945 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000757926752 577061529 /nfs/dbraw/zinc/06/15/29/577061529.db2.gz NTKYYQDJKZYJQZ-CQSZACIVSA-N 0 3 285.315 1.589 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894380818 618837309 /nfs/dbraw/zinc/83/73/09/618837309.db2.gz AFZZRGPLKIWUOV-JTQLQIEISA-N 0 3 266.341 1.323 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000894778917 619054476 /nfs/dbraw/zinc/05/44/76/619054476.db2.gz VERKAEAWRVSAIG-VIFPVBQESA-N 0 3 276.340 1.987 20 10 CDCDHN CCOc1cccc(CN[C@@H]2C(=O)NCC2(C)C)c1O ZINC000895317450 619545548 /nfs/dbraw/zinc/54/55/48/619545548.db2.gz OHVIHZSTWKASBS-CYBMUJFWSA-N 0 3 278.352 1.405 20 10 CDCDHN CCNC(=O)CNCc1ccc(N(CC)CC)cc1 ZINC000035134181 620981102 /nfs/dbraw/zinc/98/11/02/620981102.db2.gz LNNMXNPWWGJYPM-UHFFFAOYSA-N 0 3 263.385 1.759 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(O)cc1O)N(C)C ZINC000910951614 629115651 /nfs/dbraw/zinc/11/56/51/629115651.db2.gz VFNNBIYMRWFARG-NSHDSACASA-N 0 3 252.314 1.054 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)CCOCCO)c([O-])c1 ZINC000800532310 679093473 /nfs/dbraw/zinc/09/34/73/679093473.db2.gz UJRKNNQXJWEWSU-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)CCOCCO)c([O-])c1 ZINC000800532310 679093478 /nfs/dbraw/zinc/09/34/78/679093478.db2.gz UJRKNNQXJWEWSU-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN Cc1ccc(CN(C)[C@H]2CCCCNC2=O)c(O)c1 ZINC000876654646 677737819 /nfs/dbraw/zinc/73/78/19/677737819.db2.gz LFLFIMKQDZVOSM-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(CO)(CO)CC2)c([O-])c1 ZINC000877796711 677821842 /nfs/dbraw/zinc/82/18/42/677821842.db2.gz USVQKGFVNFFVIB-UHFFFAOYSA-N 0 3 265.353 1.267 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCSC1 ZINC000877082639 677765750 /nfs/dbraw/zinc/76/57/50/677765750.db2.gz ZWJIXHUDCUTLFC-CYBMUJFWSA-N 0 3 253.367 1.658 20 10 CDCDHN COc1cccc(CNC(=O)[C@@H]2CCCN2C(C)C)c1O ZINC000934940143 677771605 /nfs/dbraw/zinc/77/16/05/677771605.db2.gz IZVCCYZUQJLTIK-ZDUSSCGKSA-N 0 3 292.379 1.890 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000128343916 677842534 /nfs/dbraw/zinc/84/25/34/677842534.db2.gz OQTFDKYTENSPBV-NXEZZACHSA-N 0 3 252.745 1.697 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000877099262 677881682 /nfs/dbraw/zinc/88/16/82/677881682.db2.gz DUXVZDYOIDJVLG-DOMZBBRYSA-N 0 3 264.369 1.509 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000323552170 677966134 /nfs/dbraw/zinc/96/61/34/677966134.db2.gz OWULWPYTRLGYEV-HUUCEWRRSA-N 0 3 264.369 1.382 20 10 CDCDHN Cc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000876922230 678058213 /nfs/dbraw/zinc/05/82/13/678058213.db2.gz UJBQZQVQVIUHJX-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1[O-] ZINC000843378043 678062016 /nfs/dbraw/zinc/06/20/16/678062016.db2.gz YGVLLOKNUTYAEP-UWVGGRQHSA-N 0 3 280.343 1.916 20 10 CDCDHN CC(C)OCC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000788274574 677793352 /nfs/dbraw/zinc/79/33/52/677793352.db2.gz JDCPHAZHTOCKFL-CQSZACIVSA-N 0 3 267.369 2.000 20 10 CDCDHN CC(C)OCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000788274574 677793353 /nfs/dbraw/zinc/79/33/53/677793353.db2.gz JDCPHAZHTOCKFL-CQSZACIVSA-N 0 3 267.369 2.000 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)C1CCC1 ZINC000829764567 677834871 /nfs/dbraw/zinc/83/48/71/677834871.db2.gz OZMAYRQEICTSRR-OAHLLOKOSA-N 0 3 275.396 1.805 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccccc1[O-] ZINC000879649260 678033079 /nfs/dbraw/zinc/03/30/79/678033079.db2.gz OOJDXXJOFOUOCT-NEPJUHHUSA-N 0 3 261.325 1.300 20 10 CDCDHN Nc1cnccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000882915118 678049379 /nfs/dbraw/zinc/04/93/79/678049379.db2.gz HVHJAOZNYOSMSN-UHFFFAOYSA-N 0 3 298.390 1.790 20 10 CDCDHN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000783507651 678113694 /nfs/dbraw/zinc/11/36/94/678113694.db2.gz CVYDOBVYQFQNRI-STQMWFEESA-N 0 3 264.369 1.764 20 10 CDCDHN COCC[C@H](N)C(=O)NCCCSc1nccs1 ZINC000884138785 678159521 /nfs/dbraw/zinc/15/95/21/678159521.db2.gz ZGDWGJBSKHGYAB-VIFPVBQESA-N 0 3 289.426 1.105 20 10 CDCDHN [NH3+]C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843048734 678215166 /nfs/dbraw/zinc/21/51/66/678215166.db2.gz UXQDTTMFLIQZRX-VIFPVBQESA-N 0 3 285.185 1.935 20 10 CDCDHN CC[C@@]1(O)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000779218554 678282712 /nfs/dbraw/zinc/28/27/12/678282712.db2.gz GTRBAELMAYVVAJ-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@@]1(O)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000779218554 678282715 /nfs/dbraw/zinc/28/27/15/678282715.db2.gz GTRBAELMAYVVAJ-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702636417 678409494 /nfs/dbraw/zinc/40/94/94/678409494.db2.gz MLGNNQPIQRSVOU-UKRRQHHQSA-N 0 3 264.369 1.500 20 10 CDCDHN O=C1NCCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840826813 678425539 /nfs/dbraw/zinc/42/55/39/678425539.db2.gz WJMULGDGIFOMGZ-NWDGAFQWSA-N 0 3 260.337 1.495 20 10 CDCDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843379675 678543973 /nfs/dbraw/zinc/54/39/73/678543973.db2.gz ISJVRTZJEDZLNQ-STQMWFEESA-N 0 3 298.333 1.866 20 10 CDCDHN COc1cccc(O)c1CN1CCC(F)(F)[C@H](CO)C1 ZINC000812775153 678781029 /nfs/dbraw/zinc/78/10/29/678781029.db2.gz HNNZGSKMDGGCTH-JTQLQIEISA-N 0 3 287.306 1.850 20 10 CDCDHN COC(=O)c1cc(C[NH2+]Cc2ccccc2[O-])cn1C ZINC000809612378 678825032 /nfs/dbraw/zinc/82/50/32/678825032.db2.gz KEAFTRZWUMQDIN-UHFFFAOYSA-N 0 3 274.320 1.807 20 10 CDCDHN C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140057703 1158540343 /nfs/dbraw/zinc/54/03/43/1158540343.db2.gz KTUYEFSPYVHERQ-KBPBESRZSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140057703 1158540349 /nfs/dbraw/zinc/54/03/49/1158540349.db2.gz KTUYEFSPYVHERQ-KBPBESRZSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)CN(Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140057703 1158540353 /nfs/dbraw/zinc/54/03/53/1158540353.db2.gz KTUYEFSPYVHERQ-KBPBESRZSA-N 0 3 269.316 1.097 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccccc1[O-] ZINC000858580380 678939480 /nfs/dbraw/zinc/93/94/80/678939480.db2.gz ZCDRWAXVIUNTAT-CMPLNLGQSA-N 0 3 266.341 1.841 20 10 CDCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC(=O)N1 ZINC000834907711 678947628 /nfs/dbraw/zinc/94/76/28/678947628.db2.gz AJOLTMVIWJCHJA-XHDPSFHLSA-N 0 3 260.337 1.638 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)CCSCC1 ZINC000839181628 678978467 /nfs/dbraw/zinc/97/84/67/678978467.db2.gz KDIYKINJHUIKJM-UHFFFAOYSA-N 0 3 271.357 1.879 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000790756946 678987294 /nfs/dbraw/zinc/98/72/94/678987294.db2.gz INYDWZUJQWCZLC-KBPBESRZSA-N 0 3 297.395 1.765 20 10 CDCDHN COc1ccc(O)c(CN(C)[C@H](CO)COC(C)C)c1 ZINC000809768246 679031054 /nfs/dbraw/zinc/03/10/54/679031054.db2.gz GFIYZQGTURVMNY-CYBMUJFWSA-N 0 3 283.368 1.619 20 10 CDCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165421660 679082265 /nfs/dbraw/zinc/08/22/65/679082265.db2.gz LWEHSMACLSTHAQ-LLVKDONJSA-N 0 3 279.409 1.203 20 10 CDCDHN CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795748598 679091156 /nfs/dbraw/zinc/09/11/56/679091156.db2.gz DAKNYLGHUHZPMR-NOZJJQNGSA-N 0 3 267.325 1.285 20 10 CDCDHN CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795748598 679091164 /nfs/dbraw/zinc/09/11/64/679091164.db2.gz DAKNYLGHUHZPMR-NOZJJQNGSA-N 0 3 267.325 1.285 20 10 CDCDHN COC[C@]1(CN[C@H](C)c2ccc(F)cc2[O-])CCC[NH2+]1 ZINC000817973026 679126512 /nfs/dbraw/zinc/12/65/12/679126512.db2.gz BAYOTWRREKIORA-IAQYHMDHSA-N 0 3 282.359 1.951 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000848928442 679189544 /nfs/dbraw/zinc/18/95/44/679189544.db2.gz DJNOBGRTAJJTHP-SNVBAGLBSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000848928442 679189546 /nfs/dbraw/zinc/18/95/46/679189546.db2.gz DJNOBGRTAJJTHP-SNVBAGLBSA-N 0 3 251.326 1.746 20 10 CDCDHN CC[S@@](=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310229416 679191481 /nfs/dbraw/zinc/19/14/81/679191481.db2.gz GSLJYKZUQKZJTN-APPDUMDISA-N 0 3 253.367 1.738 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCN(C)C2)cc1Cl ZINC000825520228 679199865 /nfs/dbraw/zinc/19/98/65/679199865.db2.gz XFALHSYNDCPWPD-CQSZACIVSA-N 0 3 284.787 1.510 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN2CCCC2=O)c([O-])c1 ZINC000846077067 679419623 /nfs/dbraw/zinc/41/96/23/679419623.db2.gz LLQHHKAGIZHLLC-UHFFFAOYSA-N 0 3 278.352 1.503 20 10 CDCDHN C[C@@H](Nc1nc(N)nc(N)n1)c1ccc(N(C)C)cc1 ZINC000858488377 679483815 /nfs/dbraw/zinc/48/38/15/679483815.db2.gz RVBRXZCJBSRUJU-MRVPVSSYSA-N 0 3 273.344 1.275 20 10 CDCDHN O=C1NCCCC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000921525039 679520728 /nfs/dbraw/zinc/52/07/28/679520728.db2.gz JXEICSAWEIMPJJ-AWEZNQCLSA-N 0 3 274.364 1.770 20 10 CDCDHN CCCN(CC(=O)NC)Cc1cc(C)c(C)cc1O ZINC000092381636 679628178 /nfs/dbraw/zinc/62/81/78/679628178.db2.gz JZSFNHHQBWRUBX-UHFFFAOYSA-N 0 3 264.369 1.967 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCCNC[C@@H]2C(=O)[O-])c1O ZINC001605704219 1163646926 /nfs/dbraw/zinc/64/69/26/1163646926.db2.gz CRFZJMURDJOYKJ-GFCCVEGCSA-N 0 3 294.351 1.039 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCCNC[C@@H]2C(=O)[O-])c1O ZINC001605704219 1163646930 /nfs/dbraw/zinc/64/69/30/1163646930.db2.gz CRFZJMURDJOYKJ-GFCCVEGCSA-N 0 3 294.351 1.039 20 10 CDCDHN CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001576384286 1171409851 /nfs/dbraw/zinc/40/98/51/1171409851.db2.gz PQCDXZGRZDPKSR-GDLCADMTSA-N 0 3 290.363 1.604 20 10 CDCDHN C[NH+](C)CCN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461683 896166764 /nfs/dbraw/zinc/16/67/64/896166764.db2.gz QVKMEGPGAMYQMN-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN O=C1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C1CC1 ZINC001172003217 911070501 /nfs/dbraw/zinc/07/05/01/911070501.db2.gz UJIBMHDXYSBUKS-NSHDSACASA-N 0 3 276.336 1.341 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001204279206 916614904 /nfs/dbraw/zinc/61/49/04/916614904.db2.gz SPWOGBVXPGWEHW-UHFFFAOYSA-N 0 3 280.343 1.716 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001203620754 919676824 /nfs/dbraw/zinc/67/68/24/919676824.db2.gz HNKRPCIUMWYJQZ-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001203620754 919676834 /nfs/dbraw/zinc/67/68/34/919676834.db2.gz HNKRPCIUMWYJQZ-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060131 936675477 /nfs/dbraw/zinc/67/54/77/936675477.db2.gz LXCYQURGOQHDCO-CYBMUJFWSA-N 0 3 266.316 1.584 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060131 936675478 /nfs/dbraw/zinc/67/54/78/936675478.db2.gz LXCYQURGOQHDCO-CYBMUJFWSA-N 0 3 266.316 1.584 20 10 CDCDHN Cc1c(O)ccc(CN2CCN(C(C)C)CC2)c1O ZINC001140741825 936748348 /nfs/dbraw/zinc/74/83/48/936748348.db2.gz CZYAJHGUEUBAIO-UHFFFAOYSA-N 0 3 264.369 1.932 20 10 CDCDHN Oc1cccc(F)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC001137831822 922461862 /nfs/dbraw/zinc/46/18/62/922461862.db2.gz OWIDEDRPCBKIHJ-GFCCVEGCSA-N 0 3 280.343 1.438 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000689527655 936762333 /nfs/dbraw/zinc/76/23/33/936762333.db2.gz XORMSSCBWDULOR-SNVBAGLBSA-N 0 3 252.314 1.741 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031255 936794666 /nfs/dbraw/zinc/79/46/66/936794666.db2.gz AGWVFTMBSNUGDY-GXFFZTMASA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031255 936794668 /nfs/dbraw/zinc/79/46/68/936794668.db2.gz AGWVFTMBSNUGDY-GXFFZTMASA-N 0 3 281.352 1.612 20 10 CDCDHN Cc1noc(C2CN(Cc3cccc(C)c3O)C2)n1 ZINC000839130932 936906229 /nfs/dbraw/zinc/90/62/29/936906229.db2.gz IUDFWBKZCCIFAR-UHFFFAOYSA-N 0 3 259.309 1.991 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC001169326672 927957045 /nfs/dbraw/zinc/95/70/45/927957045.db2.gz MCTBEYLWYXXHSC-TZMCWYRMSA-N 0 3 279.336 1.593 20 10 CDCDHN CN1C[C@@H]2CC[N@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001276354324 935042123 /nfs/dbraw/zinc/04/21/23/935042123.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN CN1C[C@@H]2CC[N@@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001276354324 935042130 /nfs/dbraw/zinc/04/21/30/935042130.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN C[N@@H+]1C[C@@H]2CCN(Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001276354324 935042137 /nfs/dbraw/zinc/04/21/37/935042137.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN C[N@H+]1C[C@@H]2CCN(Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001276354324 935042146 /nfs/dbraw/zinc/04/21/46/935042146.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc(C)n2C)c([O-])c1 ZINC000689211806 936083659 /nfs/dbraw/zinc/08/36/59/936083659.db2.gz OGKIUXIAALAVLM-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001203621031 939697069 /nfs/dbraw/zinc/69/70/69/939697069.db2.gz OMOLIXDGDNMBQE-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001203621031 939697071 /nfs/dbraw/zinc/69/70/71/939697071.db2.gz OMOLIXDGDNMBQE-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001203621022 939697440 /nfs/dbraw/zinc/69/74/40/939697440.db2.gz NZRFTCJLKUTVQZ-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001203621022 939697442 /nfs/dbraw/zinc/69/74/42/939697442.db2.gz NZRFTCJLKUTVQZ-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](F)[C@@H](O)C2)c1 ZINC001203670394 939700288 /nfs/dbraw/zinc/70/02/88/939700288.db2.gz QODYHIZVCYYAED-AAEUAGOBSA-N 0 3 255.289 1.306 20 10 CDCDHN Oc1ccc(CN2CCC[C@](O)(CF)CC2)cc1O ZINC001203875903 939710353 /nfs/dbraw/zinc/71/03/53/939710353.db2.gz YJFVQEFVZGBVFP-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN OC[C@@]1(F)CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874904 939710608 /nfs/dbraw/zinc/71/06/08/939710608.db2.gz DYGRQHKGBRCUCU-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN CCN(CCn1ccnc1)Cc1ccc(O)c(O)c1 ZINC001203880875 939711344 /nfs/dbraw/zinc/71/13/44/939711344.db2.gz JLRRZJZJVSIMSO-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(O)cc2[O-])C(C)C)C1 ZINC001204277380 939751562 /nfs/dbraw/zinc/75/15/62/939751562.db2.gz BXDNFUMLDPAUJK-AWEZNQCLSA-N 0 3 292.379 1.929 20 10 CDCDHN CC(=O)N1CC[C@H]([N@H+](Cc2ccc(O)cc2[O-])C(C)C)C1 ZINC001204277380 939751565 /nfs/dbraw/zinc/75/15/65/939751565.db2.gz BXDNFUMLDPAUJK-AWEZNQCLSA-N 0 3 292.379 1.929 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001204281094 939751972 /nfs/dbraw/zinc/75/19/72/939751972.db2.gz QKZHJIZRXFHPCJ-UHFFFAOYSA-N 0 3 274.324 1.526 20 10 CDCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204281768 939752326 /nfs/dbraw/zinc/75/23/26/939752326.db2.gz IPKRJFUGHIEQMU-ZWNOBZJWSA-N 0 3 261.321 1.899 20 10 CDCDHN O=C1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204281768 939752327 /nfs/dbraw/zinc/75/23/27/939752327.db2.gz IPKRJFUGHIEQMU-ZWNOBZJWSA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc(O)c1O ZINC001204346530 939759232 /nfs/dbraw/zinc/75/92/32/939759232.db2.gz UBVLKVXODDWQMU-PHIMTYICSA-N 0 3 280.368 1.631 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@](C)([NH3+])C2)cc1Cl ZINC001204791136 939791030 /nfs/dbraw/zinc/79/10/30/939791030.db2.gz OKYDYJNCNQHMMB-ZDUSSCGKSA-N 0 3 270.760 1.977 20 10 CDCDHN CN[C@H](C(=O)NCc1ccccc1O)[C@@H](C)OC(C)(C)C ZINC001219923578 941396790 /nfs/dbraw/zinc/39/67/90/941396790.db2.gz SEINXICWVJJSQC-RISCZKNCSA-N 0 3 294.395 1.800 20 10 CDCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277440785 942574539 /nfs/dbraw/zinc/57/45/39/942574539.db2.gz FAFDRRSZRQGLLZ-MIFYACCESA-N 0 3 288.391 1.938 20 10 CDCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277440785 942574541 /nfs/dbraw/zinc/57/45/41/942574541.db2.gz FAFDRRSZRQGLLZ-MIFYACCESA-N 0 3 288.391 1.938 20 10 CDCDHN CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277442502 942579702 /nfs/dbraw/zinc/57/97/02/942579702.db2.gz WPXHMZJCMSFDFN-GUYJKWIASA-N 0 3 288.391 1.985 20 10 CDCDHN COc1cc(CN2CC([C@@H](C)OC)C2)c(O)cc1O ZINC001231638431 942951626 /nfs/dbraw/zinc/95/16/26/942951626.db2.gz BBQOJVSRYIJFLG-SECBINFHSA-N 0 3 267.325 1.573 20 10 CDCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485669 943594314 /nfs/dbraw/zinc/59/43/14/943594314.db2.gz GILPLIUVESHEOH-SECBINFHSA-N 0 3 281.308 1.188 20 10 CDCDHN CC(C)(C)c1ccc(CN2CC(C(N)=O)C2)c(O)c1 ZINC001235681088 944242210 /nfs/dbraw/zinc/24/22/10/944242210.db2.gz XVFGAYQXUZYYOQ-UHFFFAOYSA-N 0 3 262.353 1.607 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001235686248 944246510 /nfs/dbraw/zinc/24/65/10/944246510.db2.gz ZRQGCHQOPQXTDS-GFCCVEGCSA-N 0 3 276.380 1.997 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001235686248 944246518 /nfs/dbraw/zinc/24/65/18/944246518.db2.gz ZRQGCHQOPQXTDS-GFCCVEGCSA-N 0 3 276.380 1.997 20 10 CDCDHN COc1ccc2ccc([O-])c(CN3C[C@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001236292245 944451265 /nfs/dbraw/zinc/45/12/65/944451265.db2.gz MYNZHEAPIZGRGZ-WBMJQRKESA-N 0 3 284.359 1.958 20 10 CDCDHN CC(C)c1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001237044976 944646207 /nfs/dbraw/zinc/64/62/07/944646207.db2.gz GHRNGXSRWGPZKH-CQSZACIVSA-N 0 3 265.353 1.709 20 10 CDCDHN COc1cc(CN2CCC[C@H](O)C2)c(O)c(OC)c1 ZINC001237669143 944917704 /nfs/dbraw/zinc/91/77/04/944917704.db2.gz JAJFZTZOOOMWLH-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN COC(=O)[C@@H]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)CN1 ZINC001246291374 948082754 /nfs/dbraw/zinc/08/27/54/948082754.db2.gz IDLBGOUILQONKC-WHOFXGATSA-N 0 3 291.395 1.307 20 10 CDCDHN O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001337396120 961164099 /nfs/dbraw/zinc/16/40/99/961164099.db2.gz OCZIJJVXBCLLHB-ZDUSSCGKSA-N 0 3 274.364 1.883 20 10 CDCDHN O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001337396120 961164102 /nfs/dbraw/zinc/16/41/02/961164102.db2.gz OCZIJJVXBCLLHB-ZDUSSCGKSA-N 0 3 274.364 1.883 20 10 CDCDHN COc1ccc(CNCCC(=O)N2CCOCC2)cc1C ZINC000159272469 362305153 /nfs/dbraw/zinc/30/51/53/362305153.db2.gz KAKDSDXEXUFBAX-UHFFFAOYSA-N 0 3 292.379 1.342 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000179969931 357233864 /nfs/dbraw/zinc/23/38/64/357233864.db2.gz WXKJMFNTDXSOCM-UHFFFAOYSA-N 0 3 255.289 1.916 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000179969931 357233866 /nfs/dbraw/zinc/23/38/66/357233866.db2.gz WXKJMFNTDXSOCM-UHFFFAOYSA-N 0 3 255.289 1.916 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180453157 357271119 /nfs/dbraw/zinc/27/11/19/357271119.db2.gz KBOFTHMFHXOPOG-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180453157 357271121 /nfs/dbraw/zinc/27/11/21/357271121.db2.gz KBOFTHMFHXOPOG-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189965090 358047026 /nfs/dbraw/zinc/04/70/26/358047026.db2.gz GOGZXZJZMHLZBR-UONOGXRCSA-N 0 3 281.352 1.658 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000178692863 366496434 /nfs/dbraw/zinc/49/64/34/366496434.db2.gz JLASZALZOSKQTK-CQSZACIVSA-N 0 3 293.363 1.936 20 10 CDCDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000178692863 366496440 /nfs/dbraw/zinc/49/64/40/366496440.db2.gz JLASZALZOSKQTK-CQSZACIVSA-N 0 3 293.363 1.936 20 10 CDCDHN COc1cccc(CN(C)CCc2noc(C)n2)c1O ZINC000271173285 364959020 /nfs/dbraw/zinc/95/90/20/364959020.db2.gz MTMQJMYNQVSCFP-UHFFFAOYSA-N 0 3 277.324 1.767 20 10 CDCDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000272527470 365278074 /nfs/dbraw/zinc/27/80/74/365278074.db2.gz ZEFFZBAZBLTAPU-JTQLQIEISA-N 0 3 267.222 1.934 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000282568711 367945084 /nfs/dbraw/zinc/94/50/84/367945084.db2.gz FGOOGCAWRCYXRJ-NSHDSACASA-N 0 3 298.358 1.745 20 10 CDCDHN C[C@@H](CC[S@@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000122754358 374655691 /nfs/dbraw/zinc/65/56/91/374655691.db2.gz FPOOSGTWBWQBEB-VOJFVSQTSA-N 0 3 267.394 1.868 20 10 CDCDHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000295848955 378711331 /nfs/dbraw/zinc/71/13/31/378711331.db2.gz DTRYDYYKFZMENX-BNOWGMLFSA-N 0 3 294.370 1.836 20 10 CDCDHN CCOc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O ZINC000228941428 679827727 /nfs/dbraw/zinc/82/77/27/679827727.db2.gz MHHBALQZEHLYDG-LLVKDONJSA-N 0 3 280.368 1.794 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000118963251 390836964 /nfs/dbraw/zinc/83/69/64/390836964.db2.gz FAURFZADOUOJJG-ZDUSSCGKSA-N 0 3 276.380 1.967 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000118963251 390836967 /nfs/dbraw/zinc/83/69/67/390836967.db2.gz FAURFZADOUOJJG-ZDUSSCGKSA-N 0 3 276.380 1.967 20 10 CDCDHN CC(C)COC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121144488 390881001 /nfs/dbraw/zinc/88/10/01/390881001.db2.gz ASWLYEGEROAPGM-CQSZACIVSA-N 0 3 267.369 1.858 20 10 CDCDHN CC(C)COC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121144488 390881005 /nfs/dbraw/zinc/88/10/05/390881005.db2.gz ASWLYEGEROAPGM-CQSZACIVSA-N 0 3 267.369 1.858 20 10 CDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285895 391149895 /nfs/dbraw/zinc/14/98/95/391149895.db2.gz HOIMPWHDCGKVQY-UHFFFAOYSA-N 0 3 296.390 1.595 20 10 CDCDHN COCCCOCCN(C)Cc1cccc(OC)c1O ZINC000181525317 391224545 /nfs/dbraw/zinc/22/45/45/391224545.db2.gz XOHWNMKMLQWHBU-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@H](OCCO)C2)cc1 ZINC000179569820 391212029 /nfs/dbraw/zinc/21/20/29/391212029.db2.gz JTXUEGCRGYKBBP-INIZCTEOSA-N 0 3 278.396 1.726 20 10 CDCDHN CN1CCC([N@H+](CCO)Cc2cc(F)ccc2[O-])CC1 ZINC000183249203 391258156 /nfs/dbraw/zinc/25/81/56/391258156.db2.gz NPQOAXKJBJLYIK-UHFFFAOYSA-N 0 3 282.359 1.420 20 10 CDCDHN CN1CCC([N@@H+](CCO)Cc2cc(F)ccc2[O-])CC1 ZINC000183249203 391258161 /nfs/dbraw/zinc/25/81/61/391258161.db2.gz NPQOAXKJBJLYIK-UHFFFAOYSA-N 0 3 282.359 1.420 20 10 CDCDHN O=C(c1cccc2c1CCNC2)N1CCCn2nccc21 ZINC000662789514 413503058 /nfs/dbraw/zinc/50/30/58/413503058.db2.gz YKJWGPQHIYMPPL-UHFFFAOYSA-N 0 3 282.347 1.579 20 10 CDCDHN CCN(CCC[NH2+]Cc1ccccc1[O-])S(C)(=O)=O ZINC000038035331 174034239 /nfs/dbraw/zinc/03/42/39/174034239.db2.gz PZCSAQOSTJWKRU-UHFFFAOYSA-N 0 3 286.397 1.153 20 10 CDCDHN CCOc1cccc(CN[C@@H]2CC(=O)N(C)C2)c1O ZINC000072313433 176368389 /nfs/dbraw/zinc/36/83/89/176368389.db2.gz XKWCXMFPLSKWFD-LLVKDONJSA-N 0 3 264.325 1.111 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3cnccn3)CC2)c1 ZINC000157936465 261156397 /nfs/dbraw/zinc/15/63/97/261156397.db2.gz WOMUSCKGKJFYFL-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C1CC1 ZINC000105488054 261359039 /nfs/dbraw/zinc/35/90/39/261359039.db2.gz SFXJSOLNPDBJEG-SNVBAGLBSA-N 0 3 278.352 1.693 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000186178744 262083815 /nfs/dbraw/zinc/08/38/15/262083815.db2.gz WKWJYJPCVAVJCC-RNCFNFMXSA-N 0 3 255.289 1.333 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCOC2)c1[O-] ZINC000184745460 262298073 /nfs/dbraw/zinc/29/80/73/262298073.db2.gz HJVSYBRYHMPIBE-ZDUSSCGKSA-N 0 3 287.743 1.295 20 10 CDCDHN CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000077458048 326923557 /nfs/dbraw/zinc/92/35/57/326923557.db2.gz QLPZILQWGLVOHX-STQMWFEESA-N 0 3 283.393 1.838 20 10 CDCDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000280898844 327595163 /nfs/dbraw/zinc/59/51/63/327595163.db2.gz FQKOHELTOZXLAD-SNVBAGLBSA-N 0 3 269.366 1.620 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690792660 1159452280 /nfs/dbraw/zinc/45/22/80/1159452280.db2.gz WJGMWHOOLWDKGB-JQWIXIFHSA-N 0 3 251.301 2.000 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690792660 1159452287 /nfs/dbraw/zinc/45/22/87/1159452287.db2.gz WJGMWHOOLWDKGB-JQWIXIFHSA-N 0 3 251.301 2.000 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cc(OC)ccc2[O-])C1 ZINC000278782413 521652886 /nfs/dbraw/zinc/65/28/86/521652886.db2.gz VSEMXYWQLHBWRM-UHFFFAOYSA-N 0 3 281.352 1.420 20 10 CDCDHN CN(C)c1ccc(CNCC(C)(C)OCCO)cc1F ZINC000288326839 522204424 /nfs/dbraw/zinc/20/44/24/522204424.db2.gz AGNLLTMVPVJOII-UHFFFAOYSA-N 0 3 284.375 1.769 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H]1CCCO1 ZINC000278699462 522360022 /nfs/dbraw/zinc/36/00/22/522360022.db2.gz QQRUZCDWOGJOGQ-HIFRSBDPSA-N 0 3 265.353 1.984 20 10 CDCDHN COC[C@H](CNCc1ccc2c(c1)CCO2)OC ZINC000227705570 522679055 /nfs/dbraw/zinc/67/90/55/522679055.db2.gz LSNOFGLMECVSFL-ZDUSSCGKSA-N 0 3 251.326 1.373 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC000279426857 522781870 /nfs/dbraw/zinc/78/18/70/522781870.db2.gz NUQHWTBVRMFIIR-BMIGLBTASA-N 0 3 297.351 1.039 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280987080 524432597 /nfs/dbraw/zinc/43/25/97/524432597.db2.gz WQVIZSBCUOCAJM-KBPBESRZSA-N 0 3 265.353 1.435 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000141905203 524745736 /nfs/dbraw/zinc/74/57/36/524745736.db2.gz HWPBPNQYOCGADZ-TXEJJXNPSA-N 0 3 264.369 1.925 20 10 CDCDHN C[C@@H](Cn1ccnc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880085 524961703 /nfs/dbraw/zinc/96/17/03/524961703.db2.gz SWZXYVCPMIYEMP-JTQLQIEISA-N 0 3 275.308 1.496 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCN2CCCOCC2)cc1C ZINC000289468979 525322319 /nfs/dbraw/zinc/32/23/19/525322319.db2.gz PEVTXZHLNFOOPS-UHFFFAOYSA-N 0 3 278.396 1.821 20 10 CDCDHN C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1[O-] ZINC000289815532 525347430 /nfs/dbraw/zinc/34/74/30/525347430.db2.gz ORVBCLPPPRECML-NSHDSACASA-N 0 3 276.340 1.217 20 10 CDCDHN O=C([C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000290542245 526547978 /nfs/dbraw/zinc/54/79/78/526547978.db2.gz RHIGDXHJQXSBHR-LBPRGKRZSA-N 0 3 292.354 1.976 20 10 CDCDHN O=C([C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000290542245 526547982 /nfs/dbraw/zinc/54/79/82/526547982.db2.gz RHIGDXHJQXSBHR-LBPRGKRZSA-N 0 3 292.354 1.976 20 10 CDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000368975408 526986130 /nfs/dbraw/zinc/98/61/30/526986130.db2.gz RAYGUIVNLZQVMN-QKCSRTOESA-N 0 3 260.337 1.478 20 10 CDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000368975408 526986134 /nfs/dbraw/zinc/98/61/34/526986134.db2.gz RAYGUIVNLZQVMN-QKCSRTOESA-N 0 3 260.337 1.478 20 10 CDCDHN O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000290568487 527300256 /nfs/dbraw/zinc/30/02/56/527300256.db2.gz SXLCHSPXMGDOJM-JTQLQIEISA-N 0 3 287.356 1.446 20 10 CDCDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@H+](C)C1CC1 ZINC000732284797 575086883 /nfs/dbraw/zinc/08/68/83/575086883.db2.gz CBKDHQMQRUBDGL-MRVPVSSYSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@@H+](C)C1CC1 ZINC000732284797 575086884 /nfs/dbraw/zinc/08/68/84/575086884.db2.gz CBKDHQMQRUBDGL-MRVPVSSYSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H](CNC(=O)C1=CC(=O)CS1)N(C)C1CC1 ZINC000732284797 575086885 /nfs/dbraw/zinc/08/68/85/575086885.db2.gz CBKDHQMQRUBDGL-MRVPVSSYSA-N 0 3 254.355 1.666 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000773816558 575839120 /nfs/dbraw/zinc/83/91/20/575839120.db2.gz LADAOLJRPRZRFL-GJZGRUSLSA-N 0 3 264.369 1.070 20 10 CDCDHN CCOc1ccc(CN2CCN(CCOC)CC2)c(O)c1 ZINC000768220952 576265565 /nfs/dbraw/zinc/26/55/65/576265565.db2.gz VDDRYGCCDPNTSC-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCCO1 ZINC000768442603 576283275 /nfs/dbraw/zinc/28/32/75/576283275.db2.gz MHRZRFJEGKCEAP-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCCO1 ZINC000768442603 576283278 /nfs/dbraw/zinc/28/32/78/576283278.db2.gz MHRZRFJEGKCEAP-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000761222495 576561059 /nfs/dbraw/zinc/56/10/59/576561059.db2.gz JMTCSJRTPRTJQD-ZIAGYGMSSA-N 0 3 265.353 1.984 20 10 CDCDHN C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756659289 576998961 /nfs/dbraw/zinc/99/89/61/576998961.db2.gz COIUSXHYBBFEKV-QXFUBDJGSA-N 0 3 266.316 1.933 20 10 CDCDHN CC1(C)OCC(NCc2cc3c(cc2O)OCO3)CO1 ZINC000758009922 577067053 /nfs/dbraw/zinc/06/70/53/577067053.db2.gz CNOYOPTXRSKBEC-UHFFFAOYSA-N 0 3 281.308 1.362 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000759174490 577157373 /nfs/dbraw/zinc/15/73/73/577157373.db2.gz UFJPWOARZHGPFE-XHDPSFHLSA-N 0 3 295.335 1.405 20 10 CDCDHN CC(C)(CC[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000840960030 617837692 /nfs/dbraw/zinc/83/76/92/617837692.db2.gz BUGFDJIFMJZMPS-UHFFFAOYSA-N 0 3 289.372 1.834 20 10 CDCDHN COc1ccc(CNC2COC(C)(C)OC2)c(O)c1OC ZINC000893569150 618138680 /nfs/dbraw/zinc/13/86/80/618138680.db2.gz NAYBUQVSOPZCAS-UHFFFAOYSA-N 0 3 297.351 1.651 20 10 CDCDHN COc1ccc(O)c(CNCc2c(C)ccnc2N)c1 ZINC000894259366 618315113 /nfs/dbraw/zinc/31/51/13/618315113.db2.gz DRNZZFRPKRVEMS-UHFFFAOYSA-N 0 3 273.336 1.976 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC1(C)C ZINC000895322508 619556612 /nfs/dbraw/zinc/55/66/12/619556612.db2.gz UEDGSLQTEHNVHT-CQSZACIVSA-N 0 3 275.396 1.675 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCO[C@H]1CCOC1 ZINC000897201740 620414288 /nfs/dbraw/zinc/41/42/88/620414288.db2.gz MFZLRVOCHVAGKT-LBPRGKRZSA-N 0 3 251.326 1.596 20 10 CDCDHN CCCNC(=O)CNCc1ccc(N2CCOCC2)cc1 ZINC000035134120 620981111 /nfs/dbraw/zinc/98/11/11/620981111.db2.gz MIFOBRDZVBQPOU-UHFFFAOYSA-N 0 3 291.395 1.139 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC2)N(C)C)cc1 ZINC000899102988 622046584 /nfs/dbraw/zinc/04/65/84/622046584.db2.gz UCXLBRRQSJNNGI-HNNXBMFYSA-N 0 3 290.411 1.771 20 10 CDCDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910951106 629115664 /nfs/dbraw/zinc/11/56/64/629115664.db2.gz BHPNSAWIJWDKMJ-ZDUSSCGKSA-N 0 3 278.352 1.588 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)COCC1CC1)CC2 ZINC000834552201 679706392 /nfs/dbraw/zinc/70/63/92/679706392.db2.gz XOVVRHPRTVVZHK-UONOGXRCSA-N 0 3 277.364 1.757 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841955932 679768750 /nfs/dbraw/zinc/76/87/50/679768750.db2.gz RSYKSYPEZCAJTK-NEPJUHHUSA-N 0 3 276.384 1.203 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H](O)CO)c(C(F)(F)F)c1 ZINC000793170658 679780076 /nfs/dbraw/zinc/78/00/76/679780076.db2.gz TXEZBNHALSZRJK-LLVKDONJSA-N 0 3 292.301 1.214 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c([O-])c1 ZINC000877025282 679794806 /nfs/dbraw/zinc/79/48/06/679794806.db2.gz FWUJRPHNVCHCOP-KBPBESRZSA-N 0 3 278.396 1.899 20 10 CDCDHN CC[C@@H](N)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980837 679827000 /nfs/dbraw/zinc/82/70/00/679827000.db2.gz XJJFXCJPBDAUGP-GXSJLCMTSA-N 0 3 266.341 1.567 20 10 CDCDHN COc1cccc(CN2CC(C(C)(C)O)C2)c1O ZINC000839139991 679739488 /nfs/dbraw/zinc/73/94/88/679739488.db2.gz MWJGROBCDMOEIF-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN Cc1cc(C)c(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC000853554414 679836266 /nfs/dbraw/zinc/83/62/66/679836266.db2.gz XLTHUIZXRWTFCQ-INIZCTEOSA-N 0 3 290.407 1.916 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000827549229 681602243 /nfs/dbraw/zinc/60/22/43/681602243.db2.gz FCZFQRZRYMLDOC-HNNXBMFYSA-N 0 3 294.370 1.874 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCOCC1(C)C ZINC000877147887 681625744 /nfs/dbraw/zinc/62/57/44/681625744.db2.gz CQECDHNTMQLDMK-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000877072968 682178832 /nfs/dbraw/zinc/17/88/32/682178832.db2.gz ZMKAYEBSKJMXIZ-CQSZACIVSA-N 0 3 261.325 1.257 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000857083950 682254004 /nfs/dbraw/zinc/25/40/04/682254004.db2.gz CAZCBRIBXGJPCG-WCQYABFASA-N 0 3 262.353 1.972 20 10 CDCDHN Cc1cc(C)c(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000793710333 682309782 /nfs/dbraw/zinc/30/97/82/682309782.db2.gz RWBJNEWVGXJEMI-CYBMUJFWSA-N 0 3 297.420 1.876 20 10 CDCDHN COc1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1 ZINC000180010350 682605330 /nfs/dbraw/zinc/60/53/30/682605330.db2.gz JJQGRVUYANTFEZ-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000783718288 682620139 /nfs/dbraw/zinc/62/01/39/682620139.db2.gz QDBLUCJRXGHUKB-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000783718288 682620142 /nfs/dbraw/zinc/62/01/42/682620142.db2.gz QDBLUCJRXGHUKB-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC2)c1 ZINC000775362679 682621774 /nfs/dbraw/zinc/62/17/74/682621774.db2.gz HLTYRTYNDQWLQI-SNVBAGLBSA-N 0 3 264.325 1.284 20 10 CDCDHN CCN1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695613 682700390 /nfs/dbraw/zinc/70/03/90/682700390.db2.gz KPMPLTUHUIIPPW-MFKMUULPSA-N 0 3 278.352 1.672 20 10 CDCDHN COCC(COC)NCc1ccc(N(C)C)c(F)c1 ZINC000824921843 682814404 /nfs/dbraw/zinc/81/44/04/682814404.db2.gz UAWIGKSLUQNMMR-UHFFFAOYSA-N 0 3 270.348 1.643 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000839191789 682846866 /nfs/dbraw/zinc/84/68/66/682846866.db2.gz FOGLLQZQSMLDKL-UONOGXRCSA-N 0 3 250.342 1.256 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCNc1cnccn1)CC2 ZINC000834625238 682857531 /nfs/dbraw/zinc/85/75/31/682857531.db2.gz WEQKBGRMTRATAM-GFCCVEGCSA-N 0 3 270.336 1.871 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000877515977 683133052 /nfs/dbraw/zinc/13/30/52/683133052.db2.gz AICAPHZSZHEQCR-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000877515977 683133060 /nfs/dbraw/zinc/13/30/60/683133060.db2.gz AICAPHZSZHEQCR-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1cc(Cl)cc(CNCC(=O)N(C)OC)c1O ZINC000397539892 683235759 /nfs/dbraw/zinc/23/57/59/683235759.db2.gz SUWIOLGKXOCYHS-UHFFFAOYSA-N 0 3 288.731 1.164 20 10 CDCDHN [O-]c1c(Cl)cccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087006 683477706 /nfs/dbraw/zinc/47/77/06/683477706.db2.gz RJWCZYSHMOSRJJ-NSHDSACASA-N 0 3 270.760 1.514 20 10 CDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOC1 ZINC000123188292 683541346 /nfs/dbraw/zinc/54/13/46/683541346.db2.gz GOKXDYXFVMDGFI-IINYFYTJSA-N 0 3 269.316 1.987 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCS1(=O)=O ZINC000840935703 683561055 /nfs/dbraw/zinc/56/10/55/683561055.db2.gz AURSFZHLUFJUCW-HNNXBMFYSA-N 0 3 296.436 1.728 20 10 CDCDHN CCc1cccc(CNCCS(C)(=O)=O)c1O ZINC000709424684 683613844 /nfs/dbraw/zinc/61/38/44/683613844.db2.gz URVLNGGPMHLAFT-UHFFFAOYSA-N 0 3 257.355 1.089 20 10 CDCDHN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000858587407 683733174 /nfs/dbraw/zinc/73/31/74/683733174.db2.gz NLJAPNKYKNAZOH-DTWKUNHWSA-N 0 3 270.304 1.590 20 10 CDCDHN NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000825278554 683821571 /nfs/dbraw/zinc/82/15/71/683821571.db2.gz FHPSUBOKHAZVDS-KCJUWKMLSA-N 0 3 252.289 1.275 20 10 CDCDHN C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[O-] ZINC000876996136 683887953 /nfs/dbraw/zinc/88/79/53/683887953.db2.gz PSABIGXHDPULCW-WCQYABFASA-N 0 3 262.353 1.929 20 10 CDCDHN CC(=O)NCCCNCc1cc(F)c(N(C)C)cc1F ZINC000858091329 683934125 /nfs/dbraw/zinc/93/41/25/683934125.db2.gz QBIMEJPPDKBTGC-UHFFFAOYSA-N 0 3 285.338 1.647 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCO1 ZINC000877490045 684137929 /nfs/dbraw/zinc/13/79/29/684137929.db2.gz SRNNHEBEILTVOI-DZGCQCFKSA-N 0 3 265.353 1.984 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000877628488 684184067 /nfs/dbraw/zinc/18/40/67/684184067.db2.gz IKZQDPSNUFPMKU-JSGCOSHPSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000877628488 684184076 /nfs/dbraw/zinc/18/40/76/684184076.db2.gz IKZQDPSNUFPMKU-JSGCOSHPSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000877118474 684252322 /nfs/dbraw/zinc/25/23/22/684252322.db2.gz CFZSRUZWDDKPJH-LBPRGKRZSA-N 0 3 298.408 1.072 20 10 CDCDHN C[C@@H]([NH2+]CCCC[NH3+])c1cc(C(=O)[O-])ccc1[O-] ZINC001609776504 1165075873 /nfs/dbraw/zinc/07/58/73/1165075873.db2.gz BNKKCQOBABROIG-SECBINFHSA-N 0 3 252.314 1.480 20 10 CDCDHN O=C(NCc1cc(O)ccc1O)c1cccc2c1CNC2 ZINC001580712138 1172519917 /nfs/dbraw/zinc/51/99/17/1172519917.db2.gz WNOMRBDURBAYQU-UHFFFAOYSA-N 0 3 284.315 1.631 20 10 CDCDHN CCOc1ccc(O)c(C[N@@H+]2CCCNC[C@@H]2C(=O)[O-])c1 ZINC001610042979 1165195811 /nfs/dbraw/zinc/19/58/11/1165195811.db2.gz NCQZIUXFWXXILD-CYBMUJFWSA-N 0 3 294.351 1.039 20 10 CDCDHN CCOc1ccc(O)c(C[N@H+]2CCCNC[C@@H]2C(=O)[O-])c1 ZINC001610042979 1165195815 /nfs/dbraw/zinc/19/58/15/1165195815.db2.gz NCQZIUXFWXXILD-CYBMUJFWSA-N 0 3 294.351 1.039 20 10 CDCDHN CCC(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000092705630 902186202 /nfs/dbraw/zinc/18/62/02/902186202.db2.gz SKECFLNFGQAXOE-CYBMUJFWSA-N 0 3 292.379 1.891 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000093814054 909358872 /nfs/dbraw/zinc/35/88/72/909358872.db2.gz PSIVCPGVBYJQOR-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000093814054 909358888 /nfs/dbraw/zinc/35/88/88/909358888.db2.gz PSIVCPGVBYJQOR-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN CCN1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001172049314 911192187 /nfs/dbraw/zinc/19/21/87/911192187.db2.gz VPYZHLFUQDBQEJ-ZDUSSCGKSA-N 0 3 274.364 1.761 20 10 CDCDHN CCN1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001172049314 911192196 /nfs/dbraw/zinc/19/21/96/911192196.db2.gz VPYZHLFUQDBQEJ-ZDUSSCGKSA-N 0 3 274.364 1.761 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179999 911438601 /nfs/dbraw/zinc/43/86/01/911438601.db2.gz QGDCHIXZUNPASO-KGLIPLIRSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179999 911438609 /nfs/dbraw/zinc/43/86/09/911438609.db2.gz QGDCHIXZUNPASO-KGLIPLIRSA-N 0 3 274.364 1.977 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@H]1F ZINC001206174212 911908789 /nfs/dbraw/zinc/90/87/89/911908789.db2.gz MIQYWEPCUCWPRR-ZYHUDNBSSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC[C@H]1F ZINC001206174212 911908799 /nfs/dbraw/zinc/90/87/99/911908799.db2.gz MIQYWEPCUCWPRR-ZYHUDNBSSA-N 0 3 274.286 1.932 20 10 CDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@@]1(C)O ZINC001204275706 916504994 /nfs/dbraw/zinc/50/49/94/916504994.db2.gz AAGLTAIDMOBYCJ-IINYFYTJSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@]1(C)O ZINC001204275706 916505009 /nfs/dbraw/zinc/50/50/09/916505009.db2.gz AAGLTAIDMOBYCJ-IINYFYTJSA-N 0 3 251.326 1.691 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001236807283 916529139 /nfs/dbraw/zinc/52/91/39/916529139.db2.gz FOVONLAVRVTGGM-BXUZGUMPSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001236807283 916529151 /nfs/dbraw/zinc/52/91/51/916529151.db2.gz FOVONLAVRVTGGM-BXUZGUMPSA-N 0 3 265.353 1.912 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140055982 936674557 /nfs/dbraw/zinc/67/45/57/936674557.db2.gz CNKNQYMRFCYQFL-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140055982 936674558 /nfs/dbraw/zinc/67/45/58/936674558.db2.gz CNKNQYMRFCYQFL-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2c(C)ccc(C)c2O)CCN1C ZINC001140184275 936684915 /nfs/dbraw/zinc/68/49/15/936684915.db2.gz QCZARLSGFMLUED-AWEZNQCLSA-N 0 3 292.379 1.298 20 10 CDCDHN COC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1 ZINC001140619824 936731643 /nfs/dbraw/zinc/73/16/43/936731643.db2.gz QKJTWWXGHZDGFE-UHFFFAOYSA-N 0 3 278.352 1.975 20 10 CDCDHN COC(=O)C1(O)CCN(Cc2cc(C)ccc2O)CC1 ZINC001140623193 936732174 /nfs/dbraw/zinc/73/21/74/936732174.db2.gz JZVMNILQTIWWFY-UHFFFAOYSA-N 0 3 279.336 1.201 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c([O-])c1 ZINC001140954433 936783613 /nfs/dbraw/zinc/78/36/13/936783613.db2.gz REQMGKBLEIUGJB-UHFFFAOYSA-N 0 3 274.364 1.945 20 10 CDCDHN CO[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001116443615 937448585 /nfs/dbraw/zinc/44/85/85/937448585.db2.gz CXJCSBDTFJSTBE-AWEZNQCLSA-N 0 3 294.370 1.883 20 10 CDCDHN C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589819 932755343 /nfs/dbraw/zinc/75/53/43/932755343.db2.gz MMASVTQYUHVRBD-JTQLQIEISA-N 0 3 280.324 1.018 20 10 CDCDHN C[N@H+]1CCC[C@H]1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589819 932755351 /nfs/dbraw/zinc/75/53/51/932755351.db2.gz MMASVTQYUHVRBD-JTQLQIEISA-N 0 3 280.324 1.018 20 10 CDCDHN C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C ZINC001155891757 937685664 /nfs/dbraw/zinc/68/56/64/937685664.db2.gz FHVYXXMJXIMPIC-JOYOIKCWSA-N 0 3 289.339 1.671 20 10 CDCDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(OC)cc1O ZINC001122064808 937902883 /nfs/dbraw/zinc/90/28/83/937902883.db2.gz JEZIZDOKMNRPMN-GXFFZTMASA-N 0 3 280.368 1.781 20 10 CDCDHN CC1=NC2(CC[NH+](Cc3ccccc3[O-])CC2)C(=O)N1C ZINC001203560679 939693576 /nfs/dbraw/zinc/69/35/76/939693576.db2.gz GGJBXQZFOIZSJS-UHFFFAOYSA-N 0 3 287.363 1.617 20 10 CDCDHN COc1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001203622118 939697103 /nfs/dbraw/zinc/69/71/03/939697103.db2.gz PPXPEZUAIMQDLA-YPMHNXCESA-N 0 3 285.290 1.867 20 10 CDCDHN CN1CCN(C2CN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC001203664588 939700112 /nfs/dbraw/zinc/70/01/12/939700112.db2.gz LZZBIHVXPNCLOF-UHFFFAOYSA-N 0 3 295.814 1.477 20 10 CDCDHN Oc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1O ZINC001203879392 939710878 /nfs/dbraw/zinc/71/08/78/939710878.db2.gz PGDDUPLTGBZICP-CYBMUJFWSA-N 0 3 262.353 1.768 20 10 CDCDHN CN(C)c1ccc(CN2CC(C(N)=O)C2)c2ccccc21 ZINC001204242229 939746771 /nfs/dbraw/zinc/74/67/71/939746771.db2.gz MZHIQMNKQFGEMV-UHFFFAOYSA-N 0 3 283.375 1.823 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000400150633 940843247 /nfs/dbraw/zinc/84/32/47/940843247.db2.gz BJAPDAABRWUPOD-RYUDHWBXSA-N 0 3 298.408 1.385 20 10 CDCDHN [NH3+]CC1(F)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001222542509 941611077 /nfs/dbraw/zinc/61/10/77/941611077.db2.gz GFZJFXRPBFHBEO-UHFFFAOYSA-N 0 3 282.315 1.353 20 10 CDCDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000323161302 942211825 /nfs/dbraw/zinc/21/18/25/942211825.db2.gz JBQDXXNVYSHKLQ-HUUCEWRRSA-N 0 3 262.353 1.136 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1Cl ZINC001231867157 943035407 /nfs/dbraw/zinc/03/54/07/943035407.db2.gz HZMBEUSBXPJQGL-HZMBPMFUSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1Cl ZINC001231867157 943035413 /nfs/dbraw/zinc/03/54/13/943035413.db2.gz HZMBEUSBXPJQGL-HZMBPMFUSA-N 0 3 285.771 1.529 20 10 CDCDHN CN(C)c1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001232834970 943412295 /nfs/dbraw/zinc/41/22/95/943412295.db2.gz SSEJJFXFLFPOMU-UHFFFAOYSA-N 0 3 250.342 1.272 20 10 CDCDHN N[C@@]12CC[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984643 944350712 /nfs/dbraw/zinc/35/07/12/944350712.db2.gz ABDJINIXDHPFSP-SMDDNHRTSA-N 0 3 262.309 1.014 20 10 CDCDHN N[C@@]12CC[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984643 944350723 /nfs/dbraw/zinc/35/07/23/944350723.db2.gz ABDJINIXDHPFSP-SMDDNHRTSA-N 0 3 262.309 1.014 20 10 CDCDHN [NH3+][C@]12C[C@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC001236016290 944374346 /nfs/dbraw/zinc/37/43/46/944374346.db2.gz PAVUBPHLSPULKE-CABZTGNLSA-N 0 3 283.169 1.688 20 10 CDCDHN CCc1ccc(C[N@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001236785158 944569040 /nfs/dbraw/zinc/56/90/40/944569040.db2.gz GDMIYZCWKODXHD-UHFFFAOYSA-N 0 3 272.352 1.604 20 10 CDCDHN CCc1ccc(C[N@@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001236785158 944569046 /nfs/dbraw/zinc/56/90/46/944569046.db2.gz GDMIYZCWKODXHD-UHFFFAOYSA-N 0 3 272.352 1.604 20 10 CDCDHN CCOC(=O)c1c(CN2CCNC2)c2ccccc2n1C ZINC001236849237 944591829 /nfs/dbraw/zinc/59/18/29/944591829.db2.gz DEYVINBJSAAWIV-UHFFFAOYSA-N 0 3 287.363 1.718 20 10 CDCDHN OC[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119736 944660629 /nfs/dbraw/zinc/66/06/29/944660629.db2.gz FEDNSYGZTNYBAU-LDYMZIIASA-N 0 3 289.734 1.360 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C)(C(N)=O)CC1 ZINC001237489049 944813811 /nfs/dbraw/zinc/81/38/11/944813811.db2.gz DICXBYZSAGLJGE-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1[O-] ZINC001237681726 944924812 /nfs/dbraw/zinc/92/48/12/944924812.db2.gz PYWUZLXBVQRGDR-PWSUYJOCSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1[O-] ZINC001237681726 944924817 /nfs/dbraw/zinc/92/48/17/944924817.db2.gz PYWUZLXBVQRGDR-PWSUYJOCSA-N 0 3 271.744 1.139 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001249173576 949440811 /nfs/dbraw/zinc/44/08/11/949440811.db2.gz UETBWGNEIOJGHQ-CYBMUJFWSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001249173576 949440821 /nfs/dbraw/zinc/44/08/21/949440821.db2.gz UETBWGNEIOJGHQ-CYBMUJFWSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001249172506 949442326 /nfs/dbraw/zinc/44/23/26/949442326.db2.gz OBFYNIUMPPXWQE-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001249172506 949442348 /nfs/dbraw/zinc/44/23/48/949442348.db2.gz OBFYNIUMPPXWQE-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249177532 949442938 /nfs/dbraw/zinc/44/29/38/949442938.db2.gz CBADBZOQFMSWAZ-ZDUSSCGKSA-N 0 3 293.363 1.576 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249177532 949442952 /nfs/dbraw/zinc/44/29/52/949442952.db2.gz CBADBZOQFMSWAZ-ZDUSSCGKSA-N 0 3 293.363 1.576 20 10 CDCDHN C[NH+](C)CC[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001303477866 956089846 /nfs/dbraw/zinc/08/98/46/956089846.db2.gz NQHRLRPFUHFGRN-SNVBAGLBSA-N 0 3 268.382 1.868 20 10 CDCDHN CCOc1ccc(N2CCN([C@@H](CC)CO)CC2)cc1 ZINC001333144687 958106017 /nfs/dbraw/zinc/10/60/17/958106017.db2.gz UAJPDVTYFQUVLT-AWEZNQCLSA-N 0 3 278.396 1.978 20 10 CDCDHN CC1(C)C[NH2+]CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001576481349 1171433282 /nfs/dbraw/zinc/43/32/82/1171433282.db2.gz XXFNUDISEASIIX-ZDUSSCGKSA-N 0 3 295.358 1.719 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1 ZINC000178866772 342532707 /nfs/dbraw/zinc/53/27/07/342532707.db2.gz FWRLNXAGBWFDNW-FZMZJTMJSA-N 0 3 273.380 1.553 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000093481793 342428967 /nfs/dbraw/zinc/42/89/67/342428967.db2.gz XGLPQJGRKOXJSX-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000093481793 342428968 /nfs/dbraw/zinc/42/89/68/342428968.db2.gz XGLPQJGRKOXJSX-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN COCCCOCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000271348409 345359109 /nfs/dbraw/zinc/35/91/09/345359109.db2.gz FNDFCEXNIAACNY-UHFFFAOYSA-N 0 3 297.351 1.606 20 10 CDCDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294878021 363467742 /nfs/dbraw/zinc/46/77/42/363467742.db2.gz XEHNVYSSHCHYKI-GFCCVEGCSA-N 0 3 275.396 1.852 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293798715 198777177 /nfs/dbraw/zinc/77/71/77/198777177.db2.gz UWDLNSQQMQNXFJ-XQQFMLRXSA-N 0 3 265.353 1.891 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000180419177 357269714 /nfs/dbraw/zinc/26/97/14/357269714.db2.gz AKIMXZMCVCPNRN-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000180419177 357269716 /nfs/dbraw/zinc/26/97/16/357269716.db2.gz AKIMXZMCVCPNRN-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN CNCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193129934 358267961 /nfs/dbraw/zinc/26/79/61/358267961.db2.gz XIWXAXBPECKWRH-CYBMUJFWSA-N 0 3 278.352 1.119 20 10 CDCDHN COc1cccc(CNC(=O)NC[C@H]2CCCN2C)c1O ZINC000266711101 363640912 /nfs/dbraw/zinc/64/09/12/363640912.db2.gz IAYBFNPEPFIANN-GFCCVEGCSA-N 0 3 293.367 1.294 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000289514691 360623064 /nfs/dbraw/zinc/62/30/64/360623064.db2.gz GVXVTGJUVYTZJJ-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000289514691 360623068 /nfs/dbraw/zinc/62/30/68/360623068.db2.gz GVXVTGJUVYTZJJ-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CCOc1ccc(O)c(CN(CCO)C2CC2)c1 ZINC000271059450 364899342 /nfs/dbraw/zinc/89/93/42/364899342.db2.gz FTLRPIHNBCHQHC-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](CCO)C2CC2)c1 ZINC000271059450 364899350 /nfs/dbraw/zinc/89/93/50/364899350.db2.gz FTLRPIHNBCHQHC-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](CCO)C2CC2)c1 ZINC000271059450 364899358 /nfs/dbraw/zinc/89/93/58/364899358.db2.gz FTLRPIHNBCHQHC-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)CCOCCO)c([O-])c1 ZINC000282766529 368028369 /nfs/dbraw/zinc/02/83/69/368028369.db2.gz PGUPYVQNYSLBNV-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)CCOCCO)c([O-])c1 ZINC000282766529 368028370 /nfs/dbraw/zinc/02/83/70/368028370.db2.gz PGUPYVQNYSLBNV-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccccc1[O-] ZINC000282946635 368115653 /nfs/dbraw/zinc/11/56/53/368115653.db2.gz ZAQYYVZLAZMEFX-ZJUUUORDSA-N 0 3 254.305 1.517 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1C ZINC000284250559 368508575 /nfs/dbraw/zinc/50/85/75/368508575.db2.gz FPLDKKFJOUEBHX-LSDHHAIUSA-N 0 3 292.423 1.896 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000289183025 369530443 /nfs/dbraw/zinc/53/04/43/369530443.db2.gz APUJAQLIZAQFTC-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000289183025 369530448 /nfs/dbraw/zinc/53/04/48/369530448.db2.gz APUJAQLIZAQFTC-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295836052 371397809 /nfs/dbraw/zinc/39/78/09/371397809.db2.gz FIIYROLPKQOHOW-NEPJUHHUSA-N 0 3 260.337 1.638 20 10 CDCDHN CC[C@H](O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000124375785 375966737 /nfs/dbraw/zinc/96/67/37/375966737.db2.gz OJHHNLSAYNNVIN-JTQLQIEISA-N 0 3 253.298 1.372 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296391313 378729193 /nfs/dbraw/zinc/72/91/93/378729193.db2.gz JVAYBLLZVZTXKE-LBPRGKRZSA-N 0 3 295.404 1.936 20 10 CDCDHN COCCC[N@H+](CCOC)Cc1ccccc1[O-] ZINC000133090394 390934640 /nfs/dbraw/zinc/93/46/40/390934640.db2.gz RDLMDSWVMIPQMD-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN COCCC[N@@H+](CCOC)Cc1ccccc1[O-] ZINC000133090394 390934641 /nfs/dbraw/zinc/93/46/41/390934641.db2.gz RDLMDSWVMIPQMD-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000195007513 391373971 /nfs/dbraw/zinc/37/39/71/391373971.db2.gz VAZFAXBPTPCLLY-UFBFGSQYSA-N 0 3 252.289 1.146 20 10 CDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289550433 391616225 /nfs/dbraw/zinc/61/62/25/391616225.db2.gz IMSLIXNICDAQQZ-SWLSCSKDSA-N 0 3 294.370 1.826 20 10 CDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289550433 391616227 /nfs/dbraw/zinc/61/62/27/391616227.db2.gz IMSLIXNICDAQQZ-SWLSCSKDSA-N 0 3 294.370 1.826 20 10 CDCDHN CCN(CC)c1ccc(CNCCNS(C)(=O)=O)cc1 ZINC000020203682 171068465 /nfs/dbraw/zinc/06/84/65/171068465.db2.gz ZUZAHNRUZVGFTI-UHFFFAOYSA-N 0 3 299.440 1.172 20 10 CDCDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000022177270 171370955 /nfs/dbraw/zinc/37/09/55/171370955.db2.gz WDJSAEWMCJKRNY-AWEZNQCLSA-N 0 3 261.369 1.412 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1[O-] ZINC000036933123 260052976 /nfs/dbraw/zinc/05/29/76/260052976.db2.gz JZVFURCUXMTLIN-ZDUSSCGKSA-N 0 3 294.395 1.601 20 10 CDCDHN OC[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000090282304 260253872 /nfs/dbraw/zinc/25/38/72/260253872.db2.gz HIDJNIMSGHBOKZ-OAHLLOKOSA-N 0 3 264.369 1.120 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183603789 261981811 /nfs/dbraw/zinc/98/18/11/261981811.db2.gz KDDVITJQDGTOOH-GHMZBOCLSA-N 0 3 271.382 1.866 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCCOCCO)c([O-])c1 ZINC000186514394 262096077 /nfs/dbraw/zinc/09/60/77/262096077.db2.gz SGPBIJLYYDAHNI-GFCCVEGCSA-N 0 3 253.342 1.750 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cccc(C)c1O ZINC000188490818 262157227 /nfs/dbraw/zinc/15/72/27/262157227.db2.gz HSNFBXVHNPOTGI-NSHDSACASA-N 0 3 250.342 1.657 20 10 CDCDHN COc1cccc(CNCc2cnn(C)c2C)c1O ZINC000020352699 262245580 /nfs/dbraw/zinc/24/55/80/262245580.db2.gz BVUQANTVYALZDM-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134978 687055980 /nfs/dbraw/zinc/05/59/80/687055980.db2.gz XYGYSEOAQPUNLK-CQSZACIVSA-N 0 3 288.338 1.518 20 10 CDCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037267757 278361075 /nfs/dbraw/zinc/36/10/75/278361075.db2.gz FBFQDOKRBYBIGF-NEPJUHHUSA-N 0 3 263.385 1.880 20 10 CDCDHN COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228674753 329344398 /nfs/dbraw/zinc/34/43/98/329344398.db2.gz OZJGQYUMOKFTIP-JTQLQIEISA-N 0 3 275.732 1.151 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](CCO)COC)c1[O-] ZINC000219141272 333142804 /nfs/dbraw/zinc/14/28/04/333142804.db2.gz SVRMBDTVJPKDFW-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134130239 334081684 /nfs/dbraw/zinc/08/16/84/334081684.db2.gz XYIAOHSLYIJPAT-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134130239 334081686 /nfs/dbraw/zinc/08/16/86/334081686.db2.gz XYIAOHSLYIJPAT-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823759 521943232 /nfs/dbraw/zinc/94/32/32/521943232.db2.gz XWUDTMQVKVYWJX-GWCFXTLKSA-N 0 3 250.342 1.724 20 10 CDCDHN COc1ccc(CN[C@@H](C)C(=O)N(C)C)cc1C ZINC000037268017 524074015 /nfs/dbraw/zinc/07/40/15/524074015.db2.gz AMQZSTDVNKBJTE-NSHDSACASA-N 0 3 250.342 1.570 20 10 CDCDHN COc1ccc(O)c(CNCC(=O)NC(C)C)c1 ZINC000036781442 524748999 /nfs/dbraw/zinc/74/89/99/524748999.db2.gz UDDSOAXXLDWSOE-UHFFFAOYSA-N 0 3 252.314 1.015 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1C ZINC000280106341 525318798 /nfs/dbraw/zinc/31/87/98/525318798.db2.gz ARNVCWJGXUPZJE-HNNXBMFYSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1C ZINC000280106341 525318805 /nfs/dbraw/zinc/31/88/05/525318805.db2.gz ARNVCWJGXUPZJE-HNNXBMFYSA-N 0 3 262.353 1.706 20 10 CDCDHN C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000220330893 687740164 /nfs/dbraw/zinc/74/01/64/687740164.db2.gz JPVANDYIRPXECW-RNCFNFMXSA-N 0 3 254.305 1.079 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000771926704 575637222 /nfs/dbraw/zinc/63/72/22/575637222.db2.gz HNLWIWSVCCOQOY-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000771926704 575637224 /nfs/dbraw/zinc/63/72/24/575637224.db2.gz HNLWIWSVCCOQOY-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000774649805 575223724 /nfs/dbraw/zinc/22/37/24/575223724.db2.gz YTAATNSZWYRPQT-AWEZNQCLSA-N 0 3 293.363 1.819 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769528732 575357281 /nfs/dbraw/zinc/35/72/81/575357281.db2.gz YQGSQZYDWSGMEL-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769528732 575357284 /nfs/dbraw/zinc/35/72/84/575357284.db2.gz YQGSQZYDWSGMEL-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN COC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464413 576287425 /nfs/dbraw/zinc/28/74/25/576287425.db2.gz QUJVQJFCSKMXOS-BXUZGUMPSA-N 0 3 279.336 1.429 20 10 CDCDHN COC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464413 576287430 /nfs/dbraw/zinc/28/74/30/576287430.db2.gz QUJVQJFCSKMXOS-BXUZGUMPSA-N 0 3 279.336 1.429 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cccc(C)c2[O-])CCOC1 ZINC000768531944 576293514 /nfs/dbraw/zinc/29/35/14/576293514.db2.gz BZUWIVYTUGGCAD-HNNXBMFYSA-N 0 3 279.336 1.512 20 10 CDCDHN COC(=O)C[C@@]1(NCc2cccc(C)c2O)CCOC1 ZINC000768531944 576293516 /nfs/dbraw/zinc/29/35/16/576293516.db2.gz BZUWIVYTUGGCAD-HNNXBMFYSA-N 0 3 279.336 1.512 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000769468681 576357137 /nfs/dbraw/zinc/35/71/37/576357137.db2.gz OBJFUSIUXKEOAU-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](C)(O)C1 ZINC000769468681 576357138 /nfs/dbraw/zinc/35/71/38/576357138.db2.gz OBJFUSIUXKEOAU-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(F)ccc1[O-] ZINC000756511986 576993030 /nfs/dbraw/zinc/99/30/30/576993030.db2.gz UKFBWYLWHJMVCY-GXFFZTMASA-N 0 3 283.343 1.969 20 10 CDCDHN COc1ccc(CNCc2cc(C)n[nH]2)c(O)c1OC ZINC000893028799 618074759 /nfs/dbraw/zinc/07/47/59/618074759.db2.gz NMWORUQAWRJYDI-UHFFFAOYSA-N 0 3 277.324 1.731 20 10 CDCDHN [O-]c1ccc(Br)cc1CN[C@H]1CC[NH2+]C1 ZINC000841044782 618678687 /nfs/dbraw/zinc/67/86/87/618678687.db2.gz HPJLJUJMMDFWOR-JTQLQIEISA-N 0 3 271.158 1.606 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057111 618691104 /nfs/dbraw/zinc/69/11/04/618691104.db2.gz BEYFKKPAIHRKSQ-VHSXEESVSA-N 0 3 295.339 1.478 20 10 CDCDHN CCN(CC)C(=O)CNCc1cc(C)cc(OC)c1O ZINC000894206009 618705640 /nfs/dbraw/zinc/70/56/40/618705640.db2.gz BMPIGULSAWDHPO-UHFFFAOYSA-N 0 3 280.368 1.667 20 10 CDCDHN COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000894213173 618729310 /nfs/dbraw/zinc/72/93/10/618729310.db2.gz LYRYNJUNQRHXTB-GXSJLCMTSA-N 0 3 271.263 1.536 20 10 CDCDHN COC(=O)N1CC(C)(NCc2cc(OC)ccc2O)C1 ZINC000894543418 618953225 /nfs/dbraw/zinc/95/32/25/618953225.db2.gz XUOJJAXRERKCKW-UHFFFAOYSA-N 0 3 280.324 1.331 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)C(=O)N(C)OC)c1O ZINC000895413551 619648073 /nfs/dbraw/zinc/64/80/73/619648073.db2.gz GCMRSWDTHZCAPW-SNVBAGLBSA-N 0 3 282.340 1.207 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206010 621362500 /nfs/dbraw/zinc/36/25/00/621362500.db2.gz JQKKGCKGEONPPN-LBPRGKRZSA-N 0 3 251.326 1.651 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000787422026 621556842 /nfs/dbraw/zinc/55/68/42/621556842.db2.gz XSOPCUOZIJXTHP-CABZTGNLSA-N 0 3 267.300 1.915 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000787422026 621556857 /nfs/dbraw/zinc/55/68/57/621556857.db2.gz XSOPCUOZIJXTHP-CABZTGNLSA-N 0 3 267.300 1.915 20 10 CDCDHN CCN1CCN([C@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000827500436 685320241 /nfs/dbraw/zinc/32/02/41/685320241.db2.gz AOOLSTXBORETAZ-LLVKDONJSA-N 0 3 297.424 1.210 20 10 CDCDHN COc1cccc([C@H](C)NCc2cnnn2C)c1O ZINC000846169925 685327462 /nfs/dbraw/zinc/32/74/62/685327462.db2.gz HADXFGIZBKNHDZ-VIFPVBQESA-N 0 3 262.313 1.380 20 10 CDCDHN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835575 684388417 /nfs/dbraw/zinc/38/84/17/684388417.db2.gz VAIKWIFHHFQDNJ-NSHDSACASA-N 0 3 292.383 1.249 20 10 CDCDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000775986195 684432660 /nfs/dbraw/zinc/43/26/60/684432660.db2.gz POSRHYJHQFIUBI-WDEREUQCSA-N 0 3 278.352 1.645 20 10 CDCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N(C)C)cc1 ZINC000779431684 684542145 /nfs/dbraw/zinc/54/21/45/684542145.db2.gz BAZZHWSZKKHBHB-UHFFFAOYSA-N 0 3 278.400 1.456 20 10 CDCDHN CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877086775 684588575 /nfs/dbraw/zinc/58/85/75/684588575.db2.gz APKMRVVKCORJDG-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)CC(F)F)CC2 ZINC000717743097 684679491 /nfs/dbraw/zinc/67/94/91/684679491.db2.gz GZLLIRYZJAYSTM-VHSXEESVSA-N 0 3 257.280 1.985 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000835075355 684680742 /nfs/dbraw/zinc/68/07/42/684680742.db2.gz WYOZNEARKHWDAX-CVEARBPZSA-N 0 3 287.407 1.996 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000879647614 684745276 /nfs/dbraw/zinc/74/52/76/684745276.db2.gz GDOQPVCURCIREY-VXGBXAGGSA-N 0 3 278.352 1.290 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000876735529 684815738 /nfs/dbraw/zinc/81/57/38/684815738.db2.gz DPFCLCLIXOUDRJ-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CCc1nncn1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783515766 684944919 /nfs/dbraw/zinc/94/49/19/684944919.db2.gz AXVMCBQPENJUMX-LLVKDONJSA-N 0 3 260.341 1.897 20 10 CDCDHN CCN1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841961000 685983145 /nfs/dbraw/zinc/98/31/45/685983145.db2.gz YXZFOMLZGPVBOU-UHFFFAOYSA-N 0 3 290.411 1.549 20 10 CDCDHN CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000790726977 686055739 /nfs/dbraw/zinc/05/57/39/686055739.db2.gz NHMZFBFWJQZDMI-LLVKDONJSA-N 0 3 278.352 1.702 20 10 CDCDHN COc1ccc(CNC/C=C\CO)cc1Cn1cccn1 ZINC000873135873 686879833 /nfs/dbraw/zinc/87/98/33/686879833.db2.gz OXQKAAMQZHAPGT-IHWYPQMZSA-N 0 3 287.363 1.578 20 10 CDCDHN CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135720021 687161346 /nfs/dbraw/zinc/16/13/46/687161346.db2.gz BNIIWMBFZVHVMG-NSHDSACASA-N 0 3 250.342 1.911 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000701687092 687202040 /nfs/dbraw/zinc/20/20/40/687202040.db2.gz HLDZYZBGLSDECK-NSHDSACASA-N 0 3 264.325 1.667 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c([O-])c1 ZINC000877596677 687357779 /nfs/dbraw/zinc/35/77/79/687357779.db2.gz PXXYXOKUQDTPHE-GFCCVEGCSA-N 0 3 273.340 1.182 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2n[nH]c(C)n2)c1 ZINC000392479050 687363505 /nfs/dbraw/zinc/36/35/05/687363505.db2.gz UKLVLVPZAQFDQN-QMMMGPOBSA-N 0 3 262.313 1.678 20 10 CDCDHN COc1cccc(CNCc2cnc(N(C)C)n2C)c1O ZINC000822482187 687687550 /nfs/dbraw/zinc/68/75/50/687687550.db2.gz ZDTQVYOLZBSRPH-UHFFFAOYSA-N 0 3 290.367 1.490 20 10 CDCDHN [NH3+]C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219838971 687695825 /nfs/dbraw/zinc/69/58/25/687695825.db2.gz DIVZZHPTMGTMKB-SECBINFHSA-N 0 3 285.185 1.935 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[O-] ZINC000843385984 687836731 /nfs/dbraw/zinc/83/67/31/687836731.db2.gz GJGSTYYHBCFERE-ABAIWWIYSA-N 0 3 292.354 1.918 20 10 CDCDHN CCOc1cccc(CN(CC(N)=O)CC(C)C)c1O ZINC000132904718 687904046 /nfs/dbraw/zinc/90/40/46/687904046.db2.gz IMMCUVYVGMBVTQ-UHFFFAOYSA-N 0 3 280.368 1.734 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000129576075 1159028604 /nfs/dbraw/zinc/02/86/04/1159028604.db2.gz QZFQGKIZDXLFII-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000129576075 1159028610 /nfs/dbraw/zinc/02/86/10/1159028610.db2.gz QZFQGKIZDXLFII-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618663 914185972 /nfs/dbraw/zinc/18/59/72/914185972.db2.gz LVJHWJQXIUAGDG-INIZCTEOSA-N 0 3 290.363 1.073 20 10 CDCDHN CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618663 914185980 /nfs/dbraw/zinc/18/59/80/914185980.db2.gz LVJHWJQXIUAGDG-INIZCTEOSA-N 0 3 290.363 1.073 20 10 CDCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CC1=O ZINC001172046255 911181595 /nfs/dbraw/zinc/18/15/95/911181595.db2.gz MYOJIZUENZAIRN-CYBMUJFWSA-N 0 3 262.353 1.835 20 10 CDCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CC1=O ZINC001172046255 911181600 /nfs/dbraw/zinc/18/16/00/911181600.db2.gz MYOJIZUENZAIRN-CYBMUJFWSA-N 0 3 262.353 1.835 20 10 CDCDHN COCCCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055219 936674609 /nfs/dbraw/zinc/67/46/09/936674609.db2.gz OCRAEIACZUIKNR-UHFFFAOYSA-N 0 3 282.359 1.685 20 10 CDCDHN Cc1c(O)ccc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC001140742526 936748649 /nfs/dbraw/zinc/74/86/49/936748649.db2.gz RAUWUKPPRRORPI-NSHDSACASA-N 0 3 287.306 1.856 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141029660 936795262 /nfs/dbraw/zinc/79/52/62/936795262.db2.gz YTNOWOIAYNLNDW-RYUDHWBXSA-N 0 3 293.363 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141029660 936795264 /nfs/dbraw/zinc/79/52/64/936795264.db2.gz YTNOWOIAYNLNDW-RYUDHWBXSA-N 0 3 293.363 1.878 20 10 CDCDHN CCOc1ccc(N2CCN(CC(C)(C)O)CC2)cc1 ZINC001192413510 923091501 /nfs/dbraw/zinc/09/15/01/923091501.db2.gz NYPYLLGLWRWAKL-UHFFFAOYSA-N 0 3 278.396 1.978 20 10 CDCDHN CN(Cc1ccc2c(c1)OCCN2C)[C@@H]1CCOC1 ZINC001141144306 936819489 /nfs/dbraw/zinc/81/94/89/936819489.db2.gz ZCFDLJLRCUCGJA-CYBMUJFWSA-N 0 3 262.353 1.736 20 10 CDCDHN CCc1cccc(CNCC(=O)N(C)OC)c1O ZINC000691484167 925377980 /nfs/dbraw/zinc/37/79/80/925377980.db2.gz TWVUBWYXLJEYBI-UHFFFAOYSA-N 0 3 252.314 1.064 20 10 CDCDHN COCCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142513160 937025748 /nfs/dbraw/zinc/02/57/48/937025748.db2.gz ZQKWLUQNSVXZFR-UHFFFAOYSA-N 0 3 286.322 1.434 20 10 CDCDHN NC(=O)N=Nc1ccc(C(=O)NCCNCCF)cc1 ZINC001153047803 937414872 /nfs/dbraw/zinc/41/48/72/937414872.db2.gz LBHCXNUWYIHTIO-UHFFFAOYSA-N 0 3 281.291 1.138 20 10 CDCDHN CN1CC2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275950155 932162105 /nfs/dbraw/zinc/16/21/05/932162105.db2.gz RGFJFWQEXMHZHA-UHFFFAOYSA-N 0 3 262.353 1.625 20 10 CDCDHN CN1CC2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275950155 932162108 /nfs/dbraw/zinc/16/21/08/932162108.db2.gz RGFJFWQEXMHZHA-UHFFFAOYSA-N 0 3 262.353 1.625 20 10 CDCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1 ZINC001203551846 939693004 /nfs/dbraw/zinc/69/30/04/939693004.db2.gz QFCSMUOSXSDPCV-YUELXQCFSA-N 0 3 290.363 1.212 20 10 CDCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1 ZINC001203551846 939693005 /nfs/dbraw/zinc/69/30/05/939693005.db2.gz QFCSMUOSXSDPCV-YUELXQCFSA-N 0 3 290.363 1.212 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203563228 939693555 /nfs/dbraw/zinc/69/35/55/939693555.db2.gz VZPBEEFGPPZMHK-LBPRGKRZSA-N 0 3 265.309 1.156 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203563228 939693556 /nfs/dbraw/zinc/69/35/56/939693556.db2.gz VZPBEEFGPPZMHK-LBPRGKRZSA-N 0 3 265.309 1.156 20 10 CDCDHN CCN(CCn1cccn1)Cc1ccc(O)c(O)c1 ZINC001203880740 939711390 /nfs/dbraw/zinc/71/13/90/939711390.db2.gz YEXGQRNMFAOIIO-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN O=C1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)N1 ZINC001204274830 939750288 /nfs/dbraw/zinc/75/02/88/939750288.db2.gz UIVLDLKCIUMJGG-MRXNPFEDSA-N 0 3 290.363 1.733 20 10 CDCDHN O=C1CCC[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)N1 ZINC001204274830 939750290 /nfs/dbraw/zinc/75/02/90/939750290.db2.gz UIVLDLKCIUMJGG-MRXNPFEDSA-N 0 3 290.363 1.733 20 10 CDCDHN O=C1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]2CCCN12 ZINC001204280700 939751956 /nfs/dbraw/zinc/75/19/56/939751956.db2.gz CCAIPRLBQYKVCW-GFCCVEGCSA-N 0 3 276.336 1.295 20 10 CDCDHN O=C1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]2CCCN12 ZINC001204280700 939751960 /nfs/dbraw/zinc/75/19/60/939751960.db2.gz CCAIPRLBQYKVCW-GFCCVEGCSA-N 0 3 276.336 1.295 20 10 CDCDHN C[C@@H](C[NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212558 941424143 /nfs/dbraw/zinc/42/41/43/941424143.db2.gz OBOWCMFQCAPNHE-QMMMGPOBSA-N 0 3 293.754 1.805 20 10 CDCDHN [O-]c1c(F)cccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497360 941602303 /nfs/dbraw/zinc/60/23/03/941602303.db2.gz FWYITMCCHFDAPG-KBPBESRZSA-N 0 3 279.359 1.057 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913515 941692791 /nfs/dbraw/zinc/69/27/91/941692791.db2.gz DTHAWENXXKWNNJ-GNXNZQSNSA-N 0 3 276.336 1.041 20 10 CDCDHN C[C@@]1(CO)CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009819 943460357 /nfs/dbraw/zinc/46/03/57/943460357.db2.gz CGPKEWDNLZGBLA-OAHLLOKOSA-N 0 3 281.352 1.788 20 10 CDCDHN Oc1cc(O)c(CN2CCN(CC3CC3)CC2)cc1O ZINC001233485364 943591993 /nfs/dbraw/zinc/59/19/93/943591993.db2.gz SHKJDMMIMWZSSS-UHFFFAOYSA-N 0 3 278.352 1.331 20 10 CDCDHN CC(=O)N(C)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486370 943594329 /nfs/dbraw/zinc/59/43/29/943594329.db2.gz KQEJWUIVXDMSLA-UHFFFAOYSA-N 0 3 294.351 1.246 20 10 CDCDHN [O-]c1c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235001243 944003623 /nfs/dbraw/zinc/00/36/23/944003623.db2.gz LCAZDNDIIMLTRJ-WBVHZDCISA-N 0 3 299.370 1.844 20 10 CDCDHN [O-]c1c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001235001243 944003627 /nfs/dbraw/zinc/00/36/27/944003627.db2.gz LCAZDNDIIMLTRJ-WBVHZDCISA-N 0 3 299.370 1.844 20 10 CDCDHN Cc1cc([O-])c(CN2CC[C@H]([NH3+])C2)cc1Br ZINC001236174084 944423780 /nfs/dbraw/zinc/42/37/80/944423780.db2.gz PHSYUKFSQDXMMM-JTQLQIEISA-N 0 3 285.185 1.996 20 10 CDCDHN CCc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001236784718 944565607 /nfs/dbraw/zinc/56/56/07/944565607.db2.gz ZHSOUCAGAWCDPP-HNNXBMFYSA-N 0 3 276.380 1.471 20 10 CDCDHN CCc1ccc(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001236788077 944567988 /nfs/dbraw/zinc/56/79/88/944567988.db2.gz YIJQOXRFUALHNG-INIZCTEOSA-N 0 3 277.364 1.946 20 10 CDCDHN CC(C)c1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001237048081 944646894 /nfs/dbraw/zinc/64/68/94/944646894.db2.gz PEAOAXWNPDDPJG-ZDUSSCGKSA-N 0 3 262.353 1.965 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001237484307 944810355 /nfs/dbraw/zinc/81/03/55/944810355.db2.gz BESBWUBCAISSLW-CABCVRRESA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001237484307 944810360 /nfs/dbraw/zinc/81/03/60/944810360.db2.gz BESBWUBCAISSLW-CABCVRRESA-N 0 3 265.353 1.266 20 10 CDCDHN CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258480204 948876291 /nfs/dbraw/zinc/87/62/91/948876291.db2.gz VQLTZRUVIQIYEU-SNVBAGLBSA-N 0 3 267.325 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001249172509 949439911 /nfs/dbraw/zinc/43/99/11/949439911.db2.gz OBFYNIUMPPXWQE-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001249172509 949439929 /nfs/dbraw/zinc/43/99/29/949439929.db2.gz OBFYNIUMPPXWQE-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001249172609 949442265 /nfs/dbraw/zinc/44/22/65/949442265.db2.gz OOJLHMLMBMPKNG-UHFFFAOYSA-N 0 3 291.347 1.186 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC001308770466 956579315 /nfs/dbraw/zinc/57/93/15/956579315.db2.gz WRIXXAUWPUGEKU-NSHDSACASA-N 0 3 252.358 1.749 20 10 CDCDHN Nc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC001335286217 959682576 /nfs/dbraw/zinc/68/25/76/959682576.db2.gz WNWRAMSCEFEDRQ-OAHLLOKOSA-N 0 3 273.380 1.856 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000091899626 342409036 /nfs/dbraw/zinc/40/90/36/342409036.db2.gz OUUSADQMXYOIEU-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000091899626 342409037 /nfs/dbraw/zinc/40/90/37/342409037.db2.gz OUUSADQMXYOIEU-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CNC(=O)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180186278 357250000 /nfs/dbraw/zinc/25/00/00/357250000.db2.gz QWILDPUKOOVNBO-UHFFFAOYSA-N 0 3 280.343 1.879 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC[C@H](C)O)cc1OC ZINC000180307693 357261586 /nfs/dbraw/zinc/26/15/86/357261586.db2.gz HMOXOYTZGOSCRF-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC[C@H](C)O)cc1OC ZINC000180307693 357261589 /nfs/dbraw/zinc/26/15/89/357261589.db2.gz HMOXOYTZGOSCRF-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN Cc1cccc(CN2CCO[C@@]3(CCOC3)C2)c1O ZINC000187536003 357776888 /nfs/dbraw/zinc/77/68/88/357776888.db2.gz QXDQDJBZMJELLW-HNNXBMFYSA-N 0 3 263.337 1.692 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610474 359703554 /nfs/dbraw/zinc/70/35/54/359703554.db2.gz ONUAIZSMICXJPS-PELKAZGASA-N 0 3 259.346 1.733 20 10 CDCDHN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000280904234 363676152 /nfs/dbraw/zinc/67/61/52/363676152.db2.gz GATPOUTUPDJBBM-LBPRGKRZSA-N 0 3 296.436 1.980 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCSC1)CC2 ZINC000297744370 200274023 /nfs/dbraw/zinc/27/40/23/200274023.db2.gz OCYMIBHSDSEVEN-RISCZKNCSA-N 0 3 265.378 1.837 20 10 CDCDHN C[C@@H]1COCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000370989986 360691471 /nfs/dbraw/zinc/69/14/71/360691471.db2.gz AOPYJZGVRMQZNV-JTQLQIEISA-N 0 3 265.309 1.589 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000281820626 363845137 /nfs/dbraw/zinc/84/51/37/363845137.db2.gz RBXGRTJSJGWINI-GOSISDBHSA-N 0 3 269.366 1.402 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000372314586 364516339 /nfs/dbraw/zinc/51/63/39/364516339.db2.gz FCXYWZOBRQRSLT-LBPRGKRZSA-N 0 3 290.363 1.798 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1[O-] ZINC000271110789 364929238 /nfs/dbraw/zinc/92/92/38/364929238.db2.gz UESXROGWOUKAEA-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@H](C(=O)OC)C2)c1[O-] ZINC000271110789 364929244 /nfs/dbraw/zinc/92/92/44/364929244.db2.gz UESXROGWOUKAEA-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](C(=O)OC)C2)c1O ZINC000271110789 364929249 /nfs/dbraw/zinc/92/92/49/364929249.db2.gz UESXROGWOUKAEA-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000273371042 365489686 /nfs/dbraw/zinc/48/96/86/365489686.db2.gz CKMOZWBKFUUMPA-WCQYABFASA-N 0 3 282.359 1.903 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000281521607 367651246 /nfs/dbraw/zinc/65/12/46/367651246.db2.gz HSYNYGMXYILUEQ-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530221052 368150373 /nfs/dbraw/zinc/15/03/73/368150373.db2.gz CDJXSGGXRRAGND-WDEREUQCSA-N 0 3 266.341 1.040 20 10 CDCDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000288194399 369415804 /nfs/dbraw/zinc/41/58/04/369415804.db2.gz CFOJFPXTXGIAFJ-VXGBXAGGSA-N 0 3 290.363 1.797 20 10 CDCDHN CN(C)c1ccc(CN2CCCN(C(N)=O)CC2)cc1 ZINC000092753923 390896626 /nfs/dbraw/zinc/89/66/26/390896626.db2.gz OYCRCAAVHGYYHC-UHFFFAOYSA-N 0 3 276.384 1.339 20 10 CDCDHN Cc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1O ZINC000183399380 391263057 /nfs/dbraw/zinc/26/30/57/391263057.db2.gz VALQBTNTGVKFBF-AWEZNQCLSA-N 0 3 264.369 1.463 20 10 CDCDHN C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1[O-] ZINC000183413804 391264532 /nfs/dbraw/zinc/26/45/32/391264532.db2.gz XFQYMXUYIQRJNJ-NSHDSACASA-N 0 3 278.352 1.325 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000193687557 391343776 /nfs/dbraw/zinc/34/37/76/391343776.db2.gz SARGMFAFNGRNSK-QMTHXVAHSA-N 0 3 278.352 1.405 20 10 CDCDHN CCOc1cccc(C[NH2+]CCNC(=O)C(C)C)c1[O-] ZINC000020125236 171008193 /nfs/dbraw/zinc/00/81/93/171008193.db2.gz APUCYVMUQBQJPZ-UHFFFAOYSA-N 0 3 280.368 1.653 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186596885 262101377 /nfs/dbraw/zinc/10/13/77/262101377.db2.gz RCMIHGAOSVCLCZ-HNNXBMFYSA-N 0 3 291.439 1.816 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCCF ZINC000296246981 279548785 /nfs/dbraw/zinc/54/87/85/279548785.db2.gz BAPSIAWLFKZQKX-ONGXEEELSA-N 0 3 266.316 1.443 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(F)ccc1[O-] ZINC000278730068 327188387 /nfs/dbraw/zinc/18/83/87/327188387.db2.gz JCHNBXYDTOJYLR-BHDSKKPTSA-N 0 3 269.316 1.722 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC000234866216 333362487 /nfs/dbraw/zinc/36/24/87/333362487.db2.gz LSYJLLYJTOPBDK-OKILXGFUSA-N 0 3 267.325 1.246 20 10 CDCDHN Oc1ccc(CNc2ncc3c(n2)CNCC3)cc1O ZINC001169993362 1162029712 /nfs/dbraw/zinc/02/97/12/1162029712.db2.gz MQBYQCFZHVIADD-UHFFFAOYSA-N 0 3 272.308 1.146 20 10 CDCDHN CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000274660480 521158683 /nfs/dbraw/zinc/15/86/83/521158683.db2.gz PHNNBENVYYSOFI-AWEZNQCLSA-N 0 3 267.325 1.138 20 10 CDCDHN CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000274660480 521158677 /nfs/dbraw/zinc/15/86/77/521158677.db2.gz PHNNBENVYYSOFI-AWEZNQCLSA-N 0 3 267.325 1.138 20 10 CDCDHN CCNC(=O)C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000277444325 521733581 /nfs/dbraw/zinc/73/35/81/521733581.db2.gz OPYNBGFLAXZCEU-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C)cc1[O-] ZINC000280130283 522867481 /nfs/dbraw/zinc/86/74/81/522867481.db2.gz OXYUAJPUBJPOIO-GOEBONIOSA-N 0 3 291.439 1.987 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)N ZINC000040925572 523265279 /nfs/dbraw/zinc/26/52/79/523265279.db2.gz XVFAKABIFTVNGE-UHFFFAOYSA-N 0 3 291.395 1.219 20 10 CDCDHN C[NH+](C)CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000126203391 524046387 /nfs/dbraw/zinc/04/63/87/524046387.db2.gz SJZAYBQWNRTNGC-UHFFFAOYSA-N 0 3 266.341 1.415 20 10 CDCDHN Cc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O ZINC000279703590 524429618 /nfs/dbraw/zinc/42/96/18/524429618.db2.gz RLYUVBYVKMJFMF-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN Cc1cccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1[O-] ZINC000279703590 524429627 /nfs/dbraw/zinc/42/96/27/524429627.db2.gz RLYUVBYVKMJFMF-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN Cc1cc(CN2CCC(NC(N)=O)CC2)ccc1N(C)C ZINC000292928995 524676622 /nfs/dbraw/zinc/67/66/22/524676622.db2.gz YVMTWDCNPGWEEJ-UHFFFAOYSA-N 0 3 290.411 1.694 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2cnn(C)n2)c1 ZINC000293032381 524768675 /nfs/dbraw/zinc/76/86/75/524768675.db2.gz ADMXERQCVHXTAJ-NSHDSACASA-N 0 3 290.367 1.813 20 10 CDCDHN C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000280548077 525359976 /nfs/dbraw/zinc/35/99/76/525359976.db2.gz DNTMRLSJGBDKJT-HXUWFJFHSA-N 0 3 297.376 1.512 20 10 CDCDHN COc1cccc(CN(C)[C@@H](C)C[S@@](C)=O)c1O ZINC000131141806 525916162 /nfs/dbraw/zinc/91/61/62/525916162.db2.gz LILNWZSEKXJRPI-YPMLDQLKSA-N 0 3 271.382 1.600 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279803482 526019926 /nfs/dbraw/zinc/01/99/26/526019926.db2.gz NSOJYRDIJNQJJJ-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000037155504 526029571 /nfs/dbraw/zinc/02/95/71/526029571.db2.gz KOLLYGRYSAUCTO-NSHDSACASA-N 0 3 261.325 1.776 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CCN1CCCOCC1 ZINC000289467614 526371875 /nfs/dbraw/zinc/37/18/75/526371875.db2.gz PBPMRRKCVWIUIL-UHFFFAOYSA-N 0 3 250.342 1.204 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000770383453 575443577 /nfs/dbraw/zinc/44/35/77/575443577.db2.gz VLBWQODCJMEJTG-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000770383453 575443580 /nfs/dbraw/zinc/44/35/80/575443580.db2.gz VLBWQODCJMEJTG-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN CCCN(C)CC(=O)NCc1cccc(OC)c1O ZINC000730282025 574909906 /nfs/dbraw/zinc/90/99/06/574909906.db2.gz BHZPQRFGPQCBAC-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CO[C@H](CNCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000733329182 575114968 /nfs/dbraw/zinc/11/49/68/575114968.db2.gz OVKJNMZHDPBSHA-LLVKDONJSA-N 0 3 293.241 1.788 20 10 CDCDHN C[C@H]([NH2+]CCOCCN(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774377103 575201745 /nfs/dbraw/zinc/20/17/45/575201745.db2.gz PXVBRYZMOZTAPF-NSHDSACASA-N 0 3 297.355 1.529 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCOC1 ZINC000769532227 575357090 /nfs/dbraw/zinc/35/70/90/575357090.db2.gz IDSLJRCXGFFSOM-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCOC1 ZINC000769532227 575357093 /nfs/dbraw/zinc/35/70/93/575357093.db2.gz IDSLJRCXGFFSOM-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN CN1CCN(c2ccc(CNCc3cocn3)cc2)CC1 ZINC000771850891 575627496 /nfs/dbraw/zinc/62/74/96/575627496.db2.gz VVEYUTHWAZWQQI-UHFFFAOYSA-N 0 3 286.379 1.716 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000768193270 576263601 /nfs/dbraw/zinc/26/36/01/576263601.db2.gz ZUYGEUQQGHHCAZ-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446219 576284089 /nfs/dbraw/zinc/28/40/89/576284089.db2.gz LCXPKFKSIRWELT-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446219 576284090 /nfs/dbraw/zinc/28/40/90/576284090.db2.gz LCXPKFKSIRWELT-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN COCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768448728 576284687 /nfs/dbraw/zinc/28/46/87/576284687.db2.gz WEJSXXNZIBHDOW-HNNXBMFYSA-N 0 3 293.363 1.676 20 10 CDCDHN CCC1(O)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768465331 576287223 /nfs/dbraw/zinc/28/72/23/576287223.db2.gz GZKQWZIVNPVQGU-CQSZACIVSA-N 0 3 293.363 1.555 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000769384698 576350725 /nfs/dbraw/zinc/35/07/25/576350725.db2.gz TYUCDICGSOEBNH-LBPRGKRZSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000769384698 576350726 /nfs/dbraw/zinc/35/07/26/576350726.db2.gz TYUCDICGSOEBNH-LBPRGKRZSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000769450430 576355133 /nfs/dbraw/zinc/35/51/33/576355133.db2.gz CTTHXKVFXZGOSG-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000769450430 576355135 /nfs/dbraw/zinc/35/51/35/576355135.db2.gz CTTHXKVFXZGOSG-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN COc1cc(O)c(CN(C)C2CC(O)C2)cc1OC ZINC000761221223 576560831 /nfs/dbraw/zinc/56/08/31/576560831.db2.gz BZJAEIMMFFBCGK-UHFFFAOYSA-N 0 3 267.325 1.365 20 10 CDCDHN CO[C@@]1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000763479411 576738565 /nfs/dbraw/zinc/73/85/65/576738565.db2.gz IQJICLZOUDNNTQ-OAHLLOKOSA-N 0 3 265.353 1.904 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c([O-])c1O ZINC000751537840 577049295 /nfs/dbraw/zinc/04/92/95/577049295.db2.gz JTRXBZJFQMYESR-GFCCVEGCSA-N 0 3 290.363 1.620 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c([O-])c1O ZINC000751537840 577049298 /nfs/dbraw/zinc/04/92/98/577049298.db2.gz JTRXBZJFQMYESR-GFCCVEGCSA-N 0 3 290.363 1.620 20 10 CDCDHN COc1cc(C)cc(CNC[C@@H](O)C(F)(F)F)c1O ZINC000894201148 618693066 /nfs/dbraw/zinc/69/30/66/618693066.db2.gz WTLUXYSYOIOPDO-SNVBAGLBSA-N 0 3 279.258 1.722 20 10 CDCDHN COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000894213175 618729009 /nfs/dbraw/zinc/72/90/09/618729009.db2.gz LYRYNJUNQRHXTB-KOLCDFICSA-N 0 3 271.263 1.536 20 10 CDCDHN COc1ccc(CN[C@@H]2C(=O)NCC2(C)C)c(O)c1OC ZINC000895434464 619660887 /nfs/dbraw/zinc/66/08/87/619660887.db2.gz VXMQSGRWMUGKMY-CYBMUJFWSA-N 0 3 294.351 1.024 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202699 620413395 /nfs/dbraw/zinc/41/33/95/620413395.db2.gz WOFGFZNQKUITRU-LBPRGKRZSA-N 0 3 255.289 1.426 20 10 CDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877048650 630593005 /nfs/dbraw/zinc/59/30/05/630593005.db2.gz NRAZQAPSEHQUMZ-ZWNOBZJWSA-N 0 3 255.383 1.903 20 10 CDCDHN COC1(C[NH2+]Cc2c(C)cccc2[O-])CCOCC1 ZINC000877113257 693911521 /nfs/dbraw/zinc/91/15/21/693911521.db2.gz FSRJFNGEULOWNZ-UHFFFAOYSA-N 0 3 265.353 1.986 20 10 CDCDHN COCCOCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876903190 688350179 /nfs/dbraw/zinc/35/01/79/688350179.db2.gz SHIDQOZIKQUFDY-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H](CO)[C@@H](C)O)cc1F ZINC000842221169 688435410 /nfs/dbraw/zinc/43/54/10/688435410.db2.gz OHNOPSBJFDLEDE-BXUZGUMPSA-N 0 3 284.375 1.503 20 10 CDCDHN CCC[N@H+](CC)CCNC(=O)c1cccc(O)c1[O-] ZINC000193119441 688629566 /nfs/dbraw/zinc/62/95/66/688629566.db2.gz WIDRGCXXIWJEEU-UHFFFAOYSA-N 0 3 266.341 1.560 20 10 CDCDHN CCC[N@@H+](CC)CCNC(=O)c1cccc(O)c1[O-] ZINC000193119441 688629575 /nfs/dbraw/zinc/62/95/75/688629575.db2.gz WIDRGCXXIWJEEU-UHFFFAOYSA-N 0 3 266.341 1.560 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000835060437 688756857 /nfs/dbraw/zinc/75/68/57/688756857.db2.gz LRIMVGAAUIAQGI-CQSZACIVSA-N 0 3 298.770 1.813 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN2CCCOCC2)c([O-])c1 ZINC000809750841 694232382 /nfs/dbraw/zinc/23/23/82/694232382.db2.gz JYWCZHQNHZCVEU-UHFFFAOYSA-N 0 3 294.395 1.603 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1cncn1)CC2 ZINC000381701042 694346990 /nfs/dbraw/zinc/34/69/90/694346990.db2.gz OUSQLOQSEGBIHB-GFCCVEGCSA-N 0 3 258.325 1.651 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCCN2)c1 ZINC000817949688 694368490 /nfs/dbraw/zinc/36/84/90/694368490.db2.gz MIWYUKGWTWESNZ-WCQYABFASA-N 0 3 292.379 1.972 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949688 694368494 /nfs/dbraw/zinc/36/84/94/694368494.db2.gz MIWYUKGWTWESNZ-WCQYABFASA-N 0 3 292.379 1.972 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000876541516 694453064 /nfs/dbraw/zinc/45/30/64/694453064.db2.gz FWHYUVUZNCHGII-OAHLLOKOSA-N 0 3 290.407 1.997 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC000858546882 692334713 /nfs/dbraw/zinc/33/47/13/692334713.db2.gz AWPPLYQJYSUFIW-OLZOCXBDSA-N 0 3 262.353 1.036 20 10 CDCDHN CCS(=O)(=O)CCNCc1ccc(C)cc1O ZINC000877005653 692702036 /nfs/dbraw/zinc/70/20/36/692702036.db2.gz KPINCVRNTQJZQZ-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000877493478 692755338 /nfs/dbraw/zinc/75/53/38/692755338.db2.gz BWHTWJGNXPRWLI-OLZOCXBDSA-N 0 3 265.353 1.435 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817952621 692843977 /nfs/dbraw/zinc/84/39/77/692843977.db2.gz RWIMDHOHGIXWFU-ZYHUDNBSSA-N 0 3 278.352 1.581 20 10 CDCDHN Cc1cc(CN2CCN(C)C[C@@H]2CO)ccc1N(C)C ZINC000879000713 692873920 /nfs/dbraw/zinc/87/39/20/692873920.db2.gz IAORAIUDFJZDIY-OAHLLOKOSA-N 0 3 277.412 1.169 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000877489019 693008484 /nfs/dbraw/zinc/00/84/84/693008484.db2.gz JPMCHYNYLPWVFS-BXUZGUMPSA-N 0 3 251.326 1.330 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000877618148 693023842 /nfs/dbraw/zinc/02/38/42/693023842.db2.gz JBYKBSWKIRDJGB-GFCCVEGCSA-N 0 3 272.352 1.476 20 10 CDCDHN CCOc1ccc(O)c(CN(C)[C@]2(CO)CCOC2)c1 ZINC000862427137 693057380 /nfs/dbraw/zinc/05/73/80/693057380.db2.gz UJFPKPFYVYLXQT-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCCN(C)CC(=O)NCc1cc(C)ccc1O ZINC000862759386 693115727 /nfs/dbraw/zinc/11/57/27/693115727.db2.gz CZXDRVLRHYNKPQ-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN COC1(C[NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877113813 694588060 /nfs/dbraw/zinc/58/80/60/694588060.db2.gz PJUGUQCRLDQFKE-UHFFFAOYSA-N 0 3 265.353 1.986 20 10 CDCDHN [O-]c1c(F)cccc1CN1CCC([NH2+]CCO)CC1 ZINC000873217956 693277135 /nfs/dbraw/zinc/27/71/35/693277135.db2.gz VVOXOAFDXZLGKQ-UHFFFAOYSA-N 0 3 268.332 1.078 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@]1(CO)CCOC1 ZINC000862426264 693295779 /nfs/dbraw/zinc/29/57/79/693295779.db2.gz BYPDJZKTECXBPB-CYBMUJFWSA-N 0 3 255.289 1.115 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@]1(CO)CCOC1 ZINC000862426264 693295785 /nfs/dbraw/zinc/29/57/85/693295785.db2.gz BYPDJZKTECXBPB-CYBMUJFWSA-N 0 3 255.289 1.115 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCC2)c1 ZINC000135728571 693365758 /nfs/dbraw/zinc/36/57/58/693365758.db2.gz XQKZEAJQEGCBIS-LLVKDONJSA-N 0 3 278.352 1.674 20 10 CDCDHN CN(C)c1ccc(CNCc2cnc3n2CCOC3)cc1 ZINC000921496113 693463582 /nfs/dbraw/zinc/46/35/82/693463582.db2.gz NQPUUQXXLJQFTM-UHFFFAOYSA-N 0 3 286.379 1.769 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNC2CC2)c1 ZINC000817952556 694700950 /nfs/dbraw/zinc/70/09/50/694700950.db2.gz FVVTYJHYPSVCKH-SNVBAGLBSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NCC[NH2+]C2CC2)c1 ZINC000817952556 694700955 /nfs/dbraw/zinc/70/09/55/694700955.db2.gz FVVTYJHYPSVCKH-SNVBAGLBSA-N 0 3 278.352 1.581 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(CO)(CO)CC2)c([O-])c1 ZINC000877797289 694719501 /nfs/dbraw/zinc/71/95/01/694719501.db2.gz FVIGBPRJKCZAQY-UHFFFAOYSA-N 0 3 295.379 1.358 20 10 CDCDHN CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877086774 694742313 /nfs/dbraw/zinc/74/23/13/694742313.db2.gz APKMRVVKCORJDG-GFCCVEGCSA-N 0 3 262.353 1.801 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966366 694888743 /nfs/dbraw/zinc/88/87/43/694888743.db2.gz MFTOTLTXEMLUPW-BDAKNGLRSA-N 0 3 252.314 1.177 20 10 CDCDHN COc1cccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281160563 694897076 /nfs/dbraw/zinc/89/70/76/694897076.db2.gz GECCUICUEGJWRE-NEPJUHHUSA-N 0 3 292.335 1.331 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1F ZINC000884205473 695051790 /nfs/dbraw/zinc/05/17/90/695051790.db2.gz XTQNHHVLZYHGEV-ZDUSSCGKSA-N 0 3 279.359 1.635 20 10 CDCDHN COC[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)O1 ZINC000877465164 695146555 /nfs/dbraw/zinc/14/65/55/695146555.db2.gz VNKFYHCCZPIJHV-OLZOCXBDSA-N 0 3 265.353 1.936 20 10 CDCDHN Cc1cc([O-])c(CN2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC001579637885 1172230675 /nfs/dbraw/zinc/23/06/75/1172230675.db2.gz GKYCMXHAKOVCOP-GFCCVEGCSA-N 0 3 283.803 1.429 20 10 CDCDHN CC(C)O[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000842611408 723378837 /nfs/dbraw/zinc/37/88/37/723378837.db2.gz ZDFLTRCSCIJSHL-DOMZBBRYSA-N 0 3 293.363 1.817 20 10 CDCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000842611408 723378842 /nfs/dbraw/zinc/37/88/42/723378842.db2.gz ZDFLTRCSCIJSHL-DOMZBBRYSA-N 0 3 293.363 1.817 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccccc1[O-] ZINC000879648995 723416211 /nfs/dbraw/zinc/41/62/11/723416211.db2.gz IRFHFZVBQAMANY-ZJUUUORDSA-N 0 3 291.351 1.420 20 10 CDCDHN CCN1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000391649071 723652344 /nfs/dbraw/zinc/65/23/44/723652344.db2.gz WBUREIQPBQNTPX-LLVKDONJSA-N 0 3 298.770 1.765 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000835075357 723688935 /nfs/dbraw/zinc/68/89/35/723688935.db2.gz WYOZNEARKHWDAX-HZPDHXFCSA-N 0 3 287.407 1.996 20 10 CDCDHN C[C@@H](NC[C@@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964499 723441968 /nfs/dbraw/zinc/44/19/68/723441968.db2.gz AQHPGRNGWOUSDV-PRHODGIISA-N 0 3 265.313 1.688 20 10 CDCDHN C=Cn1cc(CNCc2cc(OC)ccc2O)cn1 ZINC000194312354 723468346 /nfs/dbraw/zinc/46/83/46/723468346.db2.gz RMECUCYTNSKLBX-UHFFFAOYSA-N 0 3 259.309 1.988 20 10 CDCDHN CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877083961 1165972138 /nfs/dbraw/zinc/97/21/38/1165972138.db2.gz CGHJWGSNJGVSNW-ZDUSSCGKSA-N 0 3 277.368 1.594 20 10 CDCDHN CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649137 1166392769 /nfs/dbraw/zinc/39/27/69/1166392769.db2.gz MQRAZPDJYSIMMS-GHMZBOCLSA-N 0 3 293.367 1.666 20 10 CDCDHN COc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c([O-])c1 ZINC000092538911 900817695 /nfs/dbraw/zinc/81/76/95/900817695.db2.gz QDKIFNNGUMHLMD-UHFFFAOYSA-N 0 3 292.379 1.844 20 10 CDCDHN C[NH2+][C@@]12CC[C@@](NC(=O)c3cccc(O)c3[O-])(C1)CCC2 ZINC001269607756 903975622 /nfs/dbraw/zinc/97/56/22/903975622.db2.gz IXWNNWPSMWWXFX-JKSUJKDBSA-N 0 3 290.363 1.892 20 10 CDCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)NC ZINC000697915073 909575659 /nfs/dbraw/zinc/57/56/59/909575659.db2.gz FTLKIIJPMSLADY-SNVBAGLBSA-N 0 3 286.759 1.668 20 10 CDCDHN CCN(CC)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001180390238 916310087 /nfs/dbraw/zinc/31/00/87/916310087.db2.gz WIUGXYOLNZGUQM-UHFFFAOYSA-N 0 3 292.379 1.714 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236809489 916532949 /nfs/dbraw/zinc/53/29/49/916532949.db2.gz WGTNGTIZFKODQL-MNOVXSKESA-N 0 3 251.326 1.664 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236809489 916532960 /nfs/dbraw/zinc/53/29/60/916532960.db2.gz WGTNGTIZFKODQL-MNOVXSKESA-N 0 3 251.326 1.664 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001203620750 919677710 /nfs/dbraw/zinc/67/77/10/919677710.db2.gz HNKRPCIUMWYJQZ-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001203620750 919677716 /nfs/dbraw/zinc/67/77/16/919677716.db2.gz HNKRPCIUMWYJQZ-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COCCN1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140181988 936684949 /nfs/dbraw/zinc/68/49/49/936684949.db2.gz ZEWXTCNEDOPXOE-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN Cc1c(O)ccc(CN2CCC[C@H]2C(=O)N(C)C)c1O ZINC001140748992 936749795 /nfs/dbraw/zinc/74/97/95/936749795.db2.gz NATPTWCOFNDSOD-LBPRGKRZSA-N 0 3 278.352 1.459 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031256 936794714 /nfs/dbraw/zinc/79/47/14/936794714.db2.gz AGWVFTMBSNUGDY-MFKMUULPSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031256 936794716 /nfs/dbraw/zinc/79/47/16/936794716.db2.gz AGWVFTMBSNUGDY-MFKMUULPSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc(O)c(CN(C)[C@@H]2CCOC2)c(OC)c1 ZINC001141028231 936794290 /nfs/dbraw/zinc/79/42/90/936794290.db2.gz GRHQECMWUPAMHG-SNVBAGLBSA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NC(C)C)c1O ZINC000846172961 931985028 /nfs/dbraw/zinc/98/50/28/931985028.db2.gz OEELWYGQZODDGT-WDEREUQCSA-N 0 3 280.368 1.965 20 10 CDCDHN C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589820 932754870 /nfs/dbraw/zinc/75/48/70/932754870.db2.gz MMASVTQYUHVRBD-SNVBAGLBSA-N 0 3 280.324 1.018 20 10 CDCDHN C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589820 932754876 /nfs/dbraw/zinc/75/48/76/932754876.db2.gz MMASVTQYUHVRBD-SNVBAGLBSA-N 0 3 280.324 1.018 20 10 CDCDHN CN(C)c1ccc(CN(C)c2cc(CN)ncn2)cc1 ZINC001156924282 938435373 /nfs/dbraw/zinc/43/53/73/938435373.db2.gz VQTZEOFKHZSECZ-UHFFFAOYSA-N 0 3 271.368 1.638 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001203562694 939693548 /nfs/dbraw/zinc/69/35/48/939693548.db2.gz OPQQSARMAVWCNF-CYBMUJFWSA-N 0 3 271.320 1.836 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001203562694 939693549 /nfs/dbraw/zinc/69/35/49/939693549.db2.gz OPQQSARMAVWCNF-CYBMUJFWSA-N 0 3 271.320 1.836 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cccc(OC)c3O)C[C@@H]21 ZINC001203599901 939695684 /nfs/dbraw/zinc/69/56/84/939695684.db2.gz MVPLSBHWRZIJKQ-IMRBUKKESA-N 0 3 291.347 1.642 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001203931471 939714675 /nfs/dbraw/zinc/71/46/75/939714675.db2.gz QTJATRNDBXJNDV-JKSUJKDBSA-N 0 3 278.396 1.318 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204277796 939751217 /nfs/dbraw/zinc/75/12/17/939751217.db2.gz AFWCXZIMHXBWKP-NSHDSACASA-N 0 3 265.309 1.625 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204277796 939751219 /nfs/dbraw/zinc/75/12/19/939751219.db2.gz AFWCXZIMHXBWKP-NSHDSACASA-N 0 3 265.309 1.625 20 10 CDCDHN COC(=O)CC[N@H+](Cc1ccc(O)cc1[O-])C1CC1 ZINC001204277240 939751307 /nfs/dbraw/zinc/75/13/07/939751307.db2.gz ABUZHTMSHOSHRN-UHFFFAOYSA-N 0 3 265.309 1.625 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1ccc(O)cc1[O-])C1CC1 ZINC001204277240 939751308 /nfs/dbraw/zinc/75/13/08/939751308.db2.gz ABUZHTMSHOSHRN-UHFFFAOYSA-N 0 3 265.309 1.625 20 10 CDCDHN CN1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001204279621 939752469 /nfs/dbraw/zinc/75/24/69/939752469.db2.gz CUHWDUQDVSIPEM-UHFFFAOYSA-N 0 3 290.363 1.542 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2nccn2CC1 ZINC001204279528 939752575 /nfs/dbraw/zinc/75/25/75/939752575.db2.gz AGYNGSBGDJCZKD-UHFFFAOYSA-N 0 3 259.309 1.353 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2nccn2CC1 ZINC001204279528 939752578 /nfs/dbraw/zinc/75/25/78/939752578.db2.gz AGYNGSBGDJCZKD-UHFFFAOYSA-N 0 3 259.309 1.353 20 10 CDCDHN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277441510 942577067 /nfs/dbraw/zinc/57/70/67/942577067.db2.gz MTHPSGLOCMJXRD-XXSPCDMZSA-N 0 3 260.337 1.382 20 10 CDCDHN COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)c(O)cc1O ZINC001231637174 942952424 /nfs/dbraw/zinc/95/24/24/942952424.db2.gz HUXVEQWKZVPLOD-TXEJJXNPSA-N 0 3 278.352 1.385 20 10 CDCDHN Cc1cc(C)c(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001231842459 943025415 /nfs/dbraw/zinc/02/54/15/943025415.db2.gz MNVSLJVNWYIHLN-HNNXBMFYSA-N 0 3 290.407 1.916 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@]3(CCCO3)C2)cc1O ZINC001233483216 943592032 /nfs/dbraw/zinc/59/20/32/943592032.db2.gz RAKRCHUGPKRXII-AWEZNQCLSA-N 0 3 265.309 1.558 20 10 CDCDHN [O-]c1c(C[N@H+]2CC[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727928 943647243 /nfs/dbraw/zinc/64/72/43/943647243.db2.gz RTYNJXZWSMRDFS-SECBINFHSA-N 0 3 277.242 1.857 20 10 CDCDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727928 943647245 /nfs/dbraw/zinc/64/72/45/943647245.db2.gz RTYNJXZWSMRDFS-SECBINFHSA-N 0 3 277.242 1.857 20 10 CDCDHN CCc1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001236785900 944569148 /nfs/dbraw/zinc/56/91/48/944569148.db2.gz ARCZIFYTTZVEBZ-UHFFFAOYSA-N 0 3 263.337 1.903 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001236827954 944585515 /nfs/dbraw/zinc/58/55/15/944585515.db2.gz XJPDDXPIKGGVHU-YOEHRIQHSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001236827954 944585520 /nfs/dbraw/zinc/58/55/20/944585520.db2.gz XJPDDXPIKGGVHU-YOEHRIQHSA-N 0 3 287.359 1.721 20 10 CDCDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001262602537 946759793 /nfs/dbraw/zinc/75/97/93/946759793.db2.gz DXHQBBDYMVFBPV-CQSZACIVSA-N 0 3 276.384 1.552 20 10 CDCDHN COC[C@@H](C)N1CCCc2cc(O)c(O)cc2C1 ZINC001255577602 948004668 /nfs/dbraw/zinc/00/46/68/948004668.db2.gz AGUQWTISWNEWGI-SNVBAGLBSA-N 0 3 251.326 1.881 20 10 CDCDHN COC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001258362229 948787642 /nfs/dbraw/zinc/78/76/42/948787642.db2.gz YCQADGXMINVBNB-SECBINFHSA-N 0 3 253.298 1.529 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001249201186 949455518 /nfs/dbraw/zinc/45/55/18/949455518.db2.gz JNTBSYORPUUAAA-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001249201186 949455527 /nfs/dbraw/zinc/45/55/27/949455527.db2.gz JNTBSYORPUUAAA-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN CC[C@@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001251780378 950813354 /nfs/dbraw/zinc/81/33/54/950813354.db2.gz LGSLFLCHNPUJBX-GFCCVEGCSA-N 0 3 251.326 1.617 20 10 CDCDHN C[NH2+][C@H](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325743049 954053893 /nfs/dbraw/zinc/05/38/93/954053893.db2.gz ITSKDHCZFLZOAH-NXEZZACHSA-N 0 3 267.329 1.949 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000180865344 357291139 /nfs/dbraw/zinc/29/11/39/357291139.db2.gz SJOGUTFUZKKDHW-MNOVXSKESA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000180865344 357291140 /nfs/dbraw/zinc/29/11/40/357291140.db2.gz SJOGUTFUZKKDHW-MNOVXSKESA-N 0 3 281.352 1.612 20 10 CDCDHN C[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154624299 363590723 /nfs/dbraw/zinc/59/07/23/363590723.db2.gz SMOFYFXZTAFJSX-ZDUSSCGKSA-N 0 3 275.396 1.853 20 10 CDCDHN Cc1cc([O-])c(CN2CC[NH2+][C@H](CCO)C2)cc1Cl ZINC001579637961 1172230937 /nfs/dbraw/zinc/23/09/37/1172230937.db2.gz KYLOIDGBPKCRCV-GFCCVEGCSA-N 0 3 284.787 1.510 20 10 CDCDHN C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000189563236 358026087 /nfs/dbraw/zinc/02/60/87/358026087.db2.gz PIZRJKKKZUQRHE-JTQLQIEISA-N 0 3 264.325 1.122 20 10 CDCDHN CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107022 358265168 /nfs/dbraw/zinc/26/51/68/358265168.db2.gz NKPPYISQYIQPRP-GFCCVEGCSA-N 0 3 292.379 1.902 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1[O-] ZINC000294827698 199201339 /nfs/dbraw/zinc/20/13/39/199201339.db2.gz LDNXGTYVULXMJG-OAHLLOKOSA-N 0 3 278.396 1.890 20 10 CDCDHN C[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167861014 364952872 /nfs/dbraw/zinc/95/28/72/364952872.db2.gz PKYSVOSWZJHZBO-ZDUSSCGKSA-N 0 3 275.396 1.886 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272559704 365293933 /nfs/dbraw/zinc/29/39/33/365293933.db2.gz SXBRBXPLXZECGC-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272559704 365293941 /nfs/dbraw/zinc/29/39/41/365293941.db2.gz SXBRBXPLXZECGC-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000273382186 365491740 /nfs/dbraw/zinc/49/17/40/365491740.db2.gz IOAAXIHIHLHZJW-DGCLKSJQSA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000273382186 365491745 /nfs/dbraw/zinc/49/17/45/365491745.db2.gz IOAAXIHIHLHZJW-DGCLKSJQSA-N 0 3 282.359 1.639 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000288492766 369457496 /nfs/dbraw/zinc/45/74/96/369457496.db2.gz HLIOGHXQKIIQIK-GXFFZTMASA-N 0 3 299.392 1.314 20 10 CDCDHN CCc1nc(CNCc2cc(C)c(C)cc2O)n[nH]1 ZINC000295932102 371521432 /nfs/dbraw/zinc/52/14/32/371521432.db2.gz FSPFKVFTVFZQKC-UHFFFAOYSA-N 0 3 260.341 1.979 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000294200589 378618109 /nfs/dbraw/zinc/61/81/09/378618109.db2.gz XUUOELCLNWBMIC-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000294200589 378618111 /nfs/dbraw/zinc/61/81/11/378618111.db2.gz XUUOELCLNWBMIC-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036932550 260052262 /nfs/dbraw/zinc/05/22/62/260052262.db2.gz RDUPMSAWXOWDNH-LBPRGKRZSA-N 0 3 280.368 1.211 20 10 CDCDHN COC[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000234839589 285380259 /nfs/dbraw/zinc/38/02/59/285380259.db2.gz LMPBDKRPRPPPJI-YPMHNXCESA-N 0 3 252.358 1.411 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c1 ZINC000093361213 390901978 /nfs/dbraw/zinc/90/19/78/390901978.db2.gz ZPPHFHBNWVJDQR-GFCCVEGCSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NC)C2)c1 ZINC000093361213 390901979 /nfs/dbraw/zinc/90/19/79/390901979.db2.gz ZPPHFHBNWVJDQR-GFCCVEGCSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000179490283 391207656 /nfs/dbraw/zinc/20/76/56/391207656.db2.gz SCOAMNKPHGXDSC-AWEZNQCLSA-N 0 3 274.364 1.944 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000179573218 391211789 /nfs/dbraw/zinc/21/17/89/391211789.db2.gz RAUSKJOTQFJKNG-CYBMUJFWSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179573218 391211792 /nfs/dbraw/zinc/21/17/92/391211792.db2.gz RAUSKJOTQFJKNG-CYBMUJFWSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000376040732 391212362 /nfs/dbraw/zinc/21/23/62/391212362.db2.gz BZAPAWFNZDJITL-AWEZNQCLSA-N 0 3 251.301 1.878 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000376040732 391212364 /nfs/dbraw/zinc/21/23/64/391212364.db2.gz BZAPAWFNZDJITL-AWEZNQCLSA-N 0 3 251.301 1.878 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000193687570 391344215 /nfs/dbraw/zinc/34/42/15/391344215.db2.gz SARGMFAFNGRNSK-YGRLFVJLSA-N 0 3 278.352 1.405 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C2CCN(C)CC2)cc1F ZINC000172721076 391856979 /nfs/dbraw/zinc/85/69/79/391856979.db2.gz FJZNDPMXBWCDPS-UHFFFAOYSA-N 0 3 293.386 1.850 20 10 CDCDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000022177268 171370984 /nfs/dbraw/zinc/37/09/84/171370984.db2.gz WDJSAEWMCJKRNY-CQSZACIVSA-N 0 3 261.369 1.412 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036932551 260052559 /nfs/dbraw/zinc/05/25/59/260052559.db2.gz RDUPMSAWXOWDNH-GFCCVEGCSA-N 0 3 280.368 1.211 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)CCOC)c1[O-] ZINC000172070712 261069530 /nfs/dbraw/zinc/06/95/30/261069530.db2.gz UKDFJHKGVNNEMA-HNNXBMFYSA-N 0 3 283.368 1.668 20 10 CDCDHN OCCN(Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000153623941 261081479 /nfs/dbraw/zinc/08/14/79/261081479.db2.gz HVRTUNIQKMIRNR-UHFFFAOYSA-N 0 3 251.282 1.078 20 10 CDCDHN CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1[O-] ZINC000155606202 261104720 /nfs/dbraw/zinc/10/47/20/261104720.db2.gz XQUBVBUUBWUDPD-LBPRGKRZSA-N 0 3 271.382 1.868 20 10 CDCDHN Cc1ccc(C(=O)NCCN2CCCCC2)c(O)c1O ZINC000177672269 261710802 /nfs/dbraw/zinc/71/08/02/261710802.db2.gz DLGLCXVZHGBPMP-UHFFFAOYSA-N 0 3 278.352 1.622 20 10 CDCDHN C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1[O-] ZINC000183720495 261985788 /nfs/dbraw/zinc/98/57/88/261985788.db2.gz QPXSHQXYHXNVJO-SNVBAGLBSA-N 0 3 274.324 1.196 20 10 CDCDHN COc1cc(Cl)cc(CN2CCC(C(N)=O)CC2)c1O ZINC000184672277 262026301 /nfs/dbraw/zinc/02/63/01/262026301.db2.gz DWAZMLZZGHVUTM-UHFFFAOYSA-N 0 3 298.770 1.752 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638655 262063555 /nfs/dbraw/zinc/06/35/55/262063555.db2.gz KOMBBFOKVMFHOA-QMTHXVAHSA-N 0 3 283.393 1.919 20 10 CDCDHN CNC(=O)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688067 262292424 /nfs/dbraw/zinc/29/24/24/262292424.db2.gz UBQGKPLMJAOELJ-UHFFFAOYSA-N 0 3 286.759 1.622 20 10 CDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688067 262292425 /nfs/dbraw/zinc/29/24/25/262292425.db2.gz UBQGKPLMJAOELJ-UHFFFAOYSA-N 0 3 286.759 1.622 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000184710565 262295845 /nfs/dbraw/zinc/29/58/45/262295845.db2.gz LGRBPFKFAWODMV-CYBMUJFWSA-N 0 3 287.743 1.295 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC000278566664 263049209 /nfs/dbraw/zinc/04/92/09/263049209.db2.gz DCMAWTIOJARLPY-DOMZBBRYSA-N 0 3 265.353 1.639 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368131608 267146317 /nfs/dbraw/zinc/14/63/17/267146317.db2.gz AWNGWLCSTQFXGG-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368131608 267146319 /nfs/dbraw/zinc/14/63/19/267146319.db2.gz AWNGWLCSTQFXGG-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1OC ZINC000369677486 267259987 /nfs/dbraw/zinc/25/99/87/267259987.db2.gz XJIWEHJIZPUZCP-INIZCTEOSA-N 0 3 293.363 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1OC ZINC000369677486 267259988 /nfs/dbraw/zinc/25/99/88/267259988.db2.gz XJIWEHJIZPUZCP-INIZCTEOSA-N 0 3 293.363 1.756 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000163297991 328488368 /nfs/dbraw/zinc/48/83/68/328488368.db2.gz YCCPZARVMXMIJQ-MNOVXSKESA-N 0 3 251.326 1.915 20 10 CDCDHN C[C@@H](CO)CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000230161349 333315414 /nfs/dbraw/zinc/31/54/14/333315414.db2.gz QQJUMHBTAMFWAC-SNVBAGLBSA-N 0 3 267.325 1.619 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000231843111 333330341 /nfs/dbraw/zinc/33/03/41/333330341.db2.gz HNNZTZWABKEWCD-LBPRGKRZSA-N 0 3 264.369 1.960 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000234966416 333363536 /nfs/dbraw/zinc/36/35/36/333363536.db2.gz UHDWHLCTJYOKHJ-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000234966416 333363537 /nfs/dbraw/zinc/36/35/37/333363537.db2.gz UHDWHLCTJYOKHJ-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281004015 522307409 /nfs/dbraw/zinc/30/74/09/522307409.db2.gz NTPMXMZAVHRNPH-SMDDNHRTSA-N 0 3 279.380 1.929 20 10 CDCDHN COC(=O)C1(CNCc2ccc(N(C)C)c(F)c2)CC1 ZINC000275342753 522830709 /nfs/dbraw/zinc/83/07/09/522830709.db2.gz XLOCLFIHCUOUGD-UHFFFAOYSA-N 0 3 280.343 1.935 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000367738458 524391875 /nfs/dbraw/zinc/39/18/75/524391875.db2.gz AVHLDNUOBCEVPQ-AWEZNQCLSA-N 0 3 289.379 1.690 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000367738458 524391886 /nfs/dbraw/zinc/39/18/86/524391886.db2.gz AVHLDNUOBCEVPQ-AWEZNQCLSA-N 0 3 289.379 1.690 20 10 CDCDHN Cc1cc(CN(CCO)CCCO)ccc1N(C)C ZINC000293080821 524668638 /nfs/dbraw/zinc/66/86/38/524668638.db2.gz MLXHFPWLHHZGJL-UHFFFAOYSA-N 0 3 266.385 1.238 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280427697 524771965 /nfs/dbraw/zinc/77/19/65/524771965.db2.gz BORYMTDDPCPHBA-YNEHKIRRSA-N 0 3 295.379 1.696 20 10 CDCDHN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000228094851 525041414 /nfs/dbraw/zinc/04/14/14/525041414.db2.gz KLRHJCUOFNMSKH-NOZJJQNGSA-N 0 3 255.289 1.161 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1C ZINC000280387997 525321663 /nfs/dbraw/zinc/32/16/63/525321663.db2.gz WLPGFEFYWBJDRN-HIFRSBDPSA-N 0 3 279.380 1.744 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000125567940 526037181 /nfs/dbraw/zinc/03/71/81/526037181.db2.gz BWWNHYUNIYSYAO-MGNBDDOMSA-N 0 3 271.382 1.648 20 10 CDCDHN C[C@@H](Cn1cncn1)NCc1ccc2c(c1)CCCN2C ZINC000727644640 574592907 /nfs/dbraw/zinc/59/29/07/574592907.db2.gz NXVRZCVRDDTTOZ-ZDUSSCGKSA-N 0 3 285.395 1.839 20 10 CDCDHN COc1ccc(O)c(CNC(=O)C2CCN(C)CC2)c1 ZINC000769543099 575358689 /nfs/dbraw/zinc/35/86/89/575358689.db2.gz MBXUUVQSRXWYCH-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000765798037 576056628 /nfs/dbraw/zinc/05/66/28/576056628.db2.gz UKVWZQSVAHZLRZ-CHWSQXEVSA-N 0 3 262.353 1.705 20 10 CDCDHN COC(=O)C[C@]1(NCc2cc(C)c(C)cc2O)CCOC1 ZINC000766470309 576105028 /nfs/dbraw/zinc/10/50/28/576105028.db2.gz SYTHLDLZWPMTCW-MRXNPFEDSA-N 0 3 293.363 1.821 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000766470309 576105029 /nfs/dbraw/zinc/10/50/29/576105029.db2.gz SYTHLDLZWPMTCW-MRXNPFEDSA-N 0 3 293.363 1.821 20 10 CDCDHN CN(Cc1cccn1C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462687 576287052 /nfs/dbraw/zinc/28/70/52/576287052.db2.gz BJWITQHSICNRDN-OAHLLOKOSA-N 0 3 288.347 1.789 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000769333973 576347173 /nfs/dbraw/zinc/34/71/73/576347173.db2.gz MAZQDKHPMCQJTF-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CCO)C1 ZINC000769333973 576347175 /nfs/dbraw/zinc/34/71/75/576347175.db2.gz MAZQDKHPMCQJTF-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CCN1CCN(Cc2c(O)cccc2OC)C[C@H]1C ZINC000769379546 576350680 /nfs/dbraw/zinc/35/06/80/576350680.db2.gz BNYBWJBVDMYSTE-GFCCVEGCSA-N 0 3 264.369 1.927 20 10 CDCDHN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000756546936 576994553 /nfs/dbraw/zinc/99/45/53/576994553.db2.gz WARSBLHZHJCXGI-RYUDHWBXSA-N 0 3 282.359 1.903 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000757657727 577049008 /nfs/dbraw/zinc/04/90/08/577049008.db2.gz FSUHJXKGYHPCJV-NHYWBVRUSA-N 0 3 295.379 1.839 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC[C@@H](C)CO ZINC000758579288 577119615 /nfs/dbraw/zinc/11/96/15/577119615.db2.gz KEFXMPXQMPFBTD-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000893668983 617817897 /nfs/dbraw/zinc/81/78/97/617817897.db2.gz JGGHFSJALJQDCU-NEPJUHHUSA-N 0 3 294.395 1.934 20 10 CDCDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1c([O-])cccc1OC ZINC000922590356 618275999 /nfs/dbraw/zinc/27/59/99/618275999.db2.gz RLPNTBFIELTGJB-CYBMUJFWSA-N 0 3 294.395 1.601 20 10 CDCDHN COC(=O)c1c(CN[C@H](C)CO)c2cc(F)ccc2n1C ZINC000894200306 618690998 /nfs/dbraw/zinc/69/09/98/618690998.db2.gz LHRSISVBAUOGTH-SECBINFHSA-N 0 3 294.326 1.574 20 10 CDCDHN CC1=NO[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000895311057 619540176 /nfs/dbraw/zinc/54/01/76/619540176.db2.gz NTPUOMVYIPXFSE-INIZCTEOSA-N 0 3 289.379 1.778 20 10 CDCDHN COc1ccc(CN(C)C[C@H]2COCCO2)c(O)c1OC ZINC000895366118 619607216 /nfs/dbraw/zinc/60/72/16/619607216.db2.gz YJROWVPCQYKYCI-LBPRGKRZSA-N 0 3 297.351 1.257 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000896386324 620081350 /nfs/dbraw/zinc/08/13/50/620081350.db2.gz ZBRXGFDEXJYGBY-ZDUSSCGKSA-N 0 3 293.363 1.986 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000896386324 620081351 /nfs/dbraw/zinc/08/13/51/620081351.db2.gz ZBRXGFDEXJYGBY-ZDUSSCGKSA-N 0 3 293.363 1.986 20 10 CDCDHN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000126229427 695770862 /nfs/dbraw/zinc/77/08/62/695770862.db2.gz DOQNZCHTDCIQRJ-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000126229427 695770866 /nfs/dbraw/zinc/77/08/66/695770866.db2.gz DOQNZCHTDCIQRJ-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1[O-] ZINC000858602401 695303402 /nfs/dbraw/zinc/30/34/02/695303402.db2.gz YJQSJHWTQCSTOA-GXTWGEPZSA-N 0 3 264.369 1.500 20 10 CDCDHN COc1ccc(CN[C@@H]2COC[C@H]2OC)cc1C ZINC000842752491 695357715 /nfs/dbraw/zinc/35/77/15/695357715.db2.gz NEFKPJFHJHWPSA-TZMCWYRMSA-N 0 3 251.326 1.507 20 10 CDCDHN O=C1[C@@H](NCc2ccc3c(c2)CCO3)C[C@H]2CCCCN12 ZINC000835072299 695389684 /nfs/dbraw/zinc/38/96/84/695389684.db2.gz FLBZHHUHDFBIOY-CABCVRRESA-N 0 3 286.375 1.865 20 10 CDCDHN O=C1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1CC1CC1 ZINC000883396810 695410076 /nfs/dbraw/zinc/41/00/76/695410076.db2.gz XJKWLFVADCGRQW-KBPBESRZSA-N 0 3 286.375 1.980 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320076 695429195 /nfs/dbraw/zinc/42/91/95/695429195.db2.gz JDOGFVMHDJHUKM-PHIMTYICSA-N 0 3 252.745 1.697 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000877130241 695597302 /nfs/dbraw/zinc/59/73/02/695597302.db2.gz KNVXBABUQDYTKV-SWLSCSKDSA-N 0 3 292.379 1.426 20 10 CDCDHN C[NH+](C)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000782871453 695634454 /nfs/dbraw/zinc/63/44/54/695634454.db2.gz SOYCREFMAWISNP-SECBINFHSA-N 0 3 254.355 1.477 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843364498 695821213 /nfs/dbraw/zinc/82/12/13/695821213.db2.gz KNZFKTGZVKDVHZ-ONGXEEELSA-N 0 3 280.343 1.903 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCO[C@@H]1CCOC1)CC2 ZINC000927082685 695860375 /nfs/dbraw/zinc/86/03/75/695860375.db2.gz HIVRVQIRHPKLMH-OLZOCXBDSA-N 0 3 263.337 1.775 20 10 CDCDHN COCCNC(=O)C1(N[C@@H](C)c2ccc(C)cc2O)CC1 ZINC000840822690 695860573 /nfs/dbraw/zinc/86/05/73/695860573.db2.gz OESVCSFYJABBCL-LBPRGKRZSA-N 0 3 292.379 1.646 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000825067718 695874260 /nfs/dbraw/zinc/87/42/60/695874260.db2.gz DXFYJXMIGCCHLS-VIFPVBQESA-N 0 3 252.314 1.015 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000877087217 695892657 /nfs/dbraw/zinc/89/26/57/695892657.db2.gz IJYDHNMHBIKQCH-CYBMUJFWSA-N 0 3 265.353 1.986 20 10 CDCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563332 696106693 /nfs/dbraw/zinc/10/66/93/696106693.db2.gz JNUSBHMXKXWREA-IUODEOHRSA-N 0 3 265.353 1.842 20 10 CDCDHN COC1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000831088489 696178692 /nfs/dbraw/zinc/17/86/92/696178692.db2.gz AOBYPEVWDBJHHG-UHFFFAOYSA-N 0 3 291.395 1.038 20 10 CDCDHN CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000228414061 1165586305 /nfs/dbraw/zinc/58/63/05/1165586305.db2.gz VHJHSCLMAJMLPT-LBPRGKRZSA-N 0 3 253.342 1.658 20 10 CDCDHN CCCCN(CC(N)=O)Cc1ccc(C)cc1O ZINC000876616639 1165881028 /nfs/dbraw/zinc/88/10/28/1165881028.db2.gz QQDKZGVUNICTEB-UHFFFAOYSA-N 0 3 250.342 1.788 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCC(O)CC1 ZINC000877573506 1166060265 /nfs/dbraw/zinc/06/02/65/1166060265.db2.gz ZDDCVWHLRJYMDG-UHFFFAOYSA-N 0 3 264.369 1.247 20 10 CDCDHN C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001574104630 1170880920 /nfs/dbraw/zinc/88/09/20/1170880920.db2.gz QZNHKTAXKPFCKY-LBPRGKRZSA-N 0 3 261.369 1.592 20 10 CDCDHN C[C@@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C[NH2+]1 ZINC001576667190 1171485032 /nfs/dbraw/zinc/48/50/32/1171485032.db2.gz SGWFAJCIIRVONS-ZJUUUORDSA-N 0 3 281.331 1.471 20 10 CDCDHN C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000093522925 1174441832 /nfs/dbraw/zinc/44/18/32/1174441832.db2.gz CGEGSPMUMZHABP-SNVBAGLBSA-N 0 3 271.382 1.866 20 10 CDCDHN C[C@H]([NH3+])[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132625900 723705299 /nfs/dbraw/zinc/70/52/99/723705299.db2.gz GMZRGJMKAGHYHO-TVQRCGJNSA-N 0 3 270.760 1.594 20 10 CDCDHN [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000841101521 723730914 /nfs/dbraw/zinc/73/09/14/723730914.db2.gz WTOQCBQDJHJXRW-NSHDSACASA-N 0 3 254.305 1.081 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000840942483 723740961 /nfs/dbraw/zinc/74/09/61/723740961.db2.gz UMAHFRWLGMITAH-NHYWBVRUSA-N 0 3 275.396 1.675 20 10 CDCDHN Cc1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC000877627104 723755262 /nfs/dbraw/zinc/75/52/62/723755262.db2.gz JKAZBVJGZUMEQO-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000876735530 723758729 /nfs/dbraw/zinc/75/87/29/723758729.db2.gz DPFCLCLIXOUDRJ-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@H](C)CCO)c([O-])c1 ZINC000846110900 723833628 /nfs/dbraw/zinc/83/36/28/723833628.db2.gz LFYCXMGNRHOXFA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)CCO)c([O-])c1 ZINC000846110900 723833631 /nfs/dbraw/zinc/83/36/31/723833631.db2.gz LFYCXMGNRHOXFA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN COCC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000816625676 723987161 /nfs/dbraw/zinc/98/71/61/723987161.db2.gz KURTVKXIFLLESJ-UHFFFAOYSA-N 0 3 269.316 1.817 20 10 CDCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311954025 724570083 /nfs/dbraw/zinc/57/00/83/724570083.db2.gz YGLJHKFYIOADAE-JVLSTEMRSA-N 0 3 263.337 1.509 20 10 CDCDHN C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000187150134 724591271 /nfs/dbraw/zinc/59/12/71/724591271.db2.gz FUYBCYUJOGXPLJ-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN Cc1cccc(CN2CCN3C(=O)CC[C@H]3C2)c1O ZINC000124578955 724747521 /nfs/dbraw/zinc/74/75/21/724747521.db2.gz RQWLCAOKCUBXAQ-ZDUSSCGKSA-N 0 3 260.337 1.507 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052044 724800276 /nfs/dbraw/zinc/80/02/76/724800276.db2.gz PAGJPOKFCZGIDL-GXSJLCMTSA-N 0 3 295.339 1.478 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([O-])cs1 ZINC000822156402 725069474 /nfs/dbraw/zinc/06/94/74/725069474.db2.gz QIZLPUUDGSRJSN-GHMZBOCLSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([O-])cs1 ZINC000822156402 725069476 /nfs/dbraw/zinc/06/94/76/725069476.db2.gz QIZLPUUDGSRJSN-GHMZBOCLSA-N 0 3 266.366 1.810 20 10 CDCDHN CCN1C[C@@H](NCc2c(O)cccc2OC)CC1=O ZINC000824887029 724007093 /nfs/dbraw/zinc/00/70/93/724007093.db2.gz ORPHOVQFSFOYNV-JTQLQIEISA-N 0 3 264.325 1.111 20 10 CDCDHN CCN1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000824887029 724007094 /nfs/dbraw/zinc/00/70/94/724007094.db2.gz ORPHOVQFSFOYNV-JTQLQIEISA-N 0 3 264.325 1.111 20 10 CDCDHN COCCNC(=O)C1(N[C@H](C)c2ccc(C)cc2O)CC1 ZINC000840822689 724332188 /nfs/dbraw/zinc/33/21/88/724332188.db2.gz OESVCSFYJABBCL-GFCCVEGCSA-N 0 3 292.379 1.646 20 10 CDCDHN Cc1ccc(C[N@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000877460089 725045778 /nfs/dbraw/zinc/04/57/78/725045778.db2.gz NYMWDOQWQMNOCR-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc(C[N@@H+](CCO)C2CCOCC2)c([O-])c1 ZINC000877460089 725045782 /nfs/dbraw/zinc/04/57/82/725045782.db2.gz NYMWDOQWQMNOCR-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN NC(=O)Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000811509737 725077073 /nfs/dbraw/zinc/07/70/73/725077073.db2.gz BUZXFEGDVSTSMR-UHFFFAOYSA-N 0 3 288.322 1.849 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000792189035 725162093 /nfs/dbraw/zinc/16/20/93/725162093.db2.gz ZYRMPYNURLHIEK-LBPRGKRZSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000792189035 725162096 /nfs/dbraw/zinc/16/20/96/725162096.db2.gz ZYRMPYNURLHIEK-LBPRGKRZSA-N 0 3 290.363 1.598 20 10 CDCDHN COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000382546715 725246531 /nfs/dbraw/zinc/24/65/31/725246531.db2.gz DJRJMOHSTYOYEQ-ZDUSSCGKSA-N 0 3 289.759 1.541 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC2)c1[O-] ZINC000228676508 725302052 /nfs/dbraw/zinc/30/20/52/725302052.db2.gz JOROSVKWLPKOCJ-JTQLQIEISA-N 0 3 257.717 1.933 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)NCC1CC1 ZINC000840938231 725315811 /nfs/dbraw/zinc/31/58/11/725315811.db2.gz ZQQUIRGQSDHSHM-UHFFFAOYSA-N 0 3 275.396 1.677 20 10 CDCDHN CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000858547616 725374874 /nfs/dbraw/zinc/37/48/74/725374874.db2.gz HOZNUQBHTBQOQK-HIFRSBDPSA-N 0 3 278.396 1.808 20 10 CDCDHN CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381947876 725377421 /nfs/dbraw/zinc/37/74/21/725377421.db2.gz ANNGUHRDPUEGJA-JQWIXIFHSA-N 0 3 262.353 1.882 20 10 CDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(C)cc1O ZINC000876789657 725387516 /nfs/dbraw/zinc/38/75/16/725387516.db2.gz FQIYPRRSIAZDSY-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](NC(C)=O)C2)c1 ZINC000228356416 725409219 /nfs/dbraw/zinc/40/92/19/725409219.db2.gz DLEVDSUFSXKDBL-GFCCVEGCSA-N 0 3 264.325 1.111 20 10 CDCDHN CC[N@H+](CCN)Cc1cccc(Br)c1[O-] ZINC000863645583 725437255 /nfs/dbraw/zinc/43/72/55/725437255.db2.gz ZEDIVOWZDKMSLX-UHFFFAOYSA-N 0 3 273.174 1.935 20 10 CDCDHN CC[N@@H+](CCN)Cc1cccc(Br)c1[O-] ZINC000863645583 725437257 /nfs/dbraw/zinc/43/72/57/725437257.db2.gz ZEDIVOWZDKMSLX-UHFFFAOYSA-N 0 3 273.174 1.935 20 10 CDCDHN CCCN(CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840950966 725687126 /nfs/dbraw/zinc/68/71/26/725687126.db2.gz VLHMRLJHAAAYOW-UHFFFAOYSA-N 0 3 263.385 1.758 20 10 CDCDHN COCCNC(=O)C1(NCc2cc(C)ccc2O)CC1 ZINC000839191781 725699094 /nfs/dbraw/zinc/69/90/94/725699094.db2.gz FIVHQDRVMSLEJY-UHFFFAOYSA-N 0 3 278.352 1.085 20 10 CDCDHN CN(C)C1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000157831862 725918330 /nfs/dbraw/zinc/91/83/30/725918330.db2.gz VWUWILJIAUHVAS-UHFFFAOYSA-N 0 3 278.352 1.241 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NCCF ZINC000840943038 725986077 /nfs/dbraw/zinc/98/60/77/725986077.db2.gz PWSBSBPHTGWQKK-GFCCVEGCSA-N 0 3 281.375 1.625 20 10 CDCDHN CC[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1[O-] ZINC000808744432 725996439 /nfs/dbraw/zinc/99/64/39/725996439.db2.gz ZVKKISOVIDIHCG-LBPRGKRZSA-N 0 3 263.341 1.458 20 10 CDCDHN Cc1ccc(C[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000877551436 726005911 /nfs/dbraw/zinc/00/59/11/726005911.db2.gz ZNTVVBRIYPIUEY-UHFFFAOYSA-N 0 3 260.341 1.552 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000877490047 1166046562 /nfs/dbraw/zinc/04/65/62/1166046562.db2.gz SRNNHEBEILTVOI-HIFRSBDPSA-N 0 3 265.353 1.984 20 10 CDCDHN CCN1CCN(c2ccc(CN3CC(=O)C3)cc2)CC1 ZINC001140303902 895726663 /nfs/dbraw/zinc/72/66/63/895726663.db2.gz DBNAGTHMJQFWOM-UHFFFAOYSA-N 0 3 273.380 1.213 20 10 CDCDHN Cc1ccc(C)c(CN2C[C@H](F)C[C@H]2CO)c1O ZINC001140178845 936684299 /nfs/dbraw/zinc/68/42/99/936684299.db2.gz ZQUNMCXXXXFGTC-NEPJUHHUSA-N 0 3 253.317 1.914 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001140742471 936747949 /nfs/dbraw/zinc/74/79/49/936747949.db2.gz PLEICSYOAADDQH-PWSUYJOCSA-N 0 3 255.289 1.311 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC3(COC3)C2)c(OC)c1 ZINC001141026311 936794404 /nfs/dbraw/zinc/79/44/04/936794404.db2.gz LCTPBBJWHSSOBB-UHFFFAOYSA-N 0 3 279.336 1.632 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC3(COC3)C2)c(OC)c1 ZINC001141026311 936794406 /nfs/dbraw/zinc/79/44/06/936794406.db2.gz LCTPBBJWHSSOBB-UHFFFAOYSA-N 0 3 279.336 1.632 20 10 CDCDHN CCN(C(C)=O)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161847 936823149 /nfs/dbraw/zinc/82/31/49/936823149.db2.gz FZVNSYNWBMQAPE-UHFFFAOYSA-N 0 3 292.379 1.931 20 10 CDCDHN CCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001195365358 924566881 /nfs/dbraw/zinc/56/68/81/924566881.db2.gz IUPCJBFXADZMCO-UHFFFAOYSA-N 0 3 293.436 1.841 20 10 CDCDHN CN1CCN(c2ccc(CN3CC[C@H](O)C3)cc2F)CC1 ZINC001116441039 937448839 /nfs/dbraw/zinc/44/88/39/937448839.db2.gz FNQYNIGAXMRVRZ-AWEZNQCLSA-N 0 3 293.386 1.144 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504375 931864788 /nfs/dbraw/zinc/86/47/88/931864788.db2.gz RHLFCZIEIBPQAH-MEBBXXQBSA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504375 931864792 /nfs/dbraw/zinc/86/47/92/931864792.db2.gz RHLFCZIEIBPQAH-MEBBXXQBSA-N 0 3 281.352 1.786 20 10 CDCDHN CC(=O)[C@@H]1CCCCN1Cc1c(O)cc(O)cc1O ZINC001144515599 931880184 /nfs/dbraw/zinc/88/01/84/931880184.db2.gz RTDLTZOFZGCLTA-LBPRGKRZSA-N 0 3 265.309 1.747 20 10 CDCDHN COCCC[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138128715 932460238 /nfs/dbraw/zinc/46/02/38/932460238.db2.gz WIVDGZUEXBAPMI-UHFFFAOYSA-N 0 3 282.359 1.685 20 10 CDCDHN O=C1NC[C@@]2(CCCN(Cc3ccc(O)cc3O)C2)O1 ZINC001204279425 939752424 /nfs/dbraw/zinc/75/24/24/939752424.db2.gz YSDGRIZMLVGYHA-CQSZACIVSA-N 0 3 278.308 1.172 20 10 CDCDHN COc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC000305740883 940893971 /nfs/dbraw/zinc/89/39/71/940893971.db2.gz ZFECFYONGXNCLX-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN C[NH2+]CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212845 941424267 /nfs/dbraw/zinc/42/42/67/941424267.db2.gz YQAYYPPMJGCNEG-UHFFFAOYSA-N 0 3 293.754 1.820 20 10 CDCDHN CC(C)N1CCC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226468137 942010447 /nfs/dbraw/zinc/01/04/47/942010447.db2.gz MSOSHQYWFWAWOA-QMMMGPOBSA-N 0 3 299.323 1.466 20 10 CDCDHN COc1cc(CN2CCN(CC3CC3)CC2)c(O)cc1O ZINC001231634858 942950837 /nfs/dbraw/zinc/95/08/37/942950837.db2.gz ALGVQAYFMNOJCU-UHFFFAOYSA-N 0 3 292.379 1.634 20 10 CDCDHN Cc1cc(C)c(CN2CCCN(C)C(=O)C2)c(O)c1 ZINC001231847025 943026982 /nfs/dbraw/zinc/02/69/82/943026982.db2.gz UNZOHCZQSFCXLI-UHFFFAOYSA-N 0 3 262.353 1.673 20 10 CDCDHN CC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486789 943595162 /nfs/dbraw/zinc/59/51/62/943595162.db2.gz BVAYUEDYULLLGN-VIFPVBQESA-N 0 3 251.282 1.214 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235989982 944353842 /nfs/dbraw/zinc/35/38/42/944353842.db2.gz LCIWKQRQZWNCBX-IINYFYTJSA-N 0 3 282.771 1.977 20 10 CDCDHN COc1cc(C)c(CN2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001236812342 944579018 /nfs/dbraw/zinc/57/90/18/944579018.db2.gz CNVXYRIMAFDNPE-UHFFFAOYSA-N 0 3 278.352 1.229 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCC(=O)N(C)C ZINC001237487810 944813032 /nfs/dbraw/zinc/81/30/32/944813032.db2.gz NIQIDAHJEQCNET-UHFFFAOYSA-N 0 3 250.342 1.611 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+](C)CCC(=O)N(C)C ZINC001237487810 944813040 /nfs/dbraw/zinc/81/30/40/944813040.db2.gz NIQIDAHJEQCNET-UHFFFAOYSA-N 0 3 250.342 1.611 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254848550 947626527 /nfs/dbraw/zinc/62/65/27/947626527.db2.gz PTYFAIPVKIYKLZ-ZDUSSCGKSA-N 0 3 262.353 1.672 20 10 CDCDHN COc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000293921504 358489145 /nfs/dbraw/zinc/48/91/45/358489145.db2.gz MQOHUJAJEHBZQW-ONGXEEELSA-N 0 3 285.365 1.066 20 10 CDCDHN COc1ccc(N2CCN(CCCCO)CC2)cc1 ZINC000035649687 356153642 /nfs/dbraw/zinc/15/36/42/356153642.db2.gz FMNNGYVCFZAABM-UHFFFAOYSA-N 0 3 264.369 1.590 20 10 CDCDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037751964 356528850 /nfs/dbraw/zinc/52/88/50/356528850.db2.gz KOIIODDQLGUWFN-LBPRGKRZSA-N 0 3 263.385 1.882 20 10 CDCDHN Nc1ccc(CC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000037812596 356539382 /nfs/dbraw/zinc/53/93/82/356539382.db2.gz JAPKNDBCHQIDJZ-AWEZNQCLSA-N 0 3 259.353 1.118 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCCO1)OCO2 ZINC000042880561 358983705 /nfs/dbraw/zinc/98/37/05/358983705.db2.gz LYVIUYGEELDFLE-NSHDSACASA-N 0 3 265.309 1.780 20 10 CDCDHN COc1cccc(CN2CCOC[C@@H](C)C2)c1O ZINC000370051020 360686494 /nfs/dbraw/zinc/68/64/94/360686494.db2.gz BDEJJYYALXPOTO-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([O-])c1O ZINC000272709639 365360576 /nfs/dbraw/zinc/36/05/76/365360576.db2.gz DLYZLAPFFUBGBS-GFCCVEGCSA-N 0 3 292.379 1.820 20 10 CDCDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([O-])c1O ZINC000272709639 365360582 /nfs/dbraw/zinc/36/05/82/365360582.db2.gz DLYZLAPFFUBGBS-GFCCVEGCSA-N 0 3 292.379 1.820 20 10 CDCDHN CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[O-] ZINC000230994407 367539706 /nfs/dbraw/zinc/53/97/06/367539706.db2.gz ALJZEBKHFIXTGK-LBPRGKRZSA-N 0 3 286.397 1.324 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1 ZINC000281202913 367604096 /nfs/dbraw/zinc/60/40/96/367604096.db2.gz TTXJRMPESPJDHE-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c1 ZINC000281202913 367604103 /nfs/dbraw/zinc/60/41/03/367604103.db2.gz TTXJRMPESPJDHE-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1C ZINC000281349456 367625490 /nfs/dbraw/zinc/62/54/90/367625490.db2.gz TYWAEEJEWYYFLH-KGLIPLIRSA-N 0 3 290.363 1.939 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1C ZINC000281349456 367625499 /nfs/dbraw/zinc/62/54/99/367625499.db2.gz TYWAEEJEWYYFLH-KGLIPLIRSA-N 0 3 290.363 1.939 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCCF ZINC000282437418 367884520 /nfs/dbraw/zinc/88/45/20/367884520.db2.gz DOZMPDXZSPDZCP-IUCAKERBSA-N 0 3 272.295 1.656 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1C ZINC000284250551 368508518 /nfs/dbraw/zinc/50/85/18/368508518.db2.gz FPLDKKFJOUEBHX-GJZGRUSLSA-N 0 3 292.423 1.896 20 10 CDCDHN COc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000284289255 368509320 /nfs/dbraw/zinc/50/93/20/368509320.db2.gz IAAFJMHTLGAMLJ-STQMWFEESA-N 0 3 294.395 1.288 20 10 CDCDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286883013 369011540 /nfs/dbraw/zinc/01/15/40/369011540.db2.gz FJNMPCKARZLRBC-STUBTGCMSA-N 0 3 264.325 1.177 20 10 CDCDHN Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])n[nH]1 ZINC000273446639 371165623 /nfs/dbraw/zinc/16/56/23/371165623.db2.gz NXAACHFUOQDSJJ-MRVPVSSYSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1nnc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273446639 371165628 /nfs/dbraw/zinc/16/56/28/371165628.db2.gz NXAACHFUOQDSJJ-MRVPVSSYSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([O-])c1O ZINC000296835379 371929811 /nfs/dbraw/zinc/92/98/11/371929811.db2.gz DDXKILFYHITNEF-YOGCLGLASA-N 0 3 290.363 1.761 20 10 CDCDHN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([O-])c1O ZINC000296835379 371929821 /nfs/dbraw/zinc/92/98/21/371929821.db2.gz DDXKILFYHITNEF-YOGCLGLASA-N 0 3 290.363 1.761 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000120950208 374618649 /nfs/dbraw/zinc/61/86/49/374618649.db2.gz YACPHBAIQHBLPW-QGZVFWFLSA-N 0 3 289.423 1.659 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@H]2CCCCNC2=O)c1 ZINC000123965304 374743845 /nfs/dbraw/zinc/74/38/45/374743845.db2.gz BXQILSBSCLRYQV-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN COc1ccc(N2CCCN(C(=O)C3(N)CC3)CC2)cc1 ZINC000237263192 376003879 /nfs/dbraw/zinc/00/38/79/376003879.db2.gz GOFWYOOKWYSXRK-UHFFFAOYSA-N 0 3 289.379 1.225 20 10 CDCDHN CC(C)(N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132914578 390899870 /nfs/dbraw/zinc/89/98/70/390899870.db2.gz ADYLHFVSZMAHLC-UHFFFAOYSA-N 0 3 295.358 1.016 20 10 CDCDHN COCCC[N@H+](CCOC)Cc1cc(OC)ccc1[O-] ZINC000133093987 390901374 /nfs/dbraw/zinc/90/13/74/390901374.db2.gz YRWIQJWLXRTIBH-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN COCCC[N@@H+](CCOC)Cc1cc(OC)ccc1[O-] ZINC000133093987 390901377 /nfs/dbraw/zinc/90/13/77/390901377.db2.gz YRWIQJWLXRTIBH-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccccc1[O-] ZINC000281917014 391426763 /nfs/dbraw/zinc/42/67/63/391426763.db2.gz AHFYRFLAICGNTD-JQWIXIFHSA-N 0 3 268.332 1.907 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000372692738 391862174 /nfs/dbraw/zinc/86/21/74/391862174.db2.gz USAVCULDHFXGJA-OAHLLOKOSA-N 0 3 292.335 1.475 20 10 CDCDHN O=S1(=O)CC[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000038052028 174063603 /nfs/dbraw/zinc/06/36/03/174063603.db2.gz ZPKWKQVOKTUZAY-GFCCVEGCSA-N 0 3 281.377 1.146 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000155025012 261097229 /nfs/dbraw/zinc/09/72/29/261097229.db2.gz FWKVNFGKZGITTR-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000155025012 261097230 /nfs/dbraw/zinc/09/72/30/261097230.db2.gz FWKVNFGKZGITTR-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000186178693 262083594 /nfs/dbraw/zinc/08/35/94/262083594.db2.gz WKWJYJPCVAVJCC-TVQRCGJNSA-N 0 3 255.289 1.333 20 10 CDCDHN CC(C)NC(=O)CCNCc1ccc2c(c1)CCO2 ZINC000054174154 262259464 /nfs/dbraw/zinc/25/94/64/262259464.db2.gz NADUQOQQHPFPDU-UHFFFAOYSA-N 0 3 262.353 1.626 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186223703 262312103 /nfs/dbraw/zinc/31/21/03/262312103.db2.gz YBNBQFVSWBKSKZ-SNVBAGLBSA-N 0 3 280.368 1.824 20 10 CDCDHN COCC1(O)CCN(Cc2cccc(OC)c2O)CC1 ZINC000271192162 262994396 /nfs/dbraw/zinc/99/43/96/262994396.db2.gz PVGJJUAZFNLMRP-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000276815595 263038133 /nfs/dbraw/zinc/03/81/33/263038133.db2.gz OPWMEWRFLZIYOK-CYBMUJFWSA-N 0 3 278.327 1.728 20 10 CDCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000276815595 263038134 /nfs/dbraw/zinc/03/81/34/263038134.db2.gz OPWMEWRFLZIYOK-CYBMUJFWSA-N 0 3 278.327 1.728 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000377192947 268054492 /nfs/dbraw/zinc/05/44/92/268054492.db2.gz MUNFHCPWVBFJBS-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000377192947 268054490 /nfs/dbraw/zinc/05/44/90/268054490.db2.gz MUNFHCPWVBFJBS-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297806978 278261220 /nfs/dbraw/zinc/26/12/20/278261220.db2.gz QQBMDQKQEBRXLS-DZGCQCFKSA-N 0 3 289.423 1.605 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669250 281352488 /nfs/dbraw/zinc/35/24/88/281352488.db2.gz SWYPVTIKUCIEJT-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669250 281352490 /nfs/dbraw/zinc/35/24/90/281352490.db2.gz SWYPVTIKUCIEJT-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COc1ccc(O)c(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669250 281352493 /nfs/dbraw/zinc/35/24/93/281352493.db2.gz SWYPVTIKUCIEJT-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000183342804 327760110 /nfs/dbraw/zinc/76/01/10/327760110.db2.gz NTDHQTZFHUAMRP-ZDUSSCGKSA-N 0 3 278.352 1.292 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000185364132 327838689 /nfs/dbraw/zinc/83/86/89/327838689.db2.gz RNCZTBBHTJNPRB-CABCVRRESA-N 0 3 291.439 1.987 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000185869293 327848667 /nfs/dbraw/zinc/84/86/67/327848667.db2.gz IUEAQLVZZMIHIQ-OAHLLOKOSA-N 0 3 291.439 1.816 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000224869572 329244958 /nfs/dbraw/zinc/24/49/58/329244958.db2.gz YNZCEWSERDBXSR-CYBMUJFWSA-N 0 3 253.342 1.897 20 10 CDCDHN CC(C)NC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584379 329261585 /nfs/dbraw/zinc/26/15/85/329261585.db2.gz LREHNBIFVXVLBS-UHFFFAOYSA-N 0 3 254.305 1.536 20 10 CDCDHN Cc1cccc(C[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000124801436 329574278 /nfs/dbraw/zinc/57/42/78/329574278.db2.gz DSPDYNRHDQVAKS-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000228099067 333294827 /nfs/dbraw/zinc/29/48/27/333294827.db2.gz GPBKARBNJDNWCL-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000228099067 333294828 /nfs/dbraw/zinc/29/48/28/333294828.db2.gz GPBKARBNJDNWCL-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1F ZINC000264982293 522212909 /nfs/dbraw/zinc/21/29/09/522212909.db2.gz UWVNMMUZJMFCMU-NSHDSACASA-N 0 3 265.332 1.212 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H](CO)COC)c([O-])c1 ZINC000279816570 520370830 /nfs/dbraw/zinc/37/08/30/520370830.db2.gz PCEYKWXHTHFVPY-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN CCCN(CC(=O)NC(=O)NC)Cc1ccccc1O ZINC000299627023 521543035 /nfs/dbraw/zinc/54/30/35/521543035.db2.gz KNYWCNCJPOQLQL-UHFFFAOYSA-N 0 3 279.340 1.060 20 10 CDCDHN CCNC(=O)C1(C[NH2+]Cc2cccc(OC)c2[O-])CCC1 ZINC000277397131 521733396 /nfs/dbraw/zinc/73/33/96/521733396.db2.gz KFJAZAFZCDCFSX-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN C[NH+](C)C[C@@](C)(O)CNCc1c([O-])cccc1Cl ZINC000131444164 521855513 /nfs/dbraw/zinc/85/55/13/521855513.db2.gz PAHABKWAIUXAIW-ZDUSSCGKSA-N 0 3 272.776 1.448 20 10 CDCDHN CN(C)C[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000131444164 521855517 /nfs/dbraw/zinc/85/55/17/521855517.db2.gz PAHABKWAIUXAIW-ZDUSSCGKSA-N 0 3 272.776 1.448 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCO1 ZINC000278555226 522752425 /nfs/dbraw/zinc/75/24/25/522752425.db2.gz BVRWNMUNRTZABO-GXTWGEPZSA-N 0 3 251.326 1.676 20 10 CDCDHN COCCOCCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000276232598 524011668 /nfs/dbraw/zinc/01/16/68/524011668.db2.gz SAOHWCSLLGBHNE-UHFFFAOYSA-N 0 3 283.368 1.504 20 10 CDCDHN COCCOCCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000276232598 524011676 /nfs/dbraw/zinc/01/16/76/524011676.db2.gz SAOHWCSLLGBHNE-UHFFFAOYSA-N 0 3 283.368 1.504 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC000278585664 524016174 /nfs/dbraw/zinc/01/61/74/524016174.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 0 3 250.317 1.525 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC000278585664 524016178 /nfs/dbraw/zinc/01/61/78/524016178.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 0 3 250.317 1.525 20 10 CDCDHN C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3[O-])C[C@H]2C1 ZINC000278585664 524016180 /nfs/dbraw/zinc/01/61/80/524016180.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 0 3 250.317 1.525 20 10 CDCDHN C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3[O-])C[C@H]2C1 ZINC000278585664 524016182 /nfs/dbraw/zinc/01/61/82/524016182.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 0 3 250.317 1.525 20 10 CDCDHN Cc1cccc(CN2CCC[C@@](F)(CO)C2)c1O ZINC000289962606 524391842 /nfs/dbraw/zinc/39/18/42/524391842.db2.gz YOLQSJUACIZOJA-AWEZNQCLSA-N 0 3 253.317 1.997 20 10 CDCDHN C[C@@H](CN1CCCC1=O)NCc1ccc2c(c1)CCO2 ZINC000037782715 524599660 /nfs/dbraw/zinc/59/96/60/524599660.db2.gz KLCVPDAMZUTYBS-LBPRGKRZSA-N 0 3 274.364 1.722 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803334 525347081 /nfs/dbraw/zinc/34/70/81/525347081.db2.gz SMZBJAYMUGCREN-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803334 525347087 /nfs/dbraw/zinc/34/70/87/525347087.db2.gz SMZBJAYMUGCREN-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccccc1[O-] ZINC000280923877 525377567 /nfs/dbraw/zinc/37/75/67/525377567.db2.gz RHGLFDDILWXPAQ-AVGNSLFASA-N 0 3 265.353 1.688 20 10 CDCDHN COc1cccc(CN(C)[C@H](C)C[S@@](C)=O)c1O ZINC000131142011 525916941 /nfs/dbraw/zinc/91/69/41/525916941.db2.gz LILNWZSEKXJRPI-MGNBDDOMSA-N 0 3 271.382 1.600 20 10 CDCDHN CCCN(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000730106994 574850877 /nfs/dbraw/zinc/85/08/77/574850877.db2.gz XBAFKIPSQXDREB-UHFFFAOYSA-N 0 3 281.375 1.850 20 10 CDCDHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([O-])cs1 ZINC000765253374 576002167 /nfs/dbraw/zinc/00/21/67/576002167.db2.gz RFDOHBQNHZZWTC-NSHDSACASA-N 0 3 298.408 1.420 20 10 CDCDHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc([O-])cs1 ZINC000765253374 576002169 /nfs/dbraw/zinc/00/21/69/576002169.db2.gz RFDOHBQNHZZWTC-NSHDSACASA-N 0 3 298.408 1.420 20 10 CDCDHN COc1cccc(O)c1CNC[C@H]1CCCS1(=O)=O ZINC000765267593 576003182 /nfs/dbraw/zinc/00/31/82/576003182.db2.gz OXEMJAGDJDFNQS-SNVBAGLBSA-N 0 3 285.365 1.068 20 10 CDCDHN COc1cccc(O)c1CNC[C@@H]1CCCS1(=O)=O ZINC000765267592 576003308 /nfs/dbraw/zinc/00/33/08/576003308.db2.gz OXEMJAGDJDFNQS-JTQLQIEISA-N 0 3 285.365 1.068 20 10 CDCDHN COc1cccc(O)c1CN1CCN(C(C)C)CC1 ZINC000768241596 576266721 /nfs/dbraw/zinc/26/67/21/576266721.db2.gz WXIPJJBFHTVCDX-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCOC1 ZINC000768453587 576285656 /nfs/dbraw/zinc/28/56/56/576285656.db2.gz ZCLPKCMGFKVOBJ-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCOC1 ZINC000768453587 576285660 /nfs/dbraw/zinc/28/56/60/576285660.db2.gz ZCLPKCMGFKVOBJ-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCOC1 ZINC000768453586 576285703 /nfs/dbraw/zinc/28/57/03/576285703.db2.gz ZCLPKCMGFKVOBJ-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCOC1 ZINC000768453586 576285705 /nfs/dbraw/zinc/28/57/05/576285705.db2.gz ZCLPKCMGFKVOBJ-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCSC1 ZINC000768466318 576288104 /nfs/dbraw/zinc/28/81/04/576288104.db2.gz YSXVPUUAGYEUKC-GXFFZTMASA-N 0 3 281.377 1.755 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCSC1 ZINC000768466318 576288106 /nfs/dbraw/zinc/28/81/06/576288106.db2.gz YSXVPUUAGYEUKC-GXFFZTMASA-N 0 3 281.377 1.755 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](CCO)CC1CC1 ZINC000769110155 576330797 /nfs/dbraw/zinc/33/07/97/576330797.db2.gz ARNSJKXCSBYFEK-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](CCO)CC1CC1 ZINC000769110155 576330798 /nfs/dbraw/zinc/33/07/98/576330798.db2.gz ARNSJKXCSBYFEK-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN CO[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769445048 576354417 /nfs/dbraw/zinc/35/44/17/576354417.db2.gz CXJCSBDTFJSTBE-CQSZACIVSA-N 0 3 294.370 1.883 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000761222489 576560984 /nfs/dbraw/zinc/56/09/84/576560984.db2.gz JMTCSJRTPRTJQD-KGLIPLIRSA-N 0 3 265.353 1.984 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000762786904 576671634 /nfs/dbraw/zinc/67/16/34/576671634.db2.gz LOTUVXLAHPINMI-YGRLFVJLSA-N 0 3 284.787 1.763 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000756554889 576995449 /nfs/dbraw/zinc/99/54/49/576995449.db2.gz JVKLLICYMFTDSO-ONGXEEELSA-N 0 3 272.776 1.619 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000756769824 577003598 /nfs/dbraw/zinc/00/35/98/577003598.db2.gz NYYBHNQAKHRFCO-OSQNNJELSA-N 0 3 281.327 1.821 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000795583999 618390304 /nfs/dbraw/zinc/39/03/04/618390304.db2.gz VDYNZBZUZVJZQW-NWDGAFQWSA-N 0 3 281.352 1.135 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1([S@](C)=O)CC1 ZINC000877499035 618629019 /nfs/dbraw/zinc/62/90/19/618629019.db2.gz KWKZWEGWTGGHAX-KRWDZBQOSA-N 0 3 253.367 1.701 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c([O-])c1 ZINC000895749391 619821547 /nfs/dbraw/zinc/82/15/47/619821547.db2.gz QSKIHHPCBGPFBR-UONOGXRCSA-N 0 3 265.353 1.720 20 10 CDCDHN CCOc1ccc(O)c(CN2CC(COC)C2)c1 ZINC000895971012 619928531 /nfs/dbraw/zinc/92/85/31/619928531.db2.gz JNAWRHYSVMZECS-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CCOCCOCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000897204274 620416939 /nfs/dbraw/zinc/41/69/39/620416939.db2.gz MSPOCKWTVHNNJH-UHFFFAOYSA-N 0 3 257.305 1.674 20 10 CDCDHN CC[C@H](CO)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929820374 631444911 /nfs/dbraw/zinc/44/49/11/631444911.db2.gz CVLUVJIVEMBPIE-GFCCVEGCSA-N 0 3 282.359 1.727 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000128343683 726349738 /nfs/dbraw/zinc/34/97/38/726349738.db2.gz OQTFDKYTENSPBV-AOOOYVTPSA-N 0 3 252.745 1.697 20 10 CDCDHN CCCN(Cc1ccc(C)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000877503630 726008978 /nfs/dbraw/zinc/00/89/78/726008978.db2.gz RRAPUHNURDWMKT-CYBMUJFWSA-N 0 3 290.363 1.670 20 10 CDCDHN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000312049300 726010954 /nfs/dbraw/zinc/01/09/54/726010954.db2.gz WMBICONETCZDRN-KOLCDFICSA-N 0 3 264.325 1.262 20 10 CDCDHN Cc1ccc(C[NH2+]CCN(C)CC(F)F)c([O-])c1 ZINC000877662496 726013501 /nfs/dbraw/zinc/01/35/01/726013501.db2.gz TXOXVJKEVCAWRN-UHFFFAOYSA-N 0 3 258.312 1.987 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000827700243 726015026 /nfs/dbraw/zinc/01/50/26/726015026.db2.gz QTMRAKFJFMXELJ-HZMBPMFUSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000827700243 726015027 /nfs/dbraw/zinc/01/50/27/726015027.db2.gz QTMRAKFJFMXELJ-HZMBPMFUSA-N 0 3 253.317 1.982 20 10 CDCDHN CCN1CC[C@@H](N[C@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695614 726022012 /nfs/dbraw/zinc/02/20/12/726022012.db2.gz KPMPLTUHUIIPPW-ZWNOBZJWSA-N 0 3 278.352 1.672 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CO)C1CCCC1 ZINC000929635838 726041074 /nfs/dbraw/zinc/04/10/74/726041074.db2.gz PYEVTTVNHVWLMK-AWEZNQCLSA-N 0 3 265.353 1.490 20 10 CDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CO)C1CCCC1 ZINC000929635838 726041076 /nfs/dbraw/zinc/04/10/76/726041076.db2.gz PYEVTTVNHVWLMK-AWEZNQCLSA-N 0 3 265.353 1.490 20 10 CDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817896704 726055539 /nfs/dbraw/zinc/05/55/39/726055539.db2.gz QBZDZQXVJHIJGW-GJZGRUSLSA-N 0 3 291.395 1.136 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834903585 726118626 /nfs/dbraw/zinc/11/86/26/726118626.db2.gz IZEMHGFDPKCZDD-GAJTVXKRSA-N 0 3 269.316 1.986 20 10 CDCDHN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827634625 726217281 /nfs/dbraw/zinc/21/72/81/726217281.db2.gz WMXJYGDVORLXRP-LBPRGKRZSA-N 0 3 292.354 1.976 20 10 CDCDHN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827634625 726217283 /nfs/dbraw/zinc/21/72/83/726217283.db2.gz WMXJYGDVORLXRP-LBPRGKRZSA-N 0 3 292.354 1.976 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C2CC2)c1 ZINC000840885478 726254755 /nfs/dbraw/zinc/25/47/55/726254755.db2.gz XAEJPBXZXRAVRI-SNVBAGLBSA-N 0 3 299.392 1.629 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c([O-])c1 ZINC000923008752 726279917 /nfs/dbraw/zinc/27/99/17/726279917.db2.gz XONJFNWDZPSSIS-UMSPYCQHSA-N 0 3 251.326 1.651 20 10 CDCDHN O=C1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2N1 ZINC000827141158 726335082 /nfs/dbraw/zinc/33/50/82/726335082.db2.gz PQNNGGNJTLSZJH-AAEUAGOBSA-N 0 3 260.337 1.493 20 10 CDCDHN O=C1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2N1 ZINC000827141158 726335086 /nfs/dbraw/zinc/33/50/86/726335086.db2.gz PQNNGGNJTLSZJH-AAEUAGOBSA-N 0 3 260.337 1.493 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC2CC2)c1 ZINC000884309987 726344739 /nfs/dbraw/zinc/34/47/39/726344739.db2.gz LMSSOIXJSWMNHM-NOZJJQNGSA-N 0 3 278.352 1.705 20 10 CDCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])CC12COC2 ZINC000824490038 726357445 /nfs/dbraw/zinc/35/74/45/726357445.db2.gz SPNCBTOKMOCZJR-ZDUSSCGKSA-N 0 3 291.347 1.404 20 10 CDCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12COC2 ZINC000824490038 726357446 /nfs/dbraw/zinc/35/74/46/726357446.db2.gz SPNCBTOKMOCZJR-ZDUSSCGKSA-N 0 3 291.347 1.404 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC1(CO)CC1 ZINC000825040987 726381198 /nfs/dbraw/zinc/38/11/98/726381198.db2.gz XKYBWNYTURVCTA-UHFFFAOYSA-N 0 3 251.326 1.653 20 10 CDCDHN COCCOCCN(C)Cc1c(O)cccc1OC ZINC000809789924 726808544 /nfs/dbraw/zinc/80/85/44/726808544.db2.gz NSKYLABTCKZZTN-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CN)OC ZINC000227364687 726848121 /nfs/dbraw/zinc/84/81/21/726848121.db2.gz QVYHDIWJIPUKIR-AWEZNQCLSA-N 0 3 279.384 1.075 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCC(=O)NC1CC1 ZINC000876935070 726852915 /nfs/dbraw/zinc/85/29/15/726852915.db2.gz NFYJONTVMXZOJO-UHFFFAOYSA-N 0 3 262.353 1.849 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000843414936 726856710 /nfs/dbraw/zinc/85/67/10/726856710.db2.gz HAAIMPWDSVFNCL-ZDUSSCGKSA-N 0 3 292.379 1.890 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1C)[C@@H]1CCNC1=O ZINC000840942414 726878743 /nfs/dbraw/zinc/87/87/43/726878743.db2.gz KHTJVPRVQOUTLC-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886525002 727034471 /nfs/dbraw/zinc/03/44/71/727034471.db2.gz VOMAWVBXFMFOGA-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000877613335 727107071 /nfs/dbraw/zinc/10/70/71/727107071.db2.gz FMVLDLPMIUBCHY-GFCCVEGCSA-N 0 3 274.364 1.801 20 10 CDCDHN COc1cc(CN(CCO)CCO)c(O)c(C(C)(C)C)c1 ZINC000862429110 727327911 /nfs/dbraw/zinc/32/79/11/727327911.db2.gz ASUDFQGVKMMUKS-UHFFFAOYSA-N 0 3 297.395 1.485 20 10 CDCDHN COc1cc(O)c(CN[C@@H]2CCCN(C)C2=O)cc1OC ZINC000776231564 727402060 /nfs/dbraw/zinc/40/20/60/727402060.db2.gz JSCFFWQBXLRBRY-LLVKDONJSA-N 0 3 294.351 1.120 20 10 CDCDHN COc1cccc([C@H](C)NCC(=O)NCC2CC2)c1O ZINC000846164013 727405847 /nfs/dbraw/zinc/40/58/47/727405847.db2.gz UNAQGNCDCPAFQS-JTQLQIEISA-N 0 3 278.352 1.578 20 10 CDCDHN CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccccc1[O-] ZINC000775415657 727423969 /nfs/dbraw/zinc/42/39/69/727423969.db2.gz UHZCLICPEIQKFT-LBPRGKRZSA-N 0 3 286.397 1.372 20 10 CDCDHN COc1cccc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000392360462 727831639 /nfs/dbraw/zinc/83/16/39/727831639.db2.gz ASOOXSOJDJPLHY-MRVPVSSYSA-N 0 3 262.313 1.678 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCCS(C)(=O)=O ZINC000877599171 728075001 /nfs/dbraw/zinc/07/50/01/728075001.db2.gz YQBSVAZDQIQDTF-UHFFFAOYSA-N 0 3 271.382 1.615 20 10 CDCDHN CCc1cccc(CN2CCN(C)C[C@H]2CO)c1O ZINC000877643189 728340380 /nfs/dbraw/zinc/34/03/80/728340380.db2.gz BYLXFEZIVYNOHM-AWEZNQCLSA-N 0 3 264.369 1.063 20 10 CDCDHN Cc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000876892700 1165934648 /nfs/dbraw/zinc/93/46/48/1165934648.db2.gz RUTVNRVEVBJUPQ-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1F ZINC001206200636 912568330 /nfs/dbraw/zinc/56/83/30/912568330.db2.gz SIRJQFNNCRJIML-GXSJLCMTSA-N 0 3 274.286 1.932 20 10 CDCDHN COc1cc(O)c(CN(C)CCn2cccn2)cc1OC ZINC000160176831 893923699 /nfs/dbraw/zinc/92/36/99/893923699.db2.gz SMRCYTKNLBRRRY-UHFFFAOYSA-N 0 3 291.351 1.738 20 10 CDCDHN Cc1ccc(C)c(CN2CCN([C@H]3CCOC3)CC2)c1O ZINC001140178581 895202246 /nfs/dbraw/zinc/20/22/46/895202246.db2.gz PJPHHLPORLHUOQ-HNNXBMFYSA-N 0 3 290.407 1.916 20 10 CDCDHN COc1cc([O-])c(CN2CC(C)([NH3+])C2)cc1Cl ZINC001204985162 905694740 /nfs/dbraw/zinc/69/47/40/905694740.db2.gz FTOSPFXPOOPWDH-UHFFFAOYSA-N 0 3 256.733 1.587 20 10 CDCDHN Cc1ccc(O)c(CNCc2cnc3n2CCOC3)c1 ZINC000922284654 921468802 /nfs/dbraw/zinc/46/88/02/921468802.db2.gz SGXZPPGPKNVUFH-UHFFFAOYSA-N 0 3 273.336 1.717 20 10 CDCDHN C[C@@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2C)c1ccccc1[O-] ZINC001172127205 911219083 /nfs/dbraw/zinc/21/90/83/911219083.db2.gz PSLYNYUXBQFHTC-RLAWYHOSSA-N 0 3 276.380 1.904 20 10 CDCDHN Cc1cc(CN(C)C[C@@H](O)CO)c(C)n1-c1ccccc1 ZINC001137855548 936422906 /nfs/dbraw/zinc/42/29/06/936422906.db2.gz BASYYCGIBVHMAL-QGZVFWFLSA-N 0 3 288.391 1.879 20 10 CDCDHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000832495804 936583429 /nfs/dbraw/zinc/58/34/29/936583429.db2.gz ICSQPHMLFXBVPB-GHMZBOCLSA-N 0 3 264.325 1.310 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140055983 936674524 /nfs/dbraw/zinc/67/45/24/936674524.db2.gz CNKNQYMRFCYQFL-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140055983 936674525 /nfs/dbraw/zinc/67/45/25/936674525.db2.gz CNKNQYMRFCYQFL-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001140948154 936782444 /nfs/dbraw/zinc/78/24/44/936782444.db2.gz VWJLQJGIDZBZAP-GJZGRUSLSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001140948154 936782446 /nfs/dbraw/zinc/78/24/46/936782446.db2.gz VWJLQJGIDZBZAP-GJZGRUSLSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001140953617 936783722 /nfs/dbraw/zinc/78/37/22/936783722.db2.gz DUPKKJVQLYANJI-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001140953617 936783724 /nfs/dbraw/zinc/78/37/24/936783724.db2.gz DUPKKJVQLYANJI-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031257 936795203 /nfs/dbraw/zinc/79/52/03/936795203.db2.gz AGWVFTMBSNUGDY-ZWNOBZJWSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031257 936795206 /nfs/dbraw/zinc/79/52/06/936795206.db2.gz AGWVFTMBSNUGDY-ZWNOBZJWSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000857062153 928657342 /nfs/dbraw/zinc/65/73/42/928657342.db2.gz YRVRYROPGWHQKS-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000857062153 928657347 /nfs/dbraw/zinc/65/73/47/928657347.db2.gz YRVRYROPGWHQKS-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN CC[C@H](C)[C@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000887055746 931010803 /nfs/dbraw/zinc/01/08/03/931010803.db2.gz JVLQEGCCRUVNII-FZMZJTMJSA-N 0 3 263.385 1.742 20 10 CDCDHN CCOc1cccc(CN2CCN3CC[C@H]3C2)c1O ZINC001203617346 939696717 /nfs/dbraw/zinc/69/67/17/939696717.db2.gz OFPLQNUZOCOBFZ-ZDUSSCGKSA-N 0 3 262.353 1.681 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001203621032 939697411 /nfs/dbraw/zinc/69/74/11/939697411.db2.gz OMOLIXDGDNMBQE-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001203621032 939697412 /nfs/dbraw/zinc/69/74/12/939697412.db2.gz OMOLIXDGDNMBQE-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276378 939749916 /nfs/dbraw/zinc/74/99/16/939749916.db2.gz LESCEYNGKAWRJZ-SNVBAGLBSA-N 0 3 251.282 1.093 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276378 939749918 /nfs/dbraw/zinc/74/99/18/939749918.db2.gz LESCEYNGKAWRJZ-SNVBAGLBSA-N 0 3 251.282 1.093 20 10 CDCDHN CC(C)C(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204274536 939750017 /nfs/dbraw/zinc/75/00/17/939750017.db2.gz DHHCBWZTLGEOOZ-UHFFFAOYSA-N 0 3 292.379 1.834 20 10 CDCDHN N[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1F ZINC001204830209 939796168 /nfs/dbraw/zinc/79/61/68/939796168.db2.gz OXEZKUZCOWILSS-CVEARBPZSA-N 0 3 289.398 1.866 20 10 CDCDHN [NH3+][C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]1F ZINC001204837139 939796700 /nfs/dbraw/zinc/79/67/00/939796700.db2.gz SLAKWHMULDXPMF-ZJUUUORDSA-N 0 3 278.249 1.892 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001277442522 942579273 /nfs/dbraw/zinc/57/92/73/942579273.db2.gz WYKLWBFBUJYZDV-DOMZBBRYSA-N 0 3 260.337 1.445 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001277442522 942579275 /nfs/dbraw/zinc/57/92/75/942579275.db2.gz WYKLWBFBUJYZDV-DOMZBBRYSA-N 0 3 260.337 1.445 20 10 CDCDHN COCCN(CCOC)Cc1cc(OC)c(O)cc1O ZINC001231634127 942950054 /nfs/dbraw/zinc/95/00/54/942950054.db2.gz INOZSGDEXMFTTG-UHFFFAOYSA-N 0 3 285.340 1.201 20 10 CDCDHN Cc1cc(C)c(CN2CC[C@@](F)(CO)C2)c(O)c1 ZINC001231843456 943025836 /nfs/dbraw/zinc/02/58/36/943025836.db2.gz ZLFUPBKTSAFMHO-AWEZNQCLSA-N 0 3 253.317 1.915 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](CO)C1 ZINC001231847722 943028557 /nfs/dbraw/zinc/02/85/57/943028557.db2.gz BWPFDQCIQFHRDV-ZDUSSCGKSA-N 0 3 278.396 1.966 20 10 CDCDHN Oc1cc(O)c(CN2CCC(n3cccn3)CC2)cc1O ZINC001233486242 943594093 /nfs/dbraw/zinc/59/40/93/943594093.db2.gz FCRLTDCKZZWZLZ-UHFFFAOYSA-N 0 3 289.335 1.837 20 10 CDCDHN CN(Cc1cc(O)c(O)cc1O)C[C@H]1CCCCO1 ZINC001233485904 943594193 /nfs/dbraw/zinc/59/41/93/943594193.db2.gz PRLOOYBMINIGGQ-LLVKDONJSA-N 0 3 267.325 1.804 20 10 CDCDHN COC(=O)C[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486964 943595029 /nfs/dbraw/zinc/59/50/29/943595029.db2.gz JXSVRCPUZOBJIR-SECBINFHSA-N 0 3 281.308 1.188 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235676908 944242786 /nfs/dbraw/zinc/24/27/86/944242786.db2.gz WVVAGMNLUMFDLR-DZGCQCFKSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235676908 944242795 /nfs/dbraw/zinc/24/27/95/944242795.db2.gz WVVAGMNLUMFDLR-DZGCQCFKSA-N 0 3 293.407 1.865 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488044 944814198 /nfs/dbraw/zinc/81/41/98/944814198.db2.gz HYJNAPQMRHNSJM-CZUORRHYSA-N 0 3 277.364 1.795 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488044 944814204 /nfs/dbraw/zinc/81/42/04/944814204.db2.gz HYJNAPQMRHNSJM-CZUORRHYSA-N 0 3 277.364 1.795 20 10 CDCDHN CCN(Cc1ccccc1O)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246866490 948490682 /nfs/dbraw/zinc/49/06/82/948490682.db2.gz UOAIJICHYBHOMS-STQMWFEESA-N 0 3 278.352 1.118 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC001249171778 949433554 /nfs/dbraw/zinc/43/35/54/949433554.db2.gz FOFYLPZQRTUOJY-GFCCVEGCSA-N 0 3 293.363 1.576 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC001249171778 949433567 /nfs/dbraw/zinc/43/35/67/949433567.db2.gz FOFYLPZQRTUOJY-GFCCVEGCSA-N 0 3 293.363 1.576 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001249177642 949441402 /nfs/dbraw/zinc/44/14/02/949441402.db2.gz HHYALDQZUYVPGB-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001249177642 949441430 /nfs/dbraw/zinc/44/14/30/949441430.db2.gz HHYALDQZUYVPGB-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN O=C([O-])CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001329825072 956130723 /nfs/dbraw/zinc/13/07/23/956130723.db2.gz FPSCBEBNXCZRJQ-UHFFFAOYSA-N 0 3 290.363 1.260 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CF)C1)[C@H](O)CO2 ZINC001331021323 956767086 /nfs/dbraw/zinc/76/70/86/956767086.db2.gz JOUYLQPDQUXARO-IINYFYTJSA-N 0 3 281.327 2.000 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CF)C1)[C@H](O)CO2 ZINC001331021323 956767095 /nfs/dbraw/zinc/76/70/95/956767095.db2.gz JOUYLQPDQUXARO-IINYFYTJSA-N 0 3 281.327 2.000 20 10 CDCDHN Nc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC001334774468 959348283 /nfs/dbraw/zinc/34/82/83/959348283.db2.gz IVXQWPUEPDUNHC-KBPBESRZSA-N 0 3 259.353 1.512 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1 ZINC000294953648 199268300 /nfs/dbraw/zinc/26/83/00/199268300.db2.gz DHKHFENEQVUXRT-ZDUSSCGKSA-N 0 3 299.440 1.170 20 10 CDCDHN O=C(CCC[NH2+]Cc1cc2c(cc1[O-])OCO2)NC1CC1 ZINC000112017141 365853885 /nfs/dbraw/zinc/85/38/85/365853885.db2.gz JJXWBWJLUOQNAZ-UHFFFAOYSA-N 0 3 292.335 1.269 20 10 CDCDHN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000194635108 362823046 /nfs/dbraw/zinc/82/30/46/362823046.db2.gz DQOVHBVOYNSBKK-CYBMUJFWSA-N 0 3 267.325 1.618 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000036794561 356884315 /nfs/dbraw/zinc/88/43/15/356884315.db2.gz OJTKAZVHZSHXOX-MNOVXSKESA-N 0 3 250.342 1.876 20 10 CDCDHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C ZINC000042880317 357082777 /nfs/dbraw/zinc/08/27/77/357082777.db2.gz NIDKRABQYIHSGU-VIFPVBQESA-N 0 3 252.314 1.161 20 10 CDCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCN(C)C1 ZINC000181122423 357316025 /nfs/dbraw/zinc/31/60/25/357316025.db2.gz JWPWXBSAJBIDKK-STMXVASLSA-N 0 3 290.363 1.664 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1 ZINC000191181276 358118103 /nfs/dbraw/zinc/11/81/03/358118103.db2.gz IHPQFXDYBIKFGK-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@H]2CO)c1 ZINC000191181276 358118105 /nfs/dbraw/zinc/11/81/05/358118105.db2.gz IHPQFXDYBIKFGK-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294917798 199246856 /nfs/dbraw/zinc/24/68/56/199246856.db2.gz SXGFGMZVOVIIBC-AOOOYVTPSA-N 0 3 257.717 1.667 20 10 CDCDHN COCC[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000112018171 359278239 /nfs/dbraw/zinc/27/82/39/359278239.db2.gz WSGIAWXQVOOYFD-VIFPVBQESA-N 0 3 253.298 1.636 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000281567914 363813988 /nfs/dbraw/zinc/81/39/88/363813988.db2.gz KGXRHSIAQCVCIR-QWRGUYRKSA-N 0 3 269.341 1.449 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]Cc1cccc(CO)c1)OCO2 ZINC000222111180 367282442 /nfs/dbraw/zinc/28/24/42/367282442.db2.gz BGZBZBLLWDARGH-UHFFFAOYSA-N 0 3 287.315 1.903 20 10 CDCDHN OCc1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000222111180 367282450 /nfs/dbraw/zinc/28/24/50/367282450.db2.gz BGZBZBLLWDARGH-UHFFFAOYSA-N 0 3 287.315 1.903 20 10 CDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289188866 369530059 /nfs/dbraw/zinc/53/00/59/369530059.db2.gz ASOJEGYAZSTOGB-ZFWWWQNUSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289188866 369530062 /nfs/dbraw/zinc/53/00/62/369530062.db2.gz ASOJEGYAZSTOGB-ZFWWWQNUSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1[O-] ZINC000271700373 371079540 /nfs/dbraw/zinc/07/95/40/371079540.db2.gz TXLABNAOQOSRHI-MRVPVSSYSA-N 0 3 258.268 1.424 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000295817061 371398646 /nfs/dbraw/zinc/39/86/46/371398646.db2.gz BMUJCUNKMLWUCQ-CYBMUJFWSA-N 0 3 278.396 1.808 20 10 CDCDHN COCCOCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295909283 371401377 /nfs/dbraw/zinc/40/13/77/371401377.db2.gz JCXZHMVYJMVIJM-GFCCVEGCSA-N 0 3 251.326 1.632 20 10 CDCDHN CC(C(=O)N(C)Cc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000047797524 390446304 /nfs/dbraw/zinc/44/63/04/390446304.db2.gz XQDFIMRWCFGJFY-LLVKDONJSA-N 0 3 298.408 1.144 20 10 CDCDHN COc1cccc(C[NH2+]CCOCC2CC2)c1[O-] ZINC000224528108 390892397 /nfs/dbraw/zinc/89/23/97/390892397.db2.gz OOHXDKZOYKGKEM-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([O-])c1O ZINC000179514876 391208309 /nfs/dbraw/zinc/20/83/09/391208309.db2.gz VVZDLRSSQIECTI-AAEUAGOBSA-N 0 3 292.379 1.818 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([O-])c1O ZINC000179514876 391208311 /nfs/dbraw/zinc/20/83/11/391208311.db2.gz VVZDLRSSQIECTI-AAEUAGOBSA-N 0 3 292.379 1.818 20 10 CDCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]CCOCCO ZINC000020198980 171062284 /nfs/dbraw/zinc/06/22/84/171062284.db2.gz GLOOUJWMGSDPGS-RYUDHWBXSA-N 0 3 265.353 1.847 20 10 CDCDHN C[C@@H](NCC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000037262886 173072271 /nfs/dbraw/zinc/07/22/71/173072271.db2.gz RTDRJRWXNQDDAQ-LLVKDONJSA-N 0 3 261.369 1.682 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000367988988 267132720 /nfs/dbraw/zinc/13/27/20/267132720.db2.gz OVOUREBTJIPPTJ-GFCCVEGCSA-N 0 3 290.363 1.717 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000367988988 267132721 /nfs/dbraw/zinc/13/27/21/267132721.db2.gz OVOUREBTJIPPTJ-GFCCVEGCSA-N 0 3 290.363 1.717 20 10 CDCDHN Cc1cccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273734620 328206214 /nfs/dbraw/zinc/20/62/14/328206214.db2.gz KVUDUDAQSNXWQA-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273734620 328206215 /nfs/dbraw/zinc/20/62/15/328206215.db2.gz KVUDUDAQSNXWQA-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273734620 328206217 /nfs/dbraw/zinc/20/62/17/328206217.db2.gz KVUDUDAQSNXWQA-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN CCOc1ccc(CNCc2cnnn2CC)c(O)c1 ZINC000527725683 330277429 /nfs/dbraw/zinc/27/74/29/330277429.db2.gz GNEUGDUYZIWPER-UHFFFAOYSA-N 0 3 276.340 1.692 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)CO)c1[O-] ZINC000228672166 522540622 /nfs/dbraw/zinc/54/06/22/522540622.db2.gz DIDQDQFTYWSUAN-QMMMGPOBSA-N 0 3 259.733 1.772 20 10 CDCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000280302036 522750929 /nfs/dbraw/zinc/75/09/29/522750929.db2.gz ZYHBAZSQXBRYFN-AAEUAGOBSA-N 0 3 262.353 1.972 20 10 CDCDHN COCC1(C[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000291710732 522900322 /nfs/dbraw/zinc/90/03/22/522900322.db2.gz LIDZWKJPLUOMLS-UHFFFAOYSA-N 0 3 265.353 1.925 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@@H]3CCCCN3)ccc21 ZINC000237128663 523861449 /nfs/dbraw/zinc/86/14/49/523861449.db2.gz SXWKEYYQZFPCSX-HNNXBMFYSA-N 0 3 287.407 1.827 20 10 CDCDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000290291270 524010529 /nfs/dbraw/zinc/01/05/29/524010529.db2.gz YAGWUWOGRSEZBI-UGFHNGPFSA-N 0 3 264.369 1.817 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCCNC2=O)c1 ZINC000036977195 524767570 /nfs/dbraw/zinc/76/75/70/524767570.db2.gz PEDRWSPSDWCGJH-ZWNOBZJWSA-N 0 3 278.352 1.720 20 10 CDCDHN Cc1cc(Cl)cc(CNCc2cnnn2C)c1O ZINC000290076165 524871572 /nfs/dbraw/zinc/87/15/72/524871572.db2.gz GFCSFMKCPSVPHK-UHFFFAOYSA-N 0 3 266.732 1.772 20 10 CDCDHN C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000282338646 525360003 /nfs/dbraw/zinc/36/00/03/525360003.db2.gz LYEUABYZWBFZTA-LJQANCHMSA-N 0 3 283.349 1.122 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000094617781 525417914 /nfs/dbraw/zinc/41/79/14/525417914.db2.gz LWHQWTDZQCJYOM-VHSXEESVSA-N 0 3 287.356 1.617 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCC[C@@H]1CCO)OCO2 ZINC000189932976 527569829 /nfs/dbraw/zinc/56/98/29/527569829.db2.gz BBTNVYOUJFVZQZ-PWSUYJOCSA-N 0 3 279.336 1.762 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280443723 527606878 /nfs/dbraw/zinc/60/68/78/527606878.db2.gz CUYBVYUFPQLSBZ-PWSUYJOCSA-N 0 3 269.316 1.266 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000768239046 576266149 /nfs/dbraw/zinc/26/61/49/576266149.db2.gz BILPSINYTWDGQL-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000768239046 576266151 /nfs/dbraw/zinc/26/61/51/576266151.db2.gz BILPSINYTWDGQL-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CC(C)(C)C[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000769339378 576347616 /nfs/dbraw/zinc/34/76/16/576347616.db2.gz WKEKUTBIHZVXQI-UHFFFAOYSA-N 0 3 281.352 1.961 20 10 CDCDHN CC(C)(C)C[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000769339378 576347617 /nfs/dbraw/zinc/34/76/17/576347617.db2.gz WKEKUTBIHZVXQI-UHFFFAOYSA-N 0 3 281.352 1.961 20 10 CDCDHN COc1cccc(O)c1CNC[C@@](C)(O)C(F)(F)F ZINC000760452624 576485373 /nfs/dbraw/zinc/48/53/73/576485373.db2.gz ZLIYDLUUKVYVAJ-LLVKDONJSA-N 0 3 279.258 1.804 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000763727294 576752580 /nfs/dbraw/zinc/75/25/80/576752580.db2.gz ILVZISYLODZTTQ-GFCCVEGCSA-N 0 3 261.321 1.920 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000763727294 576752582 /nfs/dbraw/zinc/75/25/82/576752582.db2.gz ILVZISYLODZTTQ-GFCCVEGCSA-N 0 3 261.321 1.920 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1ccco1)OCO2 ZINC000747097488 576858593 /nfs/dbraw/zinc/85/85/93/576858593.db2.gz FEBXDMUNPWTMMH-NSHDSACASA-N 0 3 277.276 1.537 20 10 CDCDHN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(F)ccc1[O-] ZINC000756641709 576998339 /nfs/dbraw/zinc/99/83/39/576998339.db2.gz YGWKQGXTJMFTKQ-VIFPVBQESA-N 0 3 289.310 1.876 20 10 CDCDHN COc1ccc(CNCc2cnn(C)c2C)c(O)c1OC ZINC000893268133 617505376 /nfs/dbraw/zinc/50/53/76/617505376.db2.gz AMBKYTKWGPFZPC-UHFFFAOYSA-N 0 3 291.351 1.741 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1ccc(OC)c(OC)c1O ZINC000894813893 619071431 /nfs/dbraw/zinc/07/14/31/619071431.db2.gz VLVNKQFSKYMCTE-UHFFFAOYSA-N 0 3 296.367 1.414 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCCON)c1[O-] ZINC000904457118 626301181 /nfs/dbraw/zinc/30/11/81/626301181.db2.gz OPSDZPWWGKERPY-UHFFFAOYSA-N 0 3 260.721 1.424 20 10 CDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)C1CCC1 ZINC000907275019 627579052 /nfs/dbraw/zinc/57/90/52/627579052.db2.gz VCBBXKLWWDBTSE-LLVKDONJSA-N 0 3 292.379 1.629 20 10 CDCDHN [O-]c1cccc(Br)c1CN1CCC[NH2+]CC1 ZINC000706852097 1158765260 /nfs/dbraw/zinc/76/52/60/1158765260.db2.gz OOGRHPRELXFHSU-UHFFFAOYSA-N 0 3 285.185 1.950 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817959279 728757992 /nfs/dbraw/zinc/75/79/92/728757992.db2.gz FADFYZMGXJDHNC-ZANVPECISA-N 0 3 278.352 1.567 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC(O)(CO)CC2)c1 ZINC000827146330 728865943 /nfs/dbraw/zinc/86/59/43/728865943.db2.gz DWSGPNZDTYTSMZ-UHFFFAOYSA-N 0 3 281.352 1.110 20 10 CDCDHN C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[O-] ZINC000876996135 728867182 /nfs/dbraw/zinc/86/71/82/728867182.db2.gz PSABIGXHDPULCW-DGCLKSJQSA-N 0 3 262.353 1.929 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)CCOCC1 ZINC000180658371 728898242 /nfs/dbraw/zinc/89/82/42/728898242.db2.gz NCUDHDCPVISIJG-UHFFFAOYSA-N 0 3 255.289 1.162 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702636415 728923862 /nfs/dbraw/zinc/92/38/62/728923862.db2.gz MLGNNQPIQRSVOU-HIFRSBDPSA-N 0 3 264.369 1.500 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCCC1 ZINC000126497711 728424180 /nfs/dbraw/zinc/42/41/80/728424180.db2.gz GHNIEOMYGMGDTD-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647685 728527524 /nfs/dbraw/zinc/52/75/24/728527524.db2.gz IGUONRSQIJULPQ-SNVBAGLBSA-N 0 3 279.340 1.279 20 10 CDCDHN CN1CCN(c2ccc(CN3CC(C)(O)C3)cc2)CC1 ZINC000877581302 728529601 /nfs/dbraw/zinc/52/96/01/728529601.db2.gz VXHYEJHUVORSGM-UHFFFAOYSA-N 0 3 275.396 1.005 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000857062155 728590732 /nfs/dbraw/zinc/59/07/32/728590732.db2.gz YRVRYROPGWHQKS-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000857062155 728590733 /nfs/dbraw/zinc/59/07/33/728590733.db2.gz YRVRYROPGWHQKS-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(C)cc1O ZINC000876789656 729032923 /nfs/dbraw/zinc/03/29/23/729032923.db2.gz FQIYPRRSIAZDSY-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1c([O-])cccc1F ZINC000886590146 729221951 /nfs/dbraw/zinc/22/19/51/729221951.db2.gz ORHSYBPKBMYDCJ-IINYFYTJSA-N 0 3 268.332 1.249 20 10 CDCDHN CC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858190024 729233407 /nfs/dbraw/zinc/23/34/07/729233407.db2.gz YLCKXKAIALGACN-SNVBAGLBSA-N 0 3 258.312 1.891 20 10 CDCDHN NC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134225131 729277161 /nfs/dbraw/zinc/27/71/61/729277161.db2.gz GBBSARARCQEESV-UHFFFAOYSA-N 0 3 256.305 1.781 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC2)c1[O-] ZINC000228676499 729296780 /nfs/dbraw/zinc/29/67/80/729296780.db2.gz JOROSVKWLPKOCJ-SNVBAGLBSA-N 0 3 257.717 1.933 20 10 CDCDHN COCCNC(=O)C1(N[C@@H]2CCc3cccc(O)c32)CC1 ZINC000840825120 729311773 /nfs/dbraw/zinc/31/17/73/729311773.db2.gz SNHOATGMIIPBGR-GFCCVEGCSA-N 0 3 290.363 1.264 20 10 CDCDHN CCN1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795256 729478507 /nfs/dbraw/zinc/47/85/07/729478507.db2.gz YLTKASHSXLYLAG-LBPRGKRZSA-N 0 3 293.367 1.313 20 10 CDCDHN O=C1C[C@H](C[NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000846075187 729492184 /nfs/dbraw/zinc/49/21/84/729492184.db2.gz LTYGUIVFFYKOBA-LLVKDONJSA-N 0 3 260.337 1.493 20 10 CDCDHN C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000886734996 729602292 /nfs/dbraw/zinc/60/22/92/729602292.db2.gz UWVMKKSNIIBLNH-LLVKDONJSA-N 0 3 298.408 1.467 20 10 CDCDHN Cc1noc(C2CN(Cc3cc(C)ccc3O)C2)n1 ZINC000839131177 729667672 /nfs/dbraw/zinc/66/76/72/729667672.db2.gz OQBMNLGSPFLBAD-UHFFFAOYSA-N 0 3 259.309 1.991 20 10 CDCDHN CCOc1ccc(CN(CC)[C@@H]2CCNC2=O)c(O)c1 ZINC000799737393 729716952 /nfs/dbraw/zinc/71/69/52/729716952.db2.gz CXSPTUWDMFUAIU-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCC(=O)N1 ZINC000835061725 729810781 /nfs/dbraw/zinc/81/07/81/729810781.db2.gz VKWDMXGUOXSUFB-CYBMUJFWSA-N 0 3 252.289 1.290 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C/C=C/CO)c1[O-] ZINC000717524651 729851582 /nfs/dbraw/zinc/85/15/82/729851582.db2.gz HKAHBMNVZMCYQH-NSCUHMNNSA-N 0 3 257.717 1.692 20 10 CDCDHN COC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])[nH]1 ZINC000167060792 729882813 /nfs/dbraw/zinc/88/28/13/729882813.db2.gz NFKHYVVMAJXTAG-UHFFFAOYSA-N 0 3 260.293 1.797 20 10 CDCDHN O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]2N1 ZINC000827132760 729890637 /nfs/dbraw/zinc/89/06/37/729890637.db2.gz OFIFAWZOQHSRKG-ZWNOBZJWSA-N 0 3 278.327 1.632 20 10 CDCDHN O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]2N1 ZINC000827132760 729890639 /nfs/dbraw/zinc/89/06/39/729890639.db2.gz OFIFAWZOQHSRKG-ZWNOBZJWSA-N 0 3 278.327 1.632 20 10 CDCDHN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412029 729913838 /nfs/dbraw/zinc/91/38/38/729913838.db2.gz BMKWQOQTDDGHHP-MNOVXSKESA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412029 729913840 /nfs/dbraw/zinc/91/38/40/729913840.db2.gz BMKWQOQTDDGHHP-MNOVXSKESA-N 0 3 253.317 1.982 20 10 CDCDHN Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)c([O-])c1O ZINC000799026281 729971352 /nfs/dbraw/zinc/97/13/52/729971352.db2.gz GOPSRUAENNUHJI-UHFFFAOYSA-N 0 3 292.379 1.964 20 10 CDCDHN COCCNC(=O)C1(NCc2cc(C)c(C)cc2O)CC1 ZINC000839193079 730033338 /nfs/dbraw/zinc/03/33/38/730033338.db2.gz OKLFTICAYAQGNV-UHFFFAOYSA-N 0 3 292.379 1.394 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(C(N)=O)CCCC2)c([O-])c1 ZINC000877150414 730069285 /nfs/dbraw/zinc/06/92/85/730069285.db2.gz RGHJPGLOAFHYHJ-UHFFFAOYSA-N 0 3 262.353 1.836 20 10 CDCDHN CN(C)c1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237082501 730300113 /nfs/dbraw/zinc/30/01/13/730300113.db2.gz WFBVNJSNUJQRDR-HNNXBMFYSA-N 0 3 291.395 1.137 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000879647576 730419028 /nfs/dbraw/zinc/41/90/28/730419028.db2.gz FCRLGEQUFJBEJR-JHJVBQTASA-N 0 3 292.379 1.679 20 10 CDCDHN CCOc1ccc(O)c(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])c1 ZINC001610042980 1165195020 /nfs/dbraw/zinc/19/50/20/1165195020.db2.gz NCQZIUXFWXXILD-ZDUSSCGKSA-N 0 3 294.351 1.039 20 10 CDCDHN CCOc1ccc(O)c(C[N@H+]2CCCNC[C@H]2C(=O)[O-])c1 ZINC001610042980 1165195024 /nfs/dbraw/zinc/19/50/24/1165195024.db2.gz NCQZIUXFWXXILD-ZDUSSCGKSA-N 0 3 294.351 1.039 20 10 CDCDHN Oc1c(O)c(O)c(OC2CCN(C3CC3)CC2)c(O)c1O ZINC001226465972 905227957 /nfs/dbraw/zinc/22/79/57/905227957.db2.gz YCFRBJLKHBWNBT-UHFFFAOYSA-N 0 3 297.307 1.220 20 10 CDCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000164688283 911374208 /nfs/dbraw/zinc/37/42/08/911374208.db2.gz PFRHIBRQKJXLBL-NSHDSACASA-N 0 3 256.733 1.205 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163296 911541384 /nfs/dbraw/zinc/54/13/84/911541384.db2.gz BKYJJIYBQUHALP-JQWIXIFHSA-N 0 3 256.296 1.793 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163296 911541394 /nfs/dbraw/zinc/54/13/94/911541394.db2.gz BKYJJIYBQUHALP-JQWIXIFHSA-N 0 3 256.296 1.793 20 10 CDCDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001206403742 916005299 /nfs/dbraw/zinc/00/52/99/916005299.db2.gz JBFGNBFPLADKOE-WDEREUQCSA-N 0 3 258.724 1.917 20 10 CDCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278248 916581885 /nfs/dbraw/zinc/58/18/85/916581885.db2.gz ZLOCWBMEGBMLDI-SNVBAGLBSA-N 0 3 265.309 1.483 20 10 CDCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278248 916581895 /nfs/dbraw/zinc/58/18/95/916581895.db2.gz ZLOCWBMEGBMLDI-SNVBAGLBSA-N 0 3 265.309 1.483 20 10 CDCDHN COc1cc(CN2CC(N(C)C)C2)c(O)c(OC)c1 ZINC001237675323 917542721 /nfs/dbraw/zinc/54/27/21/917542721.db2.gz VZRAUCDUCLJFKI-UHFFFAOYSA-N 0 3 266.341 1.155 20 10 CDCDHN CN(C)C1(C)CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143962 936819353 /nfs/dbraw/zinc/81/93/53/936819353.db2.gz QATDJJUGYCTGMP-UHFFFAOYSA-N 0 3 275.396 1.651 20 10 CDCDHN COCCN(CCOC)Cc1ccc2c(c1)OCCN2C ZINC001141138929 936818744 /nfs/dbraw/zinc/81/87/44/936818744.db2.gz DUQHFLJACBEFBG-UHFFFAOYSA-N 0 3 294.395 1.610 20 10 CDCDHN Nc1ccc(CCNC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001118256585 924050278 /nfs/dbraw/zinc/05/02/78/924050278.db2.gz YCRBPGKPNBRINH-HNNXBMFYSA-N 0 3 275.396 1.835 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@H](C)N1C ZINC001203882523 925200268 /nfs/dbraw/zinc/20/02/68/925200268.db2.gz KHUFEEMVALMEOK-PHIMTYICSA-N 0 3 250.342 1.622 20 10 CDCDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1OC ZINC000775979202 925737428 /nfs/dbraw/zinc/73/74/28/925737428.db2.gz RTYKAEIRLFOYFN-FVQBIDKESA-N 0 3 277.364 1.904 20 10 CDCDHN Oc1ccc(CNc2ccc3c(n2)OCCNC3)cc1O ZINC001169990778 928863133 /nfs/dbraw/zinc/86/31/33/928863133.db2.gz OEITYFOYVNIRHG-UHFFFAOYSA-N 0 3 287.319 1.587 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@H](NC(C)=O)C1 ZINC000817412386 930529351 /nfs/dbraw/zinc/52/93/51/930529351.db2.gz JVRXBLKQAUBCKW-NSHDSACASA-N 0 3 264.325 1.111 20 10 CDCDHN COc1cccc(CN2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000234882242 932626112 /nfs/dbraw/zinc/62/61/12/932626112.db2.gz BIGXCHNQVJZSMT-BETUJISGSA-N 0 3 267.325 1.246 20 10 CDCDHN NCc1cc(N2CCCc3cc(O)c(O)cc3C2)ncn1 ZINC001155940965 937690977 /nfs/dbraw/zinc/69/09/77/937690977.db2.gz DKLCUJVLDQSCAA-UHFFFAOYSA-N 0 3 286.335 1.299 20 10 CDCDHN CN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1 ZINC001156597538 938391764 /nfs/dbraw/zinc/39/17/64/938391764.db2.gz JVBRBDKRVDLDMH-ZDUSSCGKSA-N 0 3 278.352 1.097 20 10 CDCDHN O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)N1 ZINC001204274828 939750088 /nfs/dbraw/zinc/75/00/88/939750088.db2.gz UIVLDLKCIUMJGG-INIZCTEOSA-N 0 3 290.363 1.733 20 10 CDCDHN O=C1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)N1 ZINC001204274828 939750089 /nfs/dbraw/zinc/75/00/89/939750089.db2.gz UIVLDLKCIUMJGG-INIZCTEOSA-N 0 3 290.363 1.733 20 10 CDCDHN Cc1cccc(O)c1CN1CCC(F)(F)[C@@H](N)C1 ZINC001206704447 940080789 /nfs/dbraw/zinc/08/07/89/940080789.db2.gz SXHZRNSWXJOCMX-LBPRGKRZSA-N 0 3 256.296 1.869 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492519 941602223 /nfs/dbraw/zinc/60/22/23/941602223.db2.gz ZFLIQWFLNCJSNB-KBPBESRZSA-N 0 3 295.814 1.571 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c([O-])c1 ZINC001277453563 942607474 /nfs/dbraw/zinc/60/74/74/942607474.db2.gz AWXMWGLHCARARZ-ZDUSSCGKSA-N 0 3 290.363 1.488 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](CO)C1 ZINC001231847721 943028651 /nfs/dbraw/zinc/02/86/51/943028651.db2.gz BWPFDQCIQFHRDV-CYBMUJFWSA-N 0 3 278.396 1.966 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC(C2COC2)C1 ZINC001231848031 943028802 /nfs/dbraw/zinc/02/88/02/943028802.db2.gz DXKGANDNDVDYLB-UHFFFAOYSA-N 0 3 276.380 1.839 20 10 CDCDHN Oc1cc(CN2CCN(CC3CC3)CC2)cc(O)c1O ZINC001233014080 943463635 /nfs/dbraw/zinc/46/36/35/943463635.db2.gz YIFVETWWHNHVEV-UHFFFAOYSA-N 0 3 278.352 1.331 20 10 CDCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(C(N)=O)C3)c2c1 ZINC001234562401 943893547 /nfs/dbraw/zinc/89/35/47/943893547.db2.gz MXVFLCNNEDJICX-UHFFFAOYSA-N 0 3 286.331 1.471 20 10 CDCDHN CCc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001236786885 944568088 /nfs/dbraw/zinc/56/80/88/944568088.db2.gz FFILMKSFTMSFOJ-UHFFFAOYSA-N 0 3 292.423 1.843 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236806936 944573005 /nfs/dbraw/zinc/57/30/05/944573005.db2.gz CWGUNEBZRYXCFI-HOTGVXAUSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236806936 944573008 /nfs/dbraw/zinc/57/30/08/944573008.db2.gz CWGUNEBZRYXCFI-HOTGVXAUSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(CN2CCN(C)CC2)c(O)c1 ZINC001236816996 944578182 /nfs/dbraw/zinc/57/81/82/944578182.db2.gz AUWHAFHWUUELAG-UHFFFAOYSA-N 0 3 250.342 1.457 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001236827998 944584226 /nfs/dbraw/zinc/58/42/26/944584226.db2.gz YWJJHNRUSCZRLH-GDBMZVCRSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001236827998 944584230 /nfs/dbraw/zinc/58/42/30/944584230.db2.gz YWJJHNRUSCZRLH-GDBMZVCRSA-N 0 3 273.332 1.330 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001237049119 944646727 /nfs/dbraw/zinc/64/67/27/944646727.db2.gz DSPQIRQJAFRMMI-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001237049119 944646732 /nfs/dbraw/zinc/64/67/32/944646732.db2.gz DSPQIRQJAFRMMI-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CC(=O)N1CCN(Cc2c(C)cccc2O)[C@@H](C)C1 ZINC001237493508 944813208 /nfs/dbraw/zinc/81/32/08/944813208.db2.gz YQJJECMVKPTUEK-LBPRGKRZSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001238059490 945045323 /nfs/dbraw/zinc/04/53/23/945045323.db2.gz DDEHUTMCDORLHA-MFKMUULPSA-N 0 3 269.316 1.015 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001257028060 948485058 /nfs/dbraw/zinc/48/50/58/948485058.db2.gz QAEWKAHSRVLTHL-ZYHUDNBSSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258354497 948777205 /nfs/dbraw/zinc/77/72/05/948777205.db2.gz AJRZDLZHQBWUQA-SECBINFHSA-N 0 3 253.298 1.529 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001249171791 949435240 /nfs/dbraw/zinc/43/52/40/949435240.db2.gz FUZDVWMOLMHNBW-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001249171791 949435266 /nfs/dbraw/zinc/43/52/66/949435266.db2.gz FUZDVWMOLMHNBW-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC001308866380 956593846 /nfs/dbraw/zinc/59/38/46/956593846.db2.gz WZVAVPWSWVGHLU-XHDPSFHLSA-N 0 3 263.337 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC001308866380 956593855 /nfs/dbraw/zinc/59/38/55/956593855.db2.gz WZVAVPWSWVGHLU-XHDPSFHLSA-N 0 3 263.337 1.666 20 10 CDCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)NCCF ZINC001321696631 959910410 /nfs/dbraw/zinc/91/04/10/959910410.db2.gz RTEQBUCUPJTWFV-CYBMUJFWSA-N 0 3 293.386 1.851 20 10 CDCDHN Cc1cc(O)c(CN2CCN(CCO)CC2)cc1C ZINC000298591671 356902633 /nfs/dbraw/zinc/90/26/33/356902633.db2.gz IODINTWDLXAPAM-UHFFFAOYSA-N 0 3 264.369 1.119 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297823351 200287366 /nfs/dbraw/zinc/28/73/66/200287366.db2.gz RLNAPYRXOLTZEF-DOMZBBRYSA-N 0 3 265.353 1.757 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1 ZINC000530228165 361497691 /nfs/dbraw/zinc/49/76/91/361497691.db2.gz YCUHKWLPBQQEPF-VXGBXAGGSA-N 0 3 250.342 1.340 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000268499910 364056126 /nfs/dbraw/zinc/05/61/26/364056126.db2.gz XBVNUUOFCHGBTM-OAHLLOKOSA-N 0 3 293.319 1.506 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000268499910 364056131 /nfs/dbraw/zinc/05/61/31/364056131.db2.gz XBVNUUOFCHGBTM-OAHLLOKOSA-N 0 3 293.319 1.506 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282462238 364113538 /nfs/dbraw/zinc/11/35/38/364113538.db2.gz VSDJFGIHMIRNIG-DGIBIBHMSA-N 0 3 283.393 1.963 20 10 CDCDHN CCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272347675 365199937 /nfs/dbraw/zinc/19/99/37/365199937.db2.gz AKZUHENSADIFOG-FNORWQNLSA-N 0 3 290.363 1.665 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000172119250 365474867 /nfs/dbraw/zinc/47/48/67/365474867.db2.gz ZHUXYJAHIOKUHA-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1C ZINC000273578092 365508346 /nfs/dbraw/zinc/50/83/46/365508346.db2.gz MDVGDMLHNYJAIR-NWDGAFQWSA-N 0 3 262.353 1.890 20 10 CDCDHN Cc1cc(O)c(CN[C@@H](C)C(=O)NCCF)cc1C ZINC000282535340 367930407 /nfs/dbraw/zinc/93/04/07/367930407.db2.gz BSYBBCWXKJRYKW-NSHDSACASA-N 0 3 268.332 1.573 20 10 CDCDHN C[NH+](C)C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000128063484 375101266 /nfs/dbraw/zinc/10/12/66/375101266.db2.gz HGMBSWMFNTXFHO-ZDUSSCGKSA-N 0 3 284.787 1.808 20 10 CDCDHN CCOc1cccc(C[N@H+](CC)[C@@H](C)CO)c1[O-] ZINC000293575935 378575403 /nfs/dbraw/zinc/57/54/03/378575403.db2.gz HIDQQASSDXQTRJ-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](CC)[C@@H](C)CO)c1[O-] ZINC000293575935 378575408 /nfs/dbraw/zinc/57/54/08/378575408.db2.gz HIDQQASSDXQTRJ-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168733677 390936960 /nfs/dbraw/zinc/93/69/60/390936960.db2.gz XJNFRORYRIYVIW-LLVKDONJSA-N 0 3 262.353 1.877 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373143293 391107827 /nfs/dbraw/zinc/10/78/27/391107827.db2.gz WSJIKSSHOUMUGV-HIFRSBDPSA-N 0 3 281.327 1.959 20 10 CDCDHN COc1cccc(C[NH2+]C[C@](C)(O)c2ccco2)c1[O-] ZINC000174531487 391124030 /nfs/dbraw/zinc/12/40/30/391124030.db2.gz ZDKIMGCLDWOSME-HNNXBMFYSA-N 0 3 277.320 1.991 20 10 CDCDHN CO[C@H](C)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000182022210 391230293 /nfs/dbraw/zinc/23/02/93/391230293.db2.gz OOXMELGGLSOLJJ-CQSZACIVSA-N 0 3 278.396 1.990 20 10 CDCDHN C[C@H](CC[S@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000125561588 391260649 /nfs/dbraw/zinc/26/06/49/391260649.db2.gz KNYOMDZVZUDCGJ-AYLIAGHASA-N 0 3 285.365 1.368 20 10 CDCDHN Cc1cccc(CN2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000372691655 391861189 /nfs/dbraw/zinc/86/11/89/391861189.db2.gz RNYQENHVLCHKTR-HNNXBMFYSA-N 0 3 276.336 1.775 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000135728486 393309511 /nfs/dbraw/zinc/30/95/11/393309511.db2.gz DHVOKBWOIZYMMH-LLVKDONJSA-N 0 3 280.368 1.966 20 10 CDCDHN CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccccc1[O-] ZINC000281711812 286930607 /nfs/dbraw/zinc/93/06/07/286930607.db2.gz UAZLHSFMKHKGLD-WCQYABFASA-N 0 3 253.342 1.830 20 10 CDCDHN COc1cccc(C[NH2+]CCCN2CCN(C)CC2)c1[O-] ZINC000020128412 171015207 /nfs/dbraw/zinc/01/52/07/171015207.db2.gz RDMGUPYYSQUQNC-UHFFFAOYSA-N 0 3 293.411 1.128 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000371325224 267390102 /nfs/dbraw/zinc/39/01/02/267390102.db2.gz CMALCPNUIGCNCF-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193687581 276375011 /nfs/dbraw/zinc/37/50/11/276375011.db2.gz SARGMFAFNGRNSK-IINYFYTJSA-N 0 3 278.352 1.405 20 10 CDCDHN COC[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000296604390 277591356 /nfs/dbraw/zinc/59/13/56/277591356.db2.gz XXZRNLOOFOXEQG-NWDGAFQWSA-N 0 3 251.326 1.631 20 10 CDCDHN COc1c([O-])c(C[NH2+]CCCN(C)C)ccc1[N+](=O)[O-] ZINC000278868519 328231514 /nfs/dbraw/zinc/23/15/14/328231514.db2.gz MSWRIJJJIKQLCP-UHFFFAOYSA-N 0 3 283.328 1.350 20 10 CDCDHN COc1c([O-])c(CNCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278868519 328231515 /nfs/dbraw/zinc/23/15/15/328231515.db2.gz MSWRIJJJIKQLCP-UHFFFAOYSA-N 0 3 283.328 1.350 20 10 CDCDHN CNC(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228672570 329344259 /nfs/dbraw/zinc/34/42/59/329344259.db2.gz KJTYPUNAWUAJDX-UHFFFAOYSA-N 0 3 272.732 1.280 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000227976303 333292050 /nfs/dbraw/zinc/29/20/50/333292050.db2.gz RVROYRDVFVEVSJ-NHYWBVRUSA-N 0 3 281.352 1.420 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530223202 333529019 /nfs/dbraw/zinc/52/90/19/333529019.db2.gz HFJFPOPZCRZGPN-RYUDHWBXSA-N 0 3 250.342 1.340 20 10 CDCDHN CCN(CC)c1ccc(CN(C)CCC(N)=O)cc1F ZINC000289691823 520890972 /nfs/dbraw/zinc/89/09/72/520890972.db2.gz OIDHYOGMHKZNML-UHFFFAOYSA-N 0 3 281.375 1.979 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H](CO)COC)cc1F ZINC000279855638 520910231 /nfs/dbraw/zinc/91/02/31/520910231.db2.gz SDQPPQQDMZGQLP-ZDUSSCGKSA-N 0 3 284.375 1.769 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292490457 521151732 /nfs/dbraw/zinc/15/17/32/521151732.db2.gz BMGZVPGVDUZMAT-KGLIPLIRSA-N 0 3 281.352 1.420 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000292875721 521152114 /nfs/dbraw/zinc/15/21/14/521152114.db2.gz DPFKLZYDBQTNAU-UHFFFAOYSA-N 0 3 290.367 1.642 20 10 CDCDHN CN(C)CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000289777910 521748311 /nfs/dbraw/zinc/74/83/11/521748311.db2.gz LAPSWGOEZHTSQN-UHFFFAOYSA-N 0 3 253.365 1.885 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H](O)C2CC2)cc1OC ZINC000289536282 522781506 /nfs/dbraw/zinc/78/15/06/522781506.db2.gz WMMXUCQTHIEGOR-LBPRGKRZSA-N 0 3 267.325 1.270 20 10 CDCDHN COCCOCCNCc1ccc2c(c1)CCO2 ZINC000044424102 524010575 /nfs/dbraw/zinc/01/05/75/524010575.db2.gz CEIPEACSKCREFO-UHFFFAOYSA-N 0 3 251.326 1.374 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280305118 525350326 /nfs/dbraw/zinc/35/03/26/525350326.db2.gz NYXFYEVFMVBJKY-JSGCOSHPSA-N 0 3 265.353 1.435 20 10 CDCDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801754 525486418 /nfs/dbraw/zinc/48/64/18/525486418.db2.gz RSIGQQIYGCUPFT-RHSMWYFYSA-N 0 3 290.455 1.649 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)CCN(C)C)c1[O-] ZINC000049553128 526037334 /nfs/dbraw/zinc/03/73/34/526037334.db2.gz CNTJOOXCPUZCIJ-LLVKDONJSA-N 0 3 252.358 1.831 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCOC1 ZINC000725847685 574444151 /nfs/dbraw/zinc/44/41/51/574444151.db2.gz QFJFEVXRXBXMSV-NSHDSACASA-N 0 3 251.326 1.917 20 10 CDCDHN C[NH+](C)[C@@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732274760 575085657 /nfs/dbraw/zinc/08/56/57/575085657.db2.gz YSYOGLZEYICZEX-JTQLQIEISA-N 0 3 254.355 1.524 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000765798045 576056947 /nfs/dbraw/zinc/05/69/47/576056947.db2.gz UKVWZQSVAHZLRZ-QWHCGFSZSA-N 0 3 262.353 1.705 20 10 CDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)C ZINC000768441829 576283705 /nfs/dbraw/zinc/28/37/05/576283705.db2.gz OGEBJBRGYOJRPV-HNNXBMFYSA-N 0 3 295.379 1.922 20 10 CDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)C ZINC000768441829 576283706 /nfs/dbraw/zinc/28/37/06/576283706.db2.gz OGEBJBRGYOJRPV-HNNXBMFYSA-N 0 3 295.379 1.922 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000769301588 576343698 /nfs/dbraw/zinc/34/36/98/576343698.db2.gz XGASBVMWVGDBMQ-UHFFFAOYSA-N 0 3 293.363 1.986 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000769402934 576352332 /nfs/dbraw/zinc/35/23/32/576352332.db2.gz FAJSSMXBQFGOBT-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000769402934 576352333 /nfs/dbraw/zinc/35/23/33/576352333.db2.gz FAJSSMXBQFGOBT-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000753858994 576863161 /nfs/dbraw/zinc/86/31/61/576863161.db2.gz YVPOBHWICASKEE-ZDUSSCGKSA-N 0 3 294.370 1.993 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCCNc1ncccn1 ZINC000751507693 577046469 /nfs/dbraw/zinc/04/64/69/577046469.db2.gz RZMMIWBCXAKIAS-UHFFFAOYSA-N 0 3 288.351 1.783 20 10 CDCDHN COCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253421 617391598 /nfs/dbraw/zinc/39/15/98/617391598.db2.gz SJNJJIPJLBEXGB-OAHLLOKOSA-N 0 3 293.411 1.508 20 10 CDCDHN COc1cc(C)cc(CN(CC(N)=O)CC(C)C)c1O ZINC000893953415 618220269 /nfs/dbraw/zinc/22/02/69/618220269.db2.gz VGYABPKZILJNEA-UHFFFAOYSA-N 0 3 280.368 1.653 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnn(CCF)c2)c([O-])c1 ZINC000894185526 618672905 /nfs/dbraw/zinc/67/29/05/618672905.db2.gz PTLGYTBPYFQCGL-UHFFFAOYSA-N 0 3 279.315 1.857 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894542064 618952129 /nfs/dbraw/zinc/95/21/29/618952129.db2.gz WSRWLMQIKMDSQX-NSHDSACASA-N 0 3 280.368 1.666 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCF)N(C)C)cc1 ZINC000899101535 622045727 /nfs/dbraw/zinc/04/57/27/622045727.db2.gz IVYUIFDKQPJKKI-CQSZACIVSA-N 0 3 296.390 1.624 20 10 CDCDHN COC(=O)N1CC(C)([NH2+]Cc2ccccc2[O-])C1 ZINC000813327827 1163873379 /nfs/dbraw/zinc/87/33/79/1163873379.db2.gz KRCYZMXTAAZATJ-UHFFFAOYSA-N 0 3 250.298 1.323 20 10 CDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000842912773 730461135 /nfs/dbraw/zinc/46/11/35/730461135.db2.gz VXZNWLJLSFSXRG-RLCGTCKNSA-N 0 3 255.289 1.596 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000877617948 730464181 /nfs/dbraw/zinc/46/41/81/730464181.db2.gz AHTWWWPMEYKBLA-LLVKDONJSA-N 0 3 272.352 1.476 20 10 CDCDHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000777219966 730563788 /nfs/dbraw/zinc/56/37/88/730563788.db2.gz OKQSCXRECSWQDR-ZFWWWQNUSA-N 0 3 299.342 1.441 20 10 CDCDHN C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1[O-] ZINC000858599770 730602829 /nfs/dbraw/zinc/60/28/29/730602829.db2.gz PWXHGOJUQSKOBQ-NEPJUHHUSA-N 0 3 250.342 1.109 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@@H](N)CC(F)F)ccc21 ZINC000827913885 730699881 /nfs/dbraw/zinc/69/98/81/730699881.db2.gz RICAVYNITDDPCL-LBPRGKRZSA-N 0 3 297.349 1.668 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CC1(CO)CCCC1)OCO2 ZINC000160086944 730743518 /nfs/dbraw/zinc/74/35/18/730743518.db2.gz FUMXJLNMMHDHDW-UHFFFAOYSA-N 0 3 279.336 1.763 20 10 CDCDHN CN1CCC[C@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000704345313 730751218 /nfs/dbraw/zinc/75/12/18/730751218.db2.gz ONSRLISRDGOEOP-ZDUSSCGKSA-N 0 3 260.337 1.332 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)N(C)C ZINC000094617128 730856833 /nfs/dbraw/zinc/85/68/33/730856833.db2.gz IUXPEGPWHQWBRY-RKDXNWHRSA-N 0 3 254.305 1.659 20 10 CDCDHN COC[C@H](O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858154949 730882834 /nfs/dbraw/zinc/88/28/34/730882834.db2.gz WNZIWQSGAWSKLS-LLVKDONJSA-N 0 3 288.338 1.518 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000817983003 731007162 /nfs/dbraw/zinc/00/71/62/731007162.db2.gz JKZUBDMPVPUDCP-JQWIXIFHSA-N 0 3 284.787 1.993 20 10 CDCDHN CCCN1C[C@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000817410848 731494403 /nfs/dbraw/zinc/49/44/03/731494403.db2.gz INFOMGDBVFEMAE-LBPRGKRZSA-N 0 3 262.353 1.740 20 10 CDCDHN CCOc1ccc(O)c(CNC[C@@H](O)C(F)(F)F)c1 ZINC000790999266 731536671 /nfs/dbraw/zinc/53/66/71/731536671.db2.gz DBCFEHWRVWYVFC-LLVKDONJSA-N 0 3 279.258 1.804 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000788270365 731561454 /nfs/dbraw/zinc/56/14/54/731561454.db2.gz RHNFAEMHKXRDPA-CMPLNLGQSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000788270365 731561459 /nfs/dbraw/zinc/56/14/59/731561459.db2.gz RHNFAEMHKXRDPA-CMPLNLGQSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCc1nccnc1C ZINC000815155114 731605986 /nfs/dbraw/zinc/60/59/86/731605986.db2.gz XGZPEGXODQZUDP-UHFFFAOYSA-N 0 3 273.336 1.832 20 10 CDCDHN Cc1cc(CN[C@@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C ZINC000815106862 731880816 /nfs/dbraw/zinc/88/08/16/731880816.db2.gz BVXPWFLMJQGWAY-NHYWBVRUSA-N 0 3 275.396 1.675 20 10 CDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)N1CCCC1 ZINC000134589165 732056194 /nfs/dbraw/zinc/05/61/94/732056194.db2.gz UZWPZKXLLDFXAQ-JTQLQIEISA-N 0 3 292.335 1.221 20 10 CDCDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000777219961 732074250 /nfs/dbraw/zinc/07/42/50/732074250.db2.gz OKQSCXRECSWQDR-HIFRSBDPSA-N 0 3 299.342 1.441 20 10 CDCDHN Cc1cccc(O)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC000877627041 732174972 /nfs/dbraw/zinc/17/49/72/732174972.db2.gz HKPAGRATECEOIG-CQSZACIVSA-N 0 3 276.380 1.607 20 10 CDCDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCS1(=O)=O ZINC000379858641 732261272 /nfs/dbraw/zinc/26/12/72/732261272.db2.gz NKVSBSNQZWMHDP-MWLCHTKSSA-N 0 3 255.339 1.057 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000825279587 732344861 /nfs/dbraw/zinc/34/48/61/732344861.db2.gz STESNAXKWRDROJ-GZMMTYOYSA-N 0 3 298.770 1.798 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000862428632 732434557 /nfs/dbraw/zinc/43/45/57/732434557.db2.gz STLXOTSAXHCMSI-ZDUSSCGKSA-N 0 3 292.379 1.844 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000862428632 732434562 /nfs/dbraw/zinc/43/45/62/732434562.db2.gz STLXOTSAXHCMSI-ZDUSSCGKSA-N 0 3 292.379 1.844 20 10 CDCDHN COCCN(CCOC)Cc1cc(OC)c(C)cc1O ZINC000159662754 732894825 /nfs/dbraw/zinc/89/48/25/732894825.db2.gz RIDQEYASPFXLCG-UHFFFAOYSA-N 0 3 283.368 1.804 20 10 CDCDHN CC(C)(CNCc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000093523212 732996127 /nfs/dbraw/zinc/99/61/27/732996127.db2.gz PKDPDYGEGPBPPX-UHFFFAOYSA-N 0 3 283.393 1.534 20 10 CDCDHN CN(C)c1cc(F)c(CNCCN2CCOCC2)cc1F ZINC000858087040 733073651 /nfs/dbraw/zinc/07/36/51/733073651.db2.gz RRCAAXLDIRYOJX-UHFFFAOYSA-N 0 3 299.365 1.453 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)c([O-])c1 ZINC000877559602 1166057199 /nfs/dbraw/zinc/05/71/99/1166057199.db2.gz POXQUPOJGHYBGU-OAHLLOKOSA-N 0 3 278.396 1.637 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045762 913985390 /nfs/dbraw/zinc/98/53/90/913985390.db2.gz WCTOSSULKZMUQW-NWDGAFQWSA-N 0 3 252.745 1.982 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N(C)C ZINC000094617127 901344280 /nfs/dbraw/zinc/34/42/80/901344280.db2.gz IUXPEGPWHQWBRY-DTWKUNHWSA-N 0 3 254.305 1.659 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Cl ZINC001236024732 914567164 /nfs/dbraw/zinc/56/71/64/914567164.db2.gz FWFRMBNJGYGFOM-ZANVPECISA-N 0 3 268.744 1.587 20 10 CDCDHN CN1CCCc2cc(CN3C[C@@H](F)[C@@H](N)C3)ccc21 ZINC001204822548 907514156 /nfs/dbraw/zinc/51/41/56/907514156.db2.gz CGBPVAPWLNQHEY-KGLIPLIRSA-N 0 3 263.360 1.550 20 10 CDCDHN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172600978 911768896 /nfs/dbraw/zinc/76/88/96/911768896.db2.gz HCSTVAZPLMNROJ-CMPLNLGQSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2ccc(OC)cc2O)CCCO1 ZINC001203634633 919946537 /nfs/dbraw/zinc/94/65/37/919946537.db2.gz OMKPKFHOYADJEE-CQSZACIVSA-N 0 3 295.335 1.165 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000391500083 936658424 /nfs/dbraw/zinc/65/84/24/936658424.db2.gz VOBKOFQJNVINMV-RYUDHWBXSA-N 0 3 262.353 1.972 20 10 CDCDHN Cc1ccc(C)c(CN2CCCN(C)C(=O)C2)c1O ZINC001140182241 936685015 /nfs/dbraw/zinc/68/50/15/936685015.db2.gz LXHTYLRVEHIIPW-UHFFFAOYSA-N 0 3 262.353 1.673 20 10 CDCDHN Cc1c(O)ccc(CN2CCO[C@@H](CN(C)C)C2)c1O ZINC001140744068 936748656 /nfs/dbraw/zinc/74/86/56/936748656.db2.gz KNGYOQAKULKYPQ-ZDUSSCGKSA-N 0 3 280.368 1.169 20 10 CDCDHN CCc1cccc(CNCC(=O)NC(C)C)c1O ZINC000691482034 928997770 /nfs/dbraw/zinc/99/77/70/928997770.db2.gz IZWFBTFWJQDIAW-UHFFFAOYSA-N 0 3 250.342 1.569 20 10 CDCDHN COc1cc(CN2C[C@@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824830502 931484167 /nfs/dbraw/zinc/48/41/67/931484167.db2.gz QNHIINNXKPWHFF-OKILXGFUSA-N 0 3 295.379 1.236 20 10 CDCDHN C[C@@H]1CN(Cc2c(O)cc(O)cc2O)C[C@H](C)O1 ZINC001144500375 931859503 /nfs/dbraw/zinc/85/95/03/931859503.db2.gz SVBDYYCCONGPMO-DTORHVGOSA-N 0 3 253.298 1.413 20 10 CDCDHN Oc1cc(O)c(CN2CCOCC23CCC3)c(O)c1 ZINC001144514850 931877838 /nfs/dbraw/zinc/87/78/38/931877838.db2.gz UVPHVHYOSBNUOR-UHFFFAOYSA-N 0 3 265.309 1.558 20 10 CDCDHN CCC[NH+]1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC001148219230 932670817 /nfs/dbraw/zinc/67/08/17/932670817.db2.gz XPCBDZLEXPAADU-VXGBXAGGSA-N 0 3 290.363 1.512 20 10 CDCDHN C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589596 932753425 /nfs/dbraw/zinc/75/34/25/932753425.db2.gz DEZDDGJVYZABMT-QWRGUYRKSA-N 0 3 294.351 1.406 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC001203634610 939698890 /nfs/dbraw/zinc/69/88/90/939698890.db2.gz NMVCDDFXBULVAQ-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC001203634610 939698891 /nfs/dbraw/zinc/69/88/91/939698891.db2.gz NMVCDDFXBULVAQ-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001203940094 939715194 /nfs/dbraw/zinc/71/51/94/939715194.db2.gz IKLSFSQIDVGAIU-NVXWUHKLSA-N 0 3 292.423 1.708 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001203940095 939715203 /nfs/dbraw/zinc/71/52/03/939715203.db2.gz IKLSFSQIDVGAIU-RDJZCZTQSA-N 0 3 292.423 1.708 20 10 CDCDHN C[C@]1(O)CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275843 939750401 /nfs/dbraw/zinc/75/04/01/939750401.db2.gz CVHZMDFADKXGAN-AWEZNQCLSA-N 0 3 251.326 1.835 20 10 CDCDHN C[C@]1(O)CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275843 939750403 /nfs/dbraw/zinc/75/04/03/939750403.db2.gz CVHZMDFADKXGAN-AWEZNQCLSA-N 0 3 251.326 1.835 20 10 CDCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281767 939752852 /nfs/dbraw/zinc/75/28/52/939752852.db2.gz IPKRJFUGHIEQMU-MFKMUULPSA-N 0 3 261.321 1.899 20 10 CDCDHN O=C1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281767 939752853 /nfs/dbraw/zinc/75/28/53/939752853.db2.gz IPKRJFUGHIEQMU-MFKMUULPSA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc(CN2CCN(C(C)C)CC2)cc(O)c1O ZINC001204340394 939756640 /nfs/dbraw/zinc/75/66/40/939756640.db2.gz PPGTUJDVFIPSTD-UHFFFAOYSA-N 0 3 280.368 1.632 20 10 CDCDHN CCOc1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204837116 939797064 /nfs/dbraw/zinc/79/70/64/939797064.db2.gz RODHMVMGCMJBEM-NEPJUHHUSA-N 0 3 254.305 1.272 20 10 CDCDHN COc1cc(C)c(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001205305155 939879560 /nfs/dbraw/zinc/87/95/60/939879560.db2.gz FMMBFPVEEKODAN-ZDUSSCGKSA-N 0 3 292.379 1.226 20 10 CDCDHN COc1ccc(C[NH+]2CCC(C)(O)CC2)c([O-])c1 ZINC000179727404 940831947 /nfs/dbraw/zinc/83/19/47/940831947.db2.gz FUMGFTWAERUNBH-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@H](C)[C@H](O)C1 ZINC001231849287 943029503 /nfs/dbraw/zinc/02/95/03/943029503.db2.gz QYOYGVWPXWLOTO-SMDDNHRTSA-N 0 3 264.369 1.574 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCN(C)[C@H](C)C1 ZINC001231855592 943031146 /nfs/dbraw/zinc/03/11/46/943031146.db2.gz WRUZUZBYPHBBKV-CYBMUJFWSA-N 0 3 277.412 1.897 20 10 CDCDHN CN(C)c1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001232838806 943415495 /nfs/dbraw/zinc/41/54/95/943415495.db2.gz JNYIYLJXFOZXRG-CYBMUJFWSA-N 0 3 277.368 1.298 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001236783062 944566871 /nfs/dbraw/zinc/56/68/71/944566871.db2.gz HQJMLHYDSGECDL-CVEARBPZSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001236783062 944566875 /nfs/dbraw/zinc/56/68/75/944566875.db2.gz HQJMLHYDSGECDL-CVEARBPZSA-N 0 3 279.380 1.520 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@H](CO)C[C@H](F)C1 ZINC001237485428 944810407 /nfs/dbraw/zinc/81/04/07/944810407.db2.gz PDQPXXMRJPPWQN-NEPJUHHUSA-N 0 3 253.317 1.853 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001237493137 944814836 /nfs/dbraw/zinc/81/48/36/944814836.db2.gz VOFLJMHXWKHZCL-WCQYABFASA-N 0 3 260.337 1.269 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001237493137 944814844 /nfs/dbraw/zinc/81/48/44/944814844.db2.gz VOFLJMHXWKHZCL-WCQYABFASA-N 0 3 260.337 1.269 20 10 CDCDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2ccc(N)cc2)CN1 ZINC001246172455 948008299 /nfs/dbraw/zinc/00/82/99/948008299.db2.gz RRZDMFNZVVPCSQ-KBPBESRZSA-N 0 3 291.395 1.431 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC001249174093 949442532 /nfs/dbraw/zinc/44/25/32/949442532.db2.gz ZBLDSCWMBJMECY-LBPRGKRZSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC001249174093 949442549 /nfs/dbraw/zinc/44/25/49/949442549.db2.gz ZBLDSCWMBJMECY-LBPRGKRZSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c([O-])c1 ZINC001249217878 949458882 /nfs/dbraw/zinc/45/88/82/949458882.db2.gz UHADUBWNNRIILE-INIZCTEOSA-N 0 3 291.347 1.473 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)c([O-])c1 ZINC001249217878 949458901 /nfs/dbraw/zinc/45/89/01/949458901.db2.gz UHADUBWNNRIILE-INIZCTEOSA-N 0 3 291.347 1.473 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1O ZINC001573974404 1170847730 /nfs/dbraw/zinc/84/77/30/1170847730.db2.gz GJLUETSMVLYQBC-SNVBAGLBSA-N 0 3 272.732 1.026 20 10 CDCDHN CC(C)(O)[C@H](N)C(=O)NCc1c(O)ccc2ccccc21 ZINC001575387365 1171164514 /nfs/dbraw/zinc/16/45/14/1171164514.db2.gz OLJDEBXSUBVQEU-CQSZACIVSA-N 0 3 288.347 1.260 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCc1ccco1 ZINC000180921919 357293829 /nfs/dbraw/zinc/29/38/29/357293829.db2.gz WYSFLTQYGJHGJG-JTQLQIEISA-N 0 3 292.310 1.919 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180145341 357246116 /nfs/dbraw/zinc/24/61/16/357246116.db2.gz PVGIVOHBLKLMMO-JTQLQIEISA-N 0 3 266.316 1.489 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180145341 357246119 /nfs/dbraw/zinc/24/61/19/357246119.db2.gz PVGIVOHBLKLMMO-JTQLQIEISA-N 0 3 266.316 1.489 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180506130 357273341 /nfs/dbraw/zinc/27/33/41/357273341.db2.gz PIIQGSLZNGWKOZ-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180506130 357273342 /nfs/dbraw/zinc/27/33/42/357273342.db2.gz PIIQGSLZNGWKOZ-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230663356 360336162 /nfs/dbraw/zinc/33/61/62/360336162.db2.gz WGAKKSAYBYWBKG-ONGXEEELSA-N 0 3 257.305 1.579 20 10 CDCDHN CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000271302935 364979860 /nfs/dbraw/zinc/97/98/60/364979860.db2.gz SSXSDVMDLSEXGB-UHFFFAOYSA-N 0 3 278.352 1.574 20 10 CDCDHN Cc1nc(CC[N@@H+](C)Cc2cc(F)ccc2[O-])no1 ZINC000272301628 365179315 /nfs/dbraw/zinc/17/93/15/365179315.db2.gz PSNFKIHJPJCDEI-UHFFFAOYSA-N 0 3 265.288 1.897 20 10 CDCDHN Cc1nc(CC[N@H+](C)Cc2cc(F)ccc2[O-])no1 ZINC000272301628 365179323 /nfs/dbraw/zinc/17/93/23/365179323.db2.gz PSNFKIHJPJCDEI-UHFFFAOYSA-N 0 3 265.288 1.897 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000273382183 365491521 /nfs/dbraw/zinc/49/15/21/365491521.db2.gz IOAAXIHIHLHZJW-AAEUAGOBSA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000273382183 365491529 /nfs/dbraw/zinc/49/15/29/365491529.db2.gz IOAAXIHIHLHZJW-AAEUAGOBSA-N 0 3 282.359 1.639 20 10 CDCDHN CCOc1cccc(CN(C)CCOCCO)c1O ZINC000282776505 368032792 /nfs/dbraw/zinc/03/27/92/368032792.db2.gz PZEOJGWCBODOQY-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2ccccc2[O-])nn1 ZINC000284293138 368510061 /nfs/dbraw/zinc/51/00/61/368510061.db2.gz IHAONNSXXIUPJQ-SNVBAGLBSA-N 0 3 290.323 1.121 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1OC ZINC000294579459 371071257 /nfs/dbraw/zinc/07/12/57/371071257.db2.gz MPUQZNBCGMPKTR-IYBDPMFKSA-N 0 3 278.396 1.907 20 10 CDCDHN CC[C@@H](O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000124375931 375966998 /nfs/dbraw/zinc/96/69/98/375966998.db2.gz OJHHNLSAYNNVIN-SNVBAGLBSA-N 0 3 253.298 1.372 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](O)CC1)OCO2 ZINC000293889854 378601955 /nfs/dbraw/zinc/60/19/55/378601955.db2.gz DSBFUHCGZFCPEG-NSHDSACASA-N 0 3 265.309 1.468 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](O)CC1)OCO2 ZINC000293889854 378601960 /nfs/dbraw/zinc/60/19/60/378601960.db2.gz DSBFUHCGZFCPEG-NSHDSACASA-N 0 3 265.309 1.468 20 10 CDCDHN CCOCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000092885161 390897988 /nfs/dbraw/zinc/89/79/88/390897988.db2.gz YLZUVIAJIJGIJR-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1[O-] ZINC000093360784 390901855 /nfs/dbraw/zinc/90/18/55/390901855.db2.gz NLBNIVUYRJPOPM-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)NC)C2)c1[O-] ZINC000093360784 390901857 /nfs/dbraw/zinc/90/18/57/390901857.db2.gz NLBNIVUYRJPOPM-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1[O-] ZINC000373738390 391130242 /nfs/dbraw/zinc/13/02/42/391130242.db2.gz OUOLCIRVARQHHR-IACUBPJLSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1[O-] ZINC000373738390 391130246 /nfs/dbraw/zinc/13/02/46/391130246.db2.gz OUOLCIRVARQHHR-IACUBPJLSA-N 0 3 274.364 1.786 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000182430669 391234880 /nfs/dbraw/zinc/23/48/80/391234880.db2.gz WEFHFZFENFCGCO-ZDUSSCGKSA-N 0 3 255.383 1.904 20 10 CDCDHN O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179559043 391210694 /nfs/dbraw/zinc/21/06/94/391210694.db2.gz LLALDAMYDPJPAP-ZDUSSCGKSA-N 0 3 260.337 1.635 20 10 CDCDHN O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179559043 391210696 /nfs/dbraw/zinc/21/06/96/391210696.db2.gz LLALDAMYDPJPAP-ZDUSSCGKSA-N 0 3 260.337 1.635 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000164757998 391290252 /nfs/dbraw/zinc/29/02/52/391290252.db2.gz IRVGVIAJQGLVQS-XTZNXHDOSA-N 0 3 271.382 1.648 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020125222 171008440 /nfs/dbraw/zinc/00/84/40/171008440.db2.gz BQKVJZKVLZHZSV-NSHDSACASA-N 0 3 250.342 1.815 20 10 CDCDHN CCN(CC)c1ccc(CNCC(=O)N(C)C)cc1 ZINC000037207311 173028811 /nfs/dbraw/zinc/02/88/11/173028811.db2.gz AVZWOOMRMZPHJH-UHFFFAOYSA-N 0 3 263.385 1.711 20 10 CDCDHN C[C@H](NC[C@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060940 174072722 /nfs/dbraw/zinc/07/27/22/174072722.db2.gz NUBZLKHHZJRSJY-WFASDCNBSA-N 0 3 264.369 1.819 20 10 CDCDHN CCN1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000038098021 174112320 /nfs/dbraw/zinc/11/23/20/174112320.db2.gz JNAPEIKNKOVKHS-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN CN1CCN(CCC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000090714263 260261897 /nfs/dbraw/zinc/26/18/97/260261897.db2.gz ZFECRNRGZGNGLZ-UHFFFAOYSA-N 0 3 297.830 1.773 20 10 CDCDHN COCCN(CCOC)Cc1ccc(N(C)C)cc1 ZINC000158181081 261159789 /nfs/dbraw/zinc/15/97/89/261159789.db2.gz POTIWALQDQEQPT-UHFFFAOYSA-N 0 3 266.385 1.847 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185392088 262053148 /nfs/dbraw/zinc/05/31/48/262053148.db2.gz IMOJVSFLALTSAO-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000184921397 262300389 /nfs/dbraw/zinc/30/03/89/262300389.db2.gz AWURHKHSYJJMGB-VIFPVBQESA-N 0 3 290.360 1.121 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000125533908 264011807 /nfs/dbraw/zinc/01/18/07/264011807.db2.gz ICQSPVCOXRWSKV-APPDUMDISA-N 0 3 255.383 1.947 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000224856876 329244865 /nfs/dbraw/zinc/24/48/65/329244865.db2.gz LPSUYZHFQSZJCF-NOZJJQNGSA-N 0 3 271.382 1.603 20 10 CDCDHN C[C@H](CC[S@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000122754154 329553925 /nfs/dbraw/zinc/55/39/25/329553925.db2.gz FPOOSGTWBWQBEB-ADLMAVQZSA-N 0 3 267.394 1.868 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000219923261 333159404 /nfs/dbraw/zinc/15/94/04/333159404.db2.gz PYVVNMCYZYWACT-KOLCDFICSA-N 0 3 265.309 1.778 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000224805561 333225780 /nfs/dbraw/zinc/22/57/80/333225780.db2.gz MBEFIDGKQHWUDE-NSHDSACASA-N 0 3 264.369 1.973 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@@H](O)CO)cc1F ZINC000276710096 520906276 /nfs/dbraw/zinc/90/62/76/520906276.db2.gz GNEXFJARHPQEKJ-GFCCVEGCSA-N 0 3 270.348 1.115 20 10 CDCDHN COC[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000020087476 522625825 /nfs/dbraw/zinc/62/58/25/522625825.db2.gz NMGFTHJAAKENHW-ZDUSSCGKSA-N 0 3 264.369 1.648 20 10 CDCDHN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccccc1[O-] ZINC000290258584 522954186 /nfs/dbraw/zinc/95/41/86/522954186.db2.gz UXTUDYDDUFUUPT-DYEKYZERSA-N 0 3 251.326 1.847 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000279836957 525347431 /nfs/dbraw/zinc/34/74/31/525347431.db2.gz QSEHBFUTITVDTC-UHFFFAOYSA-N 0 3 283.393 1.758 20 10 CDCDHN Cc1ccc(O)c(CNCC2(S(C)(=O)=O)CCC2)c1 ZINC000279836957 525347439 /nfs/dbraw/zinc/34/74/39/525347439.db2.gz QSEHBFUTITVDTC-UHFFFAOYSA-N 0 3 283.393 1.758 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000129527368 525939932 /nfs/dbraw/zinc/93/99/32/525939932.db2.gz ZASMRFKQZBIVHQ-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000129527368 525939926 /nfs/dbraw/zinc/93/99/26/525939926.db2.gz ZASMRFKQZBIVHQ-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(CN2CCN(C3CC3)CC2)c1O ZINC000127931158 525946752 /nfs/dbraw/zinc/94/67/52/525946752.db2.gz CFBCOWBPWJAROL-UHFFFAOYSA-N 0 3 262.353 1.681 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)Cn2cncn2)c1[O-] ZINC000725849156 574444431 /nfs/dbraw/zinc/44/44/31/574444431.db2.gz JFSOWZDGRCSWJL-SNVBAGLBSA-N 0 3 262.313 1.171 20 10 CDCDHN CC[C@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727060859 574540007 /nfs/dbraw/zinc/54/00/07/574540007.db2.gz XINRLVUHWDEQJQ-CQSZACIVSA-N 0 3 293.411 1.072 20 10 CDCDHN CCN(CC)CCOC(=O)c1ccc(C)c(O)c1O ZINC000772068496 575658072 /nfs/dbraw/zinc/65/80/72/575658072.db2.gz GERCDPDRDBKZQN-UHFFFAOYSA-N 0 3 267.325 1.905 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000769566774 575360687 /nfs/dbraw/zinc/36/06/87/575360687.db2.gz HRXKWZCONPCYNH-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769566774 575360691 /nfs/dbraw/zinc/36/06/91/575360691.db2.gz HRXKWZCONPCYNH-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770751730 575495287 /nfs/dbraw/zinc/49/52/87/575495287.db2.gz AOYONOIIEPLJEZ-WBMJQRKESA-N 0 3 293.363 1.829 20 10 CDCDHN COc1cccc(C[NH+]2CCC(CCO)CC2)c1[O-] ZINC000768238349 576266236 /nfs/dbraw/zinc/26/62/36/576266236.db2.gz YOLSURUMYLRANU-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN CC1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768465912 576287994 /nfs/dbraw/zinc/28/79/94/576287994.db2.gz SHZBPHVZZFOJKD-CQSZACIVSA-N 0 3 261.321 1.970 20 10 CDCDHN CC1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768465912 576287995 /nfs/dbraw/zinc/28/79/95/576287995.db2.gz SHZBPHVZZFOJKD-CQSZACIVSA-N 0 3 261.321 1.970 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000769139534 576333512 /nfs/dbraw/zinc/33/35/12/576333512.db2.gz ITMMJSVPKNNSDW-UHFFFAOYSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769304740 576344068 /nfs/dbraw/zinc/34/40/68/576344068.db2.gz DDLPFDOJKGJPFS-LBPRGKRZSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769304740 576344070 /nfs/dbraw/zinc/34/40/70/576344070.db2.gz DDLPFDOJKGJPFS-LBPRGKRZSA-N 0 3 293.363 1.986 20 10 CDCDHN Cc1cc(O)c(CN2CCN(CCCCO)CC2)cc1C ZINC000769393350 576351371 /nfs/dbraw/zinc/35/13/71/576351371.db2.gz AKAPRFSTNARGSQ-UHFFFAOYSA-N 0 3 292.423 1.899 20 10 CDCDHN CCOc1ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000769481679 576358145 /nfs/dbraw/zinc/35/81/45/576358145.db2.gz DGHNDYZBIKZYQZ-HOCLYGCPSA-N 0 3 292.379 1.306 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000761223916 576560999 /nfs/dbraw/zinc/56/09/99/576560999.db2.gz VCNKQELSMTUBLD-HIFRSBDPSA-N 0 3 281.352 1.684 20 10 CDCDHN C[C@H](NC[C@@H](O)C[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756551832 576995091 /nfs/dbraw/zinc/99/50/91/576995091.db2.gz AQBKVHOZUFDMMH-WCBMZHEXSA-N 0 3 274.311 1.244 20 10 CDCDHN C[NH2+]CCCNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841041892 618677132 /nfs/dbraw/zinc/67/71/32/618677132.db2.gz JTLXHVFQEXECHF-UHFFFAOYSA-N 0 3 273.720 1.653 20 10 CDCDHN [O-]c1c(Br)cccc1CN[C@H]1CCC[NH2+]C1 ZINC000841041668 618677284 /nfs/dbraw/zinc/67/72/84/618677284.db2.gz DGOUQGOUJMQOPP-JTQLQIEISA-N 0 3 285.185 1.996 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000877021934 735184516 /nfs/dbraw/zinc/18/45/16/735184516.db2.gz WUXGREKWVFAEPN-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CC1CC(O)C1 ZINC000785984601 735488150 /nfs/dbraw/zinc/48/81/50/735488150.db2.gz OIROWPFVXHQXTN-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CC1CC(O)C1 ZINC000785984601 735488163 /nfs/dbraw/zinc/48/81/63/735488163.db2.gz OIROWPFVXHQXTN-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN [O-]c1c(Cl)cccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827119516 735997659 /nfs/dbraw/zinc/99/76/59/735997659.db2.gz MQVGQIQFVAFWKD-ZDUSSCGKSA-N 0 3 296.798 1.952 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CN(C)CCO1 ZINC000834685491 733293938 /nfs/dbraw/zinc/29/39/38/733293938.db2.gz XNCVODUOSDWKDC-LNSITVRQSA-N 0 3 276.380 1.688 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)[C@@H](C)O ZINC000930351308 733384248 /nfs/dbraw/zinc/38/42/48/733384248.db2.gz OKICJDULLNWDKS-DOMZBBRYSA-N 0 3 267.369 1.736 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)[C@@H](C)O ZINC000930351308 733384250 /nfs/dbraw/zinc/38/42/50/733384250.db2.gz OKICJDULLNWDKS-DOMZBBRYSA-N 0 3 267.369 1.736 20 10 CDCDHN CCS(=O)(=O)CCN[C@@H](C)c1cc(OC)ccc1O ZINC000185330870 733681682 /nfs/dbraw/zinc/68/16/82/733681682.db2.gz XMQOYEOSJCBSJB-JTQLQIEISA-N 0 3 287.381 1.486 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1F ZINC000865750483 733718249 /nfs/dbraw/zinc/71/82/49/733718249.db2.gz SNACYZMHWHEAST-TZMCWYRMSA-N 0 3 268.332 1.131 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c([O-])c1 ZINC000877312007 733935616 /nfs/dbraw/zinc/93/56/16/733935616.db2.gz BSJPSIVWFYVUIA-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877782216 733961900 /nfs/dbraw/zinc/96/19/00/733961900.db2.gz NQAOJECLNBOTSE-UHFFFAOYSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)c([O-])c1 ZINC000877090655 734054766 /nfs/dbraw/zinc/05/47/66/734054766.db2.gz WXBLEQULVJAUOU-GTNSWQLSSA-N 0 3 255.383 1.947 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000840956988 734131717 /nfs/dbraw/zinc/13/17/17/734131717.db2.gz CGVKWOGCUICLJE-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000840956988 734131719 /nfs/dbraw/zinc/13/17/19/734131719.db2.gz CGVKWOGCUICLJE-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840957157 734289892 /nfs/dbraw/zinc/28/98/92/734289892.db2.gz GRLIAVFUHKNRRV-SNVBAGLBSA-N 0 3 266.316 1.441 20 10 CDCDHN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840957157 734289895 /nfs/dbraw/zinc/28/98/95/734289895.db2.gz GRLIAVFUHKNRRV-SNVBAGLBSA-N 0 3 266.316 1.441 20 10 CDCDHN Cc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c([O-])c1 ZINC000877045095 734291736 /nfs/dbraw/zinc/29/17/36/734291736.db2.gz PNIJIUZFVQCZTH-AWEZNQCLSA-N 0 3 265.353 1.986 20 10 CDCDHN CC[C@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996054 734294440 /nfs/dbraw/zinc/29/44/40/734294440.db2.gz NBPCFUNOKAHMQH-LBPRGKRZSA-N 0 3 292.314 1.784 20 10 CDCDHN CCc1cccc(CNCC(=O)NCC(F)(F)F)c1O ZINC000709487313 734394010 /nfs/dbraw/zinc/39/40/10/734394010.db2.gz ZMBORECIYTWTGP-UHFFFAOYSA-N 0 3 290.285 1.723 20 10 CDCDHN C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000036828482 734648991 /nfs/dbraw/zinc/64/89/91/734648991.db2.gz YSQCSJKZZZQDBC-NSHDSACASA-N 0 3 298.408 1.467 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1Cl ZINC000825520227 734666922 /nfs/dbraw/zinc/66/69/22/734666922.db2.gz XFALHSYNDCPWPD-AWEZNQCLSA-N 0 3 284.787 1.510 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000322967804 734705492 /nfs/dbraw/zinc/70/54/92/734705492.db2.gz WEPZEXMAKYTPJV-QMMMGPOBSA-N 0 3 286.759 1.668 20 10 CDCDHN CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000109769786 734867476 /nfs/dbraw/zinc/86/74/76/734867476.db2.gz OZHMBBMGPUUYLT-UHFFFAOYSA-N 0 3 286.397 1.106 20 10 CDCDHN CN(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000109769786 734867479 /nfs/dbraw/zinc/86/74/79/734867479.db2.gz OZHMBBMGPUUYLT-UHFFFAOYSA-N 0 3 286.397 1.106 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC(C)C)c1 ZINC000828667289 734928079 /nfs/dbraw/zinc/92/80/79/734928079.db2.gz PBTNKHQEHXDZKB-GXFFZTMASA-N 0 3 280.368 1.951 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000877118473 735067630 /nfs/dbraw/zinc/06/76/30/735067630.db2.gz CFZSRUZWDDKPJH-GFCCVEGCSA-N 0 3 298.408 1.072 20 10 CDCDHN CC(=O)c1cc(Cl)cc(Cn2cc([C@@H](C)N)nn2)c1O ZINC000880999062 735115288 /nfs/dbraw/zinc/11/52/88/735115288.db2.gz FIRKUZMRAVAZRY-SSDOTTSWSA-N 0 3 294.742 1.908 20 10 CDCDHN C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000858602099 735176472 /nfs/dbraw/zinc/17/64/72/735176472.db2.gz QAMYAYAMWRSXNG-PWSUYJOCSA-N 0 3 268.332 1.249 20 10 CDCDHN Cc1cc(Br)c([O-])c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841078534 735642886 /nfs/dbraw/zinc/64/28/86/735642886.db2.gz UNKNRGHKRVDREA-IAZYJMLFSA-N 0 3 297.196 1.771 20 10 CDCDHN COCCN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876986638 736000138 /nfs/dbraw/zinc/00/01/38/736000138.db2.gz JNYBRRSNQMXHLR-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN CCN1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1=O ZINC000787233610 736285311 /nfs/dbraw/zinc/28/53/11/736285311.db2.gz QFZHHIRRVUNMRK-UHFFFAOYSA-N 0 3 299.374 1.995 20 10 CDCDHN CCN1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1=O ZINC000787233610 736285321 /nfs/dbraw/zinc/28/53/21/736285321.db2.gz QFZHHIRRVUNMRK-UHFFFAOYSA-N 0 3 299.374 1.995 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2F)CC[C@H]1F ZINC001206200638 912569332 /nfs/dbraw/zinc/56/93/32/912569332.db2.gz SIRJQFNNCRJIML-KOLCDFICSA-N 0 3 274.286 1.932 20 10 CDCDHN CCOC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161139 899831005 /nfs/dbraw/zinc/83/10/05/899831005.db2.gz ALVWUXLGEVETIF-UHFFFAOYSA-N 0 3 294.351 1.808 20 10 CDCDHN CC(C)N(C)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001142586972 909508403 /nfs/dbraw/zinc/50/84/03/909508403.db2.gz WWDLSPZIKXYIMH-UHFFFAOYSA-N 0 3 292.379 1.713 20 10 CDCDHN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172597980 911762552 /nfs/dbraw/zinc/76/25/52/911762552.db2.gz PZJYHUUZIDZEOG-JQWIXIFHSA-N 0 3 279.336 1.919 20 10 CDCDHN COc1cc(O)c(CN2CCC(=O)N(C)CC2)cc1OC ZINC000827359308 936589014 /nfs/dbraw/zinc/58/90/14/936589014.db2.gz LJAYGRQQWKBSAD-UHFFFAOYSA-N 0 3 294.351 1.074 20 10 CDCDHN COc1cc(CN2CCC(=O)CC2)cc(CN(C)C)c1O ZINC001139256391 936611770 /nfs/dbraw/zinc/61/17/70/936611770.db2.gz ZWQZGMVXXJBUHD-UHFFFAOYSA-N 0 3 292.379 1.627 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)cc1F)CC1COC1 ZINC001140664049 936736483 /nfs/dbraw/zinc/73/64/83/936736483.db2.gz WLCJVQCIMRTNKP-UHFFFAOYSA-N 0 3 294.370 1.741 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001140948140 936782153 /nfs/dbraw/zinc/78/21/53/936782153.db2.gz VHUJWHPOYDFOLQ-QWHCGFSZSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001140948140 936782155 /nfs/dbraw/zinc/78/21/55/936782155.db2.gz VHUJWHPOYDFOLQ-QWHCGFSZSA-N 0 3 253.317 1.995 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C2)c(OC)c1 ZINC001141032101 936795487 /nfs/dbraw/zinc/79/54/87/936795487.db2.gz SCKGXXXUARHUJL-JTQLQIEISA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C2)c(OC)c1 ZINC001141032101 936795489 /nfs/dbraw/zinc/79/54/89/936795489.db2.gz SCKGXXXUARHUJL-JTQLQIEISA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](OC)C2)c(OC)c1 ZINC001141032101 936795491 /nfs/dbraw/zinc/79/54/91/936795491.db2.gz SCKGXXXUARHUJL-JTQLQIEISA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c(OC)c1 ZINC001141027264 936793934 /nfs/dbraw/zinc/79/39/34/936793934.db2.gz SEZUWEHNPNSSGI-SNVBAGLBSA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c(OC)c1 ZINC001141027264 936793937 /nfs/dbraw/zinc/79/39/37/936793937.db2.gz SEZUWEHNPNSSGI-SNVBAGLBSA-N 0 3 267.325 1.224 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C[C@@H]1O ZINC001141141113 936818471 /nfs/dbraw/zinc/81/84/71/936818471.db2.gz UEGDMPGCJLUVCL-DOMZBBRYSA-N 0 3 276.380 1.718 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203876015 925118553 /nfs/dbraw/zinc/11/85/53/925118553.db2.gz ZSJRNRQCACDBLW-PWSUYJOCSA-N 0 3 251.326 1.691 20 10 CDCDHN CCN1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491768 930019559 /nfs/dbraw/zinc/01/95/59/930019559.db2.gz LIIFRTYDBGIVRF-QMMMGPOBSA-N 0 3 268.288 1.061 20 10 CDCDHN CC(=O)[C@H]1CCCCN1Cc1c(O)cc(O)cc1O ZINC001144515598 931880732 /nfs/dbraw/zinc/88/07/32/931880732.db2.gz RTDLTZOFZGCLTA-GFCCVEGCSA-N 0 3 265.309 1.747 20 10 CDCDHN COCCCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203596513 939695217 /nfs/dbraw/zinc/69/52/17/939695217.db2.gz GCDUNNYXSWWJPR-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001204275859 939749770 /nfs/dbraw/zinc/74/97/70/939749770.db2.gz CXUPCGQUCMXTKO-LLVKDONJSA-N 0 3 251.326 1.692 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001204275859 939749773 /nfs/dbraw/zinc/74/97/73/939749773.db2.gz CXUPCGQUCMXTKO-LLVKDONJSA-N 0 3 251.326 1.692 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001204276726 939751051 /nfs/dbraw/zinc/75/10/51/939751051.db2.gz PLBYBIRYUQXBJT-UHFFFAOYSA-N 0 3 265.309 1.437 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204278094 939751205 /nfs/dbraw/zinc/75/12/05/939751205.db2.gz SQYNAHDJRLFZGE-ZDUSSCGKSA-N 0 3 278.352 1.541 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204278094 939751208 /nfs/dbraw/zinc/75/12/08/939751208.db2.gz SQYNAHDJRLFZGE-ZDUSSCGKSA-N 0 3 278.352 1.541 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001204276791 939751318 /nfs/dbraw/zinc/75/13/18/939751318.db2.gz RKBWHKBYFCGZHX-CYBMUJFWSA-N 0 3 279.336 1.214 20 10 CDCDHN Nc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC001524009482 970788632 /nfs/dbraw/zinc/78/86/32/970788632.db2.gz SSCCIFCLDHQMJY-UHFFFAOYSA-N 0 3 287.388 1.906 20 10 CDCDHN O=C(Nc1cn[nH]c1)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441455 942577756 /nfs/dbraw/zinc/57/77/56/942577756.db2.gz KXFWZWJXQSSDMA-CYBMUJFWSA-N 0 3 298.346 1.576 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c([O-])c1 ZINC001277454324 942612505 /nfs/dbraw/zinc/61/25/05/942612505.db2.gz QWYGALRDHFHKIV-JJLQDPRZSA-N 0 3 290.363 1.344 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c([O-])c1 ZINC001277454324 942612509 /nfs/dbraw/zinc/61/25/09/942612509.db2.gz QWYGALRDHFHKIV-JJLQDPRZSA-N 0 3 290.363 1.344 20 10 CDCDHN C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1 ZINC001231449354 942893248 /nfs/dbraw/zinc/89/32/48/942893248.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 0 3 290.363 1.474 20 10 CDCDHN C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1 ZINC001231449354 942893253 /nfs/dbraw/zinc/89/32/53/942893253.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 0 3 290.363 1.474 20 10 CDCDHN C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1 ZINC001231449354 942893259 /nfs/dbraw/zinc/89/32/59/942893259.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 0 3 290.363 1.474 20 10 CDCDHN C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1 ZINC001231449354 942893262 /nfs/dbraw/zinc/89/32/62/942893262.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 0 3 290.363 1.474 20 10 CDCDHN C[C@]1(CO)CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009818 943460384 /nfs/dbraw/zinc/46/03/84/943460384.db2.gz CGPKEWDNLZGBLA-HNNXBMFYSA-N 0 3 281.352 1.788 20 10 CDCDHN CC1(O)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233483051 943591187 /nfs/dbraw/zinc/59/11/87/943591187.db2.gz MGXAQCFOLXSXBR-UHFFFAOYSA-N 0 3 253.298 1.150 20 10 CDCDHN O=C1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]2CCCN12 ZINC001233487926 943595938 /nfs/dbraw/zinc/59/59/38/943595938.db2.gz XCVJJDUBMCQJIC-NSHDSACASA-N 0 3 292.335 1.000 20 10 CDCDHN CCN1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949294 943699296 /nfs/dbraw/zinc/69/92/96/943699296.db2.gz CPAYIBJRGQCKKB-SECBINFHSA-N 0 3 275.308 1.514 20 10 CDCDHN CCN1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949368 943699769 /nfs/dbraw/zinc/69/97/69/943699769.db2.gz FBSMXMHMIOHPAK-UHFFFAOYSA-N 0 3 289.335 1.904 20 10 CDCDHN [O-]c1cc(Cl)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234985624 943995783 /nfs/dbraw/zinc/99/57/83/943995783.db2.gz CVJRSEZGFQNNJO-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN [NH3+]C[C@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001236251267 944437563 /nfs/dbraw/zinc/43/75/63/944437563.db2.gz RHAYSVWKJYMZJZ-SECBINFHSA-N 0 3 256.733 1.674 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])c1 ZINC001236814826 944578292 /nfs/dbraw/zinc/57/82/92/944578292.db2.gz WRPQJFMEBPXHPK-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN COc1cc(C)c(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001236818576 944579813 /nfs/dbraw/zinc/57/98/13/944579813.db2.gz OQHFIPDWCHKPAA-UHFFFAOYSA-N 0 3 263.337 1.787 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(NC(C)=O)CC2)c([O-])c1 ZINC001236819647 944579888 /nfs/dbraw/zinc/57/98/88/944579888.db2.gz YMMCZBPVYCERRA-UHFFFAOYSA-N 0 3 292.379 1.810 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001237484317 944809606 /nfs/dbraw/zinc/80/96/06/944809606.db2.gz BHPBCZDJYOLVBQ-XNRPHZJLSA-N 0 3 277.364 1.672 20 10 CDCDHN CC[NH+](CC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249174178 949444819 /nfs/dbraw/zinc/44/48/19/949444819.db2.gz ZRRHTKFAXYJGIL-UHFFFAOYSA-N 0 3 251.326 1.950 20 10 CDCDHN CCC[N@H+](CCO)Cc1c(C)cc(OC)cc1[O-] ZINC001308663819 956559720 /nfs/dbraw/zinc/55/97/20/956559720.db2.gz UKQYMAGLSKBKBP-UHFFFAOYSA-N 0 3 253.342 1.914 20 10 CDCDHN CCC[N@@H+](CCO)Cc1c(C)cc(OC)cc1[O-] ZINC001308663819 956559725 /nfs/dbraw/zinc/55/97/25/956559725.db2.gz UKQYMAGLSKBKBP-UHFFFAOYSA-N 0 3 253.342 1.914 20 10 CDCDHN CC[C@H]([NH2+]CCCNC(C)=O)c1ccccc1[O-] ZINC000121107452 343221095 /nfs/dbraw/zinc/22/10/95/343221095.db2.gz CLEFKDQQCPMHSJ-ZDUSSCGKSA-N 0 3 250.342 1.959 20 10 CDCDHN COc1cccc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000275684526 366015324 /nfs/dbraw/zinc/01/53/24/366015324.db2.gz AFGXFTYVZHZVNF-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000275684526 366015327 /nfs/dbraw/zinc/01/53/27/366015327.db2.gz AFGXFTYVZHZVNF-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C ZINC000042880320 357082903 /nfs/dbraw/zinc/08/29/03/357082903.db2.gz NIDKRABQYIHSGU-SECBINFHSA-N 0 3 252.314 1.161 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000179665682 357218722 /nfs/dbraw/zinc/21/87/22/357218722.db2.gz QTMVRUYQFGXUHP-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN COc1ccc(O)c(CN2CCC3(CC2)OCCO3)c1 ZINC000179665682 357218724 /nfs/dbraw/zinc/21/87/24/357218724.db2.gz QTMVRUYQFGXUHP-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000180700989 357284523 /nfs/dbraw/zinc/28/45/23/357284523.db2.gz BTRVKVHHTNWENO-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000180700989 357284527 /nfs/dbraw/zinc/28/45/27/357284527.db2.gz BTRVKVHHTNWENO-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOCc1cc(CN[C@H]2C[C@@H](O)C2)ccc1OC ZINC000294837644 199206748 /nfs/dbraw/zinc/20/67/48/199206748.db2.gz MEIRFDGNYCJLNB-OKILXGFUSA-N 0 3 265.353 1.845 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000224939306 359538183 /nfs/dbraw/zinc/53/81/83/359538183.db2.gz OXKUZRYFWCYYIY-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCOCC2CC2)c1 ZINC000224809053 359529219 /nfs/dbraw/zinc/52/92/19/359529219.db2.gz YJVUJWVEVQJDGI-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c([O-])c1O ZINC000267602386 363855143 /nfs/dbraw/zinc/85/51/43/363855143.db2.gz PPOCOMXEMADVGT-SNVBAGLBSA-N 0 3 264.325 1.088 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c([O-])c1O ZINC000267602386 363855147 /nfs/dbraw/zinc/85/51/47/363855147.db2.gz PPOCOMXEMADVGT-SNVBAGLBSA-N 0 3 264.325 1.088 20 10 CDCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@H](C)O1 ZINC000269235412 364165395 /nfs/dbraw/zinc/16/53/95/364165395.db2.gz GMCPIOHTCMTWIQ-PHIMTYICSA-N 0 3 295.358 1.014 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1C ZINC000273612173 365513933 /nfs/dbraw/zinc/51/39/33/365513933.db2.gz WLIINLVSXIQXIO-GJZGRUSLSA-N 0 3 291.439 1.905 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1C ZINC000273524596 365503764 /nfs/dbraw/zinc/50/37/64/365503764.db2.gz UYCICBBZPFLJTO-SWLSCSKDSA-N 0 3 265.353 1.811 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H](CO)CCOC)c([O-])c1 ZINC000282184403 367762767 /nfs/dbraw/zinc/76/27/67/367762767.db2.gz KHIUVYXCVSBIGN-ZDUSSCGKSA-N 0 3 283.368 1.668 20 10 CDCDHN CCN1CCN(Cc2cccc(OC)c2O)[C@@H](C)C1 ZINC000289199482 369531555 /nfs/dbraw/zinc/53/15/55/369531555.db2.gz BGEJDIODZMINOR-LBPRGKRZSA-N 0 3 264.369 1.927 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCO)c1[O-] ZINC000228674918 390937109 /nfs/dbraw/zinc/93/71/09/390937109.db2.gz PGYNXPXPSSIRSR-QMMMGPOBSA-N 0 3 259.733 1.915 20 10 CDCDHN Cc1ccc(C(=O)NCCC[NH+](C)C)c([O-])c1O ZINC000179383745 391203898 /nfs/dbraw/zinc/20/38/98/391203898.db2.gz GOWLVGDWUQWFBY-UHFFFAOYSA-N 0 3 252.314 1.088 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1[O-] ZINC000183543308 391266510 /nfs/dbraw/zinc/26/65/10/391266510.db2.gz ALIGPDPJCLREIP-GWCFXTLKSA-N 0 3 253.367 1.911 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000289565804 263110737 /nfs/dbraw/zinc/11/07/37/263110737.db2.gz ZDNZMTLXHOFBNF-UHFFFAOYSA-N 0 3 280.368 1.213 20 10 CDCDHN C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)ccc1[O-] ZINC000293864268 263151052 /nfs/dbraw/zinc/15/10/52/263151052.db2.gz ZEDPFAZKWGIEJE-JTQLQIEISA-N 0 3 278.331 1.943 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](O)C1)OCO2 ZINC000188797530 264249853 /nfs/dbraw/zinc/24/98/53/264249853.db2.gz OTNZEVLVQHBULE-GXSJLCMTSA-N 0 3 265.309 1.372 20 10 CDCDHN CN(C)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000377030432 268042359 /nfs/dbraw/zinc/04/23/59/268042359.db2.gz OSRKGUOMSNGOBM-UHFFFAOYSA-N 0 3 297.424 1.006 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000093899380 327146027 /nfs/dbraw/zinc/14/60/27/327146027.db2.gz SMFBWAWIONKSAX-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000093899380 327146028 /nfs/dbraw/zinc/14/60/28/327146028.db2.gz SMFBWAWIONKSAX-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000228677061 329059206 /nfs/dbraw/zinc/05/92/06/329059206.db2.gz JPZREIBAWFBOAZ-MRVPVSSYSA-N 0 3 286.759 1.668 20 10 CDCDHN CN1CCC(O)(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000265845955 334688835 /nfs/dbraw/zinc/68/88/35/334688835.db2.gz HJWSTZDUPCVUGX-UHFFFAOYSA-N 0 3 284.787 1.592 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000157128393 521339545 /nfs/dbraw/zinc/33/95/45/521339545.db2.gz KKXVKQZJSKDKCI-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000157128393 521339552 /nfs/dbraw/zinc/33/95/52/521339552.db2.gz KKXVKQZJSKDKCI-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN CC(C)[C@H](C[NH2+]Cc1ccccc1[O-])N1CCN(C)CC1 ZINC000040770058 519815990 /nfs/dbraw/zinc/81/59/90/519815990.db2.gz PPSRMSPKCJAMRD-INIZCTEOSA-N 0 3 291.439 1.754 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000367704028 521147165 /nfs/dbraw/zinc/14/71/65/521147165.db2.gz ONHNPHLXBFGANZ-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000367704028 521147178 /nfs/dbraw/zinc/14/71/78/521147178.db2.gz ONHNPHLXBFGANZ-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN COCCn1cc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000266214495 522094775 /nfs/dbraw/zinc/09/47/75/522094775.db2.gz PKIYKPLLGBGZNE-UHFFFAOYSA-N 0 3 261.325 1.525 20 10 CDCDHN CO[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1OC ZINC000234880504 523738650 /nfs/dbraw/zinc/73/86/50/523738650.db2.gz RFOKSEHFIXBDGV-BETUJISGSA-N 0 3 251.326 1.546 20 10 CDCDHN CO[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1OC ZINC000234880504 523738660 /nfs/dbraw/zinc/73/86/60/523738660.db2.gz RFOKSEHFIXBDGV-BETUJISGSA-N 0 3 251.326 1.546 20 10 CDCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279347651 524378786 /nfs/dbraw/zinc/37/87/86/524378786.db2.gz FVMCMYABCLAEEB-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279347651 524378799 /nfs/dbraw/zinc/37/87/99/524378799.db2.gz FVMCMYABCLAEEB-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1cc(CN(C)CC(C)(CO)CO)ccc1N(C)C ZINC000292731099 524660020 /nfs/dbraw/zinc/66/00/20/524660020.db2.gz GOKGIFVNTVQKGA-UHFFFAOYSA-N 0 3 280.412 1.484 20 10 CDCDHN COc1cccc(CN2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276857533 525950728 /nfs/dbraw/zinc/95/07/28/525950728.db2.gz WEUZTRZVPJEKGU-CYBMUJFWSA-N 0 3 290.363 1.598 20 10 CDCDHN Oc1cc2c(cc1CN1CCN(C3CCC3)CC1)OCO2 ZINC000264907022 526333833 /nfs/dbraw/zinc/33/38/33/526333833.db2.gz DFEXJSJTSBLCHN-UHFFFAOYSA-N 0 3 290.363 1.791 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000770292671 575436905 /nfs/dbraw/zinc/43/69/05/575436905.db2.gz OFFHJPKFARRJGN-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000732273085 575085471 /nfs/dbraw/zinc/08/54/71/575085471.db2.gz VSZVHHUMSUNDAV-UWVGGRQHSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000732273085 575085472 /nfs/dbraw/zinc/08/54/72/575085472.db2.gz VSZVHHUMSUNDAV-UWVGGRQHSA-N 0 3 266.366 1.810 20 10 CDCDHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482022 575207859 /nfs/dbraw/zinc/20/78/59/575207859.db2.gz DJSPVQNEWMPDKU-QWRGUYRKSA-N 0 3 292.383 1.247 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000770292671 575436902 /nfs/dbraw/zinc/43/69/02/575436902.db2.gz OFFHJPKFARRJGN-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CCC[N@H+](CCO)Cc1ccc(OCC)cc1[O-] ZINC000768175541 576262521 /nfs/dbraw/zinc/26/25/21/576262521.db2.gz SYDAPZNPMVPNBZ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCC[N@@H+](CCO)Cc1ccc(OCC)cc1[O-] ZINC000768175541 576262525 /nfs/dbraw/zinc/26/25/25/576262525.db2.gz SYDAPZNPMVPNBZ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439452 576282607 /nfs/dbraw/zinc/28/26/07/576282607.db2.gz HQSIVMTXXQECGN-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN COCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439452 576282609 /nfs/dbraw/zinc/28/26/09/576282609.db2.gz HQSIVMTXXQECGN-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN O=[N+]([O-])c1cc(CNCCO)ccc1N1CCCCC1 ZINC000743503767 576643432 /nfs/dbraw/zinc/64/34/32/576643432.db2.gz UHLVMULXOPTRQY-UHFFFAOYSA-N 0 3 279.340 1.667 20 10 CDCDHN CCN1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000745790134 576742515 /nfs/dbraw/zinc/74/25/15/576742515.db2.gz UYNJCPAPGPFXAR-ZDUSSCGKSA-N 0 3 277.368 1.676 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000747622784 576877453 /nfs/dbraw/zinc/87/74/53/576877453.db2.gz XXWYXGILSMOYKP-ZDUSSCGKSA-N 0 3 269.366 1.358 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCOCCO)c2c1c(F)ccc2[O-] ZINC000756360693 576987240 /nfs/dbraw/zinc/98/72/40/576987240.db2.gz DZJQJJDRAAUMPI-GXSJLCMTSA-N 0 3 269.316 1.678 20 10 CDCDHN C[NH2+]C[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843352287 617327067 /nfs/dbraw/zinc/32/70/67/617327067.db2.gz DCEJWBCFMIMNAW-CYBMUJFWSA-N 0 3 280.343 1.918 20 10 CDCDHN CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc(O)c1[O-] ZINC000890882092 617344868 /nfs/dbraw/zinc/34/48/68/617344868.db2.gz FOGXKZKOQHQKGO-UHFFFAOYSA-N 0 3 280.368 1.758 20 10 CDCDHN COC(=O)[C@H]1[C@@H](CN(C)Cc2ccccc2O)C1(F)F ZINC000893961289 618209562 /nfs/dbraw/zinc/20/95/62/618209562.db2.gz DVPTYCJDCXMGGL-ZYHUDNBSSA-N 0 3 285.290 1.878 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000877499039 618627760 /nfs/dbraw/zinc/62/77/60/618627760.db2.gz KWKZWEGWTGGHAX-QGZVFWFLSA-N 0 3 253.367 1.701 20 10 CDCDHN CC1=NO[C@H](CNCc2cc3c(cc2O)OCO3)C1 ZINC000895309340 619538244 /nfs/dbraw/zinc/53/82/44/619538244.db2.gz AKTMKSWDRAYZHM-JTQLQIEISA-N 0 3 264.281 1.375 20 10 CDCDHN C[C@@H](C(=O)NCc1ccc(O)cc1O)N1CCCCCC1 ZINC000910953396 629116231 /nfs/dbraw/zinc/11/62/31/629116231.db2.gz AIRASMSHCLDIBT-LBPRGKRZSA-N 0 3 292.379 1.979 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(N)=O ZINC000157072280 630582658 /nfs/dbraw/zinc/58/26/58/630582658.db2.gz HJMUKPZGTPFVSG-SNVBAGLBSA-N 0 3 279.340 1.188 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(N)=O ZINC000157072280 630582661 /nfs/dbraw/zinc/58/26/61/630582661.db2.gz HJMUKPZGTPFVSG-SNVBAGLBSA-N 0 3 279.340 1.188 20 10 CDCDHN C[C@H]([NH2+]CCCC[NH3+])c1cc(C(=O)[O-])ccc1[O-] ZINC001609776518 1165076244 /nfs/dbraw/zinc/07/62/44/1165076244.db2.gz BNKKCQOBABROIG-VIFPVBQESA-N 0 3 252.314 1.480 20 10 CDCDHN COC[C@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC000234801191 1178225345 /nfs/dbraw/zinc/22/53/45/1178225345.db2.gz HRPMZVMVWVSBHL-AWEZNQCLSA-N 0 3 264.369 1.384 20 10 CDCDHN C[NH2+][C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843344684 736348039 /nfs/dbraw/zinc/34/80/39/736348039.db2.gz QMQSJFPSRDMQCA-LBPRGKRZSA-N 0 3 266.316 1.528 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844300278 736422579 /nfs/dbraw/zinc/42/25/79/736422579.db2.gz IQRUSIGNHYPUMT-ZDUSSCGKSA-N 0 3 262.353 1.883 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844300278 736422591 /nfs/dbraw/zinc/42/25/91/736422591.db2.gz IQRUSIGNHYPUMT-ZDUSSCGKSA-N 0 3 262.353 1.883 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](CO)C2)cc1F ZINC000864054626 736590105 /nfs/dbraw/zinc/59/01/05/736590105.db2.gz XBCVECIZYHJYCZ-JGZJWPJOSA-N 0 3 270.323 1.891 20 10 CDCDHN Cc1ccc(C[NH2+]CCCNC(=O)C(C)C)c([O-])c1 ZINC000877119721 736641729 /nfs/dbraw/zinc/64/17/29/736641729.db2.gz ATBZBLYFLRRLHG-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000876768490 736951324 /nfs/dbraw/zinc/95/13/24/736951324.db2.gz WIDYZQYBANPBSQ-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000876768490 736951326 /nfs/dbraw/zinc/95/13/26/736951326.db2.gz WIDYZQYBANPBSQ-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000877122171 737089953 /nfs/dbraw/zinc/08/99/53/737089953.db2.gz KHXZLEHGAXRILM-UHFFFAOYSA-N 0 3 283.393 1.615 20 10 CDCDHN CCOc1ccc(C[NH2+]CCc2cn[nH]c2)c([O-])c1 ZINC000810166049 737134395 /nfs/dbraw/zinc/13/43/95/737134395.db2.gz KOTMXHOTCSFPNC-UHFFFAOYSA-N 0 3 261.325 1.846 20 10 CDCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC(=O)N1 ZINC000834907708 737191732 /nfs/dbraw/zinc/19/17/32/737191732.db2.gz AJOLTMVIWJCHJA-ABAIWWIYSA-N 0 3 260.337 1.638 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccccc1[O-] ZINC000879648762 737367717 /nfs/dbraw/zinc/36/77/17/737367717.db2.gz CSQOIHCSMPWWDU-HZSPNIEDSA-N 0 3 295.379 1.599 20 10 CDCDHN COc1cccc(CN(CC(N)=O)C2CCCC2)c1O ZINC000132988835 737438986 /nfs/dbraw/zinc/43/89/86/737438986.db2.gz DGSAPYSXKIGDJS-UHFFFAOYSA-N 0 3 278.352 1.631 20 10 CDCDHN COCC(COC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000388453061 737460586 /nfs/dbraw/zinc/46/05/86/737460586.db2.gz ZDFHYNQIMPKAJG-GFCCVEGCSA-N 0 3 251.326 1.631 20 10 CDCDHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([O-])cs1 ZINC000830588090 737549421 /nfs/dbraw/zinc/54/94/21/737549421.db2.gz GQVAZRTWRZGMAS-LLVKDONJSA-N 0 3 284.381 1.030 20 10 CDCDHN O=C(NC[C@@H](O)CN1CCCCC1)C1=CC(=O)CS1 ZINC000830588090 737549433 /nfs/dbraw/zinc/54/94/33/737549433.db2.gz GQVAZRTWRZGMAS-LLVKDONJSA-N 0 3 284.381 1.030 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)[C@H](C)O ZINC000930351311 737683175 /nfs/dbraw/zinc/68/31/75/737683175.db2.gz OKICJDULLNWDKS-WFASDCNBSA-N 0 3 267.369 1.736 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)[C@H](C)O ZINC000930351311 737683184 /nfs/dbraw/zinc/68/31/84/737683184.db2.gz OKICJDULLNWDKS-WFASDCNBSA-N 0 3 267.369 1.736 20 10 CDCDHN CCc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000709453359 737990419 /nfs/dbraw/zinc/99/04/19/737990419.db2.gz CHRUNABUCGCAKK-GFCCVEGCSA-N 0 3 269.366 1.231 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1[O-] ZINC000840976973 738048778 /nfs/dbraw/zinc/04/87/78/738048778.db2.gz ZYMROSLQCXQZKM-AAEUAGOBSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1[O-] ZINC000840976973 738048781 /nfs/dbraw/zinc/04/87/81/738048781.db2.gz ZYMROSLQCXQZKM-AAEUAGOBSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](O)[C@H](CO)C2)c1O ZINC000840976973 738048783 /nfs/dbraw/zinc/04/87/83/738048783.db2.gz ZYMROSLQCXQZKM-AAEUAGOBSA-N 0 3 285.771 1.529 20 10 CDCDHN CCc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC000848884402 738089164 /nfs/dbraw/zinc/08/91/64/738089164.db2.gz IBWCNMBRZJPKDI-UHFFFAOYSA-N 0 3 292.423 1.843 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](OC)C1CC1 ZINC000815152927 738781548 /nfs/dbraw/zinc/78/15/48/738781548.db2.gz AOPGICJLAHFFBM-AWEZNQCLSA-N 0 3 251.326 1.915 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000788971985 738840623 /nfs/dbraw/zinc/84/06/23/738840623.db2.gz STJDNAGWNGKDCW-QWRGUYRKSA-N 0 3 251.326 1.651 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816666298 738882180 /nfs/dbraw/zinc/88/21/80/738882180.db2.gz JOUHYNFRHLETKZ-CVEARBPZSA-N 0 3 295.354 1.941 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN(C)CCOCCO)c([O-])c1 ZINC000883350383 736750094 /nfs/dbraw/zinc/75/00/94/736750094.db2.gz FBOOCVRSRRVYGL-AWEZNQCLSA-N 0 3 296.411 1.292 20 10 CDCDHN CCc1cccc(CN2CC(C)(C(=O)OC)C2)c1O ZINC000848918351 736841976 /nfs/dbraw/zinc/84/19/76/736841976.db2.gz XCLBSYJTMYVAER-UHFFFAOYSA-N 0 3 263.337 1.950 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000876782211 737243691 /nfs/dbraw/zinc/24/36/91/737243691.db2.gz UUZSTWCEKQDAPV-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000876782211 737243701 /nfs/dbraw/zinc/24/37/01/737243701.db2.gz UUZSTWCEKQDAPV-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN C[C@@H](NCC(=O)N1CCC1)c1ccc(N(C)C)cc1 ZINC000775836071 737603520 /nfs/dbraw/zinc/60/35/20/737603520.db2.gz YHIDEMYLSGBICD-GFCCVEGCSA-N 0 3 261.369 1.636 20 10 CDCDHN NC(=O)CN(Cc1cc(F)ccc1O)C1CCCC1 ZINC000226562197 737715191 /nfs/dbraw/zinc/71/51/91/737715191.db2.gz BZDYPHYYZAKWRC-UHFFFAOYSA-N 0 3 266.316 1.761 20 10 CDCDHN NC(=O)C[N@H+](Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000226562197 737715196 /nfs/dbraw/zinc/71/51/96/737715196.db2.gz BZDYPHYYZAKWRC-UHFFFAOYSA-N 0 3 266.316 1.761 20 10 CDCDHN NC(=O)C[N@@H+](Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000226562197 737715199 /nfs/dbraw/zinc/71/51/99/737715199.db2.gz BZDYPHYYZAKWRC-UHFFFAOYSA-N 0 3 266.316 1.761 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000129744636 737719774 /nfs/dbraw/zinc/71/97/74/737719774.db2.gz DYZJXMDYRUXNKN-CYBMUJFWSA-N 0 3 295.358 1.016 20 10 CDCDHN CCN1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000722356439 737852684 /nfs/dbraw/zinc/85/26/84/737852684.db2.gz PPGMXVSZTYNZIS-STQMWFEESA-N 0 3 274.364 1.980 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1COC(C)(C)O1 ZINC000851840419 738291079 /nfs/dbraw/zinc/29/10/79/738291079.db2.gz GKHFHFINSYTRJM-LBPRGKRZSA-N 0 3 251.326 1.976 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1COC(C)(C)O1 ZINC000851840419 738291094 /nfs/dbraw/zinc/29/10/94/738291094.db2.gz GKHFHFINSYTRJM-LBPRGKRZSA-N 0 3 251.326 1.976 20 10 CDCDHN c1nc(CNCc2ccc(N3CCOCC3)cc2)c[nH]1 ZINC000112342393 738318354 /nfs/dbraw/zinc/31/83/54/738318354.db2.gz QVPXDQMZXCGANK-UHFFFAOYSA-N 0 3 272.352 1.536 20 10 CDCDHN c1ncc(CNCc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000112342393 738318363 /nfs/dbraw/zinc/31/83/63/738318363.db2.gz QVPXDQMZXCGANK-UHFFFAOYSA-N 0 3 272.352 1.536 20 10 CDCDHN Cc1[nH]cnc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827946698 739201379 /nfs/dbraw/zinc/20/13/79/739201379.db2.gz PCJGARHQSBUTRI-SECBINFHSA-N 0 3 259.309 1.844 20 10 CDCDHN CN1CCN(c2ccc(CNCc3ccno3)cc2)CC1 ZINC000843403328 739216085 /nfs/dbraw/zinc/21/60/85/739216085.db2.gz XSYIIZRYDBVHPL-UHFFFAOYSA-N 0 3 286.379 1.716 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877602624 739223739 /nfs/dbraw/zinc/22/37/39/739223739.db2.gz MQIINOOOOZOQIJ-DGCLKSJQSA-N 0 3 263.337 1.942 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877602624 739223743 /nfs/dbraw/zinc/22/37/43/739223743.db2.gz MQIINOOOOZOQIJ-DGCLKSJQSA-N 0 3 263.337 1.942 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c([O-])c1 ZINC000877090652 1165973632 /nfs/dbraw/zinc/97/36/32/1165973632.db2.gz WXBLEQULVJAUOU-APPDUMDISA-N 0 3 255.383 1.947 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173733863 912755654 /nfs/dbraw/zinc/75/56/54/912755654.db2.gz KJMDNUQTUBODOL-CHWSQXEVSA-N 0 3 273.340 1.652 20 10 CDCDHN Cc1cnccc1Nc1cccc(C(=O)N(C)C)c1O ZINC001174538500 913199352 /nfs/dbraw/zinc/19/93/52/913199352.db2.gz HXKLOKRYLLTSGS-UHFFFAOYSA-N 0 3 271.320 1.963 20 10 CDCDHN CC1([NH3+])CN(Cc2c([O-])cccc2Br)C1 ZINC001204979654 905464396 /nfs/dbraw/zinc/46/43/96/905464396.db2.gz HVUIKTXNIHRRRC-UHFFFAOYSA-N 0 3 271.158 1.688 20 10 CDCDHN CN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272987448 921306118 /nfs/dbraw/zinc/30/61/18/921306118.db2.gz BVUMOJNKGQMPGI-OAHLLOKOSA-N 0 3 276.336 1.152 20 10 CDCDHN CN1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272987448 921306120 /nfs/dbraw/zinc/30/61/20/921306120.db2.gz BVUMOJNKGQMPGI-OAHLLOKOSA-N 0 3 276.336 1.152 20 10 CDCDHN O=C1CC[C@H]2C[C@H]([N@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181788 911446998 /nfs/dbraw/zinc/44/69/98/911446998.db2.gz HZXBTUBZHGQAAC-KGLIPLIRSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1CC[C@H]2C[C@H]([N@@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181788 911447005 /nfs/dbraw/zinc/44/70/05/911447005.db2.gz HZXBTUBZHGQAAC-KGLIPLIRSA-N 0 3 286.375 1.904 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236290469 914891234 /nfs/dbraw/zinc/89/12/34/914891234.db2.gz MJZHUTOLBMDNOT-CMPLNLGQSA-N 0 3 252.745 1.758 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236290486 914891331 /nfs/dbraw/zinc/89/13/31/914891331.db2.gz MJZHUTOLBMDNOT-PWSUYJOCSA-N 0 3 252.745 1.758 20 10 CDCDHN Cc1cc(C)c(CNC(=O)C2(O)CCN(C)CC2)c(O)c1 ZINC001182036072 917603317 /nfs/dbraw/zinc/60/33/17/917603317.db2.gz KVFLLJGAUOJYEY-UHFFFAOYSA-N 0 3 292.379 1.082 20 10 CDCDHN C[NH+](C)CCCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138128400 936475366 /nfs/dbraw/zinc/47/53/66/936475366.db2.gz HOBJCGZLQIPJHN-UHFFFAOYSA-N 0 3 295.402 1.601 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001203620755 919678043 /nfs/dbraw/zinc/67/80/43/919678043.db2.gz HNKRPCIUMWYJQZ-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001203620755 919678055 /nfs/dbraw/zinc/67/80/55/919678055.db2.gz HNKRPCIUMWYJQZ-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CNC[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853249562 927992442 /nfs/dbraw/zinc/99/24/42/927992442.db2.gz REVFGRPCOIEMKK-ZETCQYMHSA-N 0 3 273.720 1.651 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857061089 928658340 /nfs/dbraw/zinc/65/83/40/928658340.db2.gz JMZVIMAIWYSTDM-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857061089 928658347 /nfs/dbraw/zinc/65/83/47/928658347.db2.gz JMZVIMAIWYSTDM-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493192 930563878 /nfs/dbraw/zinc/56/38/78/930563878.db2.gz ZTXDYQIXWWSLIX-SNVBAGLBSA-N 0 3 280.368 1.794 20 10 CDCDHN CC(=O)[C@@H]1CCCN1Cc1c(O)cc(O)cc1O ZINC001144520688 931871547 /nfs/dbraw/zinc/87/15/47/931871547.db2.gz YTNCRAZJBXDZQH-NSHDSACASA-N 0 3 251.282 1.357 20 10 CDCDHN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276360500 935059411 /nfs/dbraw/zinc/05/94/11/935059411.db2.gz UQFWYCNBEYBIJG-BETUJISGSA-N 0 3 293.386 1.351 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1[O-] ZINC001203585494 939694382 /nfs/dbraw/zinc/69/43/82/939694382.db2.gz OBHFLDBUIXHXIP-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c1[O-] ZINC001203585494 939694383 /nfs/dbraw/zinc/69/43/83/939694383.db2.gz OBHFLDBUIXHXIP-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(CN2CCc3nncn3CC2)c1O ZINC001203590042 939694745 /nfs/dbraw/zinc/69/47/45/939694745.db2.gz RPOSLZXIWPUJET-UHFFFAOYSA-N 0 3 274.324 1.051 20 10 CDCDHN COc1ccc(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001203628600 939697994 /nfs/dbraw/zinc/69/79/94/939697994.db2.gz DLUKYQIHFMPWNL-UHFFFAOYSA-N 0 3 266.341 1.311 20 10 CDCDHN COc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001203628600 939697995 /nfs/dbraw/zinc/69/79/95/939697995.db2.gz DLUKYQIHFMPWNL-UHFFFAOYSA-N 0 3 266.341 1.311 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001204276758 939750849 /nfs/dbraw/zinc/75/08/49/939750849.db2.gz QCSJFCGQJSDZCG-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001204276758 939750852 /nfs/dbraw/zinc/75/08/52/939750852.db2.gz QCSJFCGQJSDZCG-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000305201975 940872501 /nfs/dbraw/zinc/87/25/01/940872501.db2.gz NBFRQMQPXOTWLO-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000305201975 940872506 /nfs/dbraw/zinc/87/25/06/940872506.db2.gz NBFRQMQPXOTWLO-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cc(C)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001276806307 941361201 /nfs/dbraw/zinc/36/12/01/941361201.db2.gz LOMSMFRVMGDNPZ-HOCLYGCPSA-N 0 3 292.379 1.224 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193150 942157583 /nfs/dbraw/zinc/15/75/83/942157583.db2.gz YVZDJQGYQQYEOK-XJKSGUPXSA-N 0 3 290.363 1.575 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193150 942157585 /nfs/dbraw/zinc/15/75/85/942157585.db2.gz YVZDJQGYQQYEOK-XJKSGUPXSA-N 0 3 290.363 1.575 20 10 CDCDHN Cc1cc(CN2C[C@@H]3[C@H](C2)OCCN3C)ccc1N(C)C ZINC000815063106 942408606 /nfs/dbraw/zinc/40/86/06/942408606.db2.gz GKPFQLIWJXCKPY-SJORKVTESA-N 0 3 289.423 1.576 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1C ZINC001231849466 943029569 /nfs/dbraw/zinc/02/95/69/943029569.db2.gz ULLHHWMXPFDZNE-BXUZGUMPSA-N 0 3 264.369 1.716 20 10 CDCDHN [O-]c1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)ccc2ccccc21 ZINC001236288848 944447763 /nfs/dbraw/zinc/44/77/63/944447763.db2.gz JCDYEMOEMOPJRJ-ZFWWWQNUSA-N 0 3 254.333 1.949 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001236826447 944585346 /nfs/dbraw/zinc/58/53/46/944585346.db2.gz JTZQWOQEKAMHSW-HOTGVXAUSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001236826447 944585350 /nfs/dbraw/zinc/58/53/50/944585350.db2.gz JTZQWOQEKAMHSW-HOTGVXAUSA-N 0 3 287.359 1.721 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001237049535 944646819 /nfs/dbraw/zinc/64/68/19/944646819.db2.gz HKPKMNZZSWOEBD-JKSUJKDBSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001237049535 944646821 /nfs/dbraw/zinc/64/68/21/944646821.db2.gz HKPKMNZZSWOEBD-JKSUJKDBSA-N 0 3 295.379 1.356 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254848549 947626246 /nfs/dbraw/zinc/62/62/46/947626246.db2.gz PTYFAIPVKIYKLZ-CYBMUJFWSA-N 0 3 262.353 1.672 20 10 CDCDHN O=C1C[C@H]2CC([NH2+]Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001254923167 947655325 /nfs/dbraw/zinc/65/53/25/947655325.db2.gz BGNWYELXLABSMP-GHMZBOCLSA-N 0 3 261.321 1.945 20 10 CDCDHN CN1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989401 956145283 /nfs/dbraw/zinc/14/52/83/956145283.db2.gz OKVXOGLRRHXQCU-VSKVDJIOSA-N 0 3 290.363 1.567 20 10 CDCDHN CN1CCN(Cc2cc(F)c(F)cc2[O-])CC[N@H+](C)CC1 ZINC001308954061 956602306 /nfs/dbraw/zinc/60/23/06/956602306.db2.gz ILXZQVSVSMGANB-UHFFFAOYSA-N 0 3 299.365 1.350 20 10 CDCDHN CN1CCN(Cc2cc(F)c(F)cc2[O-])CC[N@@H+](C)CC1 ZINC001308954061 956602310 /nfs/dbraw/zinc/60/23/10/956602310.db2.gz ILXZQVSVSMGANB-UHFFFAOYSA-N 0 3 299.365 1.350 20 10 CDCDHN COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1[O-] ZINC001578797898 1172013504 /nfs/dbraw/zinc/01/35/04/1172013504.db2.gz UKQAZFCEZJJMMN-GFCCVEGCSA-N 0 3 298.770 1.383 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000036794785 356884115 /nfs/dbraw/zinc/88/41/15/356884115.db2.gz SYKQWUHCGZPJKY-CMPLNLGQSA-N 0 3 250.342 1.958 20 10 CDCDHN COc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193682019 358315404 /nfs/dbraw/zinc/31/54/04/358315404.db2.gz REFZCPCITHNIOL-JOYOIKCWSA-N 0 3 264.325 1.015 20 10 CDCDHN C[C@H](C[S@@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000168150277 364137506 /nfs/dbraw/zinc/13/75/06/364137506.db2.gz FTBMVDZBDRUYNW-QGHHPUGFSA-N 0 3 253.367 1.478 20 10 CDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272843 364171795 /nfs/dbraw/zinc/17/17/95/364171795.db2.gz UJKLMLGARXONGB-NHYWBVRUSA-N 0 3 273.380 1.410 20 10 CDCDHN CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000269442308 364195750 /nfs/dbraw/zinc/19/57/50/364195750.db2.gz GBEUPKKMHJQHLD-GFCCVEGCSA-N 0 3 298.408 1.153 20 10 CDCDHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000269442308 364195755 /nfs/dbraw/zinc/19/57/55/364195755.db2.gz GBEUPKKMHJQHLD-GFCCVEGCSA-N 0 3 298.408 1.153 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1[O-] ZINC000272872623 365427080 /nfs/dbraw/zinc/42/70/80/365427080.db2.gz OYQFVJOKDYIGBA-JSGCOSHPSA-N 0 3 291.395 1.383 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278513 368510318 /nfs/dbraw/zinc/51/03/18/368510318.db2.gz HKNBGAHIQMJJRL-RYUDHWBXSA-N 0 3 282.359 1.418 20 10 CDCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN1CCOCC1 ZINC000297540416 372000962 /nfs/dbraw/zinc/00/09/62/372000962.db2.gz FBCUDQCWBSYTNT-HIFRSBDPSA-N 0 3 290.407 1.937 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC2(O)CCC2)c1 ZINC000285371982 377762069 /nfs/dbraw/zinc/76/20/69/377762069.db2.gz ZJSHGASFRGEHFU-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000186299870 378846915 /nfs/dbraw/zinc/84/69/15/378846915.db2.gz MRFQEZFFZWZTEZ-JSGCOSHPSA-N 0 3 251.326 1.584 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186203520 262084382 /nfs/dbraw/zinc/08/43/82/262084382.db2.gz ANBAXSPDMFCXHQ-GXSJLCMTSA-N 0 3 257.305 1.579 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000118963679 390837567 /nfs/dbraw/zinc/83/75/67/390837567.db2.gz PEVYFVMLIAIDRZ-JTQLQIEISA-N 0 3 292.335 1.079 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000118963679 390837570 /nfs/dbraw/zinc/83/75/70/390837570.db2.gz PEVYFVMLIAIDRZ-JTQLQIEISA-N 0 3 292.335 1.079 20 10 CDCDHN C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)ccc1[O-] ZINC000168734989 390937544 /nfs/dbraw/zinc/93/75/44/390937544.db2.gz XQZKUXXHWAIKRJ-VIFPVBQESA-N 0 3 266.316 1.708 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122746764 390906415 /nfs/dbraw/zinc/90/64/15/390906415.db2.gz LUDWWFMWMFWPOV-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN O=C1NCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000183253233 391258251 /nfs/dbraw/zinc/25/82/51/391258251.db2.gz PGAAZTWVJUDKME-UHFFFAOYSA-N 0 3 293.342 1.521 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1[O-] ZINC000183543273 391266703 /nfs/dbraw/zinc/26/67/03/391266703.db2.gz ALIGPDPJCLREIP-GXFFZTMASA-N 0 3 253.367 1.911 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1[O-] ZINC000158135171 392422469 /nfs/dbraw/zinc/42/24/69/392422469.db2.gz ZIMBLQLNGZYLDE-HUUCEWRRSA-N 0 3 276.380 1.653 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000020125223 171008041 /nfs/dbraw/zinc/00/80/41/171008041.db2.gz BQKVJZKVLZHZSV-LLVKDONJSA-N 0 3 250.342 1.815 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)c([O-])c1 ZINC000038047359 174056402 /nfs/dbraw/zinc/05/64/02/174056402.db2.gz IQOSRQDXWPYXKE-NSHDSACASA-N 0 3 271.382 1.786 20 10 CDCDHN CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1[O-] ZINC000038047107 174057268 /nfs/dbraw/zinc/05/72/68/174057268.db2.gz FWLPMGPAPIFRDQ-LBPRGKRZSA-N 0 3 271.382 1.868 20 10 CDCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155651624 261105496 /nfs/dbraw/zinc/10/54/96/261105496.db2.gz IAUFGDWCSUCWBM-ZDUSSCGKSA-N 0 3 262.353 1.740 20 10 CDCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155651624 261105497 /nfs/dbraw/zinc/10/54/97/261105497.db2.gz IAUFGDWCSUCWBM-ZDUSSCGKSA-N 0 3 262.353 1.740 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000183628423 261983359 /nfs/dbraw/zinc/98/33/59/261983359.db2.gz OFLQCWSQNIABOP-RYUDHWBXSA-N 0 3 298.408 1.324 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186596907 262101960 /nfs/dbraw/zinc/10/19/60/262101960.db2.gz RCMIHGAOSVCLCZ-OAHLLOKOSA-N 0 3 291.439 1.816 20 10 CDCDHN CC(=O)NCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000184921899 262300212 /nfs/dbraw/zinc/30/02/12/262300212.db2.gz AUNKUQGKSQKAKW-LLVKDONJSA-N 0 3 250.342 1.877 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274929422 263031555 /nfs/dbraw/zinc/03/15/55/263031555.db2.gz NVYDILAIEODKFM-IRXDYDNUSA-N 0 3 299.370 1.987 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274929422 263031556 /nfs/dbraw/zinc/03/15/56/263031556.db2.gz NVYDILAIEODKFM-IRXDYDNUSA-N 0 3 299.370 1.987 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H](C)OC)cc1OC ZINC000284977033 263088870 /nfs/dbraw/zinc/08/88/70/263088870.db2.gz BOGQWIRGDJAMSB-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@@H](C)OC)cc1OC ZINC000284977033 263088871 /nfs/dbraw/zinc/08/88/71/263088871.db2.gz BOGQWIRGDJAMSB-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@@H](C)OC)cc1OC ZINC000284977033 263088872 /nfs/dbraw/zinc/08/88/72/263088872.db2.gz BOGQWIRGDJAMSB-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000182210630 329240775 /nfs/dbraw/zinc/24/07/75/329240775.db2.gz KPNUJJNRLLRMLF-AWEZNQCLSA-N 0 3 253.342 1.578 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c([O-])c1 ZINC000230994654 333323453 /nfs/dbraw/zinc/32/34/53/333323453.db2.gz MEJGBJWKZDRMFE-NSHDSACASA-N 0 3 286.397 1.243 20 10 CDCDHN CCN(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000186820051 520175062 /nfs/dbraw/zinc/17/50/62/520175062.db2.gz JXFUMOKXAIBPNM-GFCCVEGCSA-N 0 3 263.385 1.882 20 10 CDCDHN CC[N@H+](CCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000187063039 521071087 /nfs/dbraw/zinc/07/10/87/521071087.db2.gz XXBXJOPYBPIEMW-UHFFFAOYSA-N 0 3 264.325 1.312 20 10 CDCDHN CC[N@@H+](CCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000187063039 521071100 /nfs/dbraw/zinc/07/11/00/521071100.db2.gz XXBXJOPYBPIEMW-UHFFFAOYSA-N 0 3 264.325 1.312 20 10 CDCDHN CCC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000236808031 521109066 /nfs/dbraw/zinc/10/90/66/521109066.db2.gz ARULXXNSZWQLKP-LBPRGKRZSA-N 0 3 277.368 1.605 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CC(C)(CO)CO)c1 ZINC000093502857 521141183 /nfs/dbraw/zinc/14/11/83/521141183.db2.gz XDUPWUKROKEDLY-UHFFFAOYSA-N 0 3 283.368 1.214 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000278552718 521653226 /nfs/dbraw/zinc/65/32/26/521653226.db2.gz VXEJSTYYCFCSEF-XIKARTHZSA-N 0 3 265.353 1.973 20 10 CDCDHN COCCn1cc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000266177105 522095875 /nfs/dbraw/zinc/09/58/75/522095875.db2.gz DZJVJOQHSYISDG-UHFFFAOYSA-N 0 3 288.395 1.885 20 10 CDCDHN CN(CCOCC1CC1)Cc1cc2c(cc1O)OCO2 ZINC000088507650 522891968 /nfs/dbraw/zinc/89/19/68/522891968.db2.gz YDQXTMQOCBFGTR-UHFFFAOYSA-N 0 3 279.336 1.979 20 10 CDCDHN CO[C@H]1COC[C@@H]1NCc1cc(C)c(C)cc1O ZINC000289424761 524010504 /nfs/dbraw/zinc/01/05/04/524010504.db2.gz CADNPQJSBRLOQJ-JSGCOSHPSA-N 0 3 251.326 1.512 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000289424761 524010508 /nfs/dbraw/zinc/01/05/08/524010508.db2.gz CADNPQJSBRLOQJ-JSGCOSHPSA-N 0 3 251.326 1.512 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000228099376 524089679 /nfs/dbraw/zinc/08/96/79/524089679.db2.gz JSEGDQPVJBTMIB-AWEZNQCLSA-N 0 3 266.316 1.489 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000228099376 524089681 /nfs/dbraw/zinc/08/96/81/524089681.db2.gz JSEGDQPVJBTMIB-AWEZNQCLSA-N 0 3 266.316 1.489 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C2(CO)CCOCC2)cc1C ZINC000266162884 525321025 /nfs/dbraw/zinc/32/10/25/525321025.db2.gz OEGSZUQXOAZFNT-UHFFFAOYSA-N 0 3 265.353 1.640 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000290110089 525322552 /nfs/dbraw/zinc/32/25/52/525322552.db2.gz LCGOKCDHOGDOQB-ZDUSSCGKSA-N 0 3 297.420 1.923 20 10 CDCDHN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000725849691 574444793 /nfs/dbraw/zinc/44/47/93/574444793.db2.gz UZHYUDCHJPUCKE-JTQLQIEISA-N 0 3 287.319 1.632 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCCn2cncn2)c1 ZINC000728781876 574645550 /nfs/dbraw/zinc/64/55/50/574645550.db2.gz FQBFOXBAEZQBLG-UHFFFAOYSA-N 0 3 276.340 1.562 20 10 CDCDHN CCOC(=O)C1(C[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000770665644 575483595 /nfs/dbraw/zinc/48/35/95/575483595.db2.gz NDMCNGVKQWZWEO-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c1 ZINC000765794795 576056247 /nfs/dbraw/zinc/05/62/47/576056247.db2.gz FQHMYQANNFTFEM-KGLIPLIRSA-N 0 3 292.379 1.795 20 10 CDCDHN COc1cc(O)c(CN[C@@H](CO)CC(F)F)cc1OC ZINC000763521115 576740526 /nfs/dbraw/zinc/74/05/26/576740526.db2.gz NPCXGSPILIBTKT-SECBINFHSA-N 0 3 291.294 1.515 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)CC(F)F)cc1OC ZINC000763521115 576740528 /nfs/dbraw/zinc/74/05/28/576740528.db2.gz NPCXGSPILIBTKT-SECBINFHSA-N 0 3 291.294 1.515 20 10 CDCDHN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748373446 576909367 /nfs/dbraw/zinc/90/93/67/576909367.db2.gz TWVWYUVDNSDIMV-JTQLQIEISA-N 0 3 268.382 1.868 20 10 CDCDHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748373446 576909369 /nfs/dbraw/zinc/90/93/69/576909369.db2.gz TWVWYUVDNSDIMV-JTQLQIEISA-N 0 3 268.382 1.868 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000754891005 576921182 /nfs/dbraw/zinc/92/11/82/576921182.db2.gz SAPGQDXDJQMPDK-GFCCVEGCSA-N 0 3 299.392 1.458 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000756608264 576997238 /nfs/dbraw/zinc/99/72/38/576997238.db2.gz AATSQFSKTIZDRU-IAQYHMDHSA-N 0 3 275.352 1.818 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H](C)OC ZINC000812304518 617278039 /nfs/dbraw/zinc/27/80/39/617278039.db2.gz XEOOXXDQBHSILJ-YGRLFVJLSA-N 0 3 281.352 1.675 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H](C)OC ZINC000812304518 617278041 /nfs/dbraw/zinc/27/80/41/617278041.db2.gz XEOOXXDQBHSILJ-YGRLFVJLSA-N 0 3 281.352 1.675 20 10 CDCDHN CCN1CCN(Cc2ccc(OC)c(OC)c2O)[C@@H](C)C1 ZINC000894405804 618863108 /nfs/dbraw/zinc/86/31/08/618863108.db2.gz MITATDZWNSKBTB-LBPRGKRZSA-N 0 3 294.395 1.935 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NC(C)C)c1O ZINC000895001558 619188604 /nfs/dbraw/zinc/18/86/04/619188604.db2.gz PWJYEWZJRYRNFP-NSHDSACASA-N 0 3 280.368 1.712 20 10 CDCDHN CCOC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000896962309 620325930 /nfs/dbraw/zinc/32/59/30/620325930.db2.gz KSDYPGNESDTDBI-JTQLQIEISA-N 0 3 293.319 1.506 20 10 CDCDHN CCOc1cccc(CN2CCC[C@@H](NC(C)=O)C2)c1O ZINC000153863117 631921507 /nfs/dbraw/zinc/92/15/07/631921507.db2.gz IKGJIZDNYBLQJY-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C)nn1 ZINC000840976145 739438317 /nfs/dbraw/zinc/43/83/17/739438317.db2.gz MJHAJHGSKDXIGR-ZDUSSCGKSA-N 0 3 287.411 1.910 20 10 CDCDHN COc1ccc(O)c(CN2CCC(O)(C(F)F)CC2)c1 ZINC000779207555 739691498 /nfs/dbraw/zinc/69/14/98/739691498.db2.gz ZOSKFOOPYJOGOW-UHFFFAOYSA-N 0 3 287.306 1.993 20 10 CDCDHN CCN1C[C@@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000391596504 739822941 /nfs/dbraw/zinc/82/29/41/739822941.db2.gz HXCVRRXEUFZOMT-ZDUSSCGKSA-N 0 3 261.369 1.463 20 10 CDCDHN Cc1cccc(O)c1CN1CCN([C@H]2CCOC2)CC1 ZINC000877627039 739861618 /nfs/dbraw/zinc/86/16/18/739861618.db2.gz HKPAGRATECEOIG-AWEZNQCLSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1cccc(CN2CCC(NS(C)(=O)=O)CC2)c1O ZINC000705499867 739870111 /nfs/dbraw/zinc/87/01/11/739870111.db2.gz ISDGOIBWVKKFMO-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000877088737 739998064 /nfs/dbraw/zinc/99/80/64/739998064.db2.gz IBCUDVSDDFADQQ-LLVKDONJSA-N 0 3 271.382 1.613 20 10 CDCDHN C[N@H+]1C[C@H]2CN(C(=O)c3cc([O-])cs3)C[C@H]2C1 ZINC000834655361 740067108 /nfs/dbraw/zinc/06/71/08/740067108.db2.gz ALRZQFBMDPPMSQ-DTORHVGOSA-N 0 3 252.339 1.087 20 10 CDCDHN C[N@@H+]1C[C@H]2CN(C(=O)c3cc([O-])cs3)C[C@H]2C1 ZINC000834655361 740067114 /nfs/dbraw/zinc/06/71/14/740067114.db2.gz ALRZQFBMDPPMSQ-DTORHVGOSA-N 0 3 252.339 1.087 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c([O-])c1 ZINC000877100213 740070543 /nfs/dbraw/zinc/07/05/43/740070543.db2.gz QSVPCJHKSQZWOC-SWLSCSKDSA-N 0 3 264.369 1.509 20 10 CDCDHN C[C@H](NC/C=C/CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509143 740185493 /nfs/dbraw/zinc/18/54/93/740185493.db2.gz PPFATYCEVFCJDJ-IBUXWKBASA-N 0 3 294.370 1.861 20 10 CDCDHN C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790941314 740500015 /nfs/dbraw/zinc/50/00/15/740500015.db2.gz VVMLOXDBDLNOOG-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790941314 740500020 /nfs/dbraw/zinc/50/00/20/740500020.db2.gz VVMLOXDBDLNOOG-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1[O-] ZINC000842474590 740513807 /nfs/dbraw/zinc/51/38/07/740513807.db2.gz VRNQDCXRTLIQSH-VHSXEESVSA-N 0 3 280.343 1.916 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193824 740829085 /nfs/dbraw/zinc/82/90/85/740829085.db2.gz QOQIYRLJDMVRQO-HNNXBMFYSA-N 0 3 291.395 1.267 20 10 CDCDHN COCCNCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817964406 741298240 /nfs/dbraw/zinc/29/82/40/741298240.db2.gz BJTCNNTVFLZPSU-SNVBAGLBSA-N 0 3 272.776 1.932 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000879649782 741357618 /nfs/dbraw/zinc/35/76/18/741357618.db2.gz USTVUZOWVOLHDV-AGIUHOORSA-N 0 3 292.379 1.727 20 10 CDCDHN C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000854232532 741615633 /nfs/dbraw/zinc/61/56/33/741615633.db2.gz SDOLZRFNHIJQHK-ZJUUUORDSA-N 0 3 266.341 1.437 20 10 CDCDHN [O-]c1c(Cl)cccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087001 741750521 /nfs/dbraw/zinc/75/05/21/741750521.db2.gz RJWCZYSHMOSRJJ-LLVKDONJSA-N 0 3 270.760 1.514 20 10 CDCDHN CC[C@H](N)C(=O)NCCCSc1nccs1 ZINC000160060069 741718059 /nfs/dbraw/zinc/71/80/59/741718059.db2.gz JDUYGJBBVSWBRV-QMMMGPOBSA-N 0 3 259.400 1.479 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226582939 741817664 /nfs/dbraw/zinc/81/76/64/741817664.db2.gz HAORIXXOJRHXID-UHFFFAOYSA-N 0 3 266.316 1.632 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000382571320 742007400 /nfs/dbraw/zinc/00/74/00/742007400.db2.gz QNGXDAMOJWJNHY-ZANVPECISA-N 0 3 257.305 1.579 20 10 CDCDHN CC[C@@H](N)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980839 742032401 /nfs/dbraw/zinc/03/24/01/742032401.db2.gz XJJFXCJPBDAUGP-MWLCHTKSSA-N 0 3 266.341 1.567 20 10 CDCDHN COC1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839101278 741984591 /nfs/dbraw/zinc/98/45/91/741984591.db2.gz LPLVTRZFNFTAPL-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([O-])c1 ZINC000783735317 742276574 /nfs/dbraw/zinc/27/65/74/742276574.db2.gz PGGFGEUUKTVELI-DOMZBBRYSA-N 0 3 263.337 1.605 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([O-])c1 ZINC000783735317 742276592 /nfs/dbraw/zinc/27/65/92/742276592.db2.gz PGGFGEUUKTVELI-DOMZBBRYSA-N 0 3 263.337 1.605 20 10 CDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000842913298 742283836 /nfs/dbraw/zinc/28/38/36/742283836.db2.gz YVRHBTBSAAWXIH-ZKYQVNSYSA-N 0 3 251.326 1.765 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c([O-])c1 ZINC000824709548 739244665 /nfs/dbraw/zinc/24/46/65/739244665.db2.gz RBCRTOASPLKSHX-BBRMVZONSA-N 0 3 295.379 1.932 20 10 CDCDHN CC(C)(CO)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779021588 740239609 /nfs/dbraw/zinc/23/96/09/740239609.db2.gz VHZBQGSEVHIEQE-UHFFFAOYSA-N 0 3 282.359 1.420 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000876593345 740496909 /nfs/dbraw/zinc/49/69/09/740496909.db2.gz IWHAEAALFCCCHI-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN C[C@@H](N[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395131 740828049 /nfs/dbraw/zinc/82/80/49/740828049.db2.gz QMBKARQQPGIJMK-BXUZGUMPSA-N 0 3 261.369 1.682 20 10 CDCDHN CCOc1cccc(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1O ZINC000814172891 740950549 /nfs/dbraw/zinc/95/05/49/740950549.db2.gz CSFOLGDWNPHGLB-IMRBUKKESA-N 0 3 291.347 1.642 20 10 CDCDHN CC(C)(O)CN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180056824 740969901 /nfs/dbraw/zinc/96/99/01/740969901.db2.gz INQUAYANBPVUQM-UHFFFAOYSA-N 0 3 282.359 1.420 20 10 CDCDHN CCNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000046502309 741020850 /nfs/dbraw/zinc/02/08/50/741020850.db2.gz IZRGMOLHOQRCNU-UHFFFAOYSA-N 0 3 291.395 1.343 20 10 CDCDHN CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036959793 741304313 /nfs/dbraw/zinc/30/43/13/741304313.db2.gz ZOIFSYPGYMDMKN-GHMZBOCLSA-N 0 3 250.342 1.958 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CNCCO1 ZINC000829764180 741468223 /nfs/dbraw/zinc/46/82/23/741468223.db2.gz HFYNZFWANGZWCJ-OAHLLOKOSA-N 0 3 291.395 1.056 20 10 CDCDHN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846213830 741478835 /nfs/dbraw/zinc/47/88/35/741478835.db2.gz KTRVIHCSPHPOCK-WFASDCNBSA-N 0 3 265.353 1.974 20 10 CDCDHN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000825278766 741504417 /nfs/dbraw/zinc/50/44/17/741504417.db2.gz IFYBRTVCYDAXLK-CYBMUJFWSA-N 0 3 277.368 1.628 20 10 CDCDHN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000825278766 741504425 /nfs/dbraw/zinc/50/44/25/741504425.db2.gz IFYBRTVCYDAXLK-CYBMUJFWSA-N 0 3 277.368 1.628 20 10 CDCDHN CCOC(=O)c1cnc(SCCN(C)C)s1 ZINC000390477821 741757844 /nfs/dbraw/zinc/75/78/44/741757844.db2.gz JYMJZUPRLJMLPI-UHFFFAOYSA-N 0 3 260.384 1.974 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)OC)c1 ZINC000858577847 741862858 /nfs/dbraw/zinc/86/28/58/741862858.db2.gz FQATZQWKAYKVSX-ZJUUUORDSA-N 0 3 282.340 1.460 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000840974727 742024820 /nfs/dbraw/zinc/02/48/20/742024820.db2.gz NPMZVEACULBYQV-UHFFFAOYSA-N 0 3 281.331 1.425 20 10 CDCDHN C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccccc1[O-] ZINC000886667941 742119449 /nfs/dbraw/zinc/11/94/49/742119449.db2.gz KXZMAUIBFZZNQN-YNEHKIRRSA-N 0 3 265.353 1.973 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000788532966 742777624 /nfs/dbraw/zinc/77/76/24/742777624.db2.gz BFWXJCPDVFSVGC-ABAIWWIYSA-N 0 3 281.352 1.420 20 10 CDCDHN C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604131659 1167851281 /nfs/dbraw/zinc/85/12/81/1167851281.db2.gz BJOVOMYTAGULDJ-UWVGGRQHSA-N 0 3 266.341 1.868 20 10 CDCDHN Cc1cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)ccc1N(C)C ZINC001139669552 936318636 /nfs/dbraw/zinc/31/86/36/936318636.db2.gz AJGMHTOXPBNOBX-IAGOWNOFSA-N 0 3 292.423 1.626 20 10 CDCDHN CC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754055 936534976 /nfs/dbraw/zinc/53/49/76/936534976.db2.gz UBMGSBVINUZHNE-IUODEOHRSA-N 0 3 291.395 1.375 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140056469 936674937 /nfs/dbraw/zinc/67/49/37/936674937.db2.gz YDTHGEQOGJVHFW-BXUZGUMPSA-N 0 3 292.354 1.974 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140056469 936674939 /nfs/dbraw/zinc/67/49/39/936674939.db2.gz YDTHGEQOGJVHFW-BXUZGUMPSA-N 0 3 292.354 1.974 20 10 CDCDHN Cc1ccc(C)c(CN2CCN3C(=O)COC[C@H]3C2)c1O ZINC001140184106 936684751 /nfs/dbraw/zinc/68/47/51/936684751.db2.gz NDJZMUQSYWCOEJ-CYBMUJFWSA-N 0 3 290.363 1.052 20 10 CDCDHN COC(=O)CN1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140181439 936684995 /nfs/dbraw/zinc/68/49/95/936684995.db2.gz BKELVNBMPUVICD-UHFFFAOYSA-N 0 3 292.379 1.300 20 10 CDCDHN Cc1c(O)ccc(CN2CCN(CC3CC3)CC2)c1O ZINC001140745902 936748789 /nfs/dbraw/zinc/74/87/89/936748789.db2.gz PJWBZKBUOPXNEH-UHFFFAOYSA-N 0 3 276.380 1.934 20 10 CDCDHN CC(=O)N1CCC2(CN(Cc3ccc(O)c(C)c3O)C2)C1 ZINC001140748867 936749441 /nfs/dbraw/zinc/74/94/41/936749441.db2.gz SDUVMQSAEZNOJO-UHFFFAOYSA-N 0 3 290.363 1.460 20 10 CDCDHN CN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001141157684 936822013 /nfs/dbraw/zinc/82/20/13/936822013.db2.gz MHQHXEQFMLLPHN-MRXNPFEDSA-N 0 3 290.363 1.685 20 10 CDCDHN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000692804070 937233817 /nfs/dbraw/zinc/23/38/17/937233817.db2.gz UULYNDBLUUICDR-LLVKDONJSA-N 0 3 271.382 1.868 20 10 CDCDHN Cc1cccc(CN2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817412191 930528560 /nfs/dbraw/zinc/52/85/60/930528560.db2.gz GEHCBXDNPOXMGL-ZDUSSCGKSA-N 0 3 265.353 1.672 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CF)C1)[C@@H](O)CO2 ZINC001119331216 937710431 /nfs/dbraw/zinc/71/04/31/937710431.db2.gz MZLPWJHZRJHWOZ-RNCFNFMXSA-N 0 3 267.300 1.609 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CF)C1)[C@@H](O)CO2 ZINC001119331216 937710433 /nfs/dbraw/zinc/71/04/33/937710433.db2.gz MZLPWJHZRJHWOZ-RNCFNFMXSA-N 0 3 267.300 1.609 20 10 CDCDHN CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253699326 935845527 /nfs/dbraw/zinc/84/55/27/935845527.db2.gz KLSXLLSFKXUXHW-LBPRGKRZSA-N 0 3 267.325 1.184 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](O)[C@](C)(CO)C2)cc1 ZINC001203931469 939714723 /nfs/dbraw/zinc/71/47/23/939714723.db2.gz QTJATRNDBXJNDV-HOTGVXAUSA-N 0 3 278.396 1.318 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276377 939749647 /nfs/dbraw/zinc/74/96/47/939749647.db2.gz LESCEYNGKAWRJZ-JTQLQIEISA-N 0 3 251.282 1.093 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276377 939749643 /nfs/dbraw/zinc/74/96/43/939749643.db2.gz LESCEYNGKAWRJZ-JTQLQIEISA-N 0 3 251.282 1.093 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272039 939749789 /nfs/dbraw/zinc/74/97/89/939749789.db2.gz IGNMKNRRPDDNDX-UHFFFAOYSA-N 0 3 264.325 1.056 20 10 CDCDHN CCC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275543 939750577 /nfs/dbraw/zinc/75/05/77/939750577.db2.gz VXPRUNOZKCRHGE-UHFFFAOYSA-N 0 3 278.352 1.588 20 10 CDCDHN COc1cc(CN2CCC[C@H](O)C2)c(O)cc1O ZINC001231635333 942947403 /nfs/dbraw/zinc/94/74/03/942947403.db2.gz WSPYWVIUSIQZKH-JTQLQIEISA-N 0 3 253.298 1.063 20 10 CDCDHN COc1cc(CN2CCC[C@@H](C(C)=O)C2)c(O)cc1O ZINC001231637339 942953974 /nfs/dbraw/zinc/95/39/74/942953974.db2.gz JLWDDXPEHRWZED-LLVKDONJSA-N 0 3 279.336 1.907 20 10 CDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236291314 944450399 /nfs/dbraw/zinc/45/03/99/944450399.db2.gz LKFZUUMQQDHBNW-ONGXEEELSA-N 0 3 272.270 1.815 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249177476 949442116 /nfs/dbraw/zinc/44/21/16/949442116.db2.gz ACJFCHNVILZMBO-OKILXGFUSA-N 0 3 291.347 1.186 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249177476 949442133 /nfs/dbraw/zinc/44/21/33/949442133.db2.gz ACJFCHNVILZMBO-OKILXGFUSA-N 0 3 291.347 1.186 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001249214704 949459905 /nfs/dbraw/zinc/45/99/05/949459905.db2.gz QZPHKQWRHJXWMM-UHFFFAOYSA-N 0 3 275.348 1.950 20 10 CDCDHN CC(C)(C)OC(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000266140005 345334917 /nfs/dbraw/zinc/33/49/17/345334917.db2.gz GVDWGUHZVDICGN-UHFFFAOYSA-N 0 3 295.335 1.942 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751569 356527882 /nfs/dbraw/zinc/52/78/82/356527882.db2.gz JZTVVNYNPUCEAD-JTQLQIEISA-N 0 3 266.341 1.530 20 10 CDCDHN C[C@@H](NCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551037 356548075 /nfs/dbraw/zinc/54/80/75/356548075.db2.gz CWPIZKNZDVJVNS-LLVKDONJSA-N 0 3 268.332 1.305 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180218847 357252654 /nfs/dbraw/zinc/25/26/54/357252654.db2.gz SSLRJVRAXBCVRL-ZDUSSCGKSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180218847 357252656 /nfs/dbraw/zinc/25/26/56/357252656.db2.gz SSLRJVRAXBCVRL-ZDUSSCGKSA-N 0 3 262.353 1.659 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188832147 357942378 /nfs/dbraw/zinc/94/23/78/357942378.db2.gz WQJAPKMPLKEVJD-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188832147 357942382 /nfs/dbraw/zinc/94/23/82/357942382.db2.gz WQJAPKMPLKEVJD-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOCCOCCN(C)Cc1cccc(OC)c1O ZINC000191571917 358139028 /nfs/dbraw/zinc/13/90/28/358139028.db2.gz VMSUMUMQELZTLQ-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000294718196 199150302 /nfs/dbraw/zinc/15/03/02/199150302.db2.gz FFMOCENWJKQLDC-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CO)c1 ZINC000294718196 199150304 /nfs/dbraw/zinc/15/03/04/199150304.db2.gz FFMOCENWJKQLDC-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193132072 358268327 /nfs/dbraw/zinc/26/83/27/358268327.db2.gz ZUHDWLQAFZBXIB-GFCCVEGCSA-N 0 3 292.379 1.806 20 10 CDCDHN CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193132072 358268332 /nfs/dbraw/zinc/26/83/32/358268332.db2.gz ZUHDWLQAFZBXIB-GFCCVEGCSA-N 0 3 292.379 1.806 20 10 CDCDHN C[C@H]1COCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000370989987 360691075 /nfs/dbraw/zinc/69/10/75/360691075.db2.gz AOPYJZGVRMQZNV-SNVBAGLBSA-N 0 3 265.309 1.589 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(F)ccc1[O-] ZINC000273405888 365492313 /nfs/dbraw/zinc/49/23/13/365492313.db2.gz OJWPFFJYTBWPHU-WCQYABFASA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H](NCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273442920 365495896 /nfs/dbraw/zinc/49/58/96/365495896.db2.gz ZCAZDJLEMHYYOY-SNVBAGLBSA-N 0 3 267.329 1.903 20 10 CDCDHN CCOc1cccc(C[NH2+]CCN2CCSCC2)c1[O-] ZINC000226246355 367361531 /nfs/dbraw/zinc/36/15/31/367361531.db2.gz HXUGPAPWEBILJG-UHFFFAOYSA-N 0 3 296.436 1.929 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000281521618 367650473 /nfs/dbraw/zinc/65/04/73/367650473.db2.gz HSYNYGMXYILUEQ-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000284235048 368506455 /nfs/dbraw/zinc/50/64/55/368506455.db2.gz VGJHSWXFUYFUIN-NWDGAFQWSA-N 0 3 283.393 1.868 20 10 CDCDHN Cc1cc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C ZINC000288717817 369485812 /nfs/dbraw/zinc/48/58/12/369485812.db2.gz ZRKTZCJHDYYKPP-WCQYABFASA-N 0 3 283.393 1.532 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)[C@H](C)CO)c([O-])c1 ZINC000289183023 369529086 /nfs/dbraw/zinc/52/90/86/369529086.db2.gz APUJAQLIZAQFTC-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)[C@H](C)CO)c([O-])c1 ZINC000289183023 369529088 /nfs/dbraw/zinc/52/90/88/369529088.db2.gz APUJAQLIZAQFTC-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN O=C1NCCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295836064 371398468 /nfs/dbraw/zinc/39/84/68/371398468.db2.gz FIIYROLPKQOHOW-VXGBXAGGSA-N 0 3 260.337 1.638 20 10 CDCDHN CC(C)[C@](C)(NCc1ccc(N(C)C)cc1)C(N)=O ZINC000297727448 371458502 /nfs/dbraw/zinc/45/85/02/371458502.db2.gz SEPBRRWNVOUEBA-HNNXBMFYSA-N 0 3 263.385 1.742 20 10 CDCDHN CCN(CC)c1ccc(CN2CC(CC(N)=O)C2)cc1 ZINC000297397641 371987747 /nfs/dbraw/zinc/98/77/47/371987747.db2.gz LBWAOBCSMNCUCA-UHFFFAOYSA-N 0 3 275.396 1.840 20 10 CDCDHN CCCOc1ccc(CN2CC(C(=O)NC)C2)c(O)c1 ZINC000297520726 371998199 /nfs/dbraw/zinc/99/81/99/371998199.db2.gz YDANNGNSJNUSRK-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1 ZINC000294122350 378613213 /nfs/dbraw/zinc/61/32/13/378613213.db2.gz KVSDQCKTFVRRNT-NSHDSACASA-N 0 3 291.351 1.211 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186202509 378846380 /nfs/dbraw/zinc/84/63/80/378846380.db2.gz HJENLGGFOLCSLP-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000120765923 390875627 /nfs/dbraw/zinc/87/56/27/390875627.db2.gz JUETXFZFYHBGMJ-AWEZNQCLSA-N 0 3 295.379 1.381 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000120765923 390875629 /nfs/dbraw/zinc/87/56/29/390875629.db2.gz JUETXFZFYHBGMJ-AWEZNQCLSA-N 0 3 295.379 1.381 20 10 CDCDHN CCC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000050193216 390820566 /nfs/dbraw/zinc/82/05/66/390820566.db2.gz JBHHQJMBQJBTJR-OAHLLOKOSA-N 0 3 278.396 1.978 20 10 CDCDHN CC(C)N1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000296840458 391061661 /nfs/dbraw/zinc/06/16/61/391061661.db2.gz MYAKHTLQNMFXHD-STQMWFEESA-N 0 3 274.364 1.978 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccccc1[O-] ZINC000229556253 391137149 /nfs/dbraw/zinc/13/71/49/391137149.db2.gz LOMSFTVMJRKKBF-WCQYABFASA-N 0 3 253.342 1.830 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037268342 285575542 /nfs/dbraw/zinc/57/55/42/285575542.db2.gz DGTIZGYZUPXSAC-RYUDHWBXSA-N 0 3 263.385 1.928 20 10 CDCDHN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)ccc1[O-] ZINC000168735080 260907156 /nfs/dbraw/zinc/90/71/56/260907156.db2.gz XQZKUXXHWAIKRJ-SECBINFHSA-N 0 3 266.316 1.708 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417930 261101468 /nfs/dbraw/zinc/10/14/68/261101468.db2.gz NASYNRVELQKRSA-CMPLNLGQSA-N 0 3 279.336 1.856 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417930 261101469 /nfs/dbraw/zinc/10/14/69/261101469.db2.gz NASYNRVELQKRSA-CMPLNLGQSA-N 0 3 279.336 1.856 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1F ZINC000166459726 261389532 /nfs/dbraw/zinc/38/95/32/261389532.db2.gz GWCXDTTWQVDRGN-ZDUSSCGKSA-N 0 3 279.359 1.650 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180727827 261872422 /nfs/dbraw/zinc/87/24/22/261872422.db2.gz JJSYVBIJPXLJHB-CYBMUJFWSA-N 0 3 257.305 1.408 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149650 262082013 /nfs/dbraw/zinc/08/20/13/262082013.db2.gz BRNNXKCKURAFOY-GFCCVEGCSA-N 0 3 295.379 1.841 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149634 262082182 /nfs/dbraw/zinc/08/21/82/262082182.db2.gz BRNNXKCKURAFOY-LBPRGKRZSA-N 0 3 295.379 1.841 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000184670844 262291298 /nfs/dbraw/zinc/29/12/98/262291298.db2.gz RALDYBXRPKORPV-MRVPVSSYSA-N 0 3 284.743 1.361 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000184670844 262291299 /nfs/dbraw/zinc/29/12/99/262291299.db2.gz RALDYBXRPKORPV-MRVPVSSYSA-N 0 3 284.743 1.361 20 10 CDCDHN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1[O-] ZINC000282476829 263076945 /nfs/dbraw/zinc/07/69/45/263076945.db2.gz GVNIAPQUNPFIRT-CYBMUJFWSA-N 0 3 295.379 1.601 20 10 CDCDHN CCCN(Cc1cccc(C)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000283081968 276256044 /nfs/dbraw/zinc/25/60/44/276256044.db2.gz RHZUZNGFJIABRE-CYBMUJFWSA-N 0 3 290.363 1.670 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000272900311 328201408 /nfs/dbraw/zinc/20/14/08/328201408.db2.gz UYLMZRSTROEWSA-IAQYHMDHSA-N 0 3 265.353 1.830 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](C)CCOCCO)c1[O-] ZINC000282807669 328243659 /nfs/dbraw/zinc/24/36/59/328243659.db2.gz SKSFSPGXEXYOPP-UHFFFAOYSA-N 0 3 289.759 1.495 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOCCO)c1[O-] ZINC000282807669 328243660 /nfs/dbraw/zinc/24/36/60/328243660.db2.gz SKSFSPGXEXYOPP-UHFFFAOYSA-N 0 3 289.759 1.495 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NC(C)(C)C ZINC000226586539 333265842 /nfs/dbraw/zinc/26/58/42/333265842.db2.gz WPSDGLPXTJRYMJ-VIFPVBQESA-N 0 3 268.332 1.924 20 10 CDCDHN COC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000230935753 333322684 /nfs/dbraw/zinc/32/26/84/333322684.db2.gz ROLOOMYBRWWKCK-NSHDSACASA-N 0 3 289.759 1.805 20 10 CDCDHN CCCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000131699712 1175785756 /nfs/dbraw/zinc/78/57/56/1175785756.db2.gz OMGQSXYGBFZRAZ-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN COC[C@@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000278349043 522258987 /nfs/dbraw/zinc/25/89/87/522258987.db2.gz MMYYSWUWWYNZIX-OCCSQVGLSA-N 0 3 283.368 1.236 20 10 CDCDHN COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000278349043 522258996 /nfs/dbraw/zinc/25/89/96/522258996.db2.gz MMYYSWUWWYNZIX-OCCSQVGLSA-N 0 3 283.368 1.236 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367704872 522535775 /nfs/dbraw/zinc/53/57/75/522535775.db2.gz LMWCLRFIMVFFQA-VIFPVBQESA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367704872 522535784 /nfs/dbraw/zinc/53/57/84/522535784.db2.gz LMWCLRFIMVFFQA-VIFPVBQESA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC000279426868 522781019 /nfs/dbraw/zinc/78/10/19/522781019.db2.gz NUQHWTBVRMFIIR-BONVTDFDSA-N 0 3 297.351 1.039 20 10 CDCDHN COCCOCCOCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000276191930 524012424 /nfs/dbraw/zinc/01/24/24/524012424.db2.gz MKFMLFAZQRNLSW-UHFFFAOYSA-N 0 3 297.395 1.812 20 10 CDCDHN COCCOCCOCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000276191930 524012429 /nfs/dbraw/zinc/01/24/29/524012429.db2.gz MKFMLFAZQRNLSW-UHFFFAOYSA-N 0 3 297.395 1.812 20 10 CDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000036990355 524072199 /nfs/dbraw/zinc/07/21/99/524072199.db2.gz DCYBEEDZEILBJQ-LBPRGKRZSA-N 0 3 291.395 1.253 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC2CC2)c1 ZINC000036782389 524769334 /nfs/dbraw/zinc/76/93/34/524769334.db2.gz GZIDFNYUNKJBTN-VIFPVBQESA-N 0 3 264.325 1.330 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N(C)C ZINC000094617125 525528506 /nfs/dbraw/zinc/52/85/06/525528506.db2.gz IUXPEGPWHQWBRY-IUCAKERBSA-N 0 3 254.305 1.659 20 10 CDCDHN COc1cccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000364892906 525939521 /nfs/dbraw/zinc/93/95/21/525939521.db2.gz PVIKXMDGADCCEY-OAHLLOKOSA-N 0 3 292.335 1.475 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@@H]1O ZINC000770380752 575475748 /nfs/dbraw/zinc/47/57/48/575475748.db2.gz NPVFPINRFOTTPU-GWCFXTLKSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@@H]1O ZINC000770380752 575475751 /nfs/dbraw/zinc/47/57/51/575475751.db2.gz NPVFPINRFOTTPU-GWCFXTLKSA-N 0 3 251.326 1.604 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000766467203 576104564 /nfs/dbraw/zinc/10/45/64/576104564.db2.gz GJDNMDHAONTLLF-AWEZNQCLSA-N 0 3 265.309 1.204 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CO)CC1 ZINC000768240701 576266676 /nfs/dbraw/zinc/26/66/76/576266676.db2.gz CXEZCXCHDKRHAN-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN C[N@H+](CCOCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462622 576286350 /nfs/dbraw/zinc/28/63/50/576286350.db2.gz AOTGTMJUKFQYRI-HNNXBMFYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@@H+](CCOCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462622 576286352 /nfs/dbraw/zinc/28/63/52/576286352.db2.gz AOTGTMJUKFQYRI-HNNXBMFYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[C@@H]1C[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768466179 576288056 /nfs/dbraw/zinc/28/80/56/576288056.db2.gz NNJQNTMWYVGSAQ-RULNRJAQSA-N 0 3 263.337 1.906 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c([O-])c1C ZINC000762784854 576671329 /nfs/dbraw/zinc/67/13/29/576671329.db2.gz ALRURKXCGZFVJB-XJKSGUPXSA-N 0 3 278.396 1.726 20 10 CDCDHN C[C@H](NC[C@H](O)C[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756551835 576995138 /nfs/dbraw/zinc/99/51/38/576995138.db2.gz AQBKVHOZUFDMMH-WPRPVWTQSA-N 0 3 274.311 1.244 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2[O-] ZINC000756759868 577003182 /nfs/dbraw/zinc/00/31/82/577003182.db2.gz NCGIJUCAVGRDFD-KOLCDFICSA-N 0 3 281.327 1.678 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)COC2)c([O-])c1C ZINC000756761694 577003194 /nfs/dbraw/zinc/00/31/94/577003194.db2.gz RBOZBLPJVGAJKX-LBPRGKRZSA-N 0 3 265.353 1.669 20 10 CDCDHN CCOc1ccc(C[NH2+][C@]2(CO)CCOC2)c([O-])c1 ZINC000757978684 577064962 /nfs/dbraw/zinc/06/49/62/577064962.db2.gz PKZDURYJPJZDHE-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804776627 617330429 /nfs/dbraw/zinc/33/04/29/617330429.db2.gz DJGHXISPINVQHV-NSHDSACASA-N 0 3 278.352 1.702 20 10 CDCDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804776627 617330430 /nfs/dbraw/zinc/33/04/30/617330430.db2.gz DJGHXISPINVQHV-NSHDSACASA-N 0 3 278.352 1.702 20 10 CDCDHN C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000036331692 617354411 /nfs/dbraw/zinc/35/44/11/617354411.db2.gz ICFSTTJWXVXBOY-JTQLQIEISA-N 0 3 269.366 1.620 20 10 CDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc3c(c2)CCO3)C1(F)F ZINC000894213674 618729043 /nfs/dbraw/zinc/72/90/43/618729043.db2.gz PKACJZJUKLUENS-AAEUAGOBSA-N 0 3 297.301 1.765 20 10 CDCDHN COC(=O)c1c(CNCCO)c2cc(F)ccc2n1C ZINC000894383388 618840233 /nfs/dbraw/zinc/84/02/33/618840233.db2.gz HYTOYXWELXFDFV-UHFFFAOYSA-N 0 3 280.299 1.186 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1[O-] ZINC000019954243 619401668 /nfs/dbraw/zinc/40/16/68/619401668.db2.gz RHRAXIMDNFYHMP-GFCCVEGCSA-N 0 3 250.342 1.375 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000794815410 619442404 /nfs/dbraw/zinc/44/24/04/619442404.db2.gz KKNJLSHHRQGPBH-ZFWWWQNUSA-N 0 3 265.353 1.893 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1F ZINC000895332194 619578282 /nfs/dbraw/zinc/57/82/82/619578282.db2.gz SFXVSDQDHRJMHX-WFASDCNBSA-N 0 3 282.359 1.209 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C2CC2)C2C[NH2+]C2)c1[O-] ZINC001575033608 1171089982 /nfs/dbraw/zinc/08/99/82/1171089982.db2.gz TVFYAPHNQRKCFL-UHFFFAOYSA-N 0 3 278.327 1.670 20 10 CDCDHN CCN1C[C@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000391596501 742899920 /nfs/dbraw/zinc/89/99/20/742899920.db2.gz HXCVRRXEUFZOMT-CYBMUJFWSA-N 0 3 261.369 1.463 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000785985293 742978336 /nfs/dbraw/zinc/97/83/36/742978336.db2.gz UMKCOFSLEHVOLA-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000785985293 742978379 /nfs/dbraw/zinc/97/83/79/742978379.db2.gz UMKCOFSLEHVOLA-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[O-] ZINC000879648764 743448636 /nfs/dbraw/zinc/44/86/36/743448636.db2.gz CSQOIHCSMPWWDU-MGPQQGTHSA-N 0 3 295.379 1.599 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1[O-] ZINC000183565677 745011218 /nfs/dbraw/zinc/01/12/18/745011218.db2.gz ISSFAFQMLVUMDI-WDEREUQCSA-N 0 3 271.382 1.866 20 10 CDCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000824708927 745390780 /nfs/dbraw/zinc/39/07/80/745390780.db2.gz LJIZBGPVLVVOQP-HZMBPMFUSA-N 0 3 269.316 1.672 20 10 CDCDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1O ZINC000858588604 745484499 /nfs/dbraw/zinc/48/44/99/745484499.db2.gz KHRXAUDGMDJSGW-NXEZZACHSA-N 0 3 282.340 1.460 20 10 CDCDHN CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000858586838 745660144 /nfs/dbraw/zinc/66/01/44/745660144.db2.gz LELOATDKSJEIFK-VXGBXAGGSA-N 0 3 279.384 1.812 20 10 CDCDHN Cc1ccc(CN(C)[C@@H]2CCCCNC2=O)c(O)c1 ZINC000876654645 745672994 /nfs/dbraw/zinc/67/29/94/745672994.db2.gz LFLFIMKQDZVOSM-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC000884222830 745746290 /nfs/dbraw/zinc/74/62/90/745746290.db2.gz BNLGNUCANMPYCF-CQSZACIVSA-N 0 3 279.384 1.041 20 10 CDCDHN CCCN1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000850394935 745889736 /nfs/dbraw/zinc/88/97/36/745889736.db2.gz JGVMVWQDOWTMGK-LBPRGKRZSA-N 0 3 264.369 1.975 20 10 CDCDHN O=C1CC2(CN1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC000272336287 745891867 /nfs/dbraw/zinc/89/18/67/745891867.db2.gz XKUATZCYBQLSSR-UHFFFAOYSA-N 0 3 260.337 1.494 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C2(CO)CCOCC2)c([O-])c1 ZINC000827907595 745905280 /nfs/dbraw/zinc/90/52/80/745905280.db2.gz CRELXTZWYDYASN-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C2(CO)CCOCC2)c([O-])c1 ZINC000827907595 745905287 /nfs/dbraw/zinc/90/52/87/745905287.db2.gz CRELXTZWYDYASN-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)OCCO ZINC000877536286 746223637 /nfs/dbraw/zinc/22/36/37/746223637.db2.gz YTHDFWKDGZHDNW-UHFFFAOYSA-N 0 3 253.342 1.578 20 10 CDCDHN CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1OC ZINC000775979201 746309311 /nfs/dbraw/zinc/30/93/11/746309311.db2.gz RTYKAEIRLFOYFN-BMFZPTHFSA-N 0 3 277.364 1.904 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)[C@H](O)CO2 ZINC000799957443 746344726 /nfs/dbraw/zinc/34/47/26/746344726.db2.gz OSVNHZRCKFZHBU-CQSZACIVSA-N 0 3 291.347 1.573 20 10 CDCDHN CCCN1C[C@H](C[NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000817410941 746679905 /nfs/dbraw/zinc/67/99/05/746679905.db2.gz KGRVIMGWMNUQST-LBPRGKRZSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOCc1cc(CN[C@@H]2COCC[C@H]2O)ccc1OC ZINC000865750620 746829854 /nfs/dbraw/zinc/82/98/54/746829854.db2.gz TVZJBSFVRZSIMU-HUUCEWRRSA-N 0 3 295.379 1.471 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(C)cc1[O-] ZINC000840802356 746863100 /nfs/dbraw/zinc/86/31/00/746863100.db2.gz IBZQLQGRAWXZJK-OCCSQVGLSA-N 0 3 290.367 1.394 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000850342925 746881853 /nfs/dbraw/zinc/88/18/53/746881853.db2.gz OSQVEKZSECHEAP-WFASDCNBSA-N 0 3 281.352 1.542 20 10 CDCDHN CCN(C)c1ccc(CNC2(C(N)=O)CCOCC2)cc1 ZINC000852493565 746887857 /nfs/dbraw/zinc/88/78/57/746887857.db2.gz QBMBZKGIZZMWPW-UHFFFAOYSA-N 0 3 291.395 1.267 20 10 CDCDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877424335 746893114 /nfs/dbraw/zinc/89/31/14/746893114.db2.gz JAWMVDVEXPXNBG-ZBFHGGJFSA-N 0 3 295.379 1.611 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC(O)(C[NH3+])CC2)c1[O-] ZINC000842480673 747013717 /nfs/dbraw/zinc/01/37/17/747013717.db2.gz YZXUACAABAHANB-UHFFFAOYSA-N 0 3 296.342 1.020 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000037169229 747137640 /nfs/dbraw/zinc/13/76/40/747137640.db2.gz GDROMLQMCLXMPO-AWEZNQCLSA-N 0 3 287.363 1.748 20 10 CDCDHN CN(C)c1ccc(CNC[C@H](O)CO)c(C(F)(F)F)c1 ZINC000793170659 747484118 /nfs/dbraw/zinc/48/41/18/747484118.db2.gz TXEZBNHALSZRJK-NSHDSACASA-N 0 3 292.301 1.214 20 10 CDCDHN CCc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O ZINC000827125629 747811019 /nfs/dbraw/zinc/81/10/19/747811019.db2.gz NDBWFOHBROOOLF-INIZCTEOSA-N 0 3 290.407 1.861 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000816667756 748017708 /nfs/dbraw/zinc/01/77/08/748017708.db2.gz VXRXEFUOLXOOAF-LLVKDONJSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000816667756 748017720 /nfs/dbraw/zinc/01/77/20/748017720.db2.gz VXRXEFUOLXOOAF-LLVKDONJSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000094948830 748255271 /nfs/dbraw/zinc/25/52/71/748255271.db2.gz QUYKXEIJXHYWBL-SNVBAGLBSA-N 0 3 267.325 1.619 20 10 CDCDHN CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230666929 748340414 /nfs/dbraw/zinc/34/04/14/748340414.db2.gz JDFPZTNZJRPTAK-VIFPVBQESA-N 0 3 290.360 1.121 20 10 CDCDHN C[C@@H]([NH2+]C1CNC1)c1cc(Br)cc(F)c1[O-] ZINC000817956387 748364955 /nfs/dbraw/zinc/36/49/55/748364955.db2.gz XVXHOKSFNVTYES-ZCFIWIBFSA-N 0 3 289.148 1.916 20 10 CDCDHN C[C@@H]1C[C@H](NCc2cnnn2C)c2c1c(F)ccc2O ZINC000806659927 748471375 /nfs/dbraw/zinc/47/13/75/748471375.db2.gz KCWYHNSPJGKTOE-KCJUWKMLSA-N 0 3 276.315 1.998 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2[O-] ZINC000806659927 748471383 /nfs/dbraw/zinc/47/13/83/748471383.db2.gz KCWYHNSPJGKTOE-KCJUWKMLSA-N 0 3 276.315 1.998 20 10 CDCDHN CS[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840112511 748803426 /nfs/dbraw/zinc/80/34/26/748803426.db2.gz DFGRXBSKPGWQLY-ZWNOBZJWSA-N 0 3 281.377 1.755 20 10 CDCDHN CS[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840112511 748803427 /nfs/dbraw/zinc/80/34/27/748803427.db2.gz DFGRXBSKPGWQLY-ZWNOBZJWSA-N 0 3 281.377 1.755 20 10 CDCDHN COc1ccc(N(C)C[C@H]2CNCCO2)cc1Cl ZINC000852746527 749090581 /nfs/dbraw/zinc/09/05/81/749090581.db2.gz MTHGVOAPPUQVCR-LLVKDONJSA-N 0 3 270.760 1.773 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000228414784 749204857 /nfs/dbraw/zinc/20/48/57/749204857.db2.gz MMOWTUZFBFDLFF-UHFFFAOYSA-N 0 3 257.355 1.307 20 10 CDCDHN C[C@H]1C[C@H](NCc2cnnn2C)c2c1c(F)ccc2O ZINC000806659928 749333298 /nfs/dbraw/zinc/33/32/98/749333298.db2.gz KCWYHNSPJGKTOE-KWQFWETISA-N 0 3 276.315 1.998 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2[O-] ZINC000806659928 749333307 /nfs/dbraw/zinc/33/33/07/749333307.db2.gz KCWYHNSPJGKTOE-KWQFWETISA-N 0 3 276.315 1.998 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001235158169 914050554 /nfs/dbraw/zinc/05/05/54/914050554.db2.gz NZXWKWDHHRAQPT-GXFFZTMASA-N 0 3 252.745 1.969 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032009 899340676 /nfs/dbraw/zinc/34/06/76/899340676.db2.gz PYANDIBRTNSMHE-MNOVXSKESA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032009 899340666 /nfs/dbraw/zinc/34/06/66/899340666.db2.gz PYANDIBRTNSMHE-MNOVXSKESA-N 0 3 281.352 1.755 20 10 CDCDHN O=C1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C1CC1 ZINC001172003216 911069572 /nfs/dbraw/zinc/06/95/72/911069572.db2.gz UJIBMHDXYSBUKS-LLVKDONJSA-N 0 3 276.336 1.341 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236290485 914889773 /nfs/dbraw/zinc/88/97/73/914889773.db2.gz MJZHUTOLBMDNOT-JQWIXIFHSA-N 0 3 252.745 1.758 20 10 CDCDHN O[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001138496000 936543227 /nfs/dbraw/zinc/54/32/27/936543227.db2.gz MHDQEUWJJBAPDU-HOTGVXAUSA-N 0 3 294.370 1.428 20 10 CDCDHN O=C1NCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063161 936675621 /nfs/dbraw/zinc/67/56/21/936675621.db2.gz LUSVOVFQMRJQPJ-AWEZNQCLSA-N 0 3 264.300 1.243 20 10 CDCDHN O=C1NCC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063161 936675623 /nfs/dbraw/zinc/67/56/23/936675623.db2.gz LUSVOVFQMRJQPJ-AWEZNQCLSA-N 0 3 264.300 1.243 20 10 CDCDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660449 936736106 /nfs/dbraw/zinc/73/61/06/936736106.db2.gz RXQNJDQWRURXNB-DOMZBBRYSA-N 0 3 294.370 1.617 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)OCCN2C ZINC001141146448 936820320 /nfs/dbraw/zinc/82/03/20/936820320.db2.gz VVPVEYGFXBYXQH-GJZGRUSLSA-N 0 3 287.407 1.794 20 10 CDCDHN C[C@H](CN[C@@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000697603375 937284568 /nfs/dbraw/zinc/28/45/68/937284568.db2.gz HVSOZVQCFFEXRG-NEPJUHHUSA-N 0 3 284.425 1.836 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)CS(C)(=O)=O)c1O ZINC001119510637 937726968 /nfs/dbraw/zinc/72/69/68/937726968.db2.gz VXOWUEXSNMQBMD-JTQLQIEISA-N 0 3 287.381 1.232 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2F)N(C)C)cc1 ZINC001121170463 937859980 /nfs/dbraw/zinc/85/99/80/937859980.db2.gz HIYSSAGVYFAYCK-KKUMJFAQSA-N 0 3 293.386 1.830 20 10 CDCDHN COc1cccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c1[O-] ZINC001203595817 939695716 /nfs/dbraw/zinc/69/57/16/939695716.db2.gz OYUWXYCUTIXKQL-UHFFFAOYSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1cccc(C[N@@H+](C)C2CCN(C(C)=O)CC2)c1[O-] ZINC001203595817 939695718 /nfs/dbraw/zinc/69/57/18/939695718.db2.gz OYUWXYCUTIXKQL-UHFFFAOYSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1ccc(O)c(CN2CCC3(CC(=O)CO3)CC2)c1 ZINC001203670728 939700638 /nfs/dbraw/zinc/70/06/38/939700638.db2.gz YENMDQLVJSRPRG-UHFFFAOYSA-N 0 3 291.347 1.725 20 10 CDCDHN CC(C)N1CC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226465281 942010432 /nfs/dbraw/zinc/01/04/32/942010432.db2.gz RTUJQCDRUUKGPM-SSDOTTSWSA-N 0 3 285.296 1.076 20 10 CDCDHN C[C@@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483403 943592012 /nfs/dbraw/zinc/59/20/12/943592012.db2.gz YNMQAKKROGFZSQ-CYBMUJFWSA-N 0 3 253.298 1.008 20 10 CDCDHN CN(Cc1cc(O)c(O)cc1O)[C@@H]1CCCOC1 ZINC001233487709 943595253 /nfs/dbraw/zinc/59/52/53/943595253.db2.gz PCZYZZXXKDSIBU-SNVBAGLBSA-N 0 3 253.298 1.414 20 10 CDCDHN CCN1CCN(c2ccc(OC3COCOC3)cc2)CC1 ZINC001234657039 943929906 /nfs/dbraw/zinc/92/99/06/943929906.db2.gz ABLAPUGKJIMWMI-UHFFFAOYSA-N 0 3 292.379 1.580 20 10 CDCDHN [NH3+][C@@]12CC[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001235983184 944348088 /nfs/dbraw/zinc/34/80/88/944348088.db2.gz YLPSOXWJGAQCOP-GXFFZTMASA-N 0 3 252.745 1.969 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC001308858362 956588173 /nfs/dbraw/zinc/58/81/73/956588173.db2.gz CVRRSHKXESYLSZ-BLLLJJGKSA-N 0 3 295.379 1.850 20 10 CDCDHN Nc1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC001352790703 967484365 /nfs/dbraw/zinc/48/43/65/967484365.db2.gz SOWRJEBOXGCZDW-UHFFFAOYSA-N 0 3 256.309 1.323 20 10 CDCDHN CN(C)c1ccc(CN(C)CC(C)(CO)CO)cc1 ZINC000093502473 342429236 /nfs/dbraw/zinc/42/92/36/342429236.db2.gz KOVGMCMESROCIZ-UHFFFAOYSA-N 0 3 266.385 1.175 20 10 CDCDHN CCC[C@@](C)(N)C(=O)N(C)Cc1ccccc1O ZINC000037823790 356936588 /nfs/dbraw/zinc/93/65/88/356936588.db2.gz SFJDZNPMASWXEX-CQSZACIVSA-N 0 3 250.342 1.868 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000180505943 357273531 /nfs/dbraw/zinc/27/35/31/357273531.db2.gz SCFCZHPRXFNONN-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000180505943 357273535 /nfs/dbraw/zinc/27/35/35/357273535.db2.gz SCFCZHPRXFNONN-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CCOc1ccc(O)c(CNCC(=O)N(C)CC)c1 ZINC000185181522 357519519 /nfs/dbraw/zinc/51/95/19/357519519.db2.gz WSAQFQGZCIFSSO-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)NC)cc1 ZINC000187190936 357739765 /nfs/dbraw/zinc/73/97/65/357739765.db2.gz RIANKRVTAZFWLU-GFCCVEGCSA-N 0 3 299.440 1.343 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1OC ZINC000187985138 357831211 /nfs/dbraw/zinc/83/12/11/357831211.db2.gz PWOBOMTUGHFZMW-JQWIXIFHSA-N 0 3 281.352 1.660 20 10 CDCDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000191958421 358164241 /nfs/dbraw/zinc/16/42/41/358164241.db2.gz DCGHWNDLZBSEBC-OAHLLOKOSA-N 0 3 279.336 1.858 20 10 CDCDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000191958421 358164244 /nfs/dbraw/zinc/16/42/44/358164244.db2.gz DCGHWNDLZBSEBC-OAHLLOKOSA-N 0 3 279.336 1.858 20 10 CDCDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000038013888 359473513 /nfs/dbraw/zinc/47/35/13/359473513.db2.gz NOSXIRZXYAIUSC-NSHDSACASA-N 0 3 280.368 1.795 20 10 CDCDHN COc1cccc(C[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000230160468 360255067 /nfs/dbraw/zinc/25/50/67/360255067.db2.gz PNBLDFZUMZOITF-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000281567910 363813746 /nfs/dbraw/zinc/81/37/46/363813746.db2.gz KGXRHSIAQCVCIR-MNOVXSKESA-N 0 3 269.341 1.449 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271076292 364908556 /nfs/dbraw/zinc/90/85/56/364908556.db2.gz HAWVTBXKJQWNRF-SNVBAGLBSA-N 0 3 297.351 1.650 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271076292 364908561 /nfs/dbraw/zinc/90/85/61/364908561.db2.gz HAWVTBXKJQWNRF-SNVBAGLBSA-N 0 3 297.351 1.650 20 10 CDCDHN COc1ccc(O)c(CN(C)CCc2noc(C)n2)c1 ZINC000271705309 364994673 /nfs/dbraw/zinc/99/46/73/364994673.db2.gz FEZUYPQDKLWZRF-UHFFFAOYSA-N 0 3 277.324 1.767 20 10 CDCDHN CCCOc1ccc(CN(CC)[C@@H]2CCNC2=O)c(O)c1 ZINC000281640035 367665846 /nfs/dbraw/zinc/66/58/46/367665846.db2.gz AMUHQNJYMWVYNM-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000282489957 367910067 /nfs/dbraw/zinc/91/00/67/367910067.db2.gz HQLDOZVVKANRTR-WDEREUQCSA-N 0 3 268.332 1.825 20 10 CDCDHN CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294415010 371059711 /nfs/dbraw/zinc/05/97/11/371059711.db2.gz UABMHWDJIQCJLV-QWRGUYRKSA-N 0 3 250.342 1.794 20 10 CDCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000297933950 372038472 /nfs/dbraw/zinc/03/84/72/372038472.db2.gz XVAWBPZJBLATDO-HIFRSBDPSA-N 0 3 289.423 1.605 20 10 CDCDHN O=C1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000296785696 378747992 /nfs/dbraw/zinc/74/79/92/378747992.db2.gz KWTUHXGNJCPQPS-YPMHNXCESA-N 0 3 272.348 1.732 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296601536 391061806 /nfs/dbraw/zinc/06/18/06/391061806.db2.gz XSXRWIPIFHJVKT-UYJPIKCFSA-N 0 3 277.364 1.899 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000182325798 391232721 /nfs/dbraw/zinc/23/27/21/391232721.db2.gz WZIYGTDQVBVGKC-JTQLQIEISA-N 0 3 267.325 1.060 20 10 CDCDHN C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000125561320 391260198 /nfs/dbraw/zinc/26/01/98/391260198.db2.gz KNYOMDZVZUDCGJ-ZRNGKTOUSA-N 0 3 285.365 1.368 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000193496033 391340500 /nfs/dbraw/zinc/34/05/00/391340500.db2.gz HEZFFIGVOXXOGX-CMPLNLGQSA-N 0 3 279.336 1.832 20 10 CDCDHN Cc1cccc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000367719996 391430609 /nfs/dbraw/zinc/43/06/09/391430609.db2.gz JMAQGPKSPHAOAG-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289550435 391616194 /nfs/dbraw/zinc/61/61/94/391616194.db2.gz IMSLIXNICDAQQZ-WFASDCNBSA-N 0 3 294.370 1.826 20 10 CDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289550435 391616196 /nfs/dbraw/zinc/61/61/96/391616196.db2.gz IMSLIXNICDAQQZ-WFASDCNBSA-N 0 3 294.370 1.826 20 10 CDCDHN COc1cc(O)c(CN2CCCOCC2)cc1OC ZINC000362380616 391722239 /nfs/dbraw/zinc/72/22/39/391722239.db2.gz OLZDSCZCLZNLEJ-UHFFFAOYSA-N 0 3 267.325 1.632 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125488 171007950 /nfs/dbraw/zinc/00/79/50/171007950.db2.gz FQBKAHOVKJTUJR-UHFFFAOYSA-N 0 3 266.341 1.263 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125292 171007991 /nfs/dbraw/zinc/00/79/91/171007991.db2.gz LWUNMODWZCAITO-NSHDSACASA-N 0 3 280.368 1.824 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000038088864 174102741 /nfs/dbraw/zinc/10/27/41/174102741.db2.gz BHFOBKBDBYOUMK-LLVKDONJSA-N 0 3 252.358 1.831 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000155029989 261097271 /nfs/dbraw/zinc/09/72/71/261097271.db2.gz PORJMKGNSKHKNS-ZDUSSCGKSA-N 0 3 292.379 1.878 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000155029989 261097272 /nfs/dbraw/zinc/09/72/72/261097272.db2.gz PORJMKGNSKHKNS-ZDUSSCGKSA-N 0 3 292.379 1.878 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000193696429 278372581 /nfs/dbraw/zinc/37/25/81/278372581.db2.gz ZUIVLWCACXULQK-IINYFYTJSA-N 0 3 260.337 1.236 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000271805871 328197383 /nfs/dbraw/zinc/19/73/83/328197383.db2.gz JWAOUXAWSLIFSD-AWEZNQCLSA-N 0 3 264.369 1.511 20 10 CDCDHN Cc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCCF)c1 ZINC000282690632 328243268 /nfs/dbraw/zinc/24/32/68/328243268.db2.gz KGGVCYHHHXCTJN-WDEREUQCSA-N 0 3 268.332 1.825 20 10 CDCDHN CC(C)[C@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000116349589 329545035 /nfs/dbraw/zinc/54/50/35/329545035.db2.gz ROAMIVGINLILLP-LLVKDONJSA-N 0 3 253.298 1.227 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000230663290 333320125 /nfs/dbraw/zinc/32/01/25/333320125.db2.gz SZIVGHUJBGDCRM-QWRGUYRKSA-N 0 3 269.341 1.449 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000134136166 334081707 /nfs/dbraw/zinc/08/17/07/334081707.db2.gz JODAXZIZEXOPBO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000134136166 334081709 /nfs/dbraw/zinc/08/17/09/334081709.db2.gz JODAXZIZEXOPBO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000134136166 334081710 /nfs/dbraw/zinc/08/17/10/334081710.db2.gz JODAXZIZEXOPBO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000271171186 482832808 /nfs/dbraw/zinc/83/28/08/482832808.db2.gz IVFVUWDOIPTWAF-GFCCVEGCSA-N 0 3 298.408 1.201 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000271171186 482832813 /nfs/dbraw/zinc/83/28/13/482832813.db2.gz IVFVUWDOIPTWAF-GFCCVEGCSA-N 0 3 298.408 1.201 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000278772597 521652784 /nfs/dbraw/zinc/65/27/84/521652784.db2.gz UVPKOLINWAKSCN-UHFFFAOYSA-N 0 3 265.353 1.720 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@H](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000278911122 521881583 /nfs/dbraw/zinc/88/15/83/521881583.db2.gz SPMIUTXEDLZMBQ-SNVBAGLBSA-N 0 3 297.355 1.739 20 10 CDCDHN COc1c([O-])c(CN[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278911122 521881588 /nfs/dbraw/zinc/88/15/88/521881588.db2.gz SPMIUTXEDLZMBQ-SNVBAGLBSA-N 0 3 297.355 1.739 20 10 CDCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000278349033 522635081 /nfs/dbraw/zinc/63/50/81/522635081.db2.gz MMYYSWUWWYNZIX-JSGCOSHPSA-N 0 3 283.368 1.236 20 10 CDCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000278349033 522635092 /nfs/dbraw/zinc/63/50/92/522635092.db2.gz MMYYSWUWWYNZIX-JSGCOSHPSA-N 0 3 283.368 1.236 20 10 CDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000278707121 524033544 /nfs/dbraw/zinc/03/35/44/524033544.db2.gz OHUYZHIQRQCOMO-UKRRQHHQSA-N 0 3 295.379 1.238 20 10 CDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000278707121 524033546 /nfs/dbraw/zinc/03/35/46/524033546.db2.gz OHUYZHIQRQCOMO-UKRRQHHQSA-N 0 3 295.379 1.238 20 10 CDCDHN CN(C)C/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000266319064 524034173 /nfs/dbraw/zinc/03/41/73/524034173.db2.gz GHJGGAADKRSFIO-AATRIKPKSA-N 0 3 289.379 1.596 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290570334 524434028 /nfs/dbraw/zinc/43/40/28/524434028.db2.gz TVGBWIKMQLBWOX-LBPRGKRZSA-N 0 3 283.393 1.615 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCN2CC=CCC2)c1 ZINC000279771215 524750564 /nfs/dbraw/zinc/75/05/64/524750564.db2.gz KGWGXLFEYOXGSK-UHFFFAOYSA-N 0 3 262.353 1.752 20 10 CDCDHN COc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000131141618 525918329 /nfs/dbraw/zinc/91/83/29/525918329.db2.gz LILNWZSEKXJRPI-MLCYQJTMSA-N 0 3 271.382 1.600 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC000770675817 575484877 /nfs/dbraw/zinc/48/48/77/575484877.db2.gz GFNGZNWAKMVMJI-HNNXBMFYSA-N 0 3 279.336 1.594 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000771938471 575639379 /nfs/dbraw/zinc/63/93/79/575639379.db2.gz MAORWIQGENVGOH-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000771938471 575639382 /nfs/dbraw/zinc/63/93/82/575639382.db2.gz MAORWIQGENVGOH-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)[C@H](O)CO2 ZINC000768463075 576287217 /nfs/dbraw/zinc/28/72/17/576287217.db2.gz FWSXLVYIZYCDGO-GDBMZVCRSA-N 0 3 291.347 1.430 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CCOC3)C1)[C@H](O)CO2 ZINC000768463075 576287219 /nfs/dbraw/zinc/28/72/19/576287219.db2.gz FWSXLVYIZYCDGO-GDBMZVCRSA-N 0 3 291.347 1.430 20 10 CDCDHN CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894278958 618433556 /nfs/dbraw/zinc/43/35/56/618433556.db2.gz ZRQFEINWTWZBLL-CYBMUJFWSA-N 0 3 280.372 1.216 20 10 CDCDHN CC[C@H](C)C[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000911783037 629500410 /nfs/dbraw/zinc/50/04/10/629500410.db2.gz OYVKMDNEEZLCQI-FZMZJTMJSA-N 0 3 263.385 1.691 20 10 CDCDHN COc1cccc(CN2CCC[C@H](NC(C)=O)C2)c1O ZINC000153901392 631940515 /nfs/dbraw/zinc/94/05/15/631940515.db2.gz FMAJZOOIRGCWKN-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN Cc1cc([O-])c(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC001579638502 1172231015 /nfs/dbraw/zinc/23/10/15/1172231015.db2.gz ZTVMHHSFQFLUMJ-HZMBPMFUSA-N 0 3 284.787 1.902 20 10 CDCDHN CN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000704318732 751577142 /nfs/dbraw/zinc/57/71/42/751577142.db2.gz ZEHBYUUCTLSITL-LLVKDONJSA-N 0 3 252.289 1.242 20 10 CDCDHN COC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 ZINC000159219262 751832121 /nfs/dbraw/zinc/83/21/21/751832121.db2.gz MHBGHDFMLOHEEM-UHFFFAOYSA-N 0 3 279.336 1.786 20 10 CDCDHN O=C1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000846205486 751976384 /nfs/dbraw/zinc/97/63/84/751976384.db2.gz HPIDBMVZIILMPG-BXUZGUMPSA-N 0 3 286.375 1.980 20 10 CDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000841652793 752218916 /nfs/dbraw/zinc/21/89/16/752218916.db2.gz GDXRPQXUVBWIDI-STQMWFEESA-N 0 3 290.411 1.644 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC(F)F)c1 ZINC000828666692 749451340 /nfs/dbraw/zinc/45/13/40/749451340.db2.gz HNWOQRLJTUOSCX-GMSGAONNSA-N 0 3 288.294 1.561 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382568219 749452852 /nfs/dbraw/zinc/45/28/52/749452852.db2.gz OXWZXBQWGHHBON-FZMZJTMJSA-N 0 3 251.326 1.367 20 10 CDCDHN COc1cccc(CNCc2cc(C(N)=O)cs2)c1O ZINC000809739242 750086069 /nfs/dbraw/zinc/08/60/69/750086069.db2.gz BZJMNXOBQNJXHH-UHFFFAOYSA-N 0 3 292.360 1.851 20 10 CDCDHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870988587 750120939 /nfs/dbraw/zinc/12/09/39/750120939.db2.gz UEVWDSFQUIPSFY-PWSUYJOCSA-N 0 3 250.342 1.943 20 10 CDCDHN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242802 750377297 /nfs/dbraw/zinc/37/72/97/750377297.db2.gz VZHRZRUXCODZQE-UHFFFAOYSA-N 0 3 290.323 1.937 20 10 CDCDHN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242802 750377308 /nfs/dbraw/zinc/37/73/08/750377308.db2.gz VZHRZRUXCODZQE-UHFFFAOYSA-N 0 3 290.323 1.937 20 10 CDCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563331 750486643 /nfs/dbraw/zinc/48/66/43/750486643.db2.gz JNUSBHMXKXWREA-DOMZBBRYSA-N 0 3 265.353 1.842 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1(CO)CCOCC1 ZINC000827909979 750681483 /nfs/dbraw/zinc/68/14/83/750681483.db2.gz ZZPNIGGFVRCWAR-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1(CO)CCOCC1 ZINC000827909979 750681502 /nfs/dbraw/zinc/68/15/02/750681502.db2.gz ZZPNIGGFVRCWAR-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NC(C)C)c1O ZINC000846172956 750883178 /nfs/dbraw/zinc/88/31/78/750883178.db2.gz OEELWYGQZODDGT-GHMZBOCLSA-N 0 3 280.368 1.965 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000382576614 751059116 /nfs/dbraw/zinc/05/91/16/751059116.db2.gz UGCSOLDHPIGHFM-SMDDNHRTSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1cc(C)cc(CN2CC[C@@H](NC(C)=O)C2)c1O ZINC000817365701 751101065 /nfs/dbraw/zinc/10/10/65/751101065.db2.gz NFGCYVNIMVCBSV-CYBMUJFWSA-N 0 3 278.352 1.420 20 10 CDCDHN CCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839130972 751307209 /nfs/dbraw/zinc/30/72/09/751307209.db2.gz JXDSOIGDWJIWCL-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN CCN1C[C@@H](NCc2ccc(OC)c(C)c2)CC1=O ZINC000391479535 751312104 /nfs/dbraw/zinc/31/21/04/751312104.db2.gz MXMMDZQTWFLHFR-ZDUSSCGKSA-N 0 3 262.353 1.714 20 10 CDCDHN CCN(C)c1ccc(CN2CCCN(C=O)CC2)cc1 ZINC000839021715 751333906 /nfs/dbraw/zinc/33/39/06/751333906.db2.gz MEPHRHXIEJETJI-UHFFFAOYSA-N 0 3 275.396 1.807 20 10 CDCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563764 752697271 /nfs/dbraw/zinc/69/72/71/752697271.db2.gz PHGNIZAYXKGNCA-UKRRQHHQSA-N 0 3 265.353 1.842 20 10 CDCDHN CN(CC(=O)NCCc1ccc(N)cc1)CC(C)(C)C ZINC000876528733 752875302 /nfs/dbraw/zinc/87/53/02/752875302.db2.gz XJILKYOJPQFBHT-UHFFFAOYSA-N 0 3 277.412 1.905 20 10 CDCDHN C[C@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000866498576 753008116 /nfs/dbraw/zinc/00/81/16/753008116.db2.gz ZWPFGXVJYKYULQ-OHBODLIOSA-N 0 3 281.327 1.819 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817412271 753219979 /nfs/dbraw/zinc/21/99/79/753219979.db2.gz HMOXKOWUZKHURU-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817412271 753219987 /nfs/dbraw/zinc/21/99/87/753219987.db2.gz HMOXKOWUZKHURU-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN COC1(CO)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877481822 753252092 /nfs/dbraw/zinc/25/20/92/753252092.db2.gz UIIPAMRDOZAQSW-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922800081 753563156 /nfs/dbraw/zinc/56/31/56/753563156.db2.gz VAKUKDBDVMVDMD-UHFFFAOYSA-N 0 3 279.336 1.644 20 10 CDCDHN CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649166 1166391237 /nfs/dbraw/zinc/39/12/37/1166391237.db2.gz NESVDIXMSJOMGR-VXGBXAGGSA-N 0 3 253.342 1.829 20 10 CDCDHN C[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000879649626 1166391328 /nfs/dbraw/zinc/39/13/28/1166391328.db2.gz ZNMHAYLKFDOOPH-VXGBXAGGSA-N 0 3 283.393 1.868 20 10 CDCDHN CCc1nn(C)cc1CNCc1cc(OC)ccc1O ZINC000092393859 899847636 /nfs/dbraw/zinc/84/76/36/899847636.db2.gz NBVXWPKMIXUWMT-UHFFFAOYSA-N 0 3 275.352 1.987 20 10 CDCDHN C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269607503 903976248 /nfs/dbraw/zinc/97/62/48/903976248.db2.gz CGJHRDFAIIZPRC-UHFFFAOYSA-N 0 3 290.363 1.656 20 10 CDCDHN C[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269607503 903976256 /nfs/dbraw/zinc/97/62/56/903976256.db2.gz CGJHRDFAIIZPRC-UHFFFAOYSA-N 0 3 290.363 1.656 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1[O-] ZINC001203585672 919103763 /nfs/dbraw/zinc/10/37/63/919103763.db2.gz ROANJRAWUQCUSZ-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1[O-] ZINC001203585672 919103751 /nfs/dbraw/zinc/10/37/51/919103751.db2.gz ROANJRAWUQCUSZ-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c1[O-] ZINC001203585677 919105620 /nfs/dbraw/zinc/10/56/20/919105620.db2.gz ROANJRAWUQCUSZ-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1[O-] ZINC001203585677 919105628 /nfs/dbraw/zinc/10/56/28/919105628.db2.gz ROANJRAWUQCUSZ-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063528 936675846 /nfs/dbraw/zinc/67/58/46/936675846.db2.gz RCMGFEMMVWHPKP-OAHLLOKOSA-N 0 3 278.327 1.633 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063528 936675847 /nfs/dbraw/zinc/67/58/47/936675847.db2.gz RCMGFEMMVWHPKP-OAHLLOKOSA-N 0 3 278.327 1.633 20 10 CDCDHN CCN1CCN(c2ccc(CN3CCCO3)cc2)CC1 ZINC001140300800 936699136 /nfs/dbraw/zinc/69/91/36/936699136.db2.gz UOHCGTAMQFDJPJ-UHFFFAOYSA-N 0 3 275.396 1.966 20 10 CDCDHN O=C1NCCC2(CCN(Cc3cc(O)ccc3O)CC2)O1 ZINC001141161224 936823115 /nfs/dbraw/zinc/82/31/15/936823115.db2.gz PKGWJCKCWNYJTE-UHFFFAOYSA-N 0 3 292.335 1.562 20 10 CDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C3(N)CC3)C2)cc1 ZINC000818613428 930728439 /nfs/dbraw/zinc/72/84/39/930728439.db2.gz OOGTVCYIKLEVTN-LBPRGKRZSA-N 0 3 289.379 1.129 20 10 CDCDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC001116505062 937452583 /nfs/dbraw/zinc/45/25/83/937452583.db2.gz BJXFQCFLHWSQCB-ZDUSSCGKSA-N 0 3 292.379 1.979 20 10 CDCDHN Cc1cc(CN2C[C@@H]3COC[C@H](C2)N3C)ccc1N(C)C ZINC001275360639 931747430 /nfs/dbraw/zinc/74/74/30/931747430.db2.gz FFUWBTXJHRVXAD-IYBDPMFKSA-N 0 3 289.423 1.576 20 10 CDCDHN CC1(C)CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144500083 931857946 /nfs/dbraw/zinc/85/79/46/931857946.db2.gz OOJYHILYGJTWSP-UHFFFAOYSA-N 0 3 253.298 1.414 20 10 CDCDHN C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1O ZINC001276008707 932230820 /nfs/dbraw/zinc/23/08/20/932230820.db2.gz AZYGDONQWLSXPQ-AGUYFDCRSA-N 0 3 290.363 1.805 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)[C@@H](C)O ZINC000929753349 933264157 /nfs/dbraw/zinc/26/41/57/933264157.db2.gz NXBPINKQXZBPBB-RISCZKNCSA-N 0 3 253.342 1.346 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)[C@@H](C)O ZINC000929753349 933264164 /nfs/dbraw/zinc/26/41/64/933264164.db2.gz NXBPINKQXZBPBB-RISCZKNCSA-N 0 3 253.342 1.346 20 10 CDCDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264621 937916641 /nfs/dbraw/zinc/91/66/41/937916641.db2.gz TWLHJYZSFZWDSX-SRVKXCTJSA-N 0 3 261.369 1.409 20 10 CDCDHN CCOc1cccc(CN2CCc3nncn3CC2)c1O ZINC001203602874 939696304 /nfs/dbraw/zinc/69/63/04/939696304.db2.gz BAUHRNNFHNIXKH-UHFFFAOYSA-N 0 3 288.351 1.441 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001203940097 939715099 /nfs/dbraw/zinc/71/50/99/939715099.db2.gz IKLSFSQIDVGAIU-WBVHZDCISA-N 0 3 292.423 1.708 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001204276571 939751333 /nfs/dbraw/zinc/75/13/33/939751333.db2.gz NKCWNKAQHHWMSJ-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001204276571 939751334 /nfs/dbraw/zinc/75/13/34/939751334.db2.gz NKCWNKAQHHWMSJ-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277744 939751346 /nfs/dbraw/zinc/75/13/46/939751346.db2.gz KIEZTQONVKPOPT-LBPRGKRZSA-N 0 3 264.325 1.150 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277744 939751347 /nfs/dbraw/zinc/75/13/47/939751347.db2.gz KIEZTQONVKPOPT-LBPRGKRZSA-N 0 3 264.325 1.150 20 10 CDCDHN CC[N@H+](CCn1cccn1)Cc1ccc(O)cc1[O-] ZINC001204279086 939752067 /nfs/dbraw/zinc/75/20/67/939752067.db2.gz QBHFTQHUZBXKEJ-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN CC[N@@H+](CCn1cccn1)Cc1ccc(O)cc1[O-] ZINC001204279086 939752071 /nfs/dbraw/zinc/75/20/71/939752071.db2.gz QBHFTQHUZBXKEJ-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204279616 939752818 /nfs/dbraw/zinc/75/28/18/939752818.db2.gz CRCKOXWUXUHXLN-UHFFFAOYSA-N 0 3 286.331 1.799 20 10 CDCDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204279616 939752820 /nfs/dbraw/zinc/75/28/20/939752820.db2.gz CRCKOXWUXUHXLN-UHFFFAOYSA-N 0 3 286.331 1.799 20 10 CDCDHN COc1cc(CN2CC[C@@H](C)[C@H](O)CC2)cc(O)c1O ZINC001204341767 939757084 /nfs/dbraw/zinc/75/70/84/939757084.db2.gz GDIHGNXFLZJUSM-ZYHUDNBSSA-N 0 3 281.352 1.699 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400271318 940845850 /nfs/dbraw/zinc/84/58/50/940845850.db2.gz MSKFPYVCMZZENV-GHMZBOCLSA-N 0 3 284.381 1.077 20 10 CDCDHN CN1CC2(C1)CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232263636 943193868 /nfs/dbraw/zinc/19/38/68/943193868.db2.gz UGOMPBIZAWSXAT-UHFFFAOYSA-N 0 3 282.771 1.889 20 10 CDCDHN CN1CC2(C1)CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232263636 943193875 /nfs/dbraw/zinc/19/38/75/943193875.db2.gz UGOMPBIZAWSXAT-UHFFFAOYSA-N 0 3 282.771 1.889 20 10 CDCDHN CCO[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485249 943591913 /nfs/dbraw/zinc/59/19/13/943591913.db2.gz OEBPXDKVFBDQRQ-LLVKDONJSA-N 0 3 267.325 1.804 20 10 CDCDHN Cc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c([O-])cc1Br ZINC001236019250 944377165 /nfs/dbraw/zinc/37/71/65/944377165.db2.gz BXSISZIPFJSQHV-GWCFXTLKSA-N 0 3 297.196 1.996 20 10 CDCDHN [O-]c1c(CN2C[C@H]3C[NH2+]C[C@@H]32)ccc2ccccc21 ZINC001236288835 944447283 /nfs/dbraw/zinc/44/72/83/944447283.db2.gz JCDYEMOEMOPJRJ-HIFRSBDPSA-N 0 3 254.333 1.949 20 10 CDCDHN COc1cc(O)c(CN2CC(N3CCCC3)C2)cc1OC ZINC001236757098 944561125 /nfs/dbraw/zinc/56/11/25/944561125.db2.gz ZDWIYVUJWMEFQH-UHFFFAOYSA-N 0 3 292.379 1.689 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001236791087 944572069 /nfs/dbraw/zinc/57/20/69/944572069.db2.gz DDJIWYNAVSFJSX-JSGCOSHPSA-N 0 3 274.364 1.523 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001236791087 944572076 /nfs/dbraw/zinc/57/20/76/944572076.db2.gz DDJIWYNAVSFJSX-JSGCOSHPSA-N 0 3 274.364 1.523 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001238057166 945041524 /nfs/dbraw/zinc/04/15/24/945041524.db2.gz JDGGNEUNNLFSLS-NEPJUHHUSA-N 0 3 257.280 1.744 20 10 CDCDHN CC[N@H+](CCC(N)=O)Cc1cc(F)cc(C)c1[O-] ZINC001238061933 945046525 /nfs/dbraw/zinc/04/65/25/945046525.db2.gz LXKOULVZWNUPQT-UHFFFAOYSA-N 0 3 254.305 1.537 20 10 CDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(F)cc(C)c1[O-] ZINC001238061933 945046535 /nfs/dbraw/zinc/04/65/35/945046535.db2.gz LXKOULVZWNUPQT-UHFFFAOYSA-N 0 3 254.305 1.537 20 10 CDCDHN COC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC001262367299 946613063 /nfs/dbraw/zinc/61/30/63/946613063.db2.gz PWIYTLAJLVSLGX-JTQLQIEISA-N 0 3 274.311 1.128 20 10 CDCDHN CN1CCCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001262602536 946759222 /nfs/dbraw/zinc/75/92/22/946759222.db2.gz DXHQBBDYMVFBPV-AWEZNQCLSA-N 0 3 276.384 1.552 20 10 CDCDHN C[C@H](CC(=O)N1CCOCC1)[N@H+](C)Cc1ccccc1[O-] ZINC001256342501 948279078 /nfs/dbraw/zinc/27/90/78/948279078.db2.gz GPHDZMVLCBADBJ-CYBMUJFWSA-N 0 3 292.379 1.461 20 10 CDCDHN C[C@H](CC(=O)N1CCOCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC001256342501 948279085 /nfs/dbraw/zinc/27/90/85/948279085.db2.gz GPHDZMVLCBADBJ-CYBMUJFWSA-N 0 3 292.379 1.461 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000092763732 342418779 /nfs/dbraw/zinc/41/87/79/342418779.db2.gz SIRFXFRDQGYCDL-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000092763732 342418780 /nfs/dbraw/zinc/41/87/80/342418780.db2.gz SIRFXFRDQGYCDL-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219829037 346232374 /nfs/dbraw/zinc/23/23/74/346232374.db2.gz YNOJTPOEFWEWHQ-SNVBAGLBSA-N 0 3 271.158 1.688 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000179893950 357229849 /nfs/dbraw/zinc/22/98/49/357229849.db2.gz INYSQKPPCPQALE-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000179893950 357229855 /nfs/dbraw/zinc/22/98/55/357229855.db2.gz INYSQKPPCPQALE-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180744177 357286767 /nfs/dbraw/zinc/28/67/67/357286767.db2.gz OGFZDIDLVJVSQH-CFNZNRNTSA-N 0 3 290.363 1.664 20 10 CDCDHN CCN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000181034628 357305985 /nfs/dbraw/zinc/30/59/85/357305985.db2.gz IRJABVNMOJVKPA-XBXARRHUSA-N 0 3 290.363 1.712 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180189998 357251647 /nfs/dbraw/zinc/25/16/47/357251647.db2.gz IWSYANQPPFCVNO-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180189998 357251662 /nfs/dbraw/zinc/25/16/62/357251662.db2.gz IWSYANQPPFCVNO-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000038013694 359473407 /nfs/dbraw/zinc/47/34/07/359473407.db2.gz KNZKXEWYDJONOK-NSHDSACASA-N 0 3 280.368 1.795 20 10 CDCDHN CCC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000226251607 360363164 /nfs/dbraw/zinc/36/31/64/360363164.db2.gz IDRPDMMCZUCETE-AWEZNQCLSA-N 0 3 267.325 1.762 20 10 CDCDHN COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000281195087 363744322 /nfs/dbraw/zinc/74/43/22/363744322.db2.gz ISFNXYUNTPIMCT-LLVKDONJSA-N 0 3 289.759 1.541 20 10 CDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272840 364171299 /nfs/dbraw/zinc/17/12/99/364171299.db2.gz UJKLMLGARXONGB-IAQYHMDHSA-N 0 3 273.380 1.410 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)CC2(C)C)cc1OC ZINC000271770715 364997869 /nfs/dbraw/zinc/99/78/69/364997869.db2.gz GCMSXBHQDFSQDD-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1C ZINC000273612174 365513844 /nfs/dbraw/zinc/51/38/44/365513844.db2.gz WLIINLVSXIQXIO-HUUCEWRRSA-N 0 3 291.439 1.905 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H](CO)COC)cc1 ZINC000233452995 367591209 /nfs/dbraw/zinc/59/12/09/367591209.db2.gz YMVLCNPVMZKMNP-AWEZNQCLSA-N 0 3 266.385 1.630 20 10 CDCDHN CCCOc1ccc(CN(CC)[C@H]2CCNC2=O)c(O)c1 ZINC000281640032 367666187 /nfs/dbraw/zinc/66/61/87/367666187.db2.gz AMUHQNJYMWVYNM-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN CCOCc1cc(CNC[C@@H]2COCCN2)ccc1OC ZINC000530181246 368147296 /nfs/dbraw/zinc/14/72/96/368147296.db2.gz KGOIPGRRHSTPLL-OAHLLOKOSA-N 0 3 294.395 1.310 20 10 CDCDHN C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000293949672 390889736 /nfs/dbraw/zinc/88/97/36/390889736.db2.gz SAUZZKQVMDXOOV-HNNXBMFYSA-N 0 3 276.336 1.266 20 10 CDCDHN C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000293949672 390889737 /nfs/dbraw/zinc/88/97/37/390889737.db2.gz SAUZZKQVMDXOOV-HNNXBMFYSA-N 0 3 276.336 1.266 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC(F)F ZINC000345796866 391314692 /nfs/dbraw/zinc/31/46/92/391314692.db2.gz LFRANIFZEGBIMR-JTQLQIEISA-N 0 3 299.321 1.461 20 10 CDCDHN CCN1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000154006769 261086744 /nfs/dbraw/zinc/08/67/44/261086744.db2.gz KKJJXYWYUSYOOR-CYBMUJFWSA-N 0 3 292.379 1.631 20 10 CDCDHN CCCOc1ccc(C[NH2+]CC(=O)N(C)CC)c([O-])c1 ZINC000185183551 262045153 /nfs/dbraw/zinc/04/51/53/262045153.db2.gz IGAGYXWSIQAYPM-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000179028402 327798047 /nfs/dbraw/zinc/79/80/47/327798047.db2.gz IFVNAHBKJOBQHB-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608175 329262170 /nfs/dbraw/zinc/26/21/70/329262170.db2.gz XCADCVDNFNTSGM-MRVPVSSYSA-N 0 3 261.318 1.054 20 10 CDCDHN CCN(CC[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000227550813 333285616 /nfs/dbraw/zinc/28/56/16/333285616.db2.gz NUWXLGRLVGUHOR-UHFFFAOYSA-N 0 3 278.352 1.695 20 10 CDCDHN CCc1nc(CN[C@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000160415131 522353109 /nfs/dbraw/zinc/35/31/09/522353109.db2.gz YAIHUSUUQNGEOP-SECBINFHSA-N 0 3 276.340 1.932 20 10 CDCDHN CC[C@@H](CCO)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000094949757 522507897 /nfs/dbraw/zinc/50/78/97/522507897.db2.gz UCGYDWKDKCSMDJ-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(C)cc1[O-] ZINC000280284280 522832782 /nfs/dbraw/zinc/83/27/82/522832782.db2.gz YUDTVDUJROXTIO-GFCCVEGCSA-N 0 3 291.351 1.293 20 10 CDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN ZINC000040855898 523263175 /nfs/dbraw/zinc/26/31/75/523263175.db2.gz QAZXUICVRNQGEP-UHFFFAOYSA-N 0 3 261.369 1.594 20 10 CDCDHN COCCN(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000061375654 523610025 /nfs/dbraw/zinc/61/00/25/523610025.db2.gz IWYKDWUTUYAOCU-GFCCVEGCSA-N 0 3 252.358 1.621 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000277215040 523738996 /nfs/dbraw/zinc/73/89/96/523738996.db2.gz KQDXLUVYRRWZGB-GASCZTMLSA-N 0 3 264.369 1.598 20 10 CDCDHN Cc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000367719995 524377769 /nfs/dbraw/zinc/37/77/69/524377769.db2.gz JMAQGPKSPHAOAG-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000276784332 524407605 /nfs/dbraw/zinc/40/76/05/524407605.db2.gz JWEYWMKALRUUEB-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000276784332 524407615 /nfs/dbraw/zinc/40/76/15/524407615.db2.gz JWEYWMKALRUUEB-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@H+](C)C1CC1 ZINC000188388399 524722806 /nfs/dbraw/zinc/72/28/06/524722806.db2.gz GIMRKYOEJMZKKU-VIFPVBQESA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@@H+](C)C1CC1 ZINC000188388399 524722818 /nfs/dbraw/zinc/72/28/18/524722818.db2.gz GIMRKYOEJMZKKU-VIFPVBQESA-N 0 3 264.325 1.310 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000364972806 524744861 /nfs/dbraw/zinc/74/48/61/524744861.db2.gz LMVKYLSWDGQPGL-XEGUGMAKSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292815936 524745116 /nfs/dbraw/zinc/74/51/16/524745116.db2.gz PHTCXEHROAGXBF-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292815936 524745125 /nfs/dbraw/zinc/74/51/25/524745125.db2.gz PHTCXEHROAGXBF-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN CSCC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000040468623 525579437 /nfs/dbraw/zinc/57/94/37/525579437.db2.gz UPLCCINPHSDSOT-NSHDSACASA-N 0 3 268.382 1.431 20 10 CDCDHN C[C@@H]1OCC[C@@]12CN(Cc1ccccc1O)CCO2 ZINC000279748065 525586469 /nfs/dbraw/zinc/58/64/69/525586469.db2.gz YEWJWVWWIXNRNO-SWLSCSKDSA-N 0 3 263.337 1.772 20 10 CDCDHN Cc1c(CNCc2cc3c(cc2O)OCO3)cnn1C ZINC000156617162 525724681 /nfs/dbraw/zinc/72/46/81/525724681.db2.gz IEUJQHKGMLISIR-UHFFFAOYSA-N 0 3 275.308 1.453 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277525419 526371054 /nfs/dbraw/zinc/37/10/54/526371054.db2.gz UBCHEJMKDLJCCV-UHFFFAOYSA-N 0 3 262.353 1.347 20 10 CDCDHN CN1CCC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000731115697 575034400 /nfs/dbraw/zinc/03/44/00/575034400.db2.gz GKFFXCSCXNUJBQ-GFCCVEGCSA-N 0 3 277.368 1.533 20 10 CDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC000769534716 575357635 /nfs/dbraw/zinc/35/76/35/575357635.db2.gz YSWJQOOXXHPMQO-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2c([O-])cccc2OC)C1 ZINC000767736431 576225184 /nfs/dbraw/zinc/22/51/84/576225184.db2.gz FUFNKBKQHNLINM-UHFFFAOYSA-N 0 3 281.352 1.420 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c([O-])c1 ZINC000754084832 576878697 /nfs/dbraw/zinc/87/86/97/576878697.db2.gz CWBOXJBUNSQLTH-SNVBAGLBSA-N 0 3 287.381 1.314 20 10 CDCDHN C[NH+](C)C1CCN(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000748858311 576929722 /nfs/dbraw/zinc/92/97/22/576929722.db2.gz XVIMGSXQLOSREU-UHFFFAOYSA-N 0 3 297.424 1.210 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1CN(C)CCO1 ZINC000756758606 577003300 /nfs/dbraw/zinc/00/33/00/577003300.db2.gz INGXQHLLDKCYRM-FIXISWKDSA-N 0 3 282.359 1.901 20 10 CDCDHN CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253418 617391714 /nfs/dbraw/zinc/39/17/14/617391714.db2.gz SJDQLENLNUZNGU-CQSZACIVSA-N 0 3 278.400 1.627 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000035134283 621312591 /nfs/dbraw/zinc/31/25/91/621312591.db2.gz YPXJDYKWGLHDIL-CYBMUJFWSA-N 0 3 291.395 1.137 20 10 CDCDHN CCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902528920 624931867 /nfs/dbraw/zinc/93/18/67/624931867.db2.gz SUCJJDJVVATVMT-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN CCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902528920 624931870 /nfs/dbraw/zinc/93/18/70/624931870.db2.gz SUCJJDJVVATVMT-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN COC(=O)CC1([NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877158047 1165986026 /nfs/dbraw/zinc/98/60/26/1165986026.db2.gz ZOHNSWUJPBKURS-UHFFFAOYSA-N 0 3 293.363 1.903 20 10 CDCDHN CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(O)c1[O-] ZINC000126720236 1175486842 /nfs/dbraw/zinc/48/68/42/1175486842.db2.gz HVAYJPYYEVZZFM-ZDUSSCGKSA-N 0 3 252.314 1.201 20 10 CDCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC000154467357 1178144263 /nfs/dbraw/zinc/14/42/63/1178144263.db2.gz JDUNYHKKPZYOII-CYBMUJFWSA-N 0 3 251.326 1.833 20 10 CDCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC000154467357 1178144265 /nfs/dbraw/zinc/14/42/65/1178144265.db2.gz JDUNYHKKPZYOII-CYBMUJFWSA-N 0 3 251.326 1.833 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110623 754018291 /nfs/dbraw/zinc/01/82/91/754018291.db2.gz YPWRGACRPJOBCQ-AWEZNQCLSA-N 0 3 269.316 1.553 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)CO ZINC000824602688 754409412 /nfs/dbraw/zinc/40/94/12/754409412.db2.gz AOYKIODCFODPLJ-UHFFFAOYSA-N 0 3 253.342 1.899 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c([O-])c1 ZINC000840825329 754569279 /nfs/dbraw/zinc/56/92/79/754569279.db2.gz DWHHFRDGZMTSJF-RYUDHWBXSA-N 0 3 262.353 1.877 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1ccccc1[O-] ZINC000808436750 754669379 /nfs/dbraw/zinc/66/93/79/754669379.db2.gz BWACYLBWVRGNBG-NSHDSACASA-N 0 3 268.382 1.350 20 10 CDCDHN [NH3+]C[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843048733 754669403 /nfs/dbraw/zinc/66/94/03/754669403.db2.gz UXQDTTMFLIQZRX-SECBINFHSA-N 0 3 285.185 1.935 20 10 CDCDHN CC(C)(O)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839139718 754688186 /nfs/dbraw/zinc/68/81/86/754688186.db2.gz KFQUTQPVLVEHFY-UHFFFAOYSA-N 0 3 290.407 1.726 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000322527529 755007154 /nfs/dbraw/zinc/00/71/54/755007154.db2.gz OJCOQAGTHPIMIP-DTWKUNHWSA-N 0 3 254.305 1.707 20 10 CDCDHN CCCN(Cc1ccc(C)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC000877503631 755098470 /nfs/dbraw/zinc/09/84/70/755098470.db2.gz RRAPUHNURDWMKT-ZDUSSCGKSA-N 0 3 290.363 1.670 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2OCC)c([O-])c1 ZINC000825196597 755240708 /nfs/dbraw/zinc/24/07/08/755240708.db2.gz JVZPYOBMTRQPRG-UKRRQHHQSA-N 0 3 281.352 1.684 20 10 CDCDHN COc1cc(CNCc2cc3c(cc2O)OCO3)ccn1 ZINC000060942038 755297940 /nfs/dbraw/zinc/29/79/40/755297940.db2.gz KHSKKJCPOPSRPE-UHFFFAOYSA-N 0 3 288.303 1.814 20 10 CDCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886511449 755642545 /nfs/dbraw/zinc/64/25/45/755642545.db2.gz UHJDJKYGBABKAU-NWDGAFQWSA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H]1CN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000834567226 755736592 /nfs/dbraw/zinc/73/65/92/755736592.db2.gz ZTCFWUZVSKIQEC-TZMCWYRMSA-N 0 3 276.380 1.690 20 10 CDCDHN CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000391460577 755846251 /nfs/dbraw/zinc/84/62/51/755846251.db2.gz MWPNUIKFMFZNMO-UHFFFAOYSA-N 0 3 275.345 1.444 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876554519 755869603 /nfs/dbraw/zinc/86/96/03/755869603.db2.gz BUORQJUKAXCNNV-UHFFFAOYSA-N 0 3 262.353 1.659 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381947877 756001059 /nfs/dbraw/zinc/00/10/59/756001059.db2.gz ANNGUHRDPUEGJA-PWSUYJOCSA-N 0 3 262.353 1.882 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000840956989 756567200 /nfs/dbraw/zinc/56/72/00/756567200.db2.gz CGVKWOGCUICLJE-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000840956989 756567217 /nfs/dbraw/zinc/56/72/17/756567217.db2.gz CGVKWOGCUICLJE-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922101061 756748038 /nfs/dbraw/zinc/74/80/38/756748038.db2.gz STTAQZNFPQZCFN-ABAIWWIYSA-N 0 3 274.364 1.626 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)c(O)c1O ZINC000780907792 756854355 /nfs/dbraw/zinc/85/43/55/756854355.db2.gz XCRBJGLHPFPDPF-JTQLQIEISA-N 0 3 276.336 1.373 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000877044377 757018305 /nfs/dbraw/zinc/01/83/05/757018305.db2.gz ZZMGXVQSYNUGPE-OAHLLOKOSA-N 0 3 265.353 1.578 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1=CCCOC1 ZINC000853562311 757072113 /nfs/dbraw/zinc/07/21/13/757072113.db2.gz KFQCIOFPTRADTR-OAHLLOKOSA-N 0 3 291.347 1.597 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1=CCCOC1 ZINC000853562311 757072119 /nfs/dbraw/zinc/07/21/19/757072119.db2.gz KFQCIOFPTRADTR-OAHLLOKOSA-N 0 3 291.347 1.597 20 10 CDCDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CC1 ZINC000922076123 757137920 /nfs/dbraw/zinc/13/79/20/757137920.db2.gz NZGODLVWFWLCMX-UHFFFAOYSA-N 0 3 295.404 1.678 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000827827370 757158464 /nfs/dbraw/zinc/15/84/64/757158464.db2.gz SXGFGMZVOVIIBC-MGCOHNPYSA-N 0 3 257.717 1.667 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c([O-])c1 ZINC000840974277 757855265 /nfs/dbraw/zinc/85/52/65/757855265.db2.gz DJAXHIBWKBSIOA-NSHDSACASA-N 0 3 280.368 1.794 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CO[C@H]2CCOC2)c([O-])c1 ZINC000877092866 758009956 /nfs/dbraw/zinc/00/99/56/758009956.db2.gz MEYLTAZDDVSXIK-OCCSQVGLSA-N 0 3 265.353 1.984 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848565616 758051769 /nfs/dbraw/zinc/05/17/69/758051769.db2.gz YQANBCYRUVYYSU-MNOVXSKESA-N 0 3 272.352 1.729 20 10 CDCDHN Cc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c([O-])cc1Br ZINC001236289828 914884241 /nfs/dbraw/zinc/88/42/41/914884241.db2.gz IYAWIDHTKWZICG-PWSUYJOCSA-N 0 3 297.196 1.867 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236290506 914889636 /nfs/dbraw/zinc/88/96/36/914889636.db2.gz MJZHUTOLBMDNOT-ZYHUDNBSSA-N 0 3 252.745 1.758 20 10 CDCDHN O=C1COCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC001140063220 936675450 /nfs/dbraw/zinc/67/54/50/936675450.db2.gz NEUYJIVYYOEJHL-UHFFFAOYSA-N 0 3 294.326 1.012 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141031713 936796063 /nfs/dbraw/zinc/79/60/63/936796063.db2.gz IRJPNJFLTGRBGP-ZJUUUORDSA-N 0 3 267.325 1.365 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141031713 936796066 /nfs/dbraw/zinc/79/60/66/936796066.db2.gz IRJPNJFLTGRBGP-ZJUUUORDSA-N 0 3 267.325 1.365 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H]3OCC[C@H]32)c(OC)c1 ZINC001141026212 936793993 /nfs/dbraw/zinc/79/39/93/936793993.db2.gz HZHKCUGLJHPLEB-TZMCWYRMSA-N 0 3 279.336 1.773 20 10 CDCDHN Oc1ccc(O)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC001141158519 936822560 /nfs/dbraw/zinc/82/25/60/936822560.db2.gz CHPPDXFFQZIAPZ-UHFFFAOYSA-N 0 3 292.379 1.394 20 10 CDCDHN CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001169436164 928059019 /nfs/dbraw/zinc/05/90/19/928059019.db2.gz YWYUTRGICVTBIY-LLVKDONJSA-N 0 3 280.368 1.834 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267343 931718572 /nfs/dbraw/zinc/71/85/72/931718572.db2.gz MAGWAFHZXJIFGB-INIZCTEOSA-N 0 3 276.380 1.689 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267343 931718574 /nfs/dbraw/zinc/71/85/74/931718574.db2.gz MAGWAFHZXJIFGB-INIZCTEOSA-N 0 3 276.380 1.689 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1[O-] ZINC001203585496 939694311 /nfs/dbraw/zinc/69/43/11/939694311.db2.gz OBHFLDBUIXHXIP-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c1[O-] ZINC001203585496 939694313 /nfs/dbraw/zinc/69/43/13/939694313.db2.gz OBHFLDBUIXHXIP-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]1CN(Cc2ccc(O)c(O)c2)CC[C@]1(C)O ZINC001203875203 939710227 /nfs/dbraw/zinc/71/02/27/939710227.db2.gz KFXPEYZXWLRUSX-HZMBPMFUSA-N 0 3 251.326 1.691 20 10 CDCDHN CCO[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001204273790 939749968 /nfs/dbraw/zinc/74/99/68/939749968.db2.gz VEIHWIYUXDMRDS-BMFZPTHFSA-N 0 3 293.363 1.866 20 10 CDCDHN CCO[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001204273790 939749971 /nfs/dbraw/zinc/74/99/71/939749971.db2.gz VEIHWIYUXDMRDS-BMFZPTHFSA-N 0 3 293.363 1.866 20 10 CDCDHN CN1CC2(CC1=O)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277757 939751748 /nfs/dbraw/zinc/75/17/48/939751748.db2.gz KSQWAFLNDLFZLV-UHFFFAOYSA-N 0 3 290.363 1.542 20 10 CDCDHN C[NH+](C)CCN1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276538582 940211509 /nfs/dbraw/zinc/21/15/09/940211509.db2.gz WJRIXTLEBITEDN-UHFFFAOYSA-N 0 3 293.386 1.353 20 10 CDCDHN CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400171201 940843653 /nfs/dbraw/zinc/84/36/53/940843653.db2.gz KPAYRHARRNQMMV-WCQYABFASA-N 0 3 298.408 1.467 20 10 CDCDHN CN1C[C@H]2CC[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014851 941816319 /nfs/dbraw/zinc/81/63/19/941816319.db2.gz WBACVGZQPPXCLL-BETUJISGSA-N 0 3 260.337 1.741 20 10 CDCDHN NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277442475 942578810 /nfs/dbraw/zinc/57/88/10/942578810.db2.gz WBPYZATUPFJVFF-GFCCVEGCSA-N 0 3 260.337 1.480 20 10 CDCDHN Cc1cc(C)c(CN2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001231841700 943023742 /nfs/dbraw/zinc/02/37/42/943023742.db2.gz DIZZUWBZFBOHBL-NEPJUHHUSA-N 0 3 253.317 1.914 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCN2CC[C@@H]2C1 ZINC001231858726 943034107 /nfs/dbraw/zinc/03/41/07/943034107.db2.gz ZDOYXLDRKRXSOJ-OAHLLOKOSA-N 0 3 275.396 1.651 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001233483046 943591019 /nfs/dbraw/zinc/59/10/19/943591019.db2.gz MDPUPDFNNRMSKE-OTYXRUKQSA-N 0 3 265.309 1.414 20 10 CDCDHN Cc1cc(CN(C)C2C[NH2+]C2)c([O-])cc1Br ZINC001235924601 944315950 /nfs/dbraw/zinc/31/59/50/944315950.db2.gz UWEVJGPTSUBGRZ-UHFFFAOYSA-N 0 3 285.185 1.867 20 10 CDCDHN N[C@@]12CC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984636 944349212 /nfs/dbraw/zinc/34/92/12/944349212.db2.gz ABDJINIXDHPFSP-BXUZGUMPSA-N 0 3 262.309 1.014 20 10 CDCDHN N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984636 944349218 /nfs/dbraw/zinc/34/92/18/944349218.db2.gz ABDJINIXDHPFSP-BXUZGUMPSA-N 0 3 262.309 1.014 20 10 CDCDHN [NH3+][C@]12CC[C@H]1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001235988242 944352519 /nfs/dbraw/zinc/35/25/19/944352519.db2.gz FYDWAHBFBOMAGJ-ZANVPECISA-N 0 3 268.744 1.674 20 10 CDCDHN COc1cc(CN2CCOC[C@H](C)C2)c(O)c(OC)c1 ZINC001237671572 944917389 /nfs/dbraw/zinc/91/73/89/944917389.db2.gz COHBHEUBLWTGTQ-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc(CN2CC[C@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237675656 944918680 /nfs/dbraw/zinc/91/86/80/944918680.db2.gz CIXTVKRARCLKLX-PWSUYJOCSA-N 0 3 281.352 1.755 20 10 CDCDHN COCCN(CCOC)Cc1cc(OC)cc(OC)c1O ZINC001237674459 944918773 /nfs/dbraw/zinc/91/87/73/944918773.db2.gz IMTVOAXJUJDDKT-UHFFFAOYSA-N 0 3 299.367 1.504 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC001238057137 945040667 /nfs/dbraw/zinc/04/06/67/945040667.db2.gz IUAVFQXKFNFFEZ-SNVBAGLBSA-N 0 3 266.316 1.537 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC001238057137 945040673 /nfs/dbraw/zinc/04/06/73/945040673.db2.gz IUAVFQXKFNFFEZ-SNVBAGLBSA-N 0 3 266.316 1.537 20 10 CDCDHN CCOC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001258481313 948873637 /nfs/dbraw/zinc/87/36/37/948873637.db2.gz JOSLAVNVBNRJII-JTQLQIEISA-N 0 3 267.325 1.919 20 10 CDCDHN CC[C@@H](O)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001251782713 950817936 /nfs/dbraw/zinc/81/79/36/950817936.db2.gz PKYBOJMWDFZWQU-CQSZACIVSA-N 0 3 278.396 1.897 20 10 CDCDHN CC(C)(C)OC(=O)[C@@H](O)CN1CCc2cccc(O)c2C1 ZINC001253691157 952039685 /nfs/dbraw/zinc/03/96/85/952039685.db2.gz PHARMYNKWKGIQX-AWEZNQCLSA-N 0 3 293.363 1.453 20 10 CDCDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC001341266267 963343243 /nfs/dbraw/zinc/34/32/43/963343243.db2.gz UHQAMVQLRZRSMV-CYBMUJFWSA-N 0 3 277.368 1.676 20 10 CDCDHN C[C@@H](NC(=O)NCc1ccc(N)cc1)C1=CCN(C)CC1 ZINC001346405028 965085842 /nfs/dbraw/zinc/08/58/42/965085842.db2.gz HHSHVSQEJFQSQP-GFCCVEGCSA-N 0 3 288.395 1.718 20 10 CDCDHN Nc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 ZINC001356083535 969328667 /nfs/dbraw/zinc/32/86/67/969328667.db2.gz RMDQJHKPSRLCRU-UHFFFAOYSA-N 0 3 275.352 1.685 20 10 CDCDHN Cc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069922841 356832220 /nfs/dbraw/zinc/83/22/20/356832220.db2.gz ZRCRSEZERFSNMI-AWEZNQCLSA-N 0 3 284.363 1.626 20 10 CDCDHN Cc1cccc(CN2CCN(c3cccnn3)CC2)c1O ZINC000179972331 357235143 /nfs/dbraw/zinc/23/51/43/357235143.db2.gz HMPDLQZTTUJXTC-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC000271110787 364929003 /nfs/dbraw/zinc/92/90/03/364929003.db2.gz UESXROGWOUKAEA-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC000271110787 364929009 /nfs/dbraw/zinc/92/90/09/364929009.db2.gz UESXROGWOUKAEA-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](C(=O)OC)C2)c1O ZINC000271110787 364929015 /nfs/dbraw/zinc/92/90/15/364929015.db2.gz UESXROGWOUKAEA-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN Cc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271825195 365001613 /nfs/dbraw/zinc/00/16/13/365001613.db2.gz NUFZYLHRWJWNMR-UHFFFAOYSA-N 0 3 253.342 1.123 20 10 CDCDHN Cc1cccc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271825195 365001616 /nfs/dbraw/zinc/00/16/16/365001616.db2.gz NUFZYLHRWJWNMR-UHFFFAOYSA-N 0 3 253.342 1.123 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@@H]1O ZINC000271907401 365005806 /nfs/dbraw/zinc/00/58/06/365005806.db2.gz LUIQTNJOUVZVPH-GWCFXTLKSA-N 0 3 281.352 1.612 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@@H]1O ZINC000271907401 365005812 /nfs/dbraw/zinc/00/58/12/365005812.db2.gz LUIQTNJOUVZVPH-GWCFXTLKSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273345873 365487426 /nfs/dbraw/zinc/48/74/26/365487426.db2.gz ASRWQOFVKKZRRN-ZBEGNZNMSA-N 0 3 295.379 1.839 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1C ZINC000273524593 365503860 /nfs/dbraw/zinc/50/38/60/365503860.db2.gz UYCICBBZPFLJTO-IUODEOHRSA-N 0 3 265.353 1.811 20 10 CDCDHN Cc1ccc([C@H](C)NCc2cnnn2C)c(O)c1C ZINC000287133948 369097394 /nfs/dbraw/zinc/09/73/94/369097394.db2.gz AHJHJKJCKYIYLQ-NSHDSACASA-N 0 3 260.341 1.988 20 10 CDCDHN Cc1cc(CN(C)C(C)(C)C(N)=O)ccc1N(C)C ZINC000295667626 371397476 /nfs/dbraw/zinc/39/74/76/371397476.db2.gz IYKNOWCVRHUIRM-UHFFFAOYSA-N 0 3 263.385 1.757 20 10 CDCDHN CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121139984 390880546 /nfs/dbraw/zinc/88/05/46/390880546.db2.gz JIWSWQOTBZWNML-HNNXBMFYSA-N 0 3 297.395 1.627 20 10 CDCDHN CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121139984 390880550 /nfs/dbraw/zinc/88/05/50/390880550.db2.gz JIWSWQOTBZWNML-HNNXBMFYSA-N 0 3 297.395 1.627 20 10 CDCDHN CCOc1cccc(C[NH+]2CCC(C(=O)NC)CC2)c1[O-] ZINC000133344661 390903574 /nfs/dbraw/zinc/90/35/74/390903574.db2.gz WQQLZGOJZFVVHV-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[O-] ZINC000373738389 391130329 /nfs/dbraw/zinc/13/03/29/391130329.db2.gz OUOLCIRVARQHHR-FPMFFAJLSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[O-] ZINC000373738389 391130335 /nfs/dbraw/zinc/13/03/35/391130335.db2.gz OUOLCIRVARQHHR-FPMFFAJLSA-N 0 3 274.364 1.786 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000188486920 391437480 /nfs/dbraw/zinc/43/74/80/391437480.db2.gz JRGMZPUJSUUTPU-GFCCVEGCSA-N 0 3 263.385 1.709 20 10 CDCDHN COC[C@@H](CNCc1ccc(N(C)C)cc1)OC ZINC000227707551 392043485 /nfs/dbraw/zinc/04/34/85/392043485.db2.gz YPVWJZCQTALJIH-CQSZACIVSA-N 0 3 252.358 1.504 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000154994793 261096687 /nfs/dbraw/zinc/09/66/87/261096687.db2.gz OZIDUBZAWUBFLA-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000154994793 261096689 /nfs/dbraw/zinc/09/66/89/261096689.db2.gz OZIDUBZAWUBFLA-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN CC1(CO)CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000184075160 262007025 /nfs/dbraw/zinc/00/70/25/262007025.db2.gz UEGAEVULULYHHA-UHFFFAOYSA-N 0 3 279.336 1.715 20 10 CDCDHN CC1(CO)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000184075160 262007027 /nfs/dbraw/zinc/00/70/27/262007027.db2.gz UEGAEVULULYHHA-UHFFFAOYSA-N 0 3 279.336 1.715 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185392044 262052848 /nfs/dbraw/zinc/05/28/48/262052848.db2.gz IMOJVSFLALTSAO-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818270 263009073 /nfs/dbraw/zinc/00/90/73/263009073.db2.gz FJGPBZRYVXKKNR-GWCFXTLKSA-N 0 3 261.325 1.510 20 10 CDCDHN CCOc1cccc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000288492856 264683145 /nfs/dbraw/zinc/68/31/45/264683145.db2.gz RBSOALWBLRCWCT-UHFFFAOYSA-N 0 3 283.368 1.668 20 10 CDCDHN COc1ccc(N2CCCN(C(=O)C(C)(C)N)CC2)cc1 ZINC000165750298 264689709 /nfs/dbraw/zinc/68/97/09/264689709.db2.gz VQJKMSNKTVLCBB-UHFFFAOYSA-N 0 3 291.395 1.471 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367782779 267117221 /nfs/dbraw/zinc/11/72/21/267117221.db2.gz USRLQMUNUPEUGT-ITGUQSILSA-N 0 3 263.337 1.461 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367782779 267117222 /nfs/dbraw/zinc/11/72/22/267117222.db2.gz USRLQMUNUPEUGT-ITGUQSILSA-N 0 3 263.337 1.461 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000370400753 267316984 /nfs/dbraw/zinc/31/69/84/267316984.db2.gz RFKKDQCGENEPHY-JKSUJKDBSA-N 0 3 278.396 1.460 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000371326971 267390383 /nfs/dbraw/zinc/39/03/83/267390383.db2.gz LABQXJVSKQDJTL-NVXWUHKLSA-N 0 3 290.407 1.732 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373143295 267643463 /nfs/dbraw/zinc/64/34/63/267643463.db2.gz WSJIKSSHOUMUGV-UKRRQHHQSA-N 0 3 281.327 1.959 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529668320 281351763 /nfs/dbraw/zinc/35/17/63/281351763.db2.gz JJBMQEJEWVOYDJ-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529668320 281351764 /nfs/dbraw/zinc/35/17/64/281351764.db2.gz JJBMQEJEWVOYDJ-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000271805873 328197287 /nfs/dbraw/zinc/19/72/87/328197287.db2.gz JWAOUXAWSLIFSD-CQSZACIVSA-N 0 3 264.369 1.511 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219056909 329144696 /nfs/dbraw/zinc/14/46/96/329144696.db2.gz ONVOSZUYPBTACD-MFKMUULPSA-N 0 3 255.383 1.903 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000219057566 329144716 /nfs/dbraw/zinc/14/47/16/329144716.db2.gz JWVBYFWIJHJNMB-RISCZKNCSA-N 0 3 268.426 1.955 20 10 CDCDHN COc1cc(Cl)cc(CNCC(=O)N(C)C)c1O ZINC000228677425 329344340 /nfs/dbraw/zinc/34/43/40/329344340.db2.gz QVZZLUVRJZVZML-UHFFFAOYSA-N 0 3 272.732 1.232 20 10 CDCDHN CCN(Cc1cc(C)c(C)cc1O)[C@H]1CCNC1=O ZINC000281821999 517649245 /nfs/dbraw/zinc/64/92/45/517649245.db2.gz RDDTYWWLCSTXSO-ZDUSSCGKSA-N 0 3 262.353 1.719 20 10 CDCDHN CCCNC(=O)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000036780862 519879959 /nfs/dbraw/zinc/87/99/59/519879959.db2.gz PBCXUKJLYXUTKK-LBPRGKRZSA-N 0 3 250.342 1.959 20 10 CDCDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000188501302 520214428 /nfs/dbraw/zinc/21/44/28/520214428.db2.gz UDTAXLMLRLNFGU-QWRGUYRKSA-N 0 3 280.368 1.918 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])[C@@H]1OC ZINC000274847457 520371244 /nfs/dbraw/zinc/37/12/44/520371244.db2.gz AIXZQKBFTZGVBO-NFAWXSAZSA-N 0 3 265.353 1.983 20 10 CDCDHN COC[C@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000234801252 522685853 /nfs/dbraw/zinc/68/58/53/522685853.db2.gz WGZWVZVAKOLAQQ-HNNXBMFYSA-N 0 3 278.396 1.774 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000094617779 525392175 /nfs/dbraw/zinc/39/21/75/525392175.db2.gz LWHQWTDZQCJYOM-UWVGGRQHSA-N 0 3 287.356 1.617 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H](OC)C2CC2)c1[O-] ZINC000292946506 526019681 /nfs/dbraw/zinc/01/96/81/526019681.db2.gz IIGVDYMIDDBWAC-ZDUSSCGKSA-N 0 3 251.326 1.915 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000734847048 575387553 /nfs/dbraw/zinc/38/75/53/575387553.db2.gz ZWQGJKWFUQBOJT-CQSZACIVSA-N 0 3 269.341 1.278 20 10 CDCDHN CCN(C)c1ccc(CN2CCC(NC(N)=O)CC2)cc1 ZINC000773754962 575837839 /nfs/dbraw/zinc/83/78/39/575837839.db2.gz QCZLXFGNBQBNAS-UHFFFAOYSA-N 0 3 290.411 1.775 20 10 CDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776837 576228635 /nfs/dbraw/zinc/22/86/35/576228635.db2.gz YGEZXXFGELJUCG-TXEJJXNPSA-N 0 3 292.379 1.629 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768448880 576284653 /nfs/dbraw/zinc/28/46/53/576284653.db2.gz YBCNJPLIOFDOBU-QMTHXVAHSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768448880 576284654 /nfs/dbraw/zinc/28/46/54/576284654.db2.gz YBCNJPLIOFDOBU-QMTHXVAHSA-N 0 3 279.336 1.429 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc(OC)c(C)cc1[O-] ZINC000768461839 576286321 /nfs/dbraw/zinc/28/63/21/576286321.db2.gz FZPPDNVAXLQVFT-UHFFFAOYSA-N 0 3 280.368 1.667 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(OC)c(C)cc1[O-] ZINC000768461839 576286323 /nfs/dbraw/zinc/28/63/23/576286323.db2.gz FZPPDNVAXLQVFT-UHFFFAOYSA-N 0 3 280.368 1.667 20 10 CDCDHN C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462443 576286684 /nfs/dbraw/zinc/28/66/84/576286684.db2.gz LMTKLDPXELFCSG-HZMBPMFUSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@H]1COCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462443 576286687 /nfs/dbraw/zinc/28/66/87/576286687.db2.gz LMTKLDPXELFCSG-HZMBPMFUSA-N 0 3 279.336 1.429 20 10 CDCDHN O=C(NCCCN1CCC(O)CC1)C1=CC(=O)CS1 ZINC000761575293 576583547 /nfs/dbraw/zinc/58/35/47/576583547.db2.gz WQIDVVKCXKXAFP-UHFFFAOYSA-N 0 3 284.381 1.030 20 10 CDCDHN O=C(NCCC[NH+]1CCC(O)CC1)c1cc([O-])cs1 ZINC000761575293 576583549 /nfs/dbraw/zinc/58/35/49/576583549.db2.gz WQIDVVKCXKXAFP-UHFFFAOYSA-N 0 3 284.381 1.030 20 10 CDCDHN CO[C@]1(CNCc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000763481004 576738938 /nfs/dbraw/zinc/73/89/38/576738938.db2.gz RTDFIKKJCWMYPH-HNNXBMFYSA-N 0 3 282.359 1.787 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756505664 576992709 /nfs/dbraw/zinc/99/27/09/576992709.db2.gz VDKZSKKQMFTGRT-PSASIEDQSA-N 0 3 287.356 1.714 20 10 CDCDHN CN(C)c1ccc(CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000753587570 577178533 /nfs/dbraw/zinc/17/85/33/577178533.db2.gz PIROSYFMXZMNIS-UHFFFAOYSA-N 0 3 289.379 1.827 20 10 CDCDHN COc1ccc(CN2CCOC[C@H](C)C2)c(O)c1OC ZINC000892077813 617467326 /nfs/dbraw/zinc/46/73/26/617467326.db2.gz ZBUOQSQCQONAOO-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893320783 617568053 /nfs/dbraw/zinc/56/80/53/617568053.db2.gz QZGVCPPZCJCYBW-VIFPVBQESA-N 0 3 282.340 1.024 20 10 CDCDHN CCS(=O)(=O)NCCNCc1ccc(N(C)C)cc1C ZINC000840933552 618140998 /nfs/dbraw/zinc/14/09/98/618140998.db2.gz PSGZNYPPYDXBRK-UHFFFAOYSA-N 0 3 299.440 1.090 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@H](C)[C@H](O)C2)c1O ZINC000897681481 621070119 /nfs/dbraw/zinc/07/01/19/621070119.db2.gz VWFSETCYZZBRGY-GZMMTYOYSA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897681481 621070122 /nfs/dbraw/zinc/07/01/22/621070122.db2.gz VWFSETCYZZBRGY-GZMMTYOYSA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897681481 621070125 /nfs/dbraw/zinc/07/01/25/621070125.db2.gz VWFSETCYZZBRGY-GZMMTYOYSA-N 0 3 271.744 1.867 20 10 CDCDHN CC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000153814433 631896849 /nfs/dbraw/zinc/89/68/49/631896849.db2.gz YXCROCYBKIDWGV-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(O)c1[O-] ZINC000126720017 1175486727 /nfs/dbraw/zinc/48/67/27/1175486727.db2.gz HVAYJPYYEVZZFM-CYBMUJFWSA-N 0 3 252.314 1.201 20 10 CDCDHN COc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787424193 758869366 /nfs/dbraw/zinc/86/93/66/758869366.db2.gz POVVDFWCYQWMTK-PGUXBMHVSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787424193 758869367 /nfs/dbraw/zinc/86/93/67/758869367.db2.gz POVVDFWCYQWMTK-PGUXBMHVSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787424193 758869368 /nfs/dbraw/zinc/86/93/68/758869368.db2.gz POVVDFWCYQWMTK-PGUXBMHVSA-N 0 3 290.363 1.487 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000825196975 758952073 /nfs/dbraw/zinc/95/20/73/758952073.db2.gz RRKYNHGSGHPBLC-DGCLKSJQSA-N 0 3 255.289 1.425 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC[C@H]1C ZINC000840942482 758973488 /nfs/dbraw/zinc/97/34/88/758973488.db2.gz UMAHFRWLGMITAH-IAQYHMDHSA-N 0 3 275.396 1.675 20 10 CDCDHN C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834623943 768832042 /nfs/dbraw/zinc/83/20/42/768832042.db2.gz CLLFXOJVKDAADT-CMPLNLGQSA-N 0 3 283.393 1.792 20 10 CDCDHN CCN(C)c1ccc(Cn2cc([C@H](C)N)nn2)cc1 ZINC000881313287 768884222 /nfs/dbraw/zinc/88/42/22/768884222.db2.gz HDAYRDZIBLBMPK-NSHDSACASA-N 0 3 259.357 1.802 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000780916296 768970229 /nfs/dbraw/zinc/97/02/29/768970229.db2.gz VCRMYRKNITVTON-GFCCVEGCSA-N 0 3 292.379 1.866 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c([O-])c1O ZINC000780916296 768970236 /nfs/dbraw/zinc/97/02/36/768970236.db2.gz VCRMYRKNITVTON-GFCCVEGCSA-N 0 3 292.379 1.866 20 10 CDCDHN COC(=O)N1CC(N[C@H](C)c2cccc(OC)c2O)C1 ZINC000846157791 769063010 /nfs/dbraw/zinc/06/30/10/769063010.db2.gz XHGHTUPAXXETBK-SECBINFHSA-N 0 3 280.324 1.502 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000883379114 769091320 /nfs/dbraw/zinc/09/13/20/769091320.db2.gz NSMVRYAPPFCRTK-AULYBMBSSA-N 0 3 299.392 1.456 20 10 CDCDHN NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834906401 769358187 /nfs/dbraw/zinc/35/81/87/769358187.db2.gz DSQSEKYMPUGOCI-WOPDTQHZSA-N 0 3 260.337 1.623 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000778193313 769709333 /nfs/dbraw/zinc/70/93/33/769709333.db2.gz ZKLDBUBTNUZFQI-STQMWFEESA-N 0 3 251.326 1.650 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC000158604649 769857453 /nfs/dbraw/zinc/85/74/53/769857453.db2.gz HAZOVHSQRMUGPR-UHFFFAOYSA-N 0 3 275.396 1.853 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052045 770073436 /nfs/dbraw/zinc/07/34/36/770073436.db2.gz PAGJPOKFCZGIDL-KOLCDFICSA-N 0 3 295.339 1.478 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877035657 770076376 /nfs/dbraw/zinc/07/63/76/770076376.db2.gz ZPNJJNIBVSQWSX-AWEZNQCLSA-N 0 3 253.342 1.578 20 10 CDCDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000323869551 770081462 /nfs/dbraw/zinc/08/14/62/770081462.db2.gz SVXOKGRUYQLTCM-JKSUJKDBSA-N 0 3 276.380 1.526 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c([O-])c1 ZINC000877367102 770855235 /nfs/dbraw/zinc/85/52/35/770855235.db2.gz BOSDVCWPLNMXSS-HNNXBMFYSA-N 0 3 279.380 1.968 20 10 CDCDHN COc1ccc(CNC(=O)[C@H](N)CC(C)C)c(O)c1 ZINC000832178398 771033463 /nfs/dbraw/zinc/03/34/63/771033463.db2.gz QGIXSALHEKBMSC-GFCCVEGCSA-N 0 3 266.341 1.390 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000134226193 771078278 /nfs/dbraw/zinc/07/82/78/771078278.db2.gz QKNLLJJZALXFJN-AWEZNQCLSA-N 0 3 273.332 1.922 20 10 CDCDHN COC1(C[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000180860580 771199601 /nfs/dbraw/zinc/19/96/01/771199601.db2.gz YJJWBSXYGYIGBN-UHFFFAOYSA-N 0 3 269.316 1.817 20 10 CDCDHN COC(=O)N1CC(C)([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000813328339 771386799 /nfs/dbraw/zinc/38/67/99/771386799.db2.gz PDSUYSZZZWSDOM-UHFFFAOYSA-N 0 3 268.288 1.462 20 10 CDCDHN CCN(CC)CC(=O)NCc1cc(C)ccc1O ZINC000862759551 772078027 /nfs/dbraw/zinc/07/80/27/772078027.db2.gz GDTURZNNJVZKDN-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c([O-])c1 ZINC000840962717 772536114 /nfs/dbraw/zinc/53/61/14/772536114.db2.gz MYNILTUHVCGEPW-ZFWWWQNUSA-N 0 3 295.379 1.668 20 10 CDCDHN C[C@H]([NH2+]CCN1CCNC1=O)c1cc(F)ccc1[O-] ZINC000886744646 772687541 /nfs/dbraw/zinc/68/75/41/772687541.db2.gz COCJRMJNNOQFBN-VIFPVBQESA-N 0 3 267.304 1.207 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2OC)c([O-])c1 ZINC000839193033 772785843 /nfs/dbraw/zinc/78/58/43/772785843.db2.gz MXJLTXVHRNTARG-OCCSQVGLSA-N 0 3 267.325 1.294 20 10 CDCDHN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)CN1 ZINC000841955450 772789608 /nfs/dbraw/zinc/78/96/08/772789608.db2.gz CGISXNWXPZZNGF-RYUDHWBXSA-N 0 3 276.384 1.203 20 10 CDCDHN CC[NH2+]CCNCc1cc(Br)ccc1[O-] ZINC000841037719 772989667 /nfs/dbraw/zinc/98/96/67/772989667.db2.gz UCAZDFARTVHDOR-UHFFFAOYSA-N 0 3 273.174 1.854 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CC(C)C ZINC000882916557 773019952 /nfs/dbraw/zinc/01/99/52/773019952.db2.gz RHBZTPRDNCLRCB-LLVKDONJSA-N 0 3 253.342 1.897 20 10 CDCDHN C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790562975 773025686 /nfs/dbraw/zinc/02/56/86/773025686.db2.gz RVRULNGLWCRTQK-LLVKDONJSA-N 0 3 264.325 1.168 20 10 CDCDHN Cc1cccc(O)c1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000876655076 773143380 /nfs/dbraw/zinc/14/33/80/773143380.db2.gz VMXMMJCIFGOEHG-GFCCVEGCSA-N 0 3 260.337 1.507 20 10 CDCDHN COCCn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000793386321 773438091 /nfs/dbraw/zinc/43/80/91/773438091.db2.gz LKOOFDZVENCJNE-UHFFFAOYSA-N 0 3 291.351 1.534 20 10 CDCDHN Cc1cc(CN2CCOC[C@](C)(O)C2)ccc1N(C)C ZINC001139669761 936327212 /nfs/dbraw/zinc/32/72/12/936327212.db2.gz MGBPZOMLWNLOOU-MRXNPFEDSA-N 0 3 278.396 1.644 20 10 CDCDHN O=C1NC2(CO1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204280391 916619998 /nfs/dbraw/zinc/61/99/98/916619998.db2.gz KEMYMQOBLWLEEK-UHFFFAOYSA-N 0 3 278.308 1.172 20 10 CDCDHN Cc1ccc(C[N@H+](C)CCC2OCCO2)c([O-])c1 ZINC001140950660 936783126 /nfs/dbraw/zinc/78/31/26/936783126.db2.gz AYVKJMUUCUDHSJ-UHFFFAOYSA-N 0 3 251.326 1.895 20 10 CDCDHN Cc1ccc(C[N@@H+](C)CCC2OCCO2)c([O-])c1 ZINC001140950660 936783128 /nfs/dbraw/zinc/78/31/28/936783128.db2.gz AYVKJMUUCUDHSJ-UHFFFAOYSA-N 0 3 251.326 1.895 20 10 CDCDHN C[C@H]1C[C@H](O)CCN1Cc1ccc2c(c1)OCCN2C ZINC001141144312 936819461 /nfs/dbraw/zinc/81/94/61/936819461.db2.gz ZDFDUQBPOCDHKC-GXTWGEPZSA-N 0 3 276.380 1.860 20 10 CDCDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC001119649359 925458370 /nfs/dbraw/zinc/45/83/70/925458370.db2.gz XIRBXMZOWHYEFO-CQSZACIVSA-N 0 3 292.379 1.979 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169626582 928250285 /nfs/dbraw/zinc/25/02/85/928250285.db2.gz SHXYDGGSFDJNEQ-CQSZACIVSA-N 0 3 274.364 1.761 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169626582 928250298 /nfs/dbraw/zinc/25/02/98/928250298.db2.gz SHXYDGGSFDJNEQ-CQSZACIVSA-N 0 3 274.364 1.761 20 10 CDCDHN C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C ZINC001155891756 937685579 /nfs/dbraw/zinc/68/55/79/937685579.db2.gz FHVYXXMJXIMPIC-CABZTGNLSA-N 0 3 289.339 1.671 20 10 CDCDHN O=C1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203561764 939693259 /nfs/dbraw/zinc/69/32/59/939693259.db2.gz ZBXQUVWZUGZMHF-UHFFFAOYSA-N 0 3 260.337 1.637 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])CC12CC2 ZINC001203562079 939693265 /nfs/dbraw/zinc/69/32/65/939693265.db2.gz DBLOXXOJXGAMDY-GFCCVEGCSA-N 0 3 261.321 1.777 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])CC12CC2 ZINC001203562079 939693267 /nfs/dbraw/zinc/69/32/67/939693267.db2.gz DBLOXXOJXGAMDY-GFCCVEGCSA-N 0 3 261.321 1.777 20 10 CDCDHN CC1(C(N)=O)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881065 939711560 /nfs/dbraw/zinc/71/15/60/939711560.db2.gz DCXBERBFVWHDJQ-UHFFFAOYSA-N 0 3 264.325 1.185 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204274300 939749940 /nfs/dbraw/zinc/74/99/40/939749940.db2.gz MWFDZVFKCUPSOH-NHAGDIPZSA-N 0 3 290.363 1.300 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204274300 939749944 /nfs/dbraw/zinc/74/99/44/939749944.db2.gz MWFDZVFKCUPSOH-NHAGDIPZSA-N 0 3 290.363 1.300 20 10 CDCDHN N[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1F ZINC001204825102 939794706 /nfs/dbraw/zinc/79/47/06/939794706.db2.gz ZUDOAVPYEPWYAB-CABCVRRESA-N 0 3 297.349 1.143 20 10 CDCDHN C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001219659334 941373156 /nfs/dbraw/zinc/37/31/56/941373156.db2.gz WDZBYOZLUPTUFH-NXEZZACHSA-N 0 3 264.325 1.073 20 10 CDCDHN CN(C)c1ccc(CN2CCC(=O)N(C)CC2)c(O)c1 ZINC001232838316 943416292 /nfs/dbraw/zinc/41/62/92/943416292.db2.gz DPMRFVOBNGDPAB-UHFFFAOYSA-N 0 3 277.368 1.122 20 10 CDCDHN C[C@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010886 943461674 /nfs/dbraw/zinc/46/16/74/943461674.db2.gz WKSJYBQCDRRVMR-BONVTDFDSA-N 0 3 281.352 1.786 20 10 CDCDHN Oc1cc(CN2CCC3(C2)CCOCC3)cc(O)c1O ZINC001233011477 943462288 /nfs/dbraw/zinc/46/22/88/943462288.db2.gz AFLWUYCGSZFTCZ-UHFFFAOYSA-N 0 3 279.336 1.806 20 10 CDCDHN CCN1CCN(c2ccc(O[C@@H](C)CON)cc2)CC1 ZINC001234662358 943933482 /nfs/dbraw/zinc/93/34/82/943933482.db2.gz ZMSYWWCWWQVGCR-ZDUSSCGKSA-N 0 3 279.384 1.486 20 10 CDCDHN O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc([O-])c(F)c1 ZINC000722226958 944169264 /nfs/dbraw/zinc/16/92/64/944169264.db2.gz XTZBJKOOHMWWTQ-UHFFFAOYSA-N 0 3 288.344 1.273 20 10 CDCDHN [NH3+][C@]12CC[C@@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001235983185 944346440 /nfs/dbraw/zinc/34/64/40/944346440.db2.gz YLPSOXWJGAQCOP-MFKMUULPSA-N 0 3 252.745 1.969 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001238071017 945050776 /nfs/dbraw/zinc/05/07/76/945050776.db2.gz QXPSPLGRYJMBEQ-GXFFZTMASA-N 0 3 278.327 1.408 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001238071017 945050782 /nfs/dbraw/zinc/05/07/82/945050782.db2.gz QXPSPLGRYJMBEQ-GXFFZTMASA-N 0 3 278.327 1.408 20 10 CDCDHN Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cn1 ZINC001261276322 946031301 /nfs/dbraw/zinc/03/13/01/946031301.db2.gz DSGAJOAWCHRJFS-HIFRSBDPSA-N 0 3 298.390 1.982 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001249173132 949442201 /nfs/dbraw/zinc/44/22/01/949442201.db2.gz QWKXKRHGMKAACR-FZMZJTMJSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001249173132 949442222 /nfs/dbraw/zinc/44/22/22/949442222.db2.gz QWKXKRHGMKAACR-FZMZJTMJSA-N 0 3 293.363 1.310 20 10 CDCDHN CC1(C)C=Cc2c(O)c(CN3CC(C(N)=O)C3)ccc2O1 ZINC001249252692 949484910 /nfs/dbraw/zinc/48/49/10/949484910.db2.gz RDHQKTXMXARQRN-UHFFFAOYSA-N 0 3 288.347 1.494 20 10 CDCDHN COc1cccc([C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])c1 ZINC001250730600 950332855 /nfs/dbraw/zinc/33/28/55/950332855.db2.gz LWVMRNGWAJSDSJ-MRXNPFEDSA-N 0 3 289.331 1.930 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)O ZINC001307500785 956413142 /nfs/dbraw/zinc/41/31/42/956413142.db2.gz GJYHYEBSDREUAV-CQSZACIVSA-N 0 3 267.369 1.736 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)O ZINC001307500785 956413148 /nfs/dbraw/zinc/41/31/48/956413148.db2.gz GJYHYEBSDREUAV-CQSZACIVSA-N 0 3 267.369 1.736 20 10 CDCDHN CN1CCN(c2ccc(CNC3(C)COC3)cc2F)CC1 ZINC001330652941 956542054 /nfs/dbraw/zinc/54/20/54/956542054.db2.gz SXTXTAJDXWULSG-UHFFFAOYSA-N 0 3 293.386 1.456 20 10 CDCDHN C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccccc1[O-] ZINC001320137183 958965167 /nfs/dbraw/zinc/96/51/67/958965167.db2.gz LMTOSMVLHCIQRZ-ZDUSSCGKSA-N 0 3 278.396 1.747 20 10 CDCDHN CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001344820650 964445193 /nfs/dbraw/zinc/44/51/93/964445193.db2.gz BHDSMHSUNNPGQF-CABZTGNLSA-N 0 3 266.316 1.536 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000180829481 357290246 /nfs/dbraw/zinc/29/02/46/357290246.db2.gz LTUUVDDESXPPSX-LBPRGKRZSA-N 0 3 257.330 1.489 20 10 CDCDHN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C1CC1 ZINC000181029817 357304427 /nfs/dbraw/zinc/30/44/27/357304427.db2.gz YSDMKGYLYUXTBF-SOZJPDODSA-N 0 3 290.363 1.710 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000180377472 357265983 /nfs/dbraw/zinc/26/59/83/357265983.db2.gz DDGBCKLJRSAALN-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)c1 ZINC000180377472 357265986 /nfs/dbraw/zinc/26/59/86/357265986.db2.gz DDGBCKLJRSAALN-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)O)c1[O-] ZINC000187820363 357811293 /nfs/dbraw/zinc/81/12/93/357811293.db2.gz QGROARIKCMNXSX-MRVPVSSYSA-N 0 3 259.733 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)O)c1[O-] ZINC000187820363 357811294 /nfs/dbraw/zinc/81/12/94/357811294.db2.gz QGROARIKCMNXSX-MRVPVSSYSA-N 0 3 259.733 1.867 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000294459234 199048647 /nfs/dbraw/zinc/04/86/47/199048647.db2.gz WCSALJUXPZPOMH-XQQFMLRXSA-N 0 3 265.353 1.891 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000294721091 199150970 /nfs/dbraw/zinc/15/09/70/199150970.db2.gz AWSWOUZRJJEYQQ-TXEJJXNPSA-N 0 3 251.326 1.794 20 10 CDCDHN C[C@H](CCCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294884331 199230591 /nfs/dbraw/zinc/23/05/91/199230591.db2.gz VVHMOVUTZQNYOJ-SNVBAGLBSA-N 0 3 267.325 1.619 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CCN1CCSCC1 ZINC000226247875 359669040 /nfs/dbraw/zinc/66/90/40/359669040.db2.gz JPBWVKNKQFJBKS-UHFFFAOYSA-N 0 3 252.383 1.531 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)C1CCN(C)CC1 ZINC000269157450 364148545 /nfs/dbraw/zinc/14/85/45/364148545.db2.gz RCJYTDNAQLGTIL-UHFFFAOYSA-N 0 3 262.353 1.692 20 10 CDCDHN CC[N@H+](CCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000271826989 365001191 /nfs/dbraw/zinc/00/11/91/365001191.db2.gz OAYFDATUNDEYOX-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN CC[N@@H+](CCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000271826989 365001195 /nfs/dbraw/zinc/00/11/95/365001195.db2.gz OAYFDATUNDEYOX-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN CC[C@H](N[C@H](CO)COC)c1ccc(N(C)C)cc1 ZINC000281159366 367597217 /nfs/dbraw/zinc/59/72/17/367597217.db2.gz PBAKJNCROYIWDF-HIFRSBDPSA-N 0 3 266.385 1.801 20 10 CDCDHN COCCn1cc(CNCc2cccc(C)c2O)cn1 ZINC000282266099 367804236 /nfs/dbraw/zinc/80/42/36/367804236.db2.gz DCMKOADZOPORIW-UHFFFAOYSA-N 0 3 275.352 1.833 20 10 CDCDHN COc1ccc(O)c(CNCc2cc(C)nn2C)c1 ZINC000284234973 368506366 /nfs/dbraw/zinc/50/63/66/368506366.db2.gz DRZRDTLAGDQUDN-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN CCOc1cccc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000285666981 368649629 /nfs/dbraw/zinc/64/96/29/368649629.db2.gz ZJUUKRMBHGJCGG-UHFFFAOYSA-N 0 3 295.379 1.812 20 10 CDCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccco1 ZINC000295773875 371449354 /nfs/dbraw/zinc/44/93/54/371449354.db2.gz ALZUMPDJZGJWBB-GFCCVEGCSA-N 0 3 286.331 1.992 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093361174 390902015 /nfs/dbraw/zinc/90/20/15/390902015.db2.gz NZNRXDVFWFHBNM-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093361174 390902017 /nfs/dbraw/zinc/90/20/17/390902017.db2.gz NZNRXDVFWFHBNM-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CCCC(=O)NC)c1[O-] ZINC000093717681 390903801 /nfs/dbraw/zinc/90/38/01/390903801.db2.gz IWPVEPRMHLFHCR-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CCCC(=O)NC)c1[O-] ZINC000093717681 390903802 /nfs/dbraw/zinc/90/38/02/390903802.db2.gz IWPVEPRMHLFHCR-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCC[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000132726974 390933089 /nfs/dbraw/zinc/93/30/89/390933089.db2.gz YNUPSLMIGLCPCO-UHFFFAOYSA-N 0 3 253.342 1.613 20 10 CDCDHN CCC[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000132726974 390933090 /nfs/dbraw/zinc/93/30/90/390933090.db2.gz YNUPSLMIGLCPCO-UHFFFAOYSA-N 0 3 253.342 1.613 20 10 CDCDHN O=C1CCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179570367 391211991 /nfs/dbraw/zinc/21/19/91/391211991.db2.gz ZCXFZEOJZXAAOM-UHFFFAOYSA-N 0 3 274.364 1.979 20 10 CDCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000183490857 391266243 /nfs/dbraw/zinc/26/62/43/391266243.db2.gz COGIFMUKGFIWFR-CYBMUJFWSA-N 0 3 291.395 1.207 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000038083086 174092553 /nfs/dbraw/zinc/09/25/53/174092553.db2.gz WBJCQHBRPRVNAX-NWDGAFQWSA-N 0 3 283.393 1.786 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000051994808 260210343 /nfs/dbraw/zinc/21/03/43/260210343.db2.gz OFUUQZOZBPWCMX-TZMCWYRMSA-N 0 3 251.326 1.794 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CCNC1 ZINC000370783421 276885251 /nfs/dbraw/zinc/88/52/51/276885251.db2.gz YEVJEUQXKXGBMK-OAHLLOKOSA-N 0 3 293.342 1.180 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000092393527 327193735 /nfs/dbraw/zinc/19/37/35/327193735.db2.gz KYLATGSAWLWZFS-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000230663293 333320094 /nfs/dbraw/zinc/32/00/94/333320094.db2.gz SZIVGHUJBGDCRM-GHMZBOCLSA-N 0 3 269.341 1.449 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)N(C)C)c1O ZINC000036794271 521368464 /nfs/dbraw/zinc/36/84/64/521368464.db2.gz MSQMLFWOLGPNAJ-JTQLQIEISA-N 0 3 266.341 1.357 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000277809737 521652820 /nfs/dbraw/zinc/65/28/20/521652820.db2.gz YTUNNEYHSWIGMZ-UHFFFAOYSA-N 0 3 265.353 1.720 20 10 CDCDHN CCC[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000264678265 521661510 /nfs/dbraw/zinc/66/15/10/521661510.db2.gz BJLHODICLGGHQL-UHFFFAOYSA-N 0 3 278.396 1.936 20 10 CDCDHN CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000264678265 521661512 /nfs/dbraw/zinc/66/15/12/521661512.db2.gz BJLHODICLGGHQL-UHFFFAOYSA-N 0 3 278.396 1.936 20 10 CDCDHN CN(C)C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000128098088 521881480 /nfs/dbraw/zinc/88/14/80/521881480.db2.gz DZJPXFPQMZCVDF-INIZCTEOSA-N 0 3 277.412 1.515 20 10 CDCDHN CC[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000279983209 522598563 /nfs/dbraw/zinc/59/85/63/522598563.db2.gz DTRKKJBNTGPDGU-LBPRGKRZSA-N 0 3 271.382 1.786 20 10 CDCDHN CC[C@@H]([NH2+]CCOCCO)c1ccc(C)cc1[O-] ZINC000279949997 522838018 /nfs/dbraw/zinc/83/80/18/522838018.db2.gz BSIXWMYOESWFLP-CYBMUJFWSA-N 0 3 253.342 1.750 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000274878193 522865016 /nfs/dbraw/zinc/86/50/16/522865016.db2.gz HANRRHPEPQRAKC-HIFRSBDPSA-N 0 3 275.352 1.900 20 10 CDCDHN CN(C[C@H](O)CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000289402720 523093197 /nfs/dbraw/zinc/09/31/97/523093197.db2.gz SVOFWSBNHZFZSJ-CYBMUJFWSA-N 0 3 278.352 1.307 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000279474202 523966532 /nfs/dbraw/zinc/96/65/32/523966532.db2.gz SOMYERDYJDSOGS-GXSJLCMTSA-N 0 3 293.319 1.552 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2COC[C@@H]2OC)c1 ZINC000290022632 524775628 /nfs/dbraw/zinc/77/56/28/524775628.db2.gz CJVGDUOKCVJHBI-WFBYXXMGSA-N 0 3 267.325 1.465 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000289670752 525919459 /nfs/dbraw/zinc/91/94/59/525919459.db2.gz HEYCQJFEGCCTEW-LBPRGKRZSA-N 0 3 290.367 1.525 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1ccccc1)OCO2 ZINC000042879725 526336348 /nfs/dbraw/zinc/33/63/48/526336348.db2.gz FMOFTYDDSWGDLN-AWEZNQCLSA-N 0 3 287.315 1.944 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280443721 527606506 /nfs/dbraw/zinc/60/65/06/527606506.db2.gz CUYBVYUFPQLSBZ-JQWIXIFHSA-N 0 3 269.316 1.266 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000769455002 575369751 /nfs/dbraw/zinc/36/97/51/575369751.db2.gz DDVAIASVZVRHIM-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000769455002 575369754 /nfs/dbraw/zinc/36/97/54/575369754.db2.gz DDVAIASVZVRHIM-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770751728 575495014 /nfs/dbraw/zinc/49/50/14/575495014.db2.gz AOYONOIIEPLJEZ-MLGOLLRUSA-N 0 3 293.363 1.829 20 10 CDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1O ZINC000769365135 576348541 /nfs/dbraw/zinc/34/85/41/576348541.db2.gz NGVMZBUNRDBKAJ-RYUDHWBXSA-N 0 3 262.353 1.881 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000769402932 576352085 /nfs/dbraw/zinc/35/20/85/576352085.db2.gz FAJSSMXBQFGOBT-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000769402932 576352086 /nfs/dbraw/zinc/35/20/86/576352086.db2.gz FAJSSMXBQFGOBT-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc([O-])c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443339 576354258 /nfs/dbraw/zinc/35/42/58/576354258.db2.gz XFQWXWZWBPKUJC-WCQYABFASA-N 0 3 262.353 1.585 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000763468431 576737988 /nfs/dbraw/zinc/73/79/88/576737988.db2.gz YXHFUWZUSSXHLA-CQSZACIVSA-N 0 3 265.353 1.659 20 10 CDCDHN CN(C)c1ccc(CNc2ccncc2CO)cc1 ZINC000891579250 617487740 /nfs/dbraw/zinc/48/77/40/617487740.db2.gz VUZCDPXYHHWGBE-UHFFFAOYSA-N 0 3 257.337 1.674 20 10 CDCDHN COc1ccc(CN[C@@H]2CCCN(C)C2=O)c(O)c1OC ZINC000893100757 618169138 /nfs/dbraw/zinc/16/91/38/618169138.db2.gz WDTNGVZUYXXKMD-LLVKDONJSA-N 0 3 294.351 1.120 20 10 CDCDHN COc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)c(O)c1OC ZINC000894466823 618903118 /nfs/dbraw/zinc/90/31/18/618903118.db2.gz FDKQLFXTIOTMCW-QMMMGPOBSA-N 0 3 292.339 1.687 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000896377278 620078850 /nfs/dbraw/zinc/07/88/50/620078850.db2.gz HNISUMBLLCNFQU-CYBMUJFWSA-N 0 3 263.337 1.895 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000896377278 620078851 /nfs/dbraw/zinc/07/88/51/620078851.db2.gz HNISUMBLLCNFQU-CYBMUJFWSA-N 0 3 263.337 1.895 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000897357024 620573087 /nfs/dbraw/zinc/57/30/87/620573087.db2.gz DKKHNYXRLDSZFD-JLIMDTESSA-N 0 3 271.744 1.915 20 10 CDCDHN OC[C@@]1(NCc2ccc(N3CCCC3)cc2)CCOC1 ZINC000393893325 1159508492 /nfs/dbraw/zinc/50/84/92/1159508492.db2.gz YVUFJXFUINHWLQ-INIZCTEOSA-N 0 3 276.380 1.528 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001168966827 1161996009 /nfs/dbraw/zinc/99/60/09/1161996009.db2.gz LLOCRPAHHBJKJZ-ZYHUDNBSSA-N 0 3 250.298 1.927 20 10 CDCDHN COc1ccc(CN2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC000153939802 1178138562 /nfs/dbraw/zinc/13/85/62/1178138562.db2.gz PTDJPJVHHLCQNK-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000153939802 1178138565 /nfs/dbraw/zinc/13/85/65/1178138565.db2.gz PTDJPJVHHLCQNK-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000153939802 1178138567 /nfs/dbraw/zinc/13/85/67/1178138567.db2.gz PTDJPJVHHLCQNK-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000877130235 773781136 /nfs/dbraw/zinc/78/11/36/773781136.db2.gz KNVXBABUQDYTKV-DOMZBBRYSA-N 0 3 292.379 1.426 20 10 CDCDHN CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649321 774265709 /nfs/dbraw/zinc/26/57/09/774265709.db2.gz NEJYJNXCJCFDCO-LLVKDONJSA-N 0 3 286.397 1.372 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CC1CC1 ZINC000884223239 774284022 /nfs/dbraw/zinc/28/40/22/774284022.db2.gz LKYPFXXEFDKRKI-OAHLLOKOSA-N 0 3 275.396 1.805 20 10 CDCDHN [NH3+]CC1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000841106527 774308527 /nfs/dbraw/zinc/30/85/27/774308527.db2.gz BHPNDIMSHNXHBD-UHFFFAOYSA-N 0 3 288.750 1.470 20 10 CDCDHN Cc1cccc(CN2CCN(c3nccn3C)CC2)c1O ZINC000827885054 774323984 /nfs/dbraw/zinc/32/39/84/774323984.db2.gz PDVZVDAQDVNQKP-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccccc1[O-] ZINC000839196350 774709437 /nfs/dbraw/zinc/70/94/37/774709437.db2.gz UXTUDYDDUFUUPT-BZPMIXESSA-N 0 3 251.326 1.847 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[O-] ZINC000923522184 774725791 /nfs/dbraw/zinc/72/57/91/774725791.db2.gz WSJCJEUXYUPOCM-WCQYABFASA-N 0 3 292.354 1.775 20 10 CDCDHN C[N@H+](CCCCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000837226049 774840868 /nfs/dbraw/zinc/84/08/68/774840868.db2.gz ZCJVLVXHOIXZCV-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN C[N@@H+](CCCCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000837226049 774840869 /nfs/dbraw/zinc/84/08/69/774840869.db2.gz ZCJVLVXHOIXZCV-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000839800250 774872331 /nfs/dbraw/zinc/87/23/31/774872331.db2.gz VPBIITVPPOPMEI-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000839800250 774872332 /nfs/dbraw/zinc/87/23/32/774872332.db2.gz VPBIITVPPOPMEI-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN Oc1cc2c(cc1CN1CCC[C@@H](O)C1)OCO2 ZINC000007011660 774885120 /nfs/dbraw/zinc/88/51/20/774885120.db2.gz LYQDAXMUUFVWTA-SNVBAGLBSA-N 0 3 251.282 1.078 20 10 CDCDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000783932174 775504774 /nfs/dbraw/zinc/50/47/74/775504774.db2.gz HZTQTFNZTSSAIF-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CN(C)C1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000783932174 775504793 /nfs/dbraw/zinc/50/47/93/775504793.db2.gz HZTQTFNZTSSAIF-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CON(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000858582026 775851328 /nfs/dbraw/zinc/85/13/28/775851328.db2.gz LELOATDKSJEIFK-NEPJUHHUSA-N 0 3 279.384 1.812 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@@H](C[NH3+])C2CC2)c1[O-] ZINC000843386730 776064414 /nfs/dbraw/zinc/06/44/14/776064414.db2.gz LHSCNGLCJQZFRO-AWEZNQCLSA-N 0 3 280.343 1.903 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c([O-])c1 ZINC000825312749 776167809 /nfs/dbraw/zinc/16/78/09/776167809.db2.gz XKXLHUBWWYVYAB-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c([O-])c1 ZINC000825312749 776167818 /nfs/dbraw/zinc/16/78/18/776167818.db2.gz XKXLHUBWWYVYAB-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(O)c(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000158874401 776462952 /nfs/dbraw/zinc/46/29/52/776462952.db2.gz YCLXLRYBLLNDLK-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@@H]1COCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834566322 776760776 /nfs/dbraw/zinc/76/07/76/776760776.db2.gz JTMJIDFZIQWFNI-TZMCWYRMSA-N 0 3 276.380 1.690 20 10 CDCDHN CCCN(Cc1ccccc1O)c1nc(N)nc(N)n1 ZINC000858451196 776824922 /nfs/dbraw/zinc/82/49/22/776824922.db2.gz OSEFMCLJJPSDHJ-UHFFFAOYSA-N 0 3 274.328 1.158 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c([O-])c1 ZINC000877493157 776842238 /nfs/dbraw/zinc/84/22/38/776842238.db2.gz HICZICCLEVNJDM-YPMHNXCESA-N 0 3 292.379 1.938 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c([O-])c1 ZINC000877493155 776948784 /nfs/dbraw/zinc/94/87/84/776948784.db2.gz HICZICCLEVNJDM-DGCLKSJQSA-N 0 3 292.379 1.938 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@H](OC)C2CC2)c([O-])c1 ZINC000393506147 777033068 /nfs/dbraw/zinc/03/30/68/777033068.db2.gz XDXGIBYHSVRGMW-CQSZACIVSA-N 0 3 251.326 1.915 20 10 CDCDHN NC(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000036902916 777035248 /nfs/dbraw/zinc/03/52/48/777035248.db2.gz KFJBEALNFLHXAB-UHFFFAOYSA-N 0 3 256.305 1.781 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000877533474 777065333 /nfs/dbraw/zinc/06/53/33/777065333.db2.gz OTVCDZLIESQDDX-LBPRGKRZSA-N 0 3 283.393 1.615 20 10 CDCDHN CC[C@@H](N)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807419 777101197 /nfs/dbraw/zinc/10/11/97/777101197.db2.gz CQWPKGGYAGFUTN-CQSZACIVSA-N 0 3 263.385 1.838 20 10 CDCDHN COc1cc(C)cc(CN2CCN(C)CC2)c1O ZINC000199971665 777347433 /nfs/dbraw/zinc/34/74/33/777347433.db2.gz DKPMTUFMDBSNDB-UHFFFAOYSA-N 0 3 250.342 1.457 20 10 CDCDHN CN(C)CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956593 777376013 /nfs/dbraw/zinc/37/60/13/777376013.db2.gz AACVBFDLEOEVOW-UHFFFAOYSA-N 0 3 264.373 1.014 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C)c1[O-] ZINC000712541920 777848795 /nfs/dbraw/zinc/84/87/95/777848795.db2.gz GVPLJCDYNNPOLS-NSHDSACASA-N 0 3 270.760 1.848 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000877532396 778094003 /nfs/dbraw/zinc/09/40/03/778094003.db2.gz FRCZTOAOKAQKRH-GFCCVEGCSA-N 0 3 283.393 1.615 20 10 CDCDHN [NH3+]C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219838917 778834888 /nfs/dbraw/zinc/83/48/88/778834888.db2.gz DIVZZHPTMGTMKB-VIFPVBQESA-N 0 3 285.185 1.935 20 10 CDCDHN COC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849024818 778981346 /nfs/dbraw/zinc/98/13/46/778981346.db2.gz BBDRIVYAZLRCER-SECBINFHSA-N 0 3 267.329 1.050 20 10 CDCDHN [NH3+][C@]12CCC[C@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC000857226405 779032938 /nfs/dbraw/zinc/03/29/38/779032938.db2.gz NDFLKVSOGLFNAK-FZMZJTMJSA-N 0 3 250.317 1.845 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CCCC1=O ZINC000846076633 779047726 /nfs/dbraw/zinc/04/77/26/779047726.db2.gz CIYCNDBGNZGEPC-UHFFFAOYSA-N 0 3 264.325 1.113 20 10 CDCDHN COc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000389186902 779338636 /nfs/dbraw/zinc/33/86/36/779338636.db2.gz MQOHUJAJEHBZQW-MWLCHTKSSA-N 0 3 285.365 1.066 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H](OC)C2CCOCC2)c([O-])c1 ZINC000877494139 779377174 /nfs/dbraw/zinc/37/71/74/779377174.db2.gz TZVLLJFHRPKBET-INIZCTEOSA-N 0 3 295.379 1.932 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1[O-] ZINC000817976779 779494458 /nfs/dbraw/zinc/49/44/58/779494458.db2.gz TXEZGJHKZYHIFI-LSJOCFKGSA-N 0 3 256.296 1.882 20 10 CDCDHN CN1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159014 779548829 /nfs/dbraw/zinc/54/88/29/779548829.db2.gz KPPOEZHOKYZULP-NSHDSACASA-N 0 3 258.325 1.662 20 10 CDCDHN CCN(CC)C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311732707 779920764 /nfs/dbraw/zinc/92/07/64/779920764.db2.gz RISUDMVUOYGPBJ-GFCCVEGCSA-N 0 3 262.353 1.838 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H](O)[C@@H](F)CC2)cc1O ZINC001233483367 912823498 /nfs/dbraw/zinc/82/34/98/912823498.db2.gz XGMXBCWTTHJNMN-VHSXEESVSA-N 0 3 271.288 1.098 20 10 CDCDHN O=S1(=O)CCCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000694583683 898555882 /nfs/dbraw/zinc/55/58/82/898555882.db2.gz GNNUJVMGKLRGTK-STQMWFEESA-N 0 3 295.404 1.936 20 10 CDCDHN OC[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1 ZINC000921994051 921235955 /nfs/dbraw/zinc/23/59/55/921235955.db2.gz OTRWOYNTCMORGN-OAHLLOKOSA-N 0 3 263.337 1.253 20 10 CDCDHN C[NH2+]C1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001204714774 909575766 /nfs/dbraw/zinc/57/57/66/909575766.db2.gz UQSLOAIZYJLOPZ-UHFFFAOYSA-N 0 3 285.185 1.867 20 10 CDCDHN C[NH+](C)C[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140466071 936712772 /nfs/dbraw/zinc/71/27/72/936712772.db2.gz WAFNKDYJOOSIPN-ZDUSSCGKSA-N 0 3 284.787 1.808 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@H](F)C[C@H](CO)C2)c1 ZINC001140617555 936731204 /nfs/dbraw/zinc/73/12/04/936731204.db2.gz TYQDAOWRRBIFCP-WCQYABFASA-N 0 3 253.317 1.853 20 10 CDCDHN CC(=O)N1CCCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140742002 936748298 /nfs/dbraw/zinc/74/82/98/936748298.db2.gz GXFUJSBKJCIPSF-UHFFFAOYSA-N 0 3 278.352 1.460 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001140953616 936783628 /nfs/dbraw/zinc/78/36/28/936783628.db2.gz DUPKKJVQLYANJI-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001140953616 936783629 /nfs/dbraw/zinc/78/36/29/936783629.db2.gz DUPKKJVQLYANJI-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN CN1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000704346657 922868846 /nfs/dbraw/zinc/86/88/46/922868846.db2.gz YSIMYHJDFUVKGC-NWDGAFQWSA-N 0 3 260.337 1.590 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC2CC(O)C2)c1[O-] ZINC000191164004 934552589 /nfs/dbraw/zinc/55/25/89/934552589.db2.gz WSHLJIOWWAULJD-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC2CC(O)C2)c1[O-] ZINC000191164004 934552593 /nfs/dbraw/zinc/55/25/93/934552593.db2.gz WSHLJIOWWAULJD-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001203562087 939693194 /nfs/dbraw/zinc/69/31/94/939693194.db2.gz DITQQTAEFGZCPN-CYBMUJFWSA-N 0 3 271.320 1.836 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001203562087 939693196 /nfs/dbraw/zinc/69/31/96/939693196.db2.gz DITQQTAEFGZCPN-CYBMUJFWSA-N 0 3 271.320 1.836 20 10 CDCDHN COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)cc(O)c1O ZINC001204346679 939759410 /nfs/dbraw/zinc/75/94/10/939759410.db2.gz VNGBUYLBZDZWKE-TXEJJXNPSA-N 0 3 278.352 1.385 20 10 CDCDHN CCN(CCn1ccnc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204349571 939759552 /nfs/dbraw/zinc/75/95/52/939759552.db2.gz UWFUBNZDLPRYKD-UHFFFAOYSA-N 0 3 291.351 1.825 20 10 CDCDHN Cc1cccc(CN2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206674575 940076360 /nfs/dbraw/zinc/07/63/60/940076360.db2.gz DTIRZMANEIQVSR-NSHDSACASA-N 0 3 256.296 1.869 20 10 CDCDHN Cc1cccc(CN2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001231591276 942938986 /nfs/dbraw/zinc/93/89/86/942938986.db2.gz YYEPAQRVORYOMI-AAEUAGOBSA-N 0 3 253.317 1.853 20 10 CDCDHN COc1cc(CN2CCC(NC(C)=O)CC2)c(O)cc1O ZINC001231635411 942952496 /nfs/dbraw/zinc/95/24/96/942952496.db2.gz YLBFDFCNUOQAPX-UHFFFAOYSA-N 0 3 294.351 1.207 20 10 CDCDHN Oc1cc(CN2CCN3CCCC[C@H]3C2)cc(O)c1O ZINC001233012132 943462256 /nfs/dbraw/zinc/46/22/56/943462256.db2.gz IRYGXPVDQYAJST-LBPRGKRZSA-N 0 3 278.352 1.474 20 10 CDCDHN CCN(CCn1cccn1)Cc1cc(O)c(O)cc1O ZINC001233486446 943594594 /nfs/dbraw/zinc/59/45/94/943594594.db2.gz NJEPMDMHNOOBIW-UHFFFAOYSA-N 0 3 277.324 1.522 20 10 CDCDHN C[C@@H]([NH2+]C1CC1)C(=O)NCc1c([O-])cccc1F ZINC001263199988 943785075 /nfs/dbraw/zinc/78/50/75/943785075.db2.gz WVSOLKZDMFMCAJ-MRVPVSSYSA-N 0 3 252.289 1.288 20 10 CDCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@H](O)CO ZINC001235684528 944247505 /nfs/dbraw/zinc/24/75/05/944247505.db2.gz YDTFPQBMSWUJHM-ZDUSSCGKSA-N 0 3 267.369 1.475 20 10 CDCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@H](O)CO ZINC001235684528 944247511 /nfs/dbraw/zinc/24/75/11/944247511.db2.gz YDTFPQBMSWUJHM-ZDUSSCGKSA-N 0 3 267.369 1.475 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001249173596 949444355 /nfs/dbraw/zinc/44/43/55/949444355.db2.gz UETBWGNEIOJGHQ-ZDUSSCGKSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001249173596 949444379 /nfs/dbraw/zinc/44/43/79/949444379.db2.gz UETBWGNEIOJGHQ-ZDUSSCGKSA-N 0 3 279.336 1.064 20 10 CDCDHN CCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O ZINC001327031281 954667512 /nfs/dbraw/zinc/66/75/12/954667512.db2.gz KLWCCPMADGKWPV-MRXNPFEDSA-N 0 3 287.407 1.997 20 10 CDCDHN COc1cc(C)c(C[N@H+](C)CCCCO)c([O-])c1 ZINC001308694893 956562564 /nfs/dbraw/zinc/56/25/64/956562564.db2.gz XXMZEIYEZQEDGC-UHFFFAOYSA-N 0 3 253.342 1.914 20 10 CDCDHN COc1cc(C)c(C[N@@H+](C)CCCCO)c([O-])c1 ZINC001308694893 956562573 /nfs/dbraw/zinc/56/25/73/956562573.db2.gz XXMZEIYEZQEDGC-UHFFFAOYSA-N 0 3 253.342 1.914 20 10 CDCDHN Nc1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC001345159827 964611458 /nfs/dbraw/zinc/61/14/58/964611458.db2.gz NPMDRTNNVIAICI-YPMHNXCESA-N 0 3 261.325 1.199 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1 ZINC000178866777 342532716 /nfs/dbraw/zinc/53/27/16/342532716.db2.gz FWRLNXAGBWFDNW-BXUZGUMPSA-N 0 3 273.380 1.553 20 10 CDCDHN COC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000188380558 357888239 /nfs/dbraw/zinc/88/82/39/357888239.db2.gz LEDIYIZOYMLEKS-OCCSQVGLSA-N 0 3 265.353 1.936 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000188803107 357938669 /nfs/dbraw/zinc/93/86/69/357938669.db2.gz KBZISXDMIGMWOM-JQWIXIFHSA-N 0 3 251.326 1.651 20 10 CDCDHN C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(F)ccc1[O-] ZINC000287173403 359284382 /nfs/dbraw/zinc/28/43/82/359284382.db2.gz CFWOOCUGJMAQNY-JTQLQIEISA-N 0 3 271.332 1.969 20 10 CDCDHN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCN(C)CC1 ZINC000113336627 359394346 /nfs/dbraw/zinc/39/43/46/359394346.db2.gz NAJXYGXMWPDXGV-LBPRGKRZSA-N 0 3 297.830 1.771 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCNC2=O)c1 ZINC000050394280 359779813 /nfs/dbraw/zinc/77/98/13/359779813.db2.gz XNLKMBWUAPFTLI-SKDRFNHKSA-N 0 3 264.325 1.330 20 10 CDCDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000281292235 363793829 /nfs/dbraw/zinc/79/38/29/363793829.db2.gz YDPDAXLAHSQJRQ-VIFPVBQESA-N 0 3 287.356 1.759 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1O ZINC000271238508 364977520 /nfs/dbraw/zinc/97/75/20/364977520.db2.gz BQEXJORRLDADAF-SKDRFNHKSA-N 0 3 265.309 1.324 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1O ZINC000271238508 364977521 /nfs/dbraw/zinc/97/75/21/364977521.db2.gz BQEXJORRLDADAF-SKDRFNHKSA-N 0 3 265.309 1.324 20 10 CDCDHN C[C@H](NC1CC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000294697510 371085862 /nfs/dbraw/zinc/08/58/62/371085862.db2.gz CDIRSSSMSVEEDG-NSHDSACASA-N 0 3 289.379 1.619 20 10 CDCDHN Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000273405938 371162132 /nfs/dbraw/zinc/16/21/32/371162132.db2.gz HBKUAICEMAPITH-QMMMGPOBSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1nc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n[nH]1 ZINC000273405938 371162136 /nfs/dbraw/zinc/16/21/36/371162136.db2.gz HBKUAICEMAPITH-QMMMGPOBSA-N 0 3 264.304 1.851 20 10 CDCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccn[nH]1 ZINC000296292184 371698290 /nfs/dbraw/zinc/69/82/90/371698290.db2.gz DCRUYHFVPFMIEL-LLVKDONJSA-N 0 3 286.335 1.122 20 10 CDCDHN COCCCN(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297710209 372014897 /nfs/dbraw/zinc/01/48/97/372014897.db2.gz MTLQTQHEWGYJBQ-AWEZNQCLSA-N 0 3 278.396 1.937 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122738395 390906479 /nfs/dbraw/zinc/90/64/79/390906479.db2.gz AQOJXHLOMJCHSX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122738395 390906480 /nfs/dbraw/zinc/90/64/80/390906480.db2.gz AQOJXHLOMJCHSX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122738395 390906481 /nfs/dbraw/zinc/90/64/81/390906481.db2.gz AQOJXHLOMJCHSX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN CCS(=O)(=O)NCCC[N@H+](C)Cc1ccccc1[O-] ZINC000151679745 390966072 /nfs/dbraw/zinc/96/60/72/390966072.db2.gz IETSSKRCXVEOLD-UHFFFAOYSA-N 0 3 286.397 1.153 20 10 CDCDHN CCS(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000151679745 390966073 /nfs/dbraw/zinc/96/60/73/390966073.db2.gz IETSSKRCXVEOLD-UHFFFAOYSA-N 0 3 286.397 1.153 20 10 CDCDHN C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1[O-] ZINC000183612562 391267092 /nfs/dbraw/zinc/26/70/92/391267092.db2.gz OKKYUXLJKHUMCY-NSHDSACASA-N 0 3 287.381 1.104 20 10 CDCDHN CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccccc1[O-] ZINC000281917016 391426781 /nfs/dbraw/zinc/42/67/81/391426781.db2.gz AHFYRFLAICGNTD-PWSUYJOCSA-N 0 3 268.332 1.907 20 10 CDCDHN Oc1ccccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000361053448 391678818 /nfs/dbraw/zinc/67/88/18/391678818.db2.gz RKPNMZZNCDQSKM-GDBMZVCRSA-N 0 3 276.380 1.423 20 10 CDCDHN COc1cccc(C[NH2+]CCCn2cccn2)c1[O-] ZINC000134491269 393264412 /nfs/dbraw/zinc/26/44/12/393264412.db2.gz NUEXSRCNKJDSRL-UHFFFAOYSA-N 0 3 261.325 1.777 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1 ZINC000020128530 171015726 /nfs/dbraw/zinc/01/57/26/171015726.db2.gz QXBLIOXHCWUGRD-HNNXBMFYSA-N 0 3 291.439 1.989 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1[O-] ZINC000020141606 171027970 /nfs/dbraw/zinc/02/79/70/171027970.db2.gz ZGLJZFAZQIIXRV-CYBMUJFWSA-N 0 3 264.369 1.765 20 10 CDCDHN Cn1cc([C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CO)cn1 ZINC000278569153 263049156 /nfs/dbraw/zinc/04/91/56/263049156.db2.gz BVAUUGWNNUEXDG-GJZGRUSLSA-N 0 3 287.363 1.334 20 10 CDCDHN Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CO)cn1 ZINC000278569153 263049157 /nfs/dbraw/zinc/04/91/57/263049157.db2.gz BVAUUGWNNUEXDG-GJZGRUSLSA-N 0 3 287.363 1.334 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000367988990 267132819 /nfs/dbraw/zinc/13/28/19/267132819.db2.gz OVOUREBTJIPPTJ-LBPRGKRZSA-N 0 3 290.363 1.717 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000367988990 267132820 /nfs/dbraw/zinc/13/28/20/267132820.db2.gz OVOUREBTJIPPTJ-LBPRGKRZSA-N 0 3 290.363 1.717 20 10 CDCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCCF)c1 ZINC000282690631 328243279 /nfs/dbraw/zinc/24/32/79/328243279.db2.gz KGGVCYHHHXCTJN-QWRGUYRKSA-N 0 3 268.332 1.825 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000228099057 333294920 /nfs/dbraw/zinc/29/49/20/333294920.db2.gz GPBKARBNJDNWCL-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000228099057 333294921 /nfs/dbraw/zinc/29/49/21/333294921.db2.gz GPBKARBNJDNWCL-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000231843110 333330432 /nfs/dbraw/zinc/33/04/32/333330432.db2.gz HNNZTZWABKEWCD-GFCCVEGCSA-N 0 3 264.369 1.960 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1OC ZINC000252838248 520372297 /nfs/dbraw/zinc/37/22/97/520372297.db2.gz BLSVNOCUBCEFNF-MRVWCRGKSA-N 0 3 251.326 1.674 20 10 CDCDHN CC[C@H](CCO)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000094949758 522143669 /nfs/dbraw/zinc/14/36/69/522143669.db2.gz UCGYDWKDKCSMDJ-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC2)cc1 ZINC000066697055 522165327 /nfs/dbraw/zinc/16/53/27/522165327.db2.gz UBDYHFDEVXUOQF-UHFFFAOYSA-N 0 3 275.396 1.807 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000291240059 523287427 /nfs/dbraw/zinc/28/74/27/523287427.db2.gz LDZLRTLCEFGWSG-UHFFFAOYSA-N 0 3 292.379 1.932 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(C)c2)c1 ZINC000041158809 524766730 /nfs/dbraw/zinc/76/67/30/524766730.db2.gz SQZUTCRKFZVANL-SNVBAGLBSA-N 0 3 261.325 1.985 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277420277 525347040 /nfs/dbraw/zinc/34/70/40/525347040.db2.gz AKOHUUVDASRZKB-UHFFFAOYSA-N 0 3 276.380 1.655 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000037155506 526036092 /nfs/dbraw/zinc/03/60/92/526036092.db2.gz KOLLYGRYSAUCTO-LLVKDONJSA-N 0 3 261.325 1.776 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(O)CCOCC2)c([O-])c1 ZINC000728781821 574645555 /nfs/dbraw/zinc/64/55/55/574645555.db2.gz AWAREESEXOZJIW-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769544592 575358332 /nfs/dbraw/zinc/35/83/32/575358332.db2.gz YYEZNRBNEHACCX-INIZCTEOSA-N 0 3 294.370 1.619 20 10 CDCDHN CCOc1ccc(C[NH2+]C2(CO)CCOCC2)c([O-])c1 ZINC000734844934 575387922 /nfs/dbraw/zinc/38/79/22/575387922.db2.gz FHCPWNREAGDKOL-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c1[O-] ZINC000765797241 576056653 /nfs/dbraw/zinc/05/66/53/576056653.db2.gz RBBWRVFJLFEVNB-CHWSQXEVSA-N 0 3 292.379 1.795 20 10 CDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776839 576228579 /nfs/dbraw/zinc/22/85/79/576228579.db2.gz YGEZXXFGELJUCG-VXGBXAGGSA-N 0 3 292.379 1.629 20 10 CDCDHN CC(C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440318 576282544 /nfs/dbraw/zinc/28/25/44/576282544.db2.gz QJVFBORTMHWPER-ZDUSSCGKSA-N 0 3 251.326 1.906 20 10 CDCDHN CC(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440318 576282546 /nfs/dbraw/zinc/28/25/46/576282546.db2.gz QJVFBORTMHWPER-ZDUSSCGKSA-N 0 3 251.326 1.906 20 10 CDCDHN C[C@@H]1CSCCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444698 576283089 /nfs/dbraw/zinc/28/30/89/576283089.db2.gz BHJZTESRXPMGTH-RNCFNFMXSA-N 0 3 281.377 1.755 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C)c2c1c(F)ccc2[O-] ZINC000756552220 576995186 /nfs/dbraw/zinc/99/51/86/576995186.db2.gz DCVTZKMJSRBXHG-FOGDFJRCSA-N 0 3 282.359 1.592 20 10 CDCDHN COc1ccc(O)c(CN(C)CCNC(=O)N(C)C)c1 ZINC000779432561 617367179 /nfs/dbraw/zinc/36/71/79/617367179.db2.gz VKECXWIHCCEUPW-UHFFFAOYSA-N 0 3 281.356 1.104 20 10 CDCDHN CSCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257240 617391880 /nfs/dbraw/zinc/39/18/80/617391880.db2.gz GDGSBWRYWVLBBH-AWEZNQCLSA-N 0 3 295.452 1.835 20 10 CDCDHN COc1cc(C)cc(CN[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000894288333 618495337 /nfs/dbraw/zinc/49/53/37/618495337.db2.gz SBBCBCCZSGEVHI-GFCCVEGCSA-N 0 3 299.392 1.376 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)CCCO ZINC000824603692 618583255 /nfs/dbraw/zinc/58/32/55/618583255.db2.gz XZVPZKSPUFJAAF-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cc(C)cc(CNCc2ccnn2C)c1O ZINC000894173572 618656343 /nfs/dbraw/zinc/65/63/43/618656343.db2.gz PQSDDASYJQCEBB-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COC(=O)c1c(CN[C@@H](C)CO)c2cc(F)ccc2n1C ZINC000894315616 618762488 /nfs/dbraw/zinc/76/24/88/618762488.db2.gz LHRSISVBAUOGTH-VIFPVBQESA-N 0 3 294.326 1.574 20 10 CDCDHN COc1cc(C)cc(CNCc2n[nH]c(C3CC3)n2)c1O ZINC000894876638 619114385 /nfs/dbraw/zinc/11/43/85/619114385.db2.gz LOJIQBJDZYQXGT-UHFFFAOYSA-N 0 3 288.351 1.995 20 10 CDCDHN CCOc1cccc(CN[C@H]2C(=O)NCC2(C)C)c1O ZINC000895317451 619545152 /nfs/dbraw/zinc/54/51/52/619545152.db2.gz OHVIHZSTWKASBS-ZDUSSCGKSA-N 0 3 278.352 1.405 20 10 CDCDHN CN1CCC=C(c2ccc3ncc(=O)n(C)c3c2)C1 ZINC001241571193 1161972810 /nfs/dbraw/zinc/97/28/10/1161972810.db2.gz WKHHEFDJCSMVFD-UHFFFAOYSA-N 0 3 255.321 1.652 20 10 CDCDHN [O-]c1cccc(Br)c1CNC[C@H]1CC[NH2+]1 ZINC001580888428 1172566436 /nfs/dbraw/zinc/56/64/36/1172566436.db2.gz KYJHKBMWSJRITF-MRVPVSSYSA-N 0 3 271.158 1.606 20 10 CDCDHN CCN1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659206 782818372 /nfs/dbraw/zinc/81/83/72/782818372.db2.gz SUYTUXLASWWKBN-OAHLLOKOSA-N 0 3 275.396 1.802 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817959278 782992279 /nfs/dbraw/zinc/99/22/79/782992279.db2.gz FADFYZMGXJDHNC-TVQRCGJNSA-N 0 3 278.352 1.567 20 10 CDCDHN COc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000069142851 783391754 /nfs/dbraw/zinc/39/17/54/783391754.db2.gz XHQDVIHURPAIMC-LLVKDONJSA-N 0 3 285.365 1.068 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@@H]1CO ZINC000877645006 1166072603 /nfs/dbraw/zinc/07/26/03/1166072603.db2.gz XWTCEPIDJBJDIX-MRXNPFEDSA-N 0 3 277.412 1.169 20 10 CDCDHN COCCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876556498 780287996 /nfs/dbraw/zinc/28/79/96/780287996.db2.gz NBPAPWWMDGHUCI-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843483818 780669794 /nfs/dbraw/zinc/66/97/94/780669794.db2.gz FKXRDXSPSAKPJB-KGLIPLIRSA-N 0 3 292.379 1.637 20 10 CDCDHN COC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000794833459 780835546 /nfs/dbraw/zinc/83/55/46/780835546.db2.gz DSCRKWDPZLRXQX-ATZCPNFKSA-N 0 3 269.316 1.677 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c([O-])c1 ZINC000704337398 780994484 /nfs/dbraw/zinc/99/44/84/780994484.db2.gz DDXCDMKZVXFMGU-AAEUAGOBSA-N 0 3 262.353 1.972 20 10 CDCDHN Cc1cc(CN2CCSC[C@@H]2CO)ccc1N(C)C ZINC000815078143 781016021 /nfs/dbraw/zinc/01/60/21/781016021.db2.gz PHUVUSZYHXNWCQ-AWEZNQCLSA-N 0 3 280.437 1.971 20 10 CDCDHN CCOc1cccc(CN(C)CCNC(=O)N(C)C)c1O ZINC000779431683 781223527 /nfs/dbraw/zinc/22/35/27/781223527.db2.gz BAOPCMOPAUKUND-UHFFFAOYSA-N 0 3 295.383 1.494 20 10 CDCDHN COCC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000814302533 781305555 /nfs/dbraw/zinc/30/55/55/781305555.db2.gz WTJKQTVBUUBWAW-UHFFFAOYSA-N 0 3 251.326 1.677 20 10 CDCDHN C[C@@H]1C[C@@H](NCc2cnnn2C)c2c1c(F)ccc2O ZINC000806659929 781513693 /nfs/dbraw/zinc/51/36/93/781513693.db2.gz KCWYHNSPJGKTOE-LDYMZIIASA-N 0 3 276.315 1.998 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2[O-] ZINC000806659929 781513712 /nfs/dbraw/zinc/51/37/12/781513712.db2.gz KCWYHNSPJGKTOE-LDYMZIIASA-N 0 3 276.315 1.998 20 10 CDCDHN C[C@@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841955934 781849445 /nfs/dbraw/zinc/84/94/45/781849445.db2.gz RSYKSYPEZCAJTK-RYUDHWBXSA-N 0 3 276.384 1.203 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1[O-] ZINC000879649785 783352115 /nfs/dbraw/zinc/35/21/15/783352115.db2.gz USTVUZOWVOLHDV-FRRDWIJNSA-N 0 3 292.379 1.727 20 10 CDCDHN CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649139 1166392804 /nfs/dbraw/zinc/39/28/04/1166392804.db2.gz MQRAZPDJYSIMMS-MNOVXSKESA-N 0 3 293.367 1.666 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@]23CCN(C)C3=O)c1 ZINC001272636571 914241289 /nfs/dbraw/zinc/24/12/89/914241289.db2.gz GRVKSCJGJFMDFB-MRXNPFEDSA-N 0 3 290.363 1.598 20 10 CDCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000697567083 908782165 /nfs/dbraw/zinc/78/21/65/908782165.db2.gz HJOIJCCCDUEDBA-MWLCHTKSSA-N 0 3 269.366 1.402 20 10 CDCDHN CCOCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182414215 917310777 /nfs/dbraw/zinc/31/07/77/917310777.db2.gz CSWNYLQKEGSMEU-LLVKDONJSA-N 0 3 296.367 1.204 20 10 CDCDHN O=C1OCCN1[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000827000844 936472096 /nfs/dbraw/zinc/47/20/96/936472096.db2.gz PUSCQWLMQCLYJJ-GFCCVEGCSA-N 0 3 280.299 1.558 20 10 CDCDHN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827000844 936472098 /nfs/dbraw/zinc/47/20/98/936472098.db2.gz PUSCQWLMQCLYJJ-GFCCVEGCSA-N 0 3 280.299 1.558 20 10 CDCDHN O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827000844 936472101 /nfs/dbraw/zinc/47/21/01/936472101.db2.gz PUSCQWLMQCLYJJ-GFCCVEGCSA-N 0 3 280.299 1.558 20 10 CDCDHN CN1CCN(c2ccc(CN3CCOCC3)cc2)CC1 ZINC000082713163 918034563 /nfs/dbraw/zinc/03/45/63/918034563.db2.gz AFSIRFYXLGWDRM-UHFFFAOYSA-N 0 3 275.396 1.271 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001203621934 919700009 /nfs/dbraw/zinc/70/00/09/919700009.db2.gz LAFAMPRFZHOCSE-OAHLLOKOSA-N 0 3 276.336 1.113 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001203621934 919700016 /nfs/dbraw/zinc/70/00/16/919700016.db2.gz LAFAMPRFZHOCSE-OAHLLOKOSA-N 0 3 276.336 1.113 20 10 CDCDHN Cc1cc(CN2CC3(C2)CCN(C)C3=O)ccc1N(C)C ZINC001139673394 936634799 /nfs/dbraw/zinc/63/47/99/936634799.db2.gz BEDUOPINHBVLNT-UHFFFAOYSA-N 0 3 287.407 1.725 20 10 CDCDHN C[C@@H]([NH3+])CN(C)Cc1cc(Br)ccc1[O-] ZINC000389604249 936647307 /nfs/dbraw/zinc/64/73/07/936647307.db2.gz XAKRLHCFBKCNEX-MRVPVSSYSA-N 0 3 273.174 1.934 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140056472 936675076 /nfs/dbraw/zinc/67/50/76/936675076.db2.gz YDTHGEQOGJVHFW-SMDDNHRTSA-N 0 3 292.354 1.974 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140056472 936675078 /nfs/dbraw/zinc/67/50/78/936675078.db2.gz YDTHGEQOGJVHFW-SMDDNHRTSA-N 0 3 292.354 1.974 20 10 CDCDHN C[NH+](C)C[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140341840 936703478 /nfs/dbraw/zinc/70/34/78/936703478.db2.gz JQLUPHNMDKVPMP-LLVKDONJSA-N 0 3 284.787 1.808 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C3COC3)CC2)c1 ZINC001140617683 936731208 /nfs/dbraw/zinc/73/12/08/936731208.db2.gz WTVURQXKFDZKBX-UHFFFAOYSA-N 0 3 262.353 1.217 20 10 CDCDHN Cc1ccc(O)c(CN2CC(N(C)[C@@H]3CCOC3)C2)c1 ZINC001140622756 936731930 /nfs/dbraw/zinc/73/19/30/936731930.db2.gz FVZHQYYBCLGHHP-CQSZACIVSA-N 0 3 276.380 1.606 20 10 CDCDHN CC(=O)N1CCC2(CN(Cc3ccc(C)cc3O)C2)C1 ZINC001140950184 936783386 /nfs/dbraw/zinc/78/33/86/936783386.db2.gz UNLSLFNHRLFHOB-UHFFFAOYSA-N 0 3 274.364 1.755 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(F)ccc1[O-] ZINC000704357783 922869350 /nfs/dbraw/zinc/86/93/50/922869350.db2.gz QYRWXTPQPCAGAQ-JOYOIKCWSA-N 0 3 266.316 1.803 20 10 CDCDHN CCOC(=O)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158262 936822393 /nfs/dbraw/zinc/82/23/93/936822393.db2.gz WFMVVZALNLATPA-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN COc1cc(C)cc(CN2CCc3cn[nH]c3C2)c1O ZINC001119443962 925298414 /nfs/dbraw/zinc/29/84/14/925298414.db2.gz YMSHPVURHKUJFF-UHFFFAOYSA-N 0 3 273.336 1.991 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1[O-] ZINC000843369346 925776443 /nfs/dbraw/zinc/77/64/43/925776443.db2.gz ZCRBNGXHBXGZGJ-MRXNPFEDSA-N 0 3 292.354 1.919 20 10 CDCDHN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000854649844 928257182 /nfs/dbraw/zinc/25/71/82/928257182.db2.gz HKWSWQCSWKZNKN-WCBMZHEXSA-N 0 3 254.355 1.618 20 10 CDCDHN C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000783533497 937274424 /nfs/dbraw/zinc/27/44/24/937274424.db2.gz RHQFQKPEQHBUAS-BXUZGUMPSA-N 0 3 265.353 1.830 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000862756207 929465602 /nfs/dbraw/zinc/46/56/02/929465602.db2.gz TYOHXCLPKIDIIF-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CC[N@@H+]1C ZINC000881438976 929847666 /nfs/dbraw/zinc/84/76/66/929847666.db2.gz AWFLUFMQOYEMPQ-LLVKDONJSA-N 0 3 296.342 1.649 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CC[N@H+]1C ZINC000881438976 929847680 /nfs/dbraw/zinc/84/76/80/929847680.db2.gz AWFLUFMQOYEMPQ-LLVKDONJSA-N 0 3 296.342 1.649 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825240574 931497315 /nfs/dbraw/zinc/49/73/15/931497315.db2.gz MPTWXVDVSZIMNQ-CYBMUJFWSA-N 0 3 251.326 1.651 20 10 CDCDHN C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001275276360 931720710 /nfs/dbraw/zinc/72/07/10/931720710.db2.gz JUIGOFGIWLVHQU-BETUJISGSA-N 0 3 282.771 1.560 20 10 CDCDHN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001275276360 931720714 /nfs/dbraw/zinc/72/07/14/931720714.db2.gz JUIGOFGIWLVHQU-BETUJISGSA-N 0 3 282.771 1.560 20 10 CDCDHN Cc1ccc(O)c(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001275311812 931731475 /nfs/dbraw/zinc/73/14/75/931731475.db2.gz OSZVVEZJDDTAKH-UHFFFAOYSA-N 0 3 298.390 1.742 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001275833321 932076001 /nfs/dbraw/zinc/07/60/01/932076001.db2.gz GZLJJLVXEMXEEI-IYBDPMFKSA-N 0 3 275.396 1.267 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000930351545 933363989 /nfs/dbraw/zinc/36/39/89/933363989.db2.gz PIMJHUPEQBEIGB-ZDUSSCGKSA-N 0 3 253.342 1.348 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000930351545 933363998 /nfs/dbraw/zinc/36/39/98/933363998.db2.gz PIMJHUPEQBEIGB-ZDUSSCGKSA-N 0 3 253.342 1.348 20 10 CDCDHN CCN(C(=O)c1cc(O)c([O-])c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC001161344714 938893658 /nfs/dbraw/zinc/89/36/58/938893658.db2.gz AYUUXRSUJODODO-SNVBAGLBSA-N 0 3 280.324 1.018 20 10 CDCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1 ZINC001203551845 939692862 /nfs/dbraw/zinc/69/28/62/939692862.db2.gz QFCSMUOSXSDPCV-BPLDGKMQSA-N 0 3 290.363 1.212 20 10 CDCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1 ZINC001203551845 939692864 /nfs/dbraw/zinc/69/28/64/939692864.db2.gz QFCSMUOSXSDPCV-BPLDGKMQSA-N 0 3 290.363 1.212 20 10 CDCDHN OC[C@@H]1CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875900 939710392 /nfs/dbraw/zinc/71/03/92/939710392.db2.gz YICXSNULWSANGG-LLVKDONJSA-N 0 3 251.326 1.692 20 10 CDCDHN CC[N@H+](CCn1ccnc1)Cc1ccc(O)cc1[O-] ZINC001204278040 939751244 /nfs/dbraw/zinc/75/12/44/939751244.db2.gz QJINZOUMTTUZGS-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN CC[N@@H+](CCn1ccnc1)Cc1ccc(O)cc1[O-] ZINC001204278040 939751245 /nfs/dbraw/zinc/75/12/45/939751245.db2.gz QJINZOUMTTUZGS-UHFFFAOYSA-N 0 3 261.325 1.816 20 10 CDCDHN C[C@H]([NH2+]CCN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000405415313 940987120 /nfs/dbraw/zinc/98/71/20/940987120.db2.gz OQOXCVWDTMZINK-JTQLQIEISA-N 0 3 266.316 1.804 20 10 CDCDHN COc1cc(C)c(CN2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276805987 941356252 /nfs/dbraw/zinc/35/62/52/941356252.db2.gz FKXQMFDJVIGFLM-BETUJISGSA-N 0 3 292.379 1.224 20 10 CDCDHN Cc1cc(C)c(CNC(=O)[C@@H](N)CC(F)F)c(O)c1 ZINC001220825617 941475128 /nfs/dbraw/zinc/47/51/28/941475128.db2.gz ONCMEAYHMVZDEJ-JTQLQIEISA-N 0 3 272.295 1.608 20 10 CDCDHN COC(=O)N1CCCN(Cc2cccc(C)c2O)CC1 ZINC001231591905 942939305 /nfs/dbraw/zinc/93/93/05/942939305.db2.gz MDIIYHXGIVLUSM-UHFFFAOYSA-N 0 3 278.352 1.975 20 10 CDCDHN CN(C)c1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC001232838699 943415589 /nfs/dbraw/zinc/41/55/89/943415589.db2.gz BZOBQBQCJFBMNN-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN [NH3+][C@@]12CC[C@H]1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001235988241 944351677 /nfs/dbraw/zinc/35/16/77/944351677.db2.gz FYDWAHBFBOMAGJ-TVQRCGJNSA-N 0 3 268.744 1.674 20 10 CDCDHN CCc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001236792787 944571443 /nfs/dbraw/zinc/57/14/43/944571443.db2.gz RLFLCGQLLQGCHJ-GXTWGEPZSA-N 0 3 274.364 1.523 20 10 CDCDHN CCc1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001236792787 944571449 /nfs/dbraw/zinc/57/14/49/944571449.db2.gz RLFLCGQLLQGCHJ-GXTWGEPZSA-N 0 3 274.364 1.523 20 10 CDCDHN CCc1ccc(CN2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001236793743 944571460 /nfs/dbraw/zinc/57/14/60/944571460.db2.gz FEANDTLCDPYWJO-UHFFFAOYSA-N 0 3 262.353 1.475 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1[O-] ZINC001237681398 944923777 /nfs/dbraw/zinc/92/37/77/944923777.db2.gz OYKHKXWJIQZCOG-GXFFZTMASA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001237681398 944923770 /nfs/dbraw/zinc/92/37/70/944923770.db2.gz OYKHKXWJIQZCOG-GXFFZTMASA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1[O-] ZINC001237681398 944923781 /nfs/dbraw/zinc/92/37/81/944923781.db2.gz OYKHKXWJIQZCOG-GXFFZTMASA-N 0 3 285.771 1.529 20 10 CDCDHN COC(=O)CC[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238066105 945047890 /nfs/dbraw/zinc/04/78/90/945047890.db2.gz HZHSNMHJBJXORI-UHFFFAOYSA-N 0 3 255.289 1.835 20 10 CDCDHN COC(=O)CC[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238066105 945047900 /nfs/dbraw/zinc/04/79/00/945047900.db2.gz HZHSNMHJBJXORI-UHFFFAOYSA-N 0 3 255.289 1.835 20 10 CDCDHN COC(=O)Cc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001249171624 949433858 /nfs/dbraw/zinc/43/38/58/949433858.db2.gz DNVPEQNRACQNBT-MFKMUULPSA-N 0 3 281.327 1.898 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c([O-])c1 ZINC001249171624 949433869 /nfs/dbraw/zinc/43/38/69/949433869.db2.gz DNVPEQNRACQNBT-MFKMUULPSA-N 0 3 281.327 1.898 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c([O-])c1 ZINC001249171624 949433882 /nfs/dbraw/zinc/43/38/82/949433882.db2.gz DNVPEQNRACQNBT-MFKMUULPSA-N 0 3 281.327 1.898 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC(C)(C)C ZINC001253692088 952039928 /nfs/dbraw/zinc/03/99/28/952039928.db2.gz VHGHOQWBUNZYNA-ZDUSSCGKSA-N 0 3 281.352 1.527 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC(C)(C)C ZINC001253692088 952039935 /nfs/dbraw/zinc/03/99/35/952039935.db2.gz VHGHOQWBUNZYNA-ZDUSSCGKSA-N 0 3 281.352 1.527 20 10 CDCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1C1CC1 ZINC001308303257 956514421 /nfs/dbraw/zinc/51/44/21/956514421.db2.gz GIKULNVDAKBBNI-CYBMUJFWSA-N 0 3 272.348 1.474 20 10 CDCDHN Nc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC001338733071 961969029 /nfs/dbraw/zinc/96/90/29/961969029.db2.gz XPTSFFNOVAMQGY-ZDUSSCGKSA-N 0 3 274.368 1.305 20 10 CDCDHN COCCOCCOCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000274457158 365671772 /nfs/dbraw/zinc/67/17/72/365671772.db2.gz UIJWIZIOVSXENU-UHFFFAOYSA-N 0 3 297.395 1.860 20 10 CDCDHN C[C@H](CC(C)(C)O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295096162 199342322 /nfs/dbraw/zinc/34/23/22/199342322.db2.gz SBVGCDXEGPHBBV-SECBINFHSA-N 0 3 267.325 1.760 20 10 CDCDHN Cc1nn(C)c(C)c1CNCc1cc2c(cc1O)OCO2 ZINC000112018076 365853681 /nfs/dbraw/zinc/85/36/81/365853681.db2.gz XCYFFDZLLHRPHL-UHFFFAOYSA-N 0 3 289.335 1.761 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCO)C1CCOCC1 ZINC000275814836 366021510 /nfs/dbraw/zinc/02/15/10/366021510.db2.gz DRQVDAFHRJOQKT-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCO)C1CCOCC1 ZINC000275814836 366021516 /nfs/dbraw/zinc/02/15/16/366021516.db2.gz DRQVDAFHRJOQKT-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037751965 356529159 /nfs/dbraw/zinc/52/91/59/356529159.db2.gz KOIIODDQLGUWFN-GFCCVEGCSA-N 0 3 263.385 1.882 20 10 CDCDHN C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179586328 357213803 /nfs/dbraw/zinc/21/38/03/357213803.db2.gz RWDISWPSBWUKKG-VXGBXAGGSA-N 0 3 282.359 1.694 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1[O-] ZINC000180175225 357249885 /nfs/dbraw/zinc/24/98/85/357249885.db2.gz QAHUOPCXORWUSE-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](OCCO)C2)c1[O-] ZINC000180175225 357249887 /nfs/dbraw/zinc/24/98/87/357249887.db2.gz QAHUOPCXORWUSE-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1O ZINC000180578627 357276584 /nfs/dbraw/zinc/27/65/84/357276584.db2.gz TTWKKMVDVDXQRG-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN OC[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000187666253 357791581 /nfs/dbraw/zinc/79/15/81/357791581.db2.gz GLDHMZCQMFULHC-IRXDYDNUSA-N 0 3 290.407 1.604 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191182359 358118078 /nfs/dbraw/zinc/11/80/78/358118078.db2.gz NPJCSLCDWRIIMU-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191182359 358118079 /nfs/dbraw/zinc/11/80/79/358118079.db2.gz NPJCSLCDWRIIMU-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(O)c1[O-] ZINC000193131548 358268159 /nfs/dbraw/zinc/26/81/59/358268159.db2.gz OOJYGPSODXMTDA-NSHDSACASA-N 0 3 296.367 1.184 20 10 CDCDHN COc1cccc(CNC(=O)C2CCN(C)CC2)c1O ZINC000269208194 364157690 /nfs/dbraw/zinc/15/76/90/364157690.db2.gz UXGUIZKSJRJRIQ-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c([O-])c1 ZINC000181232500 365025374 /nfs/dbraw/zinc/02/53/74/365025374.db2.gz IJAHQLDPKNQHNI-GFCCVEGCSA-N 0 3 278.352 1.210 20 10 CDCDHN CC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272649642 365337327 /nfs/dbraw/zinc/33/73/27/365337327.db2.gz JWIMPHZVJKGREW-UHFFFAOYSA-N 0 3 278.352 1.620 20 10 CDCDHN CC[C@H](N[C@@H](CO)COC)c1ccc(N(C)C)cc1 ZINC000281159372 367597391 /nfs/dbraw/zinc/59/73/91/367597391.db2.gz PBAKJNCROYIWDF-ZFWWWQNUSA-N 0 3 266.385 1.801 20 10 CDCDHN O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)O1 ZINC000375560359 370862646 /nfs/dbraw/zinc/86/26/46/370862646.db2.gz YRMSYCICFCNXHQ-CQSZACIVSA-N 0 3 262.309 1.467 20 10 CDCDHN O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)O1 ZINC000375560359 370862644 /nfs/dbraw/zinc/86/26/44/370862644.db2.gz YRMSYCICFCNXHQ-CQSZACIVSA-N 0 3 262.309 1.467 20 10 CDCDHN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000273405936 371162417 /nfs/dbraw/zinc/16/24/17/371162417.db2.gz HBKUAICEMAPITH-MRVPVSSYSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1nc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])n[nH]1 ZINC000273405936 371162423 /nfs/dbraw/zinc/16/24/23/371162423.db2.gz HBKUAICEMAPITH-MRVPVSSYSA-N 0 3 264.304 1.851 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000133335111 390902327 /nfs/dbraw/zinc/90/23/27/390902327.db2.gz AGLWHVPZEXOCNW-UHFFFAOYSA-N 0 3 262.353 1.659 20 10 CDCDHN OCC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000127090281 390922165 /nfs/dbraw/zinc/92/21/65/390922165.db2.gz YPJKDYSCIBHNCB-UHFFFAOYSA-N 0 3 265.309 1.325 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000373739383 391130080 /nfs/dbraw/zinc/13/00/80/391130080.db2.gz XFYHGNGIIRHNGN-LNSITVRQSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000373739383 391130082 /nfs/dbraw/zinc/13/00/82/391130082.db2.gz XFYHGNGIIRHNGN-LNSITVRQSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000176750791 391157596 /nfs/dbraw/zinc/15/75/96/391157596.db2.gz PSFYSYVPQHFIPV-CYBMUJFWSA-N 0 3 253.367 1.658 20 10 CDCDHN CC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000177191198 391166145 /nfs/dbraw/zinc/16/61/45/391166145.db2.gz KPJDPEHLJYJJLF-UHFFFAOYSA-N 0 3 265.309 1.468 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C(C)(C)CCO)cc1OC ZINC000182220730 391232569 /nfs/dbraw/zinc/23/25/69/391232569.db2.gz KYEORPDVGAWRSF-UHFFFAOYSA-N 0 3 269.341 1.660 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](OCCO)C2)c1 ZINC000179579459 391212882 /nfs/dbraw/zinc/21/28/82/391212882.db2.gz YLJGYEKYZFIUNF-OAHLLOKOSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179579459 391212885 /nfs/dbraw/zinc/21/28/85/391212885.db2.gz YLJGYEKYZFIUNF-OAHLLOKOSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179579459 391212887 /nfs/dbraw/zinc/21/28/87/391212887.db2.gz YLJGYEKYZFIUNF-OAHLLOKOSA-N 0 3 295.379 1.764 20 10 CDCDHN CC(C)N(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183420507 391264755 /nfs/dbraw/zinc/26/47/55/391264755.db2.gz CUADSFZGGKLHEX-NSHDSACASA-N 0 3 280.368 1.485 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CC[S@@](C)=O)c1 ZINC000164758332 391290241 /nfs/dbraw/zinc/29/02/41/391290241.db2.gz IRVGVIAJQGLVQS-MGNBDDOMSA-N 0 3 271.382 1.648 20 10 CDCDHN CCOc1cccc(C[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000134225367 393245951 /nfs/dbraw/zinc/24/59/51/393245951.db2.gz VCKFFOOMDDOIRO-UHFFFAOYSA-N 0 3 278.352 1.407 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135761116 393311589 /nfs/dbraw/zinc/31/15/89/393311589.db2.gz LLDBVFLQSDQUOB-JTQLQIEISA-N 0 3 280.368 1.794 20 10 CDCDHN CNCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167860790 261408331 /nfs/dbraw/zinc/40/83/31/261408331.db2.gz BSFRQZYTNCAHHJ-UHFFFAOYSA-N 0 3 275.396 1.759 20 10 CDCDHN C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)ccc1[O-] ZINC000186511566 262096529 /nfs/dbraw/zinc/09/65/29/262096529.db2.gz LSRRULVBWLPEGY-SECBINFHSA-N 0 3 292.314 1.335 20 10 CDCDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187007439 262121211 /nfs/dbraw/zinc/12/12/11/262121211.db2.gz MKSDDYYFISOLJJ-VXGBXAGGSA-N 0 3 292.379 1.948 20 10 CDCDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187007439 262121213 /nfs/dbraw/zinc/12/12/13/262121213.db2.gz MKSDDYYFISOLJJ-VXGBXAGGSA-N 0 3 292.379 1.948 20 10 CDCDHN CCN(CC)c1ccc(CNCCS(=O)(=O)NC)cc1 ZINC000190311459 264357769 /nfs/dbraw/zinc/35/77/69/264357769.db2.gz KSEKSUUVWJRGMA-UHFFFAOYSA-N 0 3 299.440 1.172 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000187986659 329364744 /nfs/dbraw/zinc/36/47/44/329364744.db2.gz QEHRNRVTVRUSCJ-ZYHUDNBSSA-N 0 3 251.326 1.651 20 10 CDCDHN Cc1ccc(O)c(CN[C@H](C)CS(C)(=O)=O)c1 ZINC000078639592 330327082 /nfs/dbraw/zinc/32/70/82/330327082.db2.gz KPCSSEJCDNSAOK-SNVBAGLBSA-N 0 3 257.355 1.223 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1OC ZINC000274992696 520430700 /nfs/dbraw/zinc/43/07/00/520430700.db2.gz ZFZFKYCWQINEGY-NJZAAPMLSA-N 0 3 281.352 1.683 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000265240529 521152918 /nfs/dbraw/zinc/15/29/18/521152918.db2.gz LEAANZMPUPWJCL-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN CCOC(CC[NH2+]Cc1cc2c(cc1[O-])OCO2)OCC ZINC000276264603 521629700 /nfs/dbraw/zinc/62/97/00/521629700.db2.gz URHMOJDESCAYJG-UHFFFAOYSA-N 0 3 297.351 2.000 20 10 CDCDHN CC[C@@H]([NH2+]CC1(CO)COC1)c1ccc(C)cc1[O-] ZINC000280094035 522821297 /nfs/dbraw/zinc/82/12/97/522821297.db2.gz MSCHTBFOZZKBNB-CYBMUJFWSA-N 0 3 265.353 1.750 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000276014316 523245983 /nfs/dbraw/zinc/24/59/83/523245983.db2.gz QIIBUWXTUICOBM-UHFFFAOYSA-N 0 3 299.367 1.240 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000276014316 523245993 /nfs/dbraw/zinc/24/59/93/523245993.db2.gz QIIBUWXTUICOBM-UHFFFAOYSA-N 0 3 299.367 1.240 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)F)c1 ZINC000280941406 525359944 /nfs/dbraw/zinc/35/99/44/525359944.db2.gz SMHYTDWMCXZXLT-SECBINFHSA-N 0 3 272.295 1.733 20 10 CDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000368975405 526986802 /nfs/dbraw/zinc/98/68/02/526986802.db2.gz RAYGUIVNLZQVMN-OSMZGAPFSA-N 0 3 260.337 1.478 20 10 CDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000368975405 526986807 /nfs/dbraw/zinc/98/68/07/526986807.db2.gz RAYGUIVNLZQVMN-OSMZGAPFSA-N 0 3 260.337 1.478 20 10 CDCDHN COc1cccc(C[NH+]2CCC(OCCO)CC2)c1[O-] ZINC000769537028 575357625 /nfs/dbraw/zinc/35/76/25/575357625.db2.gz GUPUCWIEKQSCAQ-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCCN(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773750106 575837730 /nfs/dbraw/zinc/83/77/30/575837730.db2.gz UFKNHSMAXMBRMJ-NSHDSACASA-N 0 3 280.368 1.487 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000765797248 576056718 /nfs/dbraw/zinc/05/67/18/576056718.db2.gz RBYQHCGCDHXZTD-RYUDHWBXSA-N 0 3 278.352 1.405 20 10 CDCDHN C[C@H]1COCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465949 576287798 /nfs/dbraw/zinc/28/77/98/576287798.db2.gz UEPULPRSCUDMFS-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@H]1COCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465949 576287801 /nfs/dbraw/zinc/28/78/01/576287801.db2.gz UEPULPRSCUDMFS-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768466177 576287811 /nfs/dbraw/zinc/28/78/11/576287811.db2.gz NNJQNTMWYVGSAQ-ISTVAULSSA-N 0 3 263.337 1.906 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768466177 576287814 /nfs/dbraw/zinc/28/78/14/576287814.db2.gz NNJQNTMWYVGSAQ-ISTVAULSSA-N 0 3 263.337 1.906 20 10 CDCDHN Cc1cc(O)c(CNC[C@@H](C)S(C)(=O)=O)cc1C ZINC000754084820 576878799 /nfs/dbraw/zinc/87/87/99/576878799.db2.gz CRUAWLUFTCINMK-LLVKDONJSA-N 0 3 271.382 1.532 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895749639 619825919 /nfs/dbraw/zinc/82/59/19/619825919.db2.gz UOQYBWLUBPAVHP-QWHCGFSZSA-N 0 3 265.353 1.720 20 10 CDCDHN COC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000794833462 1164627670 /nfs/dbraw/zinc/62/76/70/1164627670.db2.gz DSCRKWDPZLRXQX-YWVKMMECSA-N 0 3 269.316 1.677 20 10 CDCDHN COc1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1O ZINC001574041301 1170869626 /nfs/dbraw/zinc/86/96/26/1170869626.db2.gz FGRNDXZSDIKNCV-GFCCVEGCSA-N 0 3 266.341 1.390 20 10 CDCDHN CCCNC(=O)CNCc1ccc(N2CCCC2)cc1 ZINC000037262590 1165763037 /nfs/dbraw/zinc/76/30/37/1165763037.db2.gz KALVYDCNCGUCQN-UHFFFAOYSA-N 0 3 275.396 1.903 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CN1CCCC1=O ZINC000876950799 1165946731 /nfs/dbraw/zinc/94/67/31/1165946731.db2.gz WNPYIWJRYZXHQN-GFCCVEGCSA-N 0 3 262.353 1.801 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877345221 1166021448 /nfs/dbraw/zinc/02/14/48/1166021448.db2.gz YGIKGFZSVPCZMH-ZFWWWQNUSA-N 0 3 265.353 1.984 20 10 CDCDHN CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649143 1166391751 /nfs/dbraw/zinc/39/17/51/1166391751.db2.gz MRCCIYCQHBQJTM-ZJUUUORDSA-N 0 3 279.340 1.277 20 10 CDCDHN CC(C)(CNCc1ccc2c(c1)CCO2)NS(C)(=O)=O ZINC000067005873 901575122 /nfs/dbraw/zinc/57/51/22/901575122.db2.gz IXSXZJSSVXZIRC-UHFFFAOYSA-N 0 3 298.408 1.039 20 10 CDCDHN CC(C)N(CCN(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841958994 908836048 /nfs/dbraw/zinc/83/60/48/908836048.db2.gz JYEYNXKEJRZZOG-UHFFFAOYSA-N 0 3 292.427 1.793 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000827141806 936493548 /nfs/dbraw/zinc/49/35/48/936493548.db2.gz YCSDTELEKDGMIF-AAEUAGOBSA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000827141806 936493549 /nfs/dbraw/zinc/49/35/49/936493549.db2.gz YCSDTELEKDGMIF-AAEUAGOBSA-N 0 3 290.363 1.501 20 10 CDCDHN OCC1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337809 936522240 /nfs/dbraw/zinc/52/22/40/936522240.db2.gz ZVOMNWQOYGPHNS-UHFFFAOYSA-N 0 3 288.391 1.515 20 10 CDCDHN C[C@H](NC(=O)c1cc([O-])cs1)C1=CC[N@H+](C)CC1 ZINC000831937143 936547645 /nfs/dbraw/zinc/54/76/45/936547645.db2.gz RCOVCTUIPKGLFN-VIFPVBQESA-N 0 3 266.366 1.834 20 10 CDCDHN C[C@H](NC(=O)c1cc([O-])cs1)C1=CC[N@@H+](C)CC1 ZINC000831937143 936547647 /nfs/dbraw/zinc/54/76/47/936547647.db2.gz RCOVCTUIPKGLFN-VIFPVBQESA-N 0 3 266.366 1.834 20 10 CDCDHN COc1cccc(CN2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001203586117 919065105 /nfs/dbraw/zinc/06/51/05/919065105.db2.gz YOIRGMUNUHLQDX-MNOVXSKESA-N 0 3 255.289 1.306 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001203558313 919484548 /nfs/dbraw/zinc/48/45/48/919484548.db2.gz DAKREFOOMCSLHU-UHFFFAOYSA-N 0 3 258.325 1.821 20 10 CDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000827812421 936608087 /nfs/dbraw/zinc/60/80/87/936608087.db2.gz NBBUZQNSELQCGD-JLIMDTESSA-N 0 3 253.273 1.573 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1F ZINC000827900699 936613178 /nfs/dbraw/zinc/61/31/78/936613178.db2.gz GVKIYEVLORCRNA-CQSZACIVSA-N 0 3 279.359 1.635 20 10 CDCDHN C[C@H]1COCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834566319 936693570 /nfs/dbraw/zinc/69/35/70/936693570.db2.gz JTMJIDFZIQWFNI-GXTWGEPZSA-N 0 3 276.380 1.690 20 10 CDCDHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835075016 936716598 /nfs/dbraw/zinc/71/65/98/936716598.db2.gz UJGYWFALLPANIB-STQMWFEESA-N 0 3 278.327 1.774 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031254 936795072 /nfs/dbraw/zinc/79/50/72/936795072.db2.gz AGWVFTMBSNUGDY-GWCFXTLKSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031254 936795074 /nfs/dbraw/zinc/79/50/74/936795074.db2.gz AGWVFTMBSNUGDY-GWCFXTLKSA-N 0 3 281.352 1.612 20 10 CDCDHN CO[C@H](C)C1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145356 936819980 /nfs/dbraw/zinc/81/99/80/936819980.db2.gz UZQYFHYEPYWOPF-GFCCVEGCSA-N 0 3 276.380 1.982 20 10 CDCDHN COCCN(CCOC)Cc1cc(O)ccc1O ZINC001141156548 936821338 /nfs/dbraw/zinc/82/13/38/936821338.db2.gz ZQJOYCJPFNQVHH-UHFFFAOYSA-N 0 3 255.314 1.193 20 10 CDCDHN [NH3+]C[C@]1(O)CCCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001205690904 924518554 /nfs/dbraw/zinc/51/85/54/924518554.db2.gz YUAIBHKAUWEWLL-CQSZACIVSA-N 0 3 284.787 1.721 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCCS(C)(=O)=O ZINC000840931148 936968953 /nfs/dbraw/zinc/96/89/53/936968953.db2.gz UAGGEUQOWZIHQX-UHFFFAOYSA-N 0 3 270.398 1.195 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c([O-])c1 ZINC000840962709 936969901 /nfs/dbraw/zinc/96/99/01/936969901.db2.gz MYNILTUHVCGEPW-DZGCQCFKSA-N 0 3 295.379 1.668 20 10 CDCDHN COCCNCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841047687 936972902 /nfs/dbraw/zinc/97/29/02/936972902.db2.gz GQRLNRQOBYSBGV-UHFFFAOYSA-N 0 3 276.739 1.510 20 10 CDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1C ZINC000775984363 925755752 /nfs/dbraw/zinc/75/57/52/925755752.db2.gz FUSZPIQYURAGBF-GHMZBOCLSA-N 0 3 278.352 1.645 20 10 CDCDHN CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843483824 937155348 /nfs/dbraw/zinc/15/53/48/937155348.db2.gz FKXRDXSPSAKPJB-ZIAGYGMSSA-N 0 3 292.379 1.637 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@H]2COCCO2)cc1OC ZINC000853557562 928044185 /nfs/dbraw/zinc/04/41/85/928044185.db2.gz MCFXJVIRMYRWDQ-LBPRGKRZSA-N 0 3 297.351 1.257 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)OC)c1 ZINC000858586581 928892785 /nfs/dbraw/zinc/89/27/85/928892785.db2.gz FQATZQWKAYKVSX-VHSXEESVSA-N 0 3 282.340 1.460 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000787422024 929367705 /nfs/dbraw/zinc/36/77/05/929367705.db2.gz XSOPCUOZIJXTHP-BXKDBHETSA-N 0 3 267.300 1.915 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000787422024 929367717 /nfs/dbraw/zinc/36/77/17/929367717.db2.gz XSOPCUOZIJXTHP-BXKDBHETSA-N 0 3 267.300 1.915 20 10 CDCDHN CC(C)OCC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000788274573 929501980 /nfs/dbraw/zinc/50/19/80/929501980.db2.gz JDCPHAZHTOCKFL-AWEZNQCLSA-N 0 3 267.369 2.000 20 10 CDCDHN CC(C)OCC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000788274573 929501987 /nfs/dbraw/zinc/50/19/87/929501987.db2.gz JDCPHAZHTOCKFL-AWEZNQCLSA-N 0 3 267.369 2.000 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000775156307 929667458 /nfs/dbraw/zinc/66/74/58/929667458.db2.gz PWKVCNGVXLEZIO-UHFFFAOYSA-N 0 3 280.343 1.486 20 10 CDCDHN CCN(C)c1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000815108531 929948486 /nfs/dbraw/zinc/94/84/86/929948486.db2.gz YXZQBGLJRWGSMQ-SWLSCSKDSA-N 0 3 275.396 1.757 20 10 CDCDHN O=C1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1CC1CC1 ZINC000883396811 930193567 /nfs/dbraw/zinc/19/35/67/930193567.db2.gz XJKWLFVADCGRQW-KGLIPLIRSA-N 0 3 286.375 1.980 20 10 CDCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1CC1CC1 ZINC000883404267 930195250 /nfs/dbraw/zinc/19/52/50/930195250.db2.gz VHTZUWWKGXWPNB-HNNXBMFYSA-N 0 3 286.375 1.722 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)[C@@H](O)CO2 ZINC000799957442 937402344 /nfs/dbraw/zinc/40/23/44/937402344.db2.gz OSVNHZRCKFZHBU-AWEZNQCLSA-N 0 3 291.347 1.573 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCCN2)c1 ZINC000817949689 930644556 /nfs/dbraw/zinc/64/45/56/930644556.db2.gz MIWYUKGWTWESNZ-YPMHNXCESA-N 0 3 292.379 1.972 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949689 930644565 /nfs/dbraw/zinc/64/45/65/930644565.db2.gz MIWYUKGWTWESNZ-YPMHNXCESA-N 0 3 292.379 1.972 20 10 CDCDHN CC[C@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981147 930654463 /nfs/dbraw/zinc/65/44/63/930654463.db2.gz ZMBZMQCLSDIOMD-IUCAKERBSA-N 0 3 253.302 1.688 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229555 930832040 /nfs/dbraw/zinc/83/20/40/930832040.db2.gz ROCAYSMPNDEALI-QWHCGFSZSA-N 0 3 251.326 1.412 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000825196753 931496558 /nfs/dbraw/zinc/49/65/58/931496558.db2.gz OHJDZKVETGQGEJ-QMTHXVAHSA-N 0 3 281.308 1.014 20 10 CDCDHN COc1ccc(CNC(=O)C2(N(C)C)CCC2)c(O)c1 ZINC000794378843 932119009 /nfs/dbraw/zinc/11/90/09/932119009.db2.gz WVVMKWFALHIDSL-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCO[C@@H]1CCOC1)CC2 ZINC000927082684 933043718 /nfs/dbraw/zinc/04/37/18/933043718.db2.gz HIVRVQIRHPKLMH-CHWSQXEVSA-N 0 3 263.337 1.775 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000779050919 934382654 /nfs/dbraw/zinc/38/26/54/934382654.db2.gz YWIDSOKIJOCSAI-GFCCVEGCSA-N 0 3 251.257 1.948 20 10 CDCDHN CCOc1ccc(C[NH2+]CCC2(O)CCOCC2)c([O-])c1 ZINC000796465798 935279910 /nfs/dbraw/zinc/27/99/10/935279910.db2.gz LDTBDWHPYISMFC-UHFFFAOYSA-N 0 3 295.379 1.812 20 10 CDCDHN CN1CCN(c2ccc(CNc3cc(N)ncn3)cc2)CC1 ZINC001156658187 938402176 /nfs/dbraw/zinc/40/21/76/938402176.db2.gz URXCAVWPLIZDFI-UHFFFAOYSA-N 0 3 298.394 1.423 20 10 CDCDHN O=C([C@@H]1C[C@@H](F)CCN1)N1CCc2cccc(O)c2C1 ZINC001160871906 938835195 /nfs/dbraw/zinc/83/51/95/938835195.db2.gz BECFRKIYMDAZOJ-AAEUAGOBSA-N 0 3 278.327 1.367 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2cccc(OC)c2O)CCCO1 ZINC001203599232 939695498 /nfs/dbraw/zinc/69/54/98/939695498.db2.gz DWYIMEHOIXRRLH-CYBMUJFWSA-N 0 3 295.335 1.165 20 10 CDCDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882515 939711615 /nfs/dbraw/zinc/71/16/15/939711615.db2.gz KDKNHRQVIORHDN-CMPLNLGQSA-N 0 3 279.336 1.729 20 10 CDCDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204272446 939750182 /nfs/dbraw/zinc/75/01/82/939750182.db2.gz ANEKDJBDUXTSIV-INIZCTEOSA-N 0 3 290.363 1.685 20 10 CDCDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204272446 939750183 /nfs/dbraw/zinc/75/01/83/939750183.db2.gz ANEKDJBDUXTSIV-INIZCTEOSA-N 0 3 290.363 1.685 20 10 CDCDHN c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204320930 939755481 /nfs/dbraw/zinc/75/54/81/939755481.db2.gz ABUORFSOMLGYAF-UHFFFAOYSA-N 0 3 297.406 1.937 20 10 CDCDHN CC(C)N1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226465282 942010578 /nfs/dbraw/zinc/01/05/78/942010578.db2.gz RTUJQCDRUUKGPM-ZETCQYMHSA-N 0 3 285.296 1.076 20 10 CDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001277445469 942584129 /nfs/dbraw/zinc/58/41/29/942584129.db2.gz GTXCFJOCVHWCLC-WMLDXEAASA-N 0 3 284.359 1.755 20 10 CDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001277445469 942584133 /nfs/dbraw/zinc/58/41/33/942584133.db2.gz GTXCFJOCVHWCLC-WMLDXEAASA-N 0 3 284.359 1.755 20 10 CDCDHN COc1cc(CN2CCC[C@@]3(CCO3)C2)c(O)cc1O ZINC001231637378 942954848 /nfs/dbraw/zinc/95/48/48/942954848.db2.gz LLHHPLBMADKJOW-OAHLLOKOSA-N 0 3 279.336 1.861 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC(C)(N(C)C)C1 ZINC001231854062 943027834 /nfs/dbraw/zinc/02/78/34/943027834.db2.gz XXQHEHQHDMWNCC-UHFFFAOYSA-N 0 3 277.412 1.897 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC(CO)CC1 ZINC001231851283 943028760 /nfs/dbraw/zinc/02/87/60/943028760.db2.gz CLCCMQRHWXJDIQ-UHFFFAOYSA-N 0 3 278.396 1.966 20 10 CDCDHN COc1cc(Cl)cc(CN2CCN3CC[C@@H]3C2)c1O ZINC001233291382 943531823 /nfs/dbraw/zinc/53/18/23/943531823.db2.gz YOJLUNXJIXHKRT-GFCCVEGCSA-N 0 3 282.771 1.944 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482690 943590871 /nfs/dbraw/zinc/59/08/71/943590871.db2.gz YMLSWGPOOKCVJA-SECBINFHSA-N 0 3 281.308 1.188 20 10 CDCDHN Cc1cc([O-])c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234986402 943995986 /nfs/dbraw/zinc/99/59/86/943995986.db2.gz CREBZFFPMJRFFS-OAHLLOKOSA-N 0 3 295.814 1.491 20 10 CDCDHN [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001235998696 944367407 /nfs/dbraw/zinc/36/74/07/944367407.db2.gz YZAIIOKUHAJEML-GXFFZTMASA-N 0 3 252.745 1.969 20 10 CDCDHN C[N@H+](CCO)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001236255824 944439338 /nfs/dbraw/zinc/43/93/38/944439338.db2.gz IHZAOIHRHYXPCB-UHFFFAOYSA-N 0 3 265.231 1.715 20 10 CDCDHN C[N@@H+](CCO)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001236255824 944439342 /nfs/dbraw/zinc/43/93/42/944439342.db2.gz IHZAOIHRHYXPCB-UHFFFAOYSA-N 0 3 265.231 1.715 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Br ZINC001236298723 944457712 /nfs/dbraw/zinc/45/77/12/944457712.db2.gz UZBSOLWLLKPTLT-CMPLNLGQSA-N 0 3 297.196 1.867 20 10 CDCDHN OC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935177 945009133 /nfs/dbraw/zinc/00/91/33/945009133.db2.gz RAOLDPFPELUUKD-BXKDBHETSA-N 0 3 289.734 1.360 20 10 CDCDHN CCN(Cc1cc(F)cc(C)c1O)C1CN(C)C1 ZINC001238066765 945048410 /nfs/dbraw/zinc/04/84/10/945048410.db2.gz KSBBPOMSHCNHHN-UHFFFAOYSA-N 0 3 252.333 1.976 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001249177588 949444710 /nfs/dbraw/zinc/44/47/10/949444710.db2.gz FHCSLUWFQICCCJ-LLVKDONJSA-N 0 3 263.337 1.950 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001249177588 949444727 /nfs/dbraw/zinc/44/47/27/949444727.db2.gz FHCSLUWFQICCCJ-LLVKDONJSA-N 0 3 263.337 1.950 20 10 CDCDHN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CN2CCC1CC2 ZINC001339142813 962201278 /nfs/dbraw/zinc/20/12/78/962201278.db2.gz VAHFESCKZAXVLF-LSYFEZSPSA-N 0 3 288.347 1.321 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@@]2(O)CCOC2)cc1F ZINC001351328666 966913526 /nfs/dbraw/zinc/91/35/26/966913526.db2.gz DTDAQXSNTRUWMJ-AWEZNQCLSA-N 0 3 286.322 1.272 20 10 CDCDHN Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000848926774 969357855 /nfs/dbraw/zinc/35/78/55/969357855.db2.gz ZABWPABZABDOSY-LLVKDONJSA-N 0 3 276.315 1.307 20 10 CDCDHN CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025145 969414885 /nfs/dbraw/zinc/41/48/85/969414885.db2.gz PTQHYKVIWVFORL-SECBINFHSA-N 0 3 251.330 1.813 20 10 CDCDHN C[NH2+][C@H](C)CCN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663243 994631715 /nfs/dbraw/zinc/63/17/15/994631715.db2.gz CNVREPLMSIMESN-ZJUUUORDSA-N 0 3 266.341 1.739 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000093481404 342428623 /nfs/dbraw/zinc/42/86/23/342428623.db2.gz PNZKMXHWELDLAA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000093481404 342428624 /nfs/dbraw/zinc/42/86/24/342428624.db2.gz PNZKMXHWELDLAA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCO2 ZINC000295127589 199359315 /nfs/dbraw/zinc/35/93/15/199359315.db2.gz XNZHLOJFZFSOEI-ZDUSSCGKSA-N 0 3 298.408 1.039 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000188843956 357944385 /nfs/dbraw/zinc/94/43/85/357944385.db2.gz BRNYOTDHDOCMNS-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)CC2(O)CCOCC2)c1 ZINC000188843956 357944390 /nfs/dbraw/zinc/94/43/90/357944390.db2.gz BRNYOTDHDOCMNS-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CCOCCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000191571896 358139521 /nfs/dbraw/zinc/13/95/21/358139521.db2.gz RMOLKLVRKYLASF-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN CCOCCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000191571896 358139524 /nfs/dbraw/zinc/13/95/24/358139524.db2.gz RMOLKLVRKYLASF-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCN2CCC(O)CC2)cc1C ZINC000294866402 199220596 /nfs/dbraw/zinc/22/05/96/199220596.db2.gz OWFKDRFPRDEGIY-UHFFFAOYSA-N 0 3 278.396 1.555 20 10 CDCDHN C[C@H]([NH2+]CC(C)(C)OCCO)c1ccccc1[O-] ZINC000287170555 359270577 /nfs/dbraw/zinc/27/05/77/359270577.db2.gz CBQCIOGTBDOKDB-NSHDSACASA-N 0 3 253.342 1.830 20 10 CDCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)OCCO ZINC000297480656 200205664 /nfs/dbraw/zinc/20/56/64/200205664.db2.gz ZGVRLKRGFGAPET-GFCCVEGCSA-N 0 3 265.353 1.757 20 10 CDCDHN CN(C)[C@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1 ZINC000269223678 364161899 /nfs/dbraw/zinc/16/18/99/364161899.db2.gz BHCPTJDGHFKDJH-HNNXBMFYSA-N 0 3 293.436 1.365 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000271794147 364999477 /nfs/dbraw/zinc/99/94/77/364999477.db2.gz HNWOEOVGBLROMY-CYBMUJFWSA-N 0 3 253.367 1.658 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000272830978 365414871 /nfs/dbraw/zinc/41/48/71/365414871.db2.gz HWTBDOWGEPSCBE-CHWSQXEVSA-N 0 3 264.369 1.764 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)c([O-])c1 ZINC000284549275 368531091 /nfs/dbraw/zinc/53/10/91/368531091.db2.gz LIUKDGFEZIVOHX-DZGCQCFKSA-N 0 3 295.379 1.763 20 10 CDCDHN CCCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2CO)c([O-])c1 ZINC000284549275 368531096 /nfs/dbraw/zinc/53/10/96/368531096.db2.gz LIUKDGFEZIVOHX-DZGCQCFKSA-N 0 3 295.379 1.763 20 10 CDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000289171522 369528907 /nfs/dbraw/zinc/52/89/07/369528907.db2.gz XMWMEYZIIIPEKN-LBPRGKRZSA-N 0 3 278.400 1.502 20 10 CDCDHN Cc1c(/C=C/C(=O)N2C[C@H](N)Cc3ccccc32)cnn1C ZINC000493050833 253356701 /nfs/dbraw/zinc/35/67/01/253356701.db2.gz OYUCUAAARLWOOG-MVGZEHJDSA-N 0 3 296.374 1.658 20 10 CDCDHN Cc1cc(CN2CCO[C@H](CN(C)C)C2)ccc1N(C)C ZINC000293023009 291891364 /nfs/dbraw/zinc/89/13/64/291891364.db2.gz IJOYEQQMNIMJRR-MRXNPFEDSA-N 0 3 291.439 1.823 20 10 CDCDHN CCOc1cccc(CN(C)CCN2CCOCC2)c1O ZINC000092974776 390898773 /nfs/dbraw/zinc/89/87/73/390898773.db2.gz UYSMYYYYENFZDW-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000093718086 390903780 /nfs/dbraw/zinc/90/37/80/390903780.db2.gz KSJAQPJUVLUQNI-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000093718086 390903781 /nfs/dbraw/zinc/90/37/81/390903781.db2.gz KSJAQPJUVLUQNI-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CC(C)N(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183420527 391264326 /nfs/dbraw/zinc/26/43/26/391264326.db2.gz CUADSFZGGKLHEX-LLVKDONJSA-N 0 3 280.368 1.485 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1[O-] ZINC000183441837 391264769 /nfs/dbraw/zinc/26/47/69/391264769.db2.gz RZNRXFBVEDCCJT-ZDUSSCGKSA-N 0 3 278.396 1.890 20 10 CDCDHN C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1[O-] ZINC000183720475 391269106 /nfs/dbraw/zinc/26/91/06/391269106.db2.gz QPXSHQXYHXNVJO-JTQLQIEISA-N 0 3 274.324 1.196 20 10 CDCDHN CCN(CC[NH2+]Cc1cc(OC)ccc1[O-])C1CC1 ZINC000224577308 393124664 /nfs/dbraw/zinc/12/46/64/393124664.db2.gz HNQAFGGEDCGTKW-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN CN1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227440321 393208993 /nfs/dbraw/zinc/20/89/93/393208993.db2.gz VJAPLELAQWPQHJ-LLVKDONJSA-N 0 3 264.325 1.305 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000135728447 393309704 /nfs/dbraw/zinc/30/97/04/393309704.db2.gz DHVOKBWOIZYMMH-NSHDSACASA-N 0 3 280.368 1.966 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000062745043 287025781 /nfs/dbraw/zinc/02/57/81/287025781.db2.gz VZNQQPUIRCOEOH-CYBMUJFWSA-N 0 3 295.402 1.819 20 10 CDCDHN CCOCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000156089842 261113711 /nfs/dbraw/zinc/11/37/11/261113711.db2.gz GPQNCMGRNUXZNI-UHFFFAOYSA-N 0 3 253.298 1.589 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000156979430 261136831 /nfs/dbraw/zinc/13/68/31/261136831.db2.gz SZRKWURKGPXFCN-UHFFFAOYSA-N 0 3 280.324 1.079 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000156979430 261136833 /nfs/dbraw/zinc/13/68/33/261136833.db2.gz SZRKWURKGPXFCN-UHFFFAOYSA-N 0 3 280.324 1.079 20 10 CDCDHN C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[O-] ZINC000367594779 267102824 /nfs/dbraw/zinc/10/28/24/267102824.db2.gz SPKRAMQLBUWGEK-GASCZTMLSA-N 0 3 276.380 1.687 20 10 CDCDHN C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[O-] ZINC000367594779 267102829 /nfs/dbraw/zinc/10/28/29/267102829.db2.gz SPKRAMQLBUWGEK-GASCZTMLSA-N 0 3 276.380 1.687 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185830100 327846942 /nfs/dbraw/zinc/84/69/42/327846942.db2.gz XEPNJVKASFDIDU-SDDRHHMPSA-N 0 3 263.337 1.988 20 10 CDCDHN COCCOCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000290171024 328105276 /nfs/dbraw/zinc/10/52/76/328105276.db2.gz MWGWKVVJNMEWDT-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN COCCOCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000290171024 328105278 /nfs/dbraw/zinc/10/52/78/328105278.db2.gz MWGWKVVJNMEWDT-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC ZINC000293753921 328277607 /nfs/dbraw/zinc/27/76/07/328277607.db2.gz XCFYTXMSQBGUAK-TXEJJXNPSA-N 0 3 294.395 1.934 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1OC ZINC000274847867 520428376 /nfs/dbraw/zinc/42/83/76/520428376.db2.gz ATWGTJDAUXKUNH-YUTCNCBUSA-N 0 3 269.316 1.813 20 10 CDCDHN CC(C)C[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823765 519365782 /nfs/dbraw/zinc/36/57/82/519365782.db2.gz KPYTUCQDPMCVGC-LBPRGKRZSA-N 0 3 250.342 1.724 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](C)C(=O)NC)c1 ZINC000093899574 521140455 /nfs/dbraw/zinc/14/04/55/521140455.db2.gz KKMRJIFNSWQIMJ-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](C)C(=O)NC)c1 ZINC000093899574 521140463 /nfs/dbraw/zinc/14/04/63/521140463.db2.gz KKMRJIFNSWQIMJ-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN CCN(CCOCCO)Cc1ccc(N(C)C)cc1 ZINC000265819205 521144424 /nfs/dbraw/zinc/14/44/24/521144424.db2.gz KORVYFMEAHRESD-UHFFFAOYSA-N 0 3 266.385 1.583 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H]1CCCO1 ZINC000279386537 522363459 /nfs/dbraw/zinc/36/34/59/522363459.db2.gz JVKSHXKHLAFBAH-KGLIPLIRSA-N 0 3 265.353 1.984 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000274878186 522614644 /nfs/dbraw/zinc/61/46/44/522614644.db2.gz HANRRHPEPQRAKC-DZGCQCFKSA-N 0 3 275.352 1.900 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000260202886 523962430 /nfs/dbraw/zinc/96/24/30/523962430.db2.gz VFSOYKQHURMXLN-ZDUSSCGKSA-N 0 3 262.353 1.748 20 10 CDCDHN O=C([C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000290542241 526481631 /nfs/dbraw/zinc/48/16/31/526481631.db2.gz RHIGDXHJQXSBHR-GFCCVEGCSA-N 0 3 292.354 1.976 20 10 CDCDHN O=C([C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000290542241 526481634 /nfs/dbraw/zinc/48/16/34/526481634.db2.gz RHIGDXHJQXSBHR-GFCCVEGCSA-N 0 3 292.354 1.976 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c([O-])c1 ZINC000765268350 576003206 /nfs/dbraw/zinc/00/32/06/576003206.db2.gz VYOYCHBJHISEQT-CYBMUJFWSA-N 0 3 299.392 1.458 20 10 CDCDHN CCN(CCCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769483424 576357835 /nfs/dbraw/zinc/35/78/35/576357835.db2.gz QANDJOPXVAIDKP-UHFFFAOYSA-N 0 3 296.386 1.867 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000761222168 576561136 /nfs/dbraw/zinc/56/11/36/576561136.db2.gz IMCWPUUSELAHHU-OCCSQVGLSA-N 0 3 269.316 1.815 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743638975 576648670 /nfs/dbraw/zinc/64/86/70/576648670.db2.gz TXDKJZPSVDYLRB-BDAKNGLRSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743638975 576648671 /nfs/dbraw/zinc/64/86/71/576648671.db2.gz TXDKJZPSVDYLRB-BDAKNGLRSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000743638975 576648672 /nfs/dbraw/zinc/64/86/72/576648672.db2.gz TXDKJZPSVDYLRB-BDAKNGLRSA-N 0 3 254.355 1.666 20 10 CDCDHN COc1ccc(N2CCN(CC3(C)COC3)CC2)cc1 ZINC000743835922 576656322 /nfs/dbraw/zinc/65/63/22/576656322.db2.gz KSWBAKGVLDUVDT-UHFFFAOYSA-N 0 3 276.380 1.854 20 10 CDCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000757663535 577049315 /nfs/dbraw/zinc/04/93/15/577049315.db2.gz CBVROKSKVSKPSN-SMDDNHRTSA-N 0 3 289.379 1.674 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000759171819 577156802 /nfs/dbraw/zinc/15/68/02/577156802.db2.gz ASDCTSZDTGGGAE-GDBMZVCRSA-N 0 3 277.364 1.905 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818234217 618503394 /nfs/dbraw/zinc/50/33/94/618503394.db2.gz VKOXVXOZBJESHZ-GFCCVEGCSA-N 0 3 293.342 1.129 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895324454 619560926 /nfs/dbraw/zinc/56/09/26/619560926.db2.gz KSTZPWGPKFIVHX-GXTWGEPZSA-N 0 3 251.326 1.018 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895324454 619560929 /nfs/dbraw/zinc/56/09/29/619560929.db2.gz KSTZPWGPKFIVHX-GXTWGEPZSA-N 0 3 251.326 1.018 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895746856 619821730 /nfs/dbraw/zinc/82/17/30/619821730.db2.gz GMUCAVSUGPEQNM-STQMWFEESA-N 0 3 269.316 1.551 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000896141339 619999952 /nfs/dbraw/zinc/99/99/52/619999952.db2.gz MQIINOOOOZOQIJ-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000896141339 619999956 /nfs/dbraw/zinc/99/99/56/619999956.db2.gz MQIINOOOOZOQIJ-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN CCOC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000896962310 620325890 /nfs/dbraw/zinc/32/58/90/620325890.db2.gz KSDYPGNESDTDBI-SNVBAGLBSA-N 0 3 293.319 1.506 20 10 CDCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000911783036 629500225 /nfs/dbraw/zinc/50/02/25/629500225.db2.gz OYVKMDNEEZLCQI-BXUZGUMPSA-N 0 3 263.385 1.691 20 10 CDCDHN CN1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC000921644383 633121316 /nfs/dbraw/zinc/12/13/16/633121316.db2.gz PCNJASYXORNQGC-ZDUSSCGKSA-N 0 3 260.337 1.332 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000877489938 1166046936 /nfs/dbraw/zinc/04/69/36/1166046936.db2.gz RCOSPYBTVVEHNL-BXUZGUMPSA-N 0 3 251.326 1.330 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877494971 1166048214 /nfs/dbraw/zinc/04/82/14/1166048214.db2.gz QSAPXUPKTHZBSQ-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877494971 1166048221 /nfs/dbraw/zinc/04/82/21/1166048221.db2.gz QSAPXUPKTHZBSQ-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775131855 783654190 /nfs/dbraw/zinc/65/41/90/783654190.db2.gz XJKGOHFJMJTKDM-NSHDSACASA-N 0 3 271.382 1.868 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCN2C)c([O-])c1 ZINC000858235125 784103569 /nfs/dbraw/zinc/10/35/69/784103569.db2.gz DAYQEONCMJDHEB-CYBMUJFWSA-N 0 3 264.369 1.975 20 10 CDCDHN CC(=O)NCCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000830148433 784109626 /nfs/dbraw/zinc/10/96/26/784109626.db2.gz WRYWMOIQKUDNPS-UHFFFAOYSA-N 0 3 263.385 1.629 20 10 CDCDHN COC[C@@]1(CO)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877573346 784389573 /nfs/dbraw/zinc/38/95/73/784389573.db2.gz ORCAEBRRTKFQLH-HNNXBMFYSA-N 0 3 265.353 1.531 20 10 CDCDHN COC[C@@]1(CO)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877573346 784389582 /nfs/dbraw/zinc/38/95/82/784389582.db2.gz ORCAEBRRTKFQLH-HNNXBMFYSA-N 0 3 265.353 1.531 20 10 CDCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CNCCO1 ZINC000841098508 784459754 /nfs/dbraw/zinc/45/97/54/784459754.db2.gz HFSCLSJKCBOTLS-SECBINFHSA-N 0 3 256.733 1.124 20 10 CDCDHN O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840826815 784819283 /nfs/dbraw/zinc/81/92/83/784819283.db2.gz WJMULGDGIFOMGZ-VXGBXAGGSA-N 0 3 260.337 1.495 20 10 CDCDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])CC(F)F ZINC000862549632 785017004 /nfs/dbraw/zinc/01/70/04/785017004.db2.gz CHCNXYOHIHZMCX-UHFFFAOYSA-N 0 3 262.275 1.818 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817971489 785306745 /nfs/dbraw/zinc/30/67/45/785306745.db2.gz DOTVBHHCMJAQMB-DTWKUNHWSA-N 0 3 252.314 1.177 20 10 CDCDHN C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843052989 785840316 /nfs/dbraw/zinc/84/03/16/785840316.db2.gz SCMYAICDAHZKFM-JTQLQIEISA-N 0 3 295.339 1.350 20 10 CDCDHN CON1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000709372973 786223933 /nfs/dbraw/zinc/22/39/33/786223933.db2.gz FMWODMJPFDDIJA-ZDUSSCGKSA-N 0 3 262.353 1.995 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1 ZINC000858586578 786322477 /nfs/dbraw/zinc/32/24/77/786322477.db2.gz FQATZQWKAYKVSX-NXEZZACHSA-N 0 3 282.340 1.460 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000817281496 786811666 /nfs/dbraw/zinc/81/16/66/786811666.db2.gz XGECDRSJSGPZMW-CQSZACIVSA-N 0 3 261.369 1.463 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2n[nH]c(C)n2)c1 ZINC000392479046 786829631 /nfs/dbraw/zinc/82/96/31/786829631.db2.gz UKLVLVPZAQFDQN-MRVPVSSYSA-N 0 3 262.313 1.678 20 10 CDCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267761 786868609 /nfs/dbraw/zinc/86/86/09/786868609.db2.gz FBFQDOKRBYBIGF-VXGBXAGGSA-N 0 3 263.385 1.880 20 10 CDCDHN C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074942 787001580 /nfs/dbraw/zinc/00/15/80/787001580.db2.gz ODLXTGBPYOOFBQ-RISCZKNCSA-N 0 3 261.369 1.634 20 10 CDCDHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000130403986 787021587 /nfs/dbraw/zinc/02/15/87/787021587.db2.gz MWTDHBNNUDCNOC-IUODEOHRSA-N 0 3 291.395 1.438 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000706733395 787048816 /nfs/dbraw/zinc/04/88/16/787048816.db2.gz HCLBCEQQEJZDFO-GHMZBOCLSA-N 0 3 287.743 1.294 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000876625882 787419452 /nfs/dbraw/zinc/41/94/52/787419452.db2.gz IEGHXFUVGZVLOB-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000876625882 787419477 /nfs/dbraw/zinc/41/94/77/787419477.db2.gz IEGHXFUVGZVLOB-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN CN(Cc1cc(Br)ccc1[O-])[C@H]1CC[NH2+]C1 ZINC000220106999 787895747 /nfs/dbraw/zinc/89/57/47/787895747.db2.gz XSZIZBAODXDWJC-NSHDSACASA-N 0 3 285.185 1.948 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000780786227 788233083 /nfs/dbraw/zinc/23/30/83/788233083.db2.gz JIOMIBGGQDTUGV-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000780786227 788233102 /nfs/dbraw/zinc/23/31/02/788233102.db2.gz JIOMIBGGQDTUGV-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300435137 788383239 /nfs/dbraw/zinc/38/32/39/788383239.db2.gz OTACKHYLHRYECI-GXFFZTMASA-N 0 3 250.317 1.715 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000126500278 788844124 /nfs/dbraw/zinc/84/41/24/788844124.db2.gz VQRZPFVJIZNQPR-UWVGGRQHSA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000126500278 788844127 /nfs/dbraw/zinc/84/41/27/788844127.db2.gz VQRZPFVJIZNQPR-UWVGGRQHSA-N 0 3 264.325 1.310 20 10 CDCDHN O=C1NCCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000877782502 789120594 /nfs/dbraw/zinc/12/05/94/789120594.db2.gz BQFPVGJHFZQCLL-UHFFFAOYSA-N 0 3 278.327 1.633 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000876782207 789839866 /nfs/dbraw/zinc/83/98/66/789839866.db2.gz UUZSTWCEKQDAPV-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000876782207 789839868 /nfs/dbraw/zinc/83/98/68/789839868.db2.gz UUZSTWCEKQDAPV-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604131658 1167851316 /nfs/dbraw/zinc/85/13/16/1167851316.db2.gz BJOVOMYTAGULDJ-NXEZZACHSA-N 0 3 266.341 1.868 20 10 CDCDHN O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000694546858 898527224 /nfs/dbraw/zinc/52/72/24/898527224.db2.gz ZFQZJIRSWIIWLX-GFCCVEGCSA-N 0 3 287.356 1.588 20 10 CDCDHN COC(=O)C[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141161441 899833742 /nfs/dbraw/zinc/83/37/42/899833742.db2.gz ROKYRXITGCIGKM-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])CCN12 ZINC001172171473 911424258 /nfs/dbraw/zinc/42/42/58/911424258.db2.gz PECGBWQLCOXUQS-RYUDHWBXSA-N 0 3 276.336 1.341 20 10 CDCDHN COC(=O)N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001172740890 911887500 /nfs/dbraw/zinc/88/75/00/911887500.db2.gz CATXTEIARKZCHL-UHFFFAOYSA-N 0 3 290.363 1.981 20 10 CDCDHN COC(=O)N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001172740890 911887504 /nfs/dbraw/zinc/88/75/04/911887504.db2.gz CATXTEIARKZCHL-UHFFFAOYSA-N 0 3 290.363 1.981 20 10 CDCDHN c1c(CN2CCNC2)cc2c3c1CCCN3CCC2 ZINC001236844276 916742245 /nfs/dbraw/zinc/74/22/45/916742245.db2.gz RMPJPRKGLBZDGS-UHFFFAOYSA-N 0 3 257.381 1.748 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@H](F)[C@H](O)C3)ccc21 ZINC001138354205 936525318 /nfs/dbraw/zinc/52/53/18/936525318.db2.gz APWPMXRKZOFPOW-GOEBONIOSA-N 0 3 278.371 1.974 20 10 CDCDHN CN1CC2(C1)CN(Cc1ccc3c(c1)CCCN3C)C2 ZINC001138360422 936525638 /nfs/dbraw/zinc/52/56/38/936525638.db2.gz WVGDUFPQIOJPDR-UHFFFAOYSA-N 0 3 271.408 1.816 20 10 CDCDHN Cc1ccc(C)c(CN2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001140182104 936684838 /nfs/dbraw/zinc/68/48/38/936684838.db2.gz JBQZGJSXDDQBQH-CYBMUJFWSA-N 0 3 274.364 1.816 20 10 CDCDHN CCN(CC)c1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC001140851116 936764517 /nfs/dbraw/zinc/76/45/17/936764517.db2.gz CGGXZEABJLIYKH-UHFFFAOYSA-N 0 3 291.395 1.560 20 10 CDCDHN C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CCN1C ZINC001141144291 936819714 /nfs/dbraw/zinc/81/97/14/936819714.db2.gz YQTGFEVMFREHJC-CYBMUJFWSA-N 0 3 275.396 1.651 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141158858 936821996 /nfs/dbraw/zinc/82/19/96/936821996.db2.gz PFIMXMDSJOWMNE-NHAGDIPZSA-N 0 3 290.363 1.300 20 10 CDCDHN Oc1ccc(O)c(CN2CC[C@H](Oc3cnccn3)C2)c1 ZINC001141162794 936823908 /nfs/dbraw/zinc/82/39/08/936823908.db2.gz FCAZVVPOOLPAPC-ZDUSSCGKSA-N 0 3 287.319 1.541 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000843414935 937147015 /nfs/dbraw/zinc/14/70/15/937147015.db2.gz HAAIMPWDSVFNCL-CYBMUJFWSA-N 0 3 292.379 1.890 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](F)[C@@H](O)C2)c1O ZINC001203602412 939695738 /nfs/dbraw/zinc/69/57/38/939695738.db2.gz VKPXYWGMBILLJB-RYUDHWBXSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c(O)c1 ZINC001203628648 939698009 /nfs/dbraw/zinc/69/80/09/939698009.db2.gz FKUMXLKYVFPHOZ-TXEJJXNPSA-N 0 3 261.321 1.812 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001203628648 939698010 /nfs/dbraw/zinc/69/80/10/939698010.db2.gz FKUMXLKYVFPHOZ-TXEJJXNPSA-N 0 3 261.321 1.812 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001203628648 939698011 /nfs/dbraw/zinc/69/80/11/939698011.db2.gz FKUMXLKYVFPHOZ-TXEJJXNPSA-N 0 3 261.321 1.812 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c([O-])c1 ZINC001203635196 939698979 /nfs/dbraw/zinc/69/89/79/939698979.db2.gz OGJVAZCXMDHGAV-UHFFFAOYSA-N 0 3 290.363 1.645 20 10 CDCDHN CN1C(=O)CC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203883734 939712026 /nfs/dbraw/zinc/71/20/26/939712026.db2.gz MWBRHPMEMZCIOB-CHWSQXEVSA-N 0 3 290.363 1.541 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001204277326 939751149 /nfs/dbraw/zinc/75/11/49/939751149.db2.gz ZMPKXOREMKVUST-NWDGAFQWSA-N 0 3 255.289 1.393 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001204277326 939751150 /nfs/dbraw/zinc/75/11/50/939751150.db2.gz ZMPKXOREMKVUST-NWDGAFQWSA-N 0 3 255.289 1.393 20 10 CDCDHN C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1CO ZINC001204276730 939751431 /nfs/dbraw/zinc/75/14/31/939751431.db2.gz PROCRQDLNUJGGL-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1CO ZINC001204276730 939751432 /nfs/dbraw/zinc/75/14/32/939751432.db2.gz PROCRQDLNUJGGL-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204277925 939751634 /nfs/dbraw/zinc/75/16/34/939751634.db2.gz PEATUOYTHBVCKD-GFCCVEGCSA-N 0 3 293.367 1.333 20 10 CDCDHN Cc1c(CN2C[C@@H](F)[C@@H](N)C2)c2ccccc2n1C ZINC001204824413 939794910 /nfs/dbraw/zinc/79/49/10/939794910.db2.gz RWYFCIKRCQNVKE-KGLIPLIRSA-N 0 3 261.344 1.968 20 10 CDCDHN O=C1c2cccc(OC3C[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218050856 941037729 /nfs/dbraw/zinc/03/77/29/941037729.db2.gz WQHVCQMKHGHOEL-UHFFFAOYSA-N 0 3 295.294 1.518 20 10 CDCDHN O=C1c2ccccc2C(=O)c2c(OC3CNC3)cccc21 ZINC001218049488 941037846 /nfs/dbraw/zinc/03/78/46/941037846.db2.gz JUVLJQKIDNWUDP-UHFFFAOYSA-N 0 3 279.295 1.813 20 10 CDCDHN CN(C)C(=O)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277440596 942574811 /nfs/dbraw/zinc/57/48/11/942574811.db2.gz CNTTZVNGABGMBB-GFCCVEGCSA-N 0 3 260.337 1.302 20 10 CDCDHN C[NH+](C)CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231451720 942896958 /nfs/dbraw/zinc/89/69/58/942896958.db2.gz RUIBGOUEODVKHK-UHFFFAOYSA-N 0 3 292.379 1.864 20 10 CDCDHN COc1cc(CN2CCCOCC2)c(O)cc1O ZINC001231635383 942951455 /nfs/dbraw/zinc/95/14/55/942951455.db2.gz XPNRURJVWPGTFO-UHFFFAOYSA-N 0 3 253.298 1.329 20 10 CDCDHN Cc1cc(C)c(CN2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001231844376 943025940 /nfs/dbraw/zinc/02/59/40/943025940.db2.gz JWHMBKUNFONTEZ-CYBMUJFWSA-N 0 3 262.353 1.849 20 10 CDCDHN COC(CN(C)Cc1ccc(N(C)C)cc1O)OC ZINC001232839377 943415106 /nfs/dbraw/zinc/41/51/06/943415106.db2.gz IEAWWBFIGQTLMO-UHFFFAOYSA-N 0 3 268.357 1.509 20 10 CDCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(O)c(O)cc1O ZINC001233483717 943592855 /nfs/dbraw/zinc/59/28/55/943592855.db2.gz IXKXGEJXLXKFHQ-VHSXEESVSA-N 0 3 266.341 1.328 20 10 CDCDHN CC(C)N1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950045 943699702 /nfs/dbraw/zinc/69/97/02/943699702.db2.gz RNMIEVMRDGPMPS-SNVBAGLBSA-N 0 3 289.335 1.903 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236786195 944568656 /nfs/dbraw/zinc/56/86/56/944568656.db2.gz MWWRLSVLIQWFFA-MRXNPFEDSA-N 0 3 274.364 1.667 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236786195 944568665 /nfs/dbraw/zinc/56/86/65/944568665.db2.gz MWWRLSVLIQWFFA-MRXNPFEDSA-N 0 3 274.364 1.667 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001236821001 944581515 /nfs/dbraw/zinc/58/15/15/944581515.db2.gz PZTGNXUYIKIGAG-UHFFFAOYSA-N 0 3 276.380 1.847 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001236821001 944581521 /nfs/dbraw/zinc/58/15/21/944581521.db2.gz PZTGNXUYIKIGAG-UHFFFAOYSA-N 0 3 276.380 1.847 20 10 CDCDHN Cc1cccc(O)c1CN1CCc2nn(C)cc2C1 ZINC001237487696 944814628 /nfs/dbraw/zinc/81/46/28/944814628.db2.gz LLBZAWUNCQICIB-UHFFFAOYSA-N 0 3 257.337 1.992 20 10 CDCDHN Cc1cc(F)cc(CN2CCc3nncn3CC2)c1O ZINC001238065213 945048724 /nfs/dbraw/zinc/04/87/24/945048724.db2.gz SFCCTGKLGOKXQA-UHFFFAOYSA-N 0 3 276.315 1.490 20 10 CDCDHN Cn1c(=O)cccc1CN1CCc2cccc(O)c2C1 ZINC001248808966 949175865 /nfs/dbraw/zinc/17/58/65/949175865.db2.gz BVMSHHQHCIPZNN-UHFFFAOYSA-N 0 3 270.332 1.649 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccccc1[O-] ZINC001330706245 956578356 /nfs/dbraw/zinc/57/83/56/956578356.db2.gz QGSBLXPMDFXSMK-NXEZZACHSA-N 0 3 250.298 1.493 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001324378587 961340819 /nfs/dbraw/zinc/34/08/19/961340819.db2.gz MBDFUEXTTJEHEF-HZPDHXFCSA-N 0 3 276.380 1.478 20 10 CDCDHN C[C@@H](C(=O)NCc1cccc(O)c1O)N1CCCCCC1 ZINC001528771820 968928200 /nfs/dbraw/zinc/92/82/00/968928200.db2.gz ZWEIYIRYIHKSKA-LBPRGKRZSA-N 0 3 292.379 1.979 20 10 CDCDHN COc1cccc(C[NH2+]C2CCC(O)CC2)c1[O-] ZINC000019918702 356516523 /nfs/dbraw/zinc/51/65/23/356516523.db2.gz VREGKZSDCSSFJG-UHFFFAOYSA-N 0 3 251.326 1.794 20 10 CDCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)C)c1 ZINC000036794390 356884742 /nfs/dbraw/zinc/88/47/42/356884742.db2.gz ABBNFGIPYQAQHJ-QWRGUYRKSA-N 0 3 250.342 1.828 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000036794390 356884745 /nfs/dbraw/zinc/88/47/45/356884745.db2.gz ABBNFGIPYQAQHJ-QWRGUYRKSA-N 0 3 250.342 1.828 20 10 CDCDHN Cc1cccc(CN2CCN(c3cnccn3)CC2)c1O ZINC000179714341 357221904 /nfs/dbraw/zinc/22/19/04/357221904.db2.gz SVXVGTMPRGMISM-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@](C)(O)C2)cc1OC ZINC000180634238 357279267 /nfs/dbraw/zinc/27/92/67/357279267.db2.gz OKRCYRHCTOHPMZ-CQSZACIVSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)cc1OC ZINC000180634238 357279269 /nfs/dbraw/zinc/27/92/69/357279269.db2.gz OKRCYRHCTOHPMZ-CQSZACIVSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)cc1OC ZINC000180634238 357279271 /nfs/dbraw/zinc/27/92/71/357279271.db2.gz OKRCYRHCTOHPMZ-CQSZACIVSA-N 0 3 267.325 1.366 20 10 CDCDHN C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000185725237 357570654 /nfs/dbraw/zinc/57/06/54/357570654.db2.gz GRWVFUZJAZXPKX-JQWIXIFHSA-N 0 3 278.352 1.510 20 10 CDCDHN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000185725237 357570656 /nfs/dbraw/zinc/57/06/56/357570656.db2.gz GRWVFUZJAZXPKX-JQWIXIFHSA-N 0 3 278.352 1.510 20 10 CDCDHN C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154624187 363590531 /nfs/dbraw/zinc/59/05/31/363590531.db2.gz SMOFYFXZTAFJSX-CYBMUJFWSA-N 0 3 275.396 1.853 20 10 CDCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H](F)CN1 ZINC000188729192 357931335 /nfs/dbraw/zinc/93/13/35/357931335.db2.gz GQFMULSIVGYONJ-DZGCQCFKSA-N 0 3 291.370 1.603 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000297346150 200157005 /nfs/dbraw/zinc/15/70/05/200157005.db2.gz OUQLXCZNWANRJB-UONOGXRCSA-N 0 3 278.396 1.890 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)CC2 ZINC000297470271 200202554 /nfs/dbraw/zinc/20/25/54/200202554.db2.gz YOAWKDMTSVSXOI-AGIUHOORSA-N 0 3 263.337 1.509 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000273446753 365496347 /nfs/dbraw/zinc/49/63/47/365496347.db2.gz FHFLNNQUPSIKTH-RISCZKNCSA-N 0 3 275.352 1.818 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000273460906 365498266 /nfs/dbraw/zinc/49/82/66/365498266.db2.gz CQWVZAXEUSOEDU-MEBBXXQBSA-N 0 3 291.351 1.519 20 10 CDCDHN CO[C@@H](C)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000263791897 370861882 /nfs/dbraw/zinc/86/18/82/370861882.db2.gz HTXNVTZOIFDXFM-VIFPVBQESA-N 0 3 253.298 1.636 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](CC)CCOCCO)c1 ZINC000282778310 368034945 /nfs/dbraw/zinc/03/49/45/368034945.db2.gz QBXDLMRILDWSLC-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](CC)CCOCCO)c1 ZINC000282778310 368034949 /nfs/dbraw/zinc/03/49/49/368034949.db2.gz QBXDLMRILDWSLC-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCCF ZINC000282946620 368115639 /nfs/dbraw/zinc/11/56/39/368115639.db2.gz ZAQYYVZLAZMEFX-NXEZZACHSA-N 0 3 254.305 1.517 20 10 CDCDHN CN(C)c1ccc(CN2CCC(NC(N)=O)CC2)cc1 ZINC000093050970 390899336 /nfs/dbraw/zinc/89/93/36/390899336.db2.gz OJTCXLPVUJNWPB-UHFFFAOYSA-N 0 3 276.384 1.385 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373143296 391107636 /nfs/dbraw/zinc/10/76/36/391107636.db2.gz WSJIKSSHOUMUGV-ZFWWWQNUSA-N 0 3 281.327 1.959 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000373737047 391129219 /nfs/dbraw/zinc/12/92/19/391129219.db2.gz FOQAKHQTPPZLJT-BPUTZDHNSA-N 0 3 287.407 1.838 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c([O-])c1O ZINC000179531182 391209067 /nfs/dbraw/zinc/20/90/67/391209067.db2.gz HRCQJTGAVACQKE-NWDGAFQWSA-N 0 3 290.363 1.715 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c([O-])c1O ZINC000179531182 391209070 /nfs/dbraw/zinc/20/90/70/391209070.db2.gz HRCQJTGAVACQKE-NWDGAFQWSA-N 0 3 290.363 1.715 20 10 CDCDHN COCCOC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179581578 391212538 /nfs/dbraw/zinc/21/25/38/391212538.db2.gz KYKXWYDOUNANRO-CYBMUJFWSA-N 0 3 265.353 1.877 20 10 CDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179581578 391212542 /nfs/dbraw/zinc/21/25/42/391212542.db2.gz KYKXWYDOUNANRO-CYBMUJFWSA-N 0 3 265.353 1.877 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183485262 391265326 /nfs/dbraw/zinc/26/53/26/391265326.db2.gz WQHAMXDVZWAACU-PWSUYJOCSA-N 0 3 272.352 1.958 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@H](O)C2)cc1OC ZINC000183469399 391265723 /nfs/dbraw/zinc/26/57/23/391265723.db2.gz PTGGTPSRYRHFEK-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1[O-] ZINC000364514586 262253470 /nfs/dbraw/zinc/25/34/70/262253470.db2.gz YDXKWVHEUBJEMT-ZDUSSCGKSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@H](n3cncn3)C2)c1[O-] ZINC000364514586 262253472 /nfs/dbraw/zinc/25/34/72/262253472.db2.gz YDXKWVHEUBJEMT-ZDUSSCGKSA-N 0 3 258.325 1.739 20 10 CDCDHN COc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000369828613 267271352 /nfs/dbraw/zinc/27/13/52/267271352.db2.gz BJLOHLULQUXQKI-GFCCVEGCSA-N 0 3 273.336 1.771 20 10 CDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289188863 274387593 /nfs/dbraw/zinc/38/75/93/274387593.db2.gz ASOJEGYAZSTOGB-UKRRQHHQSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289188863 274387595 /nfs/dbraw/zinc/38/75/95/274387595.db2.gz ASOJEGYAZSTOGB-UKRRQHHQSA-N 0 3 276.380 1.687 20 10 CDCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296243935 276304478 /nfs/dbraw/zinc/30/44/78/276304478.db2.gz AXIHOWWINNCHOU-CMPLNLGQSA-N 0 3 262.353 1.836 20 10 CDCDHN CCOc1cccc(C[N@H+](C)[C@H](CC)CO)c1[O-] ZINC000295148174 276379468 /nfs/dbraw/zinc/37/94/68/276379468.db2.gz QTHOVJUIJZNAKD-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)[C@H](CC)CO)c1[O-] ZINC000295148174 276379470 /nfs/dbraw/zinc/37/94/70/276379470.db2.gz QTHOVJUIJZNAKD-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000185802678 327845478 /nfs/dbraw/zinc/84/54/78/327845478.db2.gz UKXKOQKHHKBLMQ-MNOVXSKESA-N 0 3 278.352 1.700 20 10 CDCDHN CS[C@H](CO)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000219065647 329144647 /nfs/dbraw/zinc/14/46/47/329144647.db2.gz AKXQTUPCAUHDLY-IINYFYTJSA-N 0 3 267.394 1.824 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000273739669 334769624 /nfs/dbraw/zinc/76/96/24/334769624.db2.gz LQRMWEOMFYVHIM-SNVBAGLBSA-N 0 3 284.743 1.375 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000694587997 1159486727 /nfs/dbraw/zinc/48/67/27/1159486727.db2.gz FUFXVPZFIDHDMQ-OAHLLOKOSA-N 0 3 296.436 1.810 20 10 CDCDHN CC(C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049398305 519610441 /nfs/dbraw/zinc/61/04/41/519610441.db2.gz XAIDIKCDDIMJHA-UHFFFAOYSA-N 0 3 263.385 1.709 20 10 CDCDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000289972059 519628044 /nfs/dbraw/zinc/62/80/44/519628044.db2.gz YYTUAZQITGHMGV-LLVKDONJSA-N 0 3 280.368 1.939 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](C)C(=O)NC)c1 ZINC000093899573 521139911 /nfs/dbraw/zinc/13/99/11/521139911.db2.gz KKMRJIFNSWQIMJ-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)C(=O)NC)c1 ZINC000093899573 521139924 /nfs/dbraw/zinc/13/99/24/521139924.db2.gz KKMRJIFNSWQIMJ-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1F ZINC000280122711 522185845 /nfs/dbraw/zinc/18/58/45/522185845.db2.gz BTSXLPMHMPSCHF-HNNXBMFYSA-N 0 3 279.359 1.589 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000040825786 522201882 /nfs/dbraw/zinc/20/18/82/522201882.db2.gz XQQLAEAIAXZKBE-CQSZACIVSA-N 0 3 261.369 1.511 20 10 CDCDHN COC[C@@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000234876513 522304575 /nfs/dbraw/zinc/30/45/75/522304575.db2.gz WGZWVZVAKOLAQQ-OAHLLOKOSA-N 0 3 278.396 1.774 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@H]1CCCO1 ZINC000279386540 522363819 /nfs/dbraw/zinc/36/38/19/522363819.db2.gz JVKSHXKHLAFBAH-ZIAGYGMSSA-N 0 3 265.353 1.984 20 10 CDCDHN C[N@H+](CCCCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000279481951 522732490 /nfs/dbraw/zinc/73/24/90/522732490.db2.gz UBFUKNPGIVSAKU-UHFFFAOYSA-N 0 3 267.325 1.715 20 10 CDCDHN C[N@@H+](CCCCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000279481951 522732501 /nfs/dbraw/zinc/73/25/01/522732501.db2.gz UBFUKNPGIVSAKU-UHFFFAOYSA-N 0 3 267.325 1.715 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000266170753 523874652 /nfs/dbraw/zinc/87/46/52/523874652.db2.gz CGSNYYPELISJCY-HNNXBMFYSA-N 0 3 278.396 1.819 20 10 CDCDHN C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268875615 524566020 /nfs/dbraw/zinc/56/60/20/524566020.db2.gz WNRURIFTJHBXAQ-VXGBXAGGSA-N 0 3 282.359 1.694 20 10 CDCDHN Cc1cc(CN(C)CCN2CCOCC2)ccc1N(C)C ZINC000293221234 524663460 /nfs/dbraw/zinc/66/34/60/524663460.db2.gz VOGYODPSRMWCHX-UHFFFAOYSA-N 0 3 291.439 1.825 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2(O)CCCC2)c1 ZINC000087015688 524749426 /nfs/dbraw/zinc/74/94/26/524749426.db2.gz ZYICEEAMQAWDEX-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000279833237 524754002 /nfs/dbraw/zinc/75/40/02/524754002.db2.gz QLTXQNKDKXHMKW-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C ZINC000237565012 525243751 /nfs/dbraw/zinc/24/37/51/525243751.db2.gz LKHKLZSRCSCJRB-DOMZBBRYSA-N 0 3 275.396 1.752 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCCn2cc(CO)nn2)cc1C ZINC000289436917 525322053 /nfs/dbraw/zinc/32/20/53/525322053.db2.gz AHMVVNXOJKVYBL-UHFFFAOYSA-N 0 3 290.367 1.273 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)c([O-])c1 ZINC000725849636 574444668 /nfs/dbraw/zinc/44/46/68/574444668.db2.gz SOFCJBLHAKAAGD-NSHDSACASA-N 0 3 273.336 1.912 20 10 CDCDHN CCCN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000730285567 574909989 /nfs/dbraw/zinc/90/99/89/574909989.db2.gz XTENLWWQYDAFPV-LLVKDONJSA-N 0 3 280.368 1.920 20 10 CDCDHN COc1cccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1O ZINC000769507246 575353589 /nfs/dbraw/zinc/35/35/89/575353589.db2.gz BEGUJVRWRDVEOZ-RYUDHWBXSA-N 0 3 292.379 1.890 20 10 CDCDHN CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000771765628 575609265 /nfs/dbraw/zinc/60/92/65/575609265.db2.gz CMKLXXSKKLWXIT-MEBBXXQBSA-N 0 3 297.351 1.366 20 10 CDCDHN CCOC(=O)[C@](C)(O)CN[C@H](C)c1cc(OC)ccc1O ZINC000771765628 575609267 /nfs/dbraw/zinc/60/92/67/575609267.db2.gz CMKLXXSKKLWXIT-MEBBXXQBSA-N 0 3 297.351 1.366 20 10 CDCDHN CN1CCN(c2ccc(CNCc3ccon3)cc2)CC1 ZINC000771845220 575626245 /nfs/dbraw/zinc/62/62/45/575626245.db2.gz ZXEVLUMGVHCMPP-UHFFFAOYSA-N 0 3 286.379 1.716 20 10 CDCDHN COC(=O)C[C@]1(NCc2ccc(N(C)C)cc2)CCOC1 ZINC000766465597 576104638 /nfs/dbraw/zinc/10/46/38/576104638.db2.gz ALGXEFAFLKWYFW-MRXNPFEDSA-N 0 3 292.379 1.564 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768448884 576284892 /nfs/dbraw/zinc/28/48/92/576284892.db2.gz YBCNJPLIOFDOBU-YGRLFVJLSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768448884 576284893 /nfs/dbraw/zinc/28/48/93/576284893.db2.gz YBCNJPLIOFDOBU-YGRLFVJLSA-N 0 3 279.336 1.429 20 10 CDCDHN CCN(CC)c1ccc(CN(C)CC2(CO)COC2)cc1 ZINC000756785108 577004257 /nfs/dbraw/zinc/00/42/57/577004257.db2.gz ZEXJXZZRTYXEPS-UHFFFAOYSA-N 0 3 292.423 1.974 20 10 CDCDHN CCOc1cccc(CN2CC(COC)C2)c1O ZINC000895971088 619929337 /nfs/dbraw/zinc/92/93/37/619929337.db2.gz KQTYNCPXQMINIC-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902413078 624817887 /nfs/dbraw/zinc/81/78/87/624817887.db2.gz HYVTZFLOTZFAFQ-VIFPVBQESA-N 0 3 264.325 1.321 20 10 CDCDHN Cc1cc(O)c(CN2CCO[C@@H]3COCC[C@@H]32)cc1C ZINC000902626240 625052348 /nfs/dbraw/zinc/05/23/48/625052348.db2.gz SHRMTNBIIRZNNW-GOEBONIOSA-N 0 3 277.364 1.999 20 10 CDCDHN CN1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272386875 1161083703 /nfs/dbraw/zinc/08/37/03/1161083703.db2.gz PELMNUGXLCZGIB-HNNXBMFYSA-N 0 3 276.336 1.295 20 10 CDCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC(=O)N1 ZINC000834907710 790831064 /nfs/dbraw/zinc/83/10/64/790831064.db2.gz AJOLTMVIWJCHJA-NHYWBVRUSA-N 0 3 260.337 1.638 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](O)COCC2CC2)c([O-])c1 ZINC000877000562 791042382 /nfs/dbraw/zinc/04/23/82/791042382.db2.gz RLAPERGDXWCAIP-CQSZACIVSA-N 0 3 265.353 1.578 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000300436969 789852113 /nfs/dbraw/zinc/85/21/13/789852113.db2.gz QYIRWYJQIRVONL-LBPRGKRZSA-N 0 3 252.289 1.242 20 10 CDCDHN CCOc1ccc(C[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000808438027 789887093 /nfs/dbraw/zinc/88/70/93/789887093.db2.gz PPJUGJWLPIIWNS-UHFFFAOYSA-N 0 3 283.368 1.668 20 10 CDCDHN CCc1cccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000848914707 789906886 /nfs/dbraw/zinc/90/68/86/789906886.db2.gz MPGKPCHOYRUMCI-KBPBESRZSA-N 0 3 290.363 1.044 20 10 CDCDHN Cc1cc(NC(=O)CN[C@H](C)c2ccccc2O)no1 ZINC000879649694 791319556 /nfs/dbraw/zinc/31/95/56/791319556.db2.gz SSYWEAADMDXLRK-SNVBAGLBSA-N 0 3 275.308 1.978 20 10 CDCDHN Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])no1 ZINC000879649694 791319597 /nfs/dbraw/zinc/31/95/97/791319597.db2.gz SSYWEAADMDXLRK-SNVBAGLBSA-N 0 3 275.308 1.978 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(F)ccc1[O-] ZINC000094617263 791814074 /nfs/dbraw/zinc/81/40/74/791814074.db2.gz NPTJOIUWQJREFA-CABZTGNLSA-N 0 3 266.316 1.851 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000391527330 792016640 /nfs/dbraw/zinc/01/66/40/792016640.db2.gz FMYMCCZVBXXSIV-NWDGAFQWSA-N 0 3 260.337 1.590 20 10 CDCDHN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccccc1[O-] ZINC000036794093 792099219 /nfs/dbraw/zinc/09/92/19/792099219.db2.gz MDGRUVQHHVTTLA-PWSUYJOCSA-N 0 3 250.342 1.910 20 10 CDCDHN COC(=O)NC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000827934684 792551861 /nfs/dbraw/zinc/55/18/61/792551861.db2.gz NXGLLSHMXSSVOY-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN COC(=O)NC1CCN(Cc2c(O)cccc2OC)CC1 ZINC000827934684 792551882 /nfs/dbraw/zinc/55/18/82/792551882.db2.gz NXGLLSHMXSSVOY-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)[C@@H](C)O ZINC000929753347 792553723 /nfs/dbraw/zinc/55/37/23/792553723.db2.gz NXBPINKQXZBPBB-BXUZGUMPSA-N 0 3 253.342 1.346 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)[C@@H](C)O ZINC000929753347 792553756 /nfs/dbraw/zinc/55/37/56/792553756.db2.gz NXBPINKQXZBPBB-BXUZGUMPSA-N 0 3 253.342 1.346 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@]3(CC[NH2+]C3)C2)c1[O-] ZINC000843369345 792581677 /nfs/dbraw/zinc/58/16/77/792581677.db2.gz ZCRBNGXHBXGZGJ-INIZCTEOSA-N 0 3 292.354 1.919 20 10 CDCDHN CCOc1ccc(CN(C)CCNC(C)=O)c(O)c1 ZINC000843428477 792812053 /nfs/dbraw/zinc/81/20/53/792812053.db2.gz ZDTRIQLZLXCRMT-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCNC(C)=O)c([O-])c1 ZINC000843428477 792812054 /nfs/dbraw/zinc/81/20/54/792812054.db2.gz ZDTRIQLZLXCRMT-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCNC(C)=O)c([O-])c1 ZINC000843428477 792812055 /nfs/dbraw/zinc/81/20/55/792812055.db2.gz ZDTRIQLZLXCRMT-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1[O-] ZINC000710878897 792829480 /nfs/dbraw/zinc/82/94/80/792829480.db2.gz OFBVVFMKTFNWAU-YRGRVCCFSA-N 0 3 251.326 1.583 20 10 CDCDHN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1ccccc1[O-] ZINC000037751597 793060285 /nfs/dbraw/zinc/06/02/85/793060285.db2.gz UFGHFNZHRQQEEV-GFCCVEGCSA-N 0 3 250.342 1.911 20 10 CDCDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266764 793093386 /nfs/dbraw/zinc/09/33/86/793093386.db2.gz BJCUXMSMLAKBHU-TZMCWYRMSA-N 0 3 294.370 1.617 20 10 CDCDHN CCOC(=O)CC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000827758184 793119970 /nfs/dbraw/zinc/11/99/70/793119970.db2.gz YUSISRFBXAMTSE-UHFFFAOYSA-N 0 3 293.363 1.984 20 10 CDCDHN CCCN(CCN(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779516188 793292639 /nfs/dbraw/zinc/29/26/39/793292639.db2.gz VLCBZGSKKXZCBW-SOFGYWHQSA-N 0 3 292.379 1.911 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778188115 793810128 /nfs/dbraw/zinc/81/01/28/793810128.db2.gz RDYPRRKRXCAGJH-LLVKDONJSA-N 0 3 273.336 1.702 20 10 CDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F ZINC000865712218 793873971 /nfs/dbraw/zinc/87/39/71/793873971.db2.gz YBMXLDKPVOVWLL-KGFZYKRKSA-N 0 3 293.241 1.522 20 10 CDCDHN Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000877095747 794556440 /nfs/dbraw/zinc/55/64/40/794556440.db2.gz SWHRHERBTIBDFL-UHFFFAOYSA-N 0 3 276.296 1.595 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]([NH3+])C[C@H]2C)c1[O-] ZINC000866684437 794776934 /nfs/dbraw/zinc/77/69/34/794776934.db2.gz YVFBBWXHCXSFBF-PELKAZGASA-N 0 3 266.316 1.655 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000724889855 794855149 /nfs/dbraw/zinc/85/51/49/794855149.db2.gz QLWFVHJOAGIQEI-MRCXROJRSA-N 0 3 269.316 1.986 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000083449288 795054565 /nfs/dbraw/zinc/05/45/65/795054565.db2.gz BBXXQAVMXGYLQR-UHFFFAOYSA-N 0 3 261.369 1.640 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000877044376 795295137 /nfs/dbraw/zinc/29/51/37/795295137.db2.gz ZZMGXVQSYNUGPE-HNNXBMFYSA-N 0 3 265.353 1.578 20 10 CDCDHN CCn1cccc(CNCc2c(O)cccc2OC)c1=O ZINC000788523391 796017071 /nfs/dbraw/zinc/01/70/71/796017071.db2.gz BUBXOPYWWCZIFL-UHFFFAOYSA-N 0 3 288.347 1.872 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816666301 796201112 /nfs/dbraw/zinc/20/11/12/796201112.db2.gz JOUHYNFRHLETKZ-JKSUJKDBSA-N 0 3 295.354 1.941 20 10 CDCDHN CN(C)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000082807225 796354900 /nfs/dbraw/zinc/35/49/00/796354900.db2.gz DFMCNJZRISHEET-UHFFFAOYSA-N 0 3 299.378 1.051 20 10 CDCDHN CN(CCC[NH2+][C@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000692466503 898090519 /nfs/dbraw/zinc/09/05/19/898090519.db2.gz LJDNWRRQMYAZMP-LBPRGKRZSA-N 0 3 298.408 1.251 20 10 CDCDHN O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])CCN12 ZINC001172171472 911424866 /nfs/dbraw/zinc/42/48/66/911424866.db2.gz PECGBWQLCOXUQS-NWDGAFQWSA-N 0 3 276.336 1.341 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@H](CO)[C@H](O)C3)ccc21 ZINC001138354821 936525030 /nfs/dbraw/zinc/52/50/30/936525030.db2.gz WDMJZEMKKQOSBP-NVXWUHKLSA-N 0 3 290.407 1.244 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000832011751 936552400 /nfs/dbraw/zinc/55/24/00/936552400.db2.gz BDBVIJXUEFOVRH-HUUCEWRRSA-N 0 3 264.369 1.334 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141026320 936793978 /nfs/dbraw/zinc/79/39/78/936793978.db2.gz LOFZORUTUUMHEN-ZANVPECISA-N 0 3 267.325 1.222 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141026320 936793980 /nfs/dbraw/zinc/79/39/80/936793980.db2.gz LOFZORUTUUMHEN-ZANVPECISA-N 0 3 267.325 1.222 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816666334 930334159 /nfs/dbraw/zinc/33/41/59/930334159.db2.gz KVAAWDQSDPZQEW-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816666334 930334173 /nfs/dbraw/zinc/33/41/73/930334173.db2.gz KVAAWDQSDPZQEW-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001116852132 937475892 /nfs/dbraw/zinc/47/58/92/937475892.db2.gz UBZRSNLIMRCQMA-RYUDHWBXSA-N 0 3 278.352 1.700 20 10 CDCDHN COc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001203617376 939696722 /nfs/dbraw/zinc/69/67/22/939696722.db2.gz PDGZEUWDLIOKGM-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001203617376 939696723 /nfs/dbraw/zinc/69/67/23/939696723.db2.gz PDGZEUWDLIOKGM-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COC(=O)CO[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203936870 939715132 /nfs/dbraw/zinc/71/51/32/939715132.db2.gz QCUVBXWSDWXVQE-HNNXBMFYSA-N 0 3 292.379 1.517 20 10 CDCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278321 939751271 /nfs/dbraw/zinc/75/12/71/939751271.db2.gz DLKXTXAHWRGRBU-JQWIXIFHSA-N 0 3 279.336 1.729 20 10 CDCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278321 939751272 /nfs/dbraw/zinc/75/12/72/939751272.db2.gz DLKXTXAHWRGRBU-JQWIXIFHSA-N 0 3 279.336 1.729 20 10 CDCDHN COc1cc(CN2CC[C@H]3COC[C@@H]3C2)cc(O)c1O ZINC001204346690 939759341 /nfs/dbraw/zinc/75/93/41/939759341.db2.gz VXZDKAIFRKKNPT-RYUDHWBXSA-N 0 3 279.336 1.575 20 10 CDCDHN COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc(O)c1O ZINC001276500595 940122976 /nfs/dbraw/zinc/12/29/76/940122976.db2.gz RMMQOEGOYSVQAW-QWRGUYRKSA-N 0 3 292.335 1.025 20 10 CDCDHN CC(C)(C[N@@H+]1CCc2cccc([O-])c2C1)N1CCOCC1 ZINC001207305170 940178506 /nfs/dbraw/zinc/17/85/06/940178506.db2.gz VBWBNVCVWHDXFK-UHFFFAOYSA-N 0 3 290.407 1.861 20 10 CDCDHN CC(C)(C[N@H+]1CCc2cccc([O-])c2C1)N1CCOCC1 ZINC001207305170 940178508 /nfs/dbraw/zinc/17/85/08/940178508.db2.gz VBWBNVCVWHDXFK-UHFFFAOYSA-N 0 3 290.407 1.861 20 10 CDCDHN Cc1cc(C)c(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001231844377 943027148 /nfs/dbraw/zinc/02/71/48/943027148.db2.gz JWHMBKUNFONTEZ-ZDUSSCGKSA-N 0 3 262.353 1.849 20 10 CDCDHN CN(C)c1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001232834084 943412703 /nfs/dbraw/zinc/41/27/03/943412703.db2.gz GGKNDYLWHCSSFF-UHFFFAOYSA-N 0 3 262.353 1.415 20 10 CDCDHN Oc1cc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(O)c1O ZINC001233017196 943464439 /nfs/dbraw/zinc/46/44/39/943464439.db2.gz URKSDTCBTZCPGA-DHPDLVEQSA-N 0 3 277.320 1.413 20 10 CDCDHN CO[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482682 943590697 /nfs/dbraw/zinc/59/06/97/943590697.db2.gz YBOCMCMJOHLUGX-SNVBAGLBSA-N 0 3 253.298 1.414 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)[C@H]1C ZINC001233485900 943594078 /nfs/dbraw/zinc/59/40/78/943594078.db2.gz PQPQJVRSEWUACY-GXSJLCMTSA-N 0 3 295.335 1.577 20 10 CDCDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001235988239 944352546 /nfs/dbraw/zinc/35/25/46/944352546.db2.gz FYDWAHBFBOMAGJ-NOZJJQNGSA-N 0 3 268.744 1.674 20 10 CDCDHN CCc1ccc(CN2CC(CC(=O)OC)C2)c(O)c1 ZINC001236795765 944571420 /nfs/dbraw/zinc/57/14/20/944571420.db2.gz ZQPOHXCDTKPUGT-UHFFFAOYSA-N 0 3 263.337 1.950 20 10 CDCDHN COc1cc(C)c(CN(C)CC(OC)OC)c(O)c1 ZINC001236811325 944575901 /nfs/dbraw/zinc/57/59/01/944575901.db2.gz PFEXOCSQBTYPPL-UHFFFAOYSA-N 0 3 269.341 1.760 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236840891 944589453 /nfs/dbraw/zinc/58/94/53/944589453.db2.gz SCEUFZMBWUYSDQ-AWEZNQCLSA-N 0 3 270.332 1.995 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236840891 944589455 /nfs/dbraw/zinc/58/94/55/944589455.db2.gz SCEUFZMBWUYSDQ-AWEZNQCLSA-N 0 3 270.332 1.995 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCC2OCCO2)c([O-])c1 ZINC001237043265 944644539 /nfs/dbraw/zinc/64/45/39/944644539.db2.gz NORUCWBKHAWXJF-UHFFFAOYSA-N 0 3 281.352 1.986 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCC2OCCO2)c([O-])c1 ZINC001237043265 944644541 /nfs/dbraw/zinc/64/45/41/944644541.db2.gz NORUCWBKHAWXJF-UHFFFAOYSA-N 0 3 281.352 1.986 20 10 CDCDHN O=C1C[C@H]2CC([NH2+]Cc3cccc(O)c3[O-])C[C@@H]2C1 ZINC001254929885 947658837 /nfs/dbraw/zinc/65/88/37/947658837.db2.gz ZYNHDODUAYGXDH-GHMZBOCLSA-N 0 3 261.321 1.945 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC(C)(C)C ZINC001253692455 952040518 /nfs/dbraw/zinc/04/05/18/952040518.db2.gz XXXUDBJMEDMPHA-AWEZNQCLSA-N 0 3 295.379 1.917 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC(C)(C)C ZINC001253692455 952040524 /nfs/dbraw/zinc/04/05/24/952040524.db2.gz XXXUDBJMEDMPHA-AWEZNQCLSA-N 0 3 295.379 1.917 20 10 CDCDHN COc1cccc(CNCc2cnc3n2CCOC3)c1O ZINC001333814666 958621683 /nfs/dbraw/zinc/62/16/83/958621683.db2.gz QWYHWXZEMAIMPF-UHFFFAOYSA-N 0 3 289.335 1.417 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(C)c1[O-] ZINC000294955239 199268791 /nfs/dbraw/zinc/26/87/91/199268791.db2.gz DJVKPECTELSXPI-GFCCVEGCSA-N 0 3 286.397 1.118 20 10 CDCDHN COCCO[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000188811082 357940048 /nfs/dbraw/zinc/94/00/48/357940048.db2.gz MZYNYLIMWKMKTC-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000188811082 357940050 /nfs/dbraw/zinc/94/00/50/357940050.db2.gz MZYNYLIMWKMKTC-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000188811082 357940052 /nfs/dbraw/zinc/94/00/52/357940052.db2.gz MZYNYLIMWKMKTC-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCNC(=O)C(C)C)c1 ZINC000092104332 358538433 /nfs/dbraw/zinc/53/84/33/358538433.db2.gz FZFCNBWMOMIPRD-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN CCOc1cccc(CNCC(=O)N(C)CC)c1O ZINC000185185844 358777119 /nfs/dbraw/zinc/77/71/19/358777119.db2.gz MTVQHILTSBXLNW-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273367505 365489525 /nfs/dbraw/zinc/48/95/25/365489525.db2.gz BRVJGBOZMIMSSV-RISCZKNCSA-N 0 3 279.380 1.929 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282187910 367763731 /nfs/dbraw/zinc/76/37/31/367763731.db2.gz BSTZMOAITPELCO-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN CCCN(Cc1cccc(C)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000283081972 368177228 /nfs/dbraw/zinc/17/72/28/368177228.db2.gz RHZUZNGFJIABRE-ZDUSSCGKSA-N 0 3 290.363 1.670 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C)cc1[O-] ZINC000530222524 368151387 /nfs/dbraw/zinc/15/13/87/368151387.db2.gz FZOPDYZHXIIFOK-OCCSQVGLSA-N 0 3 264.369 1.730 20 10 CDCDHN NCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237985238 376008529 /nfs/dbraw/zinc/00/85/29/376008529.db2.gz RYNIVZSOMFBROM-JTQLQIEISA-N 0 3 299.321 1.332 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C2(CO)CCC2)cc1OC ZINC000180935324 261878705 /nfs/dbraw/zinc/87/87/05/261878705.db2.gz ANRYVLIYNMVOIM-UHFFFAOYSA-N 0 3 267.325 1.414 20 10 CDCDHN Cc1c(/C=C/C(=O)N2C[C@@H](N)Cc3ccccc32)cnn1C ZINC000493050831 253357040 /nfs/dbraw/zinc/35/70/40/253357040.db2.gz OYUCUAAARLWOOG-KIUWMYQTSA-N 0 3 296.374 1.658 20 10 CDCDHN CCOc1cccc(CN2CCCN(C(C)=O)CC2)c1O ZINC000133283859 390902885 /nfs/dbraw/zinc/90/28/85/390902885.db2.gz SXVKOFXPJQBBBI-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN C[C@@H](O)CC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093481802 390903172 /nfs/dbraw/zinc/90/31/72/390903172.db2.gz LPFPTRNDKMGVTP-SECBINFHSA-N 0 3 253.298 1.324 20 10 CDCDHN C[C@@H](O)CC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093481802 390903174 /nfs/dbraw/zinc/90/31/74/390903174.db2.gz LPFPTRNDKMGVTP-SECBINFHSA-N 0 3 253.298 1.324 20 10 CDCDHN Cc1cc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C ZINC000373770277 391131037 /nfs/dbraw/zinc/13/10/37/391131037.db2.gz XNLYGUKTNZMAGG-ZFWWWQNUSA-N 0 3 290.363 1.098 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000179557182 391210510 /nfs/dbraw/zinc/21/05/10/391210510.db2.gz XIGGFPSMDBTARX-UHFFFAOYSA-N 0 3 290.407 1.936 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCCF ZINC000296246966 391692266 /nfs/dbraw/zinc/69/22/66/391692266.db2.gz BAPSIAWLFKZQKX-GXSJLCMTSA-N 0 3 266.316 1.443 20 10 CDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000020202461 171066667 /nfs/dbraw/zinc/06/66/67/171066667.db2.gz HFMGKHXAFPZITD-UHFFFAOYSA-N 0 3 298.408 1.296 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186203187 262084374 /nfs/dbraw/zinc/08/43/74/262084374.db2.gz NHWORQDBNWOKHD-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN Cc1cc(CNCc2cc3c(cc2O)OCO3)n(C)n1 ZINC000283840813 263084654 /nfs/dbraw/zinc/08/46/54/263084654.db2.gz HHPVDGNOHYCRQQ-UHFFFAOYSA-N 0 3 275.308 1.453 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CC2(O)CCOCC2)c1 ZINC000188833561 276374986 /nfs/dbraw/zinc/37/49/86/276374986.db2.gz NDALKUOVCLNVIU-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000188833561 276374987 /nfs/dbraw/zinc/37/49/87/276374987.db2.gz NDALKUOVCLNVIU-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296584770 280145683 /nfs/dbraw/zinc/14/56/83/280145683.db2.gz UPXCAMUMQGCSLQ-RYUDHWBXSA-N 0 3 298.408 1.297 20 10 CDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219057042 329144599 /nfs/dbraw/zinc/14/45/99/329144599.db2.gz ONVOSZUYPBTACD-GWCFXTLKSA-N 0 3 255.383 1.903 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219065786 333141018 /nfs/dbraw/zinc/14/10/18/333141018.db2.gz QBGWZUNKOCMBLQ-OQPBUACISA-N 0 3 285.365 1.323 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000229051954 522539312 /nfs/dbraw/zinc/53/93/12/522539312.db2.gz JEWAGOYVLHMIHN-LLVKDONJSA-N 0 3 271.744 1.915 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000265289647 521150409 /nfs/dbraw/zinc/15/04/09/521150409.db2.gz ZAWRDGVGWQGWHQ-CQSZACIVSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000278750615 521152832 /nfs/dbraw/zinc/15/28/32/521152832.db2.gz WGEZSXWWKBRLRT-ABAIWWIYSA-N 0 3 281.352 1.420 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H]1CCCO1 ZINC000279377749 522747913 /nfs/dbraw/zinc/74/79/13/522747913.db2.gz IOVXOPOKPMTJDT-DZGCQCFKSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@H](NCc1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000279377749 522747918 /nfs/dbraw/zinc/74/79/18/522747918.db2.gz IOVXOPOKPMTJDT-DZGCQCFKSA-N 0 3 281.352 1.684 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000291020471 523286086 /nfs/dbraw/zinc/28/60/86/523286086.db2.gz AHBISNJBJBMFGE-UHFFFAOYSA-N 0 3 292.379 1.932 20 10 CDCDHN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292969183 524175160 /nfs/dbraw/zinc/17/51/60/524175160.db2.gz KCIOQQXZFUUKGF-ZUZCIYMTSA-N 0 3 279.336 1.762 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278909088 524770953 /nfs/dbraw/zinc/77/09/53/524770953.db2.gz VQDLSILAAOKLPF-ZIBATOQPSA-N 0 3 281.352 1.591 20 10 CDCDHN CCOc1ccc(C[NH2+]CC(=O)N(CC)CC)c([O-])c1 ZINC000725848380 574444229 /nfs/dbraw/zinc/44/42/29/574444229.db2.gz PHSDKAXHZNITJT-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCc1nnc2ccccn21 ZINC000731448314 575049487 /nfs/dbraw/zinc/04/94/87/575049487.db2.gz BWCGRVPZLQYZLV-UHFFFAOYSA-N 0 3 298.346 1.776 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000769532230 575357045 /nfs/dbraw/zinc/35/70/45/575357045.db2.gz IDSLJRCXGFFSOM-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000769532230 575357048 /nfs/dbraw/zinc/35/70/48/575357048.db2.gz IDSLJRCXGFFSOM-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766223670 576087074 /nfs/dbraw/zinc/08/70/74/576087074.db2.gz ILTLRXXCDQDTHJ-UHFFFAOYSA-N 0 3 292.379 1.355 20 10 CDCDHN COC(=O)C[C@@]1(NCc2ccc(N(C)C)cc2)CCOC1 ZINC000766465594 576104676 /nfs/dbraw/zinc/10/46/76/576104676.db2.gz ALGXEFAFLKWYFW-INIZCTEOSA-N 0 3 292.379 1.564 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768446511 576284006 /nfs/dbraw/zinc/28/40/06/576284006.db2.gz KSYCRCDHKQUUSK-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768446511 576284009 /nfs/dbraw/zinc/28/40/09/576284009.db2.gz KSYCRCDHKQUUSK-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000769384697 576350835 /nfs/dbraw/zinc/35/08/35/576350835.db2.gz TYUCDICGSOEBNH-GFCCVEGCSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000769384697 576350838 /nfs/dbraw/zinc/35/08/38/576350838.db2.gz TYUCDICGSOEBNH-GFCCVEGCSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC(C)(C)O)c([O-])c1 ZINC000769425067 576353494 /nfs/dbraw/zinc/35/34/94/576353494.db2.gz KTHBTOYRGMUGIH-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC(C)(C)O)c([O-])c1 ZINC000769425067 576353496 /nfs/dbraw/zinc/35/34/96/576353496.db2.gz KTHBTOYRGMUGIH-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C1CC(O)C1 ZINC000761222760 576561026 /nfs/dbraw/zinc/56/10/26/576561026.db2.gz MQAJRAZUOQTHNZ-UHFFFAOYSA-N 0 3 276.380 1.478 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1ccc(N(C)C)c(F)c1 ZINC000749128316 576936651 /nfs/dbraw/zinc/93/66/51/576936651.db2.gz LZDMRLCMNZLOJQ-VIFPVBQESA-N 0 3 253.321 1.245 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756505667 576992663 /nfs/dbraw/zinc/99/26/63/576992663.db2.gz VDKZSKKQMFTGRT-WPRPVWTQSA-N 0 3 287.356 1.714 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000750816966 577007863 /nfs/dbraw/zinc/00/78/63/577007863.db2.gz FVKSLYGDLMPPFW-TXEJJXNPSA-N 0 3 278.327 1.385 20 10 CDCDHN Cc1cccc(CNC2COC(C)(C)OC2)c1O ZINC000758011805 577067170 /nfs/dbraw/zinc/06/71/70/577067170.db2.gz FHYCXEVBUVGKAP-UHFFFAOYSA-N 0 3 251.326 1.942 20 10 CDCDHN Cc1cccc(C[NH2+]C2COC(C)(C)OC2)c1[O-] ZINC000758011805 577067171 /nfs/dbraw/zinc/06/71/71/577067171.db2.gz FHYCXEVBUVGKAP-UHFFFAOYSA-N 0 3 251.326 1.942 20 10 CDCDHN Cc1ccc([O-])c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000753586135 577178486 /nfs/dbraw/zinc/17/84/86/577178486.db2.gz BPMVWZNIQMSCAI-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000818233884 618503152 /nfs/dbraw/zinc/50/31/52/618503152.db2.gz QEOFEZULEXRYIX-GFCCVEGCSA-N 0 3 292.335 1.028 20 10 CDCDHN COC[C@]1(CNCc2cccc(F)c2[O-])CCC[NH2+]1 ZINC000841067959 618680639 /nfs/dbraw/zinc/68/06/39/618680639.db2.gz RJGGLETXWGQCQE-CQSZACIVSA-N 0 3 268.332 1.390 20 10 CDCDHN [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000841101520 618683298 /nfs/dbraw/zinc/68/32/98/618683298.db2.gz WTOQCBQDJHJXRW-LLVKDONJSA-N 0 3 254.305 1.081 20 10 CDCDHN COc1cc(O)c(CN[C@H]2C(=O)NCC2(C)C)cc1OC ZINC000895315631 619545092 /nfs/dbraw/zinc/54/50/92/619545092.db2.gz IBEKHPBGHZSGQJ-ZDUSSCGKSA-N 0 3 294.351 1.024 20 10 CDCDHN CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1N(C)C ZINC000841295590 619619252 /nfs/dbraw/zinc/61/92/52/619619252.db2.gz CAZMWEQMHAUAJU-STQMWFEESA-N 0 3 294.424 1.778 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([O-])c1 ZINC000895785597 619841398 /nfs/dbraw/zinc/84/13/98/619841398.db2.gz WIABGDLMUGRIAC-GLQYFDAESA-N 0 3 277.364 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([O-])c1 ZINC000895785597 619841399 /nfs/dbraw/zinc/84/13/99/619841399.db2.gz WIABGDLMUGRIAC-GLQYFDAESA-N 0 3 277.364 1.994 20 10 CDCDHN CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000151545368 630693912 /nfs/dbraw/zinc/69/39/12/630693912.db2.gz VVPBQCRJXXCFNT-GWCFXTLKSA-N 0 3 280.368 1.918 20 10 CDCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000921813506 633315667 /nfs/dbraw/zinc/31/56/67/633315667.db2.gz FPOGUTXXZLKFTR-CQSZACIVSA-N 0 3 286.375 1.865 20 10 CDCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(C)ccc1O ZINC000088658259 1158735098 /nfs/dbraw/zinc/73/50/98/1158735098.db2.gz UHGPNDPZZWLPJF-CYBMUJFWSA-N 0 3 278.352 1.038 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000877489939 1166046028 /nfs/dbraw/zinc/04/60/28/1166046028.db2.gz RCOSPYBTVVEHNL-FZMZJTMJSA-N 0 3 251.326 1.330 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000877572341 1166059560 /nfs/dbraw/zinc/05/95/60/1166059560.db2.gz PMWDLGNXMXKHRA-UHFFFAOYSA-N 0 3 264.369 1.247 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000877614060 1166067122 /nfs/dbraw/zinc/06/71/22/1166067122.db2.gz UQSWTPZBZZKFBB-GFCCVEGCSA-N 0 3 274.364 1.801 20 10 CDCDHN CNC(=O)[C@H]1CCCCN1Cc1ccc(C)cc1O ZINC000876584395 796535533 /nfs/dbraw/zinc/53/55/33/796535533.db2.gz WIELGBQPBZXAJK-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127490 797029389 /nfs/dbraw/zinc/02/93/89/797029389.db2.gz RRFQFIXYBNAJFS-GWCFXTLKSA-N 0 3 250.317 1.715 20 10 CDCDHN COC[C@]1(CO)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825158400 797371656 /nfs/dbraw/zinc/37/16/56/797371656.db2.gz KLKKUAHKPYDUFC-MRXNPFEDSA-N 0 3 296.386 1.723 20 10 CDCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794649465 797803695 /nfs/dbraw/zinc/80/36/95/797803695.db2.gz LHUMMPAFXKWLFS-HOCLYGCPSA-N 0 3 293.363 1.819 20 10 CDCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794649465 797803696 /nfs/dbraw/zinc/80/36/96/797803696.db2.gz LHUMMPAFXKWLFS-HOCLYGCPSA-N 0 3 293.363 1.819 20 10 CDCDHN C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790941315 797805637 /nfs/dbraw/zinc/80/56/37/797805637.db2.gz VVMLOXDBDLNOOG-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790941315 797805638 /nfs/dbraw/zinc/80/56/38/797805638.db2.gz VVMLOXDBDLNOOG-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846137844 797809012 /nfs/dbraw/zinc/80/90/12/797809012.db2.gz RJMDTIVJGKJNSU-ZJUUUORDSA-N 0 3 266.341 1.576 20 10 CDCDHN CCOc1ccc(CN[C@H](C)C(=O)N(C)OC)c(O)c1 ZINC000858324834 797862541 /nfs/dbraw/zinc/86/25/41/797862541.db2.gz HTLXPHFRUMJJHP-SNVBAGLBSA-N 0 3 282.340 1.289 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)c([O-])c1 ZINC000858324834 797862545 /nfs/dbraw/zinc/86/25/45/797862545.db2.gz HTLXPHFRUMJJHP-SNVBAGLBSA-N 0 3 282.340 1.289 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000383246917 895494476 /nfs/dbraw/zinc/49/44/76/895494476.db2.gz CXZQPIPEHRDWFC-AWEZNQCLSA-N 0 3 276.380 1.691 20 10 CDCDHN CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036959794 909930585 /nfs/dbraw/zinc/93/05/85/909930585.db2.gz ZOIFSYPGYMDMKN-MNOVXSKESA-N 0 3 250.342 1.958 20 10 CDCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000164675564 911372914 /nfs/dbraw/zinc/37/29/14/911372914.db2.gz YMWVKFUTNNLYOQ-VIFPVBQESA-N 0 3 256.733 1.205 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000827000001 936471684 /nfs/dbraw/zinc/47/16/84/936471684.db2.gz GBDXVGYHLIJQPI-GFCCVEGCSA-N 0 3 292.335 1.427 20 10 CDCDHN CN1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000387315051 936638552 /nfs/dbraw/zinc/63/85/52/936638552.db2.gz RGAGSWFQZMMQOW-HNNXBMFYSA-N 0 3 287.407 1.997 20 10 CDCDHN NC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140057317 936675244 /nfs/dbraw/zinc/67/52/44/936675244.db2.gz DRJROBHWCHPYRT-UHFFFAOYSA-N 0 3 267.304 1.164 20 10 CDCDHN O=C1NCC[C@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063527 936675613 /nfs/dbraw/zinc/67/56/13/936675613.db2.gz RCMGFEMMVWHPKP-HNNXBMFYSA-N 0 3 278.327 1.633 20 10 CDCDHN O=C1NCC[C@]12CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063527 936675615 /nfs/dbraw/zinc/67/56/15/936675615.db2.gz RCMGFEMMVWHPKP-HNNXBMFYSA-N 0 3 278.327 1.633 20 10 CDCDHN OC[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661648 936736608 /nfs/dbraw/zinc/73/66/08/936736608.db2.gz MWTVGRRIKYCDFZ-ZDUSSCGKSA-N 0 3 294.370 1.477 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028967 936794130 /nfs/dbraw/zinc/79/41/30/936794130.db2.gz FTIAQOYOXNPTPE-QWRGUYRKSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028967 936794132 /nfs/dbraw/zinc/79/41/32/936794132.db2.gz FTIAQOYOXNPTPE-QWRGUYRKSA-N 0 3 281.352 1.755 20 10 CDCDHN CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000837187794 936832090 /nfs/dbraw/zinc/83/20/90/936832090.db2.gz BJRSYVGNQMABAJ-NSHDSACASA-N 0 3 278.352 1.653 20 10 CDCDHN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000837187794 936832093 /nfs/dbraw/zinc/83/20/93/936832093.db2.gz BJRSYVGNQMABAJ-NSHDSACASA-N 0 3 278.352 1.653 20 10 CDCDHN N=c1cc(C[NH3+])ccn1C(=O)c1ccc([O-])c(O)c1Cl ZINC001193236504 923558069 /nfs/dbraw/zinc/55/80/69/923558069.db2.gz FUSFHFWHEKOSNH-UHFFFAOYSA-N 0 3 293.710 1.179 20 10 CDCDHN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c(O)c1O ZINC000923275037 923691385 /nfs/dbraw/zinc/69/13/85/923691385.db2.gz XWRDBMCBOLIUMU-NWDGAFQWSA-N 0 3 290.363 1.715 20 10 CDCDHN CCCN(CC(=O)NC)Cc1cccc(CC)c1O ZINC000692083756 937225545 /nfs/dbraw/zinc/22/55/45/937225545.db2.gz ADWCHYHTIAALTL-UHFFFAOYSA-N 0 3 264.369 1.913 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858546955 928882572 /nfs/dbraw/zinc/88/25/72/928882572.db2.gz BJFPSVWJTNVURJ-WZRBSPASSA-N 0 3 294.370 1.736 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697579824 937283921 /nfs/dbraw/zinc/28/39/21/937283921.db2.gz OIZLBUXYXLFFQB-PWSUYJOCSA-N 0 3 271.382 1.866 20 10 CDCDHN COCC[NH2+]CCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965563 930649398 /nfs/dbraw/zinc/64/93/98/930649398.db2.gz XHRLQIDIIMOYIM-VIFPVBQESA-N 0 3 274.311 1.557 20 10 CDCDHN C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001116852124 937476244 /nfs/dbraw/zinc/47/62/44/937476244.db2.gz UBZRSNLIMRCQMA-NEPJUHHUSA-N 0 3 278.352 1.700 20 10 CDCDHN COc1ccc(N(C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000844899868 931722011 /nfs/dbraw/zinc/72/20/11/931722011.db2.gz HHPNBRVRVVHQAS-ZDUSSCGKSA-N 0 3 291.395 1.329 20 10 CDCDHN O=C(OCCN1CCCCC1)c1cccc(O)c1O ZINC000195963305 934747113 /nfs/dbraw/zinc/74/71/13/934747113.db2.gz ZHFUJZZNGCOWBR-UHFFFAOYSA-N 0 3 265.309 1.741 20 10 CDCDHN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000796498617 935308351 /nfs/dbraw/zinc/30/83/51/935308351.db2.gz XWIVZEYYGGCKNL-QWRGUYRKSA-N 0 3 279.336 1.883 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001253704792 935854028 /nfs/dbraw/zinc/85/40/28/935854028.db2.gz VILRGGQMIQAYGU-MFKMUULPSA-N 0 3 281.352 1.745 20 10 CDCDHN CCN(CCC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000802614141 936054486 /nfs/dbraw/zinc/05/44/86/936054486.db2.gz VUGOGRMOPHRGSG-UHFFFAOYSA-N 0 3 256.371 1.868 20 10 CDCDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937158 939715283 /nfs/dbraw/zinc/71/52/83/939715283.db2.gz NVUVCNVUJFUYDZ-INIZCTEOSA-N 0 3 275.396 1.805 20 10 CDCDHN Cc1cc(C)c(CN2CCN(c3ncncn3)CC2)c(O)c1 ZINC001231850721 943028325 /nfs/dbraw/zinc/02/83/25/943028325.db2.gz ULKCPFWSNDOODI-UHFFFAOYSA-N 0 3 299.378 1.516 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC(N(C)C)C1 ZINC001231848888 943028749 /nfs/dbraw/zinc/02/87/49/943028749.db2.gz KMWZBDCYFLLIMQ-UHFFFAOYSA-N 0 3 263.385 1.507 20 10 CDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236291310 944449868 /nfs/dbraw/zinc/44/98/68/944449868.db2.gz LKFZUUMQQDHBNW-KOLCDFICSA-N 0 3 272.270 1.815 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001237050684 944647143 /nfs/dbraw/zinc/64/71/43/944647143.db2.gz UILBWMLKKGZNRZ-JKSUJKDBSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001237050684 944647148 /nfs/dbraw/zinc/64/71/48/944647148.db2.gz UILBWMLKKGZNRZ-JKSUJKDBSA-N 0 3 295.379 1.356 20 10 CDCDHN Cc1cccc(O)c1CN1Cc2ccnn2CC[C@@H]1CO ZINC001237496564 944817360 /nfs/dbraw/zinc/81/73/60/944817360.db2.gz ZDOLMJGHZIRGPU-CQSZACIVSA-N 0 3 287.363 1.664 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CO)c1[O-] ZINC001237679711 944924470 /nfs/dbraw/zinc/92/44/70/944924470.db2.gz LBAUYZPQOWPCNY-LLVKDONJSA-N 0 3 259.733 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)CO)c1[O-] ZINC001237679711 944924476 /nfs/dbraw/zinc/92/44/76/944924476.db2.gz LBAUYZPQOWPCNY-LLVKDONJSA-N 0 3 259.733 1.139 20 10 CDCDHN CNC(=O)CC[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238063528 945045464 /nfs/dbraw/zinc/04/54/64/945045464.db2.gz YAANJNPUCKPXIV-UHFFFAOYSA-N 0 3 254.305 1.408 20 10 CDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238063528 945045472 /nfs/dbraw/zinc/04/54/72/945045472.db2.gz YAANJNPUCKPXIV-UHFFFAOYSA-N 0 3 254.305 1.408 20 10 CDCDHN O=S1(=O)CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001254321537 947360907 /nfs/dbraw/zinc/36/09/07/947360907.db2.gz IUYBXZIMLBBXAW-CQSZACIVSA-N 0 3 291.372 1.822 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249177531 949443367 /nfs/dbraw/zinc/44/33/67/949443367.db2.gz CBADBZOQFMSWAZ-CYBMUJFWSA-N 0 3 293.363 1.576 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249177531 949443375 /nfs/dbraw/zinc/44/33/75/949443375.db2.gz CBADBZOQFMSWAZ-CYBMUJFWSA-N 0 3 293.363 1.576 20 10 CDCDHN OCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001253304484 951846886 /nfs/dbraw/zinc/84/68/86/951846886.db2.gz XMMGKWUWRWABQM-UHFFFAOYSA-N 0 3 289.423 1.397 20 10 CDCDHN C=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335323605 959709928 /nfs/dbraw/zinc/70/99/28/959709928.db2.gz GXVLFKSCHBBUNG-AWEZNQCLSA-N 0 3 261.369 1.658 20 10 CDCDHN Nc1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC001352786838 967478666 /nfs/dbraw/zinc/47/86/66/967478666.db2.gz AZHSJXBYHVOJAE-CQSZACIVSA-N 0 3 262.353 1.996 20 10 CDCDHN COCCN(CCOC)Cc1cc(C)ccc1O ZINC000133409690 398206460 /nfs/dbraw/zinc/20/64/60/398206460.db2.gz QCJDDYHKWFGMKE-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN COCC[NH+](CCOC)Cc1cc(C)ccc1[O-] ZINC000133409690 398206463 /nfs/dbraw/zinc/20/64/63/398206463.db2.gz QCJDDYHKWFGMKE-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccccc1[O-] ZINC000036781520 356883530 /nfs/dbraw/zinc/88/35/30/356883530.db2.gz LTLYNFMNPCXMHQ-GFCCVEGCSA-N 0 3 250.342 1.958 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCCS(C)(=O)=O)c1 ZINC000037740489 356922143 /nfs/dbraw/zinc/92/21/43/356922143.db2.gz POXKQYJCRRIGHY-SECBINFHSA-N 0 3 273.354 1.096 20 10 CDCDHN CCCCCN(CC(N)=O)Cc1ccccc1O ZINC000180809199 357289746 /nfs/dbraw/zinc/28/97/46/357289746.db2.gz OWXDTERITCHPCF-UHFFFAOYSA-N 0 3 250.342 1.870 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000180829458 357290454 /nfs/dbraw/zinc/29/04/54/357290454.db2.gz LTUUVDDESXPPSX-GFCCVEGCSA-N 0 3 257.330 1.489 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CC2(C(=O)OC)CC2)c1 ZINC000188684167 357926227 /nfs/dbraw/zinc/92/62/27/357926227.db2.gz QBPHGTQDIOWSAS-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN COc1cccc(CN2CC[C@H](n3cncn3)C2)c1O ZINC000364514570 358438121 /nfs/dbraw/zinc/43/81/21/358438121.db2.gz XYEFSIPFAQXRTJ-LBPRGKRZSA-N 0 3 274.324 1.439 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000294911960 199243612 /nfs/dbraw/zinc/24/36/12/199243612.db2.gz WOAFGCRPZUIHNT-DOMZBBRYSA-N 0 3 265.353 1.811 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000124563107 360377558 /nfs/dbraw/zinc/37/75/58/360377558.db2.gz AVGRTOFFAAQUSK-AWEZNQCLSA-N 0 3 263.385 1.709 20 10 CDCDHN CCOc1cccc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000227213965 367390935 /nfs/dbraw/zinc/39/09/35/367390935.db2.gz HTDWLCUNBZCZOJ-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN CC(C)NCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000580726194 372673663 /nfs/dbraw/zinc/67/36/63/372673663.db2.gz KRLNSBCGUCDZKM-UHFFFAOYSA-N 0 3 277.368 1.476 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000163297747 377532348 /nfs/dbraw/zinc/53/23/48/377532348.db2.gz YCCPZARVMXMIJQ-GHMZBOCLSA-N 0 3 251.326 1.915 20 10 CDCDHN Cc1cc(CN(CCO)C[C@@H](C)O)ccc1N(C)C ZINC000293652647 378593749 /nfs/dbraw/zinc/59/37/49/378593749.db2.gz SNFCJGUMEJNZAA-CYBMUJFWSA-N 0 3 266.385 1.236 20 10 CDCDHN CCS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1O ZINC000185330791 378652785 /nfs/dbraw/zinc/65/27/85/378652785.db2.gz NGTNCYQQOXWUOU-LLVKDONJSA-N 0 3 271.382 1.786 20 10 CDCDHN COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000278349025 522633790 /nfs/dbraw/zinc/63/37/90/522633790.db2.gz MMYYSWUWWYNZIX-GXTWGEPZSA-N 0 3 283.368 1.236 20 10 CDCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000278349025 522633795 /nfs/dbraw/zinc/63/37/95/522633795.db2.gz MMYYSWUWWYNZIX-GXTWGEPZSA-N 0 3 283.368 1.236 20 10 CDCDHN C[N@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000173358968 391105314 /nfs/dbraw/zinc/10/53/14/391105314.db2.gz STBLWTAJZZZYCT-UHFFFAOYSA-N 0 3 264.369 1.546 20 10 CDCDHN C[N@@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000173358968 391105317 /nfs/dbraw/zinc/10/53/17/391105317.db2.gz STBLWTAJZZZYCT-UHFFFAOYSA-N 0 3 264.369 1.546 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000182513774 391235994 /nfs/dbraw/zinc/23/59/94/391235994.db2.gz MQWJGIGGQHHRJY-JTQLQIEISA-N 0 3 252.314 1.054 20 10 CDCDHN COc1cccc(CN2CCC[C@@H](n3cncn3)C2)c1O ZINC000179468657 391206210 /nfs/dbraw/zinc/20/62/10/391206210.db2.gz JEQRBJNJVCBRCW-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000183547641 391267069 /nfs/dbraw/zinc/26/70/69/391267069.db2.gz FTHRPIQNRPSJDJ-OCCSQVGLSA-N 0 3 292.379 1.680 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000038060608 174071554 /nfs/dbraw/zinc/07/15/54/174071554.db2.gz RLFHSVPDHPZQPY-NEPJUHHUSA-N 0 3 251.326 1.767 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082635 174092145 /nfs/dbraw/zinc/09/21/45/174092145.db2.gz FHBGCKWSUQTKMO-QWRGUYRKSA-N 0 3 269.366 1.478 20 10 CDCDHN COc1cccc(CN(C)CCN2CCOCC2)c1O ZINC000092974874 260505917 /nfs/dbraw/zinc/50/59/17/260505917.db2.gz WNESPAGDBXUTHD-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN COCCN(CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000158195597 261161060 /nfs/dbraw/zinc/16/10/60/261161060.db2.gz KVADNDFUISAULL-UHFFFAOYSA-N 0 3 284.375 1.987 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@]2(CO)CCOC2)c([O-])c1 ZINC000184197356 262011907 /nfs/dbraw/zinc/01/19/07/262011907.db2.gz UWTNYOQJXHZBMB-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000186178287 262083449 /nfs/dbraw/zinc/08/34/49/262083449.db2.gz ZHKCYZROLNUMLE-BXUZGUMPSA-N 0 3 251.326 1.503 20 10 CDCDHN COc1cc(O)c(CN2CC([C@H]3CCOC3)C2)cc1OC ZINC000368441483 267172902 /nfs/dbraw/zinc/17/29/02/267172902.db2.gz LKLNDBZDSVNTQH-NSHDSACASA-N 0 3 293.363 1.878 20 10 CDCDHN COc1cccc(CN2CCC3(CCOC3=O)CC2)c1O ZINC000371331437 267391493 /nfs/dbraw/zinc/39/14/93/267391493.db2.gz HVNYHGRETPDDNT-UHFFFAOYSA-N 0 3 291.347 1.930 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1C ZINC000377188630 268054674 /nfs/dbraw/zinc/05/46/74/268054674.db2.gz AIVOUXUWKFPWDG-LBPRGKRZSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1C ZINC000377188630 268054676 /nfs/dbraw/zinc/05/46/76/268054676.db2.gz AIVOUXUWKFPWDG-LBPRGKRZSA-N 0 3 262.353 1.706 20 10 CDCDHN Nc1ccc(CC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000062973060 329356708 /nfs/dbraw/zinc/35/67/08/329356708.db2.gz FZEWDKANLDFEGF-OAHLLOKOSA-N 0 3 273.380 1.508 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000162319660 330901556 /nfs/dbraw/zinc/90/15/56/330901556.db2.gz SWXJQXKMJOLTNG-UHFFFAOYSA-N 0 3 267.325 1.032 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000228099220 333294944 /nfs/dbraw/zinc/29/49/44/333294944.db2.gz HNCWPOLWXAGNAB-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000228099220 333294946 /nfs/dbraw/zinc/29/49/46/333294946.db2.gz HNCWPOLWXAGNAB-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000271171189 482832082 /nfs/dbraw/zinc/83/20/82/482832082.db2.gz IVFVUWDOIPTWAF-LBPRGKRZSA-N 0 3 298.408 1.201 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000271171189 482832087 /nfs/dbraw/zinc/83/20/87/482832087.db2.gz IVFVUWDOIPTWAF-LBPRGKRZSA-N 0 3 298.408 1.201 20 10 CDCDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000037001267 519775285 /nfs/dbraw/zinc/77/52/85/519775285.db2.gz DPSVMACQUIMVFT-HNNXBMFYSA-N 0 3 277.412 1.904 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCOCCOC)c1 ZINC000290068456 521139346 /nfs/dbraw/zinc/13/93/46/521139346.db2.gz FSYVCLAHZGZARE-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000290736973 520414194 /nfs/dbraw/zinc/41/41/94/520414194.db2.gz ZEMDSLBOOJLONV-LLVKDONJSA-N 0 3 280.368 1.948 20 10 CDCDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000290736973 520414200 /nfs/dbraw/zinc/41/42/00/520414200.db2.gz ZEMDSLBOOJLONV-LLVKDONJSA-N 0 3 280.368 1.948 20 10 CDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CN ZINC000236916115 521287103 /nfs/dbraw/zinc/28/71/03/521287103.db2.gz MJKRRCPJQDVWBY-UHFFFAOYSA-N 0 3 287.157 1.462 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC[C@H](C)O)cc1OC ZINC000279347753 522778713 /nfs/dbraw/zinc/77/87/13/522778713.db2.gz FQMGWCSVQAOHTL-JTQLQIEISA-N 0 3 269.341 1.660 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCCC1 ZINC000093503218 523184668 /nfs/dbraw/zinc/18/46/68/523184668.db2.gz HGWDLICRECXOFV-UHFFFAOYSA-N 0 3 279.336 1.858 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCCC1 ZINC000093503218 523184675 /nfs/dbraw/zinc/18/46/75/523184675.db2.gz HGWDLICRECXOFV-UHFFFAOYSA-N 0 3 279.336 1.858 20 10 CDCDHN C[C@H](CCCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000094941933 524149542 /nfs/dbraw/zinc/14/95/42/524149542.db2.gz UCHZATBTZBMSNF-SECBINFHSA-N 0 3 253.298 1.372 20 10 CDCDHN C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000279479611 524621966 /nfs/dbraw/zinc/62/19/66/524621966.db2.gz TXDWGFRQQAXZBY-LBPRGKRZSA-N 0 3 282.359 1.684 20 10 CDCDHN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000279479611 524621975 /nfs/dbraw/zinc/62/19/75/524621975.db2.gz TXDWGFRQQAXZBY-LBPRGKRZSA-N 0 3 282.359 1.684 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275690332 524746122 /nfs/dbraw/zinc/74/61/22/524746122.db2.gz ASASWIXMKUFZCF-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275690332 524746131 /nfs/dbraw/zinc/74/61/31/524746131.db2.gz ASASWIXMKUFZCF-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](O)C(C)(C)C2)c1 ZINC000275690332 524746138 /nfs/dbraw/zinc/74/61/38/524746138.db2.gz ASASWIXMKUFZCF-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCCNC2=O)c1 ZINC000036977197 524774034 /nfs/dbraw/zinc/77/40/34/524774034.db2.gz PEDRWSPSDWCGJH-GWCFXTLKSA-N 0 3 278.352 1.720 20 10 CDCDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C ZINC000237528273 524786842 /nfs/dbraw/zinc/78/68/42/524786842.db2.gz LKHKLZSRCSCJRB-WFASDCNBSA-N 0 3 275.396 1.752 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068800507 525505580 /nfs/dbraw/zinc/50/55/80/525505580.db2.gz MLCJIKCUKIHMPS-OLZOCXBDSA-N 0 3 263.385 1.289 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000729682583 574820578 /nfs/dbraw/zinc/82/05/78/574820578.db2.gz WBGGDUGZICEJED-GFCCVEGCSA-N 0 3 250.342 1.585 20 10 CDCDHN CCOCc1cc(CNC[C@](C)(O)COC)ccc1OC ZINC000732672541 575093545 /nfs/dbraw/zinc/09/35/45/575093545.db2.gz REDVGIBMKWYGDS-INIZCTEOSA-N 0 3 297.395 1.719 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC[S@](C)=O ZINC000735085301 575423789 /nfs/dbraw/zinc/42/37/89/575423789.db2.gz QAYPUJITPTVNHT-KRWDZBQOSA-N 0 3 257.355 1.259 20 10 CDCDHN CC[NH+]1CCC(N(C)C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000770484185 575455111 /nfs/dbraw/zinc/45/51/11/575455111.db2.gz AYLXRVGMWHBZIA-UHFFFAOYSA-N 0 3 292.379 1.963 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC000768240772 576266639 /nfs/dbraw/zinc/26/66/39/576266639.db2.gz FPZDVGWZBFZKBV-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462449 576286743 /nfs/dbraw/zinc/28/67/43/576286743.db2.gz LMTKLDPXELFCSG-YGRLFVJLSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@@H]1COCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462449 576286744 /nfs/dbraw/zinc/28/67/44/576286744.db2.gz LMTKLDPXELFCSG-YGRLFVJLSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464733 576287271 /nfs/dbraw/zinc/28/72/71/576287271.db2.gz SWWZERAQXNWLFI-GXFFZTMASA-N 0 3 265.309 1.039 20 10 CDCDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464733 576287272 /nfs/dbraw/zinc/28/72/72/576287272.db2.gz SWWZERAQXNWLFI-GXFFZTMASA-N 0 3 265.309 1.039 20 10 CDCDHN COc1cccc(C[N@H+](CCCO)C2CC2)c1[O-] ZINC000769404617 576352336 /nfs/dbraw/zinc/35/23/36/576352336.db2.gz MLFTYRPIQHHPBJ-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@@H+](CCCO)C2CC2)c1[O-] ZINC000769404617 576352337 /nfs/dbraw/zinc/35/23/37/576352337.db2.gz MLFTYRPIQHHPBJ-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[NH2+]CCc2ccn(C)n2)c([O-])c1 ZINC000760650635 576499254 /nfs/dbraw/zinc/49/92/54/576499254.db2.gz UDOPDQSNCVXGDH-UHFFFAOYSA-N 0 3 275.352 1.857 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000756546934 576994490 /nfs/dbraw/zinc/99/44/90/576994490.db2.gz WARSBLHZHJCXGI-NWDGAFQWSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c([O-])c1C ZINC000756554803 576995442 /nfs/dbraw/zinc/99/54/42/576995442.db2.gz JEMUODOSNHXXPQ-QWHCGFSZSA-N 0 3 266.385 1.582 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNc2cnccn2)c1 ZINC000756647330 576998390 /nfs/dbraw/zinc/99/83/90/576998390.db2.gz SLZZHQTYMHINTK-LLVKDONJSA-N 0 3 288.351 1.954 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756759998 577003419 /nfs/dbraw/zinc/00/34/19/577003419.db2.gz NAVIDBLQVSYGMK-OZVIIMIRSA-N 0 3 294.395 1.771 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000759173066 577156849 /nfs/dbraw/zinc/15/68/49/577156849.db2.gz MJKSDYNRISMDPS-TZMCWYRMSA-N 0 3 281.352 1.684 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000759174000 577157255 /nfs/dbraw/zinc/15/72/55/577157255.db2.gz SVOXJLYXRBBGSX-UKRRQHHQSA-N 0 3 265.353 1.984 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)O)N(C)C)cc1 ZINC000891247996 617391243 /nfs/dbraw/zinc/39/12/43/617391243.db2.gz JUIMOADQSGDVSY-AWEZNQCLSA-N 0 3 293.411 1.242 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNc1ccncc1CO ZINC000892564501 617507520 /nfs/dbraw/zinc/50/75/20/617507520.db2.gz UNYYVGMCTBQMGP-UHFFFAOYSA-N 0 3 271.364 1.982 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000795583998 618389495 /nfs/dbraw/zinc/38/94/95/618389495.db2.gz VDYNZBZUZVJZQW-NEPJUHHUSA-N 0 3 281.352 1.135 20 10 CDCDHN COc1ccc(CN[C@H](C)c2n[nH]c(C)n2)c(O)c1OC ZINC000894466822 618903703 /nfs/dbraw/zinc/90/37/03/618903703.db2.gz FDKQLFXTIOTMCW-MRVPVSSYSA-N 0 3 292.339 1.687 20 10 CDCDHN COc1cc(C)cc(CNCC(=O)NC2CC2)c1O ZINC000894783601 619058950 /nfs/dbraw/zinc/05/89/50/619058950.db2.gz WJDWTZANZXLJBW-UHFFFAOYSA-N 0 3 264.325 1.077 20 10 CDCDHN C[C@@H](CCNCc1cc([N+](=O)[O-])ccc1[O-])[NH+](C)C ZINC000895297445 619529874 /nfs/dbraw/zinc/52/98/74/619529874.db2.gz MGIFAPBYZIRMLZ-JTQLQIEISA-N 0 3 267.329 1.730 20 10 CDCDHN COc1ccc(CNC[C@@H]2CC(C)=NO2)c(O)c1OC ZINC000895429725 619656569 /nfs/dbraw/zinc/65/65/69/619656569.db2.gz TWYUMBQGUYTMIU-NSHDSACASA-N 0 3 280.324 1.664 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896379677 620073503 /nfs/dbraw/zinc/07/35/03/620073503.db2.gz CYNIQPRUFTYUMR-GFCCVEGCSA-N 0 3 263.337 1.895 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896379677 620073506 /nfs/dbraw/zinc/07/35/06/620073506.db2.gz CYNIQPRUFTYUMR-GFCCVEGCSA-N 0 3 263.337 1.895 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000790936365 1162176716 /nfs/dbraw/zinc/17/67/16/1162176716.db2.gz FDTKYAGVEXVDOC-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000790936365 1162176718 /nfs/dbraw/zinc/17/67/18/1162176718.db2.gz FDTKYAGVEXVDOC-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000872141219 1165384260 /nfs/dbraw/zinc/38/42/60/1165384260.db2.gz QYQDHCQDEOQGLF-BQKRADJCSA-N 0 3 281.327 1.819 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035601342 1165745886 /nfs/dbraw/zinc/74/58/86/1165745886.db2.gz VWIJBGBQCGHFDU-HNNXBMFYSA-N 0 3 259.305 1.921 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876798863 1165918289 /nfs/dbraw/zinc/91/82/89/1165918289.db2.gz QUGQFZQRQRHFEU-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876798863 1165918296 /nfs/dbraw/zinc/91/82/96/1165918296.db2.gz QUGQFZQRQRHFEU-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)[C@@H]1C ZINC000787421508 805073171 /nfs/dbraw/zinc/07/31/71/805073171.db2.gz STHJNGAUVINHGA-MNOVXSKESA-N 0 3 279.336 1.784 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)[C@@H]1C ZINC000787421508 805073181 /nfs/dbraw/zinc/07/31/81/805073181.db2.gz STHJNGAUVINHGA-MNOVXSKESA-N 0 3 279.336 1.784 20 10 CDCDHN Cc1ccc(C[NH2+][C@]2(CCO)CCOC2)c([O-])c1 ZINC000877481941 811083803 /nfs/dbraw/zinc/08/38/03/811083803.db2.gz YBFCQAZYOVKLCE-CQSZACIVSA-N 0 3 251.326 1.332 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c([O-])c1 ZINC000858549689 811087129 /nfs/dbraw/zinc/08/71/29/811087129.db2.gz ZBQVFSRYWWYXPX-CHWSQXEVSA-N 0 3 264.369 1.418 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000802310478 811205268 /nfs/dbraw/zinc/20/52/68/811205268.db2.gz VYIXYZHNQVHVBZ-NGZCFLSTSA-N 0 3 269.316 1.677 20 10 CDCDHN CCOc1cccc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000846111971 811808135 /nfs/dbraw/zinc/80/81/35/811808135.db2.gz SPUURJHEWWTMTA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000846111971 811808136 /nfs/dbraw/zinc/80/81/36/811808136.db2.gz SPUURJHEWWTMTA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824563998 811912673 /nfs/dbraw/zinc/91/26/73/811912673.db2.gz FDIKVFKMPJXERU-CQSZACIVSA-N 0 3 282.359 1.468 20 10 CDCDHN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412030 812075741 /nfs/dbraw/zinc/07/57/41/812075741.db2.gz BMKWQOQTDDGHHP-QWRGUYRKSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412030 812075748 /nfs/dbraw/zinc/07/57/48/812075748.db2.gz BMKWQOQTDDGHHP-QWRGUYRKSA-N 0 3 253.317 1.982 20 10 CDCDHN COc1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1C ZINC000930011817 812119409 /nfs/dbraw/zinc/11/94/09/812119409.db2.gz ODERZPGWQBXJHU-CYBMUJFWSA-N 0 3 264.369 1.993 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1 ZINC000311825367 812170301 /nfs/dbraw/zinc/17/03/01/812170301.db2.gz FJPIMNCESKPBHD-BXKDBHETSA-N 0 3 285.365 1.066 20 10 CDCDHN C[NH2+]C[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000854232529 812295720 /nfs/dbraw/zinc/29/57/20/812295720.db2.gz SDOLZRFNHIJQHK-UWVGGRQHSA-N 0 3 266.341 1.437 20 10 CDCDHN CCn1nnc(C)c1CNCc1cc(C)ccc1O ZINC000858239998 812345948 /nfs/dbraw/zinc/34/59/48/812345948.db2.gz YNQDEKKQMGLVGO-UHFFFAOYSA-N 0 3 260.341 1.910 20 10 CDCDHN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])CC1 ZINC000817412587 812800977 /nfs/dbraw/zinc/80/09/77/812800977.db2.gz MWQRYZOOGMHAJQ-HAQNSBGRSA-N 0 3 262.353 1.774 20 10 CDCDHN COc1cccc(CN[C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842722204 812864050 /nfs/dbraw/zinc/86/40/50/812864050.db2.gz ZXVXDOYMRCPTLN-LBPRGKRZSA-N 0 3 292.379 1.890 20 10 CDCDHN COc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O ZINC000228943645 812905196 /nfs/dbraw/zinc/90/51/96/812905196.db2.gz AYHPKPBYYXOVNR-SNVBAGLBSA-N 0 3 266.341 1.404 20 10 CDCDHN COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)c([O-])c1 ZINC000040906567 813077123 /nfs/dbraw/zinc/07/71/23/813077123.db2.gz POXHFLYUPIGHLK-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000866421219 813098592 /nfs/dbraw/zinc/09/85/92/813098592.db2.gz XSULCXBUFYLBEX-LTGWCKQJSA-N 0 3 267.300 1.429 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000876767121 813351174 /nfs/dbraw/zinc/35/11/74/813351174.db2.gz BLUWTEKKJZWNAA-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000876767121 813351182 /nfs/dbraw/zinc/35/11/82/813351182.db2.gz BLUWTEKKJZWNAA-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848565615 813570717 /nfs/dbraw/zinc/57/07/17/813570717.db2.gz YQANBCYRUVYYSU-GHMZBOCLSA-N 0 3 272.352 1.729 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1c([O-])cccc1OC ZINC000800531434 813811043 /nfs/dbraw/zinc/81/10/43/813811043.db2.gz FBXGGPOOOMGIKO-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1c([O-])cccc1OC ZINC000800531434 813811044 /nfs/dbraw/zinc/81/10/44/813811044.db2.gz FBXGGPOOOMGIKO-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CC1=CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797822205 813812334 /nfs/dbraw/zinc/81/23/34/813812334.db2.gz MABSZLFSNKKREW-AWEZNQCLSA-N 0 3 261.321 1.970 20 10 CDCDHN CC1=CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797822205 813812338 /nfs/dbraw/zinc/81/23/38/813812338.db2.gz MABSZLFSNKKREW-AWEZNQCLSA-N 0 3 261.321 1.970 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000706855336 813842699 /nfs/dbraw/zinc/84/26/99/813842699.db2.gz DQCZZEOOQZIPGN-AOOOYVTPSA-N 0 3 297.196 1.806 20 10 CDCDHN COc1ccc(O)c(CN(C)CCN2CCCC2=O)c1 ZINC000775692609 814309993 /nfs/dbraw/zinc/30/99/93/814309993.db2.gz ZIXWGZRTRQGFCK-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN Cc1ccc(C[NH2+]CCSCCCO)c([O-])c1 ZINC000877014160 814552272 /nfs/dbraw/zinc/55/22/72/814552272.db2.gz OBSOHTSJRXCJHH-UHFFFAOYSA-N 0 3 255.383 1.906 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000877628492 814557954 /nfs/dbraw/zinc/55/79/54/814557954.db2.gz IKZQDPSNUFPMKU-TZMCWYRMSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000877628492 814557961 /nfs/dbraw/zinc/55/79/61/814557961.db2.gz IKZQDPSNUFPMKU-TZMCWYRMSA-N 0 3 274.364 1.801 20 10 CDCDHN COCC1(C[NH2+]Cc2c([O-])cccc2OC)CCOCC1 ZINC000813780448 814629768 /nfs/dbraw/zinc/62/97/68/814629768.db2.gz BELNEALKDXBUMR-UHFFFAOYSA-N 0 3 295.379 1.934 20 10 CDCDHN COCC[N@H+](CCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000779021543 816805558 /nfs/dbraw/zinc/80/55/58/816805558.db2.gz UEQGPFGTTRFZRB-UHFFFAOYSA-N 0 3 285.315 1.543 20 10 CDCDHN COCC[N@@H+](CCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000779021543 816805559 /nfs/dbraw/zinc/80/55/59/816805559.db2.gz UEQGPFGTTRFZRB-UHFFFAOYSA-N 0 3 285.315 1.543 20 10 CDCDHN CCc1cccc(CNCc2cnnn2CC)c1O ZINC000862434597 816823038 /nfs/dbraw/zinc/82/30/38/816823038.db2.gz YBOKIBSSBITXOC-UHFFFAOYSA-N 0 3 260.341 1.856 20 10 CDCDHN COc1ccc(CN[C@@H]2COCC[C@H]2O)cc1C ZINC000710881278 816860259 /nfs/dbraw/zinc/86/02/59/816860259.db2.gz WJNGCIYELSUWQE-CHWSQXEVSA-N 0 3 251.326 1.243 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@H](CO)C2CC2)cc1F ZINC000858137799 816890547 /nfs/dbraw/zinc/89/05/47/816890547.db2.gz GVLOLFUEBOZDKA-CYBMUJFWSA-N 0 3 270.323 1.891 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000780787242 817544218 /nfs/dbraw/zinc/54/42/18/817544218.db2.gz TWOHPQDKDGQOPD-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000780787242 817544233 /nfs/dbraw/zinc/54/42/33/817544233.db2.gz TWOHPQDKDGQOPD-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN CC(C)[C@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC000843104443 817609234 /nfs/dbraw/zinc/60/92/34/817609234.db2.gz HWUTYDNKUPHNRC-CYBMUJFWSA-N 0 3 252.333 1.961 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000183614290 917471569 /nfs/dbraw/zinc/47/15/69/917471569.db2.gz AEZPWROXGRCVSV-MNOVXSKESA-N 0 3 260.337 1.806 20 10 CDCDHN CN(C)C1(C)CN(C(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155540 917692754 /nfs/dbraw/zinc/69/27/54/917692754.db2.gz XZNMKEFJSVQHSE-UHFFFAOYSA-N 0 3 278.352 1.193 20 10 CDCDHN O=C1COC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203550354 919305112 /nfs/dbraw/zinc/30/51/12/919305112.db2.gz SVSFMUFRTCVAOO-UHFFFAOYSA-N 0 3 261.321 1.716 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)C1(CO)CC1 ZINC000827904079 936613377 /nfs/dbraw/zinc/61/33/77/936613377.db2.gz UQXILMKMURAWCU-UHFFFAOYSA-N 0 3 294.370 1.619 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001140660351 936736235 /nfs/dbraw/zinc/73/62/35/936736235.db2.gz OWLLAYOIMGBATD-BLLLJJGKSA-N 0 3 294.370 1.475 20 10 CDCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140746190 936749227 /nfs/dbraw/zinc/74/92/27/936749227.db2.gz VSNUOGNSEODLEP-CYBMUJFWSA-N 0 3 278.352 1.507 20 10 CDCDHN COc1cc(O)c(CN2CC([C@@H](C)OC)C2)c(OC)c1 ZINC001141030852 936794726 /nfs/dbraw/zinc/79/47/26/936794726.db2.gz NSOMQIFBNQMMHO-SNVBAGLBSA-N 0 3 281.352 1.876 20 10 CDCDHN Oc1cc(F)c(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001142508562 937024748 /nfs/dbraw/zinc/02/47/48/937024748.db2.gz CVMVUXZWPOYNCK-GFCCVEGCSA-N 0 3 298.333 1.577 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816667104 930333366 /nfs/dbraw/zinc/33/33/66/930333366.db2.gz CMRSCMJDLWFJIT-HOTGVXAUSA-N 0 3 277.364 1.802 20 10 CDCDHN OC[C@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2 ZINC000717808726 931372583 /nfs/dbraw/zinc/37/25/83/931372583.db2.gz BHKJNTUVFBRKMM-QMMMGPOBSA-N 0 3 293.241 1.524 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275267849 931719040 /nfs/dbraw/zinc/71/90/40/931719040.db2.gz YYMNFCGCCDWFHI-GOEBONIOSA-N 0 3 298.390 1.822 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275267849 931719044 /nfs/dbraw/zinc/71/90/44/931719044.db2.gz YYMNFCGCCDWFHI-GOEBONIOSA-N 0 3 298.390 1.822 20 10 CDCDHN Oc1cc(O)c(CN2CCCC23COC3)c(O)c1 ZINC001144509282 931875539 /nfs/dbraw/zinc/87/55/39/931875539.db2.gz RSKCWUOAKILQAF-UHFFFAOYSA-N 0 3 251.282 1.168 20 10 CDCDHN C[NH+](C)CCC(C)(C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589704 932752463 /nfs/dbraw/zinc/75/24/63/932752463.db2.gz HYIKGLRAENUEND-UHFFFAOYSA-N 0 3 282.340 1.264 20 10 CDCDHN CN1CCN(Cc2ccc(O)c(O)c2)CC1(C)C ZINC001203878539 939711066 /nfs/dbraw/zinc/71/10/66/939711066.db2.gz BMFXVJPPUYYUKO-UHFFFAOYSA-N 0 3 250.342 1.624 20 10 CDCDHN CC1(C)OC[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)O1 ZINC001207931648 940265024 /nfs/dbraw/zinc/26/50/24/940265024.db2.gz GWKDYUWYMHVTHJ-LBPRGKRZSA-N 0 3 263.337 1.902 20 10 CDCDHN CC1(C)OC[C@H](C[N@H+]2CCc3cccc([O-])c3C2)O1 ZINC001207931648 940265027 /nfs/dbraw/zinc/26/50/27/940265027.db2.gz GWKDYUWYMHVTHJ-LBPRGKRZSA-N 0 3 263.337 1.902 20 10 CDCDHN C[NH+](C)CCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000166373521 940342774 /nfs/dbraw/zinc/34/27/74/940342774.db2.gz GLEHICQXOKXLNP-UHFFFAOYSA-N 0 3 281.375 1.211 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])Cc1c[nH]c(=O)[nH]c1=O ZINC001231709360 942987926 /nfs/dbraw/zinc/98/79/26/942987926.db2.gz SVKXPCZOGGYVCU-UHFFFAOYSA-N 0 3 261.281 1.225 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])Cc1c[nH]c(=O)[nH]c1=O ZINC001231709360 942987934 /nfs/dbraw/zinc/98/79/34/942987934.db2.gz SVKXPCZOGGYVCU-UHFFFAOYSA-N 0 3 261.281 1.225 20 10 CDCDHN Oc1cc(CN2CC(N3CCCC3)C2)cc(O)c1O ZINC001233012545 943462489 /nfs/dbraw/zinc/46/24/89/943462489.db2.gz JVVMSYATKUFPEX-UHFFFAOYSA-N 0 3 264.325 1.083 20 10 CDCDHN CC(C)(O)[C@@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233017645 943466359 /nfs/dbraw/zinc/46/63/59/943466359.db2.gz YCCZVQZZPDRGFA-LBPRGKRZSA-N 0 3 267.325 1.539 20 10 CDCDHN CCCO[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485297 943593028 /nfs/dbraw/zinc/59/30/28/943593028.db2.gz QAHLLNAUYKXMGL-NSHDSACASA-N 0 3 267.325 1.804 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)[C@@H]1C ZINC001233485901 943593940 /nfs/dbraw/zinc/59/39/40/943593940.db2.gz PQPQJVRSEWUACY-KOLCDFICSA-N 0 3 295.335 1.577 20 10 CDCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)cc1Br ZINC001236174086 944423709 /nfs/dbraw/zinc/42/37/09/944423709.db2.gz PHSYUKFSQDXMMM-SNVBAGLBSA-N 0 3 285.185 1.996 20 10 CDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236291308 944450352 /nfs/dbraw/zinc/45/03/52/944450352.db2.gz LKFZUUMQQDHBNW-GXSJLCMTSA-N 0 3 272.270 1.815 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001237042825 944644463 /nfs/dbraw/zinc/64/44/63/944644463.db2.gz KIUVPYROGOVHMJ-UHFFFAOYSA-N 0 3 280.368 1.701 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001237042825 944644464 /nfs/dbraw/zinc/64/44/64/944644464.db2.gz KIUVPYROGOVHMJ-UHFFFAOYSA-N 0 3 280.368 1.701 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237046153 944646908 /nfs/dbraw/zinc/64/69/08/944646908.db2.gz QVTNNNDISAVHBV-HIFRSBDPSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237046153 944646912 /nfs/dbraw/zinc/64/69/12/944646912.db2.gz QVTNNNDISAVHBV-HIFRSBDPSA-N 0 3 265.353 1.301 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001237496357 944818147 /nfs/dbraw/zinc/81/81/47/944818147.db2.gz YIBBGYOLXSXMBE-UHFFFAOYSA-N 0 3 291.395 1.936 20 10 CDCDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)c(O)c(OC)c1 ZINC001237668724 944917684 /nfs/dbraw/zinc/91/76/84/944917684.db2.gz GBNRCHBSDUJOGH-NWDGAFQWSA-N 0 3 294.395 1.934 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001237681399 944923897 /nfs/dbraw/zinc/92/38/97/944923897.db2.gz OYKHKXWJIQZCOG-MFKMUULPSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1[O-] ZINC001237681399 944923900 /nfs/dbraw/zinc/92/39/00/944923900.db2.gz OYKHKXWJIQZCOG-MFKMUULPSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1[O-] ZINC001237681399 944923905 /nfs/dbraw/zinc/92/39/05/944923905.db2.gz OYKHKXWJIQZCOG-MFKMUULPSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001238064090 945044090 /nfs/dbraw/zinc/04/40/90/945044090.db2.gz NWONBCBEJRQBPK-HNNXBMFYSA-N 0 3 278.327 1.552 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001238064090 945044079 /nfs/dbraw/zinc/04/40/79/945044079.db2.gz NWONBCBEJRQBPK-HNNXBMFYSA-N 0 3 278.327 1.552 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H](N2CCc3cccc(O)c3C2)CN1 ZINC001246869355 948493035 /nfs/dbraw/zinc/49/30/35/948493035.db2.gz RIEXWOBDVJQQHJ-OCCSQVGLSA-N 0 3 290.363 1.044 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001249171260 949436020 /nfs/dbraw/zinc/43/60/20/949436020.db2.gz AYORKJPRIWWEED-IAQYHMDHSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001249171260 949436035 /nfs/dbraw/zinc/43/60/35/949436035.db2.gz AYORKJPRIWWEED-IAQYHMDHSA-N 0 3 293.363 1.310 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001308585391 956552750 /nfs/dbraw/zinc/55/27/50/956552750.db2.gz YXRSECWDSJQMMR-LLVKDONJSA-N 0 3 280.368 1.523 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001308585391 956552762 /nfs/dbraw/zinc/55/27/62/956552762.db2.gz YXRSECWDSJQMMR-LLVKDONJSA-N 0 3 280.368 1.523 20 10 CDCDHN Nc1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC001337837746 961460972 /nfs/dbraw/zinc/46/09/72/961460972.db2.gz DMTXULIWKKKLCV-CQSZACIVSA-N 0 3 274.368 1.305 20 10 CDCDHN CCCC[C@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001577410352 1171663756 /nfs/dbraw/zinc/66/37/56/1171663756.db2.gz AOGCWQUGBMPVBH-NSHDSACASA-N 0 3 254.305 1.665 20 10 CDCDHN C[C@H](CCO)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295175760 199387601 /nfs/dbraw/zinc/38/76/01/199387601.db2.gz UZWJRBQFMQOATF-JTQLQIEISA-N 0 3 267.325 1.619 20 10 CDCDHN CCN1CCN(CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000019260539 358037854 /nfs/dbraw/zinc/03/78/54/358037854.db2.gz CTUNSNIVPNNTPJ-UHFFFAOYSA-N 0 3 276.384 1.235 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189969986 358046866 /nfs/dbraw/zinc/04/68/66/358046866.db2.gz ITKUUIJUCFDCRV-UHFFFAOYSA-N 0 3 272.352 1.896 20 10 CDCDHN CCOc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000019899958 358213750 /nfs/dbraw/zinc/21/37/50/358213750.db2.gz WSWOPARICKAGQD-LLVKDONJSA-N 0 3 285.365 1.068 20 10 CDCDHN CCOCc1cc(CNC[C@@]2(O)CCOC2)ccc1OC ZINC000179017901 366511232 /nfs/dbraw/zinc/51/12/32/366511232.db2.gz IYZODBQFDOXSKF-INIZCTEOSA-N 0 3 295.379 1.473 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2cnnn2C)c1 ZINC000287228752 359304962 /nfs/dbraw/zinc/30/49/62/359304962.db2.gz GLDCGBHUVUDCDB-SECBINFHSA-N 0 3 262.313 1.380 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC000281395448 363800943 /nfs/dbraw/zinc/80/09/43/363800943.db2.gz XCLPZBKHWWKVDP-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN O=C(NCCCO)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271235692 364977768 /nfs/dbraw/zinc/97/77/68/364977768.db2.gz CDVPBCWQNJHHFB-UHFFFAOYSA-N 0 3 292.379 1.103 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000171766527 365382345 /nfs/dbraw/zinc/38/23/45/365382345.db2.gz MYJABSNFDNOLCN-UHFFFAOYSA-N 0 3 294.395 1.601 20 10 CDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[O-] ZINC000230994404 367539768 /nfs/dbraw/zinc/53/97/68/367539768.db2.gz ALJZEBKHFIXTGK-GFCCVEGCSA-N 0 3 286.397 1.324 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H](CO)CCOC)c([O-])c1 ZINC000282184393 367763336 /nfs/dbraw/zinc/76/33/36/367763336.db2.gz KHIUVYXCVSBIGN-CYBMUJFWSA-N 0 3 283.368 1.668 20 10 CDCDHN Cc1ccc(O)c(CN[C@@H](C)C(=O)NCCF)c1 ZINC000282707221 368001694 /nfs/dbraw/zinc/00/16/94/368001694.db2.gz PHZLLEQWQOOYHK-JTQLQIEISA-N 0 3 254.305 1.264 20 10 CDCDHN COC[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000296604392 371442324 /nfs/dbraw/zinc/44/23/24/371442324.db2.gz XXZRNLOOFOXEQG-RYUDHWBXSA-N 0 3 251.326 1.631 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122738645 390906191 /nfs/dbraw/zinc/90/61/91/390906191.db2.gz AQOJXHLOMJCHSX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122738645 390906194 /nfs/dbraw/zinc/90/61/94/390906194.db2.gz AQOJXHLOMJCHSX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122738645 390906196 /nfs/dbraw/zinc/90/61/96/390906196.db2.gz AQOJXHLOMJCHSX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000176750806 391157694 /nfs/dbraw/zinc/15/76/94/391157694.db2.gz PSFYSYVPQHFIPV-ZDUSSCGKSA-N 0 3 253.367 1.658 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)NCCN(C)C)cc1 ZINC000179215345 391198590 /nfs/dbraw/zinc/19/85/90/391198590.db2.gz FATAYBCWQXXBHW-UHFFFAOYSA-N 0 3 292.427 1.894 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000179573211 391211887 /nfs/dbraw/zinc/21/18/87/391211887.db2.gz RAUSKJOTQFJKNG-ZDUSSCGKSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000179573211 391211891 /nfs/dbraw/zinc/21/18/91/391211891.db2.gz RAUSKJOTQFJKNG-ZDUSSCGKSA-N 0 3 251.326 1.366 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278512 391481865 /nfs/dbraw/zinc/48/18/65/391481865.db2.gz HKNBGAHIQMJJRL-NWDGAFQWSA-N 0 3 282.359 1.418 20 10 CDCDHN COc1ccc(N2CCCN(C(=O)[C@H](C)N)CC2)cc1 ZINC000165750987 391749810 /nfs/dbraw/zinc/74/98/10/391749810.db2.gz SNJPVWXPOOXZHS-LBPRGKRZSA-N 0 3 277.368 1.081 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060815 174071931 /nfs/dbraw/zinc/07/19/31/174071931.db2.gz XVFDLGQVYUCQPD-RYUDHWBXSA-N 0 3 251.326 1.767 20 10 CDCDHN CCN1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000154006878 261086701 /nfs/dbraw/zinc/08/67/01/261086701.db2.gz KKJJXYWYUSYOOR-ZDUSSCGKSA-N 0 3 292.379 1.631 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185467252 262305334 /nfs/dbraw/zinc/30/53/34/262305334.db2.gz KUIUMFHEWBPUMN-NHYWBVRUSA-N 0 3 283.368 1.839 20 10 CDCDHN Cn1cc(N2CC[C@@H](NCc3ccc4c(c3)CCO4)C2)cn1 ZINC000374247945 267768028 /nfs/dbraw/zinc/76/80/28/267768028.db2.gz SNBHNEYKJFKWTM-OAHLLOKOSA-N 0 3 298.390 1.724 20 10 CDCDHN C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296189304 278251699 /nfs/dbraw/zinc/25/16/99/278251699.db2.gz YKZMHUYHMBHEFV-WCQYABFASA-N 0 3 274.364 1.980 20 10 CDCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000297933946 278285649 /nfs/dbraw/zinc/28/56/49/278285649.db2.gz XVAWBPZJBLATDO-DZGCQCFKSA-N 0 3 289.423 1.605 20 10 CDCDHN CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000077458054 326923554 /nfs/dbraw/zinc/92/35/54/326923554.db2.gz QLPZILQWGLVOHX-OLZOCXBDSA-N 0 3 283.393 1.838 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1 ZINC000178712773 329202655 /nfs/dbraw/zinc/20/26/55/329202655.db2.gz GKWVDQVCCSHJSI-INIZCTEOSA-N 0 3 293.386 1.851 20 10 CDCDHN Cc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179726340 329208219 /nfs/dbraw/zinc/20/82/19/329208219.db2.gz AZQKDKSWORIKMA-CQSZACIVSA-N 0 3 274.364 1.944 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](CO)SC)c1 ZINC000224856968 329244805 /nfs/dbraw/zinc/24/48/05/329244805.db2.gz LPSUYZHFQSZJCF-RNCFNFMXSA-N 0 3 271.382 1.603 20 10 CDCDHN O=C1NCCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584389 329261660 /nfs/dbraw/zinc/26/16/60/329261660.db2.gz DVLROQNUOGMVHB-LLVKDONJSA-N 0 3 252.289 1.290 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)c(OC)c1 ZINC001141028143 1159572200 /nfs/dbraw/zinc/57/22/00/1159572200.db2.gz CMEGLZGCWNLWMG-HNNXBMFYSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)c(OC)c1 ZINC001141028143 1159572202 /nfs/dbraw/zinc/57/22/02/1159572202.db2.gz CMEGLZGCWNLWMG-HNNXBMFYSA-N 0 3 281.352 1.756 20 10 CDCDHN CC(C)[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236767011 519817397 /nfs/dbraw/zinc/81/73/97/519817397.db2.gz ZRMWUIWHVGDEIU-HNNXBMFYSA-N 0 3 276.380 1.871 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1[O-] ZINC000228099425 521346098 /nfs/dbraw/zinc/34/60/98/521346098.db2.gz GCXZCRCQGYOWSS-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c1[O-] ZINC000228099425 521346106 /nfs/dbraw/zinc/34/61/06/521346106.db2.gz GCXZCRCQGYOWSS-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN CCN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299529775 521574359 /nfs/dbraw/zinc/57/43/59/521574359.db2.gz RZIBALVYZYVLAV-UHFFFAOYSA-N 0 3 277.368 1.676 20 10 CDCDHN CCCN(CCC)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278434112 521650933 /nfs/dbraw/zinc/65/09/33/521650933.db2.gz UKMBZVLJMAZFLL-IRXDYDNUSA-N 0 3 292.423 1.850 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000289643562 521688356 /nfs/dbraw/zinc/68/83/56/521688356.db2.gz MKHVCQFNICJFFL-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038082794 524763176 /nfs/dbraw/zinc/76/31/76/524763176.db2.gz VKRHSWSHUKKKNW-MNOVXSKESA-N 0 3 299.392 1.486 20 10 CDCDHN C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855905 524816869 /nfs/dbraw/zinc/81/68/69/524816869.db2.gz TUMDIHNOWHXYML-ZDUSSCGKSA-N 0 3 275.396 1.983 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCOCC1 ZINC000728782954 574645858 /nfs/dbraw/zinc/64/58/58/574645858.db2.gz VATSWXUGUQLADG-UHFFFAOYSA-N 0 3 267.325 1.032 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@@H]1O ZINC000770378257 575474407 /nfs/dbraw/zinc/47/44/07/575474407.db2.gz HAEKQPARSQDECP-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@@H]1O ZINC000770378257 575474408 /nfs/dbraw/zinc/47/44/08/575474408.db2.gz HAEKQPARSQDECP-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN CN1CCN(c2ccc(CNCc3cc[nH]n3)cc2)CC1 ZINC000771829149 575622075 /nfs/dbraw/zinc/62/20/75/575622075.db2.gz HMZWPMVRTVYDRD-UHFFFAOYSA-N 0 3 285.395 1.451 20 10 CDCDHN CCN(C)c1ccc(CN2CCCN(C(N)=O)CC2)cc1 ZINC000773748747 575837467 /nfs/dbraw/zinc/83/74/67/575837467.db2.gz RGJAHZJHAXBBFN-UHFFFAOYSA-N 0 3 290.411 1.729 20 10 CDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CCC1 ZINC000773766663 575838416 /nfs/dbraw/zinc/83/84/16/575838416.db2.gz CVMPLCYGMNMWIQ-NSHDSACASA-N 0 3 292.379 1.629 20 10 CDCDHN CCN(CC)c1ccc(CN(C)CCOCCO)cc1 ZINC000739903216 576396227 /nfs/dbraw/zinc/39/62/27/576396227.db2.gz JQGUZBXIQYRZFM-UHFFFAOYSA-N 0 3 280.412 1.974 20 10 CDCDHN COCCOC[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000742377654 576599161 /nfs/dbraw/zinc/59/91/61/576599161.db2.gz XARNWPOMEQFXEU-GFCCVEGCSA-N 0 3 265.353 1.763 20 10 CDCDHN COC(=O)CCC(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000762785393 576671897 /nfs/dbraw/zinc/67/18/97/576671897.db2.gz HTVAQNBYTXPUEG-UHFFFAOYSA-N 0 3 295.335 1.942 20 10 CDCDHN Cc1cc(O)c(CNC[C@H](C)S(C)(=O)=O)cc1C ZINC000754084821 576878764 /nfs/dbraw/zinc/87/87/64/576878764.db2.gz CRUAWLUFTCINMK-NSHDSACASA-N 0 3 271.382 1.532 20 10 CDCDHN O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1[O-])CCC2 ZINC000748261835 576903366 /nfs/dbraw/zinc/90/33/66/576903366.db2.gz CGLSLNREWDNLIV-CABCVRRESA-N 0 3 286.375 1.734 20 10 CDCDHN O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc2c(cc1[O-])CCC2 ZINC000748261835 576903367 /nfs/dbraw/zinc/90/33/67/576903367.db2.gz CGLSLNREWDNLIV-CABCVRRESA-N 0 3 286.375 1.734 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756759992 577003396 /nfs/dbraw/zinc/00/33/96/577003396.db2.gz NAVIDBLQVSYGMK-MKBNYLNASA-N 0 3 294.395 1.771 20 10 CDCDHN COc1cccc(CN(C)CCNC(=O)N(C)C)c1O ZINC000757867455 577058382 /nfs/dbraw/zinc/05/83/82/577058382.db2.gz VENVDFNDNNNOMW-UHFFFAOYSA-N 0 3 281.356 1.104 20 10 CDCDHN COCCC[N@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000743640054 617853542 /nfs/dbraw/zinc/85/35/42/617853542.db2.gz ABSNDOONFISUJV-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN COCCC[N@@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000743640054 617853546 /nfs/dbraw/zinc/85/35/46/617853546.db2.gz ABSNDOONFISUJV-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN COCCCN(C)CCNC(=O)C1=CC(=O)CS1 ZINC000743640054 617853550 /nfs/dbraw/zinc/85/35/50/617853550.db2.gz ABSNDOONFISUJV-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822502952 618548345 /nfs/dbraw/zinc/54/83/45/618548345.db2.gz BIIUKJUPZZWMIW-GFCCVEGCSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822502952 618548355 /nfs/dbraw/zinc/54/83/55/618548355.db2.gz BIIUKJUPZZWMIW-GFCCVEGCSA-N 0 3 288.351 1.829 20 10 CDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N(C)C)cc2)C1(F)F ZINC000894160080 618638666 /nfs/dbraw/zinc/63/86/66/618638666.db2.gz KGRBLKIKMFSIAW-STQMWFEESA-N 0 3 298.333 1.897 20 10 CDCDHN C[NH2+]CCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841105059 618682926 /nfs/dbraw/zinc/68/29/26/618682926.db2.gz YMKYXMSUAFJTFA-UHFFFAOYSA-N 0 3 283.328 1.350 20 10 CDCDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(C)cc1[O-] ZINC000896616989 620167088 /nfs/dbraw/zinc/16/70/88/620167088.db2.gz HAODWQMJIAGWNE-HNNXBMFYSA-N 0 3 278.396 1.901 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001170512505 1162710646 /nfs/dbraw/zinc/71/06/46/1162710646.db2.gz PHGGEVOBMKPYPA-MWLCHTKSSA-N 0 3 265.309 1.529 20 10 CDCDHN CC[S@@](=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310229420 1159392923 /nfs/dbraw/zinc/39/29/23/1159392923.db2.gz GSLJYKZUQKZJTN-PIGZYNQJSA-N 0 3 253.367 1.738 20 10 CDCDHN C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794672469 1164533917 /nfs/dbraw/zinc/53/39/17/1164533917.db2.gz LAHJRNSLYOHTBY-ZBFHGGJFSA-N 0 3 293.363 1.555 20 10 CDCDHN C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794672469 1164533924 /nfs/dbraw/zinc/53/39/24/1164533924.db2.gz LAHJRNSLYOHTBY-ZBFHGGJFSA-N 0 3 293.363 1.555 20 10 CDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F ZINC000865712219 1164683901 /nfs/dbraw/zinc/68/39/01/1164683901.db2.gz YBMXLDKPVOVWLL-KSBSHMNSSA-N 0 3 293.241 1.522 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000228414085 1165594251 /nfs/dbraw/zinc/59/42/51/1165594251.db2.gz WFHKCMIFTCXHKX-CYBMUJFWSA-N 0 3 277.320 1.653 20 10 CDCDHN CC(C)OC[C@@H](CO)N(C)Cc1cc2c(cc1O)OCO2 ZINC000809768555 818061150 /nfs/dbraw/zinc/06/11/50/818061150.db2.gz OMUQAXCAKWQIDM-GFCCVEGCSA-N 0 3 297.351 1.339 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000876619312 818068174 /nfs/dbraw/zinc/06/81/74/818068174.db2.gz UCTSIZOVOLVRBB-AWEZNQCLSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000876619312 818068183 /nfs/dbraw/zinc/06/81/83/818068183.db2.gz UCTSIZOVOLVRBB-AWEZNQCLSA-N 0 3 276.380 1.607 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000877693629 818418706 /nfs/dbraw/zinc/41/87/06/818418706.db2.gz MKNNOIYURWYVOO-CPCISQLKSA-N 0 3 279.258 1.802 20 10 CDCDHN COc1ccc(CNC(=O)CN(C)CC(C)(C)C)c(O)c1 ZINC000822612790 818420263 /nfs/dbraw/zinc/42/02/63/818420263.db2.gz TYVYATWCKAMRJZ-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN CCOC1CC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808213545 818844171 /nfs/dbraw/zinc/84/41/71/818844171.db2.gz MVCQJGJBQBZPQH-KOHJWAIASA-N 0 3 293.363 1.817 20 10 CDCDHN CCOC1CC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808213545 818844176 /nfs/dbraw/zinc/84/41/76/818844176.db2.gz MVCQJGJBQBZPQH-KOHJWAIASA-N 0 3 293.363 1.817 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC2)N(C)C)cc1 ZINC000049504511 818872036 /nfs/dbraw/zinc/87/20/36/818872036.db2.gz AEZJKROUGNGCFO-HNNXBMFYSA-N 0 3 290.411 1.817 20 10 CDCDHN COc1cccc([C@H](C)NCC(=O)NCC(F)F)c1O ZINC000846167966 819280864 /nfs/dbraw/zinc/28/08/64/819280864.db2.gz PMNDGIAOFPXJHC-QMMMGPOBSA-N 0 3 288.294 1.433 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCn1cncn1 ZINC000381954586 819674925 /nfs/dbraw/zinc/67/49/25/819674925.db2.gz XJRZEAYHOLCCDT-UHFFFAOYSA-N 0 3 250.277 1.303 20 10 CDCDHN CC[C@@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000816660977 819861987 /nfs/dbraw/zinc/86/19/87/819861987.db2.gz XCMRSJXAPRPESB-GFCCVEGCSA-N 0 3 278.352 1.647 20 10 CDCDHN CC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180013022 820010347 /nfs/dbraw/zinc/01/03/47/820010347.db2.gz OVZHIGBDTUKQBV-UHFFFAOYSA-N 0 3 266.316 1.632 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000877467154 820025250 /nfs/dbraw/zinc/02/52/50/820025250.db2.gz XARBFBWGOBECKK-HUBLWGQQSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000877467154 820025259 /nfs/dbraw/zinc/02/52/59/820025259.db2.gz XARBFBWGOBECKK-HUBLWGQQSA-N 0 3 274.364 1.786 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877460597 820066619 /nfs/dbraw/zinc/06/66/19/820066619.db2.gz WKYXLGCUYYLSEX-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877460597 820066630 /nfs/dbraw/zinc/06/66/30/820066630.db2.gz WKYXLGCUYYLSEX-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1[O-] ZINC000710878888 820397389 /nfs/dbraw/zinc/39/73/89/820397389.db2.gz OFBVVFMKTFNWAU-OUCADQQQSA-N 0 3 251.326 1.583 20 10 CDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000827812273 820561061 /nfs/dbraw/zinc/56/10/61/820561061.db2.gz IBRNUAVJZZWFDD-MGCOHNPYSA-N 0 3 265.309 1.442 20 10 CDCDHN Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000848563895 821036699 /nfs/dbraw/zinc/03/66/99/821036699.db2.gz YQSYFAFCKARMIU-RYUDHWBXSA-N 0 3 284.363 1.655 20 10 CDCDHN Nc1nc(N)nc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000858347349 821225026 /nfs/dbraw/zinc/22/50/26/821225026.db2.gz WKGDCWVORZCASE-UHFFFAOYSA-N 0 3 285.355 1.248 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](N)C(C)C)c1 ZINC000817958426 821605014 /nfs/dbraw/zinc/60/50/14/821605014.db2.gz JMQJQNYXACZMDN-ZWNOBZJWSA-N 0 3 280.368 1.813 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877460598 821656262 /nfs/dbraw/zinc/65/62/62/821656262.db2.gz WKYXLGCUYYLSEX-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877460598 821656342 /nfs/dbraw/zinc/65/63/42/821656342.db2.gz WKYXLGCUYYLSEX-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN C[C@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775655254 821857975 /nfs/dbraw/zinc/85/79/75/821857975.db2.gz XBFVYRQPKBBPSG-HNNXBMFYSA-N 0 3 289.423 1.659 20 10 CDCDHN CCS(=O)(=O)NCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876991765 821894612 /nfs/dbraw/zinc/89/46/12/821894612.db2.gz ULBJHZVJZMYLLV-UHFFFAOYSA-N 0 3 286.397 1.120 20 10 CDCDHN CCCCN(Cc1ccccc1O)c1nc(N)nc(N)n1 ZINC000858532120 822032006 /nfs/dbraw/zinc/03/20/06/822032006.db2.gz GZQQRPAIKHOKHL-UHFFFAOYSA-N 0 3 288.355 1.548 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(OC)c(C)c1 ZINC000825196414 822163952 /nfs/dbraw/zinc/16/39/52/822163952.db2.gz GDUUKTBEFUJUOA-UKRRQHHQSA-N 0 3 265.353 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000876892529 822359545 /nfs/dbraw/zinc/35/95/45/822359545.db2.gz QZQJQPSWXONNCO-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN COc1ccc(C[NH2+]C[C@]2(OC)CCOC2)c([O-])c1 ZINC000122919450 822373550 /nfs/dbraw/zinc/37/35/50/822373550.db2.gz YOVJQLRYNJLLQF-CQSZACIVSA-N 0 3 267.325 1.296 20 10 CDCDHN COC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000827929140 822580630 /nfs/dbraw/zinc/58/06/30/822580630.db2.gz GKUVRMDCFVLDMO-UHFFFAOYSA-N 0 3 282.315 1.852 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(F)ccc1[O-] ZINC000817984172 822581247 /nfs/dbraw/zinc/58/12/47/822581247.db2.gz VRSXNSNVKIMKKC-MWLCHTKSSA-N 0 3 254.305 1.170 20 10 CDCDHN CCc1cccc(CN2CCN3CCOC[C@H]3C2)c1O ZINC000848902006 822604610 /nfs/dbraw/zinc/60/46/10/822604610.db2.gz IPAQOQPANCZUBY-OAHLLOKOSA-N 0 3 276.380 1.471 20 10 CDCDHN O=[N+]([O-])c1cc(Cl)cc(CNC2CC[NH2+]CC2)c1[O-] ZINC000841026694 822616357 /nfs/dbraw/zinc/61/63/57/822616357.db2.gz PIEASTKCNOOYJL-UHFFFAOYSA-N 0 3 285.731 1.795 20 10 CDCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCNCC2)c1[O-] ZINC000841026694 822616359 /nfs/dbraw/zinc/61/63/59/822616359.db2.gz PIEASTKCNOOYJL-UHFFFAOYSA-N 0 3 285.731 1.795 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052047 822618183 /nfs/dbraw/zinc/61/81/83/822618183.db2.gz PAGJPOKFCZGIDL-MWLCHTKSSA-N 0 3 295.339 1.478 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312416412 899813303 /nfs/dbraw/zinc/81/33/03/899813303.db2.gz SMJHOJIEKQKFQA-CQSZACIVSA-N 0 3 295.814 1.525 20 10 CDCDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001206403656 916005096 /nfs/dbraw/zinc/00/50/96/916005096.db2.gz JBFGNBFPLADKOE-GHMZBOCLSA-N 0 3 258.724 1.917 20 10 CDCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140058462 936674828 /nfs/dbraw/zinc/67/48/28/936674828.db2.gz AYTWHSRMIZUNHX-GAJTVXKRSA-N 0 3 251.301 1.998 20 10 CDCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140058462 936674830 /nfs/dbraw/zinc/67/48/30/936674830.db2.gz AYTWHSRMIZUNHX-GAJTVXKRSA-N 0 3 251.301 1.998 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(OC)c1 ZINC001141032219 936795537 /nfs/dbraw/zinc/79/55/37/936795537.db2.gz WLNLTJYKTYMBBC-QWRGUYRKSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2[C@@H](C)CC[C@H]2CO)c(OC)c1 ZINC001141032219 936795539 /nfs/dbraw/zinc/79/55/39/936795539.db2.gz WLNLTJYKTYMBBC-QWRGUYRKSA-N 0 3 281.352 1.755 20 10 CDCDHN Oc1ccc(O)c(CN2CCC[C@H](n3cncn3)C2)c1 ZINC001141160286 936822149 /nfs/dbraw/zinc/82/21/49/936822149.db2.gz VLYBAVDLCKEESL-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN COc1cc(C(=O)N[C@]2(C)CCCN(C)C2)cc(O)c1O ZINC001193119668 923463858 /nfs/dbraw/zinc/46/38/58/923463858.db2.gz KEMZHTATNYEOII-OAHLLOKOSA-N 0 3 294.351 1.321 20 10 CDCDHN COCCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000839539356 936914636 /nfs/dbraw/zinc/91/46/36/936914636.db2.gz KZHZYGFUPRUKMJ-NSHDSACASA-N 0 3 296.367 1.204 20 10 CDCDHN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1[O-] ZINC000783521436 937274709 /nfs/dbraw/zinc/27/47/09/937274709.db2.gz XZWYSFLDZSYQTR-JTQLQIEISA-N 0 3 271.320 1.737 20 10 CDCDHN CN(C)c1cc(F)c(CNCC(C)(C)O)cc1F ZINC000858133733 928811724 /nfs/dbraw/zinc/81/17/24/928811724.db2.gz WLUYKOFYANDJQU-UHFFFAOYSA-N 0 3 258.312 1.891 20 10 CDCDHN Nc1nc(N)nc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000858366956 928848559 /nfs/dbraw/zinc/84/85/59/928848559.db2.gz FZWRIEQCKZHHSR-UHFFFAOYSA-N 0 3 299.382 1.638 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858546950 928884425 /nfs/dbraw/zinc/88/44/25/928884425.db2.gz BJFPSVWJTNVURJ-LOWVWBTDSA-N 0 3 294.370 1.736 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)C[C@H](C)[NH3+])c1[O-] ZINC000863565172 929570709 /nfs/dbraw/zinc/57/07/09/929570709.db2.gz BCUIEKYMPNBAOL-QMMMGPOBSA-N 0 3 254.305 1.513 20 10 CDCDHN CN(Cc1cnn(C)c1)Cc1c(O)cc(O)cc1O ZINC001144499856 931858894 /nfs/dbraw/zinc/85/88/94/931858894.db2.gz MHQTWDCMPBWQJM-UHFFFAOYSA-N 0 3 263.297 1.169 20 10 CDCDHN COc1ccc(CNCc2cc(C)nn2C)c(O)c1 ZINC000688953672 934757099 /nfs/dbraw/zinc/75/70/99/934757099.db2.gz FRXMWRZRHCSNRM-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cc(C)nn2C)c([O-])c1 ZINC000688953672 934757100 /nfs/dbraw/zinc/75/71/00/934757100.db2.gz FRXMWRZRHCSNRM-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN Cc1cccc(CNc2ncc3c(n2)CCNC3)c1O ZINC001160765044 938825408 /nfs/dbraw/zinc/82/54/08/938825408.db2.gz QSZILWOLUDFADD-UHFFFAOYSA-N 0 3 270.336 1.748 20 10 CDCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC001203561569 939693457 /nfs/dbraw/zinc/69/34/57/939693457.db2.gz WGKKHHLWMJBDOE-CQSZACIVSA-N 0 3 274.364 1.883 20 10 CDCDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC001203561569 939693459 /nfs/dbraw/zinc/69/34/59/939693459.db2.gz WGKKHHLWMJBDOE-CQSZACIVSA-N 0 3 274.364 1.883 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc(O)c(O)c2)C[C@]1(C)O ZINC001203875501 939710386 /nfs/dbraw/zinc/71/03/86/939710386.db2.gz NXSZPGFHCRAXAP-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN O=c1ccc2c([nH]1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203880761 939711575 /nfs/dbraw/zinc/71/15/75/939711575.db2.gz YUXGUIUGLPIZGD-UHFFFAOYSA-N 0 3 286.331 1.799 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](F)[C@H](O)C2)cc1 ZINC001203929980 939714455 /nfs/dbraw/zinc/71/44/55/939714455.db2.gz MKZLOAONYNDZHS-ZIAGYGMSSA-N 0 3 252.333 1.657 20 10 CDCDHN Oc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001204274999 939750243 /nfs/dbraw/zinc/75/02/43/939750243.db2.gz KRMZJASKHKTFFX-OAHLLOKOSA-N 0 3 292.379 1.394 20 10 CDCDHN C[C@]1(O)COCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324577 939755776 /nfs/dbraw/zinc/75/57/76/939755776.db2.gz NGAZLBFOLUJGBJ-QGZVFWFLSA-N 0 3 290.407 1.870 20 10 CDCDHN NC[C@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674045 939915454 /nfs/dbraw/zinc/91/54/54/939915454.db2.gz YBIYYNIKECYOTR-CQSZACIVSA-N 0 3 268.332 1.207 20 10 CDCDHN NC[C@]1(O)CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674045 939915457 /nfs/dbraw/zinc/91/54/57/939915457.db2.gz YBIYYNIKECYOTR-CQSZACIVSA-N 0 3 268.332 1.207 20 10 CDCDHN N[C@@]1(C(F)(F)F)CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001206238696 940003252 /nfs/dbraw/zinc/00/32/52/940003252.db2.gz VEHBQEIJWKEDRU-NSHDSACASA-N 0 3 292.257 1.269 20 10 CDCDHN CN(C)C(=O)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277193057 942157166 /nfs/dbraw/zinc/15/71/66/942157166.db2.gz XOISVVFYCWAYFY-UHFFFAOYSA-N 0 3 276.336 1.198 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](O)[C@@H](C)C1 ZINC001231849432 943028871 /nfs/dbraw/zinc/02/88/71/943028871.db2.gz SONNNBYAQQXPEZ-SWLSCSKDSA-N 0 3 278.396 1.964 20 10 CDCDHN CC(C)(C)c1ccc(O)c(CN2CC(C(N)=O)C2)c1 ZINC001233286583 943531490 /nfs/dbraw/zinc/53/14/90/943531490.db2.gz ZRWAJMLWZLIDHN-UHFFFAOYSA-N 0 3 262.353 1.607 20 10 CDCDHN CCN1CCN(c2ccc(O[C@H](C)CON)cc2)CC1 ZINC001234662357 943933786 /nfs/dbraw/zinc/93/37/86/943933786.db2.gz ZMSYWWCWWQVGCR-CYBMUJFWSA-N 0 3 279.384 1.486 20 10 CDCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@@H](O)CO ZINC001235684524 944245299 /nfs/dbraw/zinc/24/52/99/944245299.db2.gz YDTFPQBMSWUJHM-CYBMUJFWSA-N 0 3 267.369 1.475 20 10 CDCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@@H](O)CO ZINC001235684524 944245306 /nfs/dbraw/zinc/24/53/06/944245306.db2.gz YDTFPQBMSWUJHM-CYBMUJFWSA-N 0 3 267.369 1.475 20 10 CDCDHN [NH3+][C@@]12CC[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001235990653 944355552 /nfs/dbraw/zinc/35/55/52/944355552.db2.gz KLSVDTCGSWCFDV-TVQRCGJNSA-N 0 3 252.745 1.969 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c([O-])cccc1Cl ZINC001236199593 944429015 /nfs/dbraw/zinc/42/90/15/944429015.db2.gz PLTJKIKOZBMSBE-KWQFWETISA-N 0 3 284.743 1.120 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236286139 944444846 /nfs/dbraw/zinc/44/48/46/944444846.db2.gz LCSSOTAIVVECLV-GZMMTYOYSA-N 0 3 283.169 1.558 20 10 CDCDHN CCc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c([O-])c1 ZINC001236792366 944571628 /nfs/dbraw/zinc/57/16/28/944571628.db2.gz QDYFKFJDLAZXHF-NHAGDIPZSA-N 0 3 275.348 1.805 20 10 CDCDHN CCc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c([O-])c1 ZINC001236792366 944571634 /nfs/dbraw/zinc/57/16/34/944571634.db2.gz QDYFKFJDLAZXHF-NHAGDIPZSA-N 0 3 275.348 1.805 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1c(C)cc(OC)cc1O ZINC001236816755 944578915 /nfs/dbraw/zinc/57/89/15/944578915.db2.gz WFAQISMBKDWXDB-AWEZNQCLSA-N 0 3 292.379 1.810 20 10 CDCDHN COc1cc(C)c(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001236814866 944579369 /nfs/dbraw/zinc/57/93/69/944579369.db2.gz XKKCSCRRDZCGKC-UHFFFAOYSA-N 0 3 276.380 1.989 20 10 CDCDHN CCN1CCN(Cc2cc(OC)cc(OC)c2O)[C@H](C)C1 ZINC001237676517 944919509 /nfs/dbraw/zinc/91/95/09/944919509.db2.gz JWXRQAVTONZKFU-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001249178951 949442676 /nfs/dbraw/zinc/44/26/76/949442676.db2.gz WRKBCMYVJGSWPQ-ZDUSSCGKSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001249178951 949442691 /nfs/dbraw/zinc/44/26/91/949442691.db2.gz WRKBCMYVJGSWPQ-ZDUSSCGKSA-N 0 3 279.336 1.064 20 10 CDCDHN CC(C)(C)OC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253460533 951916817 /nfs/dbraw/zinc/91/68/17/951916817.db2.gz XGHITFLOHBWTCL-CYBMUJFWSA-N 0 3 279.380 1.926 20 10 CDCDHN CC(C)(C)OC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253460533 951916820 /nfs/dbraw/zinc/91/68/20/951916820.db2.gz XGHITFLOHBWTCL-CYBMUJFWSA-N 0 3 279.380 1.926 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CN2CCC1CC2 ZINC001339142814 962198866 /nfs/dbraw/zinc/19/88/66/962198866.db2.gz VAHFESCKZAXVLF-OHVSUOQFSA-N 0 3 288.347 1.321 20 10 CDCDHN CC[C@]1(C(=O)NCc2c([O-])cccc2F)CC[NH2+]C1 ZINC001342538128 963760718 /nfs/dbraw/zinc/76/07/18/963760718.db2.gz XCPMFMCOFJSUCF-AWEZNQCLSA-N 0 3 266.316 1.537 20 10 CDCDHN CC(C)[NH2+]CCC(=O)NCc1c([O-])cccc1F ZINC001342537963 963760728 /nfs/dbraw/zinc/76/07/28/963760728.db2.gz UXQNFGCPPNHGLI-UHFFFAOYSA-N 0 3 254.305 1.536 20 10 CDCDHN C[C@H]1CCN(CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791515 967874583 /nfs/dbraw/zinc/87/45/83/967874583.db2.gz IMRVJWBUXLXIGU-JTQLQIEISA-N 0 3 264.325 1.056 20 10 CDCDHN CC(C)CC[C@@H](N)C(=O)NCc1cccc(O)c1O ZINC001575560731 1171203662 /nfs/dbraw/zinc/20/36/62/1171203662.db2.gz MQAKTJBEBFCWBK-LLVKDONJSA-N 0 3 266.341 1.478 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCOC2)cc1OC ZINC000180341869 357263833 /nfs/dbraw/zinc/26/38/33/357263833.db2.gz YGUQOTNYLXFDIY-LLVKDONJSA-N 0 3 281.352 1.926 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282379900 364088185 /nfs/dbraw/zinc/08/81/85/364088185.db2.gz OIPZBDOENLKUPB-KRWDZBQOSA-N 0 3 253.367 1.701 20 10 CDCDHN CNC(=O)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269051948 364130669 /nfs/dbraw/zinc/13/06/69/364130669.db2.gz WCEFGQOXBCVMSN-JTQLQIEISA-N 0 3 267.348 1.506 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271122292 364934027 /nfs/dbraw/zinc/93/40/27/364934027.db2.gz YJFOVIWOBZGHRZ-JTQLQIEISA-N 0 3 295.335 1.404 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c1[O-] ZINC000271265161 364979373 /nfs/dbraw/zinc/97/93/73/364979373.db2.gz IEENQVKFWGZWJY-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)c1[O-] ZINC000271265161 364979378 /nfs/dbraw/zinc/97/93/78/364979378.db2.gz IEENQVKFWGZWJY-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1O ZINC000272028141 365052249 /nfs/dbraw/zinc/05/22/49/365052249.db2.gz YFOJQEQJGZDGNF-HZMBPMFUSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1O ZINC000272028141 365052254 /nfs/dbraw/zinc/05/22/54/365052254.db2.gz YFOJQEQJGZDGNF-HZMBPMFUSA-N 0 3 251.326 1.604 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1C ZINC000273710894 365518967 /nfs/dbraw/zinc/51/89/67/365518967.db2.gz KOZKTRKWHUJMKM-LLVKDONJSA-N 0 3 291.351 1.211 20 10 CDCDHN CCCN(Cc1ccccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000282842882 368064566 /nfs/dbraw/zinc/06/45/66/368064566.db2.gz CSZQNDNHXMPEHF-LBPRGKRZSA-N 0 3 276.336 1.362 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036933248 260053146 /nfs/dbraw/zinc/05/31/46/260053146.db2.gz DWJRVQMBGSEXHD-CHWSQXEVSA-N 0 3 264.369 1.764 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000272395335 413043924 /nfs/dbraw/zinc/04/39/24/413043924.db2.gz JLJZEZZRZCNSGJ-ZDUSSCGKSA-N 0 3 268.332 1.342 20 10 CDCDHN CSC[C@@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000217857737 391029805 /nfs/dbraw/zinc/02/98/05/391029805.db2.gz BTDNNMWGMDSIFK-AWEZNQCLSA-N 0 3 267.394 1.825 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(O)c(O)c1)N(CC)CC ZINC000269095675 391238840 /nfs/dbraw/zinc/23/88/40/391238840.db2.gz MRFOEUVXYSYUKF-GFCCVEGCSA-N 0 3 280.368 1.834 20 10 CDCDHN CCOCC[N@H+](CC)Cc1cc2c(cc1[O-])OCO2 ZINC000107668416 391773527 /nfs/dbraw/zinc/77/35/27/391773527.db2.gz AHSROGMKSOJBQJ-UHFFFAOYSA-N 0 3 267.325 1.979 20 10 CDCDHN CCOCC[N@@H+](CC)Cc1cc2c(cc1[O-])OCO2 ZINC000107668416 391773532 /nfs/dbraw/zinc/77/35/32/391773532.db2.gz AHSROGMKSOJBQJ-UHFFFAOYSA-N 0 3 267.325 1.979 20 10 CDCDHN CCOCCN(CC)Cc1cc2c(cc1O)OCO2 ZINC000107668416 391773535 /nfs/dbraw/zinc/77/35/35/391773535.db2.gz AHSROGMKSOJBQJ-UHFFFAOYSA-N 0 3 267.325 1.979 20 10 CDCDHN Cc1cc(O)c(CN(CC(N)=O)C(C)C)cc1C ZINC000161666638 261256102 /nfs/dbraw/zinc/25/61/02/261256102.db2.gz HHZPHIBGOLQKPK-UHFFFAOYSA-N 0 3 250.342 1.705 20 10 CDCDHN CCC[N@H+](CC)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182545956 261942677 /nfs/dbraw/zinc/94/26/77/261942677.db2.gz SKWXSGCOTIKZJL-UHFFFAOYSA-N 0 3 280.368 1.868 20 10 CDCDHN CCC[N@@H+](CC)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182545956 261942679 /nfs/dbraw/zinc/94/26/79/261942679.db2.gz SKWXSGCOTIKZJL-UHFFFAOYSA-N 0 3 280.368 1.868 20 10 CDCDHN CCOCc1cc(CN[C@]2(CO)CCOC2)ccc1OC ZINC000184182832 262012092 /nfs/dbraw/zinc/01/20/92/262012092.db2.gz NECALEZHUOOXQJ-INIZCTEOSA-N 0 3 295.379 1.473 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000367704027 267111321 /nfs/dbraw/zinc/11/13/21/267111321.db2.gz ONHNPHLXBFGANZ-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000367704027 267111322 /nfs/dbraw/zinc/11/13/22/267111322.db2.gz ONHNPHLXBFGANZ-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COC[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000075594752 277561298 /nfs/dbraw/zinc/56/12/98/277561298.db2.gz VWORAGPKVPBEOC-CYBMUJFWSA-N 0 3 264.369 1.852 20 10 CDCDHN CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186811784 327854761 /nfs/dbraw/zinc/85/47/61/327854761.db2.gz FFDVKASIQJMROV-VIFPVBQESA-N 0 3 254.305 1.660 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281122083 328238711 /nfs/dbraw/zinc/23/87/11/328238711.db2.gz CCQZLBOOHLYJSR-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281122083 328238713 /nfs/dbraw/zinc/23/87/13/328238713.db2.gz CCQZLBOOHLYJSR-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN COCCOC[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093755235 327199921 /nfs/dbraw/zinc/19/99/21/327199921.db2.gz JJZROHSAYVRNPN-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093755235 327199922 /nfs/dbraw/zinc/19/99/22/327199922.db2.gz JJZROHSAYVRNPN-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN CCn1nncc1CN[C@H](C)c1cc(F)ccc1O ZINC000527921282 330295837 /nfs/dbraw/zinc/29/58/37/330295837.db2.gz WEURCFPMRQTUKW-SECBINFHSA-N 0 3 264.304 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(CNC(C)=O)CC2)c1 ZINC000224467510 333221162 /nfs/dbraw/zinc/22/11/62/333221162.db2.gz NQZRNDPJCOFVLR-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN O=C(CCC[NH2+]Cc1cc(F)ccc1[O-])NC1CC1 ZINC000226584859 333265427 /nfs/dbraw/zinc/26/54/27/333265427.db2.gz MPWLLEMCOPSARK-UHFFFAOYSA-N 0 3 266.316 1.680 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000227976294 333292145 /nfs/dbraw/zinc/29/21/45/333292145.db2.gz RVROYRDVFVEVSJ-IAQYHMDHSA-N 0 3 281.352 1.420 20 10 CDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000292489689 519796226 /nfs/dbraw/zinc/79/62/26/519796226.db2.gz ODRLWWYQSSLBCY-CYBMUJFWSA-N 0 3 267.348 1.491 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1F ZINC000366346798 522203653 /nfs/dbraw/zinc/20/36/53/522203653.db2.gz MOQNOPBSARWWDD-AWEZNQCLSA-N 0 3 283.322 1.210 20 10 CDCDHN CCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000160415005 522345128 /nfs/dbraw/zinc/34/51/28/522345128.db2.gz YAIHUSUUQNGEOP-VIFPVBQESA-N 0 3 276.340 1.932 20 10 CDCDHN COC[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281004005 522686709 /nfs/dbraw/zinc/68/67/09/522686709.db2.gz NTPMXMZAVHRNPH-RISCZKNCSA-N 0 3 279.380 1.929 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@H](C)O)cc1OC ZINC000130792284 522770139 /nfs/dbraw/zinc/77/01/39/522770139.db2.gz DONBZXGMKJNOEB-VIFPVBQESA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@H](C)O)cc1OC ZINC000130792284 522770147 /nfs/dbraw/zinc/77/01/47/522770147.db2.gz DONBZXGMKJNOEB-VIFPVBQESA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@H](C)O)cc1OC ZINC000130792284 522770150 /nfs/dbraw/zinc/77/01/50/522770150.db2.gz DONBZXGMKJNOEB-VIFPVBQESA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1OC ZINC000279426878 522781965 /nfs/dbraw/zinc/78/19/65/522781965.db2.gz NUQHWTBVRMFIIR-MEBBXXQBSA-N 0 3 297.351 1.039 20 10 CDCDHN CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1[O-] ZINC000289612156 522834197 /nfs/dbraw/zinc/83/41/97/522834197.db2.gz DCYNGZSAAZHRBL-CQSZACIVSA-N 0 3 290.367 1.607 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1C ZINC000280388006 525323178 /nfs/dbraw/zinc/32/31/78/525323178.db2.gz WLPGFEFYWBJDRN-ZFWWWQNUSA-N 0 3 279.380 1.744 20 10 CDCDHN CCOCC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000769785335 575384012 /nfs/dbraw/zinc/38/40/12/575384012.db2.gz AIJPVHBMQKCKLZ-RYUDHWBXSA-N 0 3 283.368 1.839 20 10 CDCDHN CCOc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1 ZINC000768533930 575131854 /nfs/dbraw/zinc/13/18/54/575131854.db2.gz VWCOQUARDZLGNC-UHFFFAOYSA-N 0 3 280.368 1.734 20 10 CDCDHN CN(C)c1ccc(CN2CCC(OCCO)CC2)cc1F ZINC000769537552 575357871 /nfs/dbraw/zinc/35/78/71/575357871.db2.gz LZXPCJVQHAPQOH-UHFFFAOYSA-N 0 3 296.386 1.865 20 10 CDCDHN C[N@H+](CCCO)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000765251883 576002154 /nfs/dbraw/zinc/00/21/54/576002154.db2.gz KJFFPPWPEMKNKU-UHFFFAOYSA-N 0 3 298.408 1.373 20 10 CDCDHN C[N@@H+](CCCO)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000765251883 576002157 /nfs/dbraw/zinc/00/21/57/576002157.db2.gz KJFFPPWPEMKNKU-UHFFFAOYSA-N 0 3 298.408 1.373 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](CCCO)C1CC1 ZINC000769405239 576352102 /nfs/dbraw/zinc/35/21/02/576352102.db2.gz QUAVOIRQKFAGRW-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](CCCO)C1CC1 ZINC000769405239 576352103 /nfs/dbraw/zinc/35/21/03/576352103.db2.gz QUAVOIRQKFAGRW-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1cccc(OC)c1O ZINC000757926459 577061121 /nfs/dbraw/zinc/06/11/21/577061121.db2.gz LUDWAFUVHBCUGM-HNNXBMFYSA-N 0 3 297.351 1.459 20 10 CDCDHN CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891947881 617815170 /nfs/dbraw/zinc/81/51/70/617815170.db2.gz MEFVPYDQRUCYRV-CQSZACIVSA-N 0 3 278.400 1.674 20 10 CDCDHN CCN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000135720057 618072157 /nfs/dbraw/zinc/07/21/57/618072157.db2.gz BNIIWMBFZVHVMG-LLVKDONJSA-N 0 3 250.342 1.911 20 10 CDCDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N(C)C)cc2)C1(F)F ZINC000894160072 618638852 /nfs/dbraw/zinc/63/88/52/618638852.db2.gz KGRBLKIKMFSIAW-CHWSQXEVSA-N 0 3 298.333 1.897 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@H](C)C[S@@](C)=O)c1O ZINC000894453300 618894239 /nfs/dbraw/zinc/89/42/39/618894239.db2.gz OCNSUYCMGNAMMT-NSPYISDASA-N 0 3 285.409 1.908 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384915 620080859 /nfs/dbraw/zinc/08/08/59/620080859.db2.gz BLGLNALTGLNIIW-SNVBAGLBSA-N 0 3 267.300 1.726 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384915 620080860 /nfs/dbraw/zinc/08/08/60/620080860.db2.gz BLGLNALTGLNIIW-SNVBAGLBSA-N 0 3 267.300 1.726 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000897684231 621072472 /nfs/dbraw/zinc/07/24/72/621072472.db2.gz LKFJZRRRAGGMSV-QMTHXVAHSA-N 0 3 252.333 1.704 20 10 CDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)cc1O ZINC000910951833 629115487 /nfs/dbraw/zinc/11/54/87/629115487.db2.gz WAIDOGAVHIQWLH-GHMZBOCLSA-N 0 3 278.352 1.587 20 10 CDCDHN [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@]2(C(=O)[O-])C1 ZINC001608265886 1164473159 /nfs/dbraw/zinc/47/31/59/1164473159.db2.gz CONCYDRCTOJBOZ-NVBFEUDRSA-N 0 3 294.326 1.155 20 10 CDCDHN [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@]2(C(=O)[O-])C1 ZINC001608265886 1164473163 /nfs/dbraw/zinc/47/31/63/1164473163.db2.gz CONCYDRCTOJBOZ-NVBFEUDRSA-N 0 3 294.326 1.155 20 10 CDCDHN [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126657600 1175483023 /nfs/dbraw/zinc/48/30/23/1175483023.db2.gz UIDQBBAOVPDJJS-NXEZZACHSA-N 0 3 250.298 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000840959036 823713831 /nfs/dbraw/zinc/71/38/31/823713831.db2.gz XESKGOCLTFCUQO-NSHDSACASA-N 0 3 278.352 1.311 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000840959036 823713856 /nfs/dbraw/zinc/71/38/56/823713856.db2.gz XESKGOCLTFCUQO-NSHDSACASA-N 0 3 278.352 1.311 20 10 CDCDHN COc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826995117 823846863 /nfs/dbraw/zinc/84/68/63/823846863.db2.gz QSOYWVNIOOJUFI-LBPRGKRZSA-N 0 3 292.335 1.427 20 10 CDCDHN C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000927083101 824133645 /nfs/dbraw/zinc/13/36/45/824133645.db2.gz DRYVCYSETSYAMK-VXGBXAGGSA-N 0 3 251.326 1.848 20 10 CDCDHN Cc1cccc(CNCc2ccnc(N(C)C)n2)c1O ZINC000779432583 824237481 /nfs/dbraw/zinc/23/74/81/824237481.db2.gz WASXVKJPEHQBTR-UHFFFAOYSA-N 0 3 272.352 1.846 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CN(C)CCO1 ZINC000783518220 824240117 /nfs/dbraw/zinc/24/01/17/824240117.db2.gz KBIQTDFWIBNHSG-ZOWXZIJZSA-N 0 3 264.369 1.762 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000135719543 824325536 /nfs/dbraw/zinc/32/55/36/824325536.db2.gz GBSAZEPEPGHATL-LLVKDONJSA-N 0 3 250.342 1.815 20 10 CDCDHN C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790562976 824404951 /nfs/dbraw/zinc/40/49/51/824404951.db2.gz RVRULNGLWCRTQK-NSHDSACASA-N 0 3 264.325 1.168 20 10 CDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004331 824974239 /nfs/dbraw/zinc/97/42/39/824974239.db2.gz FNXUSCQMJOMQML-CYBMUJFWSA-N 0 3 297.349 1.886 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c([O-])c1 ZINC000777222052 825290712 /nfs/dbraw/zinc/29/07/12/825290712.db2.gz PWWCUKOWFLSGSX-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)c([O-])c1 ZINC000777222052 825290718 /nfs/dbraw/zinc/29/07/18/825290718.db2.gz PWWCUKOWFLSGSX-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000809768646 825408143 /nfs/dbraw/zinc/40/81/43/825408143.db2.gz RPDMGOXESLOVBR-ZDUSSCGKSA-N 0 3 271.332 1.749 20 10 CDCDHN CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000809768646 825408151 /nfs/dbraw/zinc/40/81/51/825408151.db2.gz RPDMGOXESLOVBR-ZDUSSCGKSA-N 0 3 271.332 1.749 20 10 CDCDHN CC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748966 825780996 /nfs/dbraw/zinc/78/09/96/825780996.db2.gz UBMGSBVINUZHNE-DOMZBBRYSA-N 0 3 291.395 1.375 20 10 CDCDHN CC(=O)c1cc(F)cc(Cn2cc([C@@H](C)N)nn2)c1O ZINC000880995957 825864763 /nfs/dbraw/zinc/86/47/63/825864763.db2.gz JUOSHAGHFZVSAR-SSDOTTSWSA-N 0 3 278.287 1.393 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000775396957 825901161 /nfs/dbraw/zinc/90/11/61/825901161.db2.gz YZCJGNYTJJBBAG-CYBMUJFWSA-N 0 3 298.452 1.974 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000877072967 826019759 /nfs/dbraw/zinc/01/97/59/826019759.db2.gz ZMKAYEBSKJMXIZ-AWEZNQCLSA-N 0 3 261.325 1.257 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(O)c1O ZINC000780907793 826043235 /nfs/dbraw/zinc/04/32/35/826043235.db2.gz XCRBJGLHPFPDPF-SNVBAGLBSA-N 0 3 276.336 1.373 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000879647430 826347028 /nfs/dbraw/zinc/34/70/28/826347028.db2.gz CBDIZOSZZAIRNA-SNVBAGLBSA-N 0 3 293.367 1.667 20 10 CDCDHN Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000848563894 826362675 /nfs/dbraw/zinc/36/26/75/826362675.db2.gz YQSYFAFCKARMIU-NWDGAFQWSA-N 0 3 284.363 1.655 20 10 CDCDHN [NH3+]C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000841029651 826766951 /nfs/dbraw/zinc/76/69/51/826766951.db2.gz XKVVBNMYTGNZSI-JTQLQIEISA-N 0 3 285.731 1.781 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000779192949 826800956 /nfs/dbraw/zinc/80/09/56/826800956.db2.gz RHBGJSIWQLBMLN-GFCCVEGCSA-N 0 3 261.300 1.832 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](C)O)c1[O-] ZINC000228674645 826814863 /nfs/dbraw/zinc/81/48/63/826814863.db2.gz WDCIHWVGVKEEIC-QMMMGPOBSA-N 0 3 259.733 1.915 20 10 CDCDHN CN(CCN1CCCC1=O)Cc1cc(F)ccc1O ZINC000779021280 826846323 /nfs/dbraw/zinc/84/63/23/826846323.db2.gz ZDWIGKNPNUTMAL-UHFFFAOYSA-N 0 3 266.316 1.586 20 10 CDCDHN C[N@H+](CCN1CCCC1=O)Cc1cc(F)ccc1[O-] ZINC000779021280 826846324 /nfs/dbraw/zinc/84/63/24/826846324.db2.gz ZDWIGKNPNUTMAL-UHFFFAOYSA-N 0 3 266.316 1.586 20 10 CDCDHN C[N@@H+](CCN1CCCC1=O)Cc1cc(F)ccc1[O-] ZINC000779021280 826846325 /nfs/dbraw/zinc/84/63/25/826846325.db2.gz ZDWIGKNPNUTMAL-UHFFFAOYSA-N 0 3 266.316 1.586 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922938244 827036519 /nfs/dbraw/zinc/03/65/19/827036519.db2.gz BPIZQQZLPLVQMF-LLVKDONJSA-N 0 3 267.325 1.296 20 10 CDCDHN OC[C@@H](CC(F)F)NCc1ccc2c(c1)CCO2 ZINC000717745422 827039112 /nfs/dbraw/zinc/03/91/12/827039112.db2.gz QIVPMWGGUWRPDN-LLVKDONJSA-N 0 3 257.280 1.727 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876898331 827842071 /nfs/dbraw/zinc/84/20/71/827842071.db2.gz KUJHIOZNUIDVIG-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN CCN1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000824887093 827872743 /nfs/dbraw/zinc/87/27/43/827872743.db2.gz PSTRRQALPBOHBY-GFCCVEGCSA-N 0 3 279.359 1.602 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCC(=O)N(C)C ZINC000876982340 828000809 /nfs/dbraw/zinc/00/08/09/828000809.db2.gz YSAGCEXDYHAHLB-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN C[C@H]1COCCCN1Cc1cc2c(cc1O)OCO2 ZINC000398948055 828046158 /nfs/dbraw/zinc/04/61/58/828046158.db2.gz QMEIWCQKASNFDZ-JTQLQIEISA-N 0 3 265.309 1.732 20 10 CDCDHN C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccccc1[O-] ZINC000721875413 828156019 /nfs/dbraw/zinc/15/60/19/828156019.db2.gz VRQCVAIAOVMOJH-LBPRGKRZSA-N 0 3 298.408 1.468 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000228935066 828320586 /nfs/dbraw/zinc/32/05/86/828320586.db2.gz PLLKTTWNOPOGLO-SECBINFHSA-N 0 3 280.324 1.124 20 10 CDCDHN Cc1ccc(C)c(CN2CCN([C@@H]3CCOC3)CC2)c1O ZINC001140178582 895202003 /nfs/dbraw/zinc/20/20/03/895202003.db2.gz PJPHHLPORLHUOQ-OAHLLOKOSA-N 0 3 290.407 1.916 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000715731135 921187360 /nfs/dbraw/zinc/18/73/60/921187360.db2.gz KMSOYEDBKNLRAS-LBPRGKRZSA-N 0 3 279.336 1.873 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027177 911136812 /nfs/dbraw/zinc/13/68/12/911136812.db2.gz VIDRWLAEBWLMDK-AWEZNQCLSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027177 911136823 /nfs/dbraw/zinc/13/68/23/911136823.db2.gz VIDRWLAEBWLMDK-AWEZNQCLSA-N 0 3 274.364 1.977 20 10 CDCDHN Cc1cccc(CN2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001231591277 911786676 /nfs/dbraw/zinc/78/66/76/911786676.db2.gz YYEPAQRVORYOMI-DGCLKSJQSA-N 0 3 253.317 1.853 20 10 CDCDHN CCOCC[NH+](CCOCC)Cc1ccc(O)cc1[O-] ZINC001204278590 916582085 /nfs/dbraw/zinc/58/20/85/916582085.db2.gz GCPKPMGIKKABGN-UHFFFAOYSA-N 0 3 283.368 1.973 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001238064075 917787888 /nfs/dbraw/zinc/78/78/88/917787888.db2.gz NWCYHHPSZAEASZ-WCQYABFASA-N 0 3 269.316 1.015 20 10 CDCDHN CCN1CCN(c2ccc(CN3CC(O)C3)cc2)CC1 ZINC001140299798 936699321 /nfs/dbraw/zinc/69/93/21/936699321.db2.gz GDAAMQDLVQBYAZ-UHFFFAOYSA-N 0 3 275.396 1.005 20 10 CDCDHN CCN1CCN(c2ccc(CN(C)C3COC3)cc2)CC1 ZINC001140304444 936699609 /nfs/dbraw/zinc/69/96/09/936699609.db2.gz PWPUQUALPZYSTD-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001140952338 936783645 /nfs/dbraw/zinc/78/36/45/936783645.db2.gz NSZGAKIJOFOCNG-MRXNPFEDSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001140952338 936783646 /nfs/dbraw/zinc/78/36/46/936783646.db2.gz NSZGAKIJOFOCNG-MRXNPFEDSA-N 0 3 274.364 1.803 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001203880264 925168509 /nfs/dbraw/zinc/16/85/09/925168509.db2.gz NCDPNYUKXASIFZ-XQQFMLRXSA-N 0 3 291.347 1.871 20 10 CDCDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC001119649358 925459539 /nfs/dbraw/zinc/45/95/39/925459539.db2.gz XIRBXMZOWHYEFO-AWEZNQCLSA-N 0 3 292.379 1.979 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410718 928025005 /nfs/dbraw/zinc/02/50/05/928025005.db2.gz PAZAGBLAPALHMJ-HIFRSBDPSA-N 0 3 293.363 1.935 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410718 928025019 /nfs/dbraw/zinc/02/50/19/928025019.db2.gz PAZAGBLAPALHMJ-HIFRSBDPSA-N 0 3 293.363 1.935 20 10 CDCDHN CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001169449240 928041668 /nfs/dbraw/zinc/04/16/68/928041668.db2.gz QEKMZJVTTDXIOG-LLVKDONJSA-N 0 3 280.368 1.834 20 10 CDCDHN CC1(C)COCCN1Cc1c(O)cc(O)cc1O ZINC001144509567 931875646 /nfs/dbraw/zinc/87/56/46/931875646.db2.gz ZPSLAQZDGKBRTQ-UHFFFAOYSA-N 0 3 253.298 1.414 20 10 CDCDHN C[NH+](C)CC(C)(C)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589585 932753628 /nfs/dbraw/zinc/75/36/28/932753628.db2.gz CRDFXRGRFXPXRP-UHFFFAOYSA-N 0 3 282.340 1.121 20 10 CDCDHN CC(=O)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001203555640 939692633 /nfs/dbraw/zinc/69/26/33/939692633.db2.gz FYRDMKKZRHIAOO-UHFFFAOYSA-N 0 3 260.337 1.446 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001203621555 939697453 /nfs/dbraw/zinc/69/74/53/939697453.db2.gz XCXZSBIKHQKWMC-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001203621555 939697455 /nfs/dbraw/zinc/69/74/55/939697455.db2.gz XCXZSBIKHQKWMC-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCN(Cc1ccc(OC)cc1O)C1CN(C)C1 ZINC001203634539 939698747 /nfs/dbraw/zinc/69/87/47/939698747.db2.gz KWQYFZFGIUIKHY-UHFFFAOYSA-N 0 3 250.342 1.537 20 10 CDCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H]1CO ZINC001204276733 939751774 /nfs/dbraw/zinc/75/17/74/939751774.db2.gz PROCRQDLNUJGGL-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@@H]1CO ZINC001204276733 939751772 /nfs/dbraw/zinc/75/17/72/939751772.db2.gz PROCRQDLNUJGGL-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204281438 939752344 /nfs/dbraw/zinc/75/23/44/939752344.db2.gz FEUIHFHSYJEBHI-SMDDNHRTSA-N 0 3 290.363 1.541 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204281438 939752345 /nfs/dbraw/zinc/75/23/45/939752345.db2.gz FEUIHFHSYJEBHI-SMDDNHRTSA-N 0 3 290.363 1.541 20 10 CDCDHN C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205281670 939876136 /nfs/dbraw/zinc/87/61/36/939876136.db2.gz XMZBEPFLUDUXKB-OAHLLOKOSA-N 0 3 278.352 1.794 20 10 CDCDHN C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205281670 939876138 /nfs/dbraw/zinc/87/61/38/939876138.db2.gz XMZBEPFLUDUXKB-OAHLLOKOSA-N 0 3 278.352 1.794 20 10 CDCDHN COc1ccc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c([O-])c1 ZINC001277456864 942622663 /nfs/dbraw/zinc/62/26/63/942622663.db2.gz INOYCNJBHVYGFV-UHFFFAOYSA-N 0 3 290.363 1.501 20 10 CDCDHN Oc1cc(CN2CCN(C3CCC3)CC2)cc(O)c1O ZINC001233009808 943460193 /nfs/dbraw/zinc/46/01/93/943460193.db2.gz BYYKMTXTODGZHR-UHFFFAOYSA-N 0 3 278.352 1.474 20 10 CDCDHN C[C@@H]1C[C@@H](O)CCN1Cc1cc(O)c(O)cc1O ZINC001233485928 943594396 /nfs/dbraw/zinc/59/43/96/943594396.db2.gz QLWFPBSRNSYAFN-SCZZXKLOSA-N 0 3 253.298 1.149 20 10 CDCDHN C[C@H]([NH2+]C1CC1)C(=O)NCc1c([O-])cccc1F ZINC001263199989 943784824 /nfs/dbraw/zinc/78/48/24/943784824.db2.gz WVSOLKZDMFMCAJ-QMMMGPOBSA-N 0 3 252.289 1.288 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001237485373 944811314 /nfs/dbraw/zinc/81/13/14/944811314.db2.gz OVJAENCVHHNOQJ-OAHLLOKOSA-N 0 3 260.337 1.413 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001237485373 944811318 /nfs/dbraw/zinc/81/13/18/944811318.db2.gz OVJAENCVHHNOQJ-OAHLLOKOSA-N 0 3 260.337 1.413 20 10 CDCDHN CC1(CNCc2ccc3c(c2)CCCO3)OCCO1 ZINC001332314744 957514919 /nfs/dbraw/zinc/51/49/19/957514919.db2.gz KOSXIYUGTCTARS-UHFFFAOYSA-N 0 3 263.337 1.864 20 10 CDCDHN CN(CC(=O)NCc1cccc(O)c1O)C1CCC1 ZINC001347542460 965579759 /nfs/dbraw/zinc/57/97/59/965579759.db2.gz MTYUWZITKDNNKH-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000179637424 357216706 /nfs/dbraw/zinc/21/67/06/357216706.db2.gz YWWVCKBMVLNCJZ-ZDUSSCGKSA-N 0 3 278.352 1.453 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179950678 357232484 /nfs/dbraw/zinc/23/24/84/357232484.db2.gz AAOIVTMISBZNLW-OAHLLOKOSA-N 0 3 294.370 1.828 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179950678 357232486 /nfs/dbraw/zinc/23/24/86/357232486.db2.gz AAOIVTMISBZNLW-OAHLLOKOSA-N 0 3 294.370 1.828 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2(C(=O)OC)CC2)c1[O-] ZINC000188680598 357925904 /nfs/dbraw/zinc/92/59/04/357925904.db2.gz JTNGUXQPXIBHKP-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)C1(N)Cc2ccccc2C1 ZINC000364245099 358117056 /nfs/dbraw/zinc/11/70/56/358117056.db2.gz HGXFAUDIOBHPOI-UHFFFAOYSA-N 0 3 296.370 1.847 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226589385 359703102 /nfs/dbraw/zinc/70/31/02/359703102.db2.gz QJPUYOUROJHPAL-UHFFFAOYSA-N 0 3 256.321 1.199 20 10 CDCDHN COC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000230672278 360338444 /nfs/dbraw/zinc/33/84/44/360338444.db2.gz UAXGCNQWTMEHAN-ONGXEEELSA-N 0 3 257.305 1.843 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccccc1[O-] ZINC000530227799 361495141 /nfs/dbraw/zinc/49/51/41/361495141.db2.gz VWEMXEUIVAHANG-AAEUAGOBSA-N 0 3 250.342 1.421 20 10 CDCDHN Cc1nccnc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000293585987 370700380 /nfs/dbraw/zinc/70/03/80/370700380.db2.gz IDGJUNKTKDVJDG-UHFFFAOYSA-N 0 3 261.300 1.962 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000293760361 370784978 /nfs/dbraw/zinc/78/49/78/370784978.db2.gz XQVAQOAAMWWUFU-ZDUSSCGKSA-N 0 3 268.332 1.782 20 10 CDCDHN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1[O-] ZINC000293800266 370803715 /nfs/dbraw/zinc/80/37/15/370803715.db2.gz UXXOFYIPRPIBJG-LLVKDONJSA-N 0 3 260.341 1.804 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272559707 365294052 /nfs/dbraw/zinc/29/40/52/365294052.db2.gz SXBRBXPLXZECGC-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272559707 365294058 /nfs/dbraw/zinc/29/40/58/365294058.db2.gz SXBRBXPLXZECGC-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN CN(C)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000281662385 367670541 /nfs/dbraw/zinc/67/05/41/367670541.db2.gz JAEABZKXCYDMPA-FNORWQNLSA-N 0 3 290.363 1.712 20 10 CDCDHN Cc1ccc(O)c(CN[C@H](C)C(=O)NCCF)c1 ZINC000282707223 368000772 /nfs/dbraw/zinc/00/07/72/368000772.db2.gz PHZLLEQWQOOYHK-SNVBAGLBSA-N 0 3 254.305 1.264 20 10 CDCDHN COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)c(OC)c1 ZINC000289332648 369545411 /nfs/dbraw/zinc/54/54/11/369545411.db2.gz HWLHWQLOJIRSEL-CYBMUJFWSA-N 0 3 294.395 1.595 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296540047 378737568 /nfs/dbraw/zinc/73/75/68/378737568.db2.gz QWZBSWOEURSSRN-WDEREUQCSA-N 0 3 286.397 1.371 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(F)CCNC1 ZINC000370798107 390516377 /nfs/dbraw/zinc/51/63/77/390516377.db2.gz IMIKEQRZKILTFI-ZDUSSCGKSA-N 0 3 252.289 1.052 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC000121153439 390881288 /nfs/dbraw/zinc/88/12/88/390881288.db2.gz PHXLMTYYBAXGQO-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC000121153439 390881289 /nfs/dbraw/zinc/88/12/89/390881289.db2.gz PHXLMTYYBAXGQO-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361050 390901738 /nfs/dbraw/zinc/90/17/38/390901738.db2.gz ZQCVVQONVROWEN-GFCCVEGCSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361050 390901741 /nfs/dbraw/zinc/90/17/41/390901741.db2.gz ZQCVVQONVROWEN-GFCCVEGCSA-N 0 3 278.352 1.359 20 10 CDCDHN CC(C)N1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000296840446 391061915 /nfs/dbraw/zinc/06/19/15/391061915.db2.gz MYAKHTLQNMFXHD-OLZOCXBDSA-N 0 3 274.364 1.978 20 10 CDCDHN C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000174854126 391128336 /nfs/dbraw/zinc/12/83/36/391128336.db2.gz QVLDOMCUFPJCHD-UHFFFAOYSA-N 0 3 276.296 1.629 20 10 CDCDHN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000174854126 391128338 /nfs/dbraw/zinc/12/83/38/391128338.db2.gz QVLDOMCUFPJCHD-UHFFFAOYSA-N 0 3 276.296 1.629 20 10 CDCDHN CC(C)OCCN1CCN(Cc2ccccc2O)CC1 ZINC000179578371 391213234 /nfs/dbraw/zinc/21/32/34/391213234.db2.gz SPXRNZLSVAQLQZ-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449853 391264163 /nfs/dbraw/zinc/26/41/63/391264163.db2.gz DSPBYJLREITICV-SECBINFHSA-N 0 3 268.744 1.661 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449853 391264169 /nfs/dbraw/zinc/26/41/69/391264169.db2.gz DSPBYJLREITICV-SECBINFHSA-N 0 3 268.744 1.661 20 10 CDCDHN CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)N(C)C ZINC000236711071 391270497 /nfs/dbraw/zinc/27/04/97/391270497.db2.gz JMANELFPCHATST-AWEZNQCLSA-N 0 3 263.385 1.514 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674555 391344415 /nfs/dbraw/zinc/34/44/15/391344415.db2.gz LVPQLTGFFHQNIK-XPTSAGLGSA-N 0 3 262.353 1.623 20 10 CDCDHN Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674555 391344418 /nfs/dbraw/zinc/34/44/18/391344418.db2.gz LVPQLTGFFHQNIK-XPTSAGLGSA-N 0 3 262.353 1.623 20 10 CDCDHN CCOc1cccc(CN[C@H]2CC(=O)N(C)C2)c1O ZINC000072313434 176368378 /nfs/dbraw/zinc/36/83/78/176368378.db2.gz XKWCXMFPLSKWFD-NSHDSACASA-N 0 3 264.325 1.111 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCc3c[nH]nc3C1)OCO2 ZINC000363938819 262043599 /nfs/dbraw/zinc/04/35/99/262043599.db2.gz QBINAXSRSAEBIO-NSHDSACASA-N 0 3 287.319 1.491 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000280900059 328236908 /nfs/dbraw/zinc/23/69/08/328236908.db2.gz PROYVQQRHZGBOH-TUAOUCFPSA-N 0 3 283.343 1.827 20 10 CDCDHN COc1ccc(CNC[C@H]2COCCN2)cc1C ZINC000258809697 326879312 /nfs/dbraw/zinc/87/93/12/326879312.db2.gz BKPDBLQNPJFHKS-ZDUSSCGKSA-N 0 3 250.342 1.082 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000224856834 329244917 /nfs/dbraw/zinc/24/49/17/329244917.db2.gz LPSUYZHFQSZJCF-TVQRCGJNSA-N 0 3 271.382 1.603 20 10 CDCDHN COc1cccc(CNCC(=O)NCC(C)C)c1O ZINC000134638702 1175820417 /nfs/dbraw/zinc/82/04/17/1175820417.db2.gz HDQQGRBZFMUORI-UHFFFAOYSA-N 0 3 266.341 1.263 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1OC ZINC000274847857 520428392 /nfs/dbraw/zinc/42/83/92/520428392.db2.gz ATWGTJDAUXKUNH-IACUBPJLSA-N 0 3 269.316 1.813 20 10 CDCDHN CC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)COC1 ZINC000083523117 520734314 /nfs/dbraw/zinc/73/43/14/520734314.db2.gz IHBXRCSCWCYHIC-UHFFFAOYSA-N 0 3 251.282 1.247 20 10 CDCDHN CNS(=O)(=O)CCN[C@H](C)c1ccc(C)c(C)c1O ZINC000275897313 522208622 /nfs/dbraw/zinc/20/86/22/522208622.db2.gz MOYFLTWNRKGTQG-LLVKDONJSA-N 0 3 286.397 1.209 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(C)cc1[O-] ZINC000291885047 522684659 /nfs/dbraw/zinc/68/46/59/522684659.db2.gz JXTWQHDIVQKJJO-JQWIXIFHSA-N 0 3 250.342 1.876 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000274878200 522853158 /nfs/dbraw/zinc/85/31/58/522853158.db2.gz HANRRHPEPQRAKC-UKRRQHHQSA-N 0 3 275.352 1.900 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618131 523608176 /nfs/dbraw/zinc/60/81/76/523608176.db2.gz MBWQKLDCERATDH-NSHDSACASA-N 0 3 270.348 1.760 20 10 CDCDHN COc1ccc(O)c(CN(C)[C@@H](C)CN2CCOCC2)c1 ZINC000279352461 524734082 /nfs/dbraw/zinc/73/40/82/524734082.db2.gz GGXTWTPSHLIQIS-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279352461 524734087 /nfs/dbraw/zinc/73/40/87/524734087.db2.gz GGXTWTPSHLIQIS-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279352461 524734091 /nfs/dbraw/zinc/73/40/91/524734091.db2.gz GGXTWTPSHLIQIS-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000279833231 524752917 /nfs/dbraw/zinc/75/29/17/524752917.db2.gz QLTXQNKDKXHMKW-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000227965280 525348729 /nfs/dbraw/zinc/34/87/29/525348729.db2.gz JYZSUHVGTPFEIC-BXUZGUMPSA-N 0 3 251.326 1.330 20 10 CDCDHN CSCC[C@@H](N)C(=O)NCc1ccccc1O ZINC000083399601 525545145 /nfs/dbraw/zinc/54/51/45/525545145.db2.gz RGFJMZSFWHGKES-SNVBAGLBSA-N 0 3 254.355 1.089 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000769524316 575356697 /nfs/dbraw/zinc/35/66/97/575356697.db2.gz LHXGWJQYSZIFEU-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000769524316 575356699 /nfs/dbraw/zinc/35/66/99/575356699.db2.gz LHXGWJQYSZIFEU-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c([O-])c1 ZINC000765795039 576056778 /nfs/dbraw/zinc/05/67/78/576056778.db2.gz GVSRTPXKVMCVAZ-ZIAGYGMSSA-N 0 3 292.379 1.795 20 10 CDCDHN C[N@H+](CCn1cccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446345 576284098 /nfs/dbraw/zinc/28/40/98/576284098.db2.gz JRINDTKPCXCNLX-AWEZNQCLSA-N 0 3 289.335 1.147 20 10 CDCDHN C[N@@H+](CCn1cccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446345 576284100 /nfs/dbraw/zinc/28/41/00/576284100.db2.gz JRINDTKPCXCNLX-AWEZNQCLSA-N 0 3 289.335 1.147 20 10 CDCDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464735 576286599 /nfs/dbraw/zinc/28/65/99/576286599.db2.gz SWWZERAQXNWLFI-ZWNOBZJWSA-N 0 3 265.309 1.039 20 10 CDCDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464735 576286601 /nfs/dbraw/zinc/28/66/01/576286601.db2.gz SWWZERAQXNWLFI-ZWNOBZJWSA-N 0 3 265.309 1.039 20 10 CDCDHN C[C@@H]1COCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465947 576288064 /nfs/dbraw/zinc/28/80/64/576288064.db2.gz UEPULPRSCUDMFS-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@@H]1COCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465947 576288065 /nfs/dbraw/zinc/28/80/65/576288065.db2.gz UEPULPRSCUDMFS-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000744449913 576681422 /nfs/dbraw/zinc/68/14/22/576681422.db2.gz HZHRTKKKFCNYRY-GFCCVEGCSA-N 0 3 264.369 1.832 20 10 CDCDHN Nc1ccc(CC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000746296117 576769764 /nfs/dbraw/zinc/76/97/64/576769764.db2.gz WMYVTMAHLICWRO-UHFFFAOYSA-N 0 3 296.374 1.555 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1C1CC1 ZINC000753926759 576866313 /nfs/dbraw/zinc/86/63/13/576866313.db2.gz UFYZFBXUSOKODL-WCQYABFASA-N 0 3 289.379 1.817 20 10 CDCDHN CCOc1ccc(O)c(CNC[C@H](C)S(C)(=O)=O)c1 ZINC000754084807 576878744 /nfs/dbraw/zinc/87/87/44/576878744.db2.gz CHIYFERPCRDGRU-JTQLQIEISA-N 0 3 287.381 1.314 20 10 CDCDHN COc1cccc(O)c1CN[C@H]1CCCS(=O)(=O)C1 ZINC000754890327 576921117 /nfs/dbraw/zinc/92/11/17/576921117.db2.gz QYEFFWMGMCZGJE-JTQLQIEISA-N 0 3 285.365 1.068 20 10 CDCDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)c(O)c1OC ZINC000893669271 617819038 /nfs/dbraw/zinc/81/90/38/617819038.db2.gz LSPGNJZXLQRISI-VXGBXAGGSA-N 0 3 294.395 1.934 20 10 CDCDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000922589372 618274298 /nfs/dbraw/zinc/27/42/98/618274298.db2.gz KDWHJTWCSPAISE-AWEZNQCLSA-N 0 3 264.369 1.593 20 10 CDCDHN COC(=O)c1c(CNCCCO)c2cc(F)ccc2n1C ZINC000894145363 618626605 /nfs/dbraw/zinc/62/66/05/618626605.db2.gz AYUGVZRPXMLJDS-UHFFFAOYSA-N 0 3 294.326 1.576 20 10 CDCDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N(C)C)cc2)C1(F)F ZINC000894160075 618638740 /nfs/dbraw/zinc/63/87/40/618638740.db2.gz KGRBLKIKMFSIAW-OLZOCXBDSA-N 0 3 298.333 1.897 20 10 CDCDHN COC[C@@]1(CNCc2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000841066599 618680235 /nfs/dbraw/zinc/68/02/35/618680235.db2.gz DDVCDBHGRBZFLT-AWEZNQCLSA-N 0 3 284.787 1.904 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000157780589 630611965 /nfs/dbraw/zinc/61/19/65/630611965.db2.gz AIRBVYRSFBGIEZ-GFCCVEGCSA-N 0 3 263.385 1.755 20 10 CDCDHN CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000151545441 630693888 /nfs/dbraw/zinc/69/38/88/630693888.db2.gz VVPBQCRJXXCFNT-GXFFZTMASA-N 0 3 280.368 1.918 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311780996 1186691563 /nfs/dbraw/zinc/69/15/63/1186691563.db2.gz YLQOZRRGEAUFIM-GFCCVEGCSA-N 0 3 262.353 1.741 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877003028 833167759 /nfs/dbraw/zinc/16/77/59/833167759.db2.gz JHOYMJVYQYSOCI-LBPRGKRZSA-N 0 3 272.352 1.705 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1 ZINC000876735782 833326960 /nfs/dbraw/zinc/32/69/60/833326960.db2.gz HTZQODPUWXBQME-GFCCVEGCSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000780786230 833335125 /nfs/dbraw/zinc/33/51/25/833335125.db2.gz JIOMIBGGQDTUGV-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000780786230 833335128 /nfs/dbraw/zinc/33/51/28/833335128.db2.gz JIOMIBGGQDTUGV-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN CCc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000709453361 828984006 /nfs/dbraw/zinc/98/40/06/828984006.db2.gz CHRUNABUCGCAKK-LBPRGKRZSA-N 0 3 269.366 1.231 20 10 CDCDHN C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074941 833357891 /nfs/dbraw/zinc/35/78/91/833357891.db2.gz ODLXTGBPYOOFBQ-FZMZJTMJSA-N 0 3 261.369 1.634 20 10 CDCDHN CN1C[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCC1=O ZINC000862428984 829862243 /nfs/dbraw/zinc/86/22/43/829862243.db2.gz YZDXXZYRVQDXKD-GFCCVEGCSA-N 0 3 266.316 1.584 20 10 CDCDHN CN1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCC1=O ZINC000862428984 829862248 /nfs/dbraw/zinc/86/22/48/829862248.db2.gz YZDXXZYRVQDXKD-GFCCVEGCSA-N 0 3 266.316 1.584 20 10 CDCDHN C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000927079491 830787192 /nfs/dbraw/zinc/78/71/92/830787192.db2.gz FEBCAMZLTRRVFO-CMPLNLGQSA-N 0 3 269.316 1.987 20 10 CDCDHN CC[C@H](N)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980840 832314118 /nfs/dbraw/zinc/31/41/18/832314118.db2.gz XJJFXCJPBDAUGP-ONGXEEELSA-N 0 3 266.341 1.567 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2C)c1[O-] ZINC000843347803 832317714 /nfs/dbraw/zinc/31/77/14/832317714.db2.gz OFOAUKRHSROBPO-SECBINFHSA-N 0 3 266.316 1.528 20 10 CDCDHN Cc1ccc(C[NH2+]C2(CO)CCOCC2)c([O-])c1 ZINC000877036565 833825563 /nfs/dbraw/zinc/82/55/63/833825563.db2.gz GJZHLCRKSOTJBZ-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000788532979 832385368 /nfs/dbraw/zinc/38/53/68/832385368.db2.gz BFWXJCPDVFSVGC-XHDPSFHLSA-N 0 3 281.352 1.420 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000866684443 832857613 /nfs/dbraw/zinc/85/76/13/832857613.db2.gz YVFBBWXHCXSFBF-UFBFGSQYSA-N 0 3 266.316 1.655 20 10 CDCDHN CC(C)(C)[NH2+]CCNC(=O)c1cccc(O)c1[O-] ZINC000187115987 832880094 /nfs/dbraw/zinc/88/00/94/832880094.db2.gz PFUOBHDRPVCVDX-UHFFFAOYSA-N 0 3 252.314 1.216 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000724897082 832906874 /nfs/dbraw/zinc/90/68/74/832906874.db2.gz OMKKQLKZBBWSRG-ZKYQVNSYSA-N 0 3 251.326 1.847 20 10 CDCDHN CCCN(CCN(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779516189 832932750 /nfs/dbraw/zinc/93/27/50/832932750.db2.gz VLCBZGSKKXZCBW-VURMDHGXSA-N 0 3 292.379 1.911 20 10 CDCDHN COCC1(O)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876750402 833614476 /nfs/dbraw/zinc/61/44/76/833614476.db2.gz SPCLMSAAJYMQSA-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000717696524 834233672 /nfs/dbraw/zinc/23/36/72/834233672.db2.gz LKMFGZMWJYBUSA-VIFPVBQESA-N 0 3 267.222 1.934 20 10 CDCDHN CCOc1ccc(O)c(CN2CCCN(C=O)CC2)c1 ZINC000827877263 834298658 /nfs/dbraw/zinc/29/86/58/834298658.db2.gz KROLZIUANZXXGN-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN Cc1ccc(C[N@@H+](C)C2(CO)CCOCC2)c([O-])c1 ZINC000877644701 835180001 /nfs/dbraw/zinc/18/00/01/835180001.db2.gz QTKWBTRVDXCUCI-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc(C[N@H+](C)C2(CO)CCOCC2)c([O-])c1 ZINC000877644701 835180036 /nfs/dbraw/zinc/18/00/36/835180036.db2.gz QTKWBTRVDXCUCI-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c([O-])c1 ZINC000877493154 835300122 /nfs/dbraw/zinc/30/01/22/835300122.db2.gz HICZICCLEVNJDM-AAEUAGOBSA-N 0 3 292.379 1.938 20 10 CDCDHN Cc1ccc(C[NH2+]CCCC(=O)N(C)C)c([O-])c1 ZINC000876979873 835494043 /nfs/dbraw/zinc/49/40/43/835494043.db2.gz SCNBSUMUSSZNFN-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN COc1cccc(O)c1CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883403213 835512906 /nfs/dbraw/zinc/51/29/06/835512906.db2.gz MXMKYZDHKLOPLG-LBPRGKRZSA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000883403213 835512909 /nfs/dbraw/zinc/51/29/09/835512909.db2.gz MXMKYZDHKLOPLG-LBPRGKRZSA-N 0 3 290.363 1.501 20 10 CDCDHN C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074939 835545142 /nfs/dbraw/zinc/54/51/42/835545142.db2.gz ODLXTGBPYOOFBQ-SMDDNHRTSA-N 0 3 261.369 1.634 20 10 CDCDHN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000854649845 835627723 /nfs/dbraw/zinc/62/77/23/835627723.db2.gz HKWSWQCSWKZNKN-WPRPVWTQSA-N 0 3 254.355 1.618 20 10 CDCDHN CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795748615 835636085 /nfs/dbraw/zinc/63/60/85/835636085.db2.gz DAKNYLGHUHZPMR-TVQRCGJNSA-N 0 3 267.325 1.285 20 10 CDCDHN CO[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795748615 835636086 /nfs/dbraw/zinc/63/60/86/835636086.db2.gz DAKNYLGHUHZPMR-TVQRCGJNSA-N 0 3 267.325 1.285 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163299 911544019 /nfs/dbraw/zinc/54/40/19/911544019.db2.gz BKYJJIYBQUHALP-ZYHUDNBSSA-N 0 3 256.296 1.793 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163299 911544026 /nfs/dbraw/zinc/54/40/26/911544026.db2.gz BKYJJIYBQUHALP-ZYHUDNBSSA-N 0 3 256.296 1.793 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001140057821 936675137 /nfs/dbraw/zinc/67/51/37/936675137.db2.gz OSEWGJCHSBQNPO-ZDUSSCGKSA-N 0 3 281.327 1.647 20 10 CDCDHN COC(=O)N1CCCN(Cc2ccc(C)cc2O)CC1 ZINC001140947688 936782517 /nfs/dbraw/zinc/78/25/17/936782517.db2.gz ATTQTMRYSHVZTC-UHFFFAOYSA-N 0 3 278.352 1.975 20 10 CDCDHN Oc1cc(O)c(CN2CCc3cccnc3C2)c(O)c1 ZINC001144515422 931879764 /nfs/dbraw/zinc/87/97/64/931879764.db2.gz OCKZFOGOAQHDNO-UHFFFAOYSA-N 0 3 272.304 1.757 20 10 CDCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)CN ZINC001157431959 938491412 /nfs/dbraw/zinc/49/14/12/938491412.db2.gz CCHWXBBQWQZNFU-FZMZJTMJSA-N 0 3 291.395 1.035 20 10 CDCDHN N[C@H]1CN(Cc2cccc(F)c2O)CCC1(F)F ZINC001206668134 938704204 /nfs/dbraw/zinc/70/42/04/938704204.db2.gz PEOUOEJMEUWZNY-JTQLQIEISA-N 0 3 260.259 1.700 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001203620997 939697283 /nfs/dbraw/zinc/69/72/83/939697283.db2.gz MVRSDOZEDGKFRB-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001203620997 939697284 /nfs/dbraw/zinc/69/72/84/939697284.db2.gz MVRSDOZEDGKFRB-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[NH+]2CC([C@H](C)OC)C2)c([O-])c1 ZINC001203634859 939699118 /nfs/dbraw/zinc/69/91/18/939699118.db2.gz YQDDVFTYHZJUHK-JTQLQIEISA-N 0 3 251.326 1.868 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001203670980 939700480 /nfs/dbraw/zinc/70/04/80/939700480.db2.gz HHMAMJPMZZQGJM-YPMHNXCESA-N 0 3 285.290 1.867 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001203884619 939711843 /nfs/dbraw/zinc/71/18/43/939711843.db2.gz WAKVMDSYERDLAA-ONGXEEELSA-N 0 3 265.309 1.339 20 10 CDCDHN CN1CCC2(CN(Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001204329361 939756591 /nfs/dbraw/zinc/75/65/91/939756591.db2.gz NZCAZUPVKQVPFE-UHFFFAOYSA-N 0 3 299.418 1.951 20 10 CDCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](O)CO ZINC001231587305 942936949 /nfs/dbraw/zinc/93/69/49/942936949.db2.gz UDQPIJGKCARIRX-GFCCVEGCSA-N 0 3 261.321 1.330 20 10 CDCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](O)CO ZINC001231587305 942936954 /nfs/dbraw/zinc/93/69/54/942936954.db2.gz UDQPIJGKCARIRX-GFCCVEGCSA-N 0 3 261.321 1.330 20 10 CDCDHN Cc1cc(C)c(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001231846182 943026244 /nfs/dbraw/zinc/02/62/44/943026244.db2.gz HOAIWFVGYKYHNE-CQSZACIVSA-N 0 3 290.407 1.914 20 10 CDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303546 943823137 /nfs/dbraw/zinc/82/31/37/943823137.db2.gz ACMXVNCVGDJXQZ-XJKSGUPXSA-N 0 3 291.395 1.418 20 10 CDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(C(C)C)cc1O ZINC001236058630 944395361 /nfs/dbraw/zinc/39/53/61/944395361.db2.gz RZBPUPDNVBJMAK-AWEZNQCLSA-N 0 3 292.379 1.462 20 10 CDCDHN CN1CCN(c2ccc(CN3CC=CC3)c(F)c2)CC1 ZINC001236931281 944618051 /nfs/dbraw/zinc/61/80/51/944618051.db2.gz IQBOUCVANDTDSI-UHFFFAOYSA-N 0 3 275.371 1.949 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001237049836 944647461 /nfs/dbraw/zinc/64/74/61/944647461.db2.gz LSWLRMNHOOJQNU-MRXNPFEDSA-N 0 3 290.363 1.503 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001237049836 944647467 /nfs/dbraw/zinc/64/74/67/944647467.db2.gz LSWLRMNHOOJQNU-MRXNPFEDSA-N 0 3 290.363 1.503 20 10 CDCDHN Oc1cc2c(ncnc2-c2ccc(N3CCCC3)cc2)[nH]1 ZINC001240587049 945929217 /nfs/dbraw/zinc/92/92/17/945929217.db2.gz IITRGRJMNRYEBK-UHFFFAOYSA-N 0 3 280.331 1.958 20 10 CDCDHN O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001254923166 947654258 /nfs/dbraw/zinc/65/42/58/947654258.db2.gz BGNWYELXLABSMP-GDNZZTSVSA-N 0 3 261.321 1.945 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249173661 949443732 /nfs/dbraw/zinc/44/37/32/949443732.db2.gz UUXBISHRSBPJBI-ZWNOBZJWSA-N 0 3 279.336 1.063 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249173661 949443746 /nfs/dbraw/zinc/44/37/46/949443746.db2.gz UUXBISHRSBPJBI-ZWNOBZJWSA-N 0 3 279.336 1.063 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC001308657325 956559475 /nfs/dbraw/zinc/55/94/75/956559475.db2.gz RXQGBISVGABUNB-JTQLQIEISA-N 0 3 264.325 1.016 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC001308657325 956559486 /nfs/dbraw/zinc/55/94/86/956559486.db2.gz RXQGBISVGABUNB-JTQLQIEISA-N 0 3 264.325 1.016 20 10 CDCDHN C=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335323606 959709625 /nfs/dbraw/zinc/70/96/25/959709625.db2.gz GXVLFKSCHBBUNG-CQSZACIVSA-N 0 3 261.369 1.658 20 10 CDCDHN O=C(CC[NH2+]C1CC1)NCc1c([O-])cccc1F ZINC001341762993 963533433 /nfs/dbraw/zinc/53/34/33/963533433.db2.gz FNNFZPSNYVATKQ-UHFFFAOYSA-N 0 3 252.289 1.290 20 10 CDCDHN CCC(=O)N1CCCN(Cc2ccc(N)cc2)CC1 ZINC001356083108 969329363 /nfs/dbraw/zinc/32/93/63/969329363.db2.gz KBEJPAWKHXGCTR-UHFFFAOYSA-N 0 3 261.369 1.713 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2CCCNC2=O)c([O-])c1 ZINC000295036566 199313790 /nfs/dbraw/zinc/31/37/90/199313790.db2.gz MFBTYUZDGWCBIH-ZDUSSCGKSA-N 0 3 278.352 1.549 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCCOC ZINC000295086301 199337225 /nfs/dbraw/zinc/33/72/25/199337225.db2.gz RRPQKKQPVWATHX-OAHLLOKOSA-N 0 3 297.395 1.628 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCCOC ZINC000295086301 199337227 /nfs/dbraw/zinc/33/72/27/199337227.db2.gz RRPQKKQPVWATHX-OAHLLOKOSA-N 0 3 297.395 1.628 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751859 356924973 /nfs/dbraw/zinc/92/49/73/356924973.db2.gz SLQXYFPUUZSARD-LLVKDONJSA-N 0 3 250.342 1.830 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000179587389 357214571 /nfs/dbraw/zinc/21/45/71/357214571.db2.gz PBHNBIBGMCHBKH-UHFFFAOYSA-N 0 3 272.352 1.896 20 10 CDCDHN COc1cc(O)c(CN2CC[C@](C)(O)C2)cc1OC ZINC000180634224 357278656 /nfs/dbraw/zinc/27/86/56/357278656.db2.gz OKRCYRHCTOHPMZ-AWEZNQCLSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)cc1OC ZINC000180634224 357278660 /nfs/dbraw/zinc/27/86/60/357278660.db2.gz OKRCYRHCTOHPMZ-AWEZNQCLSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)cc1OC ZINC000180634224 357278666 /nfs/dbraw/zinc/27/86/66/357278666.db2.gz OKRCYRHCTOHPMZ-AWEZNQCLSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727402 358149743 /nfs/dbraw/zinc/14/97/43/358149743.db2.gz BUZHIBKXPOALQJ-PWSUYJOCSA-N 0 3 251.326 1.461 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727402 358149745 /nfs/dbraw/zinc/14/97/45/358149745.db2.gz BUZHIBKXPOALQJ-PWSUYJOCSA-N 0 3 251.326 1.461 20 10 CDCDHN CN(CCn1cccn1)Cc1cc2c(cc1O)OCO2 ZINC000111169200 359188028 /nfs/dbraw/zinc/18/80/28/359188028.db2.gz GFAXZBOFJZKGCV-UHFFFAOYSA-N 0 3 275.308 1.449 20 10 CDCDHN COc1ccc(N2CCN(C(=O)C(C)(C)N)CC2)cc1F ZINC000237280120 359547659 /nfs/dbraw/zinc/54/76/59/359547659.db2.gz ROSSCDNIFHNUAD-UHFFFAOYSA-N 0 3 295.358 1.220 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000269998595 364416141 /nfs/dbraw/zinc/41/61/41/364416141.db2.gz QWEITKLCVWTUEX-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271828033 365001520 /nfs/dbraw/zinc/00/15/20/365001520.db2.gz OHOUSUNVVNVJRG-OAHLLOKOSA-N 0 3 299.367 1.287 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000375556601 370862525 /nfs/dbraw/zinc/86/25/25/370862525.db2.gz HSIFLLICEXESHG-HNNXBMFYSA-N 0 3 276.336 1.775 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cccc(C)c1[O-] ZINC000282401118 367867665 /nfs/dbraw/zinc/86/76/65/367867665.db2.gz CQJREXSSRNIRGE-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cccc(C)c1[O-] ZINC000282401118 367867668 /nfs/dbraw/zinc/86/76/68/367867668.db2.gz CQJREXSSRNIRGE-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000282616321 367961479 /nfs/dbraw/zinc/96/14/79/367961479.db2.gz LRRFDPMTLXQGOJ-OAHLLOKOSA-N 0 3 291.395 1.123 20 10 CDCDHN COc1ccc(CN[C@@]2(CO)CCOC2)cc1C ZINC000273468949 371165259 /nfs/dbraw/zinc/16/52/59/371165259.db2.gz IVXQPMAYVOAWPD-CQSZACIVSA-N 0 3 251.326 1.245 20 10 CDCDHN C[S@@](=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000281931686 390972422 /nfs/dbraw/zinc/97/24/22/390972422.db2.gz ZXLXZNFXICHUCP-GOSISDBHSA-N 0 3 271.357 1.922 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000174372165 391121679 /nfs/dbraw/zinc/12/16/79/391121679.db2.gz TVAAADMGHAVHCZ-ZDUSSCGKSA-N 0 3 262.353 1.835 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000174372165 391121683 /nfs/dbraw/zinc/12/16/83/391121683.db2.gz TVAAADMGHAVHCZ-ZDUSSCGKSA-N 0 3 262.353 1.835 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000188493728 391458567 /nfs/dbraw/zinc/45/85/67/391458567.db2.gz ZMDHZMVAPXCFIY-SECBINFHSA-N 0 3 280.324 1.077 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000035225046 172069510 /nfs/dbraw/zinc/06/95/10/172069510.db2.gz PKLYSWDDNWEOBR-CQSZACIVSA-N 0 3 261.369 1.511 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060296 174070530 /nfs/dbraw/zinc/07/05/30/174070530.db2.gz REUJDEVGAMGEQX-CMPLNLGQSA-N 0 3 267.325 1.467 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCOC1)OCO2 ZINC000042880300 174901747 /nfs/dbraw/zinc/90/17/47/174901747.db2.gz PMPWPKAMRDFHCZ-SNVBAGLBSA-N 0 3 265.309 1.637 20 10 CDCDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000128310382 260374154 /nfs/dbraw/zinc/37/41/54/260374154.db2.gz VREOYWROIPXGRA-LBPRGKRZSA-N 0 3 275.396 1.929 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157199919 261142386 /nfs/dbraw/zinc/14/23/86/261142386.db2.gz INMQNRWMHBIYLW-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157199919 261142387 /nfs/dbraw/zinc/14/23/87/261142387.db2.gz INMQNRWMHBIYLW-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000185781177 262070521 /nfs/dbraw/zinc/07/05/21/262070521.db2.gz UFRWNLINKPPRSO-GFCCVEGCSA-N 0 3 264.325 1.713 20 10 CDCDHN CN(C)c1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274934251 263031739 /nfs/dbraw/zinc/03/17/39/263031739.db2.gz OZUGCYYHUPHURV-UHFFFAOYSA-N 0 3 284.363 1.394 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1C ZINC000278566674 263049041 /nfs/dbraw/zinc/04/90/41/263049041.db2.gz DCMAWTIOJARLPY-SWLSCSKDSA-N 0 3 265.353 1.639 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1)OCO2 ZINC000188797504 264250461 /nfs/dbraw/zinc/25/04/61/264250461.db2.gz OTNZEVLVQHBULE-MWLCHTKSSA-N 0 3 265.309 1.372 20 10 CDCDHN CCC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000367528690 267097366 /nfs/dbraw/zinc/09/73/66/267097366.db2.gz IBSHJMPBDHOWBH-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN CCC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000367528690 267097367 /nfs/dbraw/zinc/09/73/67/267097367.db2.gz IBSHJMPBDHOWBH-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000371326973 267390600 /nfs/dbraw/zinc/39/06/00/267390600.db2.gz LABQXJVSKQDJTL-WBVHZDCISA-N 0 3 290.407 1.732 20 10 CDCDHN C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000529668187 281350990 /nfs/dbraw/zinc/35/09/90/281350990.db2.gz GCIVRXJPSREIFD-GASCZTMLSA-N 0 3 283.343 1.344 20 10 CDCDHN C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000529668187 281350991 /nfs/dbraw/zinc/35/09/91/281350991.db2.gz GCIVRXJPSREIFD-GASCZTMLSA-N 0 3 283.343 1.344 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000264948790 328163493 /nfs/dbraw/zinc/16/34/93/328163493.db2.gz JUKWCAVBDCLLDC-AWEZNQCLSA-N 0 3 264.369 1.511 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000263774878 327518889 /nfs/dbraw/zinc/51/88/89/327518889.db2.gz UHKJVYCQXWCNFY-AWEZNQCLSA-N 0 3 275.396 1.853 20 10 CDCDHN Cc1ccc(O)c(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128120742 329605074 /nfs/dbraw/zinc/60/50/74/329605074.db2.gz FJDXOKULQRFYKO-AWEZNQCLSA-N 0 3 264.369 1.463 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)NC(C)(C)C ZINC000134230474 329658164 /nfs/dbraw/zinc/65/81/64/329658164.db2.gz INQNTVIBFMCWHM-JTQLQIEISA-N 0 3 250.342 1.785 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000228064959 333294107 /nfs/dbraw/zinc/29/41/07/333294107.db2.gz VQDLSILAAOKLPF-RWSFTLGLSA-N 0 3 281.352 1.591 20 10 CDCDHN CCN(C)C(=O)CN[C@H](C)c1cc(C)ccc1O ZINC000186813676 520175531 /nfs/dbraw/zinc/17/55/31/520175531.db2.gz YLDXAUAVBLAFIA-LLVKDONJSA-N 0 3 250.342 1.830 20 10 CDCDHN COC[C@@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000045658155 522203700 /nfs/dbraw/zinc/20/37/00/522203700.db2.gz NKCQJZXHDKZLJK-VIFPVBQESA-N 0 3 253.298 1.493 20 10 CDCDHN CCCCN(C)CCNC(=O)Cc1ccc(N)cc1 ZINC000236712056 520404004 /nfs/dbraw/zinc/40/40/04/520404004.db2.gz QXJWOHPHQCCHRZ-UHFFFAOYSA-N 0 3 263.385 1.659 20 10 CDCDHN CCOc1cccc(C[N@H+](CC)[C@H](C)CO)c1[O-] ZINC000292740796 521334441 /nfs/dbraw/zinc/33/44/41/521334441.db2.gz HIDQQASSDXQTRJ-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](CC)[C@H](C)CO)c1[O-] ZINC000292740796 521334447 /nfs/dbraw/zinc/33/44/47/521334447.db2.gz HIDQQASSDXQTRJ-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2(O)CC(OCC)C2)c1[O-] ZINC000277791807 521362766 /nfs/dbraw/zinc/36/27/66/521362766.db2.gz WJRUFVPQLBTISW-UHFFFAOYSA-N 0 3 295.379 1.811 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C23CCCN2CCC3)cc1 ZINC000278614189 522183531 /nfs/dbraw/zinc/18/35/31/522183531.db2.gz MAZDZRJPBGIRQN-UHFFFAOYSA-N 0 3 287.407 1.997 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@@]3(F)CCNC3)ccc21 ZINC000366329765 523861939 /nfs/dbraw/zinc/86/19/39/523861939.db2.gz PJOYCUOBPMJQNT-MRXNPFEDSA-N 0 3 291.370 1.387 20 10 CDCDHN C[C@H]1CCCN(CCNC(=O)NCc2ccccc2O)C1 ZINC000299500443 524089802 /nfs/dbraw/zinc/08/98/02/524089802.db2.gz LQAUSYOBSQYMEF-ZDUSSCGKSA-N 0 3 291.395 1.923 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292478418 525349606 /nfs/dbraw/zinc/34/96/06/525349606.db2.gz AOYAUVCVYAJGCJ-OLZOCXBDSA-N 0 3 251.326 1.330 20 10 CDCDHN COc1cccc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000275978377 525922169 /nfs/dbraw/zinc/92/21/69/525922169.db2.gz LWQYCOXMMSHPLM-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000275978377 525922177 /nfs/dbraw/zinc/92/21/77/525922177.db2.gz LWQYCOXMMSHPLM-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278544496 526033749 /nfs/dbraw/zinc/03/37/49/526033749.db2.gz YAGQELGBCMYQOO-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN Cc1cc(O)c(CN2CCC[NH2+]C[C@H]2C(=O)[O-])cc1C ZINC001600286076 1174438709 /nfs/dbraw/zinc/43/87/09/1174438709.db2.gz JVNDUYKFNJIAJX-ZDUSSCGKSA-N 0 3 278.352 1.258 20 10 CDCDHN Cn1cccc1CNC(=S)NC1CCN(C)CC1 ZINC000743061013 576625558 /nfs/dbraw/zinc/62/55/58/576625558.db2.gz DNYVBEYJBCCDNZ-UHFFFAOYSA-N 0 3 266.414 1.083 20 10 CDCDHN COCC[N@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000770510104 575458145 /nfs/dbraw/zinc/45/81/45/575458145.db2.gz JHAMETNBJJJQJW-UHFFFAOYSA-N 0 3 267.325 1.404 20 10 CDCDHN COCC[N@@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000770510104 575458148 /nfs/dbraw/zinc/45/81/48/575458148.db2.gz JHAMETNBJJJQJW-UHFFFAOYSA-N 0 3 267.325 1.404 20 10 CDCDHN COC(=O)C[C@]1(NCc2ccc(OC)c(C)c2)CCOC1 ZINC000766469115 576104999 /nfs/dbraw/zinc/10/49/99/576104999.db2.gz NQNZFFKYQJUQKQ-MRXNPFEDSA-N 0 3 293.363 1.815 20 10 CDCDHN COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464414 576287136 /nfs/dbraw/zinc/28/71/36/576287136.db2.gz QUJVQJFCSKMXOS-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN COC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464414 576287137 /nfs/dbraw/zinc/28/71/37/576287137.db2.gz QUJVQJFCSKMXOS-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCOCC1 ZINC000768464959 576287350 /nfs/dbraw/zinc/28/73/50/576287350.db2.gz GPRINGYOHKNNOG-OAHLLOKOSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCOCC1 ZINC000768464959 576287351 /nfs/dbraw/zinc/28/73/51/576287351.db2.gz GPRINGYOHKNNOG-OAHLLOKOSA-N 0 3 293.363 1.676 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768842891 576312426 /nfs/dbraw/zinc/31/24/26/576312426.db2.gz ZBDUAKMZBYWRLS-GFCCVEGCSA-N 0 3 291.347 1.935 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)CC1CC1)OCO2 ZINC000754835033 576917880 /nfs/dbraw/zinc/91/78/80/576917880.db2.gz RMOFYTHNFDMFIN-LLVKDONJSA-N 0 3 265.309 1.372 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756505665 576992556 /nfs/dbraw/zinc/99/25/56/576992556.db2.gz VDKZSKKQMFTGRT-SCZZXKLOSA-N 0 3 287.356 1.714 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c([O-])c1C ZINC000756662270 576999140 /nfs/dbraw/zinc/99/91/40/576999140.db2.gz ZNHIRPAPSPTUMK-ONGXEEELSA-N 0 3 250.342 1.924 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C2CC2)c1 ZINC000840882311 617517334 /nfs/dbraw/zinc/51/73/34/617517334.db2.gz IQFZQFMGTZIPNU-LLVKDONJSA-N 0 3 283.393 1.928 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893999369 618241386 /nfs/dbraw/zinc/24/13/86/618241386.db2.gz CGVOGMTVLBJTCW-JTQLQIEISA-N 0 3 286.322 1.169 20 10 CDCDHN C[C@H](O)C[NH+]1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893999369 618241387 /nfs/dbraw/zinc/24/13/87/618241387.db2.gz CGVOGMTVLBJTCW-JTQLQIEISA-N 0 3 286.322 1.169 20 10 CDCDHN COc1cc(C)cc(CNC[C@H](O)C(F)(F)F)c1O ZINC000894201147 618693582 /nfs/dbraw/zinc/69/35/82/618693582.db2.gz WTLUXYSYOIOPDO-JTQLQIEISA-N 0 3 279.258 1.722 20 10 CDCDHN CC[N@H+](CCC(=O)NC)Cc1c([O-])cccc1OC ZINC000897709301 621081448 /nfs/dbraw/zinc/08/14/48/621081448.db2.gz ADYSZSGOASWPAZ-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CC[N@@H+](CCC(=O)NC)Cc1c([O-])cccc1OC ZINC000897709301 621081451 /nfs/dbraw/zinc/08/14/51/621081451.db2.gz ADYSZSGOASWPAZ-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COc1cccc(N)c1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170570838 1162957389 /nfs/dbraw/zinc/95/73/89/1162957389.db2.gz LNOCXNRIHPIUEK-CABZTGNLSA-N 0 3 251.330 1.066 20 10 CDCDHN CC[C@H]1[NH2+]CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001578238944 1171846132 /nfs/dbraw/zinc/84/61/32/1171846132.db2.gz MKWPQDOMXTVFOM-NEPJUHHUSA-N 0 3 281.331 1.471 20 10 CDCDHN Cc1cc([O-])c(CN2CCN(C)C[C@@H]2C[NH3+])cc1Cl ZINC001579637886 1172231819 /nfs/dbraw/zinc/23/18/19/1172231819.db2.gz GKYCMXHAKOVCOP-LBPRGKRZSA-N 0 3 283.803 1.429 20 10 CDCDHN COc1cc(O)c(CNCc2ccc[nH]c2=O)cc1OC ZINC000862536351 837832664 /nfs/dbraw/zinc/83/26/64/837832664.db2.gz JSARSJYIEAOIQC-UHFFFAOYSA-N 0 3 290.319 1.800 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000382571317 835803334 /nfs/dbraw/zinc/80/33/34/835803334.db2.gz QNGXDAMOJWJNHY-RNCFNFMXSA-N 0 3 257.305 1.579 20 10 CDCDHN Cc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c([O-])c1 ZINC000877596679 835823259 /nfs/dbraw/zinc/82/32/59/835823259.db2.gz PXXYXOKUQDTPHE-LBPRGKRZSA-N 0 3 273.340 1.182 20 10 CDCDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000788270870 835840077 /nfs/dbraw/zinc/84/00/77/835840077.db2.gz UPYKLCCRVYYTIV-PWSUYJOCSA-N 0 3 252.333 1.847 20 10 CDCDHN COCC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839144909 836259467 /nfs/dbraw/zinc/25/94/67/836259467.db2.gz CLLIGMYHYSNUBL-UHFFFAOYSA-N 0 3 290.407 1.992 20 10 CDCDHN COC[C@@]1(CN[C@H](C)c2ccc(F)cc2[O-])CCC[NH2+]1 ZINC000817973007 836359187 /nfs/dbraw/zinc/35/91/87/836359187.db2.gz BAYOTWRREKIORA-ABAIWWIYSA-N 0 3 282.359 1.951 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817971490 836494574 /nfs/dbraw/zinc/49/45/74/836494574.db2.gz DOTVBHHCMJAQMB-IUCAKERBSA-N 0 3 252.314 1.177 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229554 836497753 /nfs/dbraw/zinc/49/77/53/836497753.db2.gz ROCAYSMPNDEALI-OLZOCXBDSA-N 0 3 251.326 1.412 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NCC(F)F)c([O-])c1 ZINC000887357983 836556457 /nfs/dbraw/zinc/55/64/57/836556457.db2.gz MHTBOIFDHODVCY-UHFFFAOYSA-N 0 3 259.256 1.280 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CC1(O)CCOCC1 ZINC000783714744 836851556 /nfs/dbraw/zinc/85/15/56/836851556.db2.gz BIENSASSVBUBIO-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CC1(O)CCOCC1 ZINC000783714744 836851563 /nfs/dbraw/zinc/85/15/63/836851563.db2.gz BIENSASSVBUBIO-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368282 836882381 /nfs/dbraw/zinc/88/23/81/836882381.db2.gz NMCHUXMYIMBJKM-GFCCVEGCSA-N 0 3 289.339 1.673 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000827210948 838803259 /nfs/dbraw/zinc/80/32/59/838803259.db2.gz UPMIFEAKALPVBD-UHFFFAOYSA-N 0 3 265.353 1.756 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCOCCO)C1CCC1 ZINC000827210948 838803268 /nfs/dbraw/zinc/80/32/68/838803268.db2.gz UPMIFEAKALPVBD-UHFFFAOYSA-N 0 3 265.353 1.756 20 10 CDCDHN CCOc1ccc(C[NH2+]CCOCCF)c([O-])c1 ZINC000853091877 839184504 /nfs/dbraw/zinc/18/45/04/839184504.db2.gz XSBSTZNDAPKZRA-UHFFFAOYSA-N 0 3 257.305 1.867 20 10 CDCDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000822971269 839315734 /nfs/dbraw/zinc/31/57/34/839315734.db2.gz BLCSXJGLOJBNBX-CYBMUJFWSA-N 0 3 278.352 1.587 20 10 CDCDHN COc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1 ZINC000840965842 840030140 /nfs/dbraw/zinc/03/01/40/840030140.db2.gz OHVKAVLFMHWPQM-UHFFFAOYSA-N 0 3 285.365 1.068 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)C)cc1 ZINC000312881797 840192702 /nfs/dbraw/zinc/19/27/02/840192702.db2.gz UUKVGIUGJURHRS-UHFFFAOYSA-N 0 3 263.385 1.757 20 10 CDCDHN CCCN1CC[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000850394934 840314292 /nfs/dbraw/zinc/31/42/92/840314292.db2.gz JGVMVWQDOWTMGK-GFCCVEGCSA-N 0 3 264.369 1.975 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000783507649 840839572 /nfs/dbraw/zinc/83/95/72/840839572.db2.gz CVYDOBVYQFQNRI-QWHCGFSZSA-N 0 3 264.369 1.764 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000779199753 840844088 /nfs/dbraw/zinc/84/40/88/840844088.db2.gz KVJLTWNMIZSBJH-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000779199753 840844089 /nfs/dbraw/zinc/84/40/89/840844089.db2.gz KVJLTWNMIZSBJH-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877424334 841145432 /nfs/dbraw/zinc/14/54/32/841145432.db2.gz JAWMVDVEXPXNBG-HOCLYGCPSA-N 0 3 295.379 1.611 20 10 CDCDHN CCN(CC)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103529524 841375754 /nfs/dbraw/zinc/37/57/54/841375754.db2.gz LIAUOOYCNSYFBV-LLVKDONJSA-N 0 3 280.368 1.920 20 10 CDCDHN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000855162048 841521239 /nfs/dbraw/zinc/52/12/39/841521239.db2.gz UFSSTWHZKIDSFU-NSHDSACASA-N 0 3 292.379 1.948 20 10 CDCDHN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000855162048 841521257 /nfs/dbraw/zinc/52/12/57/841521257.db2.gz UFSSTWHZKIDSFU-NSHDSACASA-N 0 3 292.379 1.948 20 10 CDCDHN CC(=O)NCCN(C)Cc1cc(C)cc(C)c1O ZINC000842631884 841841859 /nfs/dbraw/zinc/84/18/59/841841859.db2.gz QBAYFUHXUPYASP-UHFFFAOYSA-N 0 3 250.342 1.577 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000883184368 841857229 /nfs/dbraw/zinc/85/72/29/841857229.db2.gz VELQAHMLPHWUOM-UONOGXRCSA-N 0 3 265.353 1.923 20 10 CDCDHN C[C@@H]([NH2+]CCn1ccccc1=O)c1ccccc1[O-] ZINC000879648884 841869790 /nfs/dbraw/zinc/86/97/90/841869790.db2.gz FSGWESQJHRQHDV-GFCCVEGCSA-N 0 3 258.321 1.905 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@H](C)[C@H]2C)cc1OC ZINC000775986687 841999153 /nfs/dbraw/zinc/99/91/53/841999153.db2.gz RYAPJMKSKNWKML-VXGBXAGGSA-N 0 3 294.395 1.934 20 10 CDCDHN CN(C)c1ccc(CN[C@]23C[C@H]2COC3)cc1F ZINC000886201622 842070128 /nfs/dbraw/zinc/07/01/28/842070128.db2.gz LCRXWMPWRFTSOW-FZMZJTMJSA-N 0 3 250.317 1.770 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CN2CCOCC2)c([O-])c1 ZINC000876932525 842078510 /nfs/dbraw/zinc/07/85/10/842078510.db2.gz OJHPUUWEARFGDD-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667105 842148129 /nfs/dbraw/zinc/14/81/29/842148129.db2.gz CMRSCMJDLWFJIT-HZPDHXFCSA-N 0 3 277.364 1.802 20 10 CDCDHN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(C2CC2)C1 ZINC000779499310 842278835 /nfs/dbraw/zinc/27/88/35/842278835.db2.gz MVHQIPPQHAQEOG-DWMUBGRBSA-N 0 3 288.347 1.464 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000856811935 842342527 /nfs/dbraw/zinc/34/25/27/842342527.db2.gz PKUMCZKSIKEELA-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCN(CC)C(=O)CN[C@@H](C)c1cccc(OC)c1O ZINC000846145755 842527147 /nfs/dbraw/zinc/52/71/47/842527147.db2.gz QBUSSRCLHROAGS-NSHDSACASA-N 0 3 280.368 1.920 20 10 CDCDHN COCC(COC)N1CCN(Cc2ccccc2O)CC1 ZINC000840954652 842934726 /nfs/dbraw/zinc/93/47/26/842934726.db2.gz LYRJLPDGBIBHFD-UHFFFAOYSA-N 0 3 294.395 1.171 20 10 CDCDHN CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272619634 914193833 /nfs/dbraw/zinc/19/38/33/914193833.db2.gz XIRINVWDJBERJU-HNNXBMFYSA-N 0 3 260.337 1.589 20 10 CDCDHN CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272619634 914193840 /nfs/dbraw/zinc/19/38/40/914193840.db2.gz XIRINVWDJBERJU-HNNXBMFYSA-N 0 3 260.337 1.589 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000715736432 921197751 /nfs/dbraw/zinc/19/77/51/921197751.db2.gz ZUXJDGLFGYTHJY-GFCCVEGCSA-N 0 3 279.336 1.873 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204823166 907517082 /nfs/dbraw/zinc/51/70/82/907517082.db2.gz HHGGTCLYRGCTFE-KGLIPLIRSA-N 0 3 281.375 1.719 20 10 CDCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)NC ZINC000697915072 909574742 /nfs/dbraw/zinc/57/47/42/909574742.db2.gz FTLKIIJPMSLADY-JTQLQIEISA-N 0 3 286.759 1.668 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272767096 919203846 /nfs/dbraw/zinc/20/38/46/919203846.db2.gz WUWKOENKZUYUDE-INIZCTEOSA-N 0 3 274.364 1.755 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272767096 919203858 /nfs/dbraw/zinc/20/38/58/919203858.db2.gz WUWKOENKZUYUDE-INIZCTEOSA-N 0 3 274.364 1.755 20 10 CDCDHN OC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660435 936736056 /nfs/dbraw/zinc/73/60/56/936736056.db2.gz RNWAJXCJNMRUPT-HNNXBMFYSA-N 0 3 294.370 1.619 20 10 CDCDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140750164 936750263 /nfs/dbraw/zinc/75/02/63/936750263.db2.gz WWLKQKUJLOENDQ-CYBMUJFWSA-N 0 3 292.379 1.897 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(OC)c1 ZINC001141031345 936794688 /nfs/dbraw/zinc/79/46/88/936794688.db2.gz DJBQTEUNKJNIIE-OLZOCXBDSA-N 0 3 299.342 1.704 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c(OC)c1 ZINC001141031345 936794689 /nfs/dbraw/zinc/79/46/89/936794689.db2.gz DJBQTEUNKJNIIE-OLZOCXBDSA-N 0 3 299.342 1.704 20 10 CDCDHN CC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145339 936820372 /nfs/dbraw/zinc/82/03/72/936820372.db2.gz URWGEDDLLNESOY-CQSZACIVSA-N 0 3 274.364 1.926 20 10 CDCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2cc(O)ccc2O)C1 ZINC001141156773 936821584 /nfs/dbraw/zinc/82/15/84/936821584.db2.gz URRIRJIRXQSXEK-GFCCVEGCSA-N 0 3 291.269 1.845 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001169624819 928249629 /nfs/dbraw/zinc/24/96/29/928249629.db2.gz MHGRADUXPSQMPU-CQSZACIVSA-N 0 3 262.353 1.835 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001169624819 928249643 /nfs/dbraw/zinc/24/96/43/928249643.db2.gz MHGRADUXPSQMPU-CQSZACIVSA-N 0 3 262.353 1.835 20 10 CDCDHN Oc1cc(O)c(CN2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001144515743 931881331 /nfs/dbraw/zinc/88/13/31/931881331.db2.gz XAPSYVMBZXLWDK-GFCCVEGCSA-N 0 3 265.309 1.414 20 10 CDCDHN CNc1ccccc1NCCCN1CCN(C)CC1 ZINC001161710175 938924357 /nfs/dbraw/zinc/92/43/57/938924357.db2.gz OQKBMOWCXKUFDN-UHFFFAOYSA-N 0 3 262.401 1.778 20 10 CDCDHN O=C1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCN12 ZINC001203563379 939693117 /nfs/dbraw/zinc/69/31/17/939693117.db2.gz ZTYPUBSDPDXNSH-ZDUSSCGKSA-N 0 3 260.337 1.589 20 10 CDCDHN O=C1CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCN12 ZINC001203563379 939693118 /nfs/dbraw/zinc/69/31/18/939693118.db2.gz ZTYPUBSDPDXNSH-ZDUSSCGKSA-N 0 3 260.337 1.589 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001203628565 939697886 /nfs/dbraw/zinc/69/78/86/939697886.db2.gz CQGOGOUGLPYEPI-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001203628565 939697888 /nfs/dbraw/zinc/69/78/88/939697888.db2.gz CQGOGOUGLPYEPI-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc(O)c(O)c2)C[C@@]1(C)O ZINC001203875500 939710569 /nfs/dbraw/zinc/71/05/69/939710569.db2.gz NXSZPGFHCRAXAP-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN Cc1c(CN2CCc3cccc(O)c3C2)cnn1C ZINC001204574163 939776450 /nfs/dbraw/zinc/77/64/50/939776450.db2.gz YHXXLSYESZEJGY-UHFFFAOYSA-N 0 3 257.337 1.992 20 10 CDCDHN Cc1ccc(C)n1-c1ccc(CN(C)C[C@H](O)CO)cc1 ZINC001209516829 940599464 /nfs/dbraw/zinc/59/94/64/940599464.db2.gz PYOFRNCSUBFMFQ-KRWDZBQOSA-N 0 3 288.391 1.879 20 10 CDCDHN NC(=O)[C@@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277440772 942575003 /nfs/dbraw/zinc/57/50/03/942575003.db2.gz DRTZZXKXEARLBU-NSHDSACASA-N 0 3 278.377 1.185 20 10 CDCDHN NC(=O)[C@@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440772 942575009 /nfs/dbraw/zinc/57/50/09/942575009.db2.gz DRTZZXKXEARLBU-NSHDSACASA-N 0 3 278.377 1.185 20 10 CDCDHN Cc1ccc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c([O-])c1 ZINC001277569409 943022576 /nfs/dbraw/zinc/02/25/76/943022576.db2.gz YRMSUSDLBCPXST-UHFFFAOYSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cc(C)c(CN2CCN(C3COC3)CC2)c(O)c1 ZINC001231842968 943026111 /nfs/dbraw/zinc/02/61/11/943026111.db2.gz QSYDTAHAKZINAC-UHFFFAOYSA-N 0 3 276.380 1.525 20 10 CDCDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001235983186 944347026 /nfs/dbraw/zinc/34/70/26/944347026.db2.gz YLPSOXWJGAQCOP-ZWNOBZJWSA-N 0 3 252.745 1.969 20 10 CDCDHN COc1cc(C[N@H+](C)CCO)c([O-])cc1Br ZINC001236255512 944438280 /nfs/dbraw/zinc/43/82/80/944438280.db2.gz GLPXBLAFWDMGHC-UHFFFAOYSA-N 0 3 290.157 1.587 20 10 CDCDHN COc1cc(C[N@@H+](C)CCO)c([O-])cc1Br ZINC001236255512 944438283 /nfs/dbraw/zinc/43/82/83/944438283.db2.gz GLPXBLAFWDMGHC-UHFFFAOYSA-N 0 3 290.157 1.587 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001237049440 944646486 /nfs/dbraw/zinc/64/64/86/944646486.db2.gz FQMZHNVERAAHIY-HNNXBMFYSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001237049440 944646490 /nfs/dbraw/zinc/64/64/90/944646490.db2.gz FQMZHNVERAAHIY-HNNXBMFYSA-N 0 3 265.353 1.995 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001249173693 949440272 /nfs/dbraw/zinc/44/02/72/949440272.db2.gz VGZDGXIXTMWJRE-RISCZKNCSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001249173693 949440285 /nfs/dbraw/zinc/44/02/85/949440285.db2.gz VGZDGXIXTMWJRE-RISCZKNCSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001249178950 949441122 /nfs/dbraw/zinc/44/11/22/949441122.db2.gz WRKBCMYVJGSWPQ-CYBMUJFWSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001249178950 949441129 /nfs/dbraw/zinc/44/11/29/949441129.db2.gz WRKBCMYVJGSWPQ-CYBMUJFWSA-N 0 3 279.336 1.064 20 10 CDCDHN CC(C)(CO)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001575338102 1171154374 /nfs/dbraw/zinc/15/43/74/1171154374.db2.gz LCZKECYAKCVOEI-UHFFFAOYSA-N 0 3 263.385 1.157 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000036794559 356884231 /nfs/dbraw/zinc/88/42/31/356884231.db2.gz OJTKAZVHZSHXOX-QWRGUYRKSA-N 0 3 250.342 1.876 20 10 CDCDHN COc1cccc(CN2CCC(C)(O)CC2)c1O ZINC000179725754 357222123 /nfs/dbraw/zinc/22/21/23/357222123.db2.gz PGRLYSCJLGEEFY-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC000179725754 357222128 /nfs/dbraw/zinc/22/21/28/357222128.db2.gz PGRLYSCJLGEEFY-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000188826632 357941294 /nfs/dbraw/zinc/94/12/94/357941294.db2.gz LVWODWWNTBZEOP-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000188826632 357941295 /nfs/dbraw/zinc/94/12/95/357941295.db2.gz LVWODWWNTBZEOP-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)COC2)c([O-])c1 ZINC000294832132 199203303 /nfs/dbraw/zinc/20/33/03/199203303.db2.gz RDNVMIJHDGIYMT-GFCCVEGCSA-N 0 3 265.353 1.669 20 10 CDCDHN COc1cccc(CNC(=O)/C=C/CN(C)C)c1O ZINC000269178747 364151134 /nfs/dbraw/zinc/15/11/34/364151134.db2.gz KMRRTSNEDWHFRH-VMPITWQZSA-N 0 3 264.325 1.135 20 10 CDCDHN CCOc1cccc(CN2CCC(O)(COC)CC2)c1O ZINC000271178408 364962263 /nfs/dbraw/zinc/96/22/63/364962263.db2.gz KLKOULACBQBBNH-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOCc1cc(CNC[C@@H](COC)OC)ccc1OC ZINC000272627295 365328229 /nfs/dbraw/zinc/32/82/29/365328229.db2.gz AEFHJOXFNNIHDP-HNNXBMFYSA-N 0 3 297.395 1.983 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297933696 372038519 /nfs/dbraw/zinc/03/85/19/372038519.db2.gz XTNNISBDQUVVSW-KGLIPLIRSA-N 0 3 276.380 1.690 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282462235 295168656 /nfs/dbraw/zinc/16/86/56/295168656.db2.gz VSDJFGIHMIRNIG-APBUJDDRSA-N 0 3 283.393 1.963 20 10 CDCDHN COc1cccc(CNC(=O)CN(C)C(C)C)c1O ZINC000105649365 390516008 /nfs/dbraw/zinc/51/60/08/390516008.db2.gz TUGOKOHLUXLSBH-UHFFFAOYSA-N 0 3 266.341 1.357 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([O-])c1O ZINC000182319623 391232601 /nfs/dbraw/zinc/23/26/01/391232601.db2.gz YEYITQIQLKBTFK-SNVBAGLBSA-N 0 3 278.352 1.619 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c([O-])c1O ZINC000182319623 391232604 /nfs/dbraw/zinc/23/26/04/391232604.db2.gz YEYITQIQLKBTFK-SNVBAGLBSA-N 0 3 278.352 1.619 20 10 CDCDHN COc1cccc(CN2CCC[C@H](OCCO)C2)c1O ZINC000179577724 391212615 /nfs/dbraw/zinc/21/26/15/391212615.db2.gz FUKHVOBDBAFZDP-ZDUSSCGKSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1cccc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000275848180 391352176 /nfs/dbraw/zinc/35/21/76/391352176.db2.gz HTHXGEHOBRIJML-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1cccc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000275848180 391352178 /nfs/dbraw/zinc/35/21/78/391352178.db2.gz HTHXGEHOBRIJML-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H](C)CC(N)=O)cc1 ZINC000135716346 393309753 /nfs/dbraw/zinc/30/97/53/393309753.db2.gz ZJMBZJQKTMMFAW-GFCCVEGCSA-N 0 3 263.385 1.886 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036933245 260052990 /nfs/dbraw/zinc/05/29/90/260052990.db2.gz DWJRVQMBGSEXHD-STQMWFEESA-N 0 3 264.369 1.764 20 10 CDCDHN CCOc1cccc(CN2CCC(CC(N)=O)CC2)c1O ZINC000159767483 261193950 /nfs/dbraw/zinc/19/39/50/261193950.db2.gz PMZFYKOIPZOYCR-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1[O-] ZINC000159767483 261193951 /nfs/dbraw/zinc/19/39/51/261193951.db2.gz PMZFYKOIPZOYCR-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185392714 262053163 /nfs/dbraw/zinc/05/31/63/262053163.db2.gz XWEAXLYSKRWABD-LSDHHAIUSA-N 0 3 291.439 1.987 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000186178707 262083287 /nfs/dbraw/zinc/08/32/87/262083287.db2.gz WKWJYJPCVAVJCC-NOZJJQNGSA-N 0 3 255.289 1.333 20 10 CDCDHN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)ccc1[O-] ZINC000186221813 262084503 /nfs/dbraw/zinc/08/45/03/262084503.db2.gz JINJETSFHJDQID-QMMMGPOBSA-N 0 3 254.305 1.693 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185194074 262301804 /nfs/dbraw/zinc/30/18/04/262301804.db2.gz OKDBKRWYSFHYSP-NSHDSACASA-N 0 3 280.368 1.920 20 10 CDCDHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296082339 290028340 /nfs/dbraw/zinc/02/83/40/290028340.db2.gz XLONPFJBMSXHSQ-ZLKJLUDKSA-N 0 3 250.342 1.163 20 10 CDCDHN C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(F)ccc1[O-] ZINC000186505715 327917036 /nfs/dbraw/zinc/91/70/36/327917036.db2.gz JWBRNJFWQUBKHG-VIFPVBQESA-N 0 3 266.316 1.708 20 10 CDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219065863 333141130 /nfs/dbraw/zinc/14/11/30/333141130.db2.gz QBGWZUNKOCMBLQ-AMIZOPFISA-N 0 3 285.365 1.323 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000228094447 333294929 /nfs/dbraw/zinc/29/49/29/333294929.db2.gz JRSQOWXFMCJNRA-IINYFYTJSA-N 0 3 267.325 1.030 20 10 CDCDHN CCOCc1cc(CN[C@@H](CO)COC)ccc1OC ZINC000279812940 520186255 /nfs/dbraw/zinc/18/62/55/520186255.db2.gz OTXWXXLMCCHJOK-AWEZNQCLSA-N 0 3 283.368 1.329 20 10 CDCDHN CN(C)c1ccc(CN(C)CCC(N)=O)cc1F ZINC000289662101 522168472 /nfs/dbraw/zinc/16/84/72/522168472.db2.gz NHLFEZQZUDYGQW-UHFFFAOYSA-N 0 3 253.321 1.199 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCO1 ZINC000278555229 522754202 /nfs/dbraw/zinc/75/42/02/522754202.db2.gz BVRWNMUNRTZABO-JSGCOSHPSA-N 0 3 251.326 1.676 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC2(N(C)C)CCC2)cc1OC ZINC000275806353 522779195 /nfs/dbraw/zinc/77/91/95/522779195.db2.gz DAKGYCFLZXQDNO-UHFFFAOYSA-N 0 3 294.395 1.983 20 10 CDCDHN COC[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000071266233 522802583 /nfs/dbraw/zinc/80/25/83/522802583.db2.gz YKEZBUIQKFKOPE-MRXNPFEDSA-N 0 3 278.396 1.774 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000061375916 523604243 /nfs/dbraw/zinc/60/42/43/523604243.db2.gz FGERIHQPNYSTKO-UHFFFAOYSA-N 0 3 268.357 1.069 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000290301098 524010578 /nfs/dbraw/zinc/01/05/78/524010578.db2.gz YVRHBTBSAAWXIH-OSMZGAPFSA-N 0 3 251.326 1.765 20 10 CDCDHN CCCN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000730285568 574910108 /nfs/dbraw/zinc/91/01/08/574910108.db2.gz XTENLWWQYDAFPV-NSHDSACASA-N 0 3 280.368 1.920 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000764679228 575933431 /nfs/dbraw/zinc/93/34/31/575933431.db2.gz QONSJYMSSIOHHT-HNNXBMFYSA-N 0 3 295.379 1.668 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000765797247 576056951 /nfs/dbraw/zinc/05/69/51/576056951.db2.gz RBYQHCGCDHXZTD-NWDGAFQWSA-N 0 3 278.352 1.405 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CCO)CC1 ZINC000768238270 576264770 /nfs/dbraw/zinc/26/47/70/576264770.db2.gz YKQJNMFEVLWAGF-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN CC(C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440315 576282743 /nfs/dbraw/zinc/28/27/43/576282743.db2.gz QJVFBORTMHWPER-CYBMUJFWSA-N 0 3 251.326 1.906 20 10 CDCDHN CC(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440315 576282745 /nfs/dbraw/zinc/28/27/45/576282745.db2.gz QJVFBORTMHWPER-CYBMUJFWSA-N 0 3 251.326 1.906 20 10 CDCDHN CCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768443233 576283713 /nfs/dbraw/zinc/28/37/13/576283713.db2.gz RVCIXAHLFAAKAX-OAHLLOKOSA-N 0 3 293.363 1.819 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000756616001 576997526 /nfs/dbraw/zinc/99/75/26/576997526.db2.gz YILIXKAAEMIXSN-OTYXRUKQSA-N 0 3 279.315 1.649 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000756758612 577003393 /nfs/dbraw/zinc/00/33/93/577003393.db2.gz INGXQHLLDKCYRM-ZIBATOQPSA-N 0 3 282.359 1.901 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000892580805 617517271 /nfs/dbraw/zinc/51/72/71/617517271.db2.gz NLAGIKLYDZGWSU-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840976448 617978075 /nfs/dbraw/zinc/97/80/75/617978075.db2.gz BWKGEKGSEXZCND-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840976448 617978087 /nfs/dbraw/zinc/97/80/87/617978087.db2.gz BWKGEKGSEXZCND-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COC(=O)[C@H]1[C@H](CN(C)Cc2ccccc2O)C1(F)F ZINC000893961286 618208604 /nfs/dbraw/zinc/20/86/04/618208604.db2.gz DVPTYCJDCXMGGL-CMPLNLGQSA-N 0 3 285.290 1.878 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)C(=O)NCCF)c1O ZINC000894665674 619008395 /nfs/dbraw/zinc/00/83/95/619008395.db2.gz CLZGKWKEGYFRHM-SNVBAGLBSA-N 0 3 284.331 1.273 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000787422029 621556132 /nfs/dbraw/zinc/55/61/32/621556132.db2.gz XSOPCUOZIJXTHP-JOYOIKCWSA-N 0 3 267.300 1.915 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000787422029 621556143 /nfs/dbraw/zinc/55/61/43/621556143.db2.gz XSOPCUOZIJXTHP-JOYOIKCWSA-N 0 3 267.300 1.915 20 10 CDCDHN CCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724013 622386627 /nfs/dbraw/zinc/38/66/27/622386627.db2.gz ISQLSPBDNPBFEY-AWEZNQCLSA-N 0 3 294.468 1.839 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC000900026552 622658167 /nfs/dbraw/zinc/65/81/67/622658167.db2.gz NCHABFLPORNCNY-UHFFFAOYSA-N 0 3 272.352 1.677 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902413077 624818169 /nfs/dbraw/zinc/81/81/69/624818169.db2.gz HYVTZFLOTZFAFQ-SECBINFHSA-N 0 3 264.325 1.321 20 10 CDCDHN [O-]c1c(F)cc(Cl)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087780 628482451 /nfs/dbraw/zinc/48/24/51/628482451.db2.gz WNHKNZHLKBYVST-LLVKDONJSA-N 0 3 288.750 1.653 20 10 CDCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CNCCCO1 ZINC000841087780 628482454 /nfs/dbraw/zinc/48/24/54/628482454.db2.gz WNHKNZHLKBYVST-LLVKDONJSA-N 0 3 288.750 1.653 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000866420581 1164780568 /nfs/dbraw/zinc/78/05/68/1164780568.db2.gz PVUAAFKAZJJYQO-SCRDCRAPSA-N 0 3 251.326 1.501 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817412331 844064903 /nfs/dbraw/zinc/06/49/03/844064903.db2.gz IVTSJGNFRZOJHG-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817412331 844064911 /nfs/dbraw/zinc/06/49/11/844064911.db2.gz IVTSJGNFRZOJHG-VXGBXAGGSA-N 0 3 265.353 1.851 20 10 CDCDHN CCN(CC)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587829 844203506 /nfs/dbraw/zinc/20/35/06/844203506.db2.gz QHXGOXDSRSSMBY-UHFFFAOYSA-N 0 3 254.305 1.489 20 10 CDCDHN CC[C@@H](C(=O)NCc1cc(OC)ccc1O)N(C)C ZINC000126528077 844221612 /nfs/dbraw/zinc/22/16/12/844221612.db2.gz DUJSHWZXZOEBLX-LBPRGKRZSA-N 0 3 266.341 1.357 20 10 CDCDHN CN(C)c1ccc(CNC2COC(C)(C)OC2)cc1 ZINC000230695450 844238094 /nfs/dbraw/zinc/23/80/94/844238094.db2.gz NIGNNFNGVCXUFQ-UHFFFAOYSA-N 0 3 264.369 1.994 20 10 CDCDHN CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649273 844405543 /nfs/dbraw/zinc/40/55/43/844405543.db2.gz MTSWDGCIUQFCIH-QMTHXVAHSA-N 0 3 267.325 1.357 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000779192950 844636534 /nfs/dbraw/zinc/63/65/34/844636534.db2.gz RHBGJSIWQLBMLN-LBPRGKRZSA-N 0 3 261.300 1.832 20 10 CDCDHN CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647727 844525173 /nfs/dbraw/zinc/52/51/73/844525173.db2.gz JKALJCOBCXUCDS-LLVKDONJSA-N 0 3 293.367 1.525 20 10 CDCDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)[N@H+]1CCO ZINC000824925881 844542126 /nfs/dbraw/zinc/54/21/26/844542126.db2.gz HVGXJGNNGAFTAB-TXEJJXNPSA-N 0 3 298.814 1.933 20 10 CDCDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)[N@@H+]1CCO ZINC000824925881 844542130 /nfs/dbraw/zinc/54/21/30/844542130.db2.gz HVGXJGNNGAFTAB-TXEJJXNPSA-N 0 3 298.814 1.933 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858546952 844617261 /nfs/dbraw/zinc/61/72/61/844617261.db2.gz BJFPSVWJTNVURJ-NQBHXWOUSA-N 0 3 294.370 1.736 20 10 CDCDHN CC[C@H](NCc1c(O)cccc1OC)C(=O)NC ZINC000825316140 843290693 /nfs/dbraw/zinc/29/06/93/843290693.db2.gz KRDUNJQIXNQLMC-JTQLQIEISA-N 0 3 252.314 1.015 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000877515979 843852450 /nfs/dbraw/zinc/85/24/50/843852450.db2.gz AICAPHZSZHEQCR-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000877515979 843852451 /nfs/dbraw/zinc/85/24/51/843852451.db2.gz AICAPHZSZHEQCR-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1([S@](C)=O)CC1 ZINC000799348713 843870385 /nfs/dbraw/zinc/87/03/85/843870385.db2.gz LOUGFDZNAYJIRG-SFHVURJKSA-N 0 3 269.366 1.402 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c([O-])c1 ZINC000877590002 844800971 /nfs/dbraw/zinc/80/09/71/844800971.db2.gz VOTVSQJREAWZMG-UONOGXRCSA-N 0 3 265.353 1.578 20 10 CDCDHN CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000850408776 844945109 /nfs/dbraw/zinc/94/51/09/844945109.db2.gz FHQSQKXBDMAQIY-CVEARBPZSA-N 0 3 294.370 1.929 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000799347935 845038254 /nfs/dbraw/zinc/03/82/54/845038254.db2.gz SLHAOQYWFPRMDX-HZMBPMFUSA-N 0 3 278.352 1.405 20 10 CDCDHN C[NH2+]C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843349029 845062827 /nfs/dbraw/zinc/06/28/27/845062827.db2.gz DJMCZOSLHSHXKP-LLVKDONJSA-N 0 3 280.343 1.775 20 10 CDCDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000822971270 845066488 /nfs/dbraw/zinc/06/64/88/845066488.db2.gz BLCSXJGLOJBNBX-ZDUSSCGKSA-N 0 3 278.352 1.587 20 10 CDCDHN C[N@H+](CCC(=O)N1CCCC1)Cc1ccccc1[O-] ZINC000838896750 845102292 /nfs/dbraw/zinc/10/22/92/845102292.db2.gz ZHABXNPJRUCUCP-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN C[N@@H+](CCC(=O)N1CCCC1)Cc1ccccc1[O-] ZINC000838896750 845102296 /nfs/dbraw/zinc/10/22/96/845102296.db2.gz ZHABXNPJRUCUCP-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN CCOCc1cc(CN[C@@H]2COC[C@H]2OC)ccc1OC ZINC000842752769 845549225 /nfs/dbraw/zinc/54/92/25/845549225.db2.gz VPJYUPWBETXXQP-GDBMZVCRSA-N 0 3 295.379 1.735 20 10 CDCDHN [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCCO1 ZINC000313356420 845660327 /nfs/dbraw/zinc/66/03/27/845660327.db2.gz QMDAMWWOULFWPQ-SNVBAGLBSA-N 0 3 270.760 1.595 20 10 CDCDHN CCc1nncn1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834606192 845718400 /nfs/dbraw/zinc/71/84/00/845718400.db2.gz FSCDAXAIUABMME-LBPRGKRZSA-N 0 3 272.352 1.823 20 10 CDCDHN CO[C@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877371966 846025074 /nfs/dbraw/zinc/02/50/74/846025074.db2.gz SFEVVVBDHTZWCU-AWEZNQCLSA-N 0 3 251.326 1.596 20 10 CDCDHN Cc1[nH]cnc1CC(=O)NCc1cc(C)ccc1O ZINC000862755477 846079973 /nfs/dbraw/zinc/07/99/73/846079973.db2.gz HZGSGJFAIAKDPP-UHFFFAOYSA-N 0 3 259.309 1.591 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[O-] ZINC000843385991 846106837 /nfs/dbraw/zinc/10/68/37/846106837.db2.gz GJGSTYYHBCFERE-NHYWBVRUSA-N 0 3 292.354 1.918 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000840826350 846111731 /nfs/dbraw/zinc/11/17/31/846111731.db2.gz UMUFMVKPVPWGIM-ZJUUUORDSA-N 0 3 266.316 1.708 20 10 CDCDHN CCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648165 846192413 /nfs/dbraw/zinc/19/24/13/846192413.db2.gz ARSZOZREJOEVJR-LLVKDONJSA-N 0 3 266.341 1.196 20 10 CDCDHN CCOc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000069140513 846250221 /nfs/dbraw/zinc/25/02/21/846250221.db2.gz OLVQPSSVWTUEEG-GFCCVEGCSA-N 0 3 299.392 1.458 20 10 CDCDHN C[NH2+]C[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843044996 846939514 /nfs/dbraw/zinc/93/95/14/846939514.db2.gz PFWYXRNTHUELNE-NSHDSACASA-N 0 3 252.333 1.963 20 10 CDCDHN CCOc1ccc(O)c(CN2CCSC[C@H]2CO)c1 ZINC000877779886 847123874 /nfs/dbraw/zinc/12/38/74/847123874.db2.gz HHXVVOCTMQKAKN-GFCCVEGCSA-N 0 3 283.393 1.701 20 10 CDCDHN CC(C)S(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000386378516 847129306 /nfs/dbraw/zinc/12/93/06/847129306.db2.gz SVINAVAEOLRSHN-UHFFFAOYSA-N 0 3 275.345 1.444 20 10 CDCDHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1O ZINC000870988729 847131887 /nfs/dbraw/zinc/13/18/87/847131887.db2.gz XZHLJDIEGHTXTM-APPZFPTMSA-N 0 3 258.268 1.552 20 10 CDCDHN CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790617120 847280627 /nfs/dbraw/zinc/28/06/27/847280627.db2.gz BQZAXHYMUBZIDH-NSHDSACASA-N 0 3 278.352 1.700 20 10 CDCDHN CC(C)(C)NC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607954 847333449 /nfs/dbraw/zinc/33/34/49/847333449.db2.gz WKAJIIQVJLSFKD-UHFFFAOYSA-N 0 3 268.332 1.926 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C(N)=O ZINC000840949672 847675795 /nfs/dbraw/zinc/67/57/95/847675795.db2.gz AKQBLMLJJOGXOI-CQSZACIVSA-N 0 3 261.369 1.511 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)C(C)(C)C ZINC000877022308 847956653 /nfs/dbraw/zinc/95/66/53/847956653.db2.gz TXSLICXFYHFHLJ-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN Cc1cc(CN2CC[C@@H](F)[C@H](O)C2)ccc1N(C)C ZINC001139669572 936320063 /nfs/dbraw/zinc/32/00/63/936320063.db2.gz BEDUQKCRELTIOH-UKRRQHHQSA-N 0 3 266.360 1.966 20 10 CDCDHN O=C1N=CNC(=O)C1CN1CCc2cccc(O)c2C1 ZINC001140473301 936713627 /nfs/dbraw/zinc/71/36/27/936713627.db2.gz VLUZOPMYUNVOAC-UHFFFAOYSA-N 0 3 273.292 1.152 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])S(C)(=O)=O ZINC000697579639 937283743 /nfs/dbraw/zinc/28/37/43/937283743.db2.gz HGDDKYOEGOTNFJ-BDAKNGLRSA-N 0 3 275.345 1.615 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000697579641 937284173 /nfs/dbraw/zinc/28/41/73/937284173.db2.gz HGDDKYOEGOTNFJ-DTWKUNHWSA-N 0 3 275.345 1.615 20 10 CDCDHN CC(C)[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144515603 931880356 /nfs/dbraw/zinc/88/03/56/931880356.db2.gz SBCCUJXLNMEAER-AWEZNQCLSA-N 0 3 267.325 1.660 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000795581239 934880461 /nfs/dbraw/zinc/88/04/61/934880461.db2.gz GSIKJWVKZDNSRI-UONOGXRCSA-N 0 3 295.379 1.526 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001203635446 939699080 /nfs/dbraw/zinc/69/90/80/939699080.db2.gz VEKJDWYGPCRMTB-ZDUSSCGKSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1ccc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001203635446 939699082 /nfs/dbraw/zinc/69/90/82/939699082.db2.gz VEKJDWYGPCRMTB-ZDUSSCGKSA-N 0 3 290.363 1.598 20 10 CDCDHN COCCCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882558 939711536 /nfs/dbraw/zinc/71/15/36/939711536.db2.gz LMJPHYCKBPTUHC-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001204276977 939751006 /nfs/dbraw/zinc/75/10/06/939751006.db2.gz UVYQGWNRBBYNMZ-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001204276977 939751011 /nfs/dbraw/zinc/75/10/11/939751011.db2.gz UVYQGWNRBBYNMZ-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(C(=O)[O-])cc1O ZINC001205076778 939820458 /nfs/dbraw/zinc/82/04/58/939820458.db2.gz VXDXARAQBBEMJI-CABZTGNLSA-N 0 3 264.325 1.402 20 10 CDCDHN CC1(C[NH3+])CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001206730044 940082770 /nfs/dbraw/zinc/08/27/70/940082770.db2.gz ODLMXYFRQYLHJZ-UHFFFAOYSA-N 0 3 256.733 1.532 20 10 CDCDHN [O-]c1cccc(F)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497394 941602453 /nfs/dbraw/zinc/60/24/53/941602453.db2.gz HLDNSMXIVIIMKI-KBPBESRZSA-N 0 3 279.359 1.057 20 10 CDCDHN COc1cc(CN2CCN(C(C)C)CC2)c(O)cc1O ZINC001231633928 942949260 /nfs/dbraw/zinc/94/92/60/942949260.db2.gz DSHUJHRZLHJWSP-UHFFFAOYSA-N 0 3 280.368 1.632 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c([O-])c1 ZINC001277566860 943015242 /nfs/dbraw/zinc/01/52/42/943015242.db2.gz BZSNNBIXAZEYHW-IPYPFGDCSA-N 0 3 290.363 1.165 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c([O-])c1 ZINC001277566860 943015244 /nfs/dbraw/zinc/01/52/44/943015244.db2.gz BZSNNBIXAZEYHW-IPYPFGDCSA-N 0 3 290.363 1.165 20 10 CDCDHN Cc1cc(C)c(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001231845938 943025750 /nfs/dbraw/zinc/02/57/50/943025750.db2.gz VNNNTWLXRLKOFZ-UHFFFAOYSA-N 0 3 263.337 1.958 20 10 CDCDHN CC(C)(C)OC(=O)[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253701725 952047843 /nfs/dbraw/zinc/04/78/43/952047843.db2.gz QZXAFEXZRYFDIZ-ZDUSSCGKSA-N 0 3 293.363 1.414 20 10 CDCDHN Nc1ccc(CCn2cc(-c3cnccc3N)nn2)cc1 ZINC001254081061 952187306 /nfs/dbraw/zinc/18/73/06/952187306.db2.gz JRRQWFPMTRXWOH-UHFFFAOYSA-N 0 3 280.335 1.578 20 10 CDCDHN C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CN1 ZINC001336290219 960290216 /nfs/dbraw/zinc/29/02/16/960290216.db2.gz KCUWQIFZBHBZCU-QWRGUYRKSA-N 0 3 262.357 1.161 20 10 CDCDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001575006627 1171080996 /nfs/dbraw/zinc/08/09/96/1171080996.db2.gz OZUDAHSNVFLUDO-HNNXBMFYSA-N 0 3 261.369 1.759 20 10 CDCDHN CC1(C)C[NH2+]CC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001576481348 1171434403 /nfs/dbraw/zinc/43/44/03/1171434403.db2.gz XXFNUDISEASIIX-CYBMUJFWSA-N 0 3 295.358 1.719 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000297773032 282127948 /nfs/dbraw/zinc/12/79/48/282127948.db2.gz PFNUWXVWUBWUCQ-OLZOCXBDSA-N 0 3 284.363 1.884 20 10 CDCDHN COCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551041 356547907 /nfs/dbraw/zinc/54/79/07/356547907.db2.gz ZHIREPSNSCRSLT-LBPRGKRZSA-N 0 3 282.359 1.959 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc(OC)ccc1[O-] ZINC000179825797 357224978 /nfs/dbraw/zinc/22/49/78/357224978.db2.gz IYCCBCZQWWMSSC-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(OC)ccc1[O-] ZINC000179825797 357224983 /nfs/dbraw/zinc/22/49/83/357224983.db2.gz IYCCBCZQWWMSSC-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000180865311 357291280 /nfs/dbraw/zinc/29/12/80/357291280.db2.gz SJOGUTFUZKKDHW-GHMZBOCLSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000180865311 357291284 /nfs/dbraw/zinc/29/12/84/357291284.db2.gz SJOGUTFUZKKDHW-GHMZBOCLSA-N 0 3 281.352 1.612 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000185365680 357536572 /nfs/dbraw/zinc/53/65/72/357536572.db2.gz ZUXPYOCBWWVITQ-CABCVRRESA-N 0 3 291.439 1.987 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000113339467 359395333 /nfs/dbraw/zinc/39/53/33/359395333.db2.gz LXGUQINMKCPYBH-GFCCVEGCSA-N 0 3 297.830 1.771 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CO)CCOCC1)CC2 ZINC000296973732 200050411 /nfs/dbraw/zinc/05/04/11/200050411.db2.gz RRZHQMNPEWDRKR-CYBMUJFWSA-N 0 3 277.364 1.758 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)CC2 ZINC000297193899 200110959 /nfs/dbraw/zinc/11/09/59/200110959.db2.gz FOZHBGDDIRMHIB-GJZGRUSLSA-N 0 3 290.407 1.816 20 10 CDCDHN Cc1ccc(O)c([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000273446749 365497109 /nfs/dbraw/zinc/49/71/09/365497109.db2.gz FHFLNNQUPSIKTH-FZMZJTMJSA-N 0 3 275.352 1.818 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281239580 367611504 /nfs/dbraw/zinc/61/15/04/367611504.db2.gz LPRGOTFVPDDQMR-YPMHNXCESA-N 0 3 292.335 1.331 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281239580 367611509 /nfs/dbraw/zinc/61/15/09/367611509.db2.gz LPRGOTFVPDDQMR-YPMHNXCESA-N 0 3 292.335 1.331 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281239580 367611515 /nfs/dbraw/zinc/61/15/15/367611515.db2.gz LPRGOTFVPDDQMR-YPMHNXCESA-N 0 3 292.335 1.331 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(C)cc1[O-] ZINC000530222523 368150754 /nfs/dbraw/zinc/15/07/54/368150754.db2.gz FZOPDYZHXIIFOK-JSGCOSHPSA-N 0 3 264.369 1.730 20 10 CDCDHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000287929875 369354023 /nfs/dbraw/zinc/35/40/23/369354023.db2.gz DRFCOMAFIWTNJK-ZDUSSCGKSA-N 0 3 292.427 1.844 20 10 CDCDHN CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295118779 371132694 /nfs/dbraw/zinc/13/26/94/371132694.db2.gz MVLBXJJXDMTCEO-GFCCVEGCSA-N 0 3 264.325 1.665 20 10 CDCDHN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295118779 371132700 /nfs/dbraw/zinc/13/27/00/371132700.db2.gz MVLBXJJXDMTCEO-GFCCVEGCSA-N 0 3 264.325 1.665 20 10 CDCDHN Cc1cccc(C[NH2+]CCNC(=O)C(C)C)c1[O-] ZINC000124663808 374829257 /nfs/dbraw/zinc/82/92/57/374829257.db2.gz NNLXZUYDQAIDHT-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000106857954 390557843 /nfs/dbraw/zinc/55/78/43/390557843.db2.gz OBCLBZROEQRQCR-JTQLQIEISA-N 0 3 251.282 1.342 20 10 CDCDHN COc1cccc(C[NH2+]CCC(=O)N2CCCCC2)c1[O-] ZINC000134492228 393264338 /nfs/dbraw/zinc/26/43/38/393264338.db2.gz FHWOFXKCMHSJLQ-UHFFFAOYSA-N 0 3 292.379 1.893 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@](C)(O)CSC)c1[O-] ZINC000120633761 412407666 /nfs/dbraw/zinc/40/76/66/412407666.db2.gz JUMGRYBATWGEBL-CYBMUJFWSA-N 0 3 271.382 1.604 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c1 ZINC000035628823 172308511 /nfs/dbraw/zinc/30/85/11/172308511.db2.gz AVNHYHJETDHXTC-OAHLLOKOSA-N 0 3 291.439 1.989 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082637 174091999 /nfs/dbraw/zinc/09/19/99/174091999.db2.gz FHBGCKWSUQTKMO-WDEREUQCSA-N 0 3 269.366 1.478 20 10 CDCDHN CC(C)[NH+](CCNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000126199270 260346973 /nfs/dbraw/zinc/34/69/73/260346973.db2.gz HIOTUHTUQQPKFF-UHFFFAOYSA-N 0 3 280.368 1.946 20 10 CDCDHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C1CC1 ZINC000105488052 261359605 /nfs/dbraw/zinc/35/96/05/261359605.db2.gz SFXJSOLNPDBJEG-JTQLQIEISA-N 0 3 278.352 1.693 20 10 CDCDHN Nc1ccc(CCNC(=O)C[C@H]2CSCCN2)cc1 ZINC000131014434 264365759 /nfs/dbraw/zinc/36/57/59/264365759.db2.gz PWGNOOFMSVJWMT-ZDUSSCGKSA-N 0 3 279.409 1.023 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000377275582 268063020 /nfs/dbraw/zinc/06/30/20/268063020.db2.gz AKQRPADTWJMQMQ-ZDUSSCGKSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000377275582 268063021 /nfs/dbraw/zinc/06/30/21/268063021.db2.gz AKQRPADTWJMQMQ-ZDUSSCGKSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000185869271 327848638 /nfs/dbraw/zinc/84/86/38/327848638.db2.gz IUEAQLVZZMIHIQ-HNNXBMFYSA-N 0 3 291.439 1.816 20 10 CDCDHN Cc1cccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273734618 328206161 /nfs/dbraw/zinc/20/61/61/328206161.db2.gz KVUDUDAQSNXWQA-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273734618 328206163 /nfs/dbraw/zinc/20/61/63/328206163.db2.gz KVUDUDAQSNXWQA-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273734618 328206165 /nfs/dbraw/zinc/20/61/65/328206165.db2.gz KVUDUDAQSNXWQA-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378452021 329050897 /nfs/dbraw/zinc/05/08/97/329050897.db2.gz FYQFHEABFRCLSC-CZUORRHYSA-N 0 3 293.363 1.829 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378452016 329051002 /nfs/dbraw/zinc/05/10/02/329051002.db2.gz FYQFHEABFRCLSC-BBRMVZONSA-N 0 3 293.363 1.829 20 10 CDCDHN CC(C)(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269267050 519295394 /nfs/dbraw/zinc/29/53/94/519295394.db2.gz ZRQWOFIRMKUGMW-UHFFFAOYSA-N 0 3 261.369 1.640 20 10 CDCDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000279907010 519553296 /nfs/dbraw/zinc/55/32/96/519553296.db2.gz WKOOZCJJUYZZBH-GFCCVEGCSA-N 0 3 280.343 1.879 20 10 CDCDHN CCN(CC)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 ZINC000289709451 520891302 /nfs/dbraw/zinc/89/13/02/520891302.db2.gz OUYSHVFMGPUAIX-HZPDHXFCSA-N 0 3 278.396 1.724 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280562086 521146803 /nfs/dbraw/zinc/14/68/03/521146803.db2.gz VABMWFLWWSLMPB-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280562086 521146814 /nfs/dbraw/zinc/14/68/14/521146814.db2.gz VABMWFLWWSLMPB-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2COC[C@@H]2OC)c1 ZINC000289895409 521155529 /nfs/dbraw/zinc/15/55/29/521155529.db2.gz SXJMEWMJHFMENO-JSGCOSHPSA-N 0 3 267.325 1.294 20 10 CDCDHN CCNC(=O)[C@@H](NCc1cccc(OC)c1O)C(C)C ZINC000292844234 521744457 /nfs/dbraw/zinc/74/44/57/521744457.db2.gz BJWZAYNFHMSXLQ-ZDUSSCGKSA-N 0 3 280.368 1.651 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](CO)C2)cc1F ZINC000127220185 522179574 /nfs/dbraw/zinc/17/95/74/522179574.db2.gz HQSKXIHJWGNCDY-GFCCVEGCSA-N 0 3 252.333 1.706 20 10 CDCDHN COC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@H]1CCCO1 ZINC000279386539 522750079 /nfs/dbraw/zinc/75/00/79/522750079.db2.gz JVKSHXKHLAFBAH-UONOGXRCSA-N 0 3 265.353 1.984 20 10 CDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000278707124 524037657 /nfs/dbraw/zinc/03/76/57/524037657.db2.gz OHUYZHIQRQCOMO-ZFWWWQNUSA-N 0 3 295.379 1.238 20 10 CDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000278707124 524037661 /nfs/dbraw/zinc/03/76/61/524037661.db2.gz OHUYZHIQRQCOMO-ZFWWWQNUSA-N 0 3 295.379 1.238 20 10 CDCDHN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(=O)n1C ZINC000278674373 524583426 /nfs/dbraw/zinc/58/34/26/524583426.db2.gz HOGMBMFIOJPZMH-UHFFFAOYSA-N 0 3 284.359 1.918 20 10 CDCDHN C[C@H](NCCOCCO)c1ccc(N(C)C)cc1 ZINC000037239920 525358764 /nfs/dbraw/zinc/35/87/64/525358764.db2.gz YNWAPLWXMJABFH-LBPRGKRZSA-N 0 3 252.358 1.412 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)ccc1[O-] ZINC000094618240 525505911 /nfs/dbraw/zinc/50/59/11/525505911.db2.gz DDGDQEYVHYGYTN-YPMHNXCESA-N 0 3 281.375 1.428 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000770383456 575443378 /nfs/dbraw/zinc/44/33/78/575443378.db2.gz VLBWQODCJMEJTG-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000770383456 575443382 /nfs/dbraw/zinc/44/33/82/575443382.db2.gz VLBWQODCJMEJTG-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@@H]1O ZINC000770380816 575475622 /nfs/dbraw/zinc/47/56/22/575475622.db2.gz NPVFPINRFOTTPU-MFKMUULPSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@@H]1O ZINC000770380816 575475624 /nfs/dbraw/zinc/47/56/24/575475624.db2.gz NPVFPINRFOTTPU-MFKMUULPSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCOCCO)c2c1c(F)ccc2[O-] ZINC000756360800 575794005 /nfs/dbraw/zinc/79/40/05/575794005.db2.gz DZJQJJDRAAUMPI-MWLCHTKSSA-N 0 3 269.316 1.678 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@]2(OC)CCOC2)cc1OC ZINC000764681727 575933710 /nfs/dbraw/zinc/93/37/10/575933710.db2.gz HPJAZJULMOJVPA-OAHLLOKOSA-N 0 3 297.351 1.305 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC000768183150 576263060 /nfs/dbraw/zinc/26/30/60/576263060.db2.gz MSEWCBOGCGXBGM-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COCCC[N@H+](CCOC)Cc1c([O-])cccc1OC ZINC000768936368 576318647 /nfs/dbraw/zinc/31/86/47/576318647.db2.gz JWIWDZFHZPFTDD-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN COCCC[N@@H+](CCOC)Cc1c([O-])cccc1OC ZINC000768936368 576318648 /nfs/dbraw/zinc/31/86/48/576318648.db2.gz JWIWDZFHZPFTDD-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000762787629 576672211 /nfs/dbraw/zinc/67/22/11/576672211.db2.gz MXKLMPVKGIOCSM-XAGWURHQSA-N 0 3 294.370 1.736 20 10 CDCDHN CO[C@@]1(CNCc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000763481005 576738979 /nfs/dbraw/zinc/73/89/79/576738979.db2.gz RTDFIKKJCWMYPH-OAHLLOKOSA-N 0 3 282.359 1.787 20 10 CDCDHN NC(=O)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000758143120 577075121 /nfs/dbraw/zinc/07/51/21/577075121.db2.gz DVRWSKWOTVIJFS-INIZCTEOSA-N 0 3 296.370 1.808 20 10 CDCDHN COc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)c(O)c1OC ZINC000893668986 617818550 /nfs/dbraw/zinc/81/85/50/617818550.db2.gz JGGHFSJALJQDCU-VXGBXAGGSA-N 0 3 294.395 1.934 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822502956 618548805 /nfs/dbraw/zinc/54/88/05/618548805.db2.gz BIIUKJUPZZWMIW-LBPRGKRZSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822502956 618548812 /nfs/dbraw/zinc/54/88/12/618548812.db2.gz BIIUKJUPZZWMIW-LBPRGKRZSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000822504536 618549960 /nfs/dbraw/zinc/54/99/60/618549960.db2.gz UIHFXZGGMHXVHP-NXEZZACHSA-N 0 3 257.717 1.667 20 10 CDCDHN COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000894213178 618729128 /nfs/dbraw/zinc/72/91/28/618729128.db2.gz LYRYNJUNQRHXTB-ONGXEEELSA-N 0 3 271.263 1.536 20 10 CDCDHN COc1cc(C)cc(CNCC(=O)NCC2CC2)c1O ZINC000894420163 618878607 /nfs/dbraw/zinc/87/86/07/618878607.db2.gz KNKHEQHAMVRRQM-UHFFFAOYSA-N 0 3 278.352 1.325 20 10 CDCDHN COc1ccc(CN[C@H]2C(=O)NCC2(C)C)c(O)c1OC ZINC000895434465 619660756 /nfs/dbraw/zinc/66/07/56/619660756.db2.gz VXMQSGRWMUGKMY-ZDUSSCGKSA-N 0 3 294.351 1.024 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895746850 619821916 /nfs/dbraw/zinc/82/19/16/619821916.db2.gz GMUCAVSUGPEQNM-OLZOCXBDSA-N 0 3 269.316 1.551 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC000897683774 621072170 /nfs/dbraw/zinc/07/21/70/621072170.db2.gz GSFIXDFUNKRKEH-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC000897683774 621072173 /nfs/dbraw/zinc/07/21/73/621072173.db2.gz GSFIXDFUNKRKEH-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000151545521 630693914 /nfs/dbraw/zinc/69/39/14/630693914.db2.gz VVPBQCRJXXCFNT-MFKMUULPSA-N 0 3 280.368 1.918 20 10 CDCDHN C[C@H]([NH3+])[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132625589 697694028 /nfs/dbraw/zinc/69/40/28/697694028.db2.gz GMZRGJMKAGHYHO-ZANVPECISA-N 0 3 270.760 1.594 20 10 CDCDHN CCOc1cccc(CNC[C@@H](O)C(F)(F)F)c1O ZINC000227439462 698003704 /nfs/dbraw/zinc/00/37/04/698003704.db2.gz GOFLEQABAZLRHX-SNVBAGLBSA-N 0 3 279.258 1.804 20 10 CDCDHN COc1cccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075126 698057597 /nfs/dbraw/zinc/05/75/97/698057597.db2.gz VTSQJZXWEINURO-QWHCGFSZSA-N 0 3 290.363 1.644 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1ccc(C)cc1[O-] ZINC000877500603 698110351 /nfs/dbraw/zinc/11/03/51/698110351.db2.gz VIEAYLJWUDONAO-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1ccc(C)cc1[O-] ZINC000877500603 698110363 /nfs/dbraw/zinc/11/03/63/698110363.db2.gz VIEAYLJWUDONAO-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)CS(C)(=O)=O ZINC000775396433 698315471 /nfs/dbraw/zinc/31/54/71/698315471.db2.gz WQYSDNWCEADKQI-GFCCVEGCSA-N 0 3 284.425 1.584 20 10 CDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817896703 698333418 /nfs/dbraw/zinc/33/34/18/698333418.db2.gz QBZDZQXVJHIJGW-CABCVRRESA-N 0 3 291.395 1.136 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000220220295 698987220 /nfs/dbraw/zinc/98/72/20/698987220.db2.gz PPLJFYMCVZVDHQ-QWRGUYRKSA-N 0 3 297.196 1.806 20 10 CDCDHN CNC(=O)C1(NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000887089580 699007935 /nfs/dbraw/zinc/00/79/35/699007935.db2.gz IWNPBSLGEUEHEV-UHFFFAOYSA-N 0 3 291.395 1.137 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876995182 704957675 /nfs/dbraw/zinc/95/76/75/704957675.db2.gz BJHWXCVJFUEJIT-UHFFFAOYSA-N 0 3 252.358 1.368 20 10 CDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877049972 705062284 /nfs/dbraw/zinc/06/22/84/705062284.db2.gz WMLSAADOCAYHRS-GWCFXTLKSA-N 0 3 255.383 1.903 20 10 CDCDHN CCN(CC)c1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000858352547 705226906 /nfs/dbraw/zinc/22/69/06/705226906.db2.gz BJZIPCBUMURIJI-UHFFFAOYSA-N 0 3 287.371 1.494 20 10 CDCDHN COCC1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000839143507 848174032 /nfs/dbraw/zinc/17/40/32/848174032.db2.gz NTCMQKSCJQAZJD-UHFFFAOYSA-N 0 3 296.323 1.777 20 10 CDCDHN COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000839143507 848174035 /nfs/dbraw/zinc/17/40/35/848174035.db2.gz NTCMQKSCJQAZJD-UHFFFAOYSA-N 0 3 296.323 1.777 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817412268 848303916 /nfs/dbraw/zinc/30/39/16/848303916.db2.gz HMOXKOWUZKHURU-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817412268 848303925 /nfs/dbraw/zinc/30/39/25/848303925.db2.gz HMOXKOWUZKHURU-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)CO ZINC000827700245 848469456 /nfs/dbraw/zinc/46/94/56/848469456.db2.gz QTMRAKFJFMXELJ-QMTHXVAHSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)CO ZINC000827700245 848469461 /nfs/dbraw/zinc/46/94/61/848469461.db2.gz QTMRAKFJFMXELJ-QMTHXVAHSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775137039 848523935 /nfs/dbraw/zinc/52/39/35/848523935.db2.gz QOYDMRARHJJPFB-DGCLKSJQSA-N 0 3 265.353 1.830 20 10 CDCDHN C[NH2+][C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843348603 849271212 /nfs/dbraw/zinc/27/12/12/849271212.db2.gz SMVXNCFGHUSTJM-CYBMUJFWSA-N 0 3 280.343 1.918 20 10 CDCDHN CC[C@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270811 849459447 /nfs/dbraw/zinc/45/94/47/849459447.db2.gz AFIFCUUBWUTEEL-ZDUSSCGKSA-N 0 3 259.357 1.802 20 10 CDCDHN Cc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)c([O-])c1 ZINC000877086765 849592093 /nfs/dbraw/zinc/59/20/93/849592093.db2.gz AKAPUYBZPPAFPK-CQSZACIVSA-N 0 3 265.353 1.986 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)C2)c1[O-] ZINC000842473402 849690860 /nfs/dbraw/zinc/69/08/60/849690860.db2.gz DBQCYEZIKOOCOF-VIFPVBQESA-N 0 3 266.316 1.528 20 10 CDCDHN COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876810480 849866134 /nfs/dbraw/zinc/86/61/34/849866134.db2.gz VWLZPSNJQVTEJU-OAHLLOKOSA-N 0 3 293.363 1.447 20 10 CDCDHN CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877090124 850117143 /nfs/dbraw/zinc/11/71/43/850117143.db2.gz RTVBGAVWCAHZHP-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2c(C)cccc2O)C1 ZINC000877174166 850177046 /nfs/dbraw/zinc/17/70/46/850177046.db2.gz BAUKZUOFTQIULB-GFCCVEGCSA-N 0 3 298.408 1.214 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000877657136 850194753 /nfs/dbraw/zinc/19/47/53/850194753.db2.gz WPSWZYKVVHUHSA-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000877657136 850194738 /nfs/dbraw/zinc/19/47/38/850194738.db2.gz WPSWZYKVVHUHSA-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000710363607 850272385 /nfs/dbraw/zinc/27/23/85/850272385.db2.gz GIBOKYVAYCZPOI-JTQLQIEISA-N 0 3 278.352 1.700 20 10 CDCDHN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000710363607 850272392 /nfs/dbraw/zinc/27/23/92/850272392.db2.gz GIBOKYVAYCZPOI-JTQLQIEISA-N 0 3 278.352 1.700 20 10 CDCDHN C[C@H]([NH2+]CCNc1cnccn1)c1ccccc1[O-] ZINC000783521420 850447704 /nfs/dbraw/zinc/44/77/04/850447704.db2.gz XEGXTQFVGZVAEE-NSHDSACASA-N 0 3 258.325 1.945 20 10 CDCDHN COC(CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000162328405 898578511 /nfs/dbraw/zinc/57/85/11/898578511.db2.gz ULDJHNQKSPHMFW-CYBMUJFWSA-N 0 3 294.395 1.793 20 10 CDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1O ZINC001204277309 916573223 /nfs/dbraw/zinc/57/32/23/916573223.db2.gz YPURRBAJSGGWNH-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1O ZINC001204277309 916573242 /nfs/dbraw/zinc/57/32/42/916573242.db2.gz YPURRBAJSGGWNH-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203621258 919680735 /nfs/dbraw/zinc/68/07/35/919680735.db2.gz QKWFFCOJFMJHRU-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203621258 919680740 /nfs/dbraw/zinc/68/07/40/919680740.db2.gz QKWFFCOJFMJHRU-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CN(C)C1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282546 936697372 /nfs/dbraw/zinc/69/73/72/936697372.db2.gz DGMGUGWFFZDNCV-UHFFFAOYSA-N 0 3 289.423 1.394 20 10 CDCDHN CN(C)C1CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660667 936736699 /nfs/dbraw/zinc/73/66/99/936736699.db2.gz ZVQRINGGTLSPDF-UHFFFAOYSA-N 0 3 293.386 1.408 20 10 CDCDHN COC(=O)N1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137833100 922547631 /nfs/dbraw/zinc/54/76/31/922547631.db2.gz SNTQOYMIBQIJTM-UHFFFAOYSA-N 0 3 282.315 1.805 20 10 CDCDHN COC(=O)N1CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137833100 922547642 /nfs/dbraw/zinc/54/76/42/922547642.db2.gz SNTQOYMIBQIJTM-UHFFFAOYSA-N 0 3 282.315 1.805 20 10 CDCDHN CC(=O)N1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169559206 928173304 /nfs/dbraw/zinc/17/33/04/928173304.db2.gz DWZDHCWRCWUDPW-ZDUSSCGKSA-N 0 3 260.337 1.371 20 10 CDCDHN CC(=O)N1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169559206 928173309 /nfs/dbraw/zinc/17/33/09/928173309.db2.gz DWZDHCWRCWUDPW-ZDUSSCGKSA-N 0 3 260.337 1.371 20 10 CDCDHN CC(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCN1 ZINC000856489760 928607251 /nfs/dbraw/zinc/60/72/51/928607251.db2.gz QSHZZQLPUKZXPQ-JTQLQIEISA-N 0 3 254.355 1.524 20 10 CDCDHN CCC[NH+]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC001148219228 932670297 /nfs/dbraw/zinc/67/02/97/932670297.db2.gz XPCBDZLEXPAADU-RYUDHWBXSA-N 0 3 290.363 1.512 20 10 CDCDHN CN1CCN(c2ccc(CNC3CSC3)cc2F)CC1 ZINC001120043046 937776439 /nfs/dbraw/zinc/77/64/39/937776439.db2.gz FHPZXPTYUDKCHF-UHFFFAOYSA-N 0 3 295.427 1.783 20 10 CDCDHN CCOCCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001120371073 937795883 /nfs/dbraw/zinc/79/58/83/937795883.db2.gz OPHOXAXVXXBFNC-UHFFFAOYSA-N 0 3 263.385 1.423 20 10 CDCDHN CCN(CC)CC(=O)NCc1c(O)cccc1O ZINC001156880786 938428337 /nfs/dbraw/zinc/42/83/37/938428337.db2.gz AWSCKERQZKGILC-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN NC(C(=O)N1CCc2cccc(O)c2C1)C(F)(F)F ZINC001160871894 938835060 /nfs/dbraw/zinc/83/50/60/938835060.db2.gz AXVLSPPEDDCING-JTQLQIEISA-N 0 3 274.242 1.167 20 10 CDCDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001203551770 939692584 /nfs/dbraw/zinc/69/25/84/939692584.db2.gz NANOJJAFOYJOHK-MRXNPFEDSA-N 0 3 274.364 1.979 20 10 CDCDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001203551770 939692587 /nfs/dbraw/zinc/69/25/87/939692587.db2.gz NANOJJAFOYJOHK-MRXNPFEDSA-N 0 3 274.364 1.979 20 10 CDCDHN CN(C)C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560642 939693313 /nfs/dbraw/zinc/69/33/13/939693313.db2.gz FADMVAIHTFNPEC-UHFFFAOYSA-N 0 3 277.368 1.628 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001203635445 939698759 /nfs/dbraw/zinc/69/87/59/939698759.db2.gz VEKJDWYGPCRMTB-CYBMUJFWSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1ccc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001203635445 939698761 /nfs/dbraw/zinc/69/87/61/939698761.db2.gz VEKJDWYGPCRMTB-CYBMUJFWSA-N 0 3 290.363 1.598 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(OC)cc1O ZINC001203635127 939698973 /nfs/dbraw/zinc/69/89/73/939698973.db2.gz KKWQAXZRRHMHPJ-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(O)c(O)c1 ZINC001203877445 939711018 /nfs/dbraw/zinc/71/10/18/939711018.db2.gz GJCVWYCILBPFNT-WDEREUQCSA-N 0 3 250.342 1.622 20 10 CDCDHN C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccccc1[O-] ZINC000405384249 940986431 /nfs/dbraw/zinc/98/64/31/940986431.db2.gz IYGLFNCHMBFYCU-SNVBAGLBSA-N 0 3 262.309 1.192 20 10 CDCDHN O=C1CCCN1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000405485353 940990182 /nfs/dbraw/zinc/99/01/82/940990182.db2.gz LNHUIXWNGGRWQV-UHFFFAOYSA-N 0 3 252.289 1.243 20 10 CDCDHN [NH3+]C1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001220212836 941424188 /nfs/dbraw/zinc/42/41/88/941424188.db2.gz YIYWUNXDDKFRBC-UHFFFAOYSA-N 0 3 291.738 1.701 20 10 CDCDHN Cc1cccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001231593732 942939288 /nfs/dbraw/zinc/93/92/88/942939288.db2.gz LPKNMEQYCUHLOK-CQSZACIVSA-N 0 3 276.380 1.606 20 10 CDCDHN COc1cc(CN2CCCO[C@@H](C)C2)c(O)cc1O ZINC001231634485 942948920 /nfs/dbraw/zinc/94/89/20/942948920.db2.gz NWMBELDTSXECMU-JTQLQIEISA-N 0 3 267.325 1.717 20 10 CDCDHN C[C@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010888 943462336 /nfs/dbraw/zinc/46/23/36/943462336.db2.gz WKSJYBQCDRRVMR-ZUZCIYMTSA-N 0 3 281.352 1.786 20 10 CDCDHN Oc1cc(O)c(CN2CC(N3CCCCC3)C2)cc1O ZINC001233486270 943593867 /nfs/dbraw/zinc/59/38/67/943593867.db2.gz GCNDZUZKUAFPFV-UHFFFAOYSA-N 0 3 278.352 1.474 20 10 CDCDHN N[C@]12CC[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984639 944349478 /nfs/dbraw/zinc/34/94/78/944349478.db2.gz ABDJINIXDHPFSP-FZMZJTMJSA-N 0 3 262.309 1.014 20 10 CDCDHN N[C@]12CC[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984639 944349488 /nfs/dbraw/zinc/34/94/88/944349488.db2.gz ABDJINIXDHPFSP-FZMZJTMJSA-N 0 3 262.309 1.014 20 10 CDCDHN CCc1ccc(C[NH+]2CCC(NC(=O)NC)CC2)c([O-])c1 ZINC001236787146 944568421 /nfs/dbraw/zinc/56/84/21/944568421.db2.gz GYQLOFLXZSKACX-UHFFFAOYSA-N 0 3 291.395 1.848 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001237039737 944642637 /nfs/dbraw/zinc/64/26/37/944642637.db2.gz AWGZIGILTHLECJ-OCCSQVGLSA-N 0 3 290.363 1.311 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001237039737 944642643 /nfs/dbraw/zinc/64/26/43/944642643.db2.gz AWGZIGILTHLECJ-OCCSQVGLSA-N 0 3 290.363 1.311 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237484711 944812099 /nfs/dbraw/zinc/81/20/99/944812099.db2.gz IAXPTFADBDZSCO-LRDDRELGSA-N 0 3 291.347 1.322 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237484711 944812103 /nfs/dbraw/zinc/81/21/03/944812103.db2.gz IAXPTFADBDZSCO-LRDDRELGSA-N 0 3 291.347 1.322 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(OC)cc(OC)c1O ZINC001237685965 944925942 /nfs/dbraw/zinc/92/59/42/944925942.db2.gz VWDMSSHWCIPJSU-STQMWFEESA-N 0 3 292.379 1.688 20 10 CDCDHN OC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935179 945010884 /nfs/dbraw/zinc/01/08/84/945010884.db2.gz RAOLDPFPELUUKD-CABZTGNLSA-N 0 3 289.734 1.360 20 10 CDCDHN Cc1cc(F)cc(CN2CCN3CC[C@H]3C2)c1O ZINC001238066544 945047712 /nfs/dbraw/zinc/04/77/12/945047712.db2.gz MMJSQOFKZHSTHU-ZDUSSCGKSA-N 0 3 250.317 1.730 20 10 CDCDHN Cc1ccc(C)c(CN2CC[C@H]3C[C@]32C(N)=O)c1O ZINC001278354980 946925925 /nfs/dbraw/zinc/92/59/25/946925925.db2.gz RLNKKPFSOOMBQD-XHDPSFHLSA-N 0 3 260.337 1.459 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001249172459 949440397 /nfs/dbraw/zinc/44/03/97/949440397.db2.gz MTEOJDWBWCMPJK-TZMCWYRMSA-N 0 3 297.326 1.012 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001249172459 949440408 /nfs/dbraw/zinc/44/04/08/949440408.db2.gz MTEOJDWBWCMPJK-TZMCWYRMSA-N 0 3 297.326 1.012 20 10 CDCDHN Oc1ccc(CNC[C@H](O)COc2ccccc2)cc1O ZINC001251243416 950670677 /nfs/dbraw/zinc/67/06/77/950670677.db2.gz QEZAOJADOQSKAR-ZDUSSCGKSA-N 0 3 289.331 1.627 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC001251238727 950673577 /nfs/dbraw/zinc/67/35/77/950673577.db2.gz AWUQMCXMMMGIOM-AWEZNQCLSA-N 0 3 289.331 1.627 20 10 CDCDHN CCCCOC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252529406 951413072 /nfs/dbraw/zinc/41/30/72/951413072.db2.gz GVBBDCIZFBHHEL-CYBMUJFWSA-N 0 3 269.341 1.365 20 10 CDCDHN CC(C)OC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252679944 951567575 /nfs/dbraw/zinc/56/75/75/951567575.db2.gz JHBQADIMKBFQRJ-CYBMUJFWSA-N 0 3 265.353 1.536 20 10 CDCDHN CC(C)OC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252679944 951567586 /nfs/dbraw/zinc/56/75/86/951567586.db2.gz JHBQADIMKBFQRJ-CYBMUJFWSA-N 0 3 265.353 1.536 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CC3)C2=O)c1 ZINC001320609731 959273031 /nfs/dbraw/zinc/27/30/31/959273031.db2.gz JXVMIYVTHZZUTC-IINYFYTJSA-N 0 3 290.363 1.815 20 10 CDCDHN COc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000295116718 199354165 /nfs/dbraw/zinc/35/41/65/199354165.db2.gz MNGLCUSZKWJWEW-CQSZACIVSA-N 0 3 294.395 1.337 20 10 CDCDHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000293947000 358508636 /nfs/dbraw/zinc/50/86/36/358508636.db2.gz ORTSMZORSGEZIE-KWQFWETISA-N 0 3 273.329 1.197 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NC(C)C)c1 ZINC000036781648 356883564 /nfs/dbraw/zinc/88/35/64/356883564.db2.gz LLUAXVMNISNGSU-LLVKDONJSA-N 0 3 250.342 1.876 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c([O-])c1 ZINC000036793763 356884590 /nfs/dbraw/zinc/88/45/90/356884590.db2.gz DWEHATMDEKGMDI-QWRGUYRKSA-N 0 3 250.342 1.828 20 10 CDCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@H]2O)cc1 ZINC000296044861 199764088 /nfs/dbraw/zinc/76/40/88/199764088.db2.gz USIDXHGKFDBKAN-NILFDRSVSA-N 0 3 264.369 1.553 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000083460766 358207196 /nfs/dbraw/zinc/20/71/96/358207196.db2.gz VIOWWKZRCALZCL-UHFFFAOYSA-N 0 3 263.385 1.886 20 10 CDCDHN CCOc1cccc(CN(C)CCNC(=O)C(C)C)c1O ZINC000092104007 358538916 /nfs/dbraw/zinc/53/89/16/358538916.db2.gz PRCPULBDFJPEJU-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185179728 358776899 /nfs/dbraw/zinc/77/68/99/358776899.db2.gz FVRIRJUWCGBRBI-ZETCQYMHSA-N 0 3 294.248 1.860 20 10 CDCDHN COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000037982774 359465010 /nfs/dbraw/zinc/46/50/10/359465010.db2.gz LZAXSJJAODTHMA-ZDUSSCGKSA-N 0 3 283.393 1.528 20 10 CDCDHN Cc1cccc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000224812820 360290962 /nfs/dbraw/zinc/29/09/62/360290962.db2.gz LTAOIZLROJVXOJ-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCN1CCSCC1)OCO2 ZINC000226247239 360357586 /nfs/dbraw/zinc/35/75/86/360357586.db2.gz RJSXTLLUFXNMEP-UHFFFAOYSA-N 0 3 296.392 1.259 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271101018 364922377 /nfs/dbraw/zinc/92/23/77/364922377.db2.gz PEKWDJWRILANBO-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271101018 364922381 /nfs/dbraw/zinc/92/23/81/364922381.db2.gz PEKWDJWRILANBO-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182210777 365074605 /nfs/dbraw/zinc/07/46/05/365074605.db2.gz MLZZQODQWBUNEN-CQSZACIVSA-N 0 3 269.341 1.278 20 10 CDCDHN C[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000171936889 365433601 /nfs/dbraw/zinc/43/36/01/365433601.db2.gz YSONXDPKMKUAMB-UHFFFAOYSA-N 0 3 250.342 1.156 20 10 CDCDHN C[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000171936889 365433603 /nfs/dbraw/zinc/43/36/03/365433603.db2.gz YSONXDPKMKUAMB-UHFFFAOYSA-N 0 3 250.342 1.156 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000273584273 365510514 /nfs/dbraw/zinc/51/05/14/365510514.db2.gz NIGJHMANOVRCLA-QWHCGFSZSA-N 0 3 294.395 1.772 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCCF ZINC000282437415 367884025 /nfs/dbraw/zinc/88/40/25/367884025.db2.gz DOZMPDXZSPDZCP-DTWKUNHWSA-N 0 3 272.295 1.656 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCCF ZINC000282883811 368086312 /nfs/dbraw/zinc/08/63/12/368086312.db2.gz YSUNZUQMWKWLPM-QMMMGPOBSA-N 0 3 258.268 1.095 20 10 CDCDHN CCOc1cccc(C[N@H+](CC)CCOCCO)c1[O-] ZINC000282883299 368086680 /nfs/dbraw/zinc/08/66/80/368086680.db2.gz YQTGZFMSBYMPCZ-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1cccc(C[N@@H+](CC)CCOCCO)c1[O-] ZINC000282883299 368086686 /nfs/dbraw/zinc/08/66/86/368086686.db2.gz YQTGZFMSBYMPCZ-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN COc1cccc(CNCc2cc(C)nn2C)c1O ZINC000284104241 368479363 /nfs/dbraw/zinc/47/93/63/368479363.db2.gz WKYWBMVNNYFMJW-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284291083 368510426 /nfs/dbraw/zinc/51/04/26/368510426.db2.gz IBTIXNSQSSRBEB-UONOGXRCSA-N 0 3 278.396 1.588 20 10 CDCDHN Cc1n[nH]c(CC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000296469891 371441122 /nfs/dbraw/zinc/44/11/22/371441122.db2.gz OIBPCWFCEKMCOO-LLVKDONJSA-N 0 3 258.325 1.638 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCSC1)OCO2 ZINC000228551996 390935089 /nfs/dbraw/zinc/93/50/89/390935089.db2.gz ARSWUDKYIHFWKD-VIFPVBQESA-N 0 3 267.350 1.964 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC ZINC000174374457 391121445 /nfs/dbraw/zinc/12/14/45/391121445.db2.gz WWXTUHBGUHCBLK-LLVKDONJSA-N 0 3 293.367 1.448 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC ZINC000174374457 391121448 /nfs/dbraw/zinc/12/14/48/391121448.db2.gz WWXTUHBGUHCBLK-LLVKDONJSA-N 0 3 293.367 1.448 20 10 CDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000181564049 391224520 /nfs/dbraw/zinc/22/45/20/391224520.db2.gz APPMSNDQBILNHS-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000376412176 391229464 /nfs/dbraw/zinc/22/94/64/391229464.db2.gz HDLJYKARIUZIBJ-AAEUAGOBSA-N 0 3 290.363 1.797 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000168182022 391276115 /nfs/dbraw/zinc/27/61/15/391276115.db2.gz FVYSBMCRWXJYIB-MLCYQJTMSA-N 0 3 271.382 1.648 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1 ZINC000530227347 328718228 /nfs/dbraw/zinc/71/82/28/328718228.db2.gz SJNCFQKQEUBDPI-STQMWFEESA-N 0 3 264.369 1.648 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c([O-])c1 ZINC000038047358 174057227 /nfs/dbraw/zinc/05/72/27/174057227.db2.gz IQOSRQDXWPYXKE-LLVKDONJSA-N 0 3 271.382 1.786 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000038060609 174071318 /nfs/dbraw/zinc/07/13/18/174071318.db2.gz RLFHSVPDHPZQPY-RYUDHWBXSA-N 0 3 251.326 1.767 20 10 CDCDHN C[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000157312121 261144493 /nfs/dbraw/zinc/14/44/93/261144493.db2.gz OTJPBFAIXCMAKA-DGCLKSJQSA-N 0 3 278.352 1.247 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000184921002 262300177 /nfs/dbraw/zinc/30/01/77/262300177.db2.gz GQNBZROOVIHHQM-NSHDSACASA-N 0 3 286.397 1.291 20 10 CDCDHN CN1CCN(C)[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297704448 277103467 /nfs/dbraw/zinc/10/34/67/277103467.db2.gz MNNHOLIODUWJDY-KGLIPLIRSA-N 0 3 275.396 1.215 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278855467 327198577 /nfs/dbraw/zinc/19/85/77/327198577.db2.gz QRKQBANJTJYEED-HUBLWGQQSA-N 0 3 265.353 1.891 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1F ZINC000377847931 329031736 /nfs/dbraw/zinc/03/17/36/329031736.db2.gz RNSFWLQNYALKCM-LBPRGKRZSA-N 0 3 279.359 1.589 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000217858370 333124536 /nfs/dbraw/zinc/12/45/36/333124536.db2.gz WQYMNGBCINJMAY-CYBMUJFWSA-N 0 3 285.365 1.325 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([O-])c1O ZINC000271324423 482835391 /nfs/dbraw/zinc/83/53/91/482835391.db2.gz YBUXKGJDRPLKHW-OLZOCXBDSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([O-])c1O ZINC000271324423 482835393 /nfs/dbraw/zinc/83/53/93/482835393.db2.gz YBUXKGJDRPLKHW-OLZOCXBDSA-N 0 3 290.363 1.763 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]CC2)c1[O-] ZINC000050499151 518284129 /nfs/dbraw/zinc/28/41/29/518284129.db2.gz PTRWRFHQWKLFQO-UHFFFAOYSA-N 0 3 252.289 1.139 20 10 CDCDHN COCCN(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618132 523611782 /nfs/dbraw/zinc/61/17/82/523611782.db2.gz MBWQKLDCERATDH-LLVKDONJSA-N 0 3 270.348 1.760 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000264653341 523875256 /nfs/dbraw/zinc/87/52/56/523875256.db2.gz XLLRRLMRWYETEJ-ZDUSSCGKSA-N 0 3 280.368 1.211 20 10 CDCDHN Cc1cccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279347652 524378544 /nfs/dbraw/zinc/37/85/44/524378544.db2.gz FVMCMYABCLAEEB-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1cccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279347652 524378562 /nfs/dbraw/zinc/37/85/62/524378562.db2.gz FVMCMYABCLAEEB-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN C[C@@H](CNC(=O)NCc1ccccc1O)N(C)C1CC1 ZINC000264302476 524685296 /nfs/dbraw/zinc/68/52/96/524685296.db2.gz OIQDUOUPCOPXGK-NSHDSACASA-N 0 3 277.368 1.674 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278590056 524756184 /nfs/dbraw/zinc/75/61/84/524756184.db2.gz DUFMYDHILRGYLL-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800734 524770746 /nfs/dbraw/zinc/77/07/46/524770746.db2.gz VMARKXLLIVRCGL-QWHCGFSZSA-N 0 3 293.411 1.297 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(F)ccc1[O-] ZINC000094616924 525436985 /nfs/dbraw/zinc/43/69/85/525436985.db2.gz UUPSRNSLSFPCHA-GFCCVEGCSA-N 0 3 282.359 1.904 20 10 CDCDHN OCC(CO)NCc1ccc(N2CCCCC2)cc1 ZINC000087751248 527520573 /nfs/dbraw/zinc/52/05/73/527520573.db2.gz MTKIRTZMAUKKAZ-UHFFFAOYSA-N 0 3 264.369 1.120 20 10 CDCDHN CN1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000731115698 575034428 /nfs/dbraw/zinc/03/44/28/575034428.db2.gz GKFFXCSCXNUJBQ-LBPRGKRZSA-N 0 3 277.368 1.533 20 10 CDCDHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731871251 575067307 /nfs/dbraw/zinc/06/73/07/575067307.db2.gz HYNHZXKTSRCCFF-JTQLQIEISA-N 0 3 268.382 1.914 20 10 CDCDHN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731871251 575067308 /nfs/dbraw/zinc/06/73/08/575067308.db2.gz HYNHZXKTSRCCFF-JTQLQIEISA-N 0 3 268.382 1.914 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC000770675820 575484910 /nfs/dbraw/zinc/48/49/10/575484910.db2.gz GFNGZNWAKMVMJI-OAHLLOKOSA-N 0 3 279.336 1.594 20 10 CDCDHN CCOC(=O)C1(C[NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000770665762 575510644 /nfs/dbraw/zinc/51/06/44/575510644.db2.gz NVCNEZXDUJIKAV-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN COC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446391 576284196 /nfs/dbraw/zinc/28/41/96/576284196.db2.gz JZYYUDAOBIQNQW-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446391 576284197 /nfs/dbraw/zinc/28/41/97/576284197.db2.gz JZYYUDAOBIQNQW-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464190 576287188 /nfs/dbraw/zinc/28/71/88/576287188.db2.gz ODDPJQABKXWDNA-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464190 576287189 /nfs/dbraw/zinc/28/71/89/576287189.db2.gz ODDPJQABKXWDNA-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCSC1 ZINC000768466320 576288049 /nfs/dbraw/zinc/28/80/49/576288049.db2.gz YSXVPUUAGYEUKC-ZWNOBZJWSA-N 0 3 281.377 1.755 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCSC1 ZINC000768466320 576288050 /nfs/dbraw/zinc/28/80/50/576288050.db2.gz YSXVPUUAGYEUKC-ZWNOBZJWSA-N 0 3 281.377 1.755 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN(CC)CCO)c([O-])c1 ZINC000768946771 576319227 /nfs/dbraw/zinc/31/92/27/576319227.db2.gz VPSUVYPSZGRURX-UHFFFAOYSA-N 0 3 282.384 1.195 20 10 CDCDHN COc1ccc(CN[C@H]2CCCN(C)C2=O)c(O)c1OC ZINC000893100758 618169809 /nfs/dbraw/zinc/16/98/09/618169809.db2.gz WDTNGVZUYXXKMD-NSHDSACASA-N 0 3 294.351 1.120 20 10 CDCDHN COc1cc(C)cc(CNC[C@H](C)S(C)(=O)=O)c1O ZINC000894361590 618821245 /nfs/dbraw/zinc/82/12/45/618821245.db2.gz KDEYXAZYDQOVCG-JTQLQIEISA-N 0 3 287.381 1.232 20 10 CDCDHN COc1ccc(CNCc2cncn2C)c(O)c1OC ZINC000894531684 618944187 /nfs/dbraw/zinc/94/41/87/618944187.db2.gz LOSHJCBUVFTGHZ-UHFFFAOYSA-N 0 3 277.324 1.433 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896909254 620299449 /nfs/dbraw/zinc/29/94/49/620299449.db2.gz RUGSUXZQENAJFE-UHFFFAOYSA-N 0 3 263.337 1.943 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCCON)c2c1c(F)ccc2[O-] ZINC000902422961 624791636 /nfs/dbraw/zinc/79/16/36/624791636.db2.gz HMVOXYALIQZNKG-WPRPVWTQSA-N 0 3 254.305 1.950 20 10 CDCDHN CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCC[NH2+][C@H]21 ZINC001576384290 1171409888 /nfs/dbraw/zinc/40/98/88/1171409888.db2.gz PQCDXZGRZDPKSR-LERXQTSPSA-N 0 3 290.363 1.604 20 10 CDCDHN CCCC[C@@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001577410351 1171664306 /nfs/dbraw/zinc/66/43/06/1171664306.db2.gz AOGCWQUGBMPVBH-LLVKDONJSA-N 0 3 254.305 1.665 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)CO ZINC000827700244 710815631 /nfs/dbraw/zinc/81/56/31/710815631.db2.gz QTMRAKFJFMXELJ-IINYFYTJSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)CO ZINC000827700244 710815632 /nfs/dbraw/zinc/81/56/32/710815632.db2.gz QTMRAKFJFMXELJ-IINYFYTJSA-N 0 3 253.317 1.982 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)C2=CC(=O)CS2)CCN1 ZINC000856489761 705449630 /nfs/dbraw/zinc/44/96/30/705449630.db2.gz QSHZZQLPUKZXPQ-SNVBAGLBSA-N 0 3 254.355 1.524 20 10 CDCDHN CCN(C)c1ccc(CN(C)C[C@H]2COCCO2)cc1 ZINC000852496202 705450258 /nfs/dbraw/zinc/45/02/58/705450258.db2.gz PYFGQVLSXJEOGL-INIZCTEOSA-N 0 3 278.396 1.990 20 10 CDCDHN Cc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1 ZINC000840964536 705565958 /nfs/dbraw/zinc/56/59/58/705565958.db2.gz NILPKIGPJYKUFF-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000866498575 705603314 /nfs/dbraw/zinc/60/33/14/705603314.db2.gz ZWPFGXVJYKYULQ-JTLRNRKASA-N 0 3 281.327 1.819 20 10 CDCDHN CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794649463 705720307 /nfs/dbraw/zinc/72/03/07/705720307.db2.gz LHUMMPAFXKWLFS-GDBMZVCRSA-N 0 3 293.363 1.819 20 10 CDCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794649463 705720311 /nfs/dbraw/zinc/72/03/11/705720311.db2.gz LHUMMPAFXKWLFS-GDBMZVCRSA-N 0 3 293.363 1.819 20 10 CDCDHN COc1ccc(O)c(CNC[C@@H](O)C(F)(F)F)c1 ZINC000224554267 705732853 /nfs/dbraw/zinc/73/28/53/705732853.db2.gz QWUJFWOYJVCTTI-SNVBAGLBSA-N 0 3 265.231 1.414 20 10 CDCDHN COc1c([O-])c(CN2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047759 706060727 /nfs/dbraw/zinc/06/07/27/706060727.db2.gz SMUFYKXAEUBFAA-SNVBAGLBSA-N 0 3 295.339 1.480 20 10 CDCDHN C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126352527 709829187 /nfs/dbraw/zinc/82/91/87/709829187.db2.gz LMNDCWGFJQLEMB-SNVBAGLBSA-N 0 3 264.325 1.169 20 10 CDCDHN C[N@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126352527 709829188 /nfs/dbraw/zinc/82/91/88/709829188.db2.gz LMNDCWGFJQLEMB-SNVBAGLBSA-N 0 3 264.325 1.169 20 10 CDCDHN Cc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)c(O)c1 ZINC000876596902 710372884 /nfs/dbraw/zinc/37/28/84/710372884.db2.gz VITNDULLIPFFAH-CQSZACIVSA-N 0 3 274.364 1.944 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000843427474 710419974 /nfs/dbraw/zinc/41/99/74/710419974.db2.gz CPIHGNQFQFGDPO-HUUCEWRRSA-N 0 3 264.369 1.564 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000322527528 710484802 /nfs/dbraw/zinc/48/48/02/710484802.db2.gz OJCOQAGTHPIMIP-BDAKNGLRSA-N 0 3 254.305 1.707 20 10 CDCDHN CC[N@H+](CCNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000790627969 710492666 /nfs/dbraw/zinc/49/26/66/710492666.db2.gz WKFZWOZWUQRTCM-UHFFFAOYSA-N 0 3 266.341 1.558 20 10 CDCDHN CC[N@@H+](CCNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000790627969 710492670 /nfs/dbraw/zinc/49/26/70/710492670.db2.gz WKFZWOZWUQRTCM-UHFFFAOYSA-N 0 3 266.341 1.558 20 10 CDCDHN CCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000722350743 710515654 /nfs/dbraw/zinc/51/56/54/710515654.db2.gz GYNQWUKRULXPPM-GFCCVEGCSA-N 0 3 266.316 1.632 20 10 CDCDHN O=C1NCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000839195604 710525603 /nfs/dbraw/zinc/52/56/03/710525603.db2.gz LLNVVTODQJVMNP-SECBINFHSA-N 0 3 252.289 1.147 20 10 CDCDHN CCNS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000222006907 710532725 /nfs/dbraw/zinc/53/27/25/710532725.db2.gz HNDSTMRLLVMUKV-GFCCVEGCSA-N 0 3 299.440 1.343 20 10 CDCDHN COC(CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000162328268 710542907 /nfs/dbraw/zinc/54/29/07/710542907.db2.gz ULDJHNQKSPHMFW-ZDUSSCGKSA-N 0 3 294.395 1.793 20 10 CDCDHN CCOc1cccc(CN2CCSC[C@@H]2CO)c1O ZINC000877779894 710578698 /nfs/dbraw/zinc/57/86/98/710578698.db2.gz HOOPUCUPMIWOCL-LBPRGKRZSA-N 0 3 283.393 1.701 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCNC(=O)CC2)c([O-])c1 ZINC000396763466 710771354 /nfs/dbraw/zinc/77/13/54/710771354.db2.gz KQHSTKPIQPHQRS-LLVKDONJSA-N 0 3 264.325 1.159 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858601076 711474929 /nfs/dbraw/zinc/47/49/29/711474929.db2.gz BJFPSVWJTNVURJ-GMXVVIOVSA-N 0 3 294.370 1.736 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1[O-] ZINC000843385992 711502922 /nfs/dbraw/zinc/50/29/22/711502922.db2.gz GJGSTYYHBCFERE-XHDPSFHLSA-N 0 3 292.354 1.918 20 10 CDCDHN C[C@H](NC[C@@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964500 711608174 /nfs/dbraw/zinc/60/81/74/711608174.db2.gz AQHPGRNGWOUSDV-QPUJVOFHSA-N 0 3 265.313 1.688 20 10 CDCDHN OC[C@@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2 ZINC000717808725 711627848 /nfs/dbraw/zinc/62/78/48/711627848.db2.gz BHKJNTUVFBRKMM-MRVPVSSYSA-N 0 3 293.241 1.524 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000877072945 711641405 /nfs/dbraw/zinc/64/14/05/711641405.db2.gz YLLKSJUXSHNIDZ-AWEZNQCLSA-N 0 3 261.325 1.257 20 10 CDCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NC(C)C)c1O ZINC000846172960 711687790 /nfs/dbraw/zinc/68/77/90/711687790.db2.gz OEELWYGQZODDGT-QWRGUYRKSA-N 0 3 280.368 1.965 20 10 CDCDHN COc1cccc([C@@H](C)NCc2cnn(C)c2)c1O ZINC000846142998 711716233 /nfs/dbraw/zinc/71/62/33/711716233.db2.gz GWNUESTWBGSCES-SNVBAGLBSA-N 0 3 261.325 1.985 20 10 CDCDHN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886524892 711727301 /nfs/dbraw/zinc/72/73/01/711727301.db2.gz STLUZRJZKQLECJ-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN CCc1cccc(CNC2CN(C(=O)OC)C2)c1O ZINC000848898395 711761460 /nfs/dbraw/zinc/76/14/60/711761460.db2.gz BRMAGARQTYIYNU-UHFFFAOYSA-N 0 3 264.325 1.495 20 10 CDCDHN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CN(C)C ZINC000708446183 711764089 /nfs/dbraw/zinc/76/40/89/711764089.db2.gz ZRQUDEGWOMFMRU-SECBINFHSA-N 0 3 258.312 1.958 20 10 CDCDHN COc1cccc([C@@H](C)NCc2cnnn2C)c1O ZINC000846169923 711767894 /nfs/dbraw/zinc/76/78/94/711767894.db2.gz HADXFGIZBKNHDZ-SECBINFHSA-N 0 3 262.313 1.380 20 10 CDCDHN COC(=O)N1CC(C)(NCc2ccc(N(C)C)cc2)C1 ZINC000788830245 711783958 /nfs/dbraw/zinc/78/39/58/711783958.db2.gz BJZJFTYSRLMJBF-UHFFFAOYSA-N 0 3 277.368 1.683 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412328 711785376 /nfs/dbraw/zinc/78/53/76/711785376.db2.gz IVTSJGNFRZOJHG-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412328 711785377 /nfs/dbraw/zinc/78/53/77/711785377.db2.gz IVTSJGNFRZOJHG-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([O-])c1 ZINC000783735319 711788768 /nfs/dbraw/zinc/78/87/68/711788768.db2.gz PGGFGEUUKTVELI-SWLSCSKDSA-N 0 3 263.337 1.605 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([O-])c1 ZINC000783735319 711788769 /nfs/dbraw/zinc/78/87/69/711788769.db2.gz PGGFGEUUKTVELI-SWLSCSKDSA-N 0 3 263.337 1.605 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000136822974 711836324 /nfs/dbraw/zinc/83/63/24/711836324.db2.gz CLSYDXPEKMBVTP-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000136822974 711836325 /nfs/dbraw/zinc/83/63/25/711836325.db2.gz CLSYDXPEKMBVTP-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000092974969 904516714 /nfs/dbraw/zinc/51/67/14/904516714.db2.gz IZDCUOOOAMJCLQ-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN COc1ccc(C[N@@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000092974969 904516719 /nfs/dbraw/zinc/51/67/19/904516719.db2.gz IZDCUOOOAMJCLQ-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN COC(=O)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204277345 916573179 /nfs/dbraw/zinc/57/31/79/916573179.db2.gz ZZOZTNLIELNZOA-UHFFFAOYSA-N 0 3 265.309 1.483 20 10 CDCDHN CN1CCCc2cc(CN3CCOC[C@](C)(O)C3)ccc21 ZINC001138354234 936525097 /nfs/dbraw/zinc/52/50/97/936525097.db2.gz BRBXGVAQILIMBU-QGZVFWFLSA-N 0 3 290.407 1.652 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001203620417 919674588 /nfs/dbraw/zinc/67/45/88/919674588.db2.gz FBEQFMYXKKPFDE-YPMHNXCESA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001203620417 919674596 /nfs/dbraw/zinc/67/45/96/919674596.db2.gz FBEQFMYXKKPFDE-YPMHNXCESA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(CN2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001203620417 919674606 /nfs/dbraw/zinc/67/46/06/919674606.db2.gz FBEQFMYXKKPFDE-YPMHNXCESA-N 0 3 255.289 1.306 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140747704 936749802 /nfs/dbraw/zinc/74/98/02/936749802.db2.gz JFUYJTTVYZIBGN-GFCCVEGCSA-N 0 3 264.325 1.117 20 10 CDCDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(O)c(O)c1 ZINC001169443467 928036605 /nfs/dbraw/zinc/03/66/05/928036605.db2.gz HAVZYDXBYZBTTP-LLVKDONJSA-N 0 3 280.368 1.834 20 10 CDCDHN CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697579823 937283905 /nfs/dbraw/zinc/28/39/05/937283905.db2.gz OIZLBUXYXLFFQB-JQWIXIFHSA-N 0 3 271.382 1.866 20 10 CDCDHN COC(=O)c1cc2c(ncnc2NCc2ccc(N)cc2)[nH]1 ZINC001162784720 939137947 /nfs/dbraw/zinc/13/79/47/939137947.db2.gz UAZZCWKGTHJURC-UHFFFAOYSA-N 0 3 297.318 1.939 20 10 CDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203551789 939692910 /nfs/dbraw/zinc/69/29/10/939692910.db2.gz OEWSDVHPGSRLMM-GDBMZVCRSA-N 0 3 290.363 1.119 20 10 CDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203551789 939692911 /nfs/dbraw/zinc/69/29/11/939692911.db2.gz OEWSDVHPGSRLMM-GDBMZVCRSA-N 0 3 290.363 1.119 20 10 CDCDHN COc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001203621682 939697133 /nfs/dbraw/zinc/69/71/33/939697133.db2.gz YQIHEWIBXMCNMM-LLVKDONJSA-N 0 3 287.306 1.850 20 10 CDCDHN COc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c([O-])c1 ZINC001203634994 939698951 /nfs/dbraw/zinc/69/89/51/939698951.db2.gz FIKJHUZONKRTQA-UHFFFAOYSA-N 0 3 276.336 1.065 20 10 CDCDHN COc1ccc(CN2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001203634994 939698952 /nfs/dbraw/zinc/69/89/52/939698952.db2.gz FIKJHUZONKRTQA-UHFFFAOYSA-N 0 3 276.336 1.065 20 10 CDCDHN COC(=O)[C@]1(C)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203883230 939711435 /nfs/dbraw/zinc/71/14/35/939711435.db2.gz GLEMCEVGHVCHIX-CQSZACIVSA-N 0 3 265.309 1.483 20 10 CDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001204277355 939751261 /nfs/dbraw/zinc/75/12/61/939751261.db2.gz BFLAXITWUWZSQZ-GFCCVEGCSA-N 0 3 279.336 1.825 20 10 CDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001204277355 939751262 /nfs/dbraw/zinc/75/12/62/939751262.db2.gz BFLAXITWUWZSQZ-GFCCVEGCSA-N 0 3 279.336 1.825 20 10 CDCDHN COc1cc(CN(C[C@@H](O)CO)C(C)(C)C)cc(O)c1O ZINC001204341883 939757619 /nfs/dbraw/zinc/75/76/19/939757619.db2.gz HRBPGIQGVPKVOO-LLVKDONJSA-N 0 3 299.367 1.060 20 10 CDCDHN [NH3+][C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205117939 939824632 /nfs/dbraw/zinc/82/46/32/939824632.db2.gz ZHVXGVNGQQSOND-JTQLQIEISA-N 0 3 256.296 1.984 20 10 CDCDHN Cc1cc([O-])c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206097407 939980196 /nfs/dbraw/zinc/98/01/96/939980196.db2.gz QIAUKIWDGIXQTP-VXGBXAGGSA-N 0 3 270.760 1.248 20 10 CDCDHN CCCN1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237677677 944921655 /nfs/dbraw/zinc/92/16/55/944921655.db2.gz GXYBMJHNQCSBJG-UHFFFAOYSA-N 0 3 294.395 1.937 20 10 CDCDHN COC(=O)CO[C@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238068543 945049762 /nfs/dbraw/zinc/04/97/62/945049762.db2.gz ZNKGANAZMYHCGD-ZDUSSCGKSA-N 0 3 297.326 1.604 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)cc(C)c3O)C[C@@H]21 ZINC001238070763 945050217 /nfs/dbraw/zinc/05/02/17/945050217.db2.gz OZYXIBRHKNRCDB-ITGUQSILSA-N 0 3 279.311 1.691 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001249172453 949439679 /nfs/dbraw/zinc/43/96/79/949439679.db2.gz MTEOJDWBWCMPJK-GXTWGEPZSA-N 0 3 297.326 1.012 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001249172453 949439698 /nfs/dbraw/zinc/43/96/98/949439698.db2.gz MTEOJDWBWCMPJK-GXTWGEPZSA-N 0 3 297.326 1.012 20 10 CDCDHN COC[C@@H]1CCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172318 949442623 /nfs/dbraw/zinc/44/26/23/949442623.db2.gz LEXMWSXDALOSPK-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN COC[C@@H]1CCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172318 949442635 /nfs/dbraw/zinc/44/26/35/949442635.db2.gz LEXMWSXDALOSPK-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262564 994554852 /nfs/dbraw/zinc/55/48/52/994554852.db2.gz SURWCSURDBQFAG-SNVBAGLBSA-N 0 3 278.352 1.870 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293547326 362363372 /nfs/dbraw/zinc/36/33/72/362363372.db2.gz DOLZJKPHIJIXOW-AWEZNQCLSA-N 0 3 251.326 1.915 20 10 CDCDHN CCCN(CC(=O)N1CCC1)Cc1ccccc1O ZINC000068973664 349086534 /nfs/dbraw/zinc/08/65/34/349086534.db2.gz PNEVWZHBBGFZIP-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801151 356537012 /nfs/dbraw/zinc/53/70/12/356537012.db2.gz GRALFOZJMNNENB-AWEZNQCLSA-N 0 3 263.385 1.694 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCCS(C)(=O)=O)c1 ZINC000037740749 356922373 /nfs/dbraw/zinc/92/23/73/356922373.db2.gz QODOSBACWKCNGA-JTQLQIEISA-N 0 3 257.355 1.396 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179896626 357229639 /nfs/dbraw/zinc/22/96/39/357229639.db2.gz DLPAVMDOTKBKPB-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179896626 357229646 /nfs/dbraw/zinc/22/96/46/357229646.db2.gz DLPAVMDOTKBKPB-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)C1CC1 ZINC000179906827 357229667 /nfs/dbraw/zinc/22/96/67/357229667.db2.gz VPBILJBKQKXIAB-UHFFFAOYSA-N 0 3 274.364 1.883 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000180560533 357275333 /nfs/dbraw/zinc/27/53/33/357275333.db2.gz DFGKIVLVGIINMA-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000180560533 357275335 /nfs/dbraw/zinc/27/53/35/357275335.db2.gz DFGKIVLVGIINMA-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCN(C)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186811804 357694715 /nfs/dbraw/zinc/69/47/15/357694715.db2.gz FFDVKASIQJMROV-SECBINFHSA-N 0 3 254.305 1.660 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000188803142 357938842 /nfs/dbraw/zinc/93/88/42/357938842.db2.gz KBZISXDMIGMWOM-CMPLNLGQSA-N 0 3 251.326 1.651 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000113350568 359396048 /nfs/dbraw/zinc/39/60/48/359396048.db2.gz GDLNTAUBHWPOCT-SNVBAGLBSA-N 0 3 257.355 1.305 20 10 CDCDHN CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297028370 200066117 /nfs/dbraw/zinc/06/61/17/200066117.db2.gz URAFBGSDKOSPEI-LBPRGKRZSA-N 0 3 295.404 1.794 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000269326908 364178640 /nfs/dbraw/zinc/17/86/40/364178640.db2.gz AEQFKEXRCSUNTN-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000269326908 364178645 /nfs/dbraw/zinc/17/86/45/364178645.db2.gz AEQFKEXRCSUNTN-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@]2(C)CCOC2)cc1OC ZINC000271802928 364999490 /nfs/dbraw/zinc/99/94/90/364999490.db2.gz JDRPCWCDUKYDGW-CQSZACIVSA-N 0 3 267.325 1.678 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC[C@@H](C)OC)cc1OC ZINC000271895508 365004247 /nfs/dbraw/zinc/00/42/47/365004247.db2.gz UAFPCPPVZYFXQX-SNVBAGLBSA-N 0 3 269.341 1.924 20 10 CDCDHN CC[C@@H]([NH2+][C@H](CO)COC)c1ccc(C)cc1[O-] ZINC000281230426 367610050 /nfs/dbraw/zinc/61/00/50/367610050.db2.gz URNAZVVVFJGFGT-DGCLKSJQSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCCF)c1 ZINC000282963851 368123873 /nfs/dbraw/zinc/12/38/73/368123873.db2.gz ZULVUCIBSJRPPO-VHSXEESVSA-N 0 3 284.331 1.526 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(C)cc1[O-] ZINC000530222522 368149898 /nfs/dbraw/zinc/14/98/98/368149898.db2.gz FZOPDYZHXIIFOK-GXTWGEPZSA-N 0 3 264.369 1.730 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)c([O-])c1O ZINC000286911065 369022683 /nfs/dbraw/zinc/02/26/83/369022683.db2.gz HOYGNWUWRKBCBD-VIFPVBQESA-N 0 3 252.314 1.086 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC2 ZINC000295778143 371396382 /nfs/dbraw/zinc/39/63/82/371396382.db2.gz ARMIHTQVEFOXOY-PSASIEDQSA-N 0 3 261.243 1.892 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295874857 371400712 /nfs/dbraw/zinc/40/07/12/371400712.db2.gz HFVONIMKGIZYBP-TZMCWYRMSA-N 0 3 276.380 1.690 20 10 CDCDHN C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1[O-] ZINC000295892305 371401654 /nfs/dbraw/zinc/40/16/54/371401654.db2.gz HVOAKQNEIYASPK-LBPRGKRZSA-N 0 3 264.369 1.500 20 10 CDCDHN C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296189299 371413534 /nfs/dbraw/zinc/41/35/34/371413534.db2.gz YKZMHUYHMBHEFV-AAEUAGOBSA-N 0 3 274.364 1.980 20 10 CDCDHN CC[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296064968 378714827 /nfs/dbraw/zinc/71/48/27/378714827.db2.gz WEYFTFIWBFTENH-RBSFLKMASA-N 0 3 264.369 1.553 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185468069 262305133 /nfs/dbraw/zinc/30/51/33/262305133.db2.gz PSTPIJNVSOWHDJ-HZMBPMFUSA-N 0 3 271.332 1.969 20 10 CDCDHN O=C1CCN(Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000093101501 390899990 /nfs/dbraw/zinc/89/99/90/390899990.db2.gz LUBIAVHSTMXQPB-UHFFFAOYSA-N 0 3 287.407 1.999 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000133342338 390902400 /nfs/dbraw/zinc/90/24/00/390902400.db2.gz KQJDNUIPPXFHNH-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN CCCOc1ccc(CN2CCC[C@@H]2C(=O)NC)c(O)c1 ZINC000133611000 390903805 /nfs/dbraw/zinc/90/38/05/390903805.db2.gz AAKKBPGPOFNXDQ-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809204 390904278 /nfs/dbraw/zinc/90/42/78/390904278.db2.gz AHUAIMOBUWIAJV-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809204 390904279 /nfs/dbraw/zinc/90/42/79/390904279.db2.gz AHUAIMOBUWIAJV-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CC(C)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000297002642 391063145 /nfs/dbraw/zinc/06/31/45/391063145.db2.gz SUPDBABVRGRJES-OLZOCXBDSA-N 0 3 274.364 1.978 20 10 CDCDHN CCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000177635221 391173085 /nfs/dbraw/zinc/17/30/85/391173085.db2.gz LFZJPWZIYUSGPK-NSHDSACASA-N 0 3 279.336 1.979 20 10 CDCDHN CCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000177635221 391173087 /nfs/dbraw/zinc/17/30/87/391173087.db2.gz LFZJPWZIYUSGPK-NSHDSACASA-N 0 3 279.336 1.979 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000182321764 391233091 /nfs/dbraw/zinc/23/30/91/391233091.db2.gz BVMKQUQGTAFLCZ-NSHDSACASA-N 0 3 294.351 1.894 20 10 CDCDHN CN(C)c1ccc(CN(C)C2(C(N)=O)CCCC2)cc1 ZINC000193452122 391338911 /nfs/dbraw/zinc/33/89/11/391338911.db2.gz NKDDAYXOTMHZBF-UHFFFAOYSA-N 0 3 275.396 1.983 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCCn1cccn1)OCO2 ZINC000134491366 393264597 /nfs/dbraw/zinc/26/45/97/393264597.db2.gz PHXUWNITODWBHK-UHFFFAOYSA-N 0 3 275.308 1.497 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000038060364 174070950 /nfs/dbraw/zinc/07/09/50/174070950.db2.gz FUSRDMSRHMCVSC-GFCCVEGCSA-N 0 3 267.325 1.296 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000038083084 174092600 /nfs/dbraw/zinc/09/26/00/174092600.db2.gz WBJCQHBRPRVNAX-RYUDHWBXSA-N 0 3 283.393 1.786 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000219923350 260072886 /nfs/dbraw/zinc/07/28/86/260072886.db2.gz PYVVNMCYZYWACT-GXSJLCMTSA-N 0 3 265.309 1.778 20 10 CDCDHN C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000157311932 261144122 /nfs/dbraw/zinc/14/41/22/261144122.db2.gz OTJPBFAIXCMAKA-WCQYABFASA-N 0 3 278.352 1.247 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186203534 262084591 /nfs/dbraw/zinc/08/45/91/262084591.db2.gz ANBAXSPDMFCXHQ-MWLCHTKSSA-N 0 3 257.305 1.579 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186202659 262312269 /nfs/dbraw/zinc/31/22/69/262312269.db2.gz XCCADAVDHANGON-MNOVXSKESA-N 0 3 269.341 1.449 20 10 CDCDHN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1[O-] ZINC000282476832 263076961 /nfs/dbraw/zinc/07/69/61/263076961.db2.gz GVNIAPQUNPFIRT-ZDUSSCGKSA-N 0 3 295.379 1.601 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000376859202 268025349 /nfs/dbraw/zinc/02/53/49/268025349.db2.gz YCNRNLDCXYWATP-GFCCVEGCSA-N 0 3 273.336 1.771 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1C ZINC000377188628 268054695 /nfs/dbraw/zinc/05/46/95/268054695.db2.gz AIVOUXUWKFPWDG-GFCCVEGCSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1C ZINC000377188628 268054698 /nfs/dbraw/zinc/05/46/98/268054698.db2.gz AIVOUXUWKFPWDG-GFCCVEGCSA-N 0 3 262.353 1.706 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285363796 293185957 /nfs/dbraw/zinc/18/59/57/293185957.db2.gz VREGWIOTIDTWNN-NWDGAFQWSA-N 0 3 253.342 1.667 20 10 CDCDHN C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCCN1 ZINC000237503118 328007952 /nfs/dbraw/zinc/00/79/52/328007952.db2.gz IWLFJSSUCCAZQP-HNNXBMFYSA-N 0 3 261.369 1.460 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccccc1[O-] ZINC000278700566 327184784 /nfs/dbraw/zinc/18/47/84/327184784.db2.gz HIVLFSLCHTXTNZ-CORIIIEPSA-N 0 3 265.353 1.973 20 10 CDCDHN O=C([C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000377861499 329032212 /nfs/dbraw/zinc/03/22/12/329032212.db2.gz RRCCDQSRESOPFN-CQSZACIVSA-N 0 3 274.364 1.837 20 10 CDCDHN O=C([C@@H]1CC[N@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000377861499 329032213 /nfs/dbraw/zinc/03/22/13/329032213.db2.gz RRCCDQSRESOPFN-CQSZACIVSA-N 0 3 274.364 1.837 20 10 CDCDHN CC(C)[C@@H](C[NH2+]Cc1ccccc1[O-])N1CCN(C)CC1 ZINC000040770056 519794944 /nfs/dbraw/zinc/79/49/44/519794944.db2.gz PPSRMSPKCJAMRD-MRXNPFEDSA-N 0 3 291.439 1.754 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H](CO)COC)cc1F ZINC000279855635 520911739 /nfs/dbraw/zinc/91/17/39/520911739.db2.gz SDQPPQQDMZGQLP-CYBMUJFWSA-N 0 3 284.375 1.769 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H]1CCCO1 ZINC000279377751 522361747 /nfs/dbraw/zinc/36/17/47/522361747.db2.gz IOVXOPOKPMTJDT-UKRRQHHQSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@@H](NCc1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000279377751 522361756 /nfs/dbraw/zinc/36/17/56/522361756.db2.gz IOVXOPOKPMTJDT-UKRRQHHQSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H]1CCCO1 ZINC000278726650 522750326 /nfs/dbraw/zinc/75/03/26/522750326.db2.gz UAZWACWRSIFOQN-QWHCGFSZSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@H](NCc1cccc(OC)c1O)[C@H]1CCCO1 ZINC000278726650 522750338 /nfs/dbraw/zinc/75/03/38/522750338.db2.gz UAZWACWRSIFOQN-QWHCGFSZSA-N 0 3 281.352 1.684 20 10 CDCDHN CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812069 522923065 /nfs/dbraw/zinc/92/30/65/522923065.db2.gz YBACIZUZYCQUQB-KGLIPLIRSA-N 0 3 275.352 1.900 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000291195695 523288300 /nfs/dbraw/zinc/28/83/00/523288300.db2.gz HASXQDGOGDYNPU-UHFFFAOYSA-N 0 3 278.352 1.624 20 10 CDCDHN C[S@@](=O)C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000280758798 525359304 /nfs/dbraw/zinc/35/93/04/525359304.db2.gz YLUADTGILPJDID-QGZVFWFLSA-N 0 3 253.367 1.783 20 10 CDCDHN C[C@H]1CCN(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000744450208 574446480 /nfs/dbraw/zinc/44/64/80/574446480.db2.gz OVHXWTZFQJXMPQ-NSHDSACASA-N 0 3 278.352 1.552 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447886 576284888 /nfs/dbraw/zinc/28/48/88/576284888.db2.gz QPHTZYHWGQFEPR-ZDUSSCGKSA-N 0 3 295.335 1.203 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447886 576284889 /nfs/dbraw/zinc/28/48/89/576284889.db2.gz QPHTZYHWGQFEPR-ZDUSSCGKSA-N 0 3 295.335 1.203 20 10 CDCDHN CCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464192 576287154 /nfs/dbraw/zinc/28/71/54/576287154.db2.gz ODDPJQABKXWDNA-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464192 576287155 /nfs/dbraw/zinc/28/71/55/576287155.db2.gz ODDPJQABKXWDNA-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)CCOC)c([O-])c1 ZINC000769308878 576344474 /nfs/dbraw/zinc/34/44/74/576344474.db2.gz DCESBYCKNAEQLX-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)CCOC)c([O-])c1 ZINC000769308878 576344475 /nfs/dbraw/zinc/34/44/75/576344475.db2.gz DCESBYCKNAEQLX-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CCN1CCC[C@@H]1CNC(=S)NCc1ccccc1O ZINC000748156468 576897840 /nfs/dbraw/zinc/89/78/40/576897840.db2.gz GBXIGLBISVTBSZ-CYBMUJFWSA-N 0 3 293.436 1.841 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNc2cnccn2)c1 ZINC000756647331 576998428 /nfs/dbraw/zinc/99/84/28/576998428.db2.gz SLZZHQTYMHINTK-NSHDSACASA-N 0 3 288.351 1.954 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000756769826 577003792 /nfs/dbraw/zinc/00/37/92/577003792.db2.gz NYYBHNQAKHRFCO-VPJDZLOFSA-N 0 3 281.327 1.821 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1cccc(OC)c1O ZINC000757926468 577061439 /nfs/dbraw/zinc/06/14/39/577061439.db2.gz LUDWAFUVHBCUGM-OAHLLOKOSA-N 0 3 297.351 1.459 20 10 CDCDHN COc1cc(O)c(CNC2COC(C)(C)OC2)cc1OC ZINC000758012063 577067209 /nfs/dbraw/zinc/06/72/09/577067209.db2.gz JZQVCMFCOPNTNI-UHFFFAOYSA-N 0 3 297.351 1.651 20 10 CDCDHN COCCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894146175 618627041 /nfs/dbraw/zinc/62/70/41/618627041.db2.gz OCFURNAWNPOYKG-UHFFFAOYSA-N 0 3 294.326 1.840 20 10 CDCDHN COc1cc(C)cc(CNC[C@@H](C)S(C)(=O)=O)c1O ZINC000894361591 618821455 /nfs/dbraw/zinc/82/14/55/618821455.db2.gz KDEYXAZYDQOVCG-SNVBAGLBSA-N 0 3 287.381 1.232 20 10 CDCDHN CN(Cc1ncc[nH]1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000894586766 618976806 /nfs/dbraw/zinc/97/68/06/618976806.db2.gz VJTHCBJWFSWTLQ-UHFFFAOYSA-N 0 3 299.422 1.794 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895329873 619574732 /nfs/dbraw/zinc/57/47/32/619574732.db2.gz KGJHJXTUHJSXBG-SWLSCSKDSA-N 0 3 281.352 1.109 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895329873 619574740 /nfs/dbraw/zinc/57/47/40/619574740.db2.gz KGJHJXTUHJSXBG-SWLSCSKDSA-N 0 3 281.352 1.109 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000896386322 620081595 /nfs/dbraw/zinc/08/15/95/620081595.db2.gz ZBRXGFDEXJYGBY-CYBMUJFWSA-N 0 3 293.363 1.986 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000896386322 620081597 /nfs/dbraw/zinc/08/15/97/620081597.db2.gz ZBRXGFDEXJYGBY-CYBMUJFWSA-N 0 3 293.363 1.986 20 10 CDCDHN Cc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c([O-])c1 ZINC000897199505 620412400 /nfs/dbraw/zinc/41/24/00/620412400.db2.gz HURGKBYYTZPBKS-CYBMUJFWSA-N 0 3 251.326 1.596 20 10 CDCDHN COc1cccc(CNC(=O)[C@H](N)C(C)(C)C)c1O ZINC000083492628 1173471631 /nfs/dbraw/zinc/47/16/31/1173471631.db2.gz FGRNDXZSDIKNCV-LBPRGKRZSA-N 0 3 266.341 1.390 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1[O-] ZINC000783521437 711862929 /nfs/dbraw/zinc/86/29/29/711862929.db2.gz XZWYSFLDZSYQTR-SNVBAGLBSA-N 0 3 271.320 1.737 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1c([O-])cccc1F ZINC000886493496 711947642 /nfs/dbraw/zinc/94/76/42/711947642.db2.gz NWVLWQHSPMEABV-ZDUSSCGKSA-N 0 3 295.402 1.819 20 10 CDCDHN Cc1cc(O)c(CNCCS(=O)(=O)C2CC2)cc1C ZINC000840965085 711950818 /nfs/dbraw/zinc/95/08/18/711950818.db2.gz XKAFQAXDTWZTNI-UHFFFAOYSA-N 0 3 283.393 1.676 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)[C@H](C)O ZINC000929753350 711993872 /nfs/dbraw/zinc/99/38/72/711993872.db2.gz NXBPINKQXZBPBB-SMDDNHRTSA-N 0 3 253.342 1.346 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)[C@H](C)O ZINC000929753350 711993875 /nfs/dbraw/zinc/99/38/75/711993875.db2.gz NXBPINKQXZBPBB-SMDDNHRTSA-N 0 3 253.342 1.346 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838911908 711995197 /nfs/dbraw/zinc/99/51/97/711995197.db2.gz BSIAGQJKUAXLQK-YPMHNXCESA-N 0 3 262.353 1.959 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1[O-] ZINC000843369897 712013356 /nfs/dbraw/zinc/01/33/56/712013356.db2.gz YGPWOAANNRQSDV-AOOOYVTPSA-N 0 3 280.343 1.916 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2ccc(C)cc2[O-])CCCOC1 ZINC000877404538 712062208 /nfs/dbraw/zinc/06/22/08/712062208.db2.gz DKDMZLNVGGZSTQ-MRXNPFEDSA-N 0 3 293.363 1.903 20 10 CDCDHN CO[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOC1 ZINC000123188761 712069908 /nfs/dbraw/zinc/06/99/08/712069908.db2.gz GOKXDYXFVMDGFI-HZMBPMFUSA-N 0 3 269.316 1.987 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000220220219 712073097 /nfs/dbraw/zinc/07/30/97/712073097.db2.gz PPLJFYMCVZVDHQ-GHMZBOCLSA-N 0 3 297.196 1.806 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NC(C)(C)C)c([O-])c1 ZINC000849024841 712152548 /nfs/dbraw/zinc/15/25/48/712152548.db2.gz BTOHTDOHTBVHCP-UHFFFAOYSA-N 0 3 251.330 1.813 20 10 CDCDHN CN(C)c1cc(F)c(CNCCC[S@@](C)=O)cc1F ZINC000858140088 712182690 /nfs/dbraw/zinc/18/26/90/712182690.db2.gz ZNYGEQVWXXWGLM-LJQANCHMSA-N 0 3 290.379 1.889 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877561268 712274676 /nfs/dbraw/zinc/27/46/76/712274676.db2.gz DIWZMZNHBRCFNF-GFCCVEGCSA-N 0 3 286.397 1.118 20 10 CDCDHN CC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748967 712284923 /nfs/dbraw/zinc/28/49/23/712284923.db2.gz UBMGSBVINUZHNE-WFASDCNBSA-N 0 3 291.395 1.375 20 10 CDCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])C[C@@H]2CCCCN12 ZINC000835075700 712342507 /nfs/dbraw/zinc/34/25/07/712342507.db2.gz ZOUIASPWPMMKFI-STQMWFEESA-N 0 3 260.337 1.635 20 10 CDCDHN C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000187150117 712395190 /nfs/dbraw/zinc/39/51/90/712395190.db2.gz FUYBCYUJOGXPLJ-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000799163878 712395500 /nfs/dbraw/zinc/39/55/00/712395500.db2.gz OAMDSFCUXKIHLJ-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000799163878 712395503 /nfs/dbraw/zinc/39/55/03/712395503.db2.gz OAMDSFCUXKIHLJ-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@@H](N)C3CCC3)ccc21 ZINC000827913751 712451475 /nfs/dbraw/zinc/45/14/75/712451475.db2.gz KQJFJFZKBQDMJU-INIZCTEOSA-N 0 3 287.407 1.813 20 10 CDCDHN CCN(CC[NH3+])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000863551433 712500402 /nfs/dbraw/zinc/50/04/02/712500402.db2.gz MIBVVPDBWDTPIF-UHFFFAOYSA-N 0 3 254.305 1.515 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC[C@H]1CCCS1(=O)=O ZINC000840935704 712699703 /nfs/dbraw/zinc/69/97/03/712699703.db2.gz AURSFZHLUFJUCW-OAHLLOKOSA-N 0 3 296.436 1.728 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccccc1[O-] ZINC000879648673 712719569 /nfs/dbraw/zinc/71/95/69/712719569.db2.gz YVHOJHOTWAZPDD-LLVKDONJSA-N 0 3 262.353 1.959 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC2=NOCC2)c1 ZINC001307629400 912645828 /nfs/dbraw/zinc/64/58/28/912645828.db2.gz RFJKZCPFWRYKQE-VIFPVBQESA-N 0 3 250.298 1.828 20 10 CDCDHN CS(=O)(=O)CCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000692815566 900293400 /nfs/dbraw/zinc/29/34/00/900293400.db2.gz XTTHUOKKRATLKZ-UHFFFAOYSA-N 0 3 275.345 1.446 20 10 CDCDHN CC[C@H](C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000839787625 905605036 /nfs/dbraw/zinc/60/50/36/905605036.db2.gz QBZIDXMFMJKCKS-JTQLQIEISA-N 0 3 296.342 1.793 20 10 CDCDHN O=C1C[C@@H]([NH2+]Cc2cccc(O)c2[O-])CCN1C1CC1 ZINC001172009801 911093640 /nfs/dbraw/zinc/09/36/40/911093640.db2.gz RQZRCULAUIWDJA-NSHDSACASA-N 0 3 276.336 1.341 20 10 CDCDHN CCCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182360259 917279780 /nfs/dbraw/zinc/27/97/80/917279780.db2.gz DZLRPBLOIJSUKR-NSHDSACASA-N 0 3 280.368 1.968 20 10 CDCDHN CC[NH+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137841687 936420404 /nfs/dbraw/zinc/42/04/04/936420404.db2.gz PYZFHWKOQPSBJV-RYUDHWBXSA-N 0 3 264.344 1.915 20 10 CDCDHN CCN1CCN(c2ccc(CN3CC(C)(O)C3)cc2)CC1 ZINC001140299585 936699251 /nfs/dbraw/zinc/69/92/51/936699251.db2.gz AWZVMZZQFYWCKM-UHFFFAOYSA-N 0 3 289.423 1.395 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141028965 936794257 /nfs/dbraw/zinc/79/42/57/936794257.db2.gz FTIAQOYOXNPTPE-GHMZBOCLSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141028965 936794258 /nfs/dbraw/zinc/79/42/58/936794258.db2.gz FTIAQOYOXNPTPE-GHMZBOCLSA-N 0 3 281.352 1.755 20 10 CDCDHN CCOC(=O)CCN(C)Cc1c(O)cc(OC)cc1OC ZINC001141028521 936794384 /nfs/dbraw/zinc/79/43/84/936794384.db2.gz RXWDFZCTFULBJI-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN CCOC(=O)CC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141028521 936794387 /nfs/dbraw/zinc/79/43/87/936794387.db2.gz RXWDFZCTFULBJI-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN CCOC(=O)CC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141028521 936794390 /nfs/dbraw/zinc/79/43/90/936794390.db2.gz RXWDFZCTFULBJI-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN Nc1ccc(CCNC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001118256586 924050372 /nfs/dbraw/zinc/05/03/72/924050372.db2.gz YCRBPGKPNBRINH-OAHLLOKOSA-N 0 3 275.396 1.835 20 10 CDCDHN CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(C)cc1[O-] ZINC000840802355 936961839 /nfs/dbraw/zinc/96/18/39/936961839.db2.gz IBZQLQGRAWXZJK-JSGCOSHPSA-N 0 3 290.367 1.394 20 10 CDCDHN C[C@H](NCC(=O)N1CCC1)c1ccc(N(C)C)cc1 ZINC000775836072 925389349 /nfs/dbraw/zinc/38/93/49/925389349.db2.gz YHIDEMYLSGBICD-LBPRGKRZSA-N 0 3 261.369 1.636 20 10 CDCDHN CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862539382 929423431 /nfs/dbraw/zinc/42/34/31/929423431.db2.gz NQGTYGVNLWWZGO-QMMMGPOBSA-N 0 3 256.277 1.029 20 10 CDCDHN CC[C@@H]1CN(C)CCN1Cc1cc(OC)c(OC)cc1O ZINC000816660573 930331590 /nfs/dbraw/zinc/33/15/90/930331590.db2.gz IZMQRKBFTLILKS-CYBMUJFWSA-N 0 3 294.395 1.935 20 10 CDCDHN N[C@@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000817939757 930638433 /nfs/dbraw/zinc/63/84/33/930638433.db2.gz BSBCNNLYNITEGY-SNVBAGLBSA-N 0 3 285.438 1.869 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000817983005 930658054 /nfs/dbraw/zinc/65/80/54/930658054.db2.gz JKZUBDMPVPUDCP-PWSUYJOCSA-N 0 3 284.787 1.993 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC2CC2)c1 ZINC000135727195 930671270 /nfs/dbraw/zinc/67/12/70/930671270.db2.gz LLBYJTYLUMPRMZ-ZJUUUORDSA-N 0 3 278.352 1.719 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886328493 930862649 /nfs/dbraw/zinc/86/26/49/930862649.db2.gz KTXPBVFQWNLPNA-GASCZTMLSA-N 0 3 287.407 1.663 20 10 CDCDHN Oc1cc(O)c(CN2CCc3occc3C2)c(O)c1 ZINC001144515074 931878785 /nfs/dbraw/zinc/87/87/85/931878785.db2.gz DOULSBIJQPTNKC-UHFFFAOYSA-N 0 3 261.277 1.955 20 10 CDCDHN CCOc1cccc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846111972 931975079 /nfs/dbraw/zinc/97/50/79/931975079.db2.gz SPUURJHEWWTMTA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846111972 931975084 /nfs/dbraw/zinc/97/50/84/931975084.db2.gz SPUURJHEWWTMTA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN [NH3+]CCN(C(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC001148219979 932672001 /nfs/dbraw/zinc/67/20/01/932672001.db2.gz IXDYVXLTOLZCCJ-UHFFFAOYSA-N 0 3 273.292 1.098 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[C@@]1(C)O ZINC001203875205 939710476 /nfs/dbraw/zinc/71/04/76/939710476.db2.gz KFXPEYZXWLRUSX-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1F ZINC001206182627 939993532 /nfs/dbraw/zinc/99/35/32/939993532.db2.gz CKQGAECQPUXIJK-BXKDBHETSA-N 0 3 274.286 1.932 20 10 CDCDHN C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001219659337 941373382 /nfs/dbraw/zinc/37/33/82/941373382.db2.gz WDZBYOZLUPTUFH-ZJUUUORDSA-N 0 3 264.325 1.073 20 10 CDCDHN Cc1cccc(CN2CCN(c3cncnc3)CC2)c1O ZINC001231593901 942938409 /nfs/dbraw/zinc/93/84/09/942938409.db2.gz NTWPSBIJXSTPRC-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@](C)(CO)C1 ZINC001231848123 943029075 /nfs/dbraw/zinc/02/90/75/943029075.db2.gz GRHFYRPMDZHGCK-INIZCTEOSA-N 0 3 278.396 1.966 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@](C)(O)C1 ZINC001231851545 943029375 /nfs/dbraw/zinc/02/93/75/943029375.db2.gz IYYVOWGMQAKPCV-OAHLLOKOSA-N 0 3 264.369 1.718 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@H](O)[C@@H](C)C1 ZINC001231852150 943030988 /nfs/dbraw/zinc/03/09/88/943030988.db2.gz QYOYGVWPXWLOTO-FZMZJTMJSA-N 0 3 264.369 1.574 20 10 CDCDHN CCO[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485250 943591875 /nfs/dbraw/zinc/59/18/75/943591875.db2.gz OEBPXDKVFBDQRQ-NSHDSACASA-N 0 3 267.325 1.804 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@H]3OCC[C@H]32)cc1O ZINC001233483189 943592158 /nfs/dbraw/zinc/59/21/58/943592158.db2.gz QKQAZOXWKFUANJ-NOZJJQNGSA-N 0 3 251.282 1.167 20 10 CDCDHN CCO[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486792 943595465 /nfs/dbraw/zinc/59/54/65/943595465.db2.gz CCDUDEAYUUQYEF-SNVBAGLBSA-N 0 3 253.298 1.414 20 10 CDCDHN COc1ccc2ccc([O-])c(CN3C[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001236292230 944451278 /nfs/dbraw/zinc/45/12/78/944451278.db2.gz MYNZHEAPIZGRGZ-LRDDRELGSA-N 0 3 284.359 1.958 20 10 CDCDHN CCc1ccc(CN2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236788456 944568903 /nfs/dbraw/zinc/56/89/03/944568903.db2.gz NOVGKRANIOTHIM-OAHLLOKOSA-N 0 3 293.363 1.719 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001237037873 944643530 /nfs/dbraw/zinc/64/35/30/944643530.db2.gz AAMHTLPTFVVQJH-TZMCWYRMSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001237037873 944643535 /nfs/dbraw/zinc/64/35/35/944643535.db2.gz AAMHTLPTFVVQJH-TZMCWYRMSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(CN2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001237037873 944643540 /nfs/dbraw/zinc/64/35/40/944643540.db2.gz AAMHTLPTFVVQJH-TZMCWYRMSA-N 0 3 269.316 1.696 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(C2COC2)CC1 ZINC001237483916 944809691 /nfs/dbraw/zinc/80/96/91/944809691.db2.gz VISLCAWUZHLPMB-UHFFFAOYSA-N 0 3 262.353 1.217 20 10 CDCDHN CNC(=O)NC1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238064584 945048996 /nfs/dbraw/zinc/04/89/96/945048996.db2.gz DJUYIZFIPQHGDE-UHFFFAOYSA-N 0 3 295.358 1.733 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)C ZINC001252680168 951570378 /nfs/dbraw/zinc/57/03/78/951570378.db2.gz PJDPWJRWWCCUJJ-AWEZNQCLSA-N 0 3 267.369 2.000 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)C ZINC001252680168 951570387 /nfs/dbraw/zinc/57/03/87/951570387.db2.gz PJDPWJRWWCCUJJ-AWEZNQCLSA-N 0 3 267.369 2.000 20 10 CDCDHN CN(CC(=O)NCc1c(O)cccc1O)CC(C)(C)C ZINC001304054443 956156009 /nfs/dbraw/zinc/15/60/09/956156009.db2.gz OAGVSWJCWCOLLV-UHFFFAOYSA-N 0 3 280.368 1.692 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@@H](CO)CC(F)F)c([O-])c1 ZINC001308684431 956557688 /nfs/dbraw/zinc/55/76/88/956557688.db2.gz HJCBCMQKRSBVGD-SECBINFHSA-N 0 3 275.295 1.815 20 10 CDCDHN Nc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC001336116531 960209748 /nfs/dbraw/zinc/20/97/48/960209748.db2.gz FMNSBMUONXZJEL-CQSZACIVSA-N 0 3 259.353 1.466 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1OC ZINC000295053510 199322117 /nfs/dbraw/zinc/32/21/17/199322117.db2.gz NQFORKYKLORBRV-PWSUYJOCSA-N 0 3 281.352 1.660 20 10 CDCDHN C[C@@H](CCO)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295175763 199387721 /nfs/dbraw/zinc/38/77/21/199387721.db2.gz UZWJRBQFMQOATF-SNVBAGLBSA-N 0 3 267.325 1.619 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000188690607 357926699 /nfs/dbraw/zinc/92/66/99/357926699.db2.gz LVXBBDBQJWJSSW-UHFFFAOYSA-N 0 3 253.273 1.574 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)cc1C ZINC000188834131 357943693 /nfs/dbraw/zinc/94/36/93/357943693.db2.gz CKZOZFRDPBRLHH-UHFFFAOYSA-N 0 3 279.380 1.982 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCOCC2)cc1C ZINC000188834131 357943696 /nfs/dbraw/zinc/94/36/96/357943696.db2.gz CKZOZFRDPBRLHH-UHFFFAOYSA-N 0 3 279.380 1.982 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3ncccn3)CC2)c1 ZINC000158829767 364102152 /nfs/dbraw/zinc/10/21/52/364102152.db2.gz ODTCLWAOZKQHFR-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@@H](C)O1 ZINC000269235410 364165745 /nfs/dbraw/zinc/16/57/45/364165745.db2.gz GMCPIOHTCMTWIQ-GHMZBOCLSA-N 0 3 295.358 1.014 20 10 CDCDHN CCN(CCOC)Cc1cc(OC)c(OC)cc1O ZINC000271074279 364906867 /nfs/dbraw/zinc/90/68/67/364906867.db2.gz GBXALSQOLAZHCS-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271074279 364906873 /nfs/dbraw/zinc/90/68/73/364906873.db2.gz GBXALSQOLAZHCS-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271074279 364906878 /nfs/dbraw/zinc/90/68/78/364906878.db2.gz GBXALSQOLAZHCS-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1O ZINC000271238505 364977840 /nfs/dbraw/zinc/97/78/40/364977840.db2.gz BQEXJORRLDADAF-CABZTGNLSA-N 0 3 265.309 1.324 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1O ZINC000271238505 364977843 /nfs/dbraw/zinc/97/78/43/364977843.db2.gz BQEXJORRLDADAF-CABZTGNLSA-N 0 3 265.309 1.324 20 10 CDCDHN C[C@@H](CN(C)C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168615408 364995255 /nfs/dbraw/zinc/99/52/55/364995255.db2.gz FCVSQYVJTIORDI-VIFPVBQESA-N 0 3 252.314 1.161 20 10 CDCDHN COc1cccc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000288473157 367309459 /nfs/dbraw/zinc/30/94/59/367309459.db2.gz PECQKZJTNZBWHJ-UHFFFAOYSA-N 0 3 269.341 1.278 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000281201358 367604170 /nfs/dbraw/zinc/60/41/70/367604170.db2.gz SABPLGNYZOWUDR-VXGBXAGGSA-N 0 3 253.342 1.667 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(F)ccc1[O-] ZINC000282437411 367883950 /nfs/dbraw/zinc/88/39/50/367883950.db2.gz DOZMPDXZSPDZCP-BDAKNGLRSA-N 0 3 272.295 1.656 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282600362 367955221 /nfs/dbraw/zinc/95/52/21/367955221.db2.gz HLQNVBPMKLHJHI-UHFFFAOYSA-N 0 3 295.379 1.348 20 10 CDCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])N1CCOCC1 ZINC000226582641 371885910 /nfs/dbraw/zinc/88/59/10/371885910.db2.gz WSIDMJRIHUHWPC-UHFFFAOYSA-N 0 3 282.359 1.732 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000138331198 375818210 /nfs/dbraw/zinc/81/82/10/375818210.db2.gz HWPPMELILFCSIY-CYBMUJFWSA-N 0 3 298.408 1.133 20 10 CDCDHN COCC(C)(C)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000292767166 375995984 /nfs/dbraw/zinc/99/59/84/375995984.db2.gz JYPQSRFMYZWUMI-UHFFFAOYSA-N 0 3 267.325 1.978 20 10 CDCDHN COCC(C)(C)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000292767166 375995991 /nfs/dbraw/zinc/99/59/91/375995991.db2.gz JYPQSRFMYZWUMI-UHFFFAOYSA-N 0 3 267.325 1.978 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295209920 378661892 /nfs/dbraw/zinc/66/18/92/378661892.db2.gz ZXLLDOQBUXOHRD-AWEZNQCLSA-N 0 3 282.359 1.468 20 10 CDCDHN Cc1cc(C(=O)NCCN(C)C)c(C)n1-c1ccccn1 ZINC000120993822 390878798 /nfs/dbraw/zinc/87/87/98/390878798.db2.gz XICNWOSVZPNJTP-UHFFFAOYSA-N 0 3 286.379 1.781 20 10 CDCDHN CCCCN(CC(N)=O)Cc1cc(C)ccc1O ZINC000132864140 390933828 /nfs/dbraw/zinc/93/38/28/390933828.db2.gz QPIJWXDORVHLQV-UHFFFAOYSA-N 0 3 250.342 1.788 20 10 CDCDHN CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000122635524 390905162 /nfs/dbraw/zinc/90/51/62/390905162.db2.gz DOISTRDRCDBXMR-CQSZACIVSA-N 0 3 280.368 1.343 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000373125362 391106871 /nfs/dbraw/zinc/10/68/71/391106871.db2.gz NNRYHUPWILFMHC-GFCCVEGCSA-N 0 3 261.300 1.902 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c([O-])c1O ZINC000177673569 391173789 /nfs/dbraw/zinc/17/37/89/391173789.db2.gz FZIGQDDAFATRLJ-NSHDSACASA-N 0 3 292.379 1.868 20 10 CDCDHN Cc1cccc(CN2CCO[C@H](CN(C)C)C2)c1O ZINC000183399361 391263799 /nfs/dbraw/zinc/26/37/99/391263799.db2.gz VALQBTNTGVKFBF-CQSZACIVSA-N 0 3 264.369 1.463 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1[O-] ZINC000168191417 391279018 /nfs/dbraw/zinc/27/90/18/391279018.db2.gz YNDLLXRSCJYQTN-XYZCENFISA-N 0 3 257.355 1.257 20 10 CDCDHN Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)c([O-])c1O ZINC000281828380 391407365 /nfs/dbraw/zinc/40/73/65/391407365.db2.gz WFPJUCGTVJJFIK-UHFFFAOYSA-N 0 3 278.352 1.620 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000126499182 260352662 /nfs/dbraw/zinc/35/26/62/260352662.db2.gz DLSIPVMDNBRKSP-GHMZBOCLSA-N 0 3 276.336 1.454 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000126499182 260352663 /nfs/dbraw/zinc/35/26/63/260352663.db2.gz DLSIPVMDNBRKSP-GHMZBOCLSA-N 0 3 276.336 1.454 20 10 CDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000158634385 261168082 /nfs/dbraw/zinc/16/80/82/261168082.db2.gz MFKWFZSAZGNPNN-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000184670118 262025622 /nfs/dbraw/zinc/02/56/22/262025622.db2.gz MNVPICDTYNBXBC-VIFPVBQESA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000184670118 262025624 /nfs/dbraw/zinc/02/56/24/262025624.db2.gz MNVPICDTYNBXBC-VIFPVBQESA-N 0 3 298.770 1.752 20 10 CDCDHN CC[N@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184672296 262026374 /nfs/dbraw/zinc/02/63/74/262026374.db2.gz SXGMVWILPCZJLS-UHFFFAOYSA-N 0 3 259.733 1.868 20 10 CDCDHN CC[N@@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184672296 262026377 /nfs/dbraw/zinc/02/63/77/262026377.db2.gz SXGMVWILPCZJLS-UHFFFAOYSA-N 0 3 259.733 1.868 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186224119 262312329 /nfs/dbraw/zinc/31/23/29/262312329.db2.gz BMWVUPAEVMLQPD-VIFPVBQESA-N 0 3 268.332 1.954 20 10 CDCDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272445740 263004601 /nfs/dbraw/zinc/00/46/01/263004601.db2.gz MYSYXOAQHLJHTD-CFNZNRNTSA-N 0 3 290.363 1.712 20 10 CDCDHN Nc1ccc(CCNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000378189039 329042789 /nfs/dbraw/zinc/04/27/89/329042789.db2.gz WBQAKANEQBBUPX-UHFFFAOYSA-N 0 3 295.386 1.424 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000226607667 333266090 /nfs/dbraw/zinc/26/60/90/333266090.db2.gz OOWAKBVNYSEMQF-ZIAGYGMSSA-N 0 3 280.343 1.484 20 10 CDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236762737 519817261 /nfs/dbraw/zinc/81/72/61/519817261.db2.gz ODRLWWYQSSLBCY-ZDUSSCGKSA-N 0 3 267.348 1.491 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280562088 521147971 /nfs/dbraw/zinc/14/79/71/521147971.db2.gz VABMWFLWWSLMPB-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280562088 521147974 /nfs/dbraw/zinc/14/79/74/521147974.db2.gz VABMWFLWWSLMPB-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278493220 521376574 /nfs/dbraw/zinc/37/65/74/521376574.db2.gz LTBQDLKWMNQDIY-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN COCCOCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879558 523997694 /nfs/dbraw/zinc/99/76/94/523997694.db2.gz LLDRBKHEPJDXKY-UHFFFAOYSA-N 0 3 283.324 1.264 20 10 CDCDHN COc1ccc(CNC[C@H]2CN(C)CCN2C)cc1C ZINC000068801817 524072272 /nfs/dbraw/zinc/07/22/72/524072272.db2.gz OOZNREODAGRRSX-HNNXBMFYSA-N 0 3 277.412 1.339 20 10 CDCDHN Cc1cc(O)c(CN(C)[C@@H]2COC[C@H]2O)cc1C ZINC000289852108 525314626 /nfs/dbraw/zinc/31/46/26/525314626.db2.gz VBIYXSWDHNHIBO-TZMCWYRMSA-N 0 3 251.326 1.201 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1C ZINC000280388001 525321588 /nfs/dbraw/zinc/32/15/88/525321588.db2.gz WLPGFEFYWBJDRN-UKRRQHHQSA-N 0 3 279.380 1.744 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000273467201 525728712 /nfs/dbraw/zinc/72/87/12/525728712.db2.gz FAVLWSRJDZVKBW-IAQYHMDHSA-N 0 3 275.352 1.818 20 10 CDCDHN COc1cccc(CN2CCN(CC3CC3)CC2)c1O ZINC000130671774 525944309 /nfs/dbraw/zinc/94/43/09/525944309.db2.gz FUSYTANSILSHCJ-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN COc1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274988826 525955117 /nfs/dbraw/zinc/95/51/17/525955117.db2.gz YQVSIVYYZZWIRB-UHFFFAOYSA-N 0 3 287.319 1.042 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000125567779 526028477 /nfs/dbraw/zinc/02/84/77/526028477.db2.gz BWWNHYUNIYSYAO-YPMLDQLKSA-N 0 3 271.382 1.648 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCCO)C[C@@H]1CCCO1 ZINC000070976406 527539817 /nfs/dbraw/zinc/53/98/17/527539817.db2.gz AIFMYUGCVWQZJR-AWEZNQCLSA-N 0 3 265.353 1.756 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCCO)C[C@@H]1CCCO1 ZINC000070976406 527539823 /nfs/dbraw/zinc/53/98/23/527539823.db2.gz AIFMYUGCVWQZJR-AWEZNQCLSA-N 0 3 265.353 1.756 20 10 CDCDHN CCN1CCC[C@@H]1CNC(=S)NCc1cccn1C ZINC000743061905 574434098 /nfs/dbraw/zinc/43/40/98/574434098.db2.gz QITRVHLGVDZDAX-CYBMUJFWSA-N 0 3 280.441 1.474 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)c([O-])c1 ZINC000748242791 574516945 /nfs/dbraw/zinc/51/69/45/574516945.db2.gz QQXWVAQEJSMPOO-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000729683002 574820936 /nfs/dbraw/zinc/82/09/36/574820936.db2.gz NBUWGONIKNKNKQ-UHFFFAOYSA-N 0 3 294.395 1.601 20 10 CDCDHN COC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000774649807 575224044 /nfs/dbraw/zinc/22/40/44/575224044.db2.gz YTAATNSZWYRPQT-CQSZACIVSA-N 0 3 293.363 1.819 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000770292672 575436980 /nfs/dbraw/zinc/43/69/80/575436980.db2.gz OFFHJPKFARRJGN-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000770292672 575436983 /nfs/dbraw/zinc/43/69/83/575436983.db2.gz OFFHJPKFARRJGN-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN CCN(C)c1ccc(CN(CCO)CCOC)cc1 ZINC000773750289 575837660 /nfs/dbraw/zinc/83/76/60/575837660.db2.gz XONQCILOLUPHAN-UHFFFAOYSA-N 0 3 266.385 1.583 20 10 CDCDHN COC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464415 576287318 /nfs/dbraw/zinc/28/73/18/576287318.db2.gz QUJVQJFCSKMXOS-RISCZKNCSA-N 0 3 279.336 1.429 20 10 CDCDHN COC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464415 576287320 /nfs/dbraw/zinc/28/73/20/576287320.db2.gz QUJVQJFCSKMXOS-RISCZKNCSA-N 0 3 279.336 1.429 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403870 576352146 /nfs/dbraw/zinc/35/21/46/576352146.db2.gz YAZRBBJRUOLIAE-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403870 576352149 /nfs/dbraw/zinc/35/21/49/576352149.db2.gz YAZRBBJRUOLIAE-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C2CC(O)C2)c([O-])c1 ZINC000761223813 576561272 /nfs/dbraw/zinc/56/12/72/576561272.db2.gz RKWMDHQACBDKCD-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C2CC(O)C2)c([O-])c1 ZINC000761223813 576561274 /nfs/dbraw/zinc/56/12/74/576561274.db2.gz RKWMDHQACBDKCD-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c([O-])c1C ZINC000762784853 576671476 /nfs/dbraw/zinc/67/14/76/576671476.db2.gz ALRURKXCGZFVJB-CZUORRHYSA-N 0 3 278.396 1.726 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000762786892 576671772 /nfs/dbraw/zinc/67/17/72/576671772.db2.gz LOTUVXLAHPINMI-HZMBPMFUSA-N 0 3 284.787 1.763 20 10 CDCDHN COc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000763466604 576738339 /nfs/dbraw/zinc/73/83/39/576738339.db2.gz KGTZDXGXTFBPGB-CQSZACIVSA-N 0 3 295.379 1.668 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C)c2c1c(F)ccc2[O-] ZINC000756552223 576995128 /nfs/dbraw/zinc/99/51/28/576995128.db2.gz DCVTZKMJSRBXHG-JFGNBEQYSA-N 0 3 282.359 1.592 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000756554561 576995349 /nfs/dbraw/zinc/99/53/49/576995349.db2.gz IIPNLLLUEPQFPK-DOMZBBRYSA-N 0 3 292.423 1.844 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1 ZINC000757926781 577061502 /nfs/dbraw/zinc/06/15/02/577061502.db2.gz OMKJAPLUBCTYEY-MRXNPFEDSA-N 0 3 294.395 1.810 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895324460 619561309 /nfs/dbraw/zinc/56/13/09/619561309.db2.gz KSTZPWGPKFIVHX-TZMCWYRMSA-N 0 3 251.326 1.018 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895324460 619561310 /nfs/dbraw/zinc/56/13/10/619561310.db2.gz KSTZPWGPKFIVHX-TZMCWYRMSA-N 0 3 251.326 1.018 20 10 CDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000895433375 619659393 /nfs/dbraw/zinc/65/93/93/619659393.db2.gz LMJXOPLBYBEMBY-CQSZACIVSA-N 0 3 274.364 1.626 20 10 CDCDHN COc1cc(C)cc(CN2CCSC[C@@H]2CO)c1O ZINC000895471673 619690288 /nfs/dbraw/zinc/69/02/88/619690288.db2.gz ZSZUOOULHYBALZ-LBPRGKRZSA-N 0 3 283.393 1.619 20 10 CDCDHN CCOCCOCC[NH2+]Cc1c(C)cccc1[O-] ZINC000897204299 620417022 /nfs/dbraw/zinc/41/70/22/620417022.db2.gz MVKWMXBTUHBEMV-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN COc1cccc(N)c1N[C@@H](C)[C@H]1CNCCO1 ZINC001170570840 1162957203 /nfs/dbraw/zinc/95/72/03/1162957203.db2.gz LNOCXNRIHPIUEK-JOYOIKCWSA-N 0 3 251.330 1.066 20 10 CDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1 ZINC000088658058 1158735064 /nfs/dbraw/zinc/73/50/64/1158735064.db2.gz FSJRYMPUDYVUCR-HNNXBMFYSA-N 0 3 291.395 1.090 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000872267081 1165405647 /nfs/dbraw/zinc/40/56/47/1165405647.db2.gz RVZVPLCJQMZNRT-BETUJISGSA-N 0 3 263.337 1.869 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000872267081 1165405650 /nfs/dbraw/zinc/40/56/50/1165405650.db2.gz RVZVPLCJQMZNRT-BETUJISGSA-N 0 3 263.337 1.869 20 10 CDCDHN Cc1ccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c(O)c1 ZINC000877437050 1166037041 /nfs/dbraw/zinc/03/70/41/1166037041.db2.gz UEXIIDUHKLCDNO-DGCLKSJQSA-N 0 3 262.353 1.786 20 10 CDCDHN CCN(C)c1ccc(CN2CCN(C)C[C@@H]2CO)cc1 ZINC000879001436 1166283157 /nfs/dbraw/zinc/28/31/57/1166283157.db2.gz XDATXXPUWCMTKY-MRXNPFEDSA-N 0 3 277.412 1.251 20 10 CDCDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870987676 1165250006 /nfs/dbraw/zinc/25/00/06/1165250006.db2.gz AEKVDGXQRAXPGR-MWLCHTKSSA-N 0 3 268.382 1.650 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)C(C)C ZINC000876892462 1165934556 /nfs/dbraw/zinc/93/45/56/1165934556.db2.gz PIDWJOCZAICMRC-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCCCC1 ZINC000126360312 1165978476 /nfs/dbraw/zinc/97/84/76/1165978476.db2.gz FORPPNGPDIISAD-LLVKDONJSA-N 0 3 278.352 1.702 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@](C)(C[NH3+])C2)c1[O-] ZINC000312687370 913206197 /nfs/dbraw/zinc/20/61/97/913206197.db2.gz PZYJXJOMJLLUQX-OAHLLOKOSA-N 0 3 280.343 1.905 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c([O-])c1 ZINC001272626430 914209238 /nfs/dbraw/zinc/20/92/38/914209238.db2.gz XAHQWTNIHXSISD-INIZCTEOSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c([O-])c1 ZINC001272626430 914209256 /nfs/dbraw/zinc/20/92/56/914209256.db2.gz XAHQWTNIHXSISD-INIZCTEOSA-N 0 3 290.363 1.598 20 10 CDCDHN O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000694583681 898556303 /nfs/dbraw/zinc/55/63/03/898556303.db2.gz GNNUJVMGKLRGTK-OLZOCXBDSA-N 0 3 295.404 1.936 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000294081462 899151139 /nfs/dbraw/zinc/15/11/39/899151139.db2.gz QZNNBWLHDLJULC-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000294081462 899151148 /nfs/dbraw/zinc/15/11/48/899151148.db2.gz QZNNBWLHDLJULC-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COC(=O)C[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141161450 899833426 /nfs/dbraw/zinc/83/34/26/899833426.db2.gz ROKYRXITGCIGKM-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000313344136 900382032 /nfs/dbraw/zinc/38/20/32/900382032.db2.gz CJMLQTXLUHNSQQ-LBPRGKRZSA-N 0 3 270.760 1.595 20 10 CDCDHN CS(=O)(=O)CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000692838632 900604730 /nfs/dbraw/zinc/60/47/30/900604730.db2.gz KNSBEDRLVAHVIA-GFCCVEGCSA-N 0 3 283.393 1.794 20 10 CDCDHN COC[C@H](CO)NCc1ccc2c(c1)CCCO2 ZINC000922081237 921267902 /nfs/dbraw/zinc/26/79/02/921267902.db2.gz KBMGVHSIFLNOKV-ZDUSSCGKSA-N 0 3 251.326 1.109 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCC(O)CC1)CC2 ZINC000321542509 907725922 /nfs/dbraw/zinc/72/59/22/907725922.db2.gz LBVLYHTVEIAOEF-AWEZNQCLSA-N 0 3 276.380 1.426 20 10 CDCDHN O=C1CC[C@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])CCN12 ZINC001172164990 911409922 /nfs/dbraw/zinc/40/99/22/911409922.db2.gz LRBIBFMZFJAZJA-NEPJUHHUSA-N 0 3 276.336 1.341 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000096248678 911865692 /nfs/dbraw/zinc/86/56/92/911865692.db2.gz QZRZCHGZEFLGRU-CVEARBPZSA-N 0 3 275.396 1.267 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CC(F)F ZINC000829764228 936431110 /nfs/dbraw/zinc/43/11/10/936431110.db2.gz HNTVLPLCWZINOR-GFCCVEGCSA-N 0 3 285.338 1.660 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@@H](F)[C@H](O)C3)ccc21 ZINC001138354204 936525135 /nfs/dbraw/zinc/52/51/35/936525135.db2.gz APWPMXRKZOFPOW-GDBMZVCRSA-N 0 3 278.371 1.974 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000832455381 936580203 /nfs/dbraw/zinc/58/02/03/936580203.db2.gz FTUPOWDYQCEAHR-GDBMZVCRSA-N 0 3 278.396 1.955 20 10 CDCDHN Nc1ccc(CCNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000832659196 936590244 /nfs/dbraw/zinc/59/02/44/936590244.db2.gz SCEXNMRIOWILEW-QGZVFWFLSA-N 0 3 295.386 1.815 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000391500079 936658244 /nfs/dbraw/zinc/65/82/44/936658244.db2.gz VOBKOFQJNVINMV-NEPJUHHUSA-N 0 3 262.353 1.972 20 10 CDCDHN CN1CCC2(CN(Cc3cc(F)ccc3O)C2)C1=O ZINC001140056234 936674414 /nfs/dbraw/zinc/67/44/14/936674414.db2.gz NHTHWHWHMGSQEL-UHFFFAOYSA-N 0 3 264.300 1.195 20 10 CDCDHN CN1CC[C@](O)(C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000702602540 922578479 /nfs/dbraw/zinc/57/84/79/922578479.db2.gz IKCHQWSZJGTXDM-ZDUSSCGKSA-N 0 3 270.760 1.202 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001140958214 936784129 /nfs/dbraw/zinc/78/41/29/936784129.db2.gz UIKNWYAEZMMVSX-UHFFFAOYSA-N 0 3 275.352 1.348 20 10 CDCDHN COc1cc(O)c(CN2CCN3CC[C@H]3C2)c(OC)c1 ZINC001141032893 936795879 /nfs/dbraw/zinc/79/58/79/936795879.db2.gz RIIBFTQVESMKKJ-NSHDSACASA-N 0 3 278.352 1.299 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000775686341 924798301 /nfs/dbraw/zinc/79/83/01/924798301.db2.gz IHXHJTYVLDTXHA-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN COc1c([O-])c(CN(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000843050129 937106833 /nfs/dbraw/zinc/10/68/33/937106833.db2.gz DJVQSJIVPBAAHW-UHFFFAOYSA-N 0 3 269.301 1.090 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)=O)C1 ZINC001169559662 928176298 /nfs/dbraw/zinc/17/62/98/928176298.db2.gz IIEZKOCDRHKCSA-CQSZACIVSA-N 0 3 262.353 1.835 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)=O)C1 ZINC001169559662 928176301 /nfs/dbraw/zinc/17/63/01/928176301.db2.gz IIEZKOCDRHKCSA-CQSZACIVSA-N 0 3 262.353 1.835 20 10 CDCDHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(O)c1[O-] ZINC000855899634 928505454 /nfs/dbraw/zinc/50/54/54/928505454.db2.gz QRAJYYINULEFKQ-GFCCVEGCSA-N 0 3 292.379 1.948 20 10 CDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000776868582 928526805 /nfs/dbraw/zinc/52/68/05/928526805.db2.gz IQXHETLBPIKTFF-IVMMDQJWSA-N 0 3 295.379 1.863 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000858601631 928894495 /nfs/dbraw/zinc/89/44/95/928894495.db2.gz HOZNUQBHTBQOQK-DZGCQCFKSA-N 0 3 278.396 1.808 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000788532969 929553460 /nfs/dbraw/zinc/55/34/60/929553460.db2.gz BFWXJCPDVFSVGC-IAQYHMDHSA-N 0 3 281.352 1.420 20 10 CDCDHN [O-]c1c(F)cc(F)cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000882916686 930100686 /nfs/dbraw/zinc/10/06/86/930100686.db2.gz UPTQNJZUVMTLKT-LBPRGKRZSA-N 0 3 286.322 1.217 20 10 CDCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000882916686 930100689 /nfs/dbraw/zinc/10/06/89/930100689.db2.gz UPTQNJZUVMTLKT-LBPRGKRZSA-N 0 3 286.322 1.217 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCO2)c2c1c(F)ccc2[O-] ZINC000817984169 930658559 /nfs/dbraw/zinc/65/85/59/930658559.db2.gz VQYLDTYLKMEVSN-SCVCMEIPSA-N 0 3 280.343 1.658 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c([O-])c1 ZINC000886229742 930832359 /nfs/dbraw/zinc/83/23/59/930832359.db2.gz VFXURQLOBVLOCI-KGLIPLIRSA-N 0 3 295.379 1.811 20 10 CDCDHN C[NH2+][C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219381850 930877691 /nfs/dbraw/zinc/87/76/91/930877691.db2.gz XZSFHHIAAKJFAP-LLVKDONJSA-N 0 3 285.185 1.948 20 10 CDCDHN C[C@@H]1CN(Cc2c(O)cc(O)cc2O)[C@@H](C)CO1 ZINC001144516179 931880747 /nfs/dbraw/zinc/88/07/47/931880747.db2.gz RZPQZSDSNODLBQ-DTWKUNHWSA-N 0 3 253.298 1.413 20 10 CDCDHN COc1cccc([C@@H](C)NCc2cncn2C)c1O ZINC000846172718 931985124 /nfs/dbraw/zinc/98/51/24/931985124.db2.gz OODPTVLYZKQSJL-SNVBAGLBSA-N 0 3 261.325 1.985 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1F ZINC000158819632 934302655 /nfs/dbraw/zinc/30/26/55/934302655.db2.gz OJIXOTZOXQMMDJ-UHFFFAOYSA-N 0 3 293.386 1.992 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381947878 935789822 /nfs/dbraw/zinc/78/98/22/935789822.db2.gz ANNGUHRDPUEGJA-ZYHUDNBSSA-N 0 3 262.353 1.882 20 10 CDCDHN NCCS(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001238379050 945165458 /nfs/dbraw/zinc/16/54/58/945165458.db2.gz NTUYWAWJXAOXOA-UHFFFAOYSA-N 0 3 297.424 1.055 20 10 CDCDHN CCNC(=O)COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203563229 939693425 /nfs/dbraw/zinc/69/34/25/939693425.db2.gz WAWHHKFIMIHXRU-UHFFFAOYSA-N 0 3 292.379 1.509 20 10 CDCDHN Oc1ccc(CN2CCCC[C@@](O)(CF)C2)cc1O ZINC001203874863 939710234 /nfs/dbraw/zinc/71/02/34/939710234.db2.gz DPANTOTXPFBSRS-CQSZACIVSA-N 0 3 269.316 1.784 20 10 CDCDHN COc1cc([O-])c(CN2CC(C)(C[NH3+])C2)cc1Cl ZINC001206730733 940082544 /nfs/dbraw/zinc/08/25/44/940082544.db2.gz XRLPDKVKSZSHIB-UHFFFAOYSA-N 0 3 270.760 1.835 20 10 CDCDHN COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000400149490 940842799 /nfs/dbraw/zinc/84/27/99/940842799.db2.gz AUPPRQSYOKTQJK-ZDUSSCGKSA-N 0 3 298.408 1.127 20 10 CDCDHN Nc1ccc(CC(=O)Nc2cc([C@@H]3CCCN3)no2)cc1 ZINC001218714144 941261291 /nfs/dbraw/zinc/26/12/91/941261291.db2.gz VBZXGGANYJIQOF-LBPRGKRZSA-N 0 3 286.335 1.863 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441239 942576290 /nfs/dbraw/zinc/57/62/90/942576290.db2.gz JZCHBWSDVDQTHP-DABQJJPHSA-N 0 3 260.337 1.336 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441239 942576292 /nfs/dbraw/zinc/57/62/92/942576292.db2.gz JZCHBWSDVDQTHP-DABQJJPHSA-N 0 3 260.337 1.336 20 10 CDCDHN C[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482783 943591061 /nfs/dbraw/zinc/59/10/61/943591061.db2.gz BRXMIJLYGCXXTB-OQPBUACISA-N 0 3 253.298 1.006 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001237042762 944642558 /nfs/dbraw/zinc/64/25/58/944642558.db2.gz GXMIYYNLYPKSOW-FZMZJTMJSA-N 0 3 290.363 1.359 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001237042762 944642562 /nfs/dbraw/zinc/64/25/62/944642562.db2.gz GXMIYYNLYPKSOW-FZMZJTMJSA-N 0 3 290.363 1.359 20 10 CDCDHN CC(C)c1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001237044975 944646941 /nfs/dbraw/zinc/64/69/41/944646941.db2.gz GHRNGXSRWGPZKH-AWEZNQCLSA-N 0 3 265.353 1.709 20 10 CDCDHN OCC1CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057480 944648803 /nfs/dbraw/zinc/64/88/03/944648803.db2.gz SQCIFRXGLIAKDX-UHFFFAOYSA-N 0 3 291.269 1.757 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001238060431 945046336 /nfs/dbraw/zinc/04/63/36/945046336.db2.gz IDJWGDPHCFWFHC-YPMHNXCESA-N 0 3 278.327 1.360 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001238060431 945046345 /nfs/dbraw/zinc/04/63/45/945046345.db2.gz IDJWGDPHCFWFHC-YPMHNXCESA-N 0 3 278.327 1.360 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001238065723 945047460 /nfs/dbraw/zinc/04/74/60/945047460.db2.gz ZUWITWLHBYHVGO-DZGCQCFKSA-N 0 3 283.343 1.405 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001256015567 948158588 /nfs/dbraw/zinc/15/85/88/948158588.db2.gz BGZFXGIZPZNJDP-LLVKDONJSA-N 0 3 280.324 1.418 20 10 CDCDHN Cc1n[nH]c(=O)c(C[NH2+]Cc2cc(F)ccc2[O-])c1C ZINC001341943729 963585358 /nfs/dbraw/zinc/58/53/58/963585358.db2.gz FBEASDXUTYPVDO-UHFFFAOYSA-N 0 3 277.299 1.934 20 10 CDCDHN Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000848563893 969176306 /nfs/dbraw/zinc/17/63/06/969176306.db2.gz YQSYFAFCKARMIU-NEPJUHHUSA-N 0 3 284.363 1.655 20 10 CDCDHN COc1ccc(CNC(=[NH2+])N2CCSCC2)c([O-])c1 ZINC000849025136 969414968 /nfs/dbraw/zinc/41/49/68/969414968.db2.gz OUVHBYXUPXSKOB-UHFFFAOYSA-N 0 3 281.381 1.474 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1[O-] ZINC001575033087 1171089345 /nfs/dbraw/zinc/08/93/45/1171089345.db2.gz DBJILJIIIINXOE-WBMJQRKESA-N 0 3 292.354 1.775 20 10 CDCDHN CC[C@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000295021635 199304498 /nfs/dbraw/zinc/30/44/98/199304498.db2.gz CHNKNFUYOPTJEY-SNVBAGLBSA-N 0 3 253.298 1.324 20 10 CDCDHN CC[C@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000295021635 199304500 /nfs/dbraw/zinc/30/45/00/199304500.db2.gz CHNKNFUYOPTJEY-SNVBAGLBSA-N 0 3 253.298 1.324 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC[C@H](C)CCO)cc1OC ZINC000295025876 199306657 /nfs/dbraw/zinc/30/66/57/199306657.db2.gz CRVDFWSOVVBFKM-NSHDSACASA-N 0 3 283.368 1.908 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036795000 356253836 /nfs/dbraw/zinc/25/38/36/356253836.db2.gz KFYBGPJZROMKDV-UWVGGRQHSA-N 0 3 266.341 1.576 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1CO ZINC000191724938 358149955 /nfs/dbraw/zinc/14/99/55/358149955.db2.gz COEXXZIPCLSXQT-KOLCDFICSA-N 0 3 265.309 1.181 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1CO ZINC000191724938 358149956 /nfs/dbraw/zinc/14/99/56/358149956.db2.gz COEXXZIPCLSXQT-KOLCDFICSA-N 0 3 265.309 1.181 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)(C)CO ZINC000294845304 199209695 /nfs/dbraw/zinc/20/96/95/199209695.db2.gz RNPCZOUPLYXUGO-UHFFFAOYSA-N 0 3 267.325 1.571 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)(C)CO ZINC000294845304 199209696 /nfs/dbraw/zinc/20/96/96/199209696.db2.gz RNPCZOUPLYXUGO-UHFFFAOYSA-N 0 3 267.325 1.571 20 10 CDCDHN COc1ccc(O)c(CN2CC(C(C)(C)O)C2)c1 ZINC000297356001 200159873 /nfs/dbraw/zinc/15/98/73/200159873.db2.gz GZNDHFWKAILZIO-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610487 359703752 /nfs/dbraw/zinc/70/37/52/359703752.db2.gz ONUAIZSMICXJPS-UFBFGSQYSA-N 0 3 259.346 1.733 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC(O)(COC)CC2)c1 ZINC000271207211 364975777 /nfs/dbraw/zinc/97/57/77/364975777.db2.gz WQBNANZGASNNCD-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN Cc1ccc([C@@H](C)NCCS(C)(=O)=O)c(O)c1C ZINC000273603186 365511405 /nfs/dbraw/zinc/51/14/05/365511405.db2.gz SNCPPWXHIGGMRI-LLVKDONJSA-N 0 3 271.382 1.704 20 10 CDCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273689854 365517945 /nfs/dbraw/zinc/51/79/45/365517945.db2.gz BFHNILCTSUDXHF-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273689854 365517951 /nfs/dbraw/zinc/51/79/51/365517951.db2.gz BFHNILCTSUDXHF-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273689854 365517955 /nfs/dbraw/zinc/51/79/55/365517955.db2.gz BFHNILCTSUDXHF-CQSZACIVSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000273467204 365499459 /nfs/dbraw/zinc/49/94/59/365499459.db2.gz FAVLWSRJDZVKBW-NHYWBVRUSA-N 0 3 275.352 1.818 20 10 CDCDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000281249102 367613993 /nfs/dbraw/zinc/61/39/93/367613993.db2.gz WZPQYAXEYIWWTM-INIZCTEOSA-N 0 3 293.386 1.850 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530223201 368151443 /nfs/dbraw/zinc/15/14/43/368151443.db2.gz HFJFPOPZCRZGPN-NWDGAFQWSA-N 0 3 250.342 1.340 20 10 CDCDHN C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1[O-] ZINC000271700374 371079168 /nfs/dbraw/zinc/07/91/68/371079168.db2.gz TXLABNAOQOSRHI-QMMMGPOBSA-N 0 3 258.268 1.424 20 10 CDCDHN CC[C@@H]([NH2+]CCCC(=O)NC)c1ccccc1[O-] ZINC000274939969 371197710 /nfs/dbraw/zinc/19/77/10/371197710.db2.gz SRJYAVRBBDLKKV-GFCCVEGCSA-N 0 3 250.342 1.959 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c([O-])c1C ZINC000296094957 378717151 /nfs/dbraw/zinc/71/71/51/378717151.db2.gz YLHCOORHYWQGLP-CYZMBNFOSA-N 0 3 251.326 1.419 20 10 CDCDHN COc1cccc(CN2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000121488859 390887517 /nfs/dbraw/zinc/88/75/17/390887517.db2.gz OPTUCJWAOWWUFE-ZDUSSCGKSA-N 0 3 290.363 1.644 20 10 CDCDHN Cc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000362048111 397668458 /nfs/dbraw/zinc/66/84/58/397668458.db2.gz VLTYXBHZVDDIRU-CVEARBPZSA-N 0 3 290.407 1.732 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083266 174092724 /nfs/dbraw/zinc/09/27/24/174092724.db2.gz RCJRJCPSWZXEIY-VXGBXAGGSA-N 0 3 283.393 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000071407139 176156120 /nfs/dbraw/zinc/15/61/20/176156120.db2.gz RQQBPMNOLWCFCR-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN C[C@@H](NCCOCCO)c1ccc(N2CCOCC2)cc1 ZINC000159089007 261177791 /nfs/dbraw/zinc/17/77/91/261177791.db2.gz AUYNLSNMKPDZTE-CQSZACIVSA-N 0 3 294.395 1.183 20 10 CDCDHN COc1ccc(CN[C@H](C)C[S@@](C)=O)cc1C ZINC000168211051 261411667 /nfs/dbraw/zinc/41/16/67/261411667.db2.gz QFJPEUAHOYCPTI-DIFFPNOSSA-N 0 3 255.383 1.860 20 10 CDCDHN CS(=O)(=O)CCCCC[NH2+]Cc1ccccc1[O-] ZINC000185213114 262045907 /nfs/dbraw/zinc/04/59/07/262045907.db2.gz LJDMNBPOEBFKIU-UHFFFAOYSA-N 0 3 271.382 1.697 20 10 CDCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000186089422 262078837 /nfs/dbraw/zinc/07/88/37/262078837.db2.gz VKHHEXYKRRDSKY-ONGXEEELSA-N 0 3 278.327 1.945 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ccc2[O-])C1 ZINC000186475264 262094487 /nfs/dbraw/zinc/09/44/87/262094487.db2.gz JTCGLAMBAIVJHQ-LBPRGKRZSA-N 0 3 294.351 1.721 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368443842 267172484 /nfs/dbraw/zinc/17/24/84/267172484.db2.gz WEHWTLSNYGKXJT-NSHDSACASA-N 0 3 263.337 1.869 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296880390 280001231 /nfs/dbraw/zinc/00/12/31/280001231.db2.gz OEJBZQZOXAAAQO-ZYHUDNBSSA-N 0 3 283.393 1.792 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000279675429 328233244 /nfs/dbraw/zinc/23/32/44/328233244.db2.gz IHTBJAFRZZWQBF-UHFFFAOYSA-N 0 3 269.366 1.449 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2COC[C@@H]2OC)c([O-])c1 ZINC000289777277 520375164 /nfs/dbraw/zinc/37/51/64/520375164.db2.gz KGQJWGCXJPYXGW-ZFWWWQNUSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000278349053 522261291 /nfs/dbraw/zinc/26/12/91/522261291.db2.gz MMYYSWUWWYNZIX-TZMCWYRMSA-N 0 3 283.368 1.236 20 10 CDCDHN COC[C@@H](C)OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000278349053 522261303 /nfs/dbraw/zinc/26/13/03/522261303.db2.gz MMYYSWUWWYNZIX-TZMCWYRMSA-N 0 3 283.368 1.236 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000280302039 522922883 /nfs/dbraw/zinc/92/28/83/522922883.db2.gz ZYHBAZSQXBRYFN-DGCLKSJQSA-N 0 3 262.353 1.972 20 10 CDCDHN COCCOCCNCc1ccc(OC)c(C)c1 ZINC000044424179 524010290 /nfs/dbraw/zinc/01/02/90/524010290.db2.gz LKTIRVDFLXEFEN-UHFFFAOYSA-N 0 3 253.342 1.756 20 10 CDCDHN Cc1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274954308 524408108 /nfs/dbraw/zinc/40/81/08/524408108.db2.gz SSCCSXXTWUAJQU-UHFFFAOYSA-N 0 3 271.320 1.342 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187117552 526772580 /nfs/dbraw/zinc/77/25/80/526772580.db2.gz WBXLLJAOWLMLJW-GFCCVEGCSA-N 0 3 290.363 1.656 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280443725 527579358 /nfs/dbraw/zinc/57/93/58/527579358.db2.gz CUYBVYUFPQLSBZ-ZYHUDNBSSA-N 0 3 269.316 1.266 20 10 CDCDHN CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732279225 575086328 /nfs/dbraw/zinc/08/63/28/575086328.db2.gz LTLCKNYHYSSXCB-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732279225 575086329 /nfs/dbraw/zinc/08/63/29/575086329.db2.gz LTLCKNYHYSSXCB-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2COCCO2)cc1F ZINC000733324929 575114547 /nfs/dbraw/zinc/11/45/47/575114547.db2.gz LNNMWMDDONBQCV-LBPRGKRZSA-N 0 3 268.332 1.397 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000769566773 575360901 /nfs/dbraw/zinc/36/09/01/575360901.db2.gz HRXKWZCONPCYNH-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769566773 575360903 /nfs/dbraw/zinc/36/09/03/575360903.db2.gz HRXKWZCONPCYNH-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN CCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000771641410 575599795 /nfs/dbraw/zinc/59/97/95/575599795.db2.gz LFTJCPARKPDKEQ-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN CCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000771641410 575599796 /nfs/dbraw/zinc/59/97/96/575599796.db2.gz LFTJCPARKPDKEQ-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000771929221 575638092 /nfs/dbraw/zinc/63/80/92/575638092.db2.gz VDFBZPFIZPOULA-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000771929221 575638093 /nfs/dbraw/zinc/63/80/93/575638093.db2.gz VDFBZPFIZPOULA-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COCC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000765272709 576003662 /nfs/dbraw/zinc/00/36/62/576003662.db2.gz UBKZARNVHDHSKN-UHFFFAOYSA-N 0 3 251.282 1.390 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000768533222 576294476 /nfs/dbraw/zinc/29/44/76/576294476.db2.gz JEDOHCLQWXBXKT-CQSZACIVSA-N 0 3 283.299 1.343 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000761222164 576561321 /nfs/dbraw/zinc/56/13/21/576561321.db2.gz IMCWPUUSELAHHU-JSGCOSHPSA-N 0 3 269.316 1.815 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000742375139 576598317 /nfs/dbraw/zinc/59/83/17/576598317.db2.gz IUTVJDCZHJEHRM-OAHLLOKOSA-N 0 3 277.320 1.991 20 10 CDCDHN C[C@@H]1CCN(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000744450207 576681202 /nfs/dbraw/zinc/68/12/02/576681202.db2.gz OVHXWTZFQJXMPQ-LLVKDONJSA-N 0 3 278.352 1.552 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c([O-])c1 ZINC000754084831 576878678 /nfs/dbraw/zinc/87/86/78/576878678.db2.gz CWBOXJBUNSQLTH-JTQLQIEISA-N 0 3 287.381 1.314 20 10 CDCDHN CC1CCN(CCNC(=O)NCc2ccccc2O)CC1 ZINC000748458663 576913660 /nfs/dbraw/zinc/91/36/60/576913660.db2.gz AGXQPEHEUUSUEJ-UHFFFAOYSA-N 0 3 291.395 1.923 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000758613420 577121985 /nfs/dbraw/zinc/12/19/85/577121985.db2.gz AYMQGTCCPQMPED-SNVBAGLBSA-N 0 3 275.295 1.897 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](CO)CC(F)F)c1 ZINC000758613420 577121988 /nfs/dbraw/zinc/12/19/88/577121988.db2.gz AYMQGTCCPQMPED-SNVBAGLBSA-N 0 3 275.295 1.897 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895329871 619575192 /nfs/dbraw/zinc/57/51/92/619575192.db2.gz KGJHJXTUHJSXBG-DOMZBBRYSA-N 0 3 281.352 1.109 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895329871 619575197 /nfs/dbraw/zinc/57/51/97/619575197.db2.gz KGJHJXTUHJSXBG-DOMZBBRYSA-N 0 3 281.352 1.109 20 10 CDCDHN CC(C)([NH2+]Cc1ccccc1[O-])C(=O)N1CCCC1 ZINC000793395893 1162418181 /nfs/dbraw/zinc/41/81/81/1162418181.db2.gz NRKDXEWJKBOPAD-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN CNC(=O)[C@H](CCSC)NCc1ccc(OC)c(C)c1 ZINC000808437286 1162851510 /nfs/dbraw/zinc/85/15/10/1162851510.db2.gz KUVPGGNYBPKDQY-ZDUSSCGKSA-N 0 3 296.436 1.961 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)ccc1[O-] ZINC000872140850 1165383450 /nfs/dbraw/zinc/38/34/50/1165383450.db2.gz AVJIAQPCSSBWSX-XTWCZFFVSA-N 0 3 255.289 1.332 20 10 CDCDHN CCCOc1ccc(CN[C@@H]2COC[C@@H]2O)cc1C ZINC000873147558 1165515566 /nfs/dbraw/zinc/51/55/66/1165515566.db2.gz WUUKSZBRMPAAFG-KGLIPLIRSA-N 0 3 265.353 1.633 20 10 CDCDHN COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC000093051905 905253278 /nfs/dbraw/zinc/25/32/78/905253278.db2.gz JQBWNSAJDAGFLC-UHFFFAOYSA-N 0 3 279.340 1.034 20 10 CDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)C1COC1 ZINC001139412770 936618139 /nfs/dbraw/zinc/61/81/39/936618139.db2.gz NFTXSMMEWWDQHT-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC001140058751 936675066 /nfs/dbraw/zinc/67/50/66/936675066.db2.gz KWWGOKYOIBPBNA-IMRBUKKESA-N 0 3 279.311 1.772 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC001140058751 936675068 /nfs/dbraw/zinc/67/50/68/936675068.db2.gz KWWGOKYOIBPBNA-IMRBUKKESA-N 0 3 279.311 1.772 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC001140058751 936675070 /nfs/dbraw/zinc/67/50/70/936675070.db2.gz KWWGOKYOIBPBNA-IMRBUKKESA-N 0 3 279.311 1.772 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@@H](F)[C@H](O)C2)c1O ZINC001140742472 936747965 /nfs/dbraw/zinc/74/79/65/936747965.db2.gz PLEICSYOAADDQH-ZYHUDNBSSA-N 0 3 255.289 1.311 20 10 CDCDHN Cc1cc(Cl)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204843731 939797362 /nfs/dbraw/zinc/79/73/62/939797362.db2.gz USQIJRXDAINUJY-MNOVXSKESA-N 0 3 258.724 1.835 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CO)c(OC)c1 ZINC001141031286 936795247 /nfs/dbraw/zinc/79/52/47/936795247.db2.gz BKZROXULDSMBNG-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2CO)c(OC)c1 ZINC001141031286 936795249 /nfs/dbraw/zinc/79/52/49/936795249.db2.gz BKZROXULDSMBNG-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031353 936795287 /nfs/dbraw/zinc/79/52/87/936795287.db2.gz DJBQTEUNKJNIIE-QWHCGFSZSA-N 0 3 299.342 1.704 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031353 936795288 /nfs/dbraw/zinc/79/52/88/936795288.db2.gz DJBQTEUNKJNIIE-QWHCGFSZSA-N 0 3 299.342 1.704 20 10 CDCDHN O=C1COC2(C1)CCN(Cc1cc(O)ccc1O)CC2 ZINC001141156239 936821263 /nfs/dbraw/zinc/82/12/63/936821263.db2.gz IGAGGZPHLBFZBY-UHFFFAOYSA-N 0 3 277.320 1.422 20 10 CDCDHN CN1CCO[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001275949863 932162261 /nfs/dbraw/zinc/16/22/61/932162261.db2.gz MCAJWQPEZYNYOT-MRXNPFEDSA-N 0 3 292.379 1.394 20 10 CDCDHN CN1CCO[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001275949863 932162266 /nfs/dbraw/zinc/16/22/66/932162266.db2.gz MCAJWQPEZYNYOT-MRXNPFEDSA-N 0 3 292.379 1.394 20 10 CDCDHN CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148587052 932752355 /nfs/dbraw/zinc/75/23/55/932752355.db2.gz BSKNVRHNBGQAFA-LLVKDONJSA-N 0 3 294.351 1.358 20 10 CDCDHN CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148587052 932752358 /nfs/dbraw/zinc/75/23/58/932752358.db2.gz BSKNVRHNBGQAFA-LLVKDONJSA-N 0 3 294.351 1.358 20 10 CDCDHN O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1ccccc1[O-] ZINC001203552560 939692898 /nfs/dbraw/zinc/69/28/98/939692898.db2.gz ODDBZTQSHGRPGO-UHFFFAOYSA-N 0 3 286.375 1.979 20 10 CDCDHN O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1ccccc1[O-] ZINC001203552560 939692899 /nfs/dbraw/zinc/69/28/99/939692899.db2.gz ODDBZTQSHGRPGO-UHFFFAOYSA-N 0 3 286.375 1.979 20 10 CDCDHN CN(C)C1CN(Cc2cc(Br)ccc2O)C1 ZINC001203636236 939698843 /nfs/dbraw/zinc/69/88/43/939698843.db2.gz QVKKIBHUOVJFHC-UHFFFAOYSA-N 0 3 285.185 1.901 20 10 CDCDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203880706 939710929 /nfs/dbraw/zinc/71/09/29/939710929.db2.gz WQQQLPOFWOUSPI-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN CC(=O)N1CCC[C@@H](N(C)Cc2ccc(O)c(O)c2)C1 ZINC001203881716 939711418 /nfs/dbraw/zinc/71/14/18/939711418.db2.gz UFBMABKBWQKWKT-CYBMUJFWSA-N 0 3 278.352 1.541 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@]1(C)O ZINC001204276540 939750742 /nfs/dbraw/zinc/75/07/42/939750742.db2.gz MMIXXIWHJZEIBC-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@]1(C)O ZINC001204276540 939750745 /nfs/dbraw/zinc/75/07/45/939750745.db2.gz MMIXXIWHJZEIBC-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277804 939751410 /nfs/dbraw/zinc/75/14/10/939751410.db2.gz APHYXDWFAGMKTF-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277804 939751412 /nfs/dbraw/zinc/75/14/12/939751412.db2.gz APHYXDWFAGMKTF-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN Cc1noc([C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204280670 939752337 /nfs/dbraw/zinc/75/23/37/939752337.db2.gz LWMGFAGONZRQFY-NSHDSACASA-N 0 3 275.308 1.779 20 10 CDCDHN Cc1noc([C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204280670 939752338 /nfs/dbraw/zinc/75/23/38/939752338.db2.gz LWMGFAGONZRQFY-NSHDSACASA-N 0 3 275.308 1.779 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(OC)c1 ZINC001204351426 939760040 /nfs/dbraw/zinc/76/00/40/939760040.db2.gz RBDSSRLOFDQMJO-RYUDHWBXSA-N 0 3 278.352 1.385 20 10 CDCDHN [NH3+][C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205117940 939824683 /nfs/dbraw/zinc/82/46/83/939824683.db2.gz ZHVXGVNGQQSOND-SNVBAGLBSA-N 0 3 256.296 1.984 20 10 CDCDHN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC[NH+](C)CC1 ZINC001231563311 942927596 /nfs/dbraw/zinc/92/75/96/942927596.db2.gz HLOABARWNYGQDT-UHFFFAOYSA-N 0 3 292.379 1.864 20 10 CDCDHN C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC[NH+](C)CC1 ZINC001231563311 942927600 /nfs/dbraw/zinc/92/76/00/942927600.db2.gz HLOABARWNYGQDT-UHFFFAOYSA-N 0 3 292.379 1.864 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c([O-])c1 ZINC001277569107 943020618 /nfs/dbraw/zinc/02/06/18/943020618.db2.gz VUEFJTOYBFJPMM-CZUORRHYSA-N 0 3 274.364 1.611 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c([O-])c1 ZINC001277569107 943020624 /nfs/dbraw/zinc/02/06/24/943020624.db2.gz VUEFJTOYBFJPMM-CZUORRHYSA-N 0 3 274.364 1.611 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@]3(CCCO3)C2)cc1O ZINC001233483217 943592635 /nfs/dbraw/zinc/59/26/35/943592635.db2.gz RAKRCHUGPKRXII-CQSZACIVSA-N 0 3 265.309 1.558 20 10 CDCDHN O=C1CC[C@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)O1 ZINC001233487057 943595794 /nfs/dbraw/zinc/59/57/94/943595794.db2.gz NTJFIQFNLOQPEY-HNNXBMFYSA-N 0 3 293.319 1.475 20 10 CDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236291312 944449913 /nfs/dbraw/zinc/44/99/13/944449913.db2.gz LKFZUUMQQDHBNW-MWLCHTKSSA-N 0 3 272.270 1.815 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC001237043885 944643868 /nfs/dbraw/zinc/64/38/68/944643868.db2.gz KHEXOKZJQPPAOD-UHFFFAOYSA-N 0 3 293.367 1.424 20 10 CDCDHN CC(C)c1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC001237046970 944646366 /nfs/dbraw/zinc/64/63/66/944646366.db2.gz XXWMLXUKFZMSQT-UHFFFAOYSA-N 0 3 262.353 1.838 20 10 CDCDHN Cc1cc(F)cc(CN2CCC(=O)N(C)CC2)c1O ZINC001238061815 945043708 /nfs/dbraw/zinc/04/37/08/945043708.db2.gz IYRAKGARDWFIBO-UHFFFAOYSA-N 0 3 266.316 1.504 20 10 CDCDHN CC(=O)NC1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238058402 945045338 /nfs/dbraw/zinc/04/53/38/945045338.db2.gz RLIMDVJDFVMAIP-UHFFFAOYSA-N 0 3 280.343 1.940 20 10 CDCDHN COC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001258362234 948785861 /nfs/dbraw/zinc/78/58/61/948785861.db2.gz YCQADGXMINVBNB-VIFPVBQESA-N 0 3 253.298 1.529 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001249177500 949440339 /nfs/dbraw/zinc/44/03/39/949440339.db2.gz AYORKJPRIWWEED-ABAIWWIYSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001249177500 949440352 /nfs/dbraw/zinc/44/03/52/949440352.db2.gz AYORKJPRIWWEED-ABAIWWIYSA-N 0 3 293.363 1.310 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252654576 951541351 /nfs/dbraw/zinc/54/13/51/951541351.db2.gz CEVWKAQPWMGYQE-CYBMUJFWSA-N 0 3 293.319 1.358 20 10 CDCDHN COc1cccc([C@@H](C)NCC(=O)NCC(C)C)c1O ZINC001329675553 956056818 /nfs/dbraw/zinc/05/68/18/956056818.db2.gz PUZRKAZFVJWTHX-LLVKDONJSA-N 0 3 280.368 1.824 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@H](CO)CC(F)F)c([O-])c1 ZINC001308684441 956559311 /nfs/dbraw/zinc/55/93/11/956559311.db2.gz HJCBCMQKRSBVGD-VIFPVBQESA-N 0 3 275.295 1.815 20 10 CDCDHN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(C)(C)C ZINC001334716872 959304411 /nfs/dbraw/zinc/30/44/11/959304411.db2.gz AQAFGOOWCTVUSN-UHFFFAOYSA-N 0 3 285.384 1.882 20 10 CDCDHN CC(C(=O)N(C)Cc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000047797523 357164776 /nfs/dbraw/zinc/16/47/76/357164776.db2.gz XQDFIMRWCFGJFY-NSHDSACASA-N 0 3 298.408 1.144 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000179643699 357218781 /nfs/dbraw/zinc/21/87/81/357218781.db2.gz FKWQQJTWYULSQP-NSHDSACASA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179643699 357218784 /nfs/dbraw/zinc/21/87/84/357218784.db2.gz FKWQQJTWYULSQP-NSHDSACASA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179643699 357218786 /nfs/dbraw/zinc/21/87/86/357218786.db2.gz FKWQQJTWYULSQP-NSHDSACASA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000179893931 357230214 /nfs/dbraw/zinc/23/02/14/357230214.db2.gz INYSQKPPCPQALE-GFCCVEGCSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000179893931 357230215 /nfs/dbraw/zinc/23/02/15/357230215.db2.gz INYSQKPPCPQALE-GFCCVEGCSA-N 0 3 279.336 1.928 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179950694 357232096 /nfs/dbraw/zinc/23/20/96/357232096.db2.gz AAOIVTMISBZNLW-HNNXBMFYSA-N 0 3 294.370 1.828 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179950694 357232100 /nfs/dbraw/zinc/23/21/00/357232100.db2.gz AAOIVTMISBZNLW-HNNXBMFYSA-N 0 3 294.370 1.828 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1OC ZINC000180865293 357291504 /nfs/dbraw/zinc/29/15/04/357291504.db2.gz SJOGUTFUZKKDHW-WDEREUQCSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1OC ZINC000180865293 357291507 /nfs/dbraw/zinc/29/15/07/357291507.db2.gz SJOGUTFUZKKDHW-WDEREUQCSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCOCC(F)F)cc1OC ZINC000189003848 357961833 /nfs/dbraw/zinc/96/18/33/357961833.db2.gz ONVOYUJSDCJEFF-UHFFFAOYSA-N 0 3 291.294 1.781 20 10 CDCDHN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1[O-] ZINC000192984717 358254599 /nfs/dbraw/zinc/25/45/99/358254599.db2.gz FXYMCYRORFQOAT-SNVBAGLBSA-N 0 3 276.336 1.312 20 10 CDCDHN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1[O-] ZINC000192984717 358254604 /nfs/dbraw/zinc/25/46/04/358254604.db2.gz FXYMCYRORFQOAT-SNVBAGLBSA-N 0 3 276.336 1.312 20 10 CDCDHN CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107008 358265486 /nfs/dbraw/zinc/26/54/86/358265486.db2.gz NKPPYISQYIQPRP-LBPRGKRZSA-N 0 3 292.379 1.902 20 10 CDCDHN COc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O ZINC000364514569 358438148 /nfs/dbraw/zinc/43/81/48/358438148.db2.gz XYEFSIPFAQXRTJ-GFCCVEGCSA-N 0 3 274.324 1.439 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCN2CCSCC2)c1 ZINC000225927759 358762398 /nfs/dbraw/zinc/76/23/98/358762398.db2.gz DPSKZOHOCNXONH-UHFFFAOYSA-N 0 3 282.409 1.539 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000281598993 367660529 /nfs/dbraw/zinc/66/05/29/367660529.db2.gz MANQKYPXSJEWQQ-MWLCHTKSSA-N 0 3 257.305 1.579 20 10 CDCDHN COc1ccc(CN[C@]2(CO)CCOC2)cc1C ZINC000273468947 371164989 /nfs/dbraw/zinc/16/49/89/371164989.db2.gz IVXQPMAYVOAWPD-AWEZNQCLSA-N 0 3 251.326 1.245 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809168 390904307 /nfs/dbraw/zinc/90/43/07/390904307.db2.gz UWEMUIXQGAEPRQ-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809168 390904309 /nfs/dbraw/zinc/90/43/09/390904309.db2.gz UWEMUIXQGAEPRQ-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN NC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000093809209 390904358 /nfs/dbraw/zinc/90/43/58/390904358.db2.gz RLICYLYOOFPNDW-SNVBAGLBSA-N 0 3 292.335 1.208 20 10 CDCDHN NC(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000093809209 390904359 /nfs/dbraw/zinc/90/43/59/390904359.db2.gz RLICYLYOOFPNDW-SNVBAGLBSA-N 0 3 292.335 1.208 20 10 CDCDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000373237193 391112208 /nfs/dbraw/zinc/11/22/08/391112208.db2.gz OPZJMPQWXCIMFU-GFCCVEGCSA-N 0 3 261.369 1.463 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000183491684 391266228 /nfs/dbraw/zinc/26/62/28/391266228.db2.gz MSVSGAPTXDNGPV-LSDHHAIUSA-N 0 3 291.439 1.926 20 10 CDCDHN CC(C)(O)C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000189942663 391319580 /nfs/dbraw/zinc/31/95/80/391319580.db2.gz GBYGWPRRFAJPKY-UHFFFAOYSA-N 0 3 279.336 1.856 20 10 CDCDHN CC(C)(O)C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000189942663 391319585 /nfs/dbraw/zinc/31/95/85/391319585.db2.gz GBYGWPRRFAJPKY-UHFFFAOYSA-N 0 3 279.336 1.856 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000195006845 391374056 /nfs/dbraw/zinc/37/40/56/391374056.db2.gz BGWABKITWHHUSW-NOZJJQNGSA-N 0 3 264.325 1.015 20 10 CDCDHN CCN(CC)c1ccc(CN[C@]2(CO)CCOC2)cc1F ZINC000184196944 262011943 /nfs/dbraw/zinc/01/19/43/262011943.db2.gz XKZBMPBIZWXODI-INIZCTEOSA-N 0 3 296.386 1.913 20 10 CDCDHN CCOCc1cc(CN[C@@H](CO)CCOC)ccc1OC ZINC000282364481 263076241 /nfs/dbraw/zinc/07/62/41/263076241.db2.gz WLGCAZKRVFHFQC-OAHLLOKOSA-N 0 3 297.395 1.719 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@H](C)OC)cc1OC ZINC000284977029 263088917 /nfs/dbraw/zinc/08/89/17/263088917.db2.gz BOGQWIRGDJAMSB-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@H](C)OC)cc1OC ZINC000284977029 263088918 /nfs/dbraw/zinc/08/89/18/263088918.db2.gz BOGQWIRGDJAMSB-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@H](C)OC)cc1OC ZINC000284977029 263088919 /nfs/dbraw/zinc/08/89/19/263088919.db2.gz BOGQWIRGDJAMSB-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CC[S@@](C)=O)c1 ZINC000125534584 264013194 /nfs/dbraw/zinc/01/31/94/264013194.db2.gz ICQSPVCOXRWSKV-DIFFPNOSSA-N 0 3 255.383 1.947 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000376859203 268025569 /nfs/dbraw/zinc/02/55/69/268025569.db2.gz YCNRNLDCXYWATP-LBPRGKRZSA-N 0 3 273.336 1.771 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000264948793 328163430 /nfs/dbraw/zinc/16/34/30/328163430.db2.gz JUKWCAVBDCLLDC-CQSZACIVSA-N 0 3 264.369 1.511 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1 ZINC000185002834 329264540 /nfs/dbraw/zinc/26/45/40/329264540.db2.gz YNTHFRBKMPVTPF-GFCCVEGCSA-N 0 3 292.379 1.633 20 10 CDCDHN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000134230761 329658080 /nfs/dbraw/zinc/65/80/80/329658080.db2.gz REPUGCCIHDYZQO-GHMZBOCLSA-N 0 3 250.342 1.785 20 10 CDCDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000223946799 333214382 /nfs/dbraw/zinc/21/43/82/333214382.db2.gz TUFVLEZMEODTEK-JSGCOSHPSA-N 0 3 266.385 1.801 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616855 519501572 /nfs/dbraw/zinc/50/15/72/519501572.db2.gz FXBJJWKVROINSO-JTQLQIEISA-N 0 3 268.332 1.954 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280315867 521152808 /nfs/dbraw/zinc/15/28/08/521152808.db2.gz OVFQZDCUUMITDZ-JSGCOSHPSA-N 0 3 295.379 1.526 20 10 CDCDHN CCOc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000131003030 521332604 /nfs/dbraw/zinc/33/26/04/521332604.db2.gz PVGKBRIJOXPROF-NSPYISDASA-N 0 3 285.409 1.990 20 10 CDCDHN CCOc1cccc(C[NH2+]CC(C)(C)C(=O)NC)c1[O-] ZINC000120139316 521361080 /nfs/dbraw/zinc/36/10/80/521361080.db2.gz WONADFSTDCRVKN-UHFFFAOYSA-N 0 3 280.368 1.653 20 10 CDCDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000236825903 521600677 /nfs/dbraw/zinc/60/06/77/521600677.db2.gz JDOUISNGRJPNMV-HNNXBMFYSA-N 0 3 275.396 1.802 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000228094677 524432217 /nfs/dbraw/zinc/43/22/17/524432217.db2.gz PQGPFXGZAAQNJY-FZMZJTMJSA-N 0 3 251.326 1.330 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccccc1[O-] ZINC000278878954 525404005 /nfs/dbraw/zinc/40/40/05/525404005.db2.gz SIVNUPWJHPUDTH-MJVIPROJSA-N 0 3 251.326 1.583 20 10 CDCDHN C[C@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395132 525608288 /nfs/dbraw/zinc/60/82/88/525608288.db2.gz QMBKARQQPGIJMK-FZMZJTMJSA-N 0 3 261.369 1.682 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000769541639 575358156 /nfs/dbraw/zinc/35/81/56/575358156.db2.gz FBEQQDXINLGANC-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000769541639 575358160 /nfs/dbraw/zinc/35/81/60/575358160.db2.gz FBEQQDXINLGANC-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([O-])cs1 ZINC000734552671 575358076 /nfs/dbraw/zinc/35/80/76/575358076.db2.gz JOKNQNACHVYKSM-JTQLQIEISA-N 0 3 268.382 1.868 20 10 CDCDHN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([O-])cs1 ZINC000734552671 575358077 /nfs/dbraw/zinc/35/80/77/575358077.db2.gz JOKNQNACHVYKSM-JTQLQIEISA-N 0 3 268.382 1.868 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c([O-])c1 ZINC000770383448 575443818 /nfs/dbraw/zinc/44/38/18/575443818.db2.gz VLBWQODCJMEJTG-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)[C@H](CC)C2)c([O-])c1 ZINC000770383448 575443820 /nfs/dbraw/zinc/44/38/20/575443820.db2.gz VLBWQODCJMEJTG-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000765797234 576056843 /nfs/dbraw/zinc/05/68/43/576056843.db2.gz QXHOGQAVJAMONY-OCCSQVGLSA-N 0 3 293.386 1.896 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000768519559 576292476 /nfs/dbraw/zinc/29/24/76/576292476.db2.gz QXBRVPPHGBBUSX-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000768519559 576292479 /nfs/dbraw/zinc/29/24/79/576292479.db2.gz QXBRVPPHGBBUSX-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1C1CC1 ZINC000753926758 576866227 /nfs/dbraw/zinc/86/62/27/576866227.db2.gz UFYZFBXUSOKODL-DGCLKSJQSA-N 0 3 289.379 1.817 20 10 CDCDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000757926751 577061506 /nfs/dbraw/zinc/06/15/06/577061506.db2.gz NTKYYQDJKZYJQZ-AWEZNQCLSA-N 0 3 285.315 1.589 20 10 CDCDHN COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c([O-])c1OC ZINC000892178756 617531555 /nfs/dbraw/zinc/53/15/55/617531555.db2.gz CZHWKWXCLBNONX-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c([O-])c1OC ZINC000892178756 617531557 /nfs/dbraw/zinc/53/15/57/617531557.db2.gz CZHWKWXCLBNONX-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN CCN(CC)C(=O)CNCc1ccc(OC)c(OC)c1O ZINC000892721383 617654741 /nfs/dbraw/zinc/65/47/41/617654741.db2.gz MDUHHUOHHRTBDY-UHFFFAOYSA-N 0 3 296.367 1.367 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+]Cc1c([O-])cccc1OC ZINC000840973533 617921141 /nfs/dbraw/zinc/92/11/41/617921141.db2.gz OLUPLAOXIAWDAP-UHFFFAOYSA-N 0 3 287.381 1.315 20 10 CDCDHN COc1ccc(CNCc2cnc3n2CCOC3)c(O)c1 ZINC000894184746 618672205 /nfs/dbraw/zinc/67/22/05/618672205.db2.gz FMFFHJWKCJNLMK-UHFFFAOYSA-N 0 3 289.335 1.417 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc3n2CCOC3)c([O-])c1 ZINC000894184746 618672207 /nfs/dbraw/zinc/67/22/07/618672207.db2.gz FMFFHJWKCJNLMK-UHFFFAOYSA-N 0 3 289.335 1.417 20 10 CDCDHN COc1cc(C)cc(CN2CCSC[C@H]2CO)c1O ZINC000895471672 619689937 /nfs/dbraw/zinc/68/99/37/619689937.db2.gz ZSZUOOULHYBALZ-GFCCVEGCSA-N 0 3 283.393 1.619 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000896962014 620325843 /nfs/dbraw/zinc/32/58/43/620325843.db2.gz HSVRBXHSIHCDOD-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000896962014 620325846 /nfs/dbraw/zinc/32/58/46/620325846.db2.gz HSVRBXHSIHCDOD-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@@H](CN)CC(C)C)ccc1[N+](=O)[O-] ZINC000841037606 621312404 /nfs/dbraw/zinc/31/24/04/621312404.db2.gz BCPIWOJEGNIRFC-LLVKDONJSA-N 0 3 297.355 1.772 20 10 CDCDHN COC[C@](C)(CO)NCc1ccc2c(c1)CCCO2 ZINC000921818501 633319108 /nfs/dbraw/zinc/31/91/08/633319108.db2.gz ORYSVIRTIQTFLC-HNNXBMFYSA-N 0 3 265.353 1.499 20 10 CDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841078458 679467060 /nfs/dbraw/zinc/46/70/60/679467060.db2.gz HXGWXZHQMIWVQC-QWRGUYRKSA-N 0 3 258.724 1.835 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@H](CN)C2CC2)ccc1[N+](=O)[O-] ZINC000841028030 677764626 /nfs/dbraw/zinc/76/46/26/677764626.db2.gz JRQRXFISXPYJMZ-SNVBAGLBSA-N 0 3 281.312 1.136 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835075362 677801308 /nfs/dbraw/zinc/80/13/08/677801308.db2.gz WYPBBWJKZIGYIW-JSGCOSHPSA-N 0 3 290.363 1.644 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCC(=O)NC1=O ZINC000799125970 677925565 /nfs/dbraw/zinc/92/55/65/677925565.db2.gz VZZTYRVAZNTZRX-GFCCVEGCSA-N 0 3 276.336 1.409 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC(=O)NC1=O ZINC000799125970 677925567 /nfs/dbraw/zinc/92/55/67/677925567.db2.gz VZZTYRVAZNTZRX-GFCCVEGCSA-N 0 3 276.336 1.409 20 10 CDCDHN CCN(CC)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000134492817 677941861 /nfs/dbraw/zinc/94/18/61/677941861.db2.gz YXHCWPUQGKEKFY-UHFFFAOYSA-N 0 3 280.324 1.079 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793253370 677960224 /nfs/dbraw/zinc/96/02/24/677960224.db2.gz ALXXJAVJFZPQER-LLVKDONJSA-N 0 3 263.337 1.869 20 10 CDCDHN O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000126870454 678186507 /nfs/dbraw/zinc/18/65/07/678186507.db2.gz HTTJJJZRMRTITE-LLVKDONJSA-N 0 3 255.339 1.059 20 10 CDCDHN COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840103988 679666932 /nfs/dbraw/zinc/66/69/32/679666932.db2.gz JBGBAZJXCSLYTJ-GOEBONIOSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840103988 679666934 /nfs/dbraw/zinc/66/69/34/679666934.db2.gz JBGBAZJXCSLYTJ-GOEBONIOSA-N 0 3 293.363 1.676 20 10 CDCDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(O)c1O ZINC000126355352 679685086 /nfs/dbraw/zinc/68/50/86/679685086.db2.gz CJQAPTMHQFCQAH-SECBINFHSA-N 0 3 262.309 1.064 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@H](C)C2)c1[O-] ZINC000842473401 679696871 /nfs/dbraw/zinc/69/68/71/679696871.db2.gz DBQCYEZIKOOCOF-SECBINFHSA-N 0 3 266.316 1.528 20 10 CDCDHN C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000886734997 677718180 /nfs/dbraw/zinc/71/81/80/677718180.db2.gz UWVMKKSNIIBLNH-NSHDSACASA-N 0 3 298.408 1.467 20 10 CDCDHN C[C@H]1CN(CC[N@H+](C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000851840402 678009318 /nfs/dbraw/zinc/00/93/18/678009318.db2.gz FWYHVWUYZWIVFR-KBPBESRZSA-N 0 3 278.396 1.933 20 10 CDCDHN C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000851840402 678009322 /nfs/dbraw/zinc/00/93/22/678009322.db2.gz FWYHVWUYZWIVFR-KBPBESRZSA-N 0 3 278.396 1.933 20 10 CDCDHN O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000808427607 678048346 /nfs/dbraw/zinc/04/83/46/678048346.db2.gz YHOASCSWQVEVMA-NSHDSACASA-N 0 3 269.366 1.307 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)c([O-])c1 ZINC000824887365 678094543 /nfs/dbraw/zinc/09/45/43/678094543.db2.gz VDROGZVMNZFZSF-GFCCVEGCSA-N 0 3 278.352 1.501 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000796936123 678182214 /nfs/dbraw/zinc/18/22/14/678182214.db2.gz DSRVMCVTWIXOSM-HIFRSBDPSA-N 0 3 282.359 1.639 20 10 CDCDHN CCN1C[C@H](C[NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000846209715 678275977 /nfs/dbraw/zinc/27/59/77/678275977.db2.gz SMKXFTCBTJBBKZ-NEPJUHHUSA-N 0 3 262.353 1.911 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228941311 678440128 /nfs/dbraw/zinc/44/01/28/678440128.db2.gz MOGNEMWDCYKFMB-WDEREUQCSA-N 0 3 250.342 1.956 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[NH3+])c1[O-] ZINC000843352315 678470136 /nfs/dbraw/zinc/47/01/36/678470136.db2.gz HYXNTJZJDLPMDO-GFCCVEGCSA-N 0 3 266.316 1.657 20 10 CDCDHN COc1ccc(O)c(CN2CCSC[C@@H]2CO)c1 ZINC000877779587 678706962 /nfs/dbraw/zinc/70/69/62/678706962.db2.gz CPUALTLTEHPQHR-NSHDSACASA-N 0 3 269.366 1.311 20 10 CDCDHN CN(CC(=O)NCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000821070886 678730261 /nfs/dbraw/zinc/73/02/61/678730261.db2.gz PRJRKECTFBPCRT-UHFFFAOYSA-N 0 3 280.368 1.692 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970131 678899309 /nfs/dbraw/zinc/89/93/09/678899309.db2.gz MFTOTLTXEMLUPW-IUCAKERBSA-N 0 3 252.314 1.177 20 10 CDCDHN Cc1cccc(O)c1CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000876581445 679026943 /nfs/dbraw/zinc/02/69/43/679026943.db2.gz JUGKKZXNUQCSJA-LBPRGKRZSA-N 0 3 298.408 1.214 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783524606 679127019 /nfs/dbraw/zinc/12/70/19/679127019.db2.gz HZXSMKDXOCBJSL-UHTWSYAYSA-N 0 3 262.353 1.958 20 10 CDCDHN COc1cc(CN[C@H](C)C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825716257 679187504 /nfs/dbraw/zinc/18/75/04/679187504.db2.gz QXCMASREHSAHFN-SECBINFHSA-N 0 3 280.368 1.662 20 10 CDCDHN COc1cccc(CNCc2cnc3cnccn23)c1O ZINC000809740348 679215005 /nfs/dbraw/zinc/21/50/05/679215005.db2.gz UWMXAXQBIUXRBM-UHFFFAOYSA-N 0 3 284.319 1.733 20 10 CDCDHN COc1ccc(N(C)CCN(C)C[C@@H]2COCCO2)cc1 ZINC000844402765 679420119 /nfs/dbraw/zinc/42/01/19/679420119.db2.gz VPEHLPDHBPIHSM-MRXNPFEDSA-N 0 3 294.395 1.479 20 10 CDCDHN COC1(CO)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000775204981 679604310 /nfs/dbraw/zinc/60/43/10/679604310.db2.gz UWXVWUHTCYFGDC-UHFFFAOYSA-N 0 3 295.335 1.094 20 10 CDCDHN COc1ccc(N(C)CCN(C)C[C@H]2COCCO2)cc1 ZINC000844402763 679631382 /nfs/dbraw/zinc/63/13/82/679631382.db2.gz VPEHLPDHBPIHSM-INIZCTEOSA-N 0 3 294.395 1.479 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)[C@H]1C ZINC000787421509 679632368 /nfs/dbraw/zinc/63/23/68/679632368.db2.gz STHJNGAUVINHGA-QWRGUYRKSA-N 0 3 279.336 1.784 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)[C@H]1C ZINC000787421509 679632369 /nfs/dbraw/zinc/63/23/69/679632369.db2.gz STHJNGAUVINHGA-QWRGUYRKSA-N 0 3 279.336 1.784 20 10 CDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(C)ccc1O ZINC000088658258 1158734887 /nfs/dbraw/zinc/73/48/87/1158734887.db2.gz UHGPNDPZZWLPJF-ZDUSSCGKSA-N 0 3 278.352 1.038 20 10 CDCDHN Cc1ccc(O)c(C[NH2+]Cc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605875889 1163702005 /nfs/dbraw/zinc/70/20/05/1163702005.db2.gz SXWRSIZPBCSGSK-UHFFFAOYSA-N 0 3 296.334 1.566 20 10 CDCDHN CCN1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1=O ZINC001172037388 911163882 /nfs/dbraw/zinc/16/38/82/911163882.db2.gz XBILRJFSMVFAFQ-NSHDSACASA-N 0 3 264.325 1.198 20 10 CDCDHN O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccccc3[O-])CCN12 ZINC001172146663 911357968 /nfs/dbraw/zinc/35/79/68/911357968.db2.gz MNUAXMICKGGYTQ-OLZOCXBDSA-N 0 3 260.337 1.635 20 10 CDCDHN Cc1cc(CN2CCOC[C@@](C)(O)C2)ccc1N(C)C ZINC001139669760 936326696 /nfs/dbraw/zinc/32/66/96/936326696.db2.gz MGBPZOMLWNLOOU-INIZCTEOSA-N 0 3 278.396 1.644 20 10 CDCDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2c([O-])cccc2Cl)C1 ZINC001206422193 916370891 /nfs/dbraw/zinc/37/08/91/916370891.db2.gz CPIZFODHJOMAKD-RKDXNWHRSA-N 0 3 258.724 1.917 20 10 CDCDHN COc1cc(CN2CCC(=O)C2)cc(CN(C)C)c1O ZINC001139256765 936611745 /nfs/dbraw/zinc/61/17/45/936611745.db2.gz JWYCLCBTXZLBOE-UHFFFAOYSA-N 0 3 278.352 1.237 20 10 CDCDHN Cc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001140950661 936783232 /nfs/dbraw/zinc/78/32/32/936783232.db2.gz BCENPYWERTXALO-UHFFFAOYSA-N 0 3 250.342 1.611 20 10 CDCDHN Cc1ccc(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001140950661 936783234 /nfs/dbraw/zinc/78/32/34/936783234.db2.gz BCENPYWERTXALO-UHFFFAOYSA-N 0 3 250.342 1.611 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c([O-])c1 ZINC001140954027 936783816 /nfs/dbraw/zinc/78/38/16/936783816.db2.gz JMKKLNZERPQFLM-UHFFFAOYSA-N 0 3 291.395 1.936 20 10 CDCDHN Oc1ccc(O)c(CN2CCN(C3CCC3)CC2)c1 ZINC001141156674 936821663 /nfs/dbraw/zinc/82/16/63/936821663.db2.gz QFKOBXBANLCZSW-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN Cc1n[nH]c(=O)c(C[NH2+]Cc2ccccc2[O-])c1C ZINC001116566141 937456805 /nfs/dbraw/zinc/45/68/05/937456805.db2.gz QOSZSASBRWBPEQ-UHFFFAOYSA-N 0 3 259.309 1.794 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1 ZINC001120269338 937790414 /nfs/dbraw/zinc/79/04/14/937790414.db2.gz QEERJKOBGSJKPD-CHWSQXEVSA-N 0 3 263.385 1.156 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203621689 939697307 /nfs/dbraw/zinc/69/73/07/939697307.db2.gz YXJLEFFSXKQOGJ-LLVKDONJSA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203621689 939697308 /nfs/dbraw/zinc/69/73/08/939697308.db2.gz YXJLEFFSXKQOGJ-LLVKDONJSA-N 0 3 265.309 1.396 20 10 CDCDHN C[C@H]1CCCN(Cc2ccc(O)c(O)c2)[C@H]1CO ZINC001203874630 939710341 /nfs/dbraw/zinc/71/03/41/939710341.db2.gz AUZOIVLAQSKIAR-JQWIXIFHSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@]1(O)COCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324575 939755583 /nfs/dbraw/zinc/75/55/83/939755583.db2.gz NGAZLBFOLUJGBJ-KRWDZBQOSA-N 0 3 290.407 1.870 20 10 CDCDHN COc1cc(CN2CCC[C@H](CO)CC2)cc(O)c1O ZINC001204344085 939758604 /nfs/dbraw/zinc/75/86/04/939758604.db2.gz UZIOJAYISAPJRZ-NSHDSACASA-N 0 3 281.352 1.701 20 10 CDCDHN CN(c1ccnc(N)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001206550316 940059009 /nfs/dbraw/zinc/05/90/09/940059009.db2.gz AKVQERFKEWPQMH-UHFFFAOYSA-N 0 3 292.364 1.212 20 10 CDCDHN O=c1cc2[nH]cnc(O[C@H]3CNCCC3(F)F)c-2cc1O ZINC001218453144 941219840 /nfs/dbraw/zinc/21/98/40/941219840.db2.gz SCZFXPOCVFWTCE-NSHDSACASA-N 0 3 297.261 1.417 20 10 CDCDHN O=C(N1CC=CC1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277447013 942588066 /nfs/dbraw/zinc/58/80/66/942588066.db2.gz YMXKRDLDKRVDIR-UHFFFAOYSA-N 0 3 284.359 1.803 20 10 CDCDHN COc1cc(CN2CCc3nccn3CC2)c(O)cc1O ZINC001231636897 942951998 /nfs/dbraw/zinc/95/19/98/942951998.db2.gz AVGDZBYGVBHMFV-UHFFFAOYSA-N 0 3 289.335 1.361 20 10 CDCDHN COc1cc(CN2CCC[C@]3(CCO3)C2)c(O)cc1O ZINC001231637377 942953386 /nfs/dbraw/zinc/95/33/86/942953386.db2.gz LLHHPLBMADKJOW-HNNXBMFYSA-N 0 3 279.336 1.861 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c([O-])c1 ZINC001277569506 943022408 /nfs/dbraw/zinc/02/24/08/943022408.db2.gz ZRXAPWCQCPCGPV-ZDUSSCGKSA-N 0 3 274.364 1.788 20 10 CDCDHN Cc1cc(C)c(CN2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)c1 ZINC001231843817 943026555 /nfs/dbraw/zinc/02/65/55/943026555.db2.gz GVTKXYWOPSOJTP-FRFSOERESA-N 0 3 291.391 1.981 20 10 CDCDHN [O-]c1cc(Cl)ccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234985622 943995442 /nfs/dbraw/zinc/99/54/42/943995442.db2.gz CVJRSEZGFQNNJO-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN COc1cc(O)c(CN2CC(N(C)C)C2)cc1OC ZINC001236751137 944558796 /nfs/dbraw/zinc/55/87/96/944558796.db2.gz PYKNFSWONGAAEP-UHFFFAOYSA-N 0 3 266.341 1.155 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H]3C[C@H]2CN3C)cc1OC ZINC001236757981 944559349 /nfs/dbraw/zinc/55/93/49/944559349.db2.gz VKHRAHSLAURPSD-RYUDHWBXSA-N 0 3 278.352 1.298 20 10 CDCDHN CCc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC001236782849 944566742 /nfs/dbraw/zinc/56/67/42/944566742.db2.gz FRUVCUGASQPMHI-GASCZTMLSA-N 0 3 265.353 1.800 20 10 CDCDHN CCc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC001236782849 944566746 /nfs/dbraw/zinc/56/67/46/944566746.db2.gz FRUVCUGASQPMHI-GASCZTMLSA-N 0 3 265.353 1.800 20 10 CDCDHN O=S1(=O)CCN(c2ccc(CN3CCCC3)cc2)CC1 ZINC001237203764 944692944 /nfs/dbraw/zinc/69/29/44/944692944.db2.gz WCSKJDVKQVPEBX-UHFFFAOYSA-N 0 3 294.420 1.517 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254840626 947619026 /nfs/dbraw/zinc/61/90/26/947619026.db2.gz KXUNJVDHMSXNGM-CYBMUJFWSA-N 0 3 262.353 1.672 20 10 CDCDHN Cn1c(=O)cccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245429531 947668665 /nfs/dbraw/zinc/66/86/65/947668665.db2.gz XSJWCOCIJNPART-CQSZACIVSA-N 0 3 274.364 1.653 20 10 CDCDHN CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258480203 948874666 /nfs/dbraw/zinc/87/46/66/948874666.db2.gz VQLTZRUVIQIYEU-JTQLQIEISA-N 0 3 267.325 1.919 20 10 CDCDHN CN1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989365 956145052 /nfs/dbraw/zinc/14/50/52/956145052.db2.gz OKVXOGLRRHXQCU-BRLPQQTGSA-N 0 3 290.363 1.567 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001308585393 956552451 /nfs/dbraw/zinc/55/24/51/956552451.db2.gz YXRSECWDSJQMMR-NSHDSACASA-N 0 3 280.368 1.523 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001308585393 956552469 /nfs/dbraw/zinc/55/24/69/956552469.db2.gz YXRSECWDSJQMMR-NSHDSACASA-N 0 3 280.368 1.523 20 10 CDCDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N)cc1 ZINC001345159136 964610223 /nfs/dbraw/zinc/61/02/23/964610223.db2.gz CDTJLHVWWARZEL-ZDUSSCGKSA-N 0 3 280.393 1.749 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293547327 362363330 /nfs/dbraw/zinc/36/33/30/362363330.db2.gz DOLZJKPHIJIXOW-CQSZACIVSA-N 0 3 251.326 1.915 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1[O-] ZINC000036794092 356884200 /nfs/dbraw/zinc/88/42/00/356884200.db2.gz MDGRUVQHHVTTLA-CMPLNLGQSA-N 0 3 250.342 1.910 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000180057329 357239598 /nfs/dbraw/zinc/23/95/98/357239598.db2.gz YJFPRDIEZBEDNU-UHFFFAOYSA-N 0 3 263.337 1.977 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000180134442 357245475 /nfs/dbraw/zinc/24/54/75/357245475.db2.gz FGQPKFBWNBXCDK-CYBMUJFWSA-N 0 3 269.316 1.505 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000180134442 357245480 /nfs/dbraw/zinc/24/54/80/357245480.db2.gz FGQPKFBWNBXCDK-CYBMUJFWSA-N 0 3 269.316 1.505 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180145327 357246240 /nfs/dbraw/zinc/24/62/40/357246240.db2.gz PVGIVOHBLKLMMO-SNVBAGLBSA-N 0 3 266.316 1.489 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180145327 357246241 /nfs/dbraw/zinc/24/62/41/357246241.db2.gz PVGIVOHBLKLMMO-SNVBAGLBSA-N 0 3 266.316 1.489 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1OC ZINC000187985104 357831148 /nfs/dbraw/zinc/83/11/48/357831148.db2.gz PWOBOMTUGHFZMW-PWSUYJOCSA-N 0 3 281.352 1.660 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](C)OC)cc1OC ZINC000191204481 358119387 /nfs/dbraw/zinc/11/93/87/358119387.db2.gz JQDINXVVJFQYKR-SECBINFHSA-N 0 3 255.314 1.534 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000294775168 199177901 /nfs/dbraw/zinc/17/79/01/199177901.db2.gz GHTSTOSKCVPJOS-LBPRGKRZSA-N 0 3 294.395 1.508 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000091986603 358534257 /nfs/dbraw/zinc/53/42/57/358534257.db2.gz DOMKLDNAZRUVPZ-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000091986603 358534259 /nfs/dbraw/zinc/53/42/59/358534259.db2.gz DOMKLDNAZRUVPZ-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC(C)(C)CO)cc1OC ZINC000294936245 199258989 /nfs/dbraw/zinc/25/89/89/199258989.db2.gz ZUDFUDALPQCHFN-UHFFFAOYSA-N 0 3 283.368 1.908 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1(O)CCOCC1)CC2 ZINC000297421175 200184483 /nfs/dbraw/zinc/18/44/83/200184483.db2.gz UROJTGKQFYKWGQ-CYBMUJFWSA-N 0 3 277.364 1.901 20 10 CDCDHN COc1cccc(CNC[C@](C)(O)C(F)(F)F)c1O ZINC000270566160 364656493 /nfs/dbraw/zinc/65/64/93/364656493.db2.gz RVIXBLZJIWGERK-NSHDSACASA-N 0 3 279.258 1.804 20 10 CDCDHN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168869353 365008721 /nfs/dbraw/zinc/00/87/21/365008721.db2.gz AXZXMKAQIQBIGX-KSRUKNBBSA-N 0 3 259.346 1.949 20 10 CDCDHN CN1CCN(CCC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226619143 367372884 /nfs/dbraw/zinc/37/28/84/367372884.db2.gz SDXIXJCUFYAOFS-UHFFFAOYSA-N 0 3 281.375 1.258 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000375556605 370862447 /nfs/dbraw/zinc/86/24/47/370862447.db2.gz HSIFLLICEXESHG-OAHLLOKOSA-N 0 3 276.336 1.775 20 10 CDCDHN COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1F ZINC000289292265 369539910 /nfs/dbraw/zinc/53/99/10/369539910.db2.gz BGMWGKTUOAFWKA-CYBMUJFWSA-N 0 3 282.359 1.726 20 10 CDCDHN COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)c(OC)c1 ZINC000289332650 369545556 /nfs/dbraw/zinc/54/55/56/369545556.db2.gz HWLHWQLOJIRSEL-ZDUSSCGKSA-N 0 3 294.395 1.595 20 10 CDCDHN Cc1cc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1C ZINC000369701181 369856378 /nfs/dbraw/zinc/85/63/78/369856378.db2.gz DEAGHSFJCLWMJM-OCCSQVGLSA-N 0 3 290.363 1.939 20 10 CDCDHN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000294209474 370995164 /nfs/dbraw/zinc/99/51/64/370995164.db2.gz QMNWECLUBCDMBC-MRXNPFEDSA-N 0 3 290.363 1.656 20 10 CDCDHN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000294209474 370995171 /nfs/dbraw/zinc/99/51/71/370995171.db2.gz QMNWECLUBCDMBC-MRXNPFEDSA-N 0 3 290.363 1.656 20 10 CDCDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801750 390388359 /nfs/dbraw/zinc/38/83/59/390388359.db2.gz RSIGQQIYGCUPFT-WMLDXEAASA-N 0 3 290.455 1.649 20 10 CDCDHN COc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000122712930 390905875 /nfs/dbraw/zinc/90/58/75/390905875.db2.gz KJJXGYCBZUXVBC-LBPRGKRZSA-N 0 3 278.352 1.453 20 10 CDCDHN Cc1cc(O)c(CN(C)[C@@H]2CCN(C)C2=O)cc1C ZINC000265726717 391161857 /nfs/dbraw/zinc/16/18/57/391161857.db2.gz PAARXCZMLXNBOS-CYBMUJFWSA-N 0 3 262.353 1.672 20 10 CDCDHN COCCCOCCN(C)Cc1cc(OC)ccc1O ZINC000181523065 391224572 /nfs/dbraw/zinc/22/45/72/391224572.db2.gz SQYLRFAWAGWONA-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000179569355 391212088 /nfs/dbraw/zinc/21/20/88/391212088.db2.gz HSXXMFGHBBZUNV-OAHLLOKOSA-N 0 3 290.407 1.936 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000179569355 391212092 /nfs/dbraw/zinc/21/20/92/391212092.db2.gz HSXXMFGHBBZUNV-OAHLLOKOSA-N 0 3 290.407 1.936 20 10 CDCDHN COc1ccc(O)c(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000183399656 391263564 /nfs/dbraw/zinc/26/35/64/391263564.db2.gz MZNIWLKLVLVFCO-CQSZACIVSA-N 0 3 280.368 1.163 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280893292 292165949 /nfs/dbraw/zinc/16/59/49/292165949.db2.gz PGKXLPRXMPMOJI-IHRRRGAJSA-N 0 3 279.380 1.996 20 10 CDCDHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+]CCOCCO ZINC000020198978 171062714 /nfs/dbraw/zinc/06/27/14/171062714.db2.gz GLOOUJWMGSDPGS-NEPJUHHUSA-N 0 3 265.353 1.847 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000186089441 262078829 /nfs/dbraw/zinc/07/88/29/262078829.db2.gz VKHHEXYKRRDSKY-KOLCDFICSA-N 0 3 278.327 1.945 20 10 CDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000291614274 279118328 /nfs/dbraw/zinc/11/83/28/279118328.db2.gz RGHPUWZHSVKNDN-IUODEOHRSA-N 0 3 294.370 1.826 20 10 CDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000291614274 279118331 /nfs/dbraw/zinc/11/83/31/279118331.db2.gz RGHPUWZHSVKNDN-IUODEOHRSA-N 0 3 294.370 1.826 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000185364111 327838786 /nfs/dbraw/zinc/83/87/86/327838786.db2.gz RNCZTBBHTJNPRB-HUUCEWRRSA-N 0 3 291.439 1.987 20 10 CDCDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870744 328075157 /nfs/dbraw/zinc/07/51/57/328075157.db2.gz UIZHOOZHMLLITG-WCQYABFASA-N 0 3 261.369 1.634 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278855470 327198549 /nfs/dbraw/zinc/19/85/49/327198549.db2.gz QRKQBANJTJYEED-SLEUVZQESA-N 0 3 265.353 1.891 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000378367017 329047792 /nfs/dbraw/zinc/04/77/92/329047792.db2.gz CPWGCAPQLVRUGA-UHFFFAOYSA-N 0 3 284.363 1.895 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000378367017 329047793 /nfs/dbraw/zinc/04/77/93/329047793.db2.gz CPWGCAPQLVRUGA-UHFFFAOYSA-N 0 3 284.363 1.895 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1)OCO2 ZINC000230316772 333316572 /nfs/dbraw/zinc/31/65/72/333316572.db2.gz ZOIPNOODOACLRN-ABAIWWIYSA-N 0 3 277.320 1.778 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134131312 334081745 /nfs/dbraw/zinc/08/17/45/334081745.db2.gz NNYZVZQIGHUYIT-AWEZNQCLSA-N 0 3 262.353 1.299 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134131312 334081746 /nfs/dbraw/zinc/08/17/46/334081746.db2.gz NNYZVZQIGHUYIT-AWEZNQCLSA-N 0 3 262.353 1.299 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1[O-] ZINC000252762920 334390934 /nfs/dbraw/zinc/39/09/34/334390934.db2.gz ZIMBLQLNGZYLDE-LSDHHAIUSA-N 0 3 276.380 1.653 20 10 CDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236768462 519817339 /nfs/dbraw/zinc/81/73/39/519817339.db2.gz RSRFFAMNJPOMNL-HNNXBMFYSA-N 0 3 291.395 1.123 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1OC ZINC000274992692 520430619 /nfs/dbraw/zinc/43/06/19/520430619.db2.gz ZFZFKYCWQINEGY-LNSITVRQSA-N 0 3 281.352 1.683 20 10 CDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236970470 520719597 /nfs/dbraw/zinc/71/95/97/520719597.db2.gz QEKUPIBUGZMWTL-OAHLLOKOSA-N 0 3 291.395 1.267 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278460974 520895648 /nfs/dbraw/zinc/89/56/48/520895648.db2.gz ZVUCBPKWHATXGY-GJZGRUSLSA-N 0 3 264.369 1.070 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000278552717 521653348 /nfs/dbraw/zinc/65/33/48/521653348.db2.gz VXEJSTYYCFCSEF-BZUNDVKYSA-N 0 3 265.353 1.973 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](CO)C2)cc1F ZINC000127219931 522180203 /nfs/dbraw/zinc/18/02/03/522180203.db2.gz HQSKXIHJWGNCDY-LBPRGKRZSA-N 0 3 252.333 1.706 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000228094661 524433878 /nfs/dbraw/zinc/43/38/78/524433878.db2.gz PQGPFXGZAAQNJY-RISCZKNCSA-N 0 3 251.326 1.330 20 10 CDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000263732608 524501070 /nfs/dbraw/zinc/50/10/70/524501070.db2.gz QBGRBMNOZPSEFF-CYBMUJFWSA-N 0 3 275.396 1.711 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCCN2CCN(C)CC2)c1 ZINC000289519555 525339665 /nfs/dbraw/zinc/33/96/65/525339665.db2.gz VIVRKBGVCHWBKA-UHFFFAOYSA-N 0 3 291.439 1.770 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)CCCN2CCN(C)CC2)c1 ZINC000289519555 525339670 /nfs/dbraw/zinc/33/96/70/525339670.db2.gz VIVRKBGVCHWBKA-UHFFFAOYSA-N 0 3 291.439 1.770 20 10 CDCDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1[O-] ZINC000278458387 525421793 /nfs/dbraw/zinc/42/17/93/525421793.db2.gz MHYSHAKMXIYCHV-CYBMUJFWSA-N 0 3 276.380 1.908 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000280516917 525957951 /nfs/dbraw/zinc/95/79/51/525957951.db2.gz QQKXQKXAMCPUPY-LBPRGKRZSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000280516917 525957963 /nfs/dbraw/zinc/95/79/63/525957963.db2.gz QQKXQKXAMCPUPY-LBPRGKRZSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(CN2CCN(CC)CC2)c(O)c1 ZINC000768139612 575123360 /nfs/dbraw/zinc/12/33/60/575123360.db2.gz TUPXZZJCKUXIAL-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000773889582 575843163 /nfs/dbraw/zinc/84/31/63/575843163.db2.gz YCJQCIYCVUTSJR-GOEBONIOSA-N 0 3 260.381 1.957 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000765795585 576056610 /nfs/dbraw/zinc/05/66/10/576056610.db2.gz KDDNUAQWJJCMHJ-GHMZBOCLSA-N 0 3 292.335 1.125 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CNC(C)=O)CC1 ZINC000769058214 576325679 /nfs/dbraw/zinc/32/56/79/576325679.db2.gz AOLIHYXTAXCGTK-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000769307792 576344228 /nfs/dbraw/zinc/34/42/28/576344228.db2.gz JCEPNZRYFNAZKM-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000769307792 576344229 /nfs/dbraw/zinc/34/42/29/576344229.db2.gz JCEPNZRYFNAZKM-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000757663533 577049522 /nfs/dbraw/zinc/04/95/22/577049522.db2.gz CBVROKSKVSKPSN-RISCZKNCSA-N 0 3 289.379 1.674 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(N)=O)nc1 ZINC000840937449 617612425 /nfs/dbraw/zinc/61/24/25/617612425.db2.gz JYHSXNUEQBTRTG-UHFFFAOYSA-N 0 3 298.390 1.845 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000877693632 618701332 /nfs/dbraw/zinc/70/13/32/618701332.db2.gz MKNNOIYURWYVOO-WRWORJQWSA-N 0 3 279.258 1.802 20 10 CDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000843298295 618701803 /nfs/dbraw/zinc/70/18/03/618701803.db2.gz LXQWZDBWGMRCHE-ZDUSSCGKSA-N 0 3 291.395 1.484 20 10 CDCDHN C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000862792919 684199923 /nfs/dbraw/zinc/19/99/23/684199923.db2.gz FWFJMBXSYZTXLL-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000862792919 684199925 /nfs/dbraw/zinc/19/99/25/684199925.db2.gz FWFJMBXSYZTXLL-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN COCCN1CCN(Cc2c(C)cccc2O)CC1 ZINC000876555898 679768452 /nfs/dbraw/zinc/76/84/52/679768452.db2.gz FGSGLKLMJZYWBF-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817971492 679780628 /nfs/dbraw/zinc/78/06/28/679780628.db2.gz DOTVBHHCMJAQMB-RKDXNWHRSA-N 0 3 252.314 1.177 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229904 679786283 /nfs/dbraw/zinc/78/62/83/679786283.db2.gz XNRJZFOBIMKMAK-VXGBXAGGSA-N 0 3 281.352 1.420 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817410852 679787697 /nfs/dbraw/zinc/78/76/97/679787697.db2.gz IQIMQJIXRAAUAK-UHFFFAOYSA-N 0 3 298.770 1.799 20 10 CDCDHN CCNS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000222006857 679839616 /nfs/dbraw/zinc/83/96/16/679839616.db2.gz HNDSTMRLLVMUKV-LBPRGKRZSA-N 0 3 299.440 1.343 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)OCCO ZINC000808437245 679865120 /nfs/dbraw/zinc/86/51/20/679865120.db2.gz DFBAGSZTLQZPHJ-UHFFFAOYSA-N 0 3 269.341 1.278 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000783729487 682014432 /nfs/dbraw/zinc/01/44/32/682014432.db2.gz NDZUSLPRMSRMTQ-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000783729487 682014438 /nfs/dbraw/zinc/01/44/38/682014438.db2.gz NDZUSLPRMSRMTQ-AWEZNQCLSA-N 0 3 265.353 1.994 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1F ZINC000884205472 681844644 /nfs/dbraw/zinc/84/46/44/681844644.db2.gz XTQNHHVLZYHGEV-CYBMUJFWSA-N 0 3 279.359 1.635 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCNC1=O)c1cc(F)ccc1[O-] ZINC000886744645 681872872 /nfs/dbraw/zinc/87/28/72/681872872.db2.gz COCJRMJNNOQFBN-SECBINFHSA-N 0 3 267.304 1.207 20 10 CDCDHN CC(C)C[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823766 681983813 /nfs/dbraw/zinc/98/38/13/681983813.db2.gz KPYTUCQDPMCVGC-GFCCVEGCSA-N 0 3 250.342 1.724 20 10 CDCDHN Cc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c([O-])c1 ZINC000877613800 682091843 /nfs/dbraw/zinc/09/18/43/682091843.db2.gz CEVCFVJVYOZFNE-HNNXBMFYSA-N 0 3 265.353 1.722 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c([O-])c1 ZINC000886294752 682180071 /nfs/dbraw/zinc/18/00/71/682180071.db2.gz ODKBDIRIQZLANE-GXFFZTMASA-N 0 3 299.392 1.314 20 10 CDCDHN CCCNCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817963302 682356821 /nfs/dbraw/zinc/35/68/21/682356821.db2.gz TWQYNHVPMLSLMF-SNVBAGLBSA-N 0 3 267.329 1.951 20 10 CDCDHN Cc1cc(CN2CCN(C)C[C@H]2CO)ccc1N(C)C ZINC000879000712 682648250 /nfs/dbraw/zinc/64/82/50/682648250.db2.gz IAORAIUDFJZDIY-HNNXBMFYSA-N 0 3 277.412 1.169 20 10 CDCDHN C[C@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266757 682734429 /nfs/dbraw/zinc/73/44/29/682734429.db2.gz BJCUXMSMLAKBHU-JSGCOSHPSA-N 0 3 294.370 1.617 20 10 CDCDHN C[C@@H]1[C@H](NCc2ccc(N(C)C)cc2)CCS1(=O)=O ZINC000389099820 682762385 /nfs/dbraw/zinc/76/23/85/682762385.db2.gz IKLLQPSOSWPNBK-BXUZGUMPSA-N 0 3 282.409 1.418 20 10 CDCDHN COc1cc(C(=O)N[C@H]2CCN(C(C)C)C2)cc(OC)n1 ZINC001015104230 682809629 /nfs/dbraw/zinc/80/96/29/682809629.db2.gz REKWMLRGSFSEKW-LBPRGKRZSA-N 0 3 293.367 1.311 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CNCCO1 ZINC000829764177 682823235 /nfs/dbraw/zinc/82/32/35/682823235.db2.gz HFYNZFWANGZWCJ-HNNXBMFYSA-N 0 3 291.395 1.056 20 10 CDCDHN Oc1ccccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000778994410 683049853 /nfs/dbraw/zinc/04/98/53/683049853.db2.gz CRXYTIGJPAPDNP-HNNXBMFYSA-N 0 3 276.380 1.689 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000886745231 683221494 /nfs/dbraw/zinc/22/14/94/683221494.db2.gz RKEXEXHEVXRKAO-KOLCDFICSA-N 0 3 293.342 1.694 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922101063 683799087 /nfs/dbraw/zinc/79/90/87/683799087.db2.gz STTAQZNFPQZCFN-IAQYHMDHSA-N 0 3 274.364 1.626 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876617249 683819278 /nfs/dbraw/zinc/81/92/78/683819278.db2.gz IGDZRQZYQACRKB-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876617249 683819279 /nfs/dbraw/zinc/81/92/79/683819279.db2.gz IGDZRQZYQACRKB-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883090043 683884623 /nfs/dbraw/zinc/88/46/23/683884623.db2.gz AUQFGMRGEUIQMN-UFFNRZRYSA-N 0 3 251.326 1.818 20 10 CDCDHN COc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c(O)c1 ZINC000794391072 684018079 /nfs/dbraw/zinc/01/80/79/684018079.db2.gz UDGQBFWWLXPFDH-VXGBXAGGSA-N 0 3 292.379 1.890 20 10 CDCDHN COc1ccc(O)c(CNCc2cnc(N(C)C)n2C)c1 ZINC000840898756 684098690 /nfs/dbraw/zinc/09/86/90/684098690.db2.gz RKPRDHVFPYMTKQ-UHFFFAOYSA-N 0 3 290.367 1.490 20 10 CDCDHN CC1=CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797822207 684103513 /nfs/dbraw/zinc/10/35/13/684103513.db2.gz MABSZLFSNKKREW-CQSZACIVSA-N 0 3 261.321 1.970 20 10 CDCDHN CC1=CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797822207 684103514 /nfs/dbraw/zinc/10/35/14/684103514.db2.gz MABSZLFSNKKREW-CQSZACIVSA-N 0 3 261.321 1.970 20 10 CDCDHN CCN(CC)CC(=O)N(C)Cc1ccccc1O ZINC000063767174 684141041 /nfs/dbraw/zinc/14/10/41/684141041.db2.gz IMRQAQTZRKVAFR-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN NC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000843489931 684163852 /nfs/dbraw/zinc/16/38/52/684163852.db2.gz NTMTVDVSPGYVHV-UHFFFAOYSA-N 0 3 260.337 1.379 20 10 CDCDHN C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000886667940 684223864 /nfs/dbraw/zinc/22/38/64/684223864.db2.gz KXZMAUIBFZZNQN-XQQFMLRXSA-N 0 3 265.353 1.973 20 10 CDCDHN Cc1cc([O-])c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC001579638503 1172231081 /nfs/dbraw/zinc/23/10/81/1172231081.db2.gz ZTVMHHSFQFLUMJ-IINYFYTJSA-N 0 3 284.787 1.902 20 10 CDCDHN CCN1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000391492845 1187277038 /nfs/dbraw/zinc/27/70/38/1187277038.db2.gz QHCIZFWDDKAHAZ-OAHLLOKOSA-N 0 3 287.407 1.997 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(Cl)c1 ZINC001235995607 914514098 /nfs/dbraw/zinc/51/40/98/914514098.db2.gz VKGAVGHBMSSVBK-OTYXRUKQSA-N 0 3 282.771 1.977 20 10 CDCDHN COc1cccc(CNCc2cnc(C)n2C)c1O ZINC000689210488 907279490 /nfs/dbraw/zinc/27/94/90/907279490.db2.gz DLPVTUYRJVFSGU-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001238064079 917787468 /nfs/dbraw/zinc/78/74/68/917787468.db2.gz NWCYHHPSZAEASZ-YPMHNXCESA-N 0 3 269.316 1.015 20 10 CDCDHN CC(C)(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CO ZINC001140057777 936674972 /nfs/dbraw/zinc/67/49/72/936674972.db2.gz MCJHJEOIZQXOGB-GFCCVEGCSA-N 0 3 271.332 1.485 20 10 CDCDHN CC(C)(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CO ZINC001140057777 936674974 /nfs/dbraw/zinc/67/49/74/936674974.db2.gz MCJHJEOIZQXOGB-GFCCVEGCSA-N 0 3 271.332 1.485 20 10 CDCDHN Cc1ccc(C)c(CN2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1O ZINC001140181226 936684862 /nfs/dbraw/zinc/68/48/62/936684862.db2.gz QSPTZJOYRBIZHQ-CWRNSKLLSA-N 0 3 291.391 1.981 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410719 928027424 /nfs/dbraw/zinc/02/74/24/928027424.db2.gz PAZAGBLAPALHMJ-UKRRQHHQSA-N 0 3 293.363 1.935 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410719 928027437 /nfs/dbraw/zinc/02/74/37/928027437.db2.gz PAZAGBLAPALHMJ-UKRRQHHQSA-N 0 3 293.363 1.935 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274099435 931169356 /nfs/dbraw/zinc/16/93/56/931169356.db2.gz HVARILRLSMWLML-INIZCTEOSA-N 0 3 292.354 1.894 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274099435 931169359 /nfs/dbraw/zinc/16/93/59/931169359.db2.gz HVARILRLSMWLML-INIZCTEOSA-N 0 3 292.354 1.894 20 10 CDCDHN C[NH+](C)CCCCCNC(=O)c1cccc(O)c1[O-] ZINC001148220003 932672058 /nfs/dbraw/zinc/67/20/58/932672058.db2.gz KESWJFDDMZVBRC-UHFFFAOYSA-N 0 3 266.341 1.560 20 10 CDCDHN CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c([O-])cccc1F ZINC001276354371 935042331 /nfs/dbraw/zinc/04/23/31/935042331.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 0 3 250.317 1.810 20 10 CDCDHN CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c([O-])cccc1F ZINC001276354371 935042337 /nfs/dbraw/zinc/04/23/37/935042337.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 0 3 250.317 1.810 20 10 CDCDHN C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001276354371 935042343 /nfs/dbraw/zinc/04/23/43/935042343.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 0 3 250.317 1.810 20 10 CDCDHN C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001276354371 935042351 /nfs/dbraw/zinc/04/23/51/935042351.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 0 3 250.317 1.810 20 10 CDCDHN COc1cccc(CN2CCC3(CC(=O)CO3)CC2)c1O ZINC001203589993 939694965 /nfs/dbraw/zinc/69/49/65/939694965.db2.gz PWPIHKGNPACVQI-UHFFFAOYSA-N 0 3 291.347 1.725 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001203620633 939696551 /nfs/dbraw/zinc/69/65/51/939696551.db2.gz GQXGNBIEGLIFJV-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001203620633 939696552 /nfs/dbraw/zinc/69/65/52/939696552.db2.gz GQXGNBIEGLIFJV-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+](CCCO)C(C)C)c([O-])c1 ZINC001203627572 939697954 /nfs/dbraw/zinc/69/79/54/939697954.db2.gz JKHWRAOYZHBWSQ-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN COc1ccc(C[N@@H+](CCCO)C(C)C)c([O-])c1 ZINC001203627572 939697955 /nfs/dbraw/zinc/69/79/55/939697955.db2.gz JKHWRAOYZHBWSQ-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CN1C(=O)CC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203883735 939712063 /nfs/dbraw/zinc/71/20/63/939712063.db2.gz MWBRHPMEMZCIOB-OLZOCXBDSA-N 0 3 290.363 1.541 20 10 CDCDHN Oc1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001204276059 939750040 /nfs/dbraw/zinc/75/00/40/939750040.db2.gz FFFVIDUAPAKIAS-PWSUYJOCSA-N 0 3 271.263 1.564 20 10 CDCDHN O[C@H]1COCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323160 939755751 /nfs/dbraw/zinc/75/57/51/939755751.db2.gz FKHQXNALJSETMF-MRXNPFEDSA-N 0 3 276.380 1.480 20 10 CDCDHN COc1cc(CN2CCC[C@@](C)(O)CC2)cc(O)c1O ZINC001204344633 939758637 /nfs/dbraw/zinc/75/86/37/939758637.db2.gz WJOQMLGNQOROLT-OAHLLOKOSA-N 0 3 281.352 1.843 20 10 CDCDHN [O-]c1cccc2c1C[N@H+](CCN1CCOCC1)CC2 ZINC001209293075 940456131 /nfs/dbraw/zinc/45/61/31/940456131.db2.gz DJPASXGQEOGZOS-UHFFFAOYSA-N 0 3 262.353 1.083 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+](CCN1CCOCC1)CC2 ZINC001209293075 940456133 /nfs/dbraw/zinc/45/61/33/940456133.db2.gz DJPASXGQEOGZOS-UHFFFAOYSA-N 0 3 262.353 1.083 20 10 CDCDHN [O-]c1ccc(F)c(F)c1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222100058 941566420 /nfs/dbraw/zinc/56/64/20/941566420.db2.gz SMSTUIBFFDMUCC-UHFFFAOYSA-N 0 3 297.349 1.198 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](O)[C@H](C)C1 ZINC001231849430 943028882 /nfs/dbraw/zinc/02/88/82/943028882.db2.gz SONNNBYAQQXPEZ-DOMZBBRYSA-N 0 3 278.396 1.964 20 10 CDCDHN Oc1cc(O)c(CN2CCC[C@]3(CCO3)C2)cc1O ZINC001233485687 943593836 /nfs/dbraw/zinc/59/38/36/943593836.db2.gz HAYOQJVGZOFYHA-AWEZNQCLSA-N 0 3 265.309 1.558 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)C[C@H](C)N1C ZINC001233486096 943594388 /nfs/dbraw/zinc/59/43/88/943594388.db2.gz YJKYEFRACOZMBY-AOOOYVTPSA-N 0 3 266.341 1.328 20 10 CDCDHN CCN1CCN(c2ccc(O[C@@H]3COC[C@H]3F)cc2)CC1 ZINC001234657139 943930457 /nfs/dbraw/zinc/93/04/57/943930457.db2.gz BFIYERTUMXOZTO-HZPDHXFCSA-N 0 3 294.370 1.944 20 10 CDCDHN CCc1ccc(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001236793503 944570516 /nfs/dbraw/zinc/57/05/16/944570516.db2.gz XETWOTHYBDCTMJ-UHFFFAOYSA-N 0 3 264.369 1.865 20 10 CDCDHN CCc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001236793503 944570522 /nfs/dbraw/zinc/57/05/22/944570522.db2.gz XETWOTHYBDCTMJ-UHFFFAOYSA-N 0 3 264.369 1.865 20 10 CDCDHN CCOc1ccc(CN(C)CC(OC)OC)c(O)c1 ZINC001237042062 944644146 /nfs/dbraw/zinc/64/41/46/944644146.db2.gz FMCICMPGIYQZRY-UHFFFAOYSA-N 0 3 269.341 1.842 20 10 CDCDHN CCCN(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201762 944690893 /nfs/dbraw/zinc/69/08/93/944690893.db2.gz BHGDUIRGOKMXBX-UHFFFAOYSA-N 0 3 296.436 1.763 20 10 CDCDHN COc1cc(CN2CC[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237669879 944918233 /nfs/dbraw/zinc/91/82/33/944918233.db2.gz PMVQFYCQYWGOTO-LLVKDONJSA-N 0 3 267.325 1.630 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](F)[C@H](O)C2)c1O ZINC001238057173 945042605 /nfs/dbraw/zinc/04/26/05/945042605.db2.gz JDGGNEUNNLFSLS-VXGBXAGGSA-N 0 3 257.280 1.744 20 10 CDCDHN CC[C@]1(C(=O)OC)C[C@@H](NCc2ccc(N)cc2)CN1 ZINC001246168021 948003755 /nfs/dbraw/zinc/00/37/55/948003755.db2.gz CKSDEZZVPVSEEI-UKRRQHHQSA-N 0 3 277.368 1.042 20 10 CDCDHN COC[C@H](C)N1CCCc2cc(O)c(O)cc2C1 ZINC001255577601 948005794 /nfs/dbraw/zinc/00/57/94/948005794.db2.gz AGUQWTISWNEWGI-JTQLQIEISA-N 0 3 251.326 1.881 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001257043633 948495197 /nfs/dbraw/zinc/49/51/97/948495197.db2.gz XSQIVPZUDQZQSI-ZYHUDNBSSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C)(O)CC2)c([O-])c1 ZINC001249171464 949437036 /nfs/dbraw/zinc/43/70/36/949437036.db2.gz BXXFDZOLTAMBHZ-UHFFFAOYSA-N 0 3 293.363 1.455 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC001308945765 956603395 /nfs/dbraw/zinc/60/33/95/956603395.db2.gz GFWOOQCEDVCEPP-RISCZKNCSA-N 0 3 264.369 1.891 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)NCC(C)C ZINC001331382889 957009933 /nfs/dbraw/zinc/00/99/33/957009933.db2.gz VFMGKRARFXXMSX-UHFFFAOYSA-N 0 3 277.412 1.923 20 10 CDCDHN Oc1cccc(NC(=S)NCCN2CCCCC2)c1O ZINC001200430505 968186407 /nfs/dbraw/zinc/18/64/07/968186407.db2.gz RYYYTOXXAGGXJX-UHFFFAOYSA-N 0 3 295.408 1.870 20 10 CDCDHN C[NH2+][C@@H](C)CCN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663241 994631637 /nfs/dbraw/zinc/63/16/37/994631637.db2.gz CNVREPLMSIMESN-UWVGGRQHSA-N 0 3 266.341 1.739 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000179637440 357217642 /nfs/dbraw/zinc/21/76/42/357217642.db2.gz YWWVCKBMVLNCJZ-CYBMUJFWSA-N 0 3 278.352 1.453 20 10 CDCDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180744156 357286410 /nfs/dbraw/zinc/28/64/10/357286410.db2.gz OGFZDIDLVJVSQH-STMXVASLSA-N 0 3 290.363 1.664 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1OC ZINC000191178608 358118514 /nfs/dbraw/zinc/11/85/14/358118514.db2.gz KLYNGLIYOHDSOK-CMPLNLGQSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1OC ZINC000191178608 358118516 /nfs/dbraw/zinc/11/85/16/358118516.db2.gz KLYNGLIYOHDSOK-CMPLNLGQSA-N 0 3 281.352 1.612 20 10 CDCDHN C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1[O-] ZINC000091619352 358520226 /nfs/dbraw/zinc/52/02/26/358520226.db2.gz LRBACASTEUWWHF-ZDUSSCGKSA-N 0 3 264.369 1.545 20 10 CDCDHN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000091619352 358520229 /nfs/dbraw/zinc/52/02/29/358520229.db2.gz LRBACASTEUWWHF-ZDUSSCGKSA-N 0 3 264.369 1.545 20 10 CDCDHN Cc1ccc(O)c(CN(C)CCNC(=O)C(C)C)c1 ZINC000092104294 358538807 /nfs/dbraw/zinc/53/88/07/358538807.db2.gz RFPPFOZZCMTXAE-UHFFFAOYSA-N 0 3 264.369 1.905 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)CC2 ZINC000297470275 200202665 /nfs/dbraw/zinc/20/26/65/200202665.db2.gz YOAWKDMTSVSXOI-FRRDWIJNSA-N 0 3 263.337 1.509 20 10 CDCDHN COc1cccc(C[NH2+][C@H](CCO)C(C)C)c1[O-] ZINC000230690056 360342571 /nfs/dbraw/zinc/34/25/71/360342571.db2.gz SAHGYRNIJDIZKL-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1[O-] ZINC000282421699 364097401 /nfs/dbraw/zinc/09/74/01/364097401.db2.gz SRTNNNUDQYIAOH-BTDLBPIBSA-N 0 3 253.367 1.954 20 10 CDCDHN COc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000282434962 364102833 /nfs/dbraw/zinc/10/28/33/364102833.db2.gz ROPOVUVQBMOLRK-SFHVURJKSA-N 0 3 269.366 1.402 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000269892505 364371651 /nfs/dbraw/zinc/37/16/51/364371651.db2.gz CQYRFCGLUQMLLN-NVXWUHKLSA-N 0 3 287.359 1.966 20 10 CDCDHN C[C@@](O)(CNCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000270556716 364652637 /nfs/dbraw/zinc/65/26/37/364652637.db2.gz OHXGZDVCQDJBRZ-LLVKDONJSA-N 0 3 293.241 1.524 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1O ZINC000271238506 364978249 /nfs/dbraw/zinc/97/82/49/364978249.db2.gz BQEXJORRLDADAF-JOYOIKCWSA-N 0 3 265.309 1.324 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1O ZINC000271238506 364978253 /nfs/dbraw/zinc/97/82/53/364978253.db2.gz BQEXJORRLDADAF-JOYOIKCWSA-N 0 3 265.309 1.324 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(CO)CC2)c1 ZINC000271777776 364998164 /nfs/dbraw/zinc/99/81/64/364998164.db2.gz GHFJHRJXIWIHGS-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)cc1OC ZINC000271773384 364997748 /nfs/dbraw/zinc/99/77/48/364997748.db2.gz CBZYZXGJJPIWPT-AWEZNQCLSA-N 0 3 299.392 1.367 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000183342822 365423433 /nfs/dbraw/zinc/42/34/33/365423433.db2.gz NTDHQTZFHUAMRP-CYBMUJFWSA-N 0 3 278.352 1.292 20 10 CDCDHN CN1CCN(CC[NH2+]Cc2cc(F)ccc2[O-])CC1(C)C ZINC000282485836 367908742 /nfs/dbraw/zinc/90/87/42/367908742.db2.gz XEOHUWNEHKDUED-UHFFFAOYSA-N 0 3 295.402 1.647 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000282489952 367910377 /nfs/dbraw/zinc/91/03/77/367910377.db2.gz HQLDOZVVKANRTR-MNOVXSKESA-N 0 3 268.332 1.825 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](C)CCOCCO)cc1C ZINC000282669165 367983695 /nfs/dbraw/zinc/98/36/95/367983695.db2.gz HNLIOVHEXJWLEQ-UHFFFAOYSA-N 0 3 253.342 1.450 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](C)CCOCCO)cc1C ZINC000282669165 367983698 /nfs/dbraw/zinc/98/36/98/367983698.db2.gz HNLIOVHEXJWLEQ-UHFFFAOYSA-N 0 3 253.342 1.450 20 10 CDCDHN Cc1cccc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294677567 371082712 /nfs/dbraw/zinc/08/27/12/371082712.db2.gz AXLCUVAATSEJEC-ZDUSSCGKSA-N 0 3 278.352 1.973 20 10 CDCDHN CCCN[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000295022844 371118432 /nfs/dbraw/zinc/11/84/32/371118432.db2.gz CKRINUHHAIGAHH-GFCCVEGCSA-N 0 3 291.395 1.866 20 10 CDCDHN C[C@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000275048914 371199144 /nfs/dbraw/zinc/19/91/44/371199144.db2.gz ZOYGXAWSBUFYFB-JTQLQIEISA-N 0 3 285.338 1.785 20 10 CDCDHN C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226585480 371959669 /nfs/dbraw/zinc/95/96/69/371959669.db2.gz DFRUDMOBURLUTH-SNVBAGLBSA-N 0 3 266.316 1.632 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NC(C)(C)C ZINC000134230497 375619962 /nfs/dbraw/zinc/61/99/62/375619962.db2.gz INQNTVIBFMCWHM-SNVBAGLBSA-N 0 3 250.342 1.785 20 10 CDCDHN COC[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000234825384 285379493 /nfs/dbraw/zinc/37/94/93/285379493.db2.gz LMPBDKRPRPPPJI-AAEUAGOBSA-N 0 3 252.358 1.411 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1 ZINC000168734791 390937112 /nfs/dbraw/zinc/93/71/12/390937112.db2.gz MZHSYOSABAENQF-LLVKDONJSA-N 0 3 262.353 1.877 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000176755520 391157563 /nfs/dbraw/zinc/15/75/63/391157563.db2.gz RQRWDODAXHNALH-CQSZACIVSA-N 0 3 283.393 1.749 20 10 CDCDHN CC[NH+](CC)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177667379 391173825 /nfs/dbraw/zinc/17/38/25/391173825.db2.gz GOHHPPRUPNDZJK-UHFFFAOYSA-N 0 3 266.341 1.478 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000182197105 391231700 /nfs/dbraw/zinc/23/17/00/391231700.db2.gz FUWZVUQOPICMGS-UHFFFAOYSA-N 0 3 294.395 1.601 20 10 CDCDHN O=C1NCCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179580232 391212765 /nfs/dbraw/zinc/21/27/65/391212765.db2.gz MZWUDSYVDCZILE-UHFFFAOYSA-N 0 3 289.379 1.772 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000179580071 391213256 /nfs/dbraw/zinc/21/32/56/391213256.db2.gz DJDUVHJZLRUMMG-AWEZNQCLSA-N 0 3 276.380 1.546 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000179580071 391213257 /nfs/dbraw/zinc/21/32/57/391213257.db2.gz DJDUVHJZLRUMMG-AWEZNQCLSA-N 0 3 276.380 1.546 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183485230 391265559 /nfs/dbraw/zinc/26/55/59/391265559.db2.gz WQHAMXDVZWAACU-JQWIXIFHSA-N 0 3 272.352 1.958 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000183502159 391265810 /nfs/dbraw/zinc/26/58/10/391265810.db2.gz ZRRCKCFTMZFBOC-UONOGXRCSA-N 0 3 277.412 1.679 20 10 CDCDHN CCOc1ccc(O)c(CN(CCOC)CCOC)c1 ZINC000158229680 261161725 /nfs/dbraw/zinc/16/17/25/261161725.db2.gz XSBYJCZYYQRBSV-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCN(C)c1ccc([C@H](C)NCCOCCO)cc1 ZINC000159109078 261179033 /nfs/dbraw/zinc/17/90/33/261179033.db2.gz MJZVTOPVDMNINQ-ZDUSSCGKSA-N 0 3 266.385 1.802 20 10 CDCDHN COc1ccc(N2CCN(C[C@H](C)OC)CC2)cc1 ZINC000182013183 261919701 /nfs/dbraw/zinc/91/97/01/261919701.db2.gz DQCUNHYSUDTARK-ZDUSSCGKSA-N 0 3 264.369 1.852 20 10 CDCDHN C[C@H](NCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000185226583 262046736 /nfs/dbraw/zinc/04/67/36/262046736.db2.gz UBLWSPUSPBCXCY-NSHDSACASA-N 0 3 297.420 1.966 20 10 CDCDHN C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)ccc1[O-] ZINC000186511547 262096580 /nfs/dbraw/zinc/09/65/80/262096580.db2.gz LSRRULVBWLPEGY-VIFPVBQESA-N 0 3 292.314 1.335 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c([O-])c1 ZINC000184921231 262300150 /nfs/dbraw/zinc/30/01/50/262300150.db2.gz OHHHHZNMPRMZOD-LLVKDONJSA-N 0 3 286.397 1.291 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)CN(C)C)c([O-])c1 ZINC000808422655 687098455 /nfs/dbraw/zinc/09/84/55/687098455.db2.gz AFOFJUFSWGUVRS-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1[O-] ZINC000036794091 288057398 /nfs/dbraw/zinc/05/73/98/288057398.db2.gz MDGRUVQHHVTTLA-JQWIXIFHSA-N 0 3 250.342 1.910 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290206271 328258414 /nfs/dbraw/zinc/25/84/14/328258414.db2.gz VIGJZUIBYMSUJD-GFCCVEGCSA-N 0 3 283.393 1.615 20 10 CDCDHN O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000378381685 329047988 /nfs/dbraw/zinc/04/79/88/329047988.db2.gz XDJTYSGWGZRIIK-ZDUSSCGKSA-N 0 3 275.352 1.382 20 10 CDCDHN O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000378381685 329047989 /nfs/dbraw/zinc/04/79/89/329047989.db2.gz XDJTYSGWGZRIIK-ZDUSSCGKSA-N 0 3 275.352 1.382 20 10 CDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCCC2)cc1 ZINC000135712511 334136905 /nfs/dbraw/zinc/13/69/05/334136905.db2.gz ASTXAFRMCOQHMO-GFCCVEGCSA-N 0 3 261.369 1.640 20 10 CDCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000273575688 334767260 /nfs/dbraw/zinc/76/72/60/334767260.db2.gz LTBFPRWHQJXCGX-LLVKDONJSA-N 0 3 282.359 1.639 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000226607471 687317729 /nfs/dbraw/zinc/31/77/29/687317729.db2.gz WZFNLTKYVWYAFW-GFCCVEGCSA-N 0 3 250.317 1.858 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1OC ZINC000274992689 520372531 /nfs/dbraw/zinc/37/25/31/520372531.db2.gz ZFZFKYCWQINEGY-KYOSRNDESA-N 0 3 281.352 1.683 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278750627 521150836 /nfs/dbraw/zinc/15/08/36/521150836.db2.gz WGEZSXWWKBRLRT-XHDPSFHLSA-N 0 3 281.352 1.420 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000228099387 521774388 /nfs/dbraw/zinc/77/43/88/521774388.db2.gz JSEGDQPVJBTMIB-CQSZACIVSA-N 0 3 266.316 1.489 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000228099387 521774397 /nfs/dbraw/zinc/77/43/97/521774397.db2.gz JSEGDQPVJBTMIB-CQSZACIVSA-N 0 3 266.316 1.489 20 10 CDCDHN CC[C@H]([NH2+]CCCOCCO)c1ccccc1[O-] ZINC000157923454 522584531 /nfs/dbraw/zinc/58/45/31/522584531.db2.gz SKRMGTGBGPNCIS-ZDUSSCGKSA-N 0 3 253.342 1.832 20 10 CDCDHN CC[C@@H](COC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000079735205 522594009 /nfs/dbraw/zinc/59/40/09/522594009.db2.gz GPQODUBJGBLGHC-JTQLQIEISA-N 0 3 253.298 1.636 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000279347686 522748627 /nfs/dbraw/zinc/74/86/27/522748627.db2.gz FXOYMJGXNCWNFZ-GXTWGEPZSA-N 0 3 269.316 1.815 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@]2(CCO)CCOC2)cc1OC ZINC000278703697 522781621 /nfs/dbraw/zinc/78/16/21/522781621.db2.gz NXHIGCAAFSWGPU-HNNXBMFYSA-N 0 3 297.351 1.041 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279511003 525337704 /nfs/dbraw/zinc/33/77/04/525337704.db2.gz XGUCRTMVUZFBTO-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279511003 525337714 /nfs/dbraw/zinc/33/77/14/525337714.db2.gz XGUCRTMVUZFBTO-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000094617774 525440534 /nfs/dbraw/zinc/44/05/34/525440534.db2.gz IHRNYISFHHXZJQ-SECBINFHSA-N 0 3 275.345 1.617 20 10 CDCDHN COc1cccc(C[NH2+]CCc2nccnc2C)c1[O-] ZINC000293188371 526015975 /nfs/dbraw/zinc/01/59/75/526015975.db2.gz WZHKSQOHFBWIEF-UHFFFAOYSA-N 0 3 273.336 1.832 20 10 CDCDHN COc1cccc(CNCc2cnc(N(C)C)nc2)c1O ZINC000289480244 526027040 /nfs/dbraw/zinc/02/70/40/526027040.db2.gz QIMNQALXBSSMBI-UHFFFAOYSA-N 0 3 288.351 1.547 20 10 CDCDHN CCN1CCN(CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000731869585 575066737 /nfs/dbraw/zinc/06/67/37/575066737.db2.gz MGFKLIUFNXOABE-UHFFFAOYSA-N 0 3 297.424 1.211 20 10 CDCDHN CC(C)[N@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000732269971 575085050 /nfs/dbraw/zinc/08/50/50/575085050.db2.gz NDLSPXCJDZSHFI-UHFFFAOYSA-N 0 3 256.371 1.914 20 10 CDCDHN CC(C)[N@@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000732269971 575085051 /nfs/dbraw/zinc/08/50/51/575085051.db2.gz NDLSPXCJDZSHFI-UHFFFAOYSA-N 0 3 256.371 1.914 20 10 CDCDHN COC[C@](C)(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000733326544 575114736 /nfs/dbraw/zinc/11/47/36/575114736.db2.gz JTRQKOLQUCWGJX-CQSZACIVSA-N 0 3 270.348 1.379 20 10 CDCDHN CCCN(C)CC(=O)NCc1cc(OC)ccc1O ZINC000734015285 575153531 /nfs/dbraw/zinc/15/35/31/575153531.db2.gz GKMBLUWLUUQILD-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COCC1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000774647468 575223688 /nfs/dbraw/zinc/22/36/88/575223688.db2.gz SCJVSPOWBVYGNW-HNNXBMFYSA-N 0 3 291.347 1.597 20 10 CDCDHN COCC1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000774647468 575223690 /nfs/dbraw/zinc/22/36/90/575223690.db2.gz SCJVSPOWBVYGNW-HNNXBMFYSA-N 0 3 291.347 1.597 20 10 CDCDHN COCCOC[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769508456 575353573 /nfs/dbraw/zinc/35/35/73/575353573.db2.gz QQWFGLYIOBTYRG-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769508456 575353575 /nfs/dbraw/zinc/35/35/75/575353575.db2.gz QQWFGLYIOBTYRG-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN CN(C)c1ccc(CN2CCC(OCCO)CC2)cc1 ZINC000769538154 575357924 /nfs/dbraw/zinc/35/79/24/575357924.db2.gz TYPZXKCQCHSERV-UHFFFAOYSA-N 0 3 278.396 1.726 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768446502 576283982 /nfs/dbraw/zinc/28/39/82/576283982.db2.gz KSYCRCDHKQUUSK-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768446502 576283985 /nfs/dbraw/zinc/28/39/85/576283985.db2.gz KSYCRCDHKQUUSK-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000768883032 576315742 /nfs/dbraw/zinc/31/57/42/576315742.db2.gz WXRPVFINYBZMFN-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768883032 576315743 /nfs/dbraw/zinc/31/57/43/576315743.db2.gz WXRPVFINYBZMFN-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN COc1cccc(O)c1CN1CCN(CC(C)(C)O)CC1 ZINC000769300985 576343762 /nfs/dbraw/zinc/34/37/62/576343762.db2.gz CRRIBZKUEJFNHH-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1F ZINC000748241585 576902760 /nfs/dbraw/zinc/90/27/60/576902760.db2.gz AKRNYPOXIBIGFD-ZDUSSCGKSA-N 0 3 279.359 1.602 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000756546938 576994605 /nfs/dbraw/zinc/99/46/05/576994605.db2.gz WARSBLHZHJCXGI-VXGBXAGGSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)c([O-])c1C ZINC000756662265 576999312 /nfs/dbraw/zinc/99/93/12/576999312.db2.gz ZNHIRPAPSPTUMK-KOLCDFICSA-N 0 3 250.342 1.924 20 10 CDCDHN C[NH2+]C[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843352295 617327258 /nfs/dbraw/zinc/32/72/58/617327258.db2.gz DCEJWBCFMIMNAW-ZDUSSCGKSA-N 0 3 280.343 1.918 20 10 CDCDHN COc1cc(C)cc(CN(CC(N)=O)C2CCCC2)c1O ZINC000893928713 618187079 /nfs/dbraw/zinc/18/70/79/618187079.db2.gz DXSSRFSMXVORJK-UHFFFAOYSA-N 0 3 292.379 1.939 20 10 CDCDHN COc1ccc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000042879543 626217972 /nfs/dbraw/zinc/21/79/72/626217972.db2.gz VERZQDUVTAZNOI-UHFFFAOYSA-N 0 3 288.303 1.814 20 10 CDCDHN N[C@H](CC1CC1)C(=O)NCCCSc1nccs1 ZINC000884138077 633022013 /nfs/dbraw/zinc/02/20/13/633022013.db2.gz CUPMVFWDVOWZPD-SNVBAGLBSA-N 0 3 285.438 1.869 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000793586194 685432708 /nfs/dbraw/zinc/43/27/08/685432708.db2.gz GQEATZZQLWNLOZ-QWHCGFSZSA-N 0 3 294.395 1.288 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCN1CCOCC1 ZINC000876886037 684396503 /nfs/dbraw/zinc/39/65/03/684396503.db2.gz QSQKLNCIBILUHC-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779207051 684443183 /nfs/dbraw/zinc/44/31/83/684443183.db2.gz KULSFNLPMCHTBF-UHFFFAOYSA-N 0 3 257.280 1.984 20 10 CDCDHN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000854649842 684536040 /nfs/dbraw/zinc/53/60/40/684536040.db2.gz HKWSWQCSWKZNKN-PSASIEDQSA-N 0 3 254.355 1.618 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000788532973 684554578 /nfs/dbraw/zinc/55/45/78/684554578.db2.gz BFWXJCPDVFSVGC-NHYWBVRUSA-N 0 3 281.352 1.420 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884204819 684615121 /nfs/dbraw/zinc/61/51/21/684615121.db2.gz FYEUDFDIUMYXEM-AWEZNQCLSA-N 0 3 291.395 1.049 20 10 CDCDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC000092454718 684644127 /nfs/dbraw/zinc/64/41/27/684644127.db2.gz CCQVXRKMTMCGHL-VIFPVBQESA-N 0 3 285.185 1.948 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877588613 684853556 /nfs/dbraw/zinc/85/35/56/684853556.db2.gz UNULZOCLBGGJSE-CYBMUJFWSA-N 0 3 262.353 1.611 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877588613 684853558 /nfs/dbraw/zinc/85/35/58/684853558.db2.gz UNULZOCLBGGJSE-CYBMUJFWSA-N 0 3 262.353 1.611 20 10 CDCDHN CCC[N@H+](CC[S@](C)=O)Cc1ccccc1[O-] ZINC000827938811 684934444 /nfs/dbraw/zinc/93/44/44/684934444.db2.gz SZWICXARWFZZMK-KRWDZBQOSA-N 0 3 255.383 1.983 20 10 CDCDHN CCC[N@@H+](CC[S@](C)=O)Cc1ccccc1[O-] ZINC000827938811 684934458 /nfs/dbraw/zinc/93/44/58/684934458.db2.gz SZWICXARWFZZMK-KRWDZBQOSA-N 0 3 255.383 1.983 20 10 CDCDHN CN1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCC1=O ZINC000862428985 684925740 /nfs/dbraw/zinc/92/57/40/684925740.db2.gz YZDXXZYRVQDXKD-LBPRGKRZSA-N 0 3 266.316 1.584 20 10 CDCDHN CN1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCC1=O ZINC000862428985 684925750 /nfs/dbraw/zinc/92/57/50/684925750.db2.gz YZDXXZYRVQDXKD-LBPRGKRZSA-N 0 3 266.316 1.584 20 10 CDCDHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@H]2CCCCN12 ZINC000835075012 684956484 /nfs/dbraw/zinc/95/64/84/684956484.db2.gz UJGYWFALLPANIB-OLZOCXBDSA-N 0 3 278.327 1.774 20 10 CDCDHN Cc1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877545822 684961883 /nfs/dbraw/zinc/96/18/83/684961883.db2.gz MIIDUZUBTMPEIK-CYBMUJFWSA-N 0 3 298.408 1.166 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000702652493 685163842 /nfs/dbraw/zinc/16/38/42/685163842.db2.gz LISNYEKQHCAJRX-IINYFYTJSA-N 0 3 268.332 1.249 20 10 CDCDHN C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000862792920 685166285 /nfs/dbraw/zinc/16/62/85/685166285.db2.gz FWFJMBXSYZTXLL-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN C[N@H+]1CCCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000862792920 685166298 /nfs/dbraw/zinc/16/62/98/685166298.db2.gz FWFJMBXSYZTXLL-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN CC[S@](=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310229417 685831138 /nfs/dbraw/zinc/83/11/38/685831138.db2.gz GSLJYKZUQKZJTN-DIFFPNOSSA-N 0 3 253.367 1.738 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H](C)OC ZINC000812304516 685844272 /nfs/dbraw/zinc/84/42/72/685844272.db2.gz XEOOXXDQBHSILJ-IINYFYTJSA-N 0 3 281.352 1.675 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H](C)OC ZINC000812304516 685844275 /nfs/dbraw/zinc/84/42/75/685844275.db2.gz XEOOXXDQBHSILJ-IINYFYTJSA-N 0 3 281.352 1.675 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702636414 685873851 /nfs/dbraw/zinc/87/38/51/685873851.db2.gz MLGNNQPIQRSVOU-DZGCQCFKSA-N 0 3 264.369 1.500 20 10 CDCDHN CC[NH+](CC)CCCNC(=O)c1cc([O-])cs1 ZINC000854178040 686314082 /nfs/dbraw/zinc/31/40/82/686314082.db2.gz HFOJAHPNIDOCSQ-UHFFFAOYSA-N 0 3 256.371 1.915 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000382576608 686359274 /nfs/dbraw/zinc/35/92/74/686359274.db2.gz UGCSOLDHPIGHFM-RISCZKNCSA-N 0 3 253.342 1.749 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922047093 686668827 /nfs/dbraw/zinc/66/88/27/686668827.db2.gz XZGLKCBRMNKKBV-LBPRGKRZSA-N 0 3 276.380 1.968 20 10 CDCDHN CS[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840112508 686736260 /nfs/dbraw/zinc/73/62/60/686736260.db2.gz DFGRXBSKPGWQLY-GWCFXTLKSA-N 0 3 281.377 1.755 20 10 CDCDHN CS[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840112508 686736267 /nfs/dbraw/zinc/73/62/67/686736267.db2.gz DFGRXBSKPGWQLY-GWCFXTLKSA-N 0 3 281.377 1.755 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCC(N)=O)c([O-])c1 ZINC000809713874 686854650 /nfs/dbraw/zinc/85/46/50/686854650.db2.gz OFETWMTZJMQTGJ-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCC(N)=O)c([O-])c1 ZINC000809713874 686854651 /nfs/dbraw/zinc/85/46/51/686854651.db2.gz OFETWMTZJMQTGJ-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000825067717 686911534 /nfs/dbraw/zinc/91/15/34/686911534.db2.gz DXFYJXMIGCCHLS-SECBINFHSA-N 0 3 252.314 1.015 20 10 CDCDHN COCC[NH2+]CCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965561 687045279 /nfs/dbraw/zinc/04/52/79/687045279.db2.gz XHRLQIDIIMOYIM-SECBINFHSA-N 0 3 274.311 1.557 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000817412257 687048530 /nfs/dbraw/zinc/04/85/30/687048530.db2.gz HFEYOKVLLIBFLP-HAQNSBGRSA-N 0 3 292.379 1.782 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000775645534 687087820 /nfs/dbraw/zinc/08/78/20/687087820.db2.gz AXOXXRXBESCECY-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN C/C=C\C[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883090040 687140332 /nfs/dbraw/zinc/14/03/32/687140332.db2.gz AUQFGMRGEUIQMN-BYCRGOAPSA-N 0 3 251.326 1.818 20 10 CDCDHN CC1CCN(CC(=O)NCCc2ccc(N)cc2)CC1 ZINC000832659302 687148378 /nfs/dbraw/zinc/14/83/78/687148378.db2.gz ZDTRAALVCYHXPK-UHFFFAOYSA-N 0 3 275.396 1.659 20 10 CDCDHN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000854734669 687193305 /nfs/dbraw/zinc/19/33/05/687193305.db2.gz AWGWUMLRHIUUIW-INIZCTEOSA-N 0 3 290.363 1.656 20 10 CDCDHN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000854734669 687193314 /nfs/dbraw/zinc/19/33/14/687193314.db2.gz AWGWUMLRHIUUIW-INIZCTEOSA-N 0 3 290.363 1.656 20 10 CDCDHN COc1ccc(O)c(CN(C)[C@@H](CO)COC(C)C)c1 ZINC000809768247 687378082 /nfs/dbraw/zinc/37/80/82/687378082.db2.gz GFIYZQGTURVMNY-ZDUSSCGKSA-N 0 3 283.368 1.619 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c([O-])c1 ZINC000824709550 687865108 /nfs/dbraw/zinc/86/51/08/687865108.db2.gz RBCRTOASPLKSHX-CJNGLKHVSA-N 0 3 295.379 1.932 20 10 CDCDHN CO[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC1 ZINC000389169747 687884234 /nfs/dbraw/zinc/88/42/34/687884234.db2.gz HUYGDZLWJXOFBT-DOMZBBRYSA-N 0 3 263.337 1.775 20 10 CDCDHN C[C@]1(NCc2c([O-])cccc2Br)CC[NH2+]C1 ZINC001576545384 1171452057 /nfs/dbraw/zinc/45/20/57/1171452057.db2.gz LDZKAXOSNILKRM-LBPRGKRZSA-N 0 3 285.185 1.996 20 10 CDCDHN CCN(C)C(=O)CNCc1ccc(N2CCCC2)cc1 ZINC000229522974 1178130367 /nfs/dbraw/zinc/13/03/67/1178130367.db2.gz WMJGRDURZUPVGL-UHFFFAOYSA-N 0 3 275.396 1.855 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769534 912832948 /nfs/dbraw/zinc/83/29/48/912832948.db2.gz NBGYLACBUMDKLX-KGLIPLIRSA-N 0 3 287.367 1.994 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769534 912832969 /nfs/dbraw/zinc/83/29/69/912832969.db2.gz NBGYLACBUMDKLX-KGLIPLIRSA-N 0 3 287.367 1.994 20 10 CDCDHN COC[C@@]1(C(=O)NCc2ccccc2O)CCCCN1 ZINC000692202070 900205818 /nfs/dbraw/zinc/20/58/18/900205818.db2.gz CWVUOVSGQDVIRL-OAHLLOKOSA-N 0 3 278.352 1.167 20 10 CDCDHN CN1CC2(C1)CCN(C(=O)c1ccc(O)c(O)c1)CC2 ZINC001270032652 904293776 /nfs/dbraw/zinc/29/37/76/904293776.db2.gz KIDUHZRWGRDHLX-UHFFFAOYSA-N 0 3 276.336 1.266 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000715736435 921197296 /nfs/dbraw/zinc/19/72/96/921197296.db2.gz ZUXJDGLFGYTHJY-LBPRGKRZSA-N 0 3 279.336 1.873 20 10 CDCDHN CCOc1ccc(CN2CCCN(C=O)CC2)c(O)c1 ZINC000827878064 936612040 /nfs/dbraw/zinc/61/20/40/936612040.db2.gz ZVXPQOYAKDHAOT-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715596735 919913807 /nfs/dbraw/zinc/91/38/07/919913807.db2.gz QBZVIDHZPNDWOQ-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN CN1CCN(c2ccc(CN3CCC34COC4)cc2)CC1 ZINC001139408875 936618188 /nfs/dbraw/zinc/61/81/88/936618188.db2.gz GJBJFXXQTCWEIW-UHFFFAOYSA-N 0 3 287.407 1.413 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139686364 936635946 /nfs/dbraw/zinc/63/59/46/936635946.db2.gz WDZWZFPXGUDDIR-AOOOYVTPSA-N 0 3 268.307 1.664 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139686364 936635947 /nfs/dbraw/zinc/63/59/47/936635947.db2.gz WDZWZFPXGUDDIR-AOOOYVTPSA-N 0 3 268.307 1.664 20 10 CDCDHN Cc1c(O)ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001140748854 936749470 /nfs/dbraw/zinc/74/94/70/936749470.db2.gz MJNKQBYKRCEOIP-TXEJJXNPSA-N 0 3 261.321 1.817 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CCCO1 ZINC001140954011 936783697 /nfs/dbraw/zinc/78/36/97/936783697.db2.gz IWGUPNYGWFMHJY-CQSZACIVSA-N 0 3 279.336 1.465 20 10 CDCDHN C[C@H]1COCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140891 936819000 /nfs/dbraw/zinc/81/90/00/936819000.db2.gz RCGJXUFYNIBBBG-CYBMUJFWSA-N 0 3 276.380 1.984 20 10 CDCDHN O=C1NCC2(CCN(Cc3cc(O)ccc3O)CC2)O1 ZINC001141161502 936823106 /nfs/dbraw/zinc/82/31/06/936823106.db2.gz SETMIZMCJLYWJZ-UHFFFAOYSA-N 0 3 278.308 1.172 20 10 CDCDHN COCCCCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141163140 936823827 /nfs/dbraw/zinc/82/38/27/936823827.db2.gz REQGZMJPNMJRBQ-UHFFFAOYSA-N 0 3 294.395 1.642 20 10 CDCDHN C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000692407165 937229642 /nfs/dbraw/zinc/22/96/42/937229642.db2.gz JQSAUNLZRWIFOK-LLVKDONJSA-N 0 3 286.397 1.324 20 10 CDCDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC001116505057 937452557 /nfs/dbraw/zinc/45/25/57/937452557.db2.gz BJXFQCFLHWSQCB-CYBMUJFWSA-N 0 3 292.379 1.979 20 10 CDCDHN CC1(C(N)=O)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275412 939749795 /nfs/dbraw/zinc/74/97/95/939749795.db2.gz QIQSMRIRVCGAIE-UHFFFAOYSA-N 0 3 264.325 1.185 20 10 CDCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(O)cc2O)C1 ZINC001204276557 939750771 /nfs/dbraw/zinc/75/07/71/939750771.db2.gz NBZFGYWRVIISSZ-GFCCVEGCSA-N 0 3 291.269 1.845 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277743 939750902 /nfs/dbraw/zinc/75/09/02/939750902.db2.gz KIEZTQONVKPOPT-GFCCVEGCSA-N 0 3 264.325 1.150 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277743 939750907 /nfs/dbraw/zinc/75/09/07/939750907.db2.gz KIEZTQONVKPOPT-GFCCVEGCSA-N 0 3 264.325 1.150 20 10 CDCDHN CCOC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278194 939751524 /nfs/dbraw/zinc/75/15/24/939751524.db2.gz XGOCPDCBINUDCU-UHFFFAOYSA-N 0 3 294.351 1.808 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204281437 939752357 /nfs/dbraw/zinc/75/23/57/939752357.db2.gz FEUIHFHSYJEBHI-RISCZKNCSA-N 0 3 290.363 1.541 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204281437 939752358 /nfs/dbraw/zinc/75/23/58/939752358.db2.gz FEUIHFHSYJEBHI-RISCZKNCSA-N 0 3 290.363 1.541 20 10 CDCDHN [NH3+][C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001205117817 939824570 /nfs/dbraw/zinc/82/45/70/939824570.db2.gz WEPQTIVVSHGBSS-SECBINFHSA-N 0 3 256.296 1.984 20 10 CDCDHN [NH3+][C@H]1CN(Cc2cc(F)ccc2[O-])CC(F)(F)C1 ZINC001206131821 939984401 /nfs/dbraw/zinc/98/44/01/939984401.db2.gz JZMWWVVKUIMESW-SNVBAGLBSA-N 0 3 260.259 1.700 20 10 CDCDHN COc1cc(O)c(CN2CC(N(C)C)C2)cc1Cl ZINC001232266367 943194354 /nfs/dbraw/zinc/19/43/54/943194354.db2.gz MCUXCYMCDRFUQC-UHFFFAOYSA-N 0 3 270.760 1.800 20 10 CDCDHN CN(CCc1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233012571 943462324 /nfs/dbraw/zinc/46/23/24/943462324.db2.gz KLLFMOFCDWIHCI-UHFFFAOYSA-N 0 3 274.320 1.873 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236806939 944573101 /nfs/dbraw/zinc/57/31/01/944573101.db2.gz CWGUNEBZRYXCFI-JKSUJKDBSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236806939 944573105 /nfs/dbraw/zinc/57/31/05/944573105.db2.gz CWGUNEBZRYXCFI-JKSUJKDBSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001236810076 944576950 /nfs/dbraw/zinc/57/69/50/944576950.db2.gz BLLYYCQYEBXMOS-UHFFFAOYSA-N 0 3 280.368 1.619 20 10 CDCDHN COc1cc(C)c(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001236810076 944576952 /nfs/dbraw/zinc/57/69/52/944576952.db2.gz BLLYYCQYEBXMOS-UHFFFAOYSA-N 0 3 280.368 1.619 20 10 CDCDHN O=C(CNCc1ccc(N2CCCC2)cc1)NCC(F)F ZINC000393682629 944585636 /nfs/dbraw/zinc/58/56/36/944585636.db2.gz LDVNPWZCSIHXEB-UHFFFAOYSA-N 0 3 297.349 1.758 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001249178414 949440906 /nfs/dbraw/zinc/44/09/06/949440906.db2.gz QXCYJEXKBGJBNV-UHFFFAOYSA-N 0 3 291.347 1.330 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001249178414 949440912 /nfs/dbraw/zinc/44/09/12/949440912.db2.gz QXCYJEXKBGJBNV-UHFFFAOYSA-N 0 3 291.347 1.330 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@]2(O)CCOC2)cc1F ZINC001351328670 966913583 /nfs/dbraw/zinc/91/35/83/966913583.db2.gz DTDAQXSNTRUWMJ-CQSZACIVSA-N 0 3 286.322 1.272 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1[O-] ZINC000271739584 362037810 /nfs/dbraw/zinc/03/78/10/362037810.db2.gz VCODNIFCXQEAGK-SNVBAGLBSA-N 0 3 272.295 1.814 20 10 CDCDHN COc1ccc(O)c(CNCc2cnn(C)c2C)c1 ZINC000162525131 362711009 /nfs/dbraw/zinc/71/10/09/362711009.db2.gz STJKNONJSDHBQF-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN CN1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000042879707 358983737 /nfs/dbraw/zinc/98/37/37/358983737.db2.gz PROVLFUUMRWYKK-UHFFFAOYSA-N 0 3 264.325 1.305 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000169096477 365026003 /nfs/dbraw/zinc/02/60/03/365026003.db2.gz NWAHGJXHOZKCBH-DCXZOGHSSA-N 0 3 291.800 1.911 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000272830980 365415221 /nfs/dbraw/zinc/41/52/21/365415221.db2.gz HWTBDOWGEPSCBE-OLZOCXBDSA-N 0 3 264.369 1.764 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(F)ccc1[O-] ZINC000273405889 365492239 /nfs/dbraw/zinc/49/22/39/365492239.db2.gz OJWPFFJYTBWPHU-YPMHNXCESA-N 0 3 282.359 1.639 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)NCCF)c1 ZINC000282652769 367976806 /nfs/dbraw/zinc/97/68/06/367976806.db2.gz LIPXEXVWPSCBQE-SNVBAGLBSA-N 0 3 284.331 1.355 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCOCCO)c1 ZINC000282731218 368011450 /nfs/dbraw/zinc/01/14/50/368011450.db2.gz MGQYYUVUXSFSDO-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293541717 378573627 /nfs/dbraw/zinc/57/36/27/378573627.db2.gz CVQXXUGAURGAKX-AWEZNQCLSA-N 0 3 288.351 1.313 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293541717 378573629 /nfs/dbraw/zinc/57/36/29/378573629.db2.gz CVQXXUGAURGAKX-AWEZNQCLSA-N 0 3 288.351 1.313 20 10 CDCDHN COCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000041378413 379371330 /nfs/dbraw/zinc/37/13/30/379371330.db2.gz PZNIKWCRHJLQDM-UHFFFAOYSA-N 0 3 264.369 1.854 20 10 CDCDHN CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185331368 262050613 /nfs/dbraw/zinc/05/06/13/262050613.db2.gz PUBXUVHXALTTNF-VIFPVBQESA-N 0 3 275.345 1.617 20 10 CDCDHN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121139844 390881142 /nfs/dbraw/zinc/88/11/42/390881142.db2.gz JIWSWQOTBZWNML-OAHLLOKOSA-N 0 3 297.395 1.627 20 10 CDCDHN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121139844 390881143 /nfs/dbraw/zinc/88/11/43/390881143.db2.gz JIWSWQOTBZWNML-OAHLLOKOSA-N 0 3 297.395 1.627 20 10 CDCDHN CN(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000133732885 390937563 /nfs/dbraw/zinc/93/75/63/390937563.db2.gz VKSRPJVETQIOEZ-UHFFFAOYSA-N 0 3 288.395 1.424 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373274939 391113852 /nfs/dbraw/zinc/11/38/52/391113852.db2.gz ONHPRCKYXDLUDC-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373274939 391113855 /nfs/dbraw/zinc/11/38/55/391113855.db2.gz ONHPRCKYXDLUDC-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183245331 391258279 /nfs/dbraw/zinc/25/82/79/391258279.db2.gz RXJYQMNLQGMWDE-VIFPVBQESA-N 0 3 252.289 1.229 20 10 CDCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183245331 391258282 /nfs/dbraw/zinc/25/82/82/391258282.db2.gz RXJYQMNLQGMWDE-VIFPVBQESA-N 0 3 252.289 1.229 20 10 CDCDHN Cc1cccc(CN2CCN(c3ncccn3)CC2)c1O ZINC000183470071 391265378 /nfs/dbraw/zinc/26/53/78/391265378.db2.gz ZVGHYLJULSJUMV-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000183490834 391265666 /nfs/dbraw/zinc/26/56/66/391265666.db2.gz COGIFMUKGFIWFR-ZDUSSCGKSA-N 0 3 291.395 1.207 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1[O-] ZINC000183543329 391266884 /nfs/dbraw/zinc/26/68/84/391266884.db2.gz ALIGPDPJCLREIP-MFKMUULPSA-N 0 3 253.367 1.911 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195006863 391374559 /nfs/dbraw/zinc/37/45/59/391374559.db2.gz BGWABKITWHHUSW-TVQRCGJNSA-N 0 3 264.325 1.015 20 10 CDCDHN Cc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O ZINC000124814346 391404191 /nfs/dbraw/zinc/40/41/91/391404191.db2.gz JTYBAWOEVHQWCD-SNVBAGLBSA-N 0 3 257.355 1.223 20 10 CDCDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1COC[C@H]1O ZINC000289544975 391615936 /nfs/dbraw/zinc/61/59/36/391615936.db2.gz IFBZZIQAJFQWDE-IAGOWNOFSA-N 0 3 290.407 1.868 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCn2cccn2)c1 ZINC000135753900 393309444 /nfs/dbraw/zinc/30/94/44/393309444.db2.gz XKTBRTDQWMOKLD-UHFFFAOYSA-N 0 3 261.325 1.777 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082638 174092159 /nfs/dbraw/zinc/09/21/59/174092159.db2.gz FHBGCKWSUQTKMO-GHMZBOCLSA-N 0 3 269.366 1.478 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933064 260053067 /nfs/dbraw/zinc/05/30/67/260053067.db2.gz PBIGFZKVTDMASS-CHWSQXEVSA-N 0 3 294.395 1.772 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1F ZINC000157123691 261140791 /nfs/dbraw/zinc/14/07/91/261140791.db2.gz DNWXSYXUHFZGIB-CYBMUJFWSA-N 0 3 293.386 1.979 20 10 CDCDHN Cc1ccc(O)c(CN2CCN3CCOC[C@@H]3C2)c1 ZINC000363883755 262001351 /nfs/dbraw/zinc/00/13/51/262001351.db2.gz DNKUCRZOFHICAE-AWEZNQCLSA-N 0 3 262.353 1.217 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186203170 262084475 /nfs/dbraw/zinc/08/44/75/262084475.db2.gz NHWORQDBNWOKHD-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN CC(C)NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000135719891 264606463 /nfs/dbraw/zinc/60/64/63/264606463.db2.gz HEVXUHLGHLOZGV-LLVKDONJSA-N 0 3 250.342 1.958 20 10 CDCDHN COc1cccc(C[NH2+]CC(C)(C)CCO)c1[O-] ZINC000231403552 329377607 /nfs/dbraw/zinc/37/76/07/329377607.db2.gz TUERXGRUQHLSOX-UHFFFAOYSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)N(C)C2CC2)c1 ZINC000224805516 333225918 /nfs/dbraw/zinc/22/59/18/333225918.db2.gz MBEFIDGKQHWUDE-LLVKDONJSA-N 0 3 264.369 1.973 20 10 CDCDHN CC(C)[C@H](CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000230688568 333320948 /nfs/dbraw/zinc/32/09/48/333320948.db2.gz PGLVDZPBWNMSEV-NSHDSACASA-N 0 3 267.325 1.618 20 10 CDCDHN CC(C)(CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000231399718 333324908 /nfs/dbraw/zinc/32/49/08/333324908.db2.gz BSTDTSIQJRFQKO-UHFFFAOYSA-N 0 3 267.325 1.619 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[O-] ZINC000252546041 334382537 /nfs/dbraw/zinc/38/25/37/334382537.db2.gz KBGZFIYNAOOLAH-MELADBBJSA-N 0 3 276.380 1.906 20 10 CDCDHN CN1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000380701212 1160677138 /nfs/dbraw/zinc/67/71/38/1160677138.db2.gz NUFNPHHBXCSIJS-CQSZACIVSA-N 0 3 273.380 1.607 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000157179676 520352156 /nfs/dbraw/zinc/35/21/56/520352156.db2.gz DVUPYOTVVBXMPM-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000157179676 520352160 /nfs/dbraw/zinc/35/21/60/520352160.db2.gz DVUPYOTVVBXMPM-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCN(CCOC)C2)c1 ZINC000264630503 521155978 /nfs/dbraw/zinc/15/59/78/521155978.db2.gz TZYWFVOTJJXCSB-AWEZNQCLSA-N 0 3 294.395 1.601 20 10 CDCDHN COC(=O)c1ccc(CNCc2cccc(OC)c2O)[nH]1 ZINC000289455321 522035285 /nfs/dbraw/zinc/03/52/85/522035285.db2.gz NRHJNHFTWZUSER-UHFFFAOYSA-N 0 3 290.319 1.805 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000280307218 522779807 /nfs/dbraw/zinc/77/98/07/522779807.db2.gz PIPTZEUXFBGCNL-HNNXBMFYSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000280307218 522779818 /nfs/dbraw/zinc/77/98/18/522779818.db2.gz PIPTZEUXFBGCNL-HNNXBMFYSA-N 0 3 294.351 1.107 20 10 CDCDHN CC[C@@H]([NH2+]CC[C@H](O)COC)c1ccccc1[O-] ZINC000156986614 522839953 /nfs/dbraw/zinc/83/99/53/522839953.db2.gz AYGOYPXRRFWQIT-WCQYABFASA-N 0 3 253.342 1.830 20 10 CDCDHN COCCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000061375874 523610765 /nfs/dbraw/zinc/61/07/65/523610765.db2.gz SREQXLWGCSNNMX-CYBMUJFWSA-N 0 3 266.385 1.929 20 10 CDCDHN COCCOCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290185549 524000655 /nfs/dbraw/zinc/00/06/55/524000655.db2.gz OBHYWOAXEOVARV-UHFFFAOYSA-N 0 3 257.305 1.626 20 10 CDCDHN COCCOCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290185549 524000662 /nfs/dbraw/zinc/00/06/62/524000662.db2.gz OBHYWOAXEOVARV-UHFFFAOYSA-N 0 3 257.305 1.626 20 10 CDCDHN C[C@H](CN1CCCC1=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880247 524325275 /nfs/dbraw/zinc/32/52/75/524325275.db2.gz KXBVKFSRXUFNGH-SNVBAGLBSA-N 0 3 292.335 1.221 20 10 CDCDHN COc1ccc(N2CCN(CCCCCO)CC2)cc1 ZINC000049873905 524424909 /nfs/dbraw/zinc/42/49/09/524424909.db2.gz USJZLCWNZVZNQO-UHFFFAOYSA-N 0 3 278.396 1.980 20 10 CDCDHN C[C@@H](CCCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000094941932 524463315 /nfs/dbraw/zinc/46/33/15/524463315.db2.gz UCHZATBTZBMSNF-VIFPVBQESA-N 0 3 253.298 1.372 20 10 CDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C)CC1 ZINC000274944511 524697109 /nfs/dbraw/zinc/69/71/09/524697109.db2.gz QJPKOQFKQLZLMQ-LLVKDONJSA-N 0 3 292.379 1.487 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1 ZINC000068800523 525727106 /nfs/dbraw/zinc/72/71/06/525727106.db2.gz KPPGIUKOZPLNFD-ZIAGYGMSSA-N 0 3 277.412 1.597 20 10 CDCDHN CN1CCC(NC(=S)NCc2ccccc2O)CC1 ZINC000748159294 574512771 /nfs/dbraw/zinc/51/27/71/574512771.db2.gz VOQQNYGWYIZZIE-UHFFFAOYSA-N 0 3 279.409 1.451 20 10 CDCDHN Cc1ccc([O-])c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000769537582 575357767 /nfs/dbraw/zinc/35/77/67/575357767.db2.gz MMXNUIRDPBCXGV-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CN(Cc1cccn1C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462685 576286949 /nfs/dbraw/zinc/28/69/49/576286949.db2.gz BJWITQHSICNRDN-HNNXBMFYSA-N 0 3 288.347 1.789 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000768519561 576292254 /nfs/dbraw/zinc/29/22/54/576292254.db2.gz QXBRVPPHGBBUSX-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000768519561 576292255 /nfs/dbraw/zinc/29/22/55/576292255.db2.gz QXBRVPPHGBBUSX-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000769447625 576354557 /nfs/dbraw/zinc/35/45/57/576354557.db2.gz YYSLHIHQNASVJV-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)CCCO)c([O-])c1 ZINC000769482921 576358103 /nfs/dbraw/zinc/35/81/03/576358103.db2.gz LIGKEILUTONYGL-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)CCCO)c([O-])c1 ZINC000769482921 576358105 /nfs/dbraw/zinc/35/81/05/576358105.db2.gz LIGKEILUTONYGL-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000742375138 576598521 /nfs/dbraw/zinc/59/85/21/576598521.db2.gz IUTVJDCZHJEHRM-HNNXBMFYSA-N 0 3 277.320 1.991 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743638980 576648646 /nfs/dbraw/zinc/64/86/46/576648646.db2.gz TXDKJZPSVDYLRB-DTWKUNHWSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743638980 576648647 /nfs/dbraw/zinc/64/86/47/576648647.db2.gz TXDKJZPSVDYLRB-DTWKUNHWSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000743638980 576648649 /nfs/dbraw/zinc/64/86/49/576648649.db2.gz TXDKJZPSVDYLRB-DTWKUNHWSA-N 0 3 254.355 1.666 20 10 CDCDHN C[NH+](C)[C@@]1(CNC(=O)c2cc([O-])cs2)CCSC1 ZINC000748432615 576912491 /nfs/dbraw/zinc/91/24/91/576912491.db2.gz BIZMWAKZMOURIS-GFCCVEGCSA-N 0 3 286.422 1.621 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756759559 577003238 /nfs/dbraw/zinc/00/32/38/577003238.db2.gz NAVIDBLQVSYGMK-HWWQOWPSSA-N 0 3 294.395 1.771 20 10 CDCDHN CN(C)c1ccc(CN(CC2(CO)COC2)C2CC2)cc1 ZINC000757390713 577039733 /nfs/dbraw/zinc/03/97/33/577039733.db2.gz ZMYFAUFACBGMRW-UHFFFAOYSA-N 0 3 290.407 1.726 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@@H](C)C[S@@](C)=O)c1O ZINC000894453299 618894349 /nfs/dbraw/zinc/89/43/49/618894349.db2.gz OCNSUYCMGNAMMT-JEOXALJRSA-N 0 3 285.409 1.908 20 10 CDCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1F ZINC000895332192 619577880 /nfs/dbraw/zinc/57/78/80/619577880.db2.gz SFXVSDQDHRJMHX-IUODEOHRSA-N 0 3 282.359 1.209 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)[C@@H](O)CO2 ZINC000853577716 694067393 /nfs/dbraw/zinc/06/73/93/694067393.db2.gz VENGJGFXRITEJC-RULNRJAQSA-N 0 3 261.321 1.660 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)[C@@H](O)CO2 ZINC000853577716 694067403 /nfs/dbraw/zinc/06/74/03/694067403.db2.gz VENGJGFXRITEJC-RULNRJAQSA-N 0 3 261.321 1.660 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834783262 688401731 /nfs/dbraw/zinc/40/17/31/688401731.db2.gz DABCKOVRADSIDL-ZIAGYGMSSA-N 0 3 295.379 1.383 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNCCOC ZINC000092495806 688430449 /nfs/dbraw/zinc/43/04/49/688430449.db2.gz JZAUBCKOSKHICA-UHFFFAOYSA-N 0 3 293.411 1.337 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)c([O-])c1 ZINC000839197088 688637317 /nfs/dbraw/zinc/63/73/17/688637317.db2.gz ZUAXKADCZAHBEJ-LBPRGKRZSA-N 0 3 278.352 1.407 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC([NH3+])CC2)c1[O-] ZINC000050158313 688706848 /nfs/dbraw/zinc/70/68/48/688706848.db2.gz XMIBBHDCGVZHJX-UHFFFAOYSA-N 0 3 266.316 1.657 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000830109042 688764479 /nfs/dbraw/zinc/76/44/79/688764479.db2.gz BPVJGTYPWWNRDO-UKRRQHHQSA-N 0 3 264.369 1.564 20 10 CDCDHN CON(C)C(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649248 694246423 /nfs/dbraw/zinc/24/64/23/694246423.db2.gz LRUOXWGLEPYTJJ-SNVBAGLBSA-N 0 3 252.314 1.453 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877475093 694368987 /nfs/dbraw/zinc/36/89/87/694368987.db2.gz LURCPIYTLQBMDL-ZDUSSCGKSA-N 0 3 283.368 1.204 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127495 692232278 /nfs/dbraw/zinc/23/22/78/692232278.db2.gz RRFQFIXYBNAJFS-MFKMUULPSA-N 0 3 250.317 1.715 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)CC)c([O-])c1 ZINC000788972601 692244720 /nfs/dbraw/zinc/24/47/20/692244720.db2.gz ARZWQDUPOULABS-NSHDSACASA-N 0 3 280.368 1.747 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000829764566 692299199 /nfs/dbraw/zinc/29/91/99/692299199.db2.gz OZMAYRQEICTSRR-HNNXBMFYSA-N 0 3 275.396 1.805 20 10 CDCDHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000811601024 692424165 /nfs/dbraw/zinc/42/41/65/692424165.db2.gz OYUQFDUTHCGRMX-VIFPVBQESA-N 0 3 256.371 1.912 20 10 CDCDHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000811601024 692424169 /nfs/dbraw/zinc/42/41/69/692424169.db2.gz OYUQFDUTHCGRMX-VIFPVBQESA-N 0 3 256.371 1.912 20 10 CDCDHN C[NH+](C)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126326425 692793835 /nfs/dbraw/zinc/79/38/35/692793835.db2.gz WCUYYEPAOQDYEX-UHFFFAOYSA-N 0 3 278.352 1.512 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1 ZINC000707553434 692889992 /nfs/dbraw/zinc/88/99/92/692889992.db2.gz XSRBPAHCAVTNQS-LLVKDONJSA-N 0 3 264.325 1.168 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)c([O-])c1 ZINC000862427132 693067627 /nfs/dbraw/zinc/06/76/27/693067627.db2.gz UDSZFQPRRUSFPJ-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c([O-])c1 ZINC000862427132 693067634 /nfs/dbraw/zinc/06/76/34/693067634.db2.gz UDSZFQPRRUSFPJ-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936981 693138153 /nfs/dbraw/zinc/13/81/53/693138153.db2.gz PNELAJCVQFJGON-GFCCVEGCSA-N 0 3 263.385 1.675 20 10 CDCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1nc[nH]n1 ZINC000790975011 693149851 /nfs/dbraw/zinc/14/98/51/693149851.db2.gz YJFBMVBBGORHEU-UHFFFAOYSA-N 0 3 270.695 1.635 20 10 CDCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[O-] ZINC000843124107 693311821 /nfs/dbraw/zinc/31/18/21/693311821.db2.gz VEDKUIBFPXZEPK-LBPRGKRZSA-N 0 3 298.770 1.383 20 10 CDCDHN C[C@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000788270866 693333596 /nfs/dbraw/zinc/33/35/96/693333596.db2.gz UPYKLCCRVYYTIV-JQWIXIFHSA-N 0 3 252.333 1.847 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794817938 694656828 /nfs/dbraw/zinc/65/68/28/694656828.db2.gz RMTKMGLLFFQFJM-AWEZNQCLSA-N 0 3 292.379 1.600 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(C)C)c1 ZINC000228930257 693378761 /nfs/dbraw/zinc/37/87/61/693378761.db2.gz OFNGBIHDBFKCBL-QWRGUYRKSA-N 0 3 280.368 1.965 20 10 CDCDHN Cc1ccc(C[NH2+]CCCC(=O)NC2CC2)c([O-])c1 ZINC000876934104 694687839 /nfs/dbraw/zinc/68/78/39/694687839.db2.gz BODDVRQMSZRPDL-UHFFFAOYSA-N 0 3 262.353 1.849 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894651 694734370 /nfs/dbraw/zinc/73/43/70/694734370.db2.gz SKKYHECNZURMOZ-LLVKDONJSA-N 0 3 274.286 1.960 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000877424925 694780645 /nfs/dbraw/zinc/78/06/45/694780645.db2.gz TVTJFJRLAWKBMS-LBPRGKRZSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000877424925 694780646 /nfs/dbraw/zinc/78/06/46/694780646.db2.gz TVTJFJRLAWKBMS-LBPRGKRZSA-N 0 3 258.325 1.739 20 10 CDCDHN CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977844 694594339 /nfs/dbraw/zinc/59/43/39/694594339.db2.gz QKJUTAULMANMNZ-CZXHOFHRSA-N 0 3 250.317 1.790 20 10 CDCDHN CC(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876652439 694695098 /nfs/dbraw/zinc/69/50/98/694695098.db2.gz OTJAKNIYDCMXQX-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000876995621 694813620 /nfs/dbraw/zinc/81/36/20/694813620.db2.gz IDYXBNGMZONGPG-OAHLLOKOSA-N 0 3 265.353 1.923 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CC[C@H](O)C1)CC2 ZINC000858601054 694879678 /nfs/dbraw/zinc/87/96/78/694879678.db2.gz AWPPLYQJYSUFIW-STQMWFEESA-N 0 3 262.353 1.036 20 10 CDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580707634 1172519039 /nfs/dbraw/zinc/51/90/39/1172519039.db2.gz DACAXEPRHWSSFD-RWEMILLDSA-N 0 3 264.300 1.003 20 10 CDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000866441322 723101258 /nfs/dbraw/zinc/10/12/58/723101258.db2.gz ZJJVUMCYTQRXEO-DCAQKATOSA-N 0 3 294.351 1.109 20 10 CDCDHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126365203 723104101 /nfs/dbraw/zinc/10/41/01/723104101.db2.gz JPERRBXACLJBTN-NSHDSACASA-N 0 3 278.352 1.558 20 10 CDCDHN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126365203 723104103 /nfs/dbraw/zinc/10/41/03/723104103.db2.gz JPERRBXACLJBTN-NSHDSACASA-N 0 3 278.352 1.558 20 10 CDCDHN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877612265 723202416 /nfs/dbraw/zinc/20/24/16/723202416.db2.gz GJLNJRMFMONXEI-CHWSQXEVSA-N 0 3 251.326 1.282 20 10 CDCDHN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877612265 723202420 /nfs/dbraw/zinc/20/24/20/723202420.db2.gz GJLNJRMFMONXEI-CHWSQXEVSA-N 0 3 251.326 1.282 20 10 CDCDHN C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412031 723209583 /nfs/dbraw/zinc/20/95/83/723209583.db2.gz BMKWQOQTDDGHHP-WDEREUQCSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412031 723209589 /nfs/dbraw/zinc/20/95/89/723209589.db2.gz BMKWQOQTDDGHHP-WDEREUQCSA-N 0 3 253.317 1.982 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c([O-])c1 ZINC000877129337 723367269 /nfs/dbraw/zinc/36/72/69/723367269.db2.gz BTZYTCAVBHGEHR-HIFRSBDPSA-N 0 3 292.379 1.426 20 10 CDCDHN Cc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000877484445 723404223 /nfs/dbraw/zinc/40/42/23/723404223.db2.gz AXLQFPZQINNLAG-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000877484445 723404230 /nfs/dbraw/zinc/40/42/30/723404230.db2.gz AXLQFPZQINNLAG-CQSZACIVSA-N 0 3 278.396 1.853 20 10 CDCDHN CC[C@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697367 723405062 /nfs/dbraw/zinc/40/50/62/723405062.db2.gz OTRNCUAPVRENHP-AWEZNQCLSA-N 0 3 279.384 1.327 20 10 CDCDHN CCS(=O)(=O)CCN[C@@H](C)c1cccc(OC)c1O ZINC000846148317 723480497 /nfs/dbraw/zinc/48/04/97/723480497.db2.gz ZDXLSMNATPUPKP-JTQLQIEISA-N 0 3 287.381 1.486 20 10 CDCDHN Oc1ccccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000778994411 723552139 /nfs/dbraw/zinc/55/21/39/723552139.db2.gz CRXYTIGJPAPDNP-OAHLLOKOSA-N 0 3 276.380 1.689 20 10 CDCDHN COc1cccc(O)c1CN1CCC(O)(C(F)F)CC1 ZINC000779209549 723586545 /nfs/dbraw/zinc/58/65/45/723586545.db2.gz XRROUHBHVAPVGA-UHFFFAOYSA-N 0 3 287.306 1.993 20 10 CDCDHN CCCOc1ccc(CN[C@@H]2COC[C@H]2O)cc1C ZINC000873130056 723676396 /nfs/dbraw/zinc/67/63/96/723676396.db2.gz WUUKSZBRMPAAFG-ZIAGYGMSSA-N 0 3 265.353 1.633 20 10 CDCDHN CN(CC(=O)NCCc1ccc(O)c(O)c1)C1CCC1 ZINC000863897210 1164492327 /nfs/dbraw/zinc/49/23/27/1164492327.db2.gz ARYYCHQXCZQLAE-UHFFFAOYSA-N 0 3 278.352 1.241 20 10 CDCDHN CCOCc1cc(CN[C@@H]2COC[C@@H]2OC)ccc1OC ZINC000839193803 723067240 /nfs/dbraw/zinc/06/72/40/723067240.db2.gz VPJYUPWBETXXQP-ZBFHGGJFSA-N 0 3 295.379 1.735 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CN(C)CCO1 ZINC000834685492 723251079 /nfs/dbraw/zinc/25/10/79/723251079.db2.gz XNCVODUOSDWKDC-NJZAAPMLSA-N 0 3 276.380 1.688 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1[O-] ZINC000843362686 723385809 /nfs/dbraw/zinc/38/58/09/723385809.db2.gz NPFXUSHNUFQARO-ONGXEEELSA-N 0 3 280.343 1.903 20 10 CDCDHN CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650096 723401223 /nfs/dbraw/zinc/40/12/23/723401223.db2.gz ILXGWRHZBFQIJQ-QWRGUYRKSA-N 0 3 267.325 1.357 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000877515981 1166050334 /nfs/dbraw/zinc/05/03/34/1166050334.db2.gz AICAPHZSZHEQCR-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000877515981 1166050340 /nfs/dbraw/zinc/05/03/40/1166050340.db2.gz AICAPHZSZHEQCR-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619771 914191422 /nfs/dbraw/zinc/19/14/22/914191422.db2.gz ZFKAEXYWGCOAMG-MRXNPFEDSA-N 0 3 288.347 1.363 20 10 CDCDHN CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619771 914191432 /nfs/dbraw/zinc/19/14/32/914191432.db2.gz ZFKAEXYWGCOAMG-MRXNPFEDSA-N 0 3 288.347 1.363 20 10 CDCDHN COC1(CO)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000775203281 921214057 /nfs/dbraw/zinc/21/40/57/921214057.db2.gz DQBAJYFHIXCRDV-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000228671599 907429305 /nfs/dbraw/zinc/42/93/05/907429305.db2.gz UMWGRNFBFOYFNA-NSHDSACASA-N 0 3 287.743 1.559 20 10 CDCDHN CCCNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000036959690 909929923 /nfs/dbraw/zinc/92/99/23/909929923.db2.gz HMTMSHSYJXZWAS-MNOVXSKESA-N 0 3 280.368 1.966 20 10 CDCDHN O=C1CC[C@@H]2C[C@@H]([N@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181791 911445941 /nfs/dbraw/zinc/44/59/41/911445941.db2.gz HZXBTUBZHGQAAC-UONOGXRCSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181791 911445948 /nfs/dbraw/zinc/44/59/48/911445948.db2.gz HZXBTUBZHGQAAC-UONOGXRCSA-N 0 3 286.375 1.904 20 10 CDCDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2c([O-])cccc2Cl)C1 ZINC001206422191 916371951 /nfs/dbraw/zinc/37/19/51/916371951.db2.gz CPIZFODHJOMAKD-DTWKUNHWSA-N 0 3 258.724 1.917 20 10 CDCDHN COc1cc(CN(C)CC2COC2)cc(O)c1O ZINC001204346493 917964877 /nfs/dbraw/zinc/96/48/77/917964877.db2.gz SBKKZNNEQAKWCY-UHFFFAOYSA-N 0 3 253.298 1.185 20 10 CDCDHN COc1cccc(CNC(=O)CN(C)CC(C)(C)C)c1O ZINC000821065120 918840532 /nfs/dbraw/zinc/84/05/32/918840532.db2.gz LKILPLYJSCDCIX-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](C)Cc1ccccc1[O-] ZINC001138470324 936539894 /nfs/dbraw/zinc/53/98/94/936539894.db2.gz XQKPTNNWWFSVDP-UHFFFAOYSA-N 0 3 275.308 1.534 20 10 CDCDHN Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001138470324 936539895 /nfs/dbraw/zinc/53/98/95/936539895.db2.gz XQKPTNNWWFSVDP-UHFFFAOYSA-N 0 3 275.308 1.534 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1F ZINC000827900696 936613160 /nfs/dbraw/zinc/61/31/60/936613160.db2.gz GVKIYEVLORCRNA-AWEZNQCLSA-N 0 3 279.359 1.635 20 10 CDCDHN Cc1c(O)ccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001140742525 936748584 /nfs/dbraw/zinc/74/85/84/936748584.db2.gz RAUWUKPPRRORPI-LLVKDONJSA-N 0 3 287.306 1.856 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140747706 936749591 /nfs/dbraw/zinc/74/95/91/936749591.db2.gz JFUYJTTVYZIBGN-LBPRGKRZSA-N 0 3 264.325 1.117 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001140948153 936782415 /nfs/dbraw/zinc/78/24/15/936782415.db2.gz VWJLQJGIDZBZAP-CABCVRRESA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001140948153 936782418 /nfs/dbraw/zinc/78/24/18/936782418.db2.gz VWJLQJGIDZBZAP-CABCVRRESA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001140950865 936783420 /nfs/dbraw/zinc/78/34/20/936783420.db2.gz LXGVFANQYHJUHC-AAEUAGOBSA-N 0 3 260.337 1.269 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001140950865 936783422 /nfs/dbraw/zinc/78/34/22/936783422.db2.gz LXGVFANQYHJUHC-AAEUAGOBSA-N 0 3 260.337 1.269 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(OC)cc1OC ZINC001141032980 936795651 /nfs/dbraw/zinc/79/56/51/936795651.db2.gz VWWWONVUAGLVOF-RYUDHWBXSA-N 0 3 292.379 1.688 20 10 CDCDHN COc1cc(O)c(CN2CC(N(C)C)C2)c(OC)c1 ZINC001141031988 936796008 /nfs/dbraw/zinc/79/60/08/936796008.db2.gz PONVHZFYFLAEGY-UHFFFAOYSA-N 0 3 266.341 1.155 20 10 CDCDHN CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169586673 928239255 /nfs/dbraw/zinc/23/92/55/928239255.db2.gz JEFGAGVKFNOOQG-GFCCVEGCSA-N 0 3 264.325 1.198 20 10 CDCDHN C[C@@H](CNCc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000697579507 937284264 /nfs/dbraw/zinc/28/42/64/937284264.db2.gz LGJOCBUFXTYRRL-NSHDSACASA-N 0 3 270.398 1.275 20 10 CDCDHN O=C(c1cc([O-])cs1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118555757 937639874 /nfs/dbraw/zinc/63/98/74/937639874.db2.gz NVJAZIZFDAZPAG-JTQLQIEISA-N 0 3 266.366 1.764 20 10 CDCDHN O=C(c1cc([O-])cs1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118555757 937639877 /nfs/dbraw/zinc/63/98/77/937639877.db2.gz NVJAZIZFDAZPAG-JTQLQIEISA-N 0 3 266.366 1.764 20 10 CDCDHN O[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001138496002 934463564 /nfs/dbraw/zinc/46/35/64/934463564.db2.gz MHDQEUWJJBAPDU-JKSUJKDBSA-N 0 3 294.370 1.428 20 10 CDCDHN COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001203634585 939698994 /nfs/dbraw/zinc/69/89/94/939698994.db2.gz MTPSRPREJJVRGQ-CQSZACIVSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001203634585 939698995 /nfs/dbraw/zinc/69/89/95/939698995.db2.gz MTPSRPREJJVRGQ-CQSZACIVSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c([O-])c1 ZINC001277458317 942629869 /nfs/dbraw/zinc/62/98/69/942629869.db2.gz WEFPIERKNMOUAF-MLGOLLRUSA-N 0 3 290.363 1.311 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c([O-])c1 ZINC001277458317 942629871 /nfs/dbraw/zinc/62/98/71/942629871.db2.gz WEFPIERKNMOUAF-MLGOLLRUSA-N 0 3 290.363 1.311 20 10 CDCDHN COc1cc(CN2CCC(O)CC2)c(O)cc1O ZINC001231633306 942949136 /nfs/dbraw/zinc/94/91/36/942949136.db2.gz UBPBCRZAWUQEBC-UHFFFAOYSA-N 0 3 253.298 1.063 20 10 CDCDHN Cc1ccc(CN2CC3(C2)SCC[C@H]3C(N)=O)c(O)c1 ZINC001277567982 943020343 /nfs/dbraw/zinc/02/03/43/943020343.db2.gz JLQDHXKKBRBCMC-LBPRGKRZSA-N 0 3 292.404 1.493 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@H](O)C1 ZINC001231847780 943029430 /nfs/dbraw/zinc/02/94/30/943029430.db2.gz CWKUNGKVMNNKJQ-IUODEOHRSA-N 0 3 278.396 1.964 20 10 CDCDHN CCc1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001236788080 944568025 /nfs/dbraw/zinc/56/80/25/944568025.db2.gz YIJQOXRFUALHNG-MRXNPFEDSA-N 0 3 277.364 1.946 20 10 CDCDHN Cc1cccc(O)c1CN1CC(N(C)[C@H]2CCOC2)C1 ZINC001237487686 944814348 /nfs/dbraw/zinc/81/43/48/944814348.db2.gz KSRMEAMOTIKUTH-ZDUSSCGKSA-N 0 3 276.380 1.606 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001237496411 944815938 /nfs/dbraw/zinc/81/59/38/944815938.db2.gz YLUNUOBHWWTZHN-ZDUSSCGKSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001237496411 944815944 /nfs/dbraw/zinc/81/59/44/944815944.db2.gz YLUNUOBHWWTZHN-ZDUSSCGKSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc(O)c1CN1Cc2ccnn2CC[C@H]1CO ZINC001237496554 944817883 /nfs/dbraw/zinc/81/78/83/944817883.db2.gz ZDOLMJGHZIRGPU-AWEZNQCLSA-N 0 3 287.363 1.664 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1[O-] ZINC001237681719 944923544 /nfs/dbraw/zinc/92/35/44/944923544.db2.gz PYWUZLXBVQRGDR-CMPLNLGQSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1[O-] ZINC001237681719 944923554 /nfs/dbraw/zinc/92/35/54/944923554.db2.gz PYWUZLXBVQRGDR-CMPLNLGQSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC001238060641 945044489 /nfs/dbraw/zinc/04/44/89/945044489.db2.gz CZPZBPUDSXCEKT-SECBINFHSA-N 0 3 252.289 1.147 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC001238060641 945044494 /nfs/dbraw/zinc/04/44/94/945044494.db2.gz CZPZBPUDSXCEKT-SECBINFHSA-N 0 3 252.289 1.147 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001249171790 949436941 /nfs/dbraw/zinc/43/69/41/949436941.db2.gz FUZDVWMOLMHNBW-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001249171790 949436957 /nfs/dbraw/zinc/43/69/57/949436957.db2.gz FUZDVWMOLMHNBW-AWEZNQCLSA-N 0 3 293.363 1.455 20 10 CDCDHN COCC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173714 949440642 /nfs/dbraw/zinc/44/06/42/949440642.db2.gz VPFIPGGXKMPMNI-UHFFFAOYSA-N 0 3 267.325 1.186 20 10 CDCDHN COCC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173714 949440653 /nfs/dbraw/zinc/44/06/53/949440653.db2.gz VPFIPGGXKMPMNI-UHFFFAOYSA-N 0 3 267.325 1.186 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000179587163 357214496 /nfs/dbraw/zinc/21/44/96/357214496.db2.gz ZITZRDPUQJQMFL-ZDUSSCGKSA-N 0 3 272.352 1.896 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000179587163 357214499 /nfs/dbraw/zinc/21/44/99/357214499.db2.gz ZITZRDPUQJQMFL-ZDUSSCGKSA-N 0 3 272.352 1.896 20 10 CDCDHN C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000189563254 358026340 /nfs/dbraw/zinc/02/63/40/358026340.db2.gz PIZRJKKKZUQRHE-SNVBAGLBSA-N 0 3 264.325 1.122 20 10 CDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([O-])c1O ZINC000192466434 358205375 /nfs/dbraw/zinc/20/53/75/358205375.db2.gz DFCRGWMXJHMRJW-PHIMTYICSA-N 0 3 276.336 1.040 20 10 CDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([O-])c1O ZINC000192466434 358205379 /nfs/dbraw/zinc/20/53/79/358205379.db2.gz DFCRGWMXJHMRJW-PHIMTYICSA-N 0 3 276.336 1.040 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1C ZINC000284250547 368508095 /nfs/dbraw/zinc/50/80/95/368508095.db2.gz FPLDKKFJOUEBHX-CABCVRRESA-N 0 3 292.423 1.896 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)F)c1 ZINC000271858537 371081762 /nfs/dbraw/zinc/08/17/62/371081762.db2.gz SYFJMPXFEDCJJO-MRVPVSSYSA-N 0 3 288.294 1.433 20 10 CDCDHN COC[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000296604394 371442161 /nfs/dbraw/zinc/44/21/61/371442161.db2.gz XXZRNLOOFOXEQG-VXGBXAGGSA-N 0 3 251.326 1.631 20 10 CDCDHN Cc1cccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292811569 377552469 /nfs/dbraw/zinc/55/24/69/377552469.db2.gz OWHAJQTVSLSWGT-CYBMUJFWSA-N 0 3 298.408 1.166 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1 ZINC000294122347 378615709 /nfs/dbraw/zinc/61/57/09/378615709.db2.gz KVSDQCKTFVRRNT-LLVKDONJSA-N 0 3 291.351 1.211 20 10 CDCDHN COC1CCN(c2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000295016994 378657284 /nfs/dbraw/zinc/65/72/84/378657284.db2.gz UCCLLRPUDNKHIK-INIZCTEOSA-N 0 3 290.407 1.868 20 10 CDCDHN CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000106426903 390544859 /nfs/dbraw/zinc/54/48/59/390544859.db2.gz ZQKQUVIYJKLYOT-OAHLLOKOSA-N 0 3 277.412 1.955 20 10 CDCDHN Cn1cc(N2CC[C@H](NCc3ccc4c(c3)CCO4)C2)cn1 ZINC000374247944 391156436 /nfs/dbraw/zinc/15/64/36/391156436.db2.gz SNBHNEYKJFKWTM-HNNXBMFYSA-N 0 3 298.390 1.724 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1[O-] ZINC000124707654 391224650 /nfs/dbraw/zinc/22/46/50/391224650.db2.gz WCOSEHAETWQQDE-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000181564145 391224612 /nfs/dbraw/zinc/22/46/12/391224612.db2.gz WZEFGAWLCPBAGY-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN CO[C@H]1COC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000289832972 391619417 /nfs/dbraw/zinc/61/94/17/391619417.db2.gz OLFSIHHUZINUTN-JSGCOSHPSA-N 0 3 268.332 1.395 20 10 CDCDHN C[C@@H](NC[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060939 174072761 /nfs/dbraw/zinc/07/27/61/174072761.db2.gz NUBZLKHHZJRSJY-IUODEOHRSA-N 0 3 264.369 1.819 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082858 174092126 /nfs/dbraw/zinc/09/21/26/174092126.db2.gz QADMBKSMOCYTPS-WCQYABFASA-N 0 3 283.393 1.868 20 10 CDCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000128124840 260371971 /nfs/dbraw/zinc/37/19/71/260371971.db2.gz VZKSFRIDITXTGP-QWHCGFSZSA-N 0 3 265.309 1.370 20 10 CDCDHN CCOc1ccc(O)c(CN2CCN(CC)CC2)c1 ZINC000157433507 261145717 /nfs/dbraw/zinc/14/57/17/261145717.db2.gz OVHLPFWOSAXDPA-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000184670822 262291583 /nfs/dbraw/zinc/29/15/83/262291583.db2.gz RALDYBXRPKORPV-QMMMGPOBSA-N 0 3 284.743 1.361 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000184670822 262291585 /nfs/dbraw/zinc/29/15/85/262291585.db2.gz RALDYBXRPKORPV-QMMMGPOBSA-N 0 3 284.743 1.361 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185364236 327839036 /nfs/dbraw/zinc/83/90/36/327839036.db2.gz MHWWTYPFBQYYNT-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000219923321 333159344 /nfs/dbraw/zinc/15/93/44/333159344.db2.gz PYVVNMCYZYWACT-MWLCHTKSSA-N 0 3 265.309 1.778 20 10 CDCDHN COc1cccc(CN2CC[C@H](N3CCOCC3)C2)c1O ZINC000134138792 334081542 /nfs/dbraw/zinc/08/15/42/334081542.db2.gz JSTMTDBMHKFKQO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000134138792 334081544 /nfs/dbraw/zinc/08/15/44/334081544.db2.gz JSTMTDBMHKFKQO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000134138792 334081546 /nfs/dbraw/zinc/08/15/46/334081546.db2.gz JSTMTDBMHKFKQO-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1 ZINC000135778537 334138550 /nfs/dbraw/zinc/13/85/50/334138550.db2.gz XBWKHXVQKLMTCI-NSHDSACASA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000272930048 334758449 /nfs/dbraw/zinc/75/84/49/334758449.db2.gz ZJUJCYZZLKMJMG-NWDGAFQWSA-N 0 3 298.408 1.467 20 10 CDCDHN CCCNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617116 519880653 /nfs/dbraw/zinc/88/06/53/519880653.db2.gz KUQHDSIDGYZWQH-SECBINFHSA-N 0 3 254.305 1.708 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)CCC(N)=O)c([O-])c1 ZINC000289596576 520344939 /nfs/dbraw/zinc/34/49/39/520344939.db2.gz KPTSMEJZDYPVMF-UHFFFAOYSA-N 0 3 266.341 1.488 20 10 CDCDHN CCOCCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000127417585 519921190 /nfs/dbraw/zinc/92/11/90/519921190.db2.gz WOIHDVNEWSZOIM-UHFFFAOYSA-N 0 3 291.439 1.907 20 10 CDCDHN CCOCC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000277820494 520062608 /nfs/dbraw/zinc/06/26/08/520062608.db2.gz VOAAHRLDJZSJGP-CYBMUJFWSA-N 0 3 253.342 1.612 20 10 CDCDHN CCOCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000277820494 520062617 /nfs/dbraw/zinc/06/26/17/520062617.db2.gz VOAAHRLDJZSJGP-CYBMUJFWSA-N 0 3 253.342 1.612 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)CCC(N)=O)c([O-])c1 ZINC000289596576 520344927 /nfs/dbraw/zinc/34/49/27/520344927.db2.gz KPTSMEJZDYPVMF-UHFFFAOYSA-N 0 3 266.341 1.488 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])[C@@H]1OC ZINC000274847450 520430786 /nfs/dbraw/zinc/43/07/86/520430786.db2.gz AIXZQKBFTZGVBO-GUTXKFCHSA-N 0 3 265.353 1.983 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000093899534 524080607 /nfs/dbraw/zinc/08/06/07/524080607.db2.gz PXOZMAMVSANRDL-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000093899534 524080608 /nfs/dbraw/zinc/08/06/08/524080608.db2.gz PXOZMAMVSANRDL-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000364972804 524745397 /nfs/dbraw/zinc/74/53/97/524745397.db2.gz LMVKYLSWDGQPGL-VZJVUDMVSA-N 0 3 290.363 1.487 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803341 525346679 /nfs/dbraw/zinc/34/66/79/525346679.db2.gz SMZBJAYMUGCREN-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803341 525346687 /nfs/dbraw/zinc/34/66/87/525346687.db2.gz SMZBJAYMUGCREN-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)C1CC1 ZINC000732668215 575093467 /nfs/dbraw/zinc/09/34/67/575093467.db2.gz DAIURWIGAXUHIP-AWEZNQCLSA-N 0 3 251.326 1.651 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000765624572 576045952 /nfs/dbraw/zinc/04/59/52/576045952.db2.gz AMNCEUGQJXTFHV-UHFFFAOYSA-N 0 3 284.363 1.941 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c1[O-] ZINC000765797243 576056815 /nfs/dbraw/zinc/05/68/15/576056815.db2.gz RBBWRVFJLFEVNB-QWHCGFSZSA-N 0 3 292.379 1.795 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000769072309 576326892 /nfs/dbraw/zinc/32/68/92/576326892.db2.gz BILPSINYTWDGQL-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000769072309 576326893 /nfs/dbraw/zinc/32/68/93/576326893.db2.gz BILPSINYTWDGQL-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000769469254 576356831 /nfs/dbraw/zinc/35/68/31/576356831.db2.gz WLBWPOKQZLLVKA-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(OC)CCOC1 ZINC000763478112 576738544 /nfs/dbraw/zinc/73/85/44/576738544.db2.gz AIEYHWGCGDOYTK-CQSZACIVSA-N 0 3 267.325 1.296 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000745789834 576742628 /nfs/dbraw/zinc/74/26/28/576742628.db2.gz QOLUOUHVCGKPDW-AAEUAGOBSA-N 0 3 277.368 1.674 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000754891008 576921222 /nfs/dbraw/zinc/92/12/22/576921222.db2.gz SAPGQDXDJQMPDK-LBPRGKRZSA-N 0 3 299.392 1.458 20 10 CDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000749127061 576936315 /nfs/dbraw/zinc/93/63/15/576936315.db2.gz UEFACWXXHVHOFF-LLVKDONJSA-N 0 3 295.358 1.016 20 10 CDCDHN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000756537399 576994270 /nfs/dbraw/zinc/99/42/70/576994270.db2.gz YPZIZDFMQYYFHA-RYUDHWBXSA-N 0 3 282.359 1.903 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1OC ZINC000894185870 618669162 /nfs/dbraw/zinc/66/91/62/618669162.db2.gz TUPIBZZWXXTTIX-BPLDGKMQSA-N 0 3 281.352 1.683 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCO2)c1[O-] ZINC000894879035 619115675 /nfs/dbraw/zinc/11/56/75/619115675.db2.gz OWJHYWWQEDPCEB-SNVBAGLBSA-N 0 3 273.716 1.517 20 10 CDCDHN COc1cc(O)c(CNC[C@H]2CC(C)=NO2)cc1OC ZINC000895306802 619533418 /nfs/dbraw/zinc/53/34/18/619533418.db2.gz KEDNJPRLILSKGQ-LLVKDONJSA-N 0 3 280.324 1.664 20 10 CDCDHN COc1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1C ZINC000895315560 619545044 /nfs/dbraw/zinc/54/50/44/619545044.db2.gz BNBGRNDXWNCHMT-ZDUSSCGKSA-N 0 3 262.353 1.618 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895329874 619574596 /nfs/dbraw/zinc/57/45/96/619574596.db2.gz KGJHJXTUHJSXBG-WFASDCNBSA-N 0 3 281.352 1.109 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895329874 619574598 /nfs/dbraw/zinc/57/45/98/619574598.db2.gz KGJHJXTUHJSXBG-WFASDCNBSA-N 0 3 281.352 1.109 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000897684230 621072075 /nfs/dbraw/zinc/07/20/75/621072075.db2.gz LKFJZRRRAGGMSV-IINYFYTJSA-N 0 3 252.333 1.704 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000897683772 621072562 /nfs/dbraw/zinc/07/25/62/621072562.db2.gz GSFIXDFUNKRKEH-HZMBPMFUSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000897683772 621072563 /nfs/dbraw/zinc/07/25/63/621072563.db2.gz GSFIXDFUNKRKEH-HZMBPMFUSA-N 0 3 251.326 1.604 20 10 CDCDHN C[S@](=O)CCNCc1ccc2c(c1)CCCO2 ZINC000921751140 633265420 /nfs/dbraw/zinc/26/54/20/633265420.db2.gz DUNQSLJDFVWKNA-KRWDZBQOSA-N 0 3 253.367 1.480 20 10 CDCDHN CN(C)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1 ZINC000391410547 695252106 /nfs/dbraw/zinc/25/21/06/695252106.db2.gz ZNEQUJGFIWYBAD-UHFFFAOYSA-N 0 3 284.425 1.665 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@@H](CN)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000841087428 695191053 /nfs/dbraw/zinc/19/10/53/695191053.db2.gz OFIRNNWEGFVPRA-NSHDSACASA-N 0 3 297.355 1.772 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000858553497 695272994 /nfs/dbraw/zinc/27/29/94/695272994.db2.gz QYQDHCQDEOQGLF-GMTLJSCSSA-N 0 3 281.327 1.819 20 10 CDCDHN CCN1CCCN(Cc2c(C)cccc2O)CC1=O ZINC000877465944 695362547 /nfs/dbraw/zinc/36/25/47/695362547.db2.gz CSKGMESLUDHKCP-UHFFFAOYSA-N 0 3 262.353 1.755 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000857084363 695372885 /nfs/dbraw/zinc/37/28/85/695372885.db2.gz OKZBVGTVFCMUFD-BXKDBHETSA-N 0 3 266.316 1.803 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC[C@H]1C ZINC000840942481 695394059 /nfs/dbraw/zinc/39/40/59/695394059.db2.gz UMAHFRWLGMITAH-ABAIWWIYSA-N 0 3 275.396 1.675 20 10 CDCDHN COCCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000839564217 695457426 /nfs/dbraw/zinc/45/74/26/695457426.db2.gz SICSIKQHIVRCSJ-CYBMUJFWSA-N 0 3 293.411 1.556 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775645882 695467778 /nfs/dbraw/zinc/46/77/78/695467778.db2.gz SNFFZKOSLXUFMY-HNNXBMFYSA-N 0 3 289.423 1.659 20 10 CDCDHN CN1CCN(c2ccc(CNCc3ncc[nH]3)cc2)CC1 ZINC000877672450 695570232 /nfs/dbraw/zinc/57/02/32/695570232.db2.gz FGGLYMDWIMEECL-UHFFFAOYSA-N 0 3 285.395 1.451 20 10 CDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955933 695765904 /nfs/dbraw/zinc/76/59/04/695765904.db2.gz RSYKSYPEZCAJTK-NWDGAFQWSA-N 0 3 276.384 1.203 20 10 CDCDHN CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000858585849 695821745 /nfs/dbraw/zinc/82/17/45/695821745.db2.gz BSRZQIHKWSUBOV-NXEZZACHSA-N 0 3 252.314 1.451 20 10 CDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2ccccc2[O-])CCOC1 ZINC000123273295 695869425 /nfs/dbraw/zinc/86/94/25/695869425.db2.gz VVBMCXOHQDRXEL-SMDDNHRTSA-N 0 3 251.326 1.848 20 10 CDCDHN CN(C)c1ncc(C[NH2+]Cc2ccccc2[O-])n1C ZINC000228406567 696055537 /nfs/dbraw/zinc/05/55/37/696055537.db2.gz QPVYKFCLKPYWSR-UHFFFAOYSA-N 0 3 260.341 1.482 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877049976 696087328 /nfs/dbraw/zinc/08/73/28/696087328.db2.gz WMLSAADOCAYHRS-MFKMUULPSA-N 0 3 255.383 1.903 20 10 CDCDHN CCOc1cccc(CN2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000233821439 696117666 /nfs/dbraw/zinc/11/76/66/696117666.db2.gz NAPPAYBOKKODFH-OKILXGFUSA-N 0 3 281.352 1.637 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846137841 696217616 /nfs/dbraw/zinc/21/76/16/696217616.db2.gz RJMDTIVJGKJNSU-UWVGGRQHSA-N 0 3 266.341 1.576 20 10 CDCDHN CC(C)CC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528578 1165863366 /nfs/dbraw/zinc/86/33/66/1165863366.db2.gz ZBHXOUOOMBCCBY-CQSZACIVSA-N 0 3 263.385 1.691 20 10 CDCDHN CCc1cccc(CN(CC)[C@@H]2CCNC2=O)c1O ZINC000848909690 723696278 /nfs/dbraw/zinc/69/62/78/723696278.db2.gz ZQTAWPJAJAPNSH-CYBMUJFWSA-N 0 3 262.353 1.665 20 10 CDCDHN COc1c([O-])c(CNC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841033176 723705571 /nfs/dbraw/zinc/70/55/71/723705571.db2.gz OGJRSQGWIOPNNB-NSHDSACASA-N 0 3 295.339 1.541 20 10 CDCDHN CCc1cccc(CN[C@H](C)C(=O)N(C)OC)c1O ZINC000862542602 723759218 /nfs/dbraw/zinc/75/92/18/723759218.db2.gz UVGIAKBHQLLCLO-SNVBAGLBSA-N 0 3 266.341 1.453 20 10 CDCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@@H]2O)cc1 ZINC000866418808 723862964 /nfs/dbraw/zinc/86/29/64/723862964.db2.gz USIDXHGKFDBKAN-GLQYFDAESA-N 0 3 264.369 1.553 20 10 CDCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311954023 724018951 /nfs/dbraw/zinc/01/89/51/724018951.db2.gz YGLJHKFYIOADAE-ITDIGPHOSA-N 0 3 263.337 1.509 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2COC[C@H]2C)c([O-])c1 ZINC000922641458 724132269 /nfs/dbraw/zinc/13/22/69/724132269.db2.gz LTCBOJNBBFDEHM-MFKMUULPSA-N 0 3 251.326 1.915 20 10 CDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000840826794 724204682 /nfs/dbraw/zinc/20/46/82/724204682.db2.gz VXZNWLJLSFSXRG-YDEJPDAXSA-N 0 3 255.289 1.596 20 10 CDCDHN COc1cc(CN2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1C ZINC000792710337 724265087 /nfs/dbraw/zinc/26/50/87/724265087.db2.gz OOXJVXMYBYSYFE-GASCZTMLSA-N 0 3 281.352 1.555 20 10 CDCDHN C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000193400240 724457134 /nfs/dbraw/zinc/45/71/34/724457134.db2.gz FWYHVWUYZWIVFR-OKILXGFUSA-N 0 3 278.396 1.933 20 10 CDCDHN C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000193400240 724457135 /nfs/dbraw/zinc/45/71/35/724457135.db2.gz FWYHVWUYZWIVFR-OKILXGFUSA-N 0 3 278.396 1.933 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848526372 724522607 /nfs/dbraw/zinc/52/26/07/724522607.db2.gz YAPVZNCATZLGIG-OAHLLOKOSA-N 0 3 276.380 1.735 20 10 CDCDHN CC[C@H](N)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807418 724602316 /nfs/dbraw/zinc/60/23/16/724602316.db2.gz CQWPKGGYAGFUTN-AWEZNQCLSA-N 0 3 263.385 1.838 20 10 CDCDHN Cc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c([O-])c1 ZINC000877499155 724743302 /nfs/dbraw/zinc/74/33/02/724743302.db2.gz LVYVIENUTNNECB-KRWDZBQOSA-N 0 3 253.367 1.701 20 10 CDCDHN CNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125058050 724773525 /nfs/dbraw/zinc/77/35/25/724773525.db2.gz VOWPFWTXHLMDJH-ZDUSSCGKSA-N 0 3 293.386 1.850 20 10 CDCDHN C[NH2+]C[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000854232528 724820085 /nfs/dbraw/zinc/82/00/85/724820085.db2.gz SDOLZRFNHIJQHK-NXEZZACHSA-N 0 3 266.341 1.437 20 10 CDCDHN COCCNCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597394 723756910 /nfs/dbraw/zinc/75/69/10/723756910.db2.gz GRJNZKMUBXDLHE-UHFFFAOYSA-N 0 3 292.379 1.123 20 10 CDCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563765 723766697 /nfs/dbraw/zinc/76/66/97/723766697.db2.gz PHGNIZAYXKGNCA-ZFWWWQNUSA-N 0 3 265.353 1.842 20 10 CDCDHN CCN1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC000922157679 723889297 /nfs/dbraw/zinc/88/92/97/723889297.db2.gz CODHALJIEDIUGH-CQSZACIVSA-N 0 3 274.364 1.722 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000877095733 724314587 /nfs/dbraw/zinc/31/45/87/724314587.db2.gz SQZZPWIOOIIBEI-UHFFFAOYSA-N 0 3 276.296 1.595 20 10 CDCDHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870987675 725052830 /nfs/dbraw/zinc/05/28/30/725052830.db2.gz AEKVDGXQRAXPGR-KOLCDFICSA-N 0 3 268.382 1.650 20 10 CDCDHN CCN1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000391500085 725068268 /nfs/dbraw/zinc/06/82/68/725068268.db2.gz VOBKOFQJNVINMV-VXGBXAGGSA-N 0 3 262.353 1.972 20 10 CDCDHN CC[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000130380894 725069252 /nfs/dbraw/zinc/06/92/52/725069252.db2.gz YDGJJKGVJCYRTJ-OAHLLOKOSA-N 0 3 291.395 1.471 20 10 CDCDHN CN(Cc1cc(Br)ccc1[O-])C1C[NH2+]C1 ZINC000234281385 725092731 /nfs/dbraw/zinc/09/27/31/725092731.db2.gz FURYYJWXQCZXMA-UHFFFAOYSA-N 0 3 271.158 1.558 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)CC(F)F)CC2 ZINC000717743100 725162481 /nfs/dbraw/zinc/16/24/81/725162481.db2.gz GZLLIRYZJAYSTM-ZJUUUORDSA-N 0 3 257.280 1.985 20 10 CDCDHN CC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036871269 725216218 /nfs/dbraw/zinc/21/62/18/725216218.db2.gz LHBNBBNRTNYSGI-CQSZACIVSA-N 0 3 277.368 1.081 20 10 CDCDHN Cc1cc(CNC2(C(N)=O)CCOCC2)ccc1N(C)C ZINC000852493031 725220535 /nfs/dbraw/zinc/22/05/35/725220535.db2.gz DAHUFMUVQRFMFH-UHFFFAOYSA-N 0 3 291.395 1.185 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000857068163 725266487 /nfs/dbraw/zinc/26/64/87/725266487.db2.gz LDLMDKFSFIHRRU-GFCCVEGCSA-N 0 3 298.770 1.765 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(OCCO)CCOCC2)c([O-])c1 ZINC000877501449 725317336 /nfs/dbraw/zinc/31/73/36/725317336.db2.gz QBLMQNRGBWFVHJ-UHFFFAOYSA-N 0 3 295.379 1.348 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(F)ccc1[O-] ZINC000817984173 725385716 /nfs/dbraw/zinc/38/57/16/725385716.db2.gz VRSXNSNVKIMKKC-ONGXEEELSA-N 0 3 254.305 1.170 20 10 CDCDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000179587518 725399271 /nfs/dbraw/zinc/39/92/71/725399271.db2.gz FGNRIJCXRJWWBU-ZDUSSCGKSA-N 0 3 262.353 1.692 20 10 CDCDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000179587518 725399273 /nfs/dbraw/zinc/39/92/73/725399273.db2.gz FGNRIJCXRJWWBU-ZDUSSCGKSA-N 0 3 262.353 1.692 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000228670884 725402650 /nfs/dbraw/zinc/40/26/50/725402650.db2.gz YGHFRAWMUOEYQN-NSHDSACASA-N 0 3 298.770 1.813 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1cc(OC)ccc1O ZINC000312876845 725405803 /nfs/dbraw/zinc/40/58/03/725405803.db2.gz BLJOEQUCAIIGAI-UHFFFAOYSA-N 0 3 266.341 1.405 20 10 CDCDHN CCN(C)c1ccc(CN(C)CCNC(C)=O)cc1 ZINC000830147989 725418762 /nfs/dbraw/zinc/41/87/62/725418762.db2.gz AETBFICMOWPMHH-UHFFFAOYSA-N 0 3 263.385 1.711 20 10 CDCDHN C[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOC1 ZINC000397111182 725447510 /nfs/dbraw/zinc/44/75/10/725447510.db2.gz CHBFBHQIYJBRQO-CQSZACIVSA-N 0 3 265.309 1.637 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092101333 725478294 /nfs/dbraw/zinc/47/82/94/725478294.db2.gz GHNVIBXVASYZTH-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092101333 725478297 /nfs/dbraw/zinc/47/82/97/725478297.db2.gz GHNVIBXVASYZTH-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCC[S@@](C)=O)c1[O-] ZINC000169089007 725958759 /nfs/dbraw/zinc/95/87/59/725958759.db2.gz QMUSXAZPVZMVJL-SFHVURJKSA-N 0 3 291.800 1.912 20 10 CDCDHN COCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778999818 725982367 /nfs/dbraw/zinc/98/23/67/725982367.db2.gz LAOBAGFSZNBFJE-UHFFFAOYSA-N 0 3 296.342 1.258 20 10 CDCDHN COCC1C[NH+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249173728 912527553 /nfs/dbraw/zinc/52/75/53/912527553.db2.gz VQAWQLDAJWVRGH-UHFFFAOYSA-N 0 3 279.336 1.186 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2F)CC[C@H]1F ZINC001206200640 912566577 /nfs/dbraw/zinc/56/65/77/912566577.db2.gz SIRJQFNNCRJIML-MWLCHTKSSA-N 0 3 274.286 1.932 20 10 CDCDHN C[C@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2C)c1ccccc1[O-] ZINC001172127203 911220767 /nfs/dbraw/zinc/22/07/67/911220767.db2.gz PSLYNYUXBQFHTC-FUDCBSFHSA-N 0 3 276.380 1.904 20 10 CDCDHN Cc1cc(C)c(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)c([O-])c1 ZINC001172131709 911230406 /nfs/dbraw/zinc/23/04/06/911230406.db2.gz CDQXNTLOYKIUSG-GOOCMWNKSA-N 0 3 290.407 1.960 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163297 911542144 /nfs/dbraw/zinc/54/21/44/911542144.db2.gz BKYJJIYBQUHALP-PWSUYJOCSA-N 0 3 256.296 1.793 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163297 911542159 /nfs/dbraw/zinc/54/21/59/911542159.db2.gz BKYJJIYBQUHALP-PWSUYJOCSA-N 0 3 256.296 1.793 20 10 CDCDHN Cc1cc(CN2CC[C@@H](O)[C@](C)(CO)C2)ccc1N(C)C ZINC001139669554 936318561 /nfs/dbraw/zinc/31/85/61/936318561.db2.gz AJGMHTOXPBNOBX-SJORKVTESA-N 0 3 292.423 1.626 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@H](F)[C@@H](O)C3)ccc21 ZINC001138354206 936525339 /nfs/dbraw/zinc/52/53/39/936525339.db2.gz APWPMXRKZOFPOW-HOCLYGCPSA-N 0 3 278.371 1.974 20 10 CDCDHN Cc1ccc(C)c(CN2CCN(c3ncncn3)CC2)c1O ZINC001140184921 936685326 /nfs/dbraw/zinc/68/53/26/936685326.db2.gz LABGTQWTISRLRW-UHFFFAOYSA-N 0 3 299.378 1.516 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140584467 936727620 /nfs/dbraw/zinc/72/76/20/936727620.db2.gz SFOBJWPQVZETRS-AOOOYVTPSA-N 0 3 268.307 1.664 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140584467 936727622 /nfs/dbraw/zinc/72/76/22/936727622.db2.gz SFOBJWPQVZETRS-AOOOYVTPSA-N 0 3 268.307 1.664 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@H](CO)C[C@H](F)C2)c1 ZINC001140617556 936731421 /nfs/dbraw/zinc/73/14/21/936731421.db2.gz TYQDAOWRRBIFCP-YPMHNXCESA-N 0 3 253.317 1.853 20 10 CDCDHN C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660482 936736641 /nfs/dbraw/zinc/73/66/41/936736641.db2.gz SXQYAXPYPPCLAJ-MRXNPFEDSA-N 0 3 294.370 1.619 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)c(OC)c1 ZINC001141026233 936794115 /nfs/dbraw/zinc/79/41/15/936794115.db2.gz ISGOUBFGZXDVOZ-JTQLQIEISA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2CO)c(OC)c1 ZINC001141026233 936794116 /nfs/dbraw/zinc/79/41/16/936794116.db2.gz ISGOUBFGZXDVOZ-JTQLQIEISA-N 0 3 267.325 1.366 20 10 CDCDHN CCN(Cc1ccc2c(c1)OCCN2C)C1CN(C)C1 ZINC001141144494 936819567 /nfs/dbraw/zinc/81/95/67/936819567.db2.gz FYKKCYBMXZBSTJ-UHFFFAOYSA-N 0 3 275.396 1.651 20 10 CDCDHN CS(=O)(=O)C1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001169864686 928487987 /nfs/dbraw/zinc/48/79/87/928487987.db2.gz ZKZQRIFPNSDRAM-UHFFFAOYSA-N 0 3 299.392 1.543 20 10 CDCDHN C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603385 937284991 /nfs/dbraw/zinc/28/49/91/937284991.db2.gz HVSOZVQCFFEXRG-VXGBXAGGSA-N 0 3 284.425 1.836 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)c([O-])c1 ZINC000862427131 929414162 /nfs/dbraw/zinc/41/41/62/929414162.db2.gz UDSZFQPRRUSFPJ-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)c([O-])c1 ZINC000862427131 929414166 /nfs/dbraw/zinc/41/41/66/929414166.db2.gz UDSZFQPRRUSFPJ-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN C[NH+](C)CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133872321 937496909 /nfs/dbraw/zinc/49/69/09/937496909.db2.gz FJGPAUYLJHTJOI-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN CN1CCC[C@](C)(NC(=O)c2cccc(O)c2O)C1 ZINC001148224494 932672212 /nfs/dbraw/zinc/67/22/12/932672212.db2.gz NEXARCVHGOGCRP-AWEZNQCLSA-N 0 3 264.325 1.312 20 10 CDCDHN CCn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000688524572 934635757 /nfs/dbraw/zinc/63/57/57/934635757.db2.gz RXMQPJBHBMSDAU-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560847 939693226 /nfs/dbraw/zinc/69/32/26/939693226.db2.gz HRGNDKSNIYUPPH-CYBMUJFWSA-N 0 3 278.352 1.119 20 10 CDCDHN COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560847 939693228 /nfs/dbraw/zinc/69/32/28/939693228.db2.gz HRGNDKSNIYUPPH-CYBMUJFWSA-N 0 3 278.352 1.119 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001203634407 939698690 /nfs/dbraw/zinc/69/86/90/939698690.db2.gz DTPCDQPJDDUZFH-UHFFFAOYSA-N 0 3 262.353 1.538 20 10 CDCDHN COc1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001203634407 939698691 /nfs/dbraw/zinc/69/86/91/939698691.db2.gz DTPCDQPJDDUZFH-UHFFFAOYSA-N 0 3 262.353 1.538 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001203940092 939715167 /nfs/dbraw/zinc/71/51/67/939715167.db2.gz IKLSFSQIDVGAIU-DOTOQJQBSA-N 0 3 292.423 1.708 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204283011 939752331 /nfs/dbraw/zinc/75/23/31/939752331.db2.gz WHKPFHMUZKQFNA-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204283011 939752332 /nfs/dbraw/zinc/75/23/32/939752332.db2.gz WHKPFHMUZKQFNA-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COc1cc(CN2CCC[C@@H](CO)CC2)cc(O)c1O ZINC001204344080 939758546 /nfs/dbraw/zinc/75/85/46/939758546.db2.gz UZIOJAYISAPJRZ-LLVKDONJSA-N 0 3 281.352 1.701 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1C[NH3+] ZINC001205636132 939910563 /nfs/dbraw/zinc/91/05/63/939910563.db2.gz CNFOLDORPONQJZ-AAEUAGOBSA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1C[NH3+] ZINC001205636132 939910567 /nfs/dbraw/zinc/91/05/67/939910567.db2.gz CNFOLDORPONQJZ-AAEUAGOBSA-N 0 3 292.379 1.897 20 10 CDCDHN CC1(CN2CCCc3cc(O)c(O)cc3C2)COC1 ZINC001207800826 940248355 /nfs/dbraw/zinc/24/83/55/940248355.db2.gz XKYLIYJDVJGVJB-UHFFFAOYSA-N 0 3 263.337 1.883 20 10 CDCDHN Nc1ccc(CC(=O)Nc2cc([C@H]3CCCN3)no2)cc1 ZINC001218714142 941261341 /nfs/dbraw/zinc/26/13/41/941261341.db2.gz VBZXGGANYJIQOF-GFCCVEGCSA-N 0 3 286.335 1.863 20 10 CDCDHN [NH3+][C@@]12CC[C@@](NC(=O)c3cc(O)c([O-])c(O)c3)(C1)CCC2 ZINC001220782772 941472486 /nfs/dbraw/zinc/47/24/86/941472486.db2.gz UPAMWPVPCJZZHS-LSDHHAIUSA-N 0 3 292.335 1.337 20 10 CDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442646 942581181 /nfs/dbraw/zinc/58/11/81/942581181.db2.gz YKKQBWASSLOGBH-MLGOLLRUSA-N 0 3 298.346 1.576 20 10 CDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277442646 942581186 /nfs/dbraw/zinc/58/11/86/942581186.db2.gz YKKQBWASSLOGBH-MLGOLLRUSA-N 0 3 298.346 1.576 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(OC)c(O)cc1O ZINC001231638997 942954880 /nfs/dbraw/zinc/95/48/80/942954880.db2.gz CJXAKPXMPSFWIR-RYUDHWBXSA-N 0 3 278.352 1.385 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c([O-])c1 ZINC001277566861 943015466 /nfs/dbraw/zinc/01/54/66/943015466.db2.gz BZSNNBIXAZEYHW-NFAWXSAZSA-N 0 3 290.363 1.165 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c([O-])c1 ZINC001277566861 943015471 /nfs/dbraw/zinc/01/54/71/943015471.db2.gz BZSNNBIXAZEYHW-NFAWXSAZSA-N 0 3 290.363 1.165 20 10 CDCDHN C[C@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483404 943593041 /nfs/dbraw/zinc/59/30/41/943593041.db2.gz YNMQAKKROGFZSQ-ZDUSSCGKSA-N 0 3 253.298 1.008 20 10 CDCDHN Oc1cc(O)c(CN2CCC3(C[C@H](F)CO3)CC2)cc1O ZINC001233486401 943594489 /nfs/dbraw/zinc/59/44/89/943594489.db2.gz LVSUMRRJKMRLEZ-NSHDSACASA-N 0 3 297.326 1.896 20 10 CDCDHN [O-]c1cccc(Cl)c1CN(C1CC1)C1C[NH2+]C1 ZINC001236065138 944399085 /nfs/dbraw/zinc/39/90/85/944399085.db2.gz ZZZIMCIQKHRSSN-UHFFFAOYSA-N 0 3 252.745 1.982 20 10 CDCDHN OCCCCN1CCCc2cc(O)c(O)cc2C1 ZINC001236100386 944405108 /nfs/dbraw/zinc/40/51/08/944405108.db2.gz GOLFFLKUBZUDNV-UHFFFAOYSA-N 0 3 251.326 1.619 20 10 CDCDHN COc1ccc(N2CCN(CCCCO)CC2)c(C)c1 ZINC001236366434 944484241 /nfs/dbraw/zinc/48/42/41/944484241.db2.gz BYXLFZZVSBOZBZ-UHFFFAOYSA-N 0 3 278.396 1.898 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236806932 944573318 /nfs/dbraw/zinc/57/33/18/944573318.db2.gz CWGUNEBZRYXCFI-CVEARBPZSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236806932 944573322 /nfs/dbraw/zinc/57/33/22/944573322.db2.gz CWGUNEBZRYXCFI-CVEARBPZSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(CN2CC[C@H]3OCC[C@H]32)c(O)c(OC)c1 ZINC001237668372 944913359 /nfs/dbraw/zinc/91/33/59/944913359.db2.gz DBNIGCLPXALONF-CHWSQXEVSA-N 0 3 279.336 1.773 20 10 CDCDHN O=c1cc[nH]cc1CN1CCc2cccc(O)c2C1 ZINC001237847026 944981878 /nfs/dbraw/zinc/98/18/78/944981878.db2.gz DRUPXAGTCUDKNO-UHFFFAOYSA-N 0 3 256.305 1.639 20 10 CDCDHN CC[C@@]1(C(=O)OC)C[C@H](NCc2ccc(N)cc2)CN1 ZINC001246168022 948003710 /nfs/dbraw/zinc/00/37/10/948003710.db2.gz CKSDEZZVPVSEEI-ZFWWWQNUSA-N 0 3 277.368 1.042 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001325021963 953685767 /nfs/dbraw/zinc/68/57/67/953685767.db2.gz PHGKGGNBQFQYIB-JKSUJKDBSA-N 0 3 276.380 1.790 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c([O-])c1 ZINC001308984623 956613081 /nfs/dbraw/zinc/61/30/81/956613081.db2.gz KZSAWDDDDGTVQL-HNNXBMFYSA-N 0 3 261.321 1.840 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCOC3=O)C2)c([O-])c1 ZINC001308984623 956613088 /nfs/dbraw/zinc/61/30/88/956613088.db2.gz KZSAWDDDDGTVQL-HNNXBMFYSA-N 0 3 261.321 1.840 20 10 CDCDHN CC1(C)C[NH2+]C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001341124391 963283359 /nfs/dbraw/zinc/28/33/59/963283359.db2.gz PIAJREWCUVQPSS-JTQLQIEISA-N 0 3 266.316 1.393 20 10 CDCDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N)cc1 ZINC001345159134 964610291 /nfs/dbraw/zinc/61/02/91/964610291.db2.gz CDTJLHVWWARZEL-CYBMUJFWSA-N 0 3 280.393 1.749 20 10 CDCDHN CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001348360597 965951653 /nfs/dbraw/zinc/95/16/53/965951653.db2.gz NKBMDAGUZQGFTJ-LLVKDONJSA-N 0 3 280.368 1.948 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1cc(Cl)ccc1O ZINC001573974403 1170846746 /nfs/dbraw/zinc/84/67/46/1170846746.db2.gz GJLUETSMVLYQBC-JTQLQIEISA-N 0 3 272.732 1.026 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NCc1ccco1 ZINC000111399120 365605478 /nfs/dbraw/zinc/60/54/78/365605478.db2.gz LAPXBNHPZAKGDB-LLVKDONJSA-N 0 3 274.320 1.780 20 10 CDCDHN Cn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1[O-])CC2 ZINC000179585382 357213965 /nfs/dbraw/zinc/21/39/65/357213965.db2.gz DSHPOUDHSPTZKH-UHFFFAOYSA-N 0 3 271.320 1.044 20 10 CDCDHN Cn1nc2c(cc1=O)C[N@H+](Cc1ccccc1[O-])CC2 ZINC000179585382 357213969 /nfs/dbraw/zinc/21/39/69/357213969.db2.gz DSHPOUDHSPTZKH-UHFFFAOYSA-N 0 3 271.320 1.044 20 10 CDCDHN Oc1ccccc1CN1CCOC2(CCOCC2)C1 ZINC000179585568 357214661 /nfs/dbraw/zinc/21/46/61/357214661.db2.gz WVONZQXQKMRQRI-UHFFFAOYSA-N 0 3 263.337 1.774 20 10 CDCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295938971 357586242 /nfs/dbraw/zinc/58/62/42/357586242.db2.gz KTITVKIWQDNUMH-GFCCVEGCSA-N 0 3 260.337 1.495 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000083460763 358207279 /nfs/dbraw/zinc/20/72/79/358207279.db2.gz NQBUXEAUJSYXEJ-AWEZNQCLSA-N 0 3 263.385 1.886 20 10 CDCDHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000269442310 364195218 /nfs/dbraw/zinc/19/52/18/364195218.db2.gz GBEUPKKMHJQHLD-LBPRGKRZSA-N 0 3 298.408 1.153 20 10 CDCDHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000269442310 364195224 /nfs/dbraw/zinc/19/52/24/364195224.db2.gz GBEUPKKMHJQHLD-LBPRGKRZSA-N 0 3 298.408 1.153 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272473032 365254069 /nfs/dbraw/zinc/25/40/69/365254069.db2.gz AVFYSPLWLKZZBR-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272473032 365254073 /nfs/dbraw/zinc/25/40/73/365254073.db2.gz AVFYSPLWLKZZBR-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([O-])c1O ZINC000272709641 365360621 /nfs/dbraw/zinc/36/06/21/365360621.db2.gz DLYZLAPFFUBGBS-LBPRGKRZSA-N 0 3 292.379 1.820 20 10 CDCDHN Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c([O-])c1O ZINC000272709641 365360624 /nfs/dbraw/zinc/36/06/24/365360624.db2.gz DLYZLAPFFUBGBS-LBPRGKRZSA-N 0 3 292.379 1.820 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)CCCO)c([O-])c1 ZINC000281679380 367673002 /nfs/dbraw/zinc/67/30/02/367673002.db2.gz FAMCTGJUCBDGCN-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)CCCO)c([O-])c1 ZINC000281679380 367673011 /nfs/dbraw/zinc/67/30/11/367673011.db2.gz FAMCTGJUCBDGCN-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCOCC3)CC1)CC2 ZINC000296575428 371825672 /nfs/dbraw/zinc/82/56/72/371825672.db2.gz VNIRAVSZYZBEGC-CQSZACIVSA-N 0 3 288.391 1.834 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475988 261390152 /nfs/dbraw/zinc/39/01/52/261390152.db2.gz SSTJYTLHXFVYRX-ZDUSSCGKSA-N 0 3 261.369 1.423 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C(C)C)CC2)c1 ZINC000132265131 390895236 /nfs/dbraw/zinc/89/52/36/390895236.db2.gz UMWNBUZXYRNRHP-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000179560756 391210615 /nfs/dbraw/zinc/21/06/15/391210615.db2.gz JYDYSBPDCQFROB-UHFFFAOYSA-N 0 3 298.408 1.248 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000179560756 391210619 /nfs/dbraw/zinc/21/06/19/391210619.db2.gz JYDYSBPDCQFROB-UHFFFAOYSA-N 0 3 298.408 1.248 20 10 CDCDHN Oc1cc2c(cc1CN1CC([C@H]3CCOC3)C1)OCO2 ZINC000376020849 391210967 /nfs/dbraw/zinc/21/09/67/391210967.db2.gz HZFOVRUIWDAXNK-JTQLQIEISA-N 0 3 277.320 1.589 20 10 CDCDHN Cn1cc(N2CCN(Cc3ccccc3O)CC2)cn1 ZINC000179574882 391211822 /nfs/dbraw/zinc/21/18/22/391211822.db2.gz ZCNFZBQJBIZAPO-UHFFFAOYSA-N 0 3 272.352 1.448 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000164756353 391289626 /nfs/dbraw/zinc/28/96/26/391289626.db2.gz QVKRTKZHAAWKGX-GTNSWQLSSA-N 0 3 255.383 1.947 20 10 CDCDHN COc1cc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000195008096 391374461 /nfs/dbraw/zinc/37/44/61/391374461.db2.gz FLIXLCBREGRFPI-YMTOWFKASA-N 0 3 294.351 1.024 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1C ZINC000284250555 391481402 /nfs/dbraw/zinc/48/14/02/391481402.db2.gz FPLDKKFJOUEBHX-HUUCEWRRSA-N 0 3 292.423 1.896 20 10 CDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289550429 391616072 /nfs/dbraw/zinc/61/60/72/391616072.db2.gz IMSLIXNICDAQQZ-IUODEOHRSA-N 0 3 294.370 1.826 20 10 CDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289550429 391616077 /nfs/dbraw/zinc/61/60/77/391616077.db2.gz IMSLIXNICDAQQZ-IUODEOHRSA-N 0 3 294.370 1.826 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCOC1)OCO2 ZINC000042880188 174901380 /nfs/dbraw/zinc/90/13/80/174901380.db2.gz GSAJQPUVODTGHB-VIFPVBQESA-N 0 3 251.282 1.247 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000036932450 260052157 /nfs/dbraw/zinc/05/21/57/260052157.db2.gz FHFYXAQPAVLJQC-UHFFFAOYSA-N 0 3 284.363 1.941 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000126403580 260351538 /nfs/dbraw/zinc/35/15/38/260351538.db2.gz SZBZLMFWJGOIAR-LLVKDONJSA-N 0 3 276.336 1.408 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1F ZINC000154992350 261096731 /nfs/dbraw/zinc/09/67/31/261096731.db2.gz OAGOCKXYPOGORI-LBPRGKRZSA-N 0 3 279.359 1.589 20 10 CDCDHN CN(C)c1ccc(CN2CCC(CC(N)=O)CC2)cc1F ZINC000159760073 261193261 /nfs/dbraw/zinc/19/32/61/261193261.db2.gz JKZCSGBXMOLORB-UHFFFAOYSA-N 0 3 293.386 1.979 20 10 CDCDHN CCC[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000161229571 261241383 /nfs/dbraw/zinc/24/13/83/261241383.db2.gz UNKJZSMIPJKYPW-UHFFFAOYSA-N 0 3 253.298 1.325 20 10 CDCDHN CCC[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000161229571 261241385 /nfs/dbraw/zinc/24/13/85/261241385.db2.gz UNKJZSMIPJKYPW-UHFFFAOYSA-N 0 3 253.298 1.325 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186223690 262312304 /nfs/dbraw/zinc/31/23/04/262312304.db2.gz YBNBQFVSWBKSKZ-JTQLQIEISA-N 0 3 280.368 1.824 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000378555491 329054633 /nfs/dbraw/zinc/05/46/33/329054633.db2.gz DFKXDSCPCCZQRU-NEPJUHHUSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000378555491 329054635 /nfs/dbraw/zinc/05/46/35/329054635.db2.gz DFKXDSCPCCZQRU-NEPJUHHUSA-N 0 3 290.363 1.763 20 10 CDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219065996 333141014 /nfs/dbraw/zinc/14/10/14/333141014.db2.gz QBGWZUNKOCMBLQ-ISVAXAHUSA-N 0 3 285.365 1.323 20 10 CDCDHN COc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC000134588906 334096007 /nfs/dbraw/zinc/09/60/07/334096007.db2.gz COLWOLRDOPVFDY-NSHDSACASA-N 0 3 278.352 1.501 20 10 CDCDHN CCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000036780924 519880946 /nfs/dbraw/zinc/88/09/46/519880946.db2.gz ZCZVYHYHEPBTRG-SNVBAGLBSA-N 0 3 266.341 1.578 20 10 CDCDHN CN(C)c1ccc(CN[C@@]2(CCO)CCOC2)cc1F ZINC000278518614 522211075 /nfs/dbraw/zinc/21/10/75/522211075.db2.gz RJUAZKUGSMAIPR-HNNXBMFYSA-N 0 3 282.359 1.523 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000096832849 522475098 /nfs/dbraw/zinc/47/50/98/522475098.db2.gz RYXPQZRSGWDTEX-SNVBAGLBSA-N 0 3 265.309 1.589 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000096832849 522475108 /nfs/dbraw/zinc/47/51/08/522475108.db2.gz RYXPQZRSGWDTEX-SNVBAGLBSA-N 0 3 265.309 1.589 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000275288805 522831335 /nfs/dbraw/zinc/83/13/35/522831335.db2.gz OHDYKBUWWKQPHB-UHFFFAOYSA-N 0 3 279.292 1.164 20 10 CDCDHN Cc1cc(C)c([C@@H](C)NCc2cnnn2C)c(O)c1 ZINC000294364371 524331004 /nfs/dbraw/zinc/33/10/04/524331004.db2.gz QNJLTNQHMIXHOC-LLVKDONJSA-N 0 3 260.341 1.988 20 10 CDCDHN Cc1cccc(CN2CCC[C@](F)(CO)C2)c1O ZINC000289962611 524395820 /nfs/dbraw/zinc/39/58/20/524395820.db2.gz YOLQSJUACIZOJA-CQSZACIVSA-N 0 3 253.317 1.997 20 10 CDCDHN Oc1cc2c(cc1CN1CC[C@H](n3cccn3)C1)OCO2 ZINC000290863781 526336497 /nfs/dbraw/zinc/33/64/97/526336497.db2.gz ANXXLTIJWUNFIY-LBPRGKRZSA-N 0 3 287.319 1.764 20 10 CDCDHN CCOc1ccc(C[NH2+]CCCn2cncn2)c([O-])c1 ZINC000728783016 574645851 /nfs/dbraw/zinc/64/58/51/574645851.db2.gz XIZFDAKIWJWZIR-UHFFFAOYSA-N 0 3 276.340 1.562 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000771928177 575637814 /nfs/dbraw/zinc/63/78/14/575637814.db2.gz QUAMRBMHPFPTPE-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000771928177 575637816 /nfs/dbraw/zinc/63/78/16/575637816.db2.gz QUAMRBMHPFPTPE-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)C2CC2)c([O-])c1 ZINC000734163206 575161043 /nfs/dbraw/zinc/16/10/43/575161043.db2.gz BZZQKJYLWXBFCU-ZDUSSCGKSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc(C[NH+](CCOC)CCOC)c([O-])c1 ZINC000768142028 576260568 /nfs/dbraw/zinc/26/05/68/576260568.db2.gz BXDMHUHPCMMBFS-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768443232 576283426 /nfs/dbraw/zinc/28/34/26/576283426.db2.gz RVCIXAHLFAAKAX-HNNXBMFYSA-N 0 3 293.363 1.819 20 10 CDCDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464732 576287165 /nfs/dbraw/zinc/28/71/65/576287165.db2.gz SWWZERAQXNWLFI-GWCFXTLKSA-N 0 3 265.309 1.039 20 10 CDCDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464732 576287166 /nfs/dbraw/zinc/28/71/66/576287166.db2.gz SWWZERAQXNWLFI-GWCFXTLKSA-N 0 3 265.309 1.039 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000769245726 576339757 /nfs/dbraw/zinc/33/97/57/576339757.db2.gz VHSLCPNKZCFGGX-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000769245726 576339758 /nfs/dbraw/zinc/33/97/58/576339758.db2.gz VHSLCPNKZCFGGX-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1cccc(CN(C)C2CC(O)C2)c1O ZINC000761222201 576561359 /nfs/dbraw/zinc/56/13/59/576561359.db2.gz IWDYUAUNSALFGI-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1cccc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761222201 576561360 /nfs/dbraw/zinc/56/13/60/576561360.db2.gz IWDYUAUNSALFGI-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761222201 576561361 /nfs/dbraw/zinc/56/13/61/576561361.db2.gz IWDYUAUNSALFGI-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000742375019 576598503 /nfs/dbraw/zinc/59/85/03/576598503.db2.gz KUHPGLPMUBVXQN-VXGBXAGGSA-N 0 3 264.369 1.973 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c([O-])c1 ZINC000756492020 576992006 /nfs/dbraw/zinc/99/20/06/576992006.db2.gz YTTZQGOAZDFPDQ-CYBMUJFWSA-N 0 3 291.395 1.125 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000756608268 576997308 /nfs/dbraw/zinc/99/73/08/576997308.db2.gz AATSQFSKTIZDRU-NHYWBVRUSA-N 0 3 275.352 1.818 20 10 CDCDHN CCOc1ccc(CN(C)CCNC(=O)N(C)C)c(O)c1 ZINC000757864464 577058659 /nfs/dbraw/zinc/05/86/59/577058659.db2.gz HFCPKICIJTYOGZ-UHFFFAOYSA-N 0 3 295.383 1.494 20 10 CDCDHN COCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253419 617391601 /nfs/dbraw/zinc/39/16/01/617391601.db2.gz SJNJJIPJLBEXGB-HNNXBMFYSA-N 0 3 293.411 1.508 20 10 CDCDHN COC(=O)N1CC(C)(NCc2cc3c(cc2O)OCO3)C1 ZINC000894542886 618952406 /nfs/dbraw/zinc/95/24/06/618952406.db2.gz RBZIYNFOYFQWLD-UHFFFAOYSA-N 0 3 294.307 1.051 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC1(C)C ZINC000895322507 619556775 /nfs/dbraw/zinc/55/67/75/619556775.db2.gz UEDGSLQTEHNVHT-AWEZNQCLSA-N 0 3 275.396 1.675 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCO[C@H]1CCOC1)CC2 ZINC000927082686 621690772 /nfs/dbraw/zinc/69/07/72/621690772.db2.gz HIVRVQIRHPKLMH-QWHCGFSZSA-N 0 3 263.337 1.775 20 10 CDCDHN CN(C)c1ccc(CNC[C@@](C)(O)C(F)F)cc1F ZINC000905077533 626392629 /nfs/dbraw/zinc/39/26/29/626392629.db2.gz ZSEWPYRDAPJZSE-CYBMUJFWSA-N 0 3 276.302 1.997 20 10 CDCDHN Cc1cc(CN[C@H]2C(=O)NCC2(C)C)ccc1N(C)C ZINC000925433737 632147318 /nfs/dbraw/zinc/14/73/18/632147318.db2.gz FYIUWTHVUPOZNO-AWEZNQCLSA-N 0 3 275.396 1.675 20 10 CDCDHN CS(=O)(=O)CCCNCc1ccc2c(c1)CCCO2 ZINC000921686261 633175794 /nfs/dbraw/zinc/17/57/94/633175794.db2.gz PVVJMZYLROBHJK-UHFFFAOYSA-N 0 3 283.393 1.536 20 10 CDCDHN COC[C@@](C)(CO)NCc1ccc2c(c1)CCCO2 ZINC000921818502 633319217 /nfs/dbraw/zinc/31/92/17/633319217.db2.gz ORYSVIRTIQTFLC-OAHLLOKOSA-N 0 3 265.353 1.499 20 10 CDCDHN COc1cccc(N)c1N[C@H](C)[C@H]1CNCCO1 ZINC001170570836 1162956651 /nfs/dbraw/zinc/95/66/51/1162956651.db2.gz LNOCXNRIHPIUEK-BXKDBHETSA-N 0 3 251.330 1.066 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876798864 726209243 /nfs/dbraw/zinc/20/92/43/726209243.db2.gz QUGQFZQRQRHFEU-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876798864 726209245 /nfs/dbraw/zinc/20/92/45/726209245.db2.gz QUGQFZQRQRHFEU-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CCCN(C)CC(=O)NCc1ccc(OC)cc1O ZINC000794388653 726229252 /nfs/dbraw/zinc/22/92/52/726229252.db2.gz ZANGOEBQSZIRKW-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CC[C@@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981146 726209222 /nfs/dbraw/zinc/20/92/22/726209222.db2.gz ZMBZMQCLSDIOMD-DTWKUNHWSA-N 0 3 253.302 1.688 20 10 CDCDHN CCN1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491767 726225904 /nfs/dbraw/zinc/22/59/04/726225904.db2.gz LIIFRTYDBGIVRF-MRVPVSSYSA-N 0 3 268.288 1.061 20 10 CDCDHN CCOCCN1CCN(Cc2c(C)cccc2O)CC1 ZINC000876565541 726358443 /nfs/dbraw/zinc/35/84/43/726358443.db2.gz XRGOXNICUQMFLG-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834783260 726810192 /nfs/dbraw/zinc/81/01/92/726810192.db2.gz DABCKOVRADSIDL-KGLIPLIRSA-N 0 3 295.379 1.383 20 10 CDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1C ZINC000775984364 726811520 /nfs/dbraw/zinc/81/15/20/726811520.db2.gz FUSZPIQYURAGBF-MNOVXSKESA-N 0 3 278.352 1.645 20 10 CDCDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825814 726817847 /nfs/dbraw/zinc/81/78/47/726817847.db2.gz GZQBENCRHLQLMF-CQSZACIVSA-N 0 3 263.385 1.742 20 10 CDCDHN C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832810458 726928086 /nfs/dbraw/zinc/92/80/86/726928086.db2.gz CZPSFTKOFYJVIM-ZDUSSCGKSA-N 0 3 266.366 1.622 20 10 CDCDHN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832810458 726928090 /nfs/dbraw/zinc/92/80/90/726928090.db2.gz CZPSFTKOFYJVIM-ZDUSSCGKSA-N 0 3 266.366 1.622 20 10 CDCDHN CN1CC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832810458 726928094 /nfs/dbraw/zinc/92/80/94/726928094.db2.gz CZPSFTKOFYJVIM-ZDUSSCGKSA-N 0 3 266.366 1.622 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000876541515 726931653 /nfs/dbraw/zinc/93/16/53/726931653.db2.gz FWHYUVUZNCHGII-HNNXBMFYSA-N 0 3 290.407 1.997 20 10 CDCDHN CCn1nccc1CNCc1cc(OC)c(OC)cc1O ZINC000827956788 726992302 /nfs/dbraw/zinc/99/23/02/726992302.db2.gz QTJJHQISCAQHJE-UHFFFAOYSA-N 0 3 291.351 1.916 20 10 CDCDHN Cc1noc(C2CN(Cc3ccc(C)cc3O)C2)n1 ZINC000877580334 727269520 /nfs/dbraw/zinc/26/95/20/727269520.db2.gz RCPMEXRXGAUEQT-UHFFFAOYSA-N 0 3 259.309 1.991 20 10 CDCDHN C[C@@H]1[C@@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986192 727317263 /nfs/dbraw/zinc/31/72/63/727317263.db2.gz POSRHYJHQFIUBI-GHMZBOCLSA-N 0 3 278.352 1.645 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1[O-] ZINC000808744431 727323292 /nfs/dbraw/zinc/32/32/92/727323292.db2.gz ZVKKISOVIDIHCG-GFCCVEGCSA-N 0 3 263.341 1.458 20 10 CDCDHN COc1cccc(O)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000812775154 727392429 /nfs/dbraw/zinc/39/24/29/727392429.db2.gz HNNZGSKMDGGCTH-SNVBAGLBSA-N 0 3 287.306 1.850 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817280261 727819316 /nfs/dbraw/zinc/81/93/16/727819316.db2.gz BDLJKYOEIGOYOL-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886524889 727848566 /nfs/dbraw/zinc/84/85/66/727848566.db2.gz STLUZRJZKQLECJ-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN CCOc1ccc(O)c(CN2CC[C@H](NC(C)=O)C2)c1 ZINC000817412867 727895448 /nfs/dbraw/zinc/89/54/48/727895448.db2.gz PUYNDOGADBJTDK-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000824701999 727910338 /nfs/dbraw/zinc/91/03/38/727910338.db2.gz GCTHBYBXNGEXDD-NEPJUHHUSA-N 0 3 267.300 1.963 20 10 CDCDHN Cc1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000877397469 728214396 /nfs/dbraw/zinc/21/43/96/728214396.db2.gz IAWXIXGWTXTILT-OAHLLOKOSA-N 0 3 263.337 1.692 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000794815403 728260773 /nfs/dbraw/zinc/26/07/73/728260773.db2.gz KKNJLSHHRQGPBH-DZGCQCFKSA-N 0 3 265.353 1.893 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000790667419 728297242 /nfs/dbraw/zinc/29/72/42/728297242.db2.gz AEPYKXNHMNKAQI-LLVKDONJSA-N 0 3 276.336 1.312 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000790667419 728297247 /nfs/dbraw/zinc/29/72/47/728297247.db2.gz AEPYKXNHMNKAQI-LLVKDONJSA-N 0 3 276.336 1.312 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCOC[C@H]2C)c([O-])c1 ZINC000877150242 728328101 /nfs/dbraw/zinc/32/81/01/728328101.db2.gz MVBVGBPWWLZQQH-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN C[C@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986194 728355012 /nfs/dbraw/zinc/35/50/12/728355012.db2.gz POSRHYJHQFIUBI-QWRGUYRKSA-N 0 3 278.352 1.645 20 10 CDCDHN CC[C@H]([NH2+]CCN1CCNC1=O)c1ccc(C)cc1[O-] ZINC000886745409 728372713 /nfs/dbraw/zinc/37/27/13/728372713.db2.gz WIXDJPMGJGOJFP-ZDUSSCGKSA-N 0 3 277.368 1.767 20 10 CDCDHN CCCOc1ccc(CN[C@H](CO)COC)cc1C ZINC000873117740 1165510939 /nfs/dbraw/zinc/51/09/39/1165510939.db2.gz MXAHUJWOPCJQDF-CQSZACIVSA-N 0 3 267.369 1.881 20 10 CDCDHN Cc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000877559134 1166057750 /nfs/dbraw/zinc/05/77/50/1166057750.db2.gz RXCGJNCCRATYJF-HNNXBMFYSA-N 0 3 278.396 1.637 20 10 CDCDHN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000311001028 898614085 /nfs/dbraw/zinc/61/40/85/898614085.db2.gz XROPUHRJIOTBBQ-LLVKDONJSA-N 0 3 271.382 1.866 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(OC)c1 ZINC001141032245 899347592 /nfs/dbraw/zinc/34/75/92/899347592.db2.gz XDVUJNGSTKPWKO-MNOVXSKESA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c(OC)c1 ZINC001141032245 899347611 /nfs/dbraw/zinc/34/76/11/899347611.db2.gz XDVUJNGSTKPWKO-MNOVXSKESA-N 0 3 281.352 1.612 20 10 CDCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ccc(O)c(O)c1)C2 ZINC001271832681 906872095 /nfs/dbraw/zinc/87/20/95/906872095.db2.gz BTQPMNJZWOWYPN-OLZOCXBDSA-N 0 3 290.363 1.193 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)C[C@@H]1OC ZINC001138354292 936525043 /nfs/dbraw/zinc/52/50/43/936525043.db2.gz DCJSVYVFUYLJRM-CALCHBBNSA-N 0 3 290.407 1.915 20 10 CDCDHN C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000840878711 936965790 /nfs/dbraw/zinc/96/57/90/936965790.db2.gz JWIAAKBHXSYNNO-JTQLQIEISA-N 0 3 269.366 1.620 20 10 CDCDHN OC/C=C\CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000850357531 927420540 /nfs/dbraw/zinc/42/05/40/927420540.db2.gz MNWNTBUXPVNZOR-UPHRSURJSA-N 0 3 280.343 1.300 20 10 CDCDHN CN(Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1O ZINC000109771155 927521062 /nfs/dbraw/zinc/52/10/62/927521062.db2.gz GZXYPCRLKOOQOD-UHFFFAOYSA-N 0 3 284.319 1.360 20 10 CDCDHN C[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000109771155 927521075 /nfs/dbraw/zinc/52/10/75/927521075.db2.gz GZXYPCRLKOOQOD-UHFFFAOYSA-N 0 3 284.319 1.360 20 10 CDCDHN C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000109771155 927521092 /nfs/dbraw/zinc/52/10/92/927521092.db2.gz GZXYPCRLKOOQOD-UHFFFAOYSA-N 0 3 284.319 1.360 20 10 CDCDHN C[C@H](CNCc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000697579506 937284082 /nfs/dbraw/zinc/28/40/82/937284082.db2.gz LGJOCBUFXTYRRL-LLVKDONJSA-N 0 3 270.398 1.275 20 10 CDCDHN Oc1ccc(CN2CCN(CC3CC3)CC2)cc1O ZINC001203879717 939710774 /nfs/dbraw/zinc/71/07/74/939710774.db2.gz ZDJGQJYLOKIOKV-UHFFFAOYSA-N 0 3 262.353 1.625 20 10 CDCDHN Oc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001204274998 939749998 /nfs/dbraw/zinc/74/99/98/939749998.db2.gz KRMZJASKHKTFFX-HNNXBMFYSA-N 0 3 292.379 1.394 20 10 CDCDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)cc(O)c1O ZINC001204347510 939759644 /nfs/dbraw/zinc/75/96/44/939759644.db2.gz UWOQFQPWPOTLFX-WDEREUQCSA-N 0 3 280.368 1.631 20 10 CDCDHN CC1(C[NH3+])CN(Cc2c([O-])cccc2Br)C1 ZINC001206722868 940082145 /nfs/dbraw/zinc/08/21/45/940082145.db2.gz HPILMCPWUCEJOS-UHFFFAOYSA-N 0 3 285.185 1.935 20 10 CDCDHN [NH3+]Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001219353023 941335157 /nfs/dbraw/zinc/33/51/57/941335157.db2.gz LZYYSBHSQYBXFJ-UHFFFAOYSA-N 0 3 274.276 1.514 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192796 942156238 /nfs/dbraw/zinc/15/62/38/942156238.db2.gz UAQVMLAUSNNXGW-IAQYHMDHSA-N 0 3 276.336 1.008 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192796 942156242 /nfs/dbraw/zinc/15/62/42/942156242.db2.gz UAQVMLAUSNNXGW-IAQYHMDHSA-N 0 3 276.336 1.008 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231633901 942949544 /nfs/dbraw/zinc/94/95/44/942949544.db2.gz CNCNNQCRQPEDQX-SNVBAGLBSA-N 0 3 295.335 1.491 20 10 CDCDHN Nc1ccc(CN2CCc3cccc(O)c3C2)cn1 ZINC001232368893 943246043 /nfs/dbraw/zinc/24/60/43/943246043.db2.gz GSRPEZMYWGFPSQ-UHFFFAOYSA-N 0 3 255.321 1.928 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000385316833 944072299 /nfs/dbraw/zinc/07/22/99/944072299.db2.gz GPVVXLUGEHPUCD-ZWNOBZJWSA-N 0 3 251.326 1.915 20 10 CDCDHN Cc1cc(CN2CC[C@H]([NH3+])C2)c([O-])cc1Br ZINC001236171807 944421790 /nfs/dbraw/zinc/42/17/90/944421790.db2.gz DFTMWXPSDAIGID-JTQLQIEISA-N 0 3 285.185 1.996 20 10 CDCDHN CN1CCN(c2ccc(CN3CC[C@@H](O)C3)c(F)c2)CC1 ZINC001236931250 944618561 /nfs/dbraw/zinc/61/85/61/944618561.db2.gz IBIWOVVKVPGSHQ-OAHLLOKOSA-N 0 3 293.386 1.144 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046155 944646747 /nfs/dbraw/zinc/64/67/47/944646747.db2.gz QVTNNNDISAVHBV-UKRRQHHQSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046155 944646751 /nfs/dbraw/zinc/64/67/51/944646751.db2.gz QVTNNNDISAVHBV-UKRRQHHQSA-N 0 3 265.353 1.301 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237485356 944811389 /nfs/dbraw/zinc/81/13/89/944811389.db2.gz OTWKHGINUWDBLS-GXTWGEPZSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237485356 944811392 /nfs/dbraw/zinc/81/13/92/944811392.db2.gz OTWKHGINUWDBLS-GXTWGEPZSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cccc(O)c1CN1CCc2c(cnn2C)C1 ZINC001237492075 944814046 /nfs/dbraw/zinc/81/40/46/944814046.db2.gz OFBAGWLSEREBTN-UHFFFAOYSA-N 0 3 257.337 1.992 20 10 CDCDHN COc1cc(CN2CC[C@H](O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237675655 944917769 /nfs/dbraw/zinc/91/77/69/944917769.db2.gz CIXTVKRARCLKLX-JQWIXIFHSA-N 0 3 281.352 1.755 20 10 CDCDHN O=C1C[C@@H]2CC([NH2+]Cc3cccc(O)c3[O-])C[C@H]2C1 ZINC001254929886 947660159 /nfs/dbraw/zinc/66/01/59/947660159.db2.gz ZYNHDODUAYGXDH-QWRGUYRKSA-N 0 3 261.321 1.945 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CN1 ZINC001246862557 948486966 /nfs/dbraw/zinc/48/69/66/948486966.db2.gz LFLJVWCAJRCRJA-STQMWFEESA-N 0 3 278.352 1.118 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CN1 ZINC001246862557 948486969 /nfs/dbraw/zinc/48/69/69/948486969.db2.gz LFLJVWCAJRCRJA-STQMWFEESA-N 0 3 278.352 1.118 20 10 CDCDHN O=CN1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001328160327 955209829 /nfs/dbraw/zinc/20/98/29/955209829.db2.gz OTHQTAVUWWEIDI-UHFFFAOYSA-N 0 3 287.407 1.951 20 10 CDCDHN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CN2CCC1CC2 ZINC001339142815 962200356 /nfs/dbraw/zinc/20/03/56/962200356.db2.gz VAHFESCKZAXVLF-QDOCKXBDSA-N 0 3 288.347 1.321 20 10 CDCDHN C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265158 994570992 /nfs/dbraw/zinc/57/09/92/994570992.db2.gz QJUFFIAEPOCEMI-MNOVXSKESA-N 0 3 278.352 1.741 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)CNCC1CC1 ZINC000178863319 342532791 /nfs/dbraw/zinc/53/27/91/342532791.db2.gz VCRIXTFYXKIEKU-UHFFFAOYSA-N 0 3 289.379 1.478 20 10 CDCDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875393 539052898 /nfs/dbraw/zinc/05/28/98/539052898.db2.gz ISQXFGSMGPHLMU-WBMJQRKESA-N 0 3 288.395 1.870 20 10 CDCDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000038013538 356953177 /nfs/dbraw/zinc/95/31/77/356953177.db2.gz OVCIJDCZRYOHNG-NSHDSACASA-N 0 3 250.342 1.787 20 10 CDCDHN O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1[O-] ZINC000192984708 358254330 /nfs/dbraw/zinc/25/43/30/358254330.db2.gz FXYMCYRORFQOAT-JTQLQIEISA-N 0 3 276.336 1.312 20 10 CDCDHN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1[O-] ZINC000192984708 358254332 /nfs/dbraw/zinc/25/43/32/358254332.db2.gz FXYMCYRORFQOAT-JTQLQIEISA-N 0 3 276.336 1.312 20 10 CDCDHN C[N@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000267985030 363943635 /nfs/dbraw/zinc/94/36/35/363943635.db2.gz YXMLDYZYPVDUDQ-UHFFFAOYSA-N 0 3 251.326 1.977 20 10 CDCDHN C[N@@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000267985030 363943644 /nfs/dbraw/zinc/94/36/44/363943644.db2.gz YXMLDYZYPVDUDQ-UHFFFAOYSA-N 0 3 251.326 1.977 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c1 ZINC000271377511 364982132 /nfs/dbraw/zinc/98/21/32/364982132.db2.gz RBOIQEVTBPTTIP-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c1 ZINC000271377511 364982138 /nfs/dbraw/zinc/98/21/38/364982138.db2.gz RBOIQEVTBPTTIP-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN CCCCN(CC(=O)NC(=O)NC)Cc1ccccc1O ZINC000282469221 367900717 /nfs/dbraw/zinc/90/07/17/367900717.db2.gz NQUVTAVQPXMUEZ-UHFFFAOYSA-N 0 3 293.367 1.450 20 10 CDCDHN CCCC[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000282554198 367940058 /nfs/dbraw/zinc/94/00/58/367940058.db2.gz XOJCZNGFLJUWGO-UHFFFAOYSA-N 0 3 293.367 1.579 20 10 CDCDHN CCCC[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000282554198 367940062 /nfs/dbraw/zinc/94/00/62/367940062.db2.gz XOJCZNGFLJUWGO-UHFFFAOYSA-N 0 3 293.367 1.579 20 10 CDCDHN CO[C@@H](C)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000182022188 391230130 /nfs/dbraw/zinc/23/01/30/391230130.db2.gz OOXMELGGLSOLJJ-AWEZNQCLSA-N 0 3 278.396 1.990 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(O)c1O ZINC000182504461 391236517 /nfs/dbraw/zinc/23/65/17/391236517.db2.gz WOYHNPZVSYDNMF-LLVKDONJSA-N 0 3 278.352 1.572 20 10 CDCDHN COC[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000179439264 391205612 /nfs/dbraw/zinc/20/56/12/391205612.db2.gz JBXZOCDOHMEUHY-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN COC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000179439264 391205614 /nfs/dbraw/zinc/20/56/14/391205614.db2.gz JBXZOCDOHMEUHY-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN COC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000179439264 391205616 /nfs/dbraw/zinc/20/56/16/391205616.db2.gz JBXZOCDOHMEUHY-SNVBAGLBSA-N 0 3 269.341 1.876 20 10 CDCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183249751 391258021 /nfs/dbraw/zinc/25/80/21/391258021.db2.gz DNEXAOYXCXECHT-GFCCVEGCSA-N 0 3 280.343 1.879 20 10 CDCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183249751 391258024 /nfs/dbraw/zinc/25/80/24/391258024.db2.gz DNEXAOYXCXECHT-GFCCVEGCSA-N 0 3 280.343 1.879 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](CCO)C2CCOCC2)c1 ZINC000275687602 391350680 /nfs/dbraw/zinc/35/06/80/391350680.db2.gz AMFQJTAYTUQDHP-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](CCO)C2CCOCC2)c1 ZINC000275687602 391350684 /nfs/dbraw/zinc/35/06/84/391350684.db2.gz AMFQJTAYTUQDHP-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN Cc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O ZINC000124814152 391403689 /nfs/dbraw/zinc/40/36/89/391403689.db2.gz JTYBAWOEVHQWCD-JTQLQIEISA-N 0 3 257.355 1.223 20 10 CDCDHN CCOc1cccc(C[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000037751523 173674656 /nfs/dbraw/zinc/67/46/56/173674656.db2.gz OEFAAFDNEBACBM-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000182321782 261934170 /nfs/dbraw/zinc/93/41/70/261934170.db2.gz BVMKQUQGTAFLCZ-LLVKDONJSA-N 0 3 294.351 1.894 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186510997 262096488 /nfs/dbraw/zinc/09/64/88/262096488.db2.gz NCJAQSSMIATUNA-NSHDSACASA-N 0 3 288.351 1.504 20 10 CDCDHN CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000187067592 262378225 /nfs/dbraw/zinc/37/82/25/262378225.db2.gz PCNSHXFQKHPTLZ-SNVBAGLBSA-N 0 3 266.341 1.558 20 10 CDCDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000187067592 262378226 /nfs/dbraw/zinc/37/82/26/262378226.db2.gz PCNSHXFQKHPTLZ-SNVBAGLBSA-N 0 3 266.341 1.558 20 10 CDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000185815337 327846207 /nfs/dbraw/zinc/84/62/07/327846207.db2.gz FJIIKDDFXREEOC-AAOUONPWSA-N 0 3 251.326 1.818 20 10 CDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219056980 329144633 /nfs/dbraw/zinc/14/46/33/329144633.db2.gz ONVOSZUYPBTACD-ZWNOBZJWSA-N 0 3 255.383 1.903 20 10 CDCDHN C[NH+](C)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000126348260 329591601 /nfs/dbraw/zinc/59/16/01/329591601.db2.gz FFCQOJHJIYFZID-UHFFFAOYSA-N 0 3 252.314 1.168 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)c2c1c(F)ccc2[O-] ZINC000530222003 333528711 /nfs/dbraw/zinc/52/87/11/333528711.db2.gz FLKUPMQSUGYZLY-FOGDFJRCSA-N 0 3 280.343 1.658 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@]2(C)CCCCN2)cc1 ZINC000136195763 334149411 /nfs/dbraw/zinc/14/94/11/334149411.db2.gz MNMJTQHHFWMVKO-INIZCTEOSA-N 0 3 275.396 1.901 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278460977 520895409 /nfs/dbraw/zinc/89/54/09/520895409.db2.gz ZVUCBPKWHATXGY-HUUCEWRRSA-N 0 3 264.369 1.070 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000278460523 521653057 /nfs/dbraw/zinc/65/30/57/521653057.db2.gz MMQJMICFDIJKDB-FFKNIBCLSA-N 0 3 295.379 1.981 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000228094670 524431926 /nfs/dbraw/zinc/43/19/26/524431926.db2.gz PQGPFXGZAAQNJY-BXUZGUMPSA-N 0 3 251.326 1.330 20 10 CDCDHN COc1ccc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291375096 524737218 /nfs/dbraw/zinc/73/72/18/524737218.db2.gz ZSLLTRZKZBXIKU-LLVKDONJSA-N 0 3 287.306 1.850 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000290217278 524747376 /nfs/dbraw/zinc/74/73/76/524747376.db2.gz RGKHIZBJFVOCAU-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000290217278 524747387 /nfs/dbraw/zinc/74/73/87/524747387.db2.gz RGKHIZBJFVOCAU-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291605098 525343542 /nfs/dbraw/zinc/34/35/42/525343542.db2.gz QRPLXJCVKXLWPH-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291605098 525343546 /nfs/dbraw/zinc/34/35/46/525343546.db2.gz QRPLXJCVKXLWPH-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000280923890 525402771 /nfs/dbraw/zinc/40/27/71/525402771.db2.gz RHGLFDDILWXPAQ-YNEHKIRRSA-N 0 3 265.353 1.688 20 10 CDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825948 525582273 /nfs/dbraw/zinc/58/22/73/525582273.db2.gz YELVXHLEWOKXMV-ZDUSSCGKSA-N 0 3 281.425 1.449 20 10 CDCDHN CSC[C@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000217857818 525718143 /nfs/dbraw/zinc/71/81/43/525718143.db2.gz BTDNNMWGMDSIFK-CQSZACIVSA-N 0 3 267.394 1.825 20 10 CDCDHN CCCN(CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000727831019 574600666 /nfs/dbraw/zinc/60/06/66/574600666.db2.gz CMVMWXWFMODGLN-UHFFFAOYSA-N 0 3 292.379 1.463 20 10 CDCDHN COCCC[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732283186 575086849 /nfs/dbraw/zinc/08/68/49/575086849.db2.gz RJQPCQPYKRWXRF-UHFFFAOYSA-N 0 3 298.408 1.684 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(OCCO)CC2)c([O-])c1 ZINC000769537437 575357608 /nfs/dbraw/zinc/35/76/08/575357608.db2.gz KICHVJOEZPEOEF-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCN(C)c1ccc(CN(CCO)CCCO)cc1 ZINC000773754462 575837866 /nfs/dbraw/zinc/83/78/66/575837866.db2.gz FTPMIBTUHUHMNO-UHFFFAOYSA-N 0 3 266.385 1.319 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000768193269 576263591 /nfs/dbraw/zinc/26/35/91/576263591.db2.gz ZUYGEUQQGHHCAZ-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN COC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768442024 576283467 /nfs/dbraw/zinc/28/34/67/576283467.db2.gz NRGZRUMROQBEEP-AWEZNQCLSA-N 0 3 279.336 1.429 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000744449120 576681338 /nfs/dbraw/zinc/68/13/38/576681338.db2.gz AQCUFXIKNBTRRT-LBPRGKRZSA-N 0 3 264.369 1.832 20 10 CDCDHN CN(C)CCNC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685548 576789115 /nfs/dbraw/zinc/78/91/15/576789115.db2.gz UFMUARLZRMFKJQ-UHFFFAOYSA-N 0 3 298.431 1.417 20 10 CDCDHN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000748243306 576902697 /nfs/dbraw/zinc/90/26/97/576902697.db2.gz XNRSLCYQDINWHW-OAHLLOKOSA-N 0 3 295.335 1.942 20 10 CDCDHN CO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254957 617391578 /nfs/dbraw/zinc/39/15/78/617391578.db2.gz KUMTWZRNRZJUSZ-WFASDCNBSA-N 0 3 293.411 1.506 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1cc(C)cc(OC)c1O ZINC000894969747 619167079 /nfs/dbraw/zinc/16/70/79/619167079.db2.gz KBIHAMWCPGFAAW-UHFFFAOYSA-N 0 3 280.368 1.714 20 10 CDCDHN [O-]c1ccc(Br)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841034506 621042271 /nfs/dbraw/zinc/04/22/71/621042271.db2.gz DQSFCOHUNVMXGT-LLVKDONJSA-N 0 3 285.185 1.996 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000897683567 621071560 /nfs/dbraw/zinc/07/15/60/621071560.db2.gz DVPJXNFIGTUVAH-LRDDRELGSA-N 0 3 294.370 1.475 20 10 CDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)C1CCC1 ZINC000907275020 627578904 /nfs/dbraw/zinc/57/89/04/627578904.db2.gz VCBBXKLWWDBTSE-NSHDSACASA-N 0 3 292.379 1.629 20 10 CDCDHN COC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876879146 1165932640 /nfs/dbraw/zinc/93/26/40/1165932640.db2.gz HLYAJSCQVCFYIA-UHFFFAOYSA-N 0 3 251.326 1.989 20 10 CDCDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000323526067 1186804900 /nfs/dbraw/zinc/80/49/00/1186804900.db2.gz JBQDXXNVYSHKLQ-LSDHHAIUSA-N 0 3 262.353 1.136 20 10 CDCDHN CCN1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000391492842 1187277627 /nfs/dbraw/zinc/27/76/27/1187277627.db2.gz QHCIZFWDDKAHAZ-HNNXBMFYSA-N 0 3 287.407 1.997 20 10 CDCDHN CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648708 728775533 /nfs/dbraw/zinc/77/55/33/728775533.db2.gz AFRAJQLTCFSRLB-CHWSQXEVSA-N 0 3 294.395 1.974 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCCNC1=O ZINC000840929657 728919687 /nfs/dbraw/zinc/91/96/87/728919687.db2.gz ULMDZYVXIPCHNS-HNNXBMFYSA-N 0 3 275.396 1.819 20 10 CDCDHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812310815 728927148 /nfs/dbraw/zinc/92/71/48/728927148.db2.gz OYUQFDUTHCGRMX-SECBINFHSA-N 0 3 256.371 1.912 20 10 CDCDHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812310815 728927149 /nfs/dbraw/zinc/92/71/49/728927149.db2.gz OYUQFDUTHCGRMX-SECBINFHSA-N 0 3 256.371 1.912 20 10 CDCDHN Cc1cccc(CN2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000124578706 728382358 /nfs/dbraw/zinc/38/23/58/728382358.db2.gz RQWLCAOKCUBXAQ-CYBMUJFWSA-N 0 3 260.337 1.507 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](NC(C)=O)C2)c1O ZINC000228356347 728431211 /nfs/dbraw/zinc/43/12/11/728431211.db2.gz VDCHGXIYMQENDN-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCN(CC)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000135728653 728486442 /nfs/dbraw/zinc/48/64/42/728486442.db2.gz JPMRXPOWCIBBHP-LLVKDONJSA-N 0 3 280.368 1.920 20 10 CDCDHN CCS(=O)(=O)NCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876991597 728517216 /nfs/dbraw/zinc/51/72/16/728517216.db2.gz RCEUKIRRUAZPKX-UHFFFAOYSA-N 0 3 286.397 1.120 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)OC)c1 ZINC000858577845 729081558 /nfs/dbraw/zinc/08/15/58/729081558.db2.gz FQATZQWKAYKVSX-UWVGGRQHSA-N 0 3 282.340 1.460 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1[N+](=O)[O-] ZINC000818431978 729120350 /nfs/dbraw/zinc/12/03/50/729120350.db2.gz YSYGZHYOEDCJFU-GHMZBOCLSA-N 0 3 295.339 1.669 20 10 CDCDHN CN(CCF)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816640819 729186077 /nfs/dbraw/zinc/18/60/77/729186077.db2.gz XTMGBNXJAUCPPB-UHFFFAOYSA-N 0 3 265.376 1.840 20 10 CDCDHN CCCCNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849024977 729204849 /nfs/dbraw/zinc/20/48/49/729204849.db2.gz HXOGHECKXPYTSA-UHFFFAOYSA-N 0 3 251.330 1.815 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000877489941 729285303 /nfs/dbraw/zinc/28/53/03/729285303.db2.gz RCOSPYBTVVEHNL-SMDDNHRTSA-N 0 3 251.326 1.330 20 10 CDCDHN COC(=O)[C@H](O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876809393 729568999 /nfs/dbraw/zinc/56/89/99/729568999.db2.gz FVAYDNYNOWETRS-OAHLLOKOSA-N 0 3 293.363 1.447 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000232561777 729610185 /nfs/dbraw/zinc/61/01/85/729610185.db2.gz QYIRWYJQIRVONL-GFCCVEGCSA-N 0 3 252.289 1.242 20 10 CDCDHN CCN(C)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 ZINC000886516791 729668142 /nfs/dbraw/zinc/66/81/42/729668142.db2.gz YIJCKEYBEWTMBG-HUUCEWRRSA-N 0 3 264.369 1.334 20 10 CDCDHN [NH3+]C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000841029652 729678704 /nfs/dbraw/zinc/67/87/04/729678704.db2.gz XKVVBNMYTGNZSI-SNVBAGLBSA-N 0 3 285.731 1.781 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000876625873 729708008 /nfs/dbraw/zinc/70/80/08/729708008.db2.gz HYUAYZQDDKYEHJ-HNNXBMFYSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000876625873 729708013 /nfs/dbraw/zinc/70/80/13/729708013.db2.gz HYUAYZQDDKYEHJ-HNNXBMFYSA-N 0 3 290.407 1.997 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)ccc3O)C[C@@H]21 ZINC000814172861 729716517 /nfs/dbraw/zinc/71/65/17/729716517.db2.gz BVXNYTLZHUGASD-IMRBUKKESA-N 0 3 277.320 1.252 20 10 CDCDHN CN1C(=O)CC[C@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000922200308 729720790 /nfs/dbraw/zinc/72/07/90/729720790.db2.gz CAAUGJAFZGUTGI-ZDUSSCGKSA-N 0 3 288.347 1.249 20 10 CDCDHN [NH3+]CC[C@@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000841090908 729965923 /nfs/dbraw/zinc/96/59/23/729965923.db2.gz QFTIONFVDIMVDT-SNVBAGLBSA-N 0 3 266.238 1.901 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)CC2 ZINC000886670232 729978919 /nfs/dbraw/zinc/97/89/19/729978919.db2.gz LDWFDWDVSJEDNB-BFHYXJOUSA-N 0 3 277.364 1.899 20 10 CDCDHN CN1CCCc2cc(CN[C@@H]3C(=O)NCC3(C)C)ccc21 ZINC000924869614 729978931 /nfs/dbraw/zinc/97/89/31/729978931.db2.gz HXHUBYPPZGOXIW-OAHLLOKOSA-N 0 3 287.407 1.683 20 10 CDCDHN CCN1C[C@H](NCc2c(O)cccc2OC)CC1=O ZINC000824887030 729979746 /nfs/dbraw/zinc/97/97/46/729979746.db2.gz ORPHOVQFSFOYNV-SNVBAGLBSA-N 0 3 264.325 1.111 20 10 CDCDHN CCN1C[C@H]([NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000824887030 729979747 /nfs/dbraw/zinc/97/97/47/729979747.db2.gz ORPHOVQFSFOYNV-SNVBAGLBSA-N 0 3 264.325 1.111 20 10 CDCDHN CCc1cccc(CN2CCN(CCO)CC2)c1O ZINC000848877908 729985366 /nfs/dbraw/zinc/98/53/66/729985366.db2.gz WQLXEQAWHCPDHO-UHFFFAOYSA-N 0 3 264.369 1.065 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000806664017 730021662 /nfs/dbraw/zinc/02/16/62/730021662.db2.gz XNQAONSSCGUZFK-PWSUYJOCSA-N 0 3 282.409 1.911 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1[O-] ZINC000843353595 730058240 /nfs/dbraw/zinc/05/82/40/730058240.db2.gz LSBZDDDXXVZQCL-LKFCYVNXSA-N 0 3 280.343 1.903 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000790999737 730302819 /nfs/dbraw/zinc/30/28/19/730302819.db2.gz HXUZLPBVRDRURQ-LLVKDONJSA-N 0 3 279.258 1.804 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCSCC2)c([O-])c1 ZINC000877150322 730326451 /nfs/dbraw/zinc/32/64/51/730326451.db2.gz OQVFGXZXORTNBE-UHFFFAOYSA-N 0 3 266.410 1.839 20 10 CDCDHN C[C@@H](NC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817955780 730391711 /nfs/dbraw/zinc/39/17/11/730391711.db2.gz HRRQLPXZYBTQND-SSDOTTSWSA-N 0 3 271.158 1.777 20 10 CDCDHN CC[C@@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182406404 730396123 /nfs/dbraw/zinc/39/61/23/730396123.db2.gz GHZVKKBBGKSHFN-MNOVXSKESA-N 0 3 280.368 1.966 20 10 CDCDHN CN1CCOc2cc(CN3CCN4CC[C@@H]4C3)ccc21 ZINC001141145673 899785968 /nfs/dbraw/zinc/78/59/68/899785968.db2.gz GAOYSXLXUUETBF-CQSZACIVSA-N 0 3 273.380 1.405 20 10 CDCDHN CC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141155674 899819009 /nfs/dbraw/zinc/81/90/09/899819009.db2.gz FCEUHYUYSUXCGE-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCC2)c1[O-] ZINC000697429169 907675004 /nfs/dbraw/zinc/67/50/04/907675004.db2.gz KNCZWOMNBFYWPV-UHFFFAOYSA-N 0 3 270.760 1.850 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164542570 911369581 /nfs/dbraw/zinc/36/95/81/911369581.db2.gz JIKVSLLZGLIKJL-CYBMUJFWSA-N 0 3 298.408 1.133 20 10 CDCDHN Cc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c([O-])cc1Br ZINC001236289813 914884641 /nfs/dbraw/zinc/88/46/41/914884641.db2.gz IYAWIDHTKWZICG-CMPLNLGQSA-N 0 3 297.196 1.867 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046156 917222862 /nfs/dbraw/zinc/22/28/62/917222862.db2.gz QVTNNNDISAVHBV-ZFWWWQNUSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046156 917222877 /nfs/dbraw/zinc/22/28/77/917222877.db2.gz QVTNNNDISAVHBV-ZFWWWQNUSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(=O)N(C)[C@@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238065790 917782487 /nfs/dbraw/zinc/78/24/87/917782487.db2.gz FHRLNEADBMQAHR-CQSZACIVSA-N 0 3 280.343 1.892 20 10 CDCDHN Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001138468920 936539937 /nfs/dbraw/zinc/53/99/37/936539937.db2.gz HHQXDGAMQJGQPY-UHFFFAOYSA-N 0 3 287.319 1.460 20 10 CDCDHN Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001138468920 936539939 /nfs/dbraw/zinc/53/99/39/936539939.db2.gz HHQXDGAMQJGQPY-UHFFFAOYSA-N 0 3 287.319 1.460 20 10 CDCDHN CN(C)c1ccc(CN(C)C2(CO)CC2)cc1F ZINC000827904245 936613268 /nfs/dbraw/zinc/61/32/68/936613268.db2.gz XUOSWDOFRFEQHB-UHFFFAOYSA-N 0 3 252.333 1.848 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@]3(CCCN3C)C2=O)cc1 ZINC001273526509 920157045 /nfs/dbraw/zinc/15/70/45/920157045.db2.gz GWOHQSYREJZRON-QGZVFWFLSA-N 0 3 287.407 1.949 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H]3CCO[C@@H]3C2)c(OC)c1 ZINC001141029302 936795160 /nfs/dbraw/zinc/79/51/60/936795160.db2.gz OQLPHBKOPIOGPD-ZUZCIYMTSA-N 0 3 279.336 1.630 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(OC)c1 ZINC001141029302 936795162 /nfs/dbraw/zinc/79/51/62/936795162.db2.gz OQLPHBKOPIOGPD-ZUZCIYMTSA-N 0 3 279.336 1.630 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(OC)c1 ZINC001141029302 936795164 /nfs/dbraw/zinc/79/51/64/936795164.db2.gz OQLPHBKOPIOGPD-ZUZCIYMTSA-N 0 3 279.336 1.630 20 10 CDCDHN CN1CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708480098 923177701 /nfs/dbraw/zinc/17/77/01/923177701.db2.gz DHGYLBDGJSBHAL-UHFFFAOYSA-N 0 3 286.322 1.217 20 10 CDCDHN CN(C)C1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140876 936818623 /nfs/dbraw/zinc/81/86/23/936818623.db2.gz QFDGAKQONSOPAN-UHFFFAOYSA-N 0 3 261.369 1.261 20 10 CDCDHN [NH3+]CC[C@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000841090907 936975439 /nfs/dbraw/zinc/97/54/39/936975439.db2.gz QFTIONFVDIMVDT-JTQLQIEISA-N 0 3 266.238 1.901 20 10 CDCDHN C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603382 937284797 /nfs/dbraw/zinc/28/47/97/937284797.db2.gz HVSOZVQCFFEXRG-RYUDHWBXSA-N 0 3 284.425 1.836 20 10 CDCDHN CCNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202557070 930280019 /nfs/dbraw/zinc/28/00/19/930280019.db2.gz MFHGVAKITFAFRU-UHFFFAOYSA-N 0 3 277.368 1.676 20 10 CDCDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001116770499 937470811 /nfs/dbraw/zinc/47/08/11/937470811.db2.gz GCTHBYBXNGEXDD-NWDGAFQWSA-N 0 3 267.300 1.963 20 10 CDCDHN C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846213828 932000532 /nfs/dbraw/zinc/00/05/32/932000532.db2.gz KTRVIHCSPHPOCK-SWLSCSKDSA-N 0 3 265.353 1.974 20 10 CDCDHN CNC(=O)N[C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC001203601564 939695524 /nfs/dbraw/zinc/69/55/24/939695524.db2.gz AKLMCYUJMOPEBS-LBPRGKRZSA-N 0 3 293.367 1.294 20 10 CDCDHN COc1cc(CN2CCC[C@](C)(O)CC2)cc(O)c1O ZINC001204344631 939758619 /nfs/dbraw/zinc/75/86/19/939758619.db2.gz WJOQMLGNQOROLT-HNNXBMFYSA-N 0 3 281.352 1.843 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400271324 940845917 /nfs/dbraw/zinc/84/59/17/940845917.db2.gz MSKFPYVCMZZENV-WDEREUQCSA-N 0 3 284.381 1.077 20 10 CDCDHN Cc1cc(CN2C[C@@H]3OCCN(C)[C@H]3C2)ccc1N(C)C ZINC000815063104 942408295 /nfs/dbraw/zinc/40/82/95/942408295.db2.gz GKPFQLIWJXCKPY-IRXDYDNUSA-N 0 3 289.423 1.576 20 10 CDCDHN NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277442477 942578726 /nfs/dbraw/zinc/57/87/26/942578726.db2.gz WBPYZATUPFJVFF-LBPRGKRZSA-N 0 3 260.337 1.480 20 10 CDCDHN CN(C)C(=O)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485091 942779386 /nfs/dbraw/zinc/77/93/86/942779386.db2.gz XTCFCHPKKZUXGD-LLVKDONJSA-N 0 3 278.327 1.441 20 10 CDCDHN CN(C)C(=O)[C@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277485091 942779389 /nfs/dbraw/zinc/77/93/89/942779389.db2.gz XTCFCHPKKZUXGD-LLVKDONJSA-N 0 3 278.327 1.441 20 10 CDCDHN NC(=O)C1C[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590288 942939272 /nfs/dbraw/zinc/93/92/72/942939272.db2.gz QRYFHLLSTNKXIZ-UHFFFAOYSA-N 0 3 256.305 1.463 20 10 CDCDHN Cc1cc(C)c(CN2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001231846223 943026972 /nfs/dbraw/zinc/02/69/72/943026972.db2.gz IFAFZFBHVLRFMM-CYBMUJFWSA-N 0 3 274.364 1.816 20 10 CDCDHN CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CCC2(C1)OCCO2 ZINC001233015939 943464373 /nfs/dbraw/zinc/46/43/73/943464373.db2.gz JVIMZHSUIONNFS-NSHDSACASA-N 0 3 295.335 1.531 20 10 CDCDHN CCc1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001236790754 944568548 /nfs/dbraw/zinc/56/85/48/944568548.db2.gz XTGNIASCTMGMNJ-CYBMUJFWSA-N 0 3 262.353 1.794 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001236809553 944575778 /nfs/dbraw/zinc/57/57/78/944575778.db2.gz XUCAZZKHZLCRGE-MEBBXXQBSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001236809553 944575781 /nfs/dbraw/zinc/57/57/81/944575781.db2.gz XUCAZZKHZLCRGE-MEBBXXQBSA-N 0 3 265.353 1.912 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001236827887 944584322 /nfs/dbraw/zinc/58/43/22/944584322.db2.gz VZPMMYDTHCQKBM-OAHLLOKOSA-N 0 3 273.332 1.739 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC001236827887 944584326 /nfs/dbraw/zinc/58/43/26/944584326.db2.gz VZPMMYDTHCQKBM-OAHLLOKOSA-N 0 3 273.332 1.739 20 10 CDCDHN COc1cc(CN2CC[C@@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237675658 944916841 /nfs/dbraw/zinc/91/68/41/944916841.db2.gz CIXTVKRARCLKLX-ZYHUDNBSSA-N 0 3 281.352 1.755 20 10 CDCDHN COCCn1ccc2c1ncnc2C1=CCCN(C)C1 ZINC001241565312 946345537 /nfs/dbraw/zinc/34/55/37/946345537.db2.gz JSTVUGNOLVIALG-UHFFFAOYSA-N 0 3 272.352 1.797 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001249178416 949441070 /nfs/dbraw/zinc/44/10/70/949441070.db2.gz RBNJMFMEDMERDF-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001249178416 949441075 /nfs/dbraw/zinc/44/10/75/949441075.db2.gz RBNJMFMEDMERDF-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN CCCNC(=O)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000036780863 356882502 /nfs/dbraw/zinc/88/25/02/356882502.db2.gz PBCXUKJLYXUTKK-GFCCVEGCSA-N 0 3 250.342 1.959 20 10 CDCDHN COc1cc(O)c(CN2CCC(CO)CC2)cc1OC ZINC000179668570 357219089 /nfs/dbraw/zinc/21/90/89/357219089.db2.gz DBLCZIVIIHKKGO-UHFFFAOYSA-N 0 3 281.352 1.614 20 10 CDCDHN CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179998002 357236087 /nfs/dbraw/zinc/23/60/87/357236087.db2.gz ZLDOLMYCMUDLAF-UHFFFAOYSA-N 0 3 280.343 1.974 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1O ZINC000271907405 365005269 /nfs/dbraw/zinc/00/52/69/365005269.db2.gz LUIQTNJOUVZVPH-GXFFZTMASA-N 0 3 281.352 1.612 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1O ZINC000271907405 365005276 /nfs/dbraw/zinc/00/52/76/365005276.db2.gz LUIQTNJOUVZVPH-GXFFZTMASA-N 0 3 281.352 1.612 20 10 CDCDHN CCC[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000170779234 365112429 /nfs/dbraw/zinc/11/24/29/365112429.db2.gz PPLSEPFCPHNTPX-UHFFFAOYSA-N 0 3 291.351 1.156 20 10 CDCDHN CCC[N@@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000170779234 365112438 /nfs/dbraw/zinc/11/24/38/365112438.db2.gz PPLSEPFCPHNTPX-UHFFFAOYSA-N 0 3 291.351 1.156 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000272879870 365429690 /nfs/dbraw/zinc/42/96/90/365429690.db2.gz QJWLOSXRTNEXMX-YGRLFVJLSA-N 0 3 261.325 1.510 20 10 CDCDHN C[C@H](NCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273442919 365496797 /nfs/dbraw/zinc/49/67/97/365496797.db2.gz ZCAZDJLEMHYYOY-JTQLQIEISA-N 0 3 267.329 1.903 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cc(OC)ccc1[O-] ZINC000282822278 368053433 /nfs/dbraw/zinc/05/34/33/368053433.db2.gz UHBXGGPWDLFRMJ-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cc(OC)ccc1[O-] ZINC000282822278 368053440 /nfs/dbraw/zinc/05/34/40/368053440.db2.gz UHBXGGPWDLFRMJ-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530222887 368151633 /nfs/dbraw/zinc/15/16/33/368151633.db2.gz IFRSVMLDUNUISP-CMPLNLGQSA-N 0 3 284.787 1.993 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CCC1(O)CCOCC1 ZINC000285641861 368648601 /nfs/dbraw/zinc/64/86/01/368648601.db2.gz XSJFNWKWIKEDEE-UHFFFAOYSA-N 0 3 251.326 1.413 20 10 CDCDHN CCCOc1ccc(C[NH+]2CC(CC(N)=O)C2)c([O-])c1 ZINC000297537481 372000157 /nfs/dbraw/zinc/00/01/57/372000157.db2.gz ZUGMBXUWZBBKLA-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN CCC(=O)N1CCCN(Cc2cc(OC)ccc2O)CC1 ZINC000373222299 391112174 /nfs/dbraw/zinc/11/21/74/391112174.db2.gz BOGSRRUVQYPQNM-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN CN(C)c1ccc(CNC[C@@]2(O)CCOC2)cc1F ZINC000270034770 391262395 /nfs/dbraw/zinc/26/23/95/391262395.db2.gz YYDKOWNZGLJTFQ-AWEZNQCLSA-N 0 3 268.332 1.133 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183603753 391267130 /nfs/dbraw/zinc/26/71/30/391267130.db2.gz KDDVITJQDGTOOH-MNOVXSKESA-N 0 3 271.382 1.866 20 10 CDCDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)cc1 ZINC000271595510 391297546 /nfs/dbraw/zinc/29/75/46/391297546.db2.gz GXUFQWHRVAXMKL-HNNXBMFYSA-N 0 3 291.439 1.905 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175262 391840885 /nfs/dbraw/zinc/84/08/85/391840885.db2.gz GRQLWPAIVKMYIJ-NWDGAFQWSA-N 0 3 291.347 1.979 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175262 391840888 /nfs/dbraw/zinc/84/08/88/391840888.db2.gz GRQLWPAIVKMYIJ-NWDGAFQWSA-N 0 3 291.347 1.979 20 10 CDCDHN COC[C@H](CNCc1ccc(N(C)C)cc1)OC ZINC000227707556 392043692 /nfs/dbraw/zinc/04/36/92/392043692.db2.gz YPVWJZCQTALJIH-AWEZNQCLSA-N 0 3 252.358 1.504 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126403341 260351429 /nfs/dbraw/zinc/35/14/29/260351429.db2.gz SZBZLMFWJGOIAR-NSHDSACASA-N 0 3 276.336 1.408 20 10 CDCDHN CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000166190714 261384534 /nfs/dbraw/zinc/38/45/34/261384534.db2.gz SHTDSHVCSUBTGG-JTQLQIEISA-N 0 3 259.733 1.915 20 10 CDCDHN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168869542 261423100 /nfs/dbraw/zinc/42/31/00/261423100.db2.gz AXZXMKAQIQBIGX-NMIRZEMHSA-N 0 3 259.346 1.949 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182210795 261439514 /nfs/dbraw/zinc/43/95/14/261439514.db2.gz MLZZQODQWBUNEN-AWEZNQCLSA-N 0 3 269.341 1.278 20 10 CDCDHN CCN(CC)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183469612 261976146 /nfs/dbraw/zinc/97/61/46/261976146.db2.gz XERMDHLDOLOCKY-LLVKDONJSA-N 0 3 280.368 1.487 20 10 CDCDHN CCC[N@H+](CCO)Cc1cccc(OCC)c1[O-] ZINC000271040332 276254214 /nfs/dbraw/zinc/25/42/14/276254214.db2.gz NIIFVZOHAZLBGJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCC[N@@H+](CCO)Cc1cccc(OCC)c1[O-] ZINC000271040332 276254216 /nfs/dbraw/zinc/25/42/16/276254216.db2.gz NIIFVZOHAZLBGJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1C ZINC000529669363 281352529 /nfs/dbraw/zinc/35/25/29/281352529.db2.gz WLGDLLDVMWHOTO-CALCHBBNSA-N 0 3 293.407 1.822 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1C ZINC000529669363 281352532 /nfs/dbraw/zinc/35/25/32/281352532.db2.gz WLGDLLDVMWHOTO-CALCHBBNSA-N 0 3 293.407 1.822 20 10 CDCDHN CCS(=O)(=O)CCNCc1cccc(C)c1O ZINC000224733157 1159159237 /nfs/dbraw/zinc/15/92/37/1159159237.db2.gz RHRKSGJJBZZOLY-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1 ZINC000167335915 331308250 /nfs/dbraw/zinc/30/82/50/331308250.db2.gz XVRKEKZJPUGJRX-NSHDSACASA-N 0 3 261.369 1.410 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1ccc2c(c1)CCCN2C ZINC000135727584 334137006 /nfs/dbraw/zinc/13/70/06/334137006.db2.gz PCZSIXCKQLYSMQ-NSHDSACASA-N 0 3 261.369 1.423 20 10 CDCDHN CN(C)c1ccc(CN(CCOCCO)C2CC2)cc1 ZINC000265808734 522171787 /nfs/dbraw/zinc/17/17/87/522171787.db2.gz JDDDCZFSXNWPNN-UHFFFAOYSA-N 0 3 278.396 1.726 20 10 CDCDHN CC(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000274962697 519809737 /nfs/dbraw/zinc/80/97/37/519809737.db2.gz UGOBLHYRKMKWMA-XHDPSFHLSA-N 0 3 294.395 1.731 20 10 CDCDHN CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(C)cc1[O-] ZINC000280284281 522589274 /nfs/dbraw/zinc/58/92/74/522589274.db2.gz YUDTVDUJROXTIO-LBPRGKRZSA-N 0 3 291.351 1.293 20 10 CDCDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccc(N)cc1 ZINC000237113714 523040237 /nfs/dbraw/zinc/04/02/37/523040237.db2.gz ZYSMDMASYCLPMA-CQSZACIVSA-N 0 3 275.396 1.612 20 10 CDCDHN COCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000068963696 523256198 /nfs/dbraw/zinc/25/61/98/523256198.db2.gz BXAIJAFONGSMAV-UHFFFAOYSA-N 0 3 297.351 1.606 20 10 CDCDHN COCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000068963696 523256202 /nfs/dbraw/zinc/25/62/02/523256202.db2.gz BXAIJAFONGSMAV-UHFFFAOYSA-N 0 3 297.351 1.606 20 10 CDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000278707119 524036883 /nfs/dbraw/zinc/03/68/83/524036883.db2.gz OHUYZHIQRQCOMO-HIFRSBDPSA-N 0 3 295.379 1.238 20 10 CDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000278707119 524036887 /nfs/dbraw/zinc/03/68/87/524036887.db2.gz OHUYZHIQRQCOMO-HIFRSBDPSA-N 0 3 295.379 1.238 20 10 CDCDHN CNC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000048416730 524100238 /nfs/dbraw/zinc/10/02/38/524100238.db2.gz DOLCNIJHFKGPIE-ZDUSSCGKSA-N 0 3 275.396 1.901 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037156902 524753497 /nfs/dbraw/zinc/75/34/97/524753497.db2.gz WDYMTPYTINUPLL-NSHDSACASA-N 0 3 261.325 1.776 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000037782226 526028988 /nfs/dbraw/zinc/02/89/88/526028988.db2.gz YPJGHBCVZINZFX-NSHDSACASA-N 0 3 278.352 1.501 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000732273086 575085495 /nfs/dbraw/zinc/08/54/95/575085495.db2.gz VSZVHHUMSUNDAV-VHSXEESVSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000732273086 575085496 /nfs/dbraw/zinc/08/54/96/575085496.db2.gz VSZVHHUMSUNDAV-VHSXEESVSA-N 0 3 266.366 1.810 20 10 CDCDHN OCC1(NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000767929828 576239630 /nfs/dbraw/zinc/23/96/30/576239630.db2.gz RJMZPNBOSMASAK-UHFFFAOYSA-N 0 3 294.370 1.667 20 10 CDCDHN C[C@H]1C[N@H+](CCCNC(=O)c2cc([O-])cs2)CCCO1 ZINC000762922479 576693063 /nfs/dbraw/zinc/69/30/63/576693063.db2.gz UAAYWRBCWSPBSJ-NSHDSACASA-N 0 3 298.408 1.684 20 10 CDCDHN C[C@H]1C[N@@H+](CCCNC(=O)c2cc([O-])cs2)CCCO1 ZINC000762922479 576693065 /nfs/dbraw/zinc/69/30/65/576693065.db2.gz UAAYWRBCWSPBSJ-NSHDSACASA-N 0 3 298.408 1.684 20 10 CDCDHN C[C@H]1CN(CCCNC(=O)C2=CC(=O)CS2)CCCO1 ZINC000762922479 576693066 /nfs/dbraw/zinc/69/30/66/576693066.db2.gz UAAYWRBCWSPBSJ-NSHDSACASA-N 0 3 298.408 1.684 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c([O-])c1 ZINC000765795035 576056761 /nfs/dbraw/zinc/05/67/61/576056761.db2.gz GVSRTPXKVMCVAZ-KGLIPLIRSA-N 0 3 292.379 1.795 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCCO1 ZINC000768442602 576283515 /nfs/dbraw/zinc/28/35/15/576283515.db2.gz MHRZRFJEGKCEAP-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCCO1 ZINC000768442602 576283518 /nfs/dbraw/zinc/28/35/18/576283518.db2.gz MHRZRFJEGKCEAP-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446374 576284078 /nfs/dbraw/zinc/28/40/78/576284078.db2.gz JZYYUDAOBIQNQW-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446374 576284081 /nfs/dbraw/zinc/28/40/81/576284081.db2.gz JZYYUDAOBIQNQW-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN COc1cccc(O)c1CN1CCN(CC2CC2)CC1 ZINC000768770678 576306650 /nfs/dbraw/zinc/30/66/50/576306650.db2.gz IQBCNVBPVREJDN-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN CO[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769452673 576355235 /nfs/dbraw/zinc/35/52/35/576355235.db2.gz XYDCAIIWOJCPMX-INIZCTEOSA-N 0 3 276.380 1.744 20 10 CDCDHN COCCOC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000742377556 576599006 /nfs/dbraw/zinc/59/90/06/576599006.db2.gz VSHKTLUKJJWVCZ-LBPRGKRZSA-N 0 3 253.342 1.842 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000745789840 576742787 /nfs/dbraw/zinc/74/27/87/576742787.db2.gz QOLUOUHVCGKPDW-YPMHNXCESA-N 0 3 277.368 1.674 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCN(C)C ZINC000747584876 576875934 /nfs/dbraw/zinc/87/59/34/576875934.db2.gz QRFVQUSXPGXZQG-UHFFFAOYSA-N 0 3 292.427 1.764 20 10 CDCDHN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000748243304 576902802 /nfs/dbraw/zinc/90/28/02/576902802.db2.gz XNRSLCYQDINWHW-HNNXBMFYSA-N 0 3 295.335 1.942 20 10 CDCDHN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000756733638 577002294 /nfs/dbraw/zinc/00/22/94/577002294.db2.gz RLLCQJAHOQTBEJ-NSHDSACASA-N 0 3 290.367 1.906 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000756769822 577003535 /nfs/dbraw/zinc/00/35/35/577003535.db2.gz NYYBHNQAKHRFCO-BPYAMOTFSA-N 0 3 281.327 1.821 20 10 CDCDHN Cc1ccc(O)c(CNC2COC(C)(C)OC2)c1 ZINC000758010438 577067034 /nfs/dbraw/zinc/06/70/34/577067034.db2.gz MVDPELJTXMYVPD-UHFFFAOYSA-N 0 3 251.326 1.942 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758010438 577067037 /nfs/dbraw/zinc/06/70/37/577067037.db2.gz MVDPELJTXMYVPD-UHFFFAOYSA-N 0 3 251.326 1.942 20 10 CDCDHN COC1CCN(c2ccc(CN3CC[C@@H]3CO)cc2)CC1 ZINC000934019931 617859114 /nfs/dbraw/zinc/85/91/14/617859114.db2.gz TUWFJQUJEXGYBJ-MRXNPFEDSA-N 0 3 290.407 1.868 20 10 CDCDHN COc1cc(C)cc(CNCCS(=O)(=O)C2CC2)c1O ZINC000894992559 619181596 /nfs/dbraw/zinc/18/15/96/619181596.db2.gz AGXOMPXXCDBJCC-UHFFFAOYSA-N 0 3 299.392 1.376 20 10 CDCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000902626570 625053627 /nfs/dbraw/zinc/05/36/27/625053627.db2.gz GLNKPILIYAIXNZ-LSDHHAIUSA-N 0 3 277.364 1.999 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000037140887 1165761999 /nfs/dbraw/zinc/76/19/99/1165761999.db2.gz KQZLVZYAAVGHHB-UHFFFAOYSA-N 0 3 262.353 1.814 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCO[C@@H](C)C2)c([O-])c1 ZINC000877021180 1165960894 /nfs/dbraw/zinc/96/08/94/1165960894.db2.gz RTIMMUSAUNQONO-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN CCN1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000722356437 730459889 /nfs/dbraw/zinc/45/98/89/730459889.db2.gz PPGMXVSZTYNZIS-OLZOCXBDSA-N 0 3 274.364 1.980 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c([O-])c1 ZINC000877601303 730561445 /nfs/dbraw/zinc/56/14/45/730561445.db2.gz YUFDHABLFPYORF-UHFFFAOYSA-N 0 3 289.379 1.690 20 10 CDCDHN [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000164675425 730704174 /nfs/dbraw/zinc/70/41/74/730704174.db2.gz YMWVKFUTNNLYOQ-SECBINFHSA-N 0 3 256.733 1.205 20 10 CDCDHN O=C(NCC[NH+]1CCCCCC1)c1cccc(O)c1[O-] ZINC000186905554 730707200 /nfs/dbraw/zinc/70/72/00/730707200.db2.gz RHYPGPXYOQQKGX-UHFFFAOYSA-N 0 3 278.352 1.704 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2ncccn2)CC1 ZINC000876527949 730876361 /nfs/dbraw/zinc/87/63/61/730876361.db2.gz NCTCXGCXTJLBHM-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000877025284 731100994 /nfs/dbraw/zinc/10/09/94/731100994.db2.gz FWUJRPHNVCHCOP-UONOGXRCSA-N 0 3 278.396 1.899 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000809752139 731125982 /nfs/dbraw/zinc/12/59/82/731125982.db2.gz NOZLVSOMRVBGJR-ZDUSSCGKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000809752139 731125985 /nfs/dbraw/zinc/12/59/85/731125985.db2.gz NOZLVSOMRVBGJR-ZDUSSCGKSA-N 0 3 251.326 1.604 20 10 CDCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000830865545 731232057 /nfs/dbraw/zinc/23/20/57/731232057.db2.gz NYVJCDMIACWOTR-DZGCQCFKSA-N 0 3 292.379 1.108 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000877057130 731389394 /nfs/dbraw/zinc/38/93/94/731389394.db2.gz VFHLNDCOQQQTOV-CYBMUJFWSA-N 0 3 278.396 1.759 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)c(C)cc3O)C[C@@H]21 ZINC000793653927 731524060 /nfs/dbraw/zinc/52/40/60/731524060.db2.gz JTEUETGAKGBBGI-JYAVWHMHSA-N 0 3 291.347 1.560 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000840951832 731692183 /nfs/dbraw/zinc/69/21/83/731692183.db2.gz CPIHGNQFQFGDPO-LSDHHAIUSA-N 0 3 264.369 1.564 20 10 CDCDHN CCC[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000174371666 731800991 /nfs/dbraw/zinc/80/09/91/731800991.db2.gz YJPPMHQILVHTON-UHFFFAOYSA-N 0 3 290.363 1.753 20 10 CDCDHN CCC[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000174371666 731800992 /nfs/dbraw/zinc/80/09/92/731800992.db2.gz YJPPMHQILVHTON-UHFFFAOYSA-N 0 3 290.363 1.753 20 10 CDCDHN CC(C)(C)n1cc(CNCCc2ccc(N)cc2)nn1 ZINC000841038975 731818136 /nfs/dbraw/zinc/81/81/36/731818136.db2.gz WDICJCOBFMTQBW-UHFFFAOYSA-N 0 3 273.384 1.948 20 10 CDCDHN CCN(C)c1ccc(CN(CC)[C@H]2CCNC2=O)cc1 ZINC000815107611 731873652 /nfs/dbraw/zinc/87/36/52/731873652.db2.gz MBJKLSGDTOMIEI-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@H]2CC[NH2+]C2)c1[O-] ZINC000843351129 731877463 /nfs/dbraw/zinc/87/74/63/731877463.db2.gz FTQMWRAHOUFYOW-LBPRGKRZSA-N 0 3 266.316 1.528 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@@H](CO)OC(C)(C)C1 ZINC000877594067 731886428 /nfs/dbraw/zinc/88/64/28/731886428.db2.gz ANVRTRWXMUJRAI-LBPRGKRZSA-N 0 3 265.353 1.672 20 10 CDCDHN N[C@@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597960 731983692 /nfs/dbraw/zinc/98/36/92/731983692.db2.gz WULABSOMRJEKMY-LBPRGKRZSA-N 0 3 298.333 1.870 20 10 CDCDHN C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000094617642 732205706 /nfs/dbraw/zinc/20/57/06/732205706.db2.gz LUFOZUDPHUURPK-SECBINFHSA-N 0 3 254.305 1.660 20 10 CDCDHN COc1ccc(O)c(CN[C@H](C)c2n[nH]c(C)n2)c1 ZINC000392362336 732353781 /nfs/dbraw/zinc/35/37/81/732353781.db2.gz CPPSJSJKROAHMD-MRVPVSSYSA-N 0 3 262.313 1.678 20 10 CDCDHN COc1cccc([C@H](C)NCCS(C)(=O)=O)c1O ZINC000846141621 732429798 /nfs/dbraw/zinc/42/97/98/732429798.db2.gz KXDSYORTIKHKPP-VIFPVBQESA-N 0 3 273.354 1.096 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000808426565 732443126 /nfs/dbraw/zinc/44/31/26/732443126.db2.gz FMGANBWSVKNPBC-LLVKDONJSA-N 0 3 299.392 1.315 20 10 CDCDHN CCN(CC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103529521 732847502 /nfs/dbraw/zinc/84/75/02/732847502.db2.gz LIAUOOYCNSYFBV-NSHDSACASA-N 0 3 280.368 1.920 20 10 CDCDHN CC[NH+]1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000126352272 732893912 /nfs/dbraw/zinc/89/39/12/732893912.db2.gz NBQDJUUUOYRHQE-UHFFFAOYSA-N 0 3 278.352 1.560 20 10 CDCDHN CC[C@@H](C(=O)NCc1cc(C)ccc1O)N(C)C ZINC000862758426 733079360 /nfs/dbraw/zinc/07/93/60/733079360.db2.gz YSJMIJQJOSOYHX-LBPRGKRZSA-N 0 3 250.342 1.657 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000877142330 1165982275 /nfs/dbraw/zinc/98/22/75/1165982275.db2.gz RNYANHRVSZLQEB-CYBMUJFWSA-N 0 3 293.363 1.712 20 10 CDCDHN C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccccc1[O-] ZINC000879650001 1166391396 /nfs/dbraw/zinc/39/13/96/1166391396.db2.gz XBXGQXRLNDSMJS-SNVBAGLBSA-N 0 3 291.351 1.373 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000294081460 899150408 /nfs/dbraw/zinc/15/04/08/899150408.db2.gz QZNNBWLHDLJULC-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000294081460 899150416 /nfs/dbraw/zinc/15/04/16/899150416.db2.gz QZNNBWLHDLJULC-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@@H]1F ZINC001206174209 911904856 /nfs/dbraw/zinc/90/48/56/911904856.db2.gz MIQYWEPCUCWPRR-CMPLNLGQSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC[C@@H]1F ZINC001206174209 911904870 /nfs/dbraw/zinc/90/48/70/911904870.db2.gz MIQYWEPCUCWPRR-CMPLNLGQSA-N 0 3 274.286 1.932 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@@H](F)[C@@H](O)C3)ccc21 ZINC001138354208 936525269 /nfs/dbraw/zinc/52/52/69/936525269.db2.gz APWPMXRKZOFPOW-ZBFHGGJFSA-N 0 3 278.371 1.974 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN1CC[C@@]12CCOC2 ZINC001138499909 936543135 /nfs/dbraw/zinc/54/31/35/936543135.db2.gz ORTSMJYKTKSSHL-KRWDZBQOSA-N 0 3 288.391 1.888 20 10 CDCDHN CC(=O)N(C)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162450 936823025 /nfs/dbraw/zinc/82/30/25/936823025.db2.gz RXPXYSGAYRYJNH-GFCCVEGCSA-N 0 3 264.325 1.150 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC001169335028 927960293 /nfs/dbraw/zinc/96/02/93/927960293.db2.gz PIHOCKBRMKRKTD-FZMZJTMJSA-N 0 3 295.335 1.298 20 10 CDCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000697567082 937283399 /nfs/dbraw/zinc/28/33/99/937283399.db2.gz HJOIJCCCDUEDBA-KOLCDFICSA-N 0 3 269.366 1.402 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000815101383 929945632 /nfs/dbraw/zinc/94/56/32/929945632.db2.gz XTTMHBPKLQKUFE-HOCLYGCPSA-N 0 3 278.396 1.318 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)[C@@H](C)CO)c([O-])c1 ZINC000816653963 930332761 /nfs/dbraw/zinc/33/27/61/930332761.db2.gz OLJHUFRFLYSNSR-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)[C@@H](C)CO)c([O-])c1 ZINC000816653963 930332771 /nfs/dbraw/zinc/33/27/71/930332771.db2.gz OLJHUFRFLYSNSR-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC000817942368 930639950 /nfs/dbraw/zinc/63/99/50/930639950.db2.gz YCIYDHLWNWGYKK-JQWIXIFHSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817942368 930639958 /nfs/dbraw/zinc/63/99/58/930639958.db2.gz YCIYDHLWNWGYKK-JQWIXIFHSA-N 0 3 278.352 1.581 20 10 CDCDHN CC[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817953295 930644745 /nfs/dbraw/zinc/64/47/45/930644745.db2.gz ZGAXBJJWNUGHCI-SNVBAGLBSA-N 0 3 266.341 1.439 20 10 CDCDHN CCNCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817953295 930644751 /nfs/dbraw/zinc/64/47/51/930644751.db2.gz ZGAXBJJWNUGHCI-SNVBAGLBSA-N 0 3 266.341 1.439 20 10 CDCDHN CC[N@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C)CC1 ZINC001144508900 931874867 /nfs/dbraw/zinc/87/48/67/931874867.db2.gz CLCXWQHFYPHJEZ-UHFFFAOYSA-N 0 3 280.368 1.720 20 10 CDCDHN CC[N@@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C)CC1 ZINC001144508900 931874873 /nfs/dbraw/zinc/87/48/73/931874873.db2.gz CLCXWQHFYPHJEZ-UHFFFAOYSA-N 0 3 280.368 1.720 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001203622056 939697075 /nfs/dbraw/zinc/69/70/75/939697075.db2.gz MXCDSGPODPHJOQ-INIZCTEOSA-N 0 3 290.363 1.503 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001203622056 939697077 /nfs/dbraw/zinc/69/70/77/939697077.db2.gz MXCDSGPODPHJOQ-INIZCTEOSA-N 0 3 290.363 1.503 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001203620638 939697417 /nfs/dbraw/zinc/69/74/17/939697417.db2.gz GQXGNBIEGLIFJV-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001203620638 939697419 /nfs/dbraw/zinc/69/74/19/939697419.db2.gz GQXGNBIEGLIFJV-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001203634850 939698780 /nfs/dbraw/zinc/69/87/80/939698780.db2.gz YASWYOOTSKDDBZ-UHFFFAOYSA-N 0 3 291.347 1.930 20 10 CDCDHN COc1cc(CN2CCN3CCCC[C@H]3C2)cc(O)c1O ZINC001204343575 939757013 /nfs/dbraw/zinc/75/70/13/939757013.db2.gz UCGOOWYZEWMCNT-ZDUSSCGKSA-N 0 3 292.379 1.777 20 10 CDCDHN CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400170745 940844012 /nfs/dbraw/zinc/84/40/12/940844012.db2.gz KPAYRHARRNQMMV-AAEUAGOBSA-N 0 3 298.408 1.467 20 10 CDCDHN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC001277192567 942155517 /nfs/dbraw/zinc/15/55/17/942155517.db2.gz PDXNMDNRRYHXLE-OBPYKSBLSA-N 0 3 276.336 1.087 20 10 CDCDHN Oc1cc(CN2CC(N3CCCCC3)C2)cc(O)c1O ZINC001233016781 943464512 /nfs/dbraw/zinc/46/45/12/943464512.db2.gz OCDPOHCXBDAJJL-UHFFFAOYSA-N 0 3 278.352 1.474 20 10 CDCDHN COC(=O)C[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486358 943593951 /nfs/dbraw/zinc/59/39/51/943593951.db2.gz KFLZTEIGVURVJK-SNVBAGLBSA-N 0 3 295.335 1.579 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@@H]3COCO3)cc2)CC1 ZINC001234658215 943932048 /nfs/dbraw/zinc/93/20/48/943932048.db2.gz XRVAUCZUHBVCID-INIZCTEOSA-N 0 3 292.379 1.580 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236289791 944449255 /nfs/dbraw/zinc/44/92/55/944449255.db2.gz QLAVDYRDESPTAW-KOLCDFICSA-N 0 3 283.169 1.558 20 10 CDCDHN CCOc1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001237049479 944647076 /nfs/dbraw/zinc/64/70/76/944647076.db2.gz GLUXKCAGZYPSCO-UHFFFAOYSA-N 0 3 294.395 1.291 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001249178458 949440937 /nfs/dbraw/zinc/44/09/37/949440937.db2.gz RSZWSDCAGAKTHW-BETUJISGSA-N 0 3 261.321 1.559 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001249178458 949440945 /nfs/dbraw/zinc/44/09/45/949440945.db2.gz RSZWSDCAGAKTHW-BETUJISGSA-N 0 3 261.321 1.559 20 10 CDCDHN CN1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989400 956144615 /nfs/dbraw/zinc/14/46/15/956144615.db2.gz OKVXOGLRRHXQCU-HZRUHFOJSA-N 0 3 290.363 1.567 20 10 CDCDHN C[C@@H](C[S@@](C)=O)NCc1ccc(N(C)C)c(F)c1 ZINC001308369081 956523352 /nfs/dbraw/zinc/52/33/52/956523352.db2.gz GZFLEISUYVQNNW-XTZNXHDOSA-N 0 3 272.389 1.748 20 10 CDCDHN COCCN(CCO)Cc1ccc(N(C)C)cc1 ZINC000093005445 342422897 /nfs/dbraw/zinc/42/28/97/342422897.db2.gz KMIYSWYPOUWKDE-UHFFFAOYSA-N 0 3 252.358 1.193 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000092189094 342407644 /nfs/dbraw/zinc/40/76/44/342407644.db2.gz SUOQLLVDLHHTLL-AWEZNQCLSA-N 0 3 289.379 1.690 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000092189094 342407645 /nfs/dbraw/zinc/40/76/45/342407645.db2.gz SUOQLLVDLHHTLL-AWEZNQCLSA-N 0 3 289.379 1.690 20 10 CDCDHN CN(C)c1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000066887923 347545955 /nfs/dbraw/zinc/54/59/55/347545955.db2.gz GIUDYZPVFYUGAF-UHFFFAOYSA-N 0 3 290.411 1.646 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180787289 357289141 /nfs/dbraw/zinc/28/91/41/357289141.db2.gz IQJWBXCGIYFIRN-GFCCVEGCSA-N 0 3 259.346 1.735 20 10 CDCDHN [O-]c1ccc(F)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000226565317 359700321 /nfs/dbraw/zinc/70/03/21/359700321.db2.gz PYGYLXRUJFHHSE-GXFFZTMASA-N 0 3 250.317 1.715 20 10 CDCDHN CCOc1cccc(CN2CC(C(C)(C)O)C2)c1O ZINC000297525881 200219802 /nfs/dbraw/zinc/21/98/02/200219802.db2.gz YRELASXBMJGDME-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235437378 361088507 /nfs/dbraw/zinc/08/85/07/361088507.db2.gz HQOGSXGXQHOMQC-CYBMUJFWSA-N 0 3 252.289 1.229 20 10 CDCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235437378 361088509 /nfs/dbraw/zinc/08/85/09/361088509.db2.gz HQOGSXGXQHOMQC-CYBMUJFWSA-N 0 3 252.289 1.229 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000281241252 363770684 /nfs/dbraw/zinc/77/06/84/363770684.db2.gz VEXODIKJAAIXCG-LLVKDONJSA-N 0 3 283.393 1.928 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CC2)c1 ZINC000281241252 363770687 /nfs/dbraw/zinc/77/06/87/363770687.db2.gz VEXODIKJAAIXCG-LLVKDONJSA-N 0 3 283.393 1.928 20 10 CDCDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000275563189 363880800 /nfs/dbraw/zinc/88/08/00/363880800.db2.gz NYSKWAWGMZBFOK-HOCLYGCPSA-N 0 3 299.374 1.975 20 10 CDCDHN O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3[O-])CC2)N1 ZINC000271874994 365003147 /nfs/dbraw/zinc/00/31/47/365003147.db2.gz NRWPVLBPXBPSET-UHFFFAOYSA-N 0 3 289.335 1.003 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000272879867 365430107 /nfs/dbraw/zinc/43/01/07/365430107.db2.gz QJWLOSXRTNEXMX-IINYFYTJSA-N 0 3 261.325 1.510 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cc(C)c(C)cc1[O-] ZINC000282890881 368088941 /nfs/dbraw/zinc/08/89/41/368088941.db2.gz ZHXNTZVGTDQFNX-UHFFFAOYSA-N 0 3 267.369 1.840 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cc(C)c(C)cc1[O-] ZINC000282890881 368088948 /nfs/dbraw/zinc/08/89/48/368088948.db2.gz ZHXNTZVGTDQFNX-UHFFFAOYSA-N 0 3 267.369 1.840 20 10 CDCDHN COc1cccc(CNC(=O)N[C@@H](C)CN(C)C)c1O ZINC000288116216 369409261 /nfs/dbraw/zinc/40/92/61/369409261.db2.gz VXUBPDJAXACTST-JTQLQIEISA-N 0 3 281.356 1.150 20 10 CDCDHN Cc1cc(CN2CCCN(C(N)=O)CC2)ccc1N(C)C ZINC000293021382 370486651 /nfs/dbraw/zinc/48/66/51/370486651.db2.gz IGECDSPLOVXRIC-UHFFFAOYSA-N 0 3 290.411 1.647 20 10 CDCDHN CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295118780 371133461 /nfs/dbraw/zinc/13/34/61/371133461.db2.gz MVLBXJJXDMTCEO-LBPRGKRZSA-N 0 3 264.325 1.665 20 10 CDCDHN CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295118780 371133463 /nfs/dbraw/zinc/13/34/63/371133463.db2.gz MVLBXJJXDMTCEO-LBPRGKRZSA-N 0 3 264.325 1.665 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCCF ZINC000296246976 371676404 /nfs/dbraw/zinc/67/64/04/371676404.db2.gz BAPSIAWLFKZQKX-MWLCHTKSSA-N 0 3 266.316 1.443 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC(CC(N)=O)C2)c1O ZINC000297423024 371989213 /nfs/dbraw/zinc/98/92/13/371989213.db2.gz NPGLSDRLTHOIHA-UHFFFAOYSA-N 0 3 268.744 1.661 20 10 CDCDHN CC[N@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000109745936 390648669 /nfs/dbraw/zinc/64/86/69/390648669.db2.gz DKYOIBMEZNJMLA-UHFFFAOYSA-N 0 3 253.298 1.589 20 10 CDCDHN CC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000109745936 390648672 /nfs/dbraw/zinc/64/86/72/390648672.db2.gz DKYOIBMEZNJMLA-UHFFFAOYSA-N 0 3 253.298 1.589 20 10 CDCDHN CCN(CCOC)Cc1cc2c(cc1O)OCO2 ZINC000109745936 390648675 /nfs/dbraw/zinc/64/86/75/390648675.db2.gz DKYOIBMEZNJMLA-UHFFFAOYSA-N 0 3 253.298 1.589 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H](CO)C(C)(C)C ZINC000093837452 390904840 /nfs/dbraw/zinc/90/48/40/390904840.db2.gz QIIBPMQQQCNWMU-CQSZACIVSA-N 0 3 281.352 1.960 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H](CO)C(C)(C)C ZINC000093837452 390904842 /nfs/dbraw/zinc/90/48/42/390904842.db2.gz QIIBPMQQQCNWMU-CQSZACIVSA-N 0 3 281.352 1.960 20 10 CDCDHN COC[C@H](CCO)NCc1ccc(OC)c(C)c1 ZINC000219140528 391049378 /nfs/dbraw/zinc/04/93/78/391049378.db2.gz NCGJPLSGEUFZMG-ZDUSSCGKSA-N 0 3 253.342 1.491 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000176752895 391157398 /nfs/dbraw/zinc/15/73/98/391157398.db2.gz WYRJIFAWKQBXGU-ZDUSSCGKSA-N 0 3 269.366 1.358 20 10 CDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710865 391190484 /nfs/dbraw/zinc/19/04/84/391190484.db2.gz MRMBSBADUYBABU-HNNXBMFYSA-N 0 3 275.396 1.886 20 10 CDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000181564026 391224551 /nfs/dbraw/zinc/22/45/51/391224551.db2.gz APPMSNDQBILNHS-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN Oc1ccccc1CN1CCN(c2cccnn2)CC1 ZINC000179567489 391211582 /nfs/dbraw/zinc/21/15/82/391211582.db2.gz WTKCWUPWHYZEAA-UHFFFAOYSA-N 0 3 270.336 1.504 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183603772 391266860 /nfs/dbraw/zinc/26/68/60/391266860.db2.gz KDDVITJQDGTOOH-QWRGUYRKSA-N 0 3 271.382 1.866 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)CNC[C@@H]1CCCO1 ZINC000237167816 391280345 /nfs/dbraw/zinc/28/03/45/391280345.db2.gz ICVHSCPWBVQEPN-ZDUSSCGKSA-N 0 3 278.352 1.119 20 10 CDCDHN CC[C@@H](NC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000662753541 413434285 /nfs/dbraw/zinc/43/42/85/413434285.db2.gz SUZXALYFQJBYAC-GFCCVEGCSA-N 0 3 277.368 1.476 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCN2CCCC2)c1 ZINC000020127096 171011885 /nfs/dbraw/zinc/01/18/85/171011885.db2.gz QIHPOCASINPTBY-UHFFFAOYSA-N 0 3 250.342 1.586 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1[O-] ZINC000091662200 260266364 /nfs/dbraw/zinc/26/63/64/260266364.db2.gz KBGZFIYNAOOLAH-BFHYXJOUSA-N 0 3 276.380 1.906 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CNCC1=CCCOC1 ZINC000126737984 260356833 /nfs/dbraw/zinc/35/68/33/260356833.db2.gz QXKRBOMZOOTLGX-UHFFFAOYSA-N 0 3 288.391 1.960 20 10 CDCDHN CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1[O-] ZINC000157914373 261155583 /nfs/dbraw/zinc/15/55/83/261155583.db2.gz JRPBJFOPCLGIJM-LBPRGKRZSA-N 0 3 288.351 1.586 20 10 CDCDHN CC(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166473565 261390329 /nfs/dbraw/zinc/39/03/29/261390329.db2.gz BKSNKHGIOIRLJI-HNNXBMFYSA-N 0 3 275.396 1.669 20 10 CDCDHN COC(=O)N1CC(N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000186137409 262081031 /nfs/dbraw/zinc/08/10/31/262081031.db2.gz REFHJNCIYLCQRH-VIFPVBQESA-N 0 3 280.324 1.502 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1OC ZINC000369677487 267259261 /nfs/dbraw/zinc/25/92/61/267259261.db2.gz XJIWEHJIZPUZCP-MRXNPFEDSA-N 0 3 293.363 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1OC ZINC000369677487 267259264 /nfs/dbraw/zinc/25/92/64/267259264.db2.gz XJIWEHJIZPUZCP-MRXNPFEDSA-N 0 3 293.363 1.756 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000369676207 267260076 /nfs/dbraw/zinc/26/00/76/267260076.db2.gz MTSSDOPHJTYJDP-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000369676207 267260077 /nfs/dbraw/zinc/26/00/77/267260077.db2.gz MTSSDOPHJTYJDP-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296409290 289739329 /nfs/dbraw/zinc/73/93/29/289739329.db2.gz KUESNOZDRRGGON-CINOJJQCSA-N 0 3 253.367 1.736 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CCO)C(C)C)c1 ZINC000224869531 329244816 /nfs/dbraw/zinc/24/48/16/329244816.db2.gz YNZCEWSERDBXSR-ZDUSSCGKSA-N 0 3 253.342 1.897 20 10 CDCDHN C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1 ZINC000167336019 331308205 /nfs/dbraw/zinc/30/82/05/331308205.db2.gz XVRKEKZJPUGJRX-LLVKDONJSA-N 0 3 261.369 1.410 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228065149 333294003 /nfs/dbraw/zinc/29/40/03/333294003.db2.gz QRKQBANJTJYEED-YWPYICTPSA-N 0 3 265.353 1.891 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)c2c1c(F)ccc2[O-] ZINC000530222008 333528828 /nfs/dbraw/zinc/52/88/28/333528828.db2.gz FLKUPMQSUGYZLY-SCVCMEIPSA-N 0 3 280.343 1.658 20 10 CDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000036990356 524072231 /nfs/dbraw/zinc/07/22/31/524072231.db2.gz DCYBEEDZEILBJQ-GFCCVEGCSA-N 0 3 291.395 1.253 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@@]2(CCO)CCOC2)cc1C ZINC000278501805 525323121 /nfs/dbraw/zinc/32/31/21/525323121.db2.gz OBZWALVBFPIURF-HNNXBMFYSA-N 0 3 265.353 1.640 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000083552382 525345968 /nfs/dbraw/zinc/34/59/68/525345968.db2.gz ZXRJFWGOLXZNHS-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000094617635 525361220 /nfs/dbraw/zinc/36/12/20/525361220.db2.gz XEYJUSAXXCSQPU-QMMMGPOBSA-N 0 3 261.318 1.227 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000726797827 574506531 /nfs/dbraw/zinc/50/65/31/574506531.db2.gz ZDFAIQWXQPWJPG-NSHDSACASA-N 0 3 264.325 1.111 20 10 CDCDHN C[C@@H]([NH2+]CCOCCN(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774377102 575201828 /nfs/dbraw/zinc/20/18/28/575201828.db2.gz PXVBRYZMOZTAPF-LLVKDONJSA-N 0 3 297.355 1.529 20 10 CDCDHN CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732279226 575086232 /nfs/dbraw/zinc/08/62/32/575086232.db2.gz LTLCKNYHYSSXCB-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN CC[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732279226 575086233 /nfs/dbraw/zinc/08/62/33/575086233.db2.gz LTLCKNYHYSSXCB-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN COCC1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000774647471 575223810 /nfs/dbraw/zinc/22/38/10/575223810.db2.gz SCJVSPOWBVYGNW-OAHLLOKOSA-N 0 3 291.347 1.597 20 10 CDCDHN COCC1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000774647471 575223811 /nfs/dbraw/zinc/22/38/11/575223811.db2.gz SCJVSPOWBVYGNW-OAHLLOKOSA-N 0 3 291.347 1.597 20 10 CDCDHN COCCOC[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769508459 575353637 /nfs/dbraw/zinc/35/36/37/575353637.db2.gz QQWFGLYIOBTYRG-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769508459 575353641 /nfs/dbraw/zinc/35/36/41/575353641.db2.gz QQWFGLYIOBTYRG-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769544595 575358584 /nfs/dbraw/zinc/35/85/84/575358584.db2.gz YYEZNRBNEHACCX-MRXNPFEDSA-N 0 3 294.370 1.619 20 10 CDCDHN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510504 575458562 /nfs/dbraw/zinc/45/85/62/575458562.db2.gz MVYDPYRXVMJJBE-CQSZACIVSA-N 0 3 274.364 1.979 20 10 CDCDHN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510504 575458564 /nfs/dbraw/zinc/45/85/64/575458564.db2.gz MVYDPYRXVMJJBE-CQSZACIVSA-N 0 3 274.364 1.979 20 10 CDCDHN CCN(C)c1ccc(CN(C)CCNC(=O)N(C)C)cc1 ZINC000773825034 575839864 /nfs/dbraw/zinc/83/98/64/575839864.db2.gz WKBFEZBAHKVSSF-UHFFFAOYSA-N 0 3 292.427 1.846 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000769333975 576347253 /nfs/dbraw/zinc/34/72/53/576347253.db2.gz MAZQDKHPMCQJTF-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000769333975 576347256 /nfs/dbraw/zinc/34/72/56/576347256.db2.gz MAZQDKHPMCQJTF-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@H]2CCOC2)c1O ZINC000754726165 576912504 /nfs/dbraw/zinc/91/25/04/576912504.db2.gz FDGMZYNJSOXWPK-LBPRGKRZSA-N 0 3 251.326 1.930 20 10 CDCDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000757926493 577061426 /nfs/dbraw/zinc/06/14/26/577061426.db2.gz MAIIHPIALJMDFY-HNNXBMFYSA-N 0 3 281.352 1.758 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1cc(C)ccc1O ZINC000757926493 577061427 /nfs/dbraw/zinc/06/14/27/577061427.db2.gz MAIIHPIALJMDFY-HNNXBMFYSA-N 0 3 281.352 1.758 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892126867 617495953 /nfs/dbraw/zinc/49/59/53/617495953.db2.gz JYDYGQMGEVWSBN-UHFFFAOYSA-N 0 3 296.367 1.367 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892126867 617495955 /nfs/dbraw/zinc/49/59/55/617495955.db2.gz JYDYGQMGEVWSBN-UHFFFAOYSA-N 0 3 296.367 1.367 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892792206 617753326 /nfs/dbraw/zinc/75/33/26/617753326.db2.gz RJGAULLTXAKTLR-PWSUYJOCSA-N 0 3 269.366 1.305 20 10 CDCDHN CN(C)c1ccc([C@H](CNCc2ncc[nH]2)N(C)C)cc1 ZINC000898451686 621741942 /nfs/dbraw/zinc/74/19/42/621741942.db2.gz NPYJYWJJTQMXDE-HNNXBMFYSA-N 0 3 287.411 1.868 20 10 CDCDHN CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126368062 1165986124 /nfs/dbraw/zinc/98/61/24/1165986124.db2.gz AJDWQDXNUWGJQY-JTQLQIEISA-N 0 3 266.341 1.558 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000877617949 1166066883 /nfs/dbraw/zinc/06/68/83/1166066883.db2.gz AHTWWWPMEYKBLA-NSHDSACASA-N 0 3 272.352 1.476 20 10 CDCDHN COC[C@@]1(CO)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877573059 735161496 /nfs/dbraw/zinc/16/14/96/735161496.db2.gz KZZDMMGXUOXECQ-HNNXBMFYSA-N 0 3 265.353 1.531 20 10 CDCDHN COC[C@@]1(CO)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877573059 735161499 /nfs/dbraw/zinc/16/14/99/735161499.db2.gz KZZDMMGXUOXECQ-HNNXBMFYSA-N 0 3 265.353 1.531 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)c([O-])c1 ZINC000396763467 735178557 /nfs/dbraw/zinc/17/85/57/735178557.db2.gz KQHSTKPIQPHQRS-NSHDSACASA-N 0 3 264.325 1.159 20 10 CDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000776868587 735357979 /nfs/dbraw/zinc/35/79/79/735357979.db2.gz IQXHETLBPIKTFF-XNRPHZJLSA-N 0 3 295.379 1.863 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCN(C)CC1 ZINC000886524890 735405229 /nfs/dbraw/zinc/40/52/29/735405229.db2.gz STLUZRJZKQLECJ-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN NC(=O)CN(Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000132991603 735508701 /nfs/dbraw/zinc/50/87/01/735508701.db2.gz DKGVWKKSTQLIEH-UHFFFAOYSA-N 0 3 292.335 1.351 20 10 CDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)C2CC2)c1O ZINC000846172287 735829083 /nfs/dbraw/zinc/82/90/83/735829083.db2.gz KNHYEYQUTNTXLU-SNVBAGLBSA-N 0 3 299.392 1.629 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858601079 733288935 /nfs/dbraw/zinc/28/89/35/733288935.db2.gz BJFPSVWJTNVURJ-NTZNESFSSA-N 0 3 294.370 1.736 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c([O-])c1 ZINC000877590000 733417958 /nfs/dbraw/zinc/41/79/58/733417958.db2.gz VOTVSQJREAWZMG-KBPBESRZSA-N 0 3 265.353 1.578 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000724889853 733432793 /nfs/dbraw/zinc/43/27/93/733432793.db2.gz QLWFVHJOAGIQEI-GAJTVXKRSA-N 0 3 269.316 1.986 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3c(O)cccc3OC)C[C@@H]21 ZINC000814172833 733434922 /nfs/dbraw/zinc/43/49/22/733434922.db2.gz AWPIKBCFMLFPCX-MSRIBSCDSA-N 0 3 277.320 1.252 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])cccc3OC)C[C@@H]21 ZINC000814172833 733434925 /nfs/dbraw/zinc/43/49/25/733434925.db2.gz AWPIKBCFMLFPCX-MSRIBSCDSA-N 0 3 277.320 1.252 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])cccc3OC)C[C@@H]21 ZINC000814172833 733434928 /nfs/dbraw/zinc/43/49/28/733434928.db2.gz AWPIKBCFMLFPCX-MSRIBSCDSA-N 0 3 277.320 1.252 20 10 CDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877424333 733469271 /nfs/dbraw/zinc/46/92/71/733469271.db2.gz JAWMVDVEXPXNBG-GOEBONIOSA-N 0 3 295.379 1.611 20 10 CDCDHN Cc1noc(C2CN(Cc3c(C)cccc3O)C2)n1 ZINC000877580135 733572888 /nfs/dbraw/zinc/57/28/88/733572888.db2.gz NJJIMYBSEVXMHU-UHFFFAOYSA-N 0 3 259.309 1.991 20 10 CDCDHN COCC(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839479590 733607105 /nfs/dbraw/zinc/60/71/05/733607105.db2.gz NCFDSNGPOOVCHZ-UHFFFAOYSA-N 0 3 293.411 1.383 20 10 CDCDHN CCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097781 733623911 /nfs/dbraw/zinc/62/39/11/733623911.db2.gz MEQGJZVMEAIPNF-HNNXBMFYSA-N 0 3 293.411 1.508 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000793281707 733634419 /nfs/dbraw/zinc/63/44/19/733634419.db2.gz UPBGILAFYAWAOS-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN CCN1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000022444504 733647236 /nfs/dbraw/zinc/64/72/36/733647236.db2.gz QGRFQQUADWOXLY-UHFFFAOYSA-N 0 3 280.368 1.547 20 10 CDCDHN COCCN(CCOC)Cc1cc(C)cc(OC)c1O ZINC000163818081 733694926 /nfs/dbraw/zinc/69/49/26/733694926.db2.gz PKKSVRDIZITIKF-UHFFFAOYSA-N 0 3 283.368 1.804 20 10 CDCDHN Cc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c([O-])c1 ZINC000877021273 733768261 /nfs/dbraw/zinc/76/82/61/733768261.db2.gz DUZCKMUUQQCQBS-UHFFFAOYSA-N 0 3 298.408 1.216 20 10 CDCDHN COCC(COC)NCc1ccc2c(c1)CCCO2 ZINC000922162721 733974200 /nfs/dbraw/zinc/97/42/00/733974200.db2.gz IOXZIPXZWAUYFB-UHFFFAOYSA-N 0 3 265.353 1.763 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1c([O-])cccc1F ZINC000886590147 734091706 /nfs/dbraw/zinc/09/17/06/734091706.db2.gz ORHSYBPKBMYDCJ-QMTHXVAHSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)CCSC)c(O)c1 ZINC000832177613 734218079 /nfs/dbraw/zinc/21/80/79/734218079.db2.gz BVSWBPDVWLYKBR-NSHDSACASA-N 0 3 284.381 1.097 20 10 CDCDHN CSC[C@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877052069 734237337 /nfs/dbraw/zinc/23/73/37/734237337.db2.gz RBXWHILDMIRUTJ-LBPRGKRZSA-N 0 3 255.383 1.904 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H](C[NH3+])C2)c1[O-] ZINC000843347919 734315624 /nfs/dbraw/zinc/31/56/24/734315624.db2.gz YEDILQGCUQDQCX-LLVKDONJSA-N 0 3 280.343 1.905 20 10 CDCDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000842227178 734641066 /nfs/dbraw/zinc/64/10/66/734641066.db2.gz RSLGWBPRTIPZRR-UKRRQHHQSA-N 0 3 284.375 1.503 20 10 CDCDHN C[C@H](NC1C[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817956267 734659191 /nfs/dbraw/zinc/65/91/91/734659191.db2.gz VFLWVCGPNPSDQO-ZETCQYMHSA-N 0 3 271.158 1.777 20 10 CDCDHN CCC[C@H](O)[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000842227179 734674941 /nfs/dbraw/zinc/67/49/41/734674941.db2.gz RSLGWBPRTIPZRR-ZFWWWQNUSA-N 0 3 284.375 1.503 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000876767122 734843341 /nfs/dbraw/zinc/84/33/41/734843341.db2.gz BLUWTEKKJZWNAA-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000876767122 734843342 /nfs/dbraw/zinc/84/33/42/734843342.db2.gz BLUWTEKKJZWNAA-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Oc1ccccc1CNCc1cc2c(cn1)OCCO2 ZINC000876996119 735168721 /nfs/dbraw/zinc/16/87/21/735168721.db2.gz PIXUSOUVOCXBSF-UHFFFAOYSA-N 0 3 272.304 1.848 20 10 CDCDHN Cc1ccc(CNCc2ccnc(N(C)C)n2)c(O)c1 ZINC000877136259 735175684 /nfs/dbraw/zinc/17/56/84/735175684.db2.gz AIFJVMKNRFMERD-UHFFFAOYSA-N 0 3 272.352 1.846 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000780787245 735249872 /nfs/dbraw/zinc/24/98/72/735249872.db2.gz TWOHPQDKDGQOPD-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000780787245 735249875 /nfs/dbraw/zinc/24/98/75/735249875.db2.gz TWOHPQDKDGQOPD-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000877674638 735656238 /nfs/dbraw/zinc/65/62/38/735656238.db2.gz NXOVPUJXXIHMPL-CQSZACIVSA-N 0 3 262.353 1.883 20 10 CDCDHN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000877674638 735656246 /nfs/dbraw/zinc/65/62/46/735656246.db2.gz NXOVPUJXXIHMPL-CQSZACIVSA-N 0 3 262.353 1.883 20 10 CDCDHN COc1cccc(CN(C)C[C@H]2COCCO2)c1O ZINC000827140322 735748615 /nfs/dbraw/zinc/74/86/15/735748615.db2.gz JZUSNYRZRIMXPJ-LBPRGKRZSA-N 0 3 267.325 1.248 20 10 CDCDHN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000783533498 735811035 /nfs/dbraw/zinc/81/10/35/735811035.db2.gz RHQFQKPEQHBUAS-FZMZJTMJSA-N 0 3 265.353 1.830 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(C)cc1[O-] ZINC000840802354 735837292 /nfs/dbraw/zinc/83/72/92/735837292.db2.gz IBZQLQGRAWXZJK-GXTWGEPZSA-N 0 3 290.367 1.394 20 10 CDCDHN CS(=O)(=O)CCCC[NH2+]Cc1ccccc1[O-] ZINC000692784216 900177928 /nfs/dbraw/zinc/17/79/28/900177928.db2.gz KNEDMOYDHOHVNO-UHFFFAOYSA-N 0 3 257.355 1.307 20 10 CDCDHN O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])CCN12 ZINC001172164991 911410509 /nfs/dbraw/zinc/41/05/09/911410509.db2.gz LRBIBFMZFJAZJA-NWDGAFQWSA-N 0 3 276.336 1.341 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140057131 936675006 /nfs/dbraw/zinc/67/50/06/936675006.db2.gz CSOTYFHRXMIVBH-AAEUAGOBSA-N 0 3 257.280 1.826 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140057131 936675008 /nfs/dbraw/zinc/67/50/08/936675008.db2.gz CSOTYFHRXMIVBH-AAEUAGOBSA-N 0 3 257.280 1.826 20 10 CDCDHN O=C1NCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC001140060202 936675384 /nfs/dbraw/zinc/67/53/84/936675384.db2.gz PETHVBGGGRXMKY-UHFFFAOYSA-N 0 3 279.315 1.179 20 10 CDCDHN COC(CN(C)Cc1ccc(O)c(C)c1O)OC ZINC001140747423 936749004 /nfs/dbraw/zinc/74/90/04/936749004.db2.gz CIBKSWVHEBAOFT-UHFFFAOYSA-N 0 3 255.314 1.457 20 10 CDCDHN CC(=O)N[C@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140746191 936749232 /nfs/dbraw/zinc/74/92/32/936749232.db2.gz VSNUOGNSEODLEP-ZDUSSCGKSA-N 0 3 278.352 1.507 20 10 CDCDHN Cc1c(O)ccc(CN2CC3(CSC3)C2)c1O ZINC001140749454 936749506 /nfs/dbraw/zinc/74/95/06/936749506.db2.gz ALBXQIFMASTMED-UHFFFAOYSA-N 0 3 251.351 1.955 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c([O-])c1 ZINC001140948086 936782230 /nfs/dbraw/zinc/78/22/30/936782230.db2.gz SAVNVQXJMZCHLR-AWEZNQCLSA-N 0 3 277.364 1.816 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141031711 936795551 /nfs/dbraw/zinc/79/55/51/936795551.db2.gz IRJPNJFLTGRBGP-NXEZZACHSA-N 0 3 267.325 1.365 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141031711 936795552 /nfs/dbraw/zinc/79/55/52/936795552.db2.gz IRJPNJFLTGRBGP-NXEZZACHSA-N 0 3 267.325 1.365 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CCC2OCCO2)c(OC)c1 ZINC001141028884 936794028 /nfs/dbraw/zinc/79/40/28/936794028.db2.gz DMBYCXHIFUQQRX-UHFFFAOYSA-N 0 3 297.351 1.604 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CCC2OCCO2)c(OC)c1 ZINC001141028884 936794029 /nfs/dbraw/zinc/79/40/29/936794029.db2.gz DMBYCXHIFUQQRX-UHFFFAOYSA-N 0 3 297.351 1.604 20 10 CDCDHN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001169449241 928040533 /nfs/dbraw/zinc/04/05/33/928040533.db2.gz QEKMZJVTTDXIOG-NSHDSACASA-N 0 3 280.368 1.834 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667106 930333707 /nfs/dbraw/zinc/33/37/07/930333707.db2.gz CMRSCMJDLWFJIT-JKSUJKDBSA-N 0 3 277.364 1.802 20 10 CDCDHN COCCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116439688 937449046 /nfs/dbraw/zinc/44/90/46/937449046.db2.gz NJIZCTSUWXAOIY-UHFFFAOYSA-N 0 3 295.402 1.656 20 10 CDCDHN C[C@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@]1(C)O ZINC001144504374 931865170 /nfs/dbraw/zinc/86/51/70/931865170.db2.gz RHLFCZIEIBPQAH-BONVTDFDSA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@]1(C)O ZINC001144504374 931865171 /nfs/dbraw/zinc/86/51/71/931865171.db2.gz RHLFCZIEIBPQAH-BONVTDFDSA-N 0 3 281.352 1.786 20 10 CDCDHN CN(C1CN(Cc2ccccc2O)C1)[C@@H]1CCOC1 ZINC001203556589 939693132 /nfs/dbraw/zinc/69/31/32/939693132.db2.gz UXHLDFCNYXLXIJ-CYBMUJFWSA-N 0 3 262.353 1.297 20 10 CDCDHN C[C@H](CC(N)=O)NCc1cc(F)c(N(C)C)cc1F ZINC001329966305 941468247 /nfs/dbraw/zinc/46/82/47/941468247.db2.gz LSSPRPHQRLFJHZ-MRVPVSSYSA-N 0 3 271.311 1.384 20 10 CDCDHN COc1cc(CN2CC(C)(N(C)C)C2)c(O)cc1O ZINC001231638205 942954294 /nfs/dbraw/zinc/95/42/94/942954294.db2.gz WJTISICHSXYPOM-UHFFFAOYSA-N 0 3 266.341 1.242 20 10 CDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001277569120 943020215 /nfs/dbraw/zinc/02/02/15/943020215.db2.gz VHNSXEVNZLBBSJ-OAHLLOKOSA-N 0 3 298.386 1.921 20 10 CDCDHN C[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010887 943461576 /nfs/dbraw/zinc/46/15/76/943461576.db2.gz WKSJYBQCDRRVMR-MEBBXXQBSA-N 0 3 281.352 1.786 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001236793700 944570847 /nfs/dbraw/zinc/57/08/47/944570847.db2.gz DZVSFSMVEHGXNR-MRXNPFEDSA-N 0 3 290.407 1.861 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001236793700 944570851 /nfs/dbraw/zinc/57/08/51/944570851.db2.gz DZVSFSMVEHGXNR-MRXNPFEDSA-N 0 3 290.407 1.861 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236808117 944575282 /nfs/dbraw/zinc/57/52/82/944575282.db2.gz MRRJUKDBBDQCPQ-MRXNPFEDSA-N 0 3 290.363 1.421 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236808117 944575291 /nfs/dbraw/zinc/57/52/91/944575291.db2.gz MRRJUKDBBDQCPQ-MRXNPFEDSA-N 0 3 290.363 1.421 20 10 CDCDHN COc1cc([O-])c(CN(C)C[C@H](C)[NH3+])cc1Cl ZINC001236904413 944611219 /nfs/dbraw/zinc/61/12/19/944611219.db2.gz LTSMTRHKOVLCEX-QMMMGPOBSA-N 0 3 258.749 1.833 20 10 CDCDHN CCOc1ccc(CN2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001237037869 944642919 /nfs/dbraw/zinc/64/29/19/944642919.db2.gz AAMHTLPTFVVQJH-OCCSQVGLSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001237037869 944642910 /nfs/dbraw/zinc/64/29/10/944642910.db2.gz AAMHTLPTFVVQJH-OCCSQVGLSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001237037869 944642915 /nfs/dbraw/zinc/64/29/15/944642915.db2.gz AAMHTLPTFVVQJH-OCCSQVGLSA-N 0 3 269.316 1.696 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1[O-] ZINC001237681724 944924501 /nfs/dbraw/zinc/92/45/01/944924501.db2.gz PYWUZLXBVQRGDR-JQWIXIFHSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1[O-] ZINC001237681724 944924510 /nfs/dbraw/zinc/92/45/10/944924510.db2.gz PYWUZLXBVQRGDR-JQWIXIFHSA-N 0 3 271.744 1.139 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(OC)CC2)c([O-])c1 ZINC001249171505 949436219 /nfs/dbraw/zinc/43/62/19/949436219.db2.gz COGQRQWHNFUVOH-UHFFFAOYSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2)c([O-])c1 ZINC001249171242 949437337 /nfs/dbraw/zinc/43/73/37/949437337.db2.gz ATHJJDXYLPCWIQ-UHFFFAOYSA-N 0 3 263.337 1.950 20 10 CDCDHN CCCCOC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252516974 951401333 /nfs/dbraw/zinc/40/13/33/951401333.db2.gz WJVNOZAIBYHPQW-CQSZACIVSA-N 0 3 279.380 1.928 20 10 CDCDHN CCCCOC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252516974 951401336 /nfs/dbraw/zinc/40/13/36/951401336.db2.gz WJVNOZAIBYHPQW-CQSZACIVSA-N 0 3 279.380 1.928 20 10 CDCDHN C[C@H](C[S@](C)=O)NCc1ccc(N(C)C)c(F)c1 ZINC001308369076 956525160 /nfs/dbraw/zinc/52/51/60/956525160.db2.gz GZFLEISUYVQNNW-MGNBDDOMSA-N 0 3 272.389 1.748 20 10 CDCDHN C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265162 994570549 /nfs/dbraw/zinc/57/05/49/994570549.db2.gz QJUFFIAEPOCEMI-WDEREUQCSA-N 0 3 278.352 1.741 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1[O-] ZINC000271739582 362037675 /nfs/dbraw/zinc/03/76/75/362037675.db2.gz VCODNIFCXQEAGK-JTQLQIEISA-N 0 3 272.295 1.814 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180567610 357276614 /nfs/dbraw/zinc/27/66/14/357276614.db2.gz VNNFNUQIAXOWTP-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180567610 357276616 /nfs/dbraw/zinc/27/66/16/357276616.db2.gz VNNFNUQIAXOWTP-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000297346146 200155623 /nfs/dbraw/zinc/15/56/23/200155623.db2.gz OUQLXCZNWANRJB-KBPBESRZSA-N 0 3 278.396 1.890 20 10 CDCDHN CC1CCN(c2ccc(CNC(=O)CN)cc2)CC1 ZINC000167862417 364952743 /nfs/dbraw/zinc/95/27/43/364952743.db2.gz AHJROHMVYHLTON-UHFFFAOYSA-N 0 3 261.369 1.498 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000168413411 364984521 /nfs/dbraw/zinc/98/45/21/364984521.db2.gz ZIKOZSZVSGDNLJ-HUTHGQBESA-N 0 3 257.355 1.257 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000271794150 364999544 /nfs/dbraw/zinc/99/95/44/364999544.db2.gz HNWOEOVGBLROMY-ZDUSSCGKSA-N 0 3 253.367 1.658 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C[S@@](C)=O)c1[O-] ZINC000169096638 365025008 /nfs/dbraw/zinc/02/50/08/365025008.db2.gz NWAHGJXHOZKCBH-ASCAZGACSA-N 0 3 291.800 1.911 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273345868 365487463 /nfs/dbraw/zinc/48/74/63/365487463.db2.gz ASRWQOFVKKZRRN-BZNIZROVSA-N 0 3 295.379 1.839 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273558564 365508154 /nfs/dbraw/zinc/50/81/54/365508154.db2.gz HNCUWXHGSMCPAL-NWDGAFQWSA-N 0 3 253.342 1.667 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)c2c1c(F)ccc2[O-] ZINC000530222000 368150436 /nfs/dbraw/zinc/15/04/36/368150436.db2.gz FLKUPMQSUGYZLY-CKYFFXLPSA-N 0 3 280.343 1.658 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000284291079 368510178 /nfs/dbraw/zinc/51/01/78/368510178.db2.gz IBTIXNSQSSRBEB-KGLIPLIRSA-N 0 3 278.396 1.588 20 10 CDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294852769 371377070 /nfs/dbraw/zinc/37/70/70/371377070.db2.gz VCNRILGFLZNNSR-LLVKDONJSA-N 0 3 261.369 1.509 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCO)c1[O-] ZINC000228674927 390937106 /nfs/dbraw/zinc/93/71/06/390937106.db2.gz PGYNXPXPSSIRSR-MRVPVSSYSA-N 0 3 259.733 1.915 20 10 CDCDHN COc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000121488695 390887610 /nfs/dbraw/zinc/88/76/10/390887610.db2.gz OPTUCJWAOWWUFE-CYBMUJFWSA-N 0 3 290.363 1.644 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000183628615 391267756 /nfs/dbraw/zinc/26/77/56/391267756.db2.gz HSTJVMHVNREZKL-VXGBXAGGSA-N 0 3 298.408 1.467 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1[O-] ZINC000168182119 391276230 /nfs/dbraw/zinc/27/62/30/391276230.db2.gz FVYSBMCRWXJYIB-YPMLDQLKSA-N 0 3 271.382 1.648 20 10 CDCDHN Oc1ccccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000361053451 391678657 /nfs/dbraw/zinc/67/86/57/391678657.db2.gz RKPNMZZNCDQSKM-ZBFHGGJFSA-N 0 3 276.380 1.423 20 10 CDCDHN Oc1ccc(F)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000361049748 391679047 /nfs/dbraw/zinc/67/90/47/391679047.db2.gz DNSXRQXSIVLANF-GOEBONIOSA-N 0 3 294.370 1.562 20 10 CDCDHN Cc1cc(O)c(CN2CCC[C@H](S(N)(=O)=O)C2)cc1C ZINC000372746600 391863793 /nfs/dbraw/zinc/86/37/93/391863793.db2.gz WVUNNSAABHHFRZ-ZDUSSCGKSA-N 0 3 298.408 1.262 20 10 CDCDHN COc1cccc(C[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000020125784 171008880 /nfs/dbraw/zinc/00/88/80/171008880.db2.gz LHSZYFQXJTVUOR-UHFFFAOYSA-N 0 3 252.358 1.831 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060299 174070966 /nfs/dbraw/zinc/07/09/66/174070966.db2.gz REUJDEVGAMGEQX-PWSUYJOCSA-N 0 3 267.325 1.467 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000154585780 261093450 /nfs/dbraw/zinc/09/34/50/261093450.db2.gz YCHDTGFHNOVNNA-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000154585780 261093451 /nfs/dbraw/zinc/09/34/51/261093451.db2.gz YCHDTGFHNOVNNA-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CN(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1F ZINC000158597683 261167865 /nfs/dbraw/zinc/16/78/65/261167865.db2.gz XFQONIKZZOCXOR-UHFFFAOYSA-N 0 3 279.359 1.589 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C[S@@](C)=O)c1[O-] ZINC000169096721 329063938 /nfs/dbraw/zinc/06/39/38/329063938.db2.gz NWAHGJXHOZKCBH-CVJBHZAOSA-N 0 3 291.800 1.911 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000263782990 520371745 /nfs/dbraw/zinc/37/17/45/520371745.db2.gz WBTBLCJQPTVPKK-GFCCVEGCSA-N 0 3 278.352 1.501 20 10 CDCDHN CC1CCN(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000042880386 521014123 /nfs/dbraw/zinc/01/41/23/521014123.db2.gz IUMRWRPVYRNLCX-UHFFFAOYSA-N 0 3 292.379 1.942 20 10 CDCDHN C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000277383707 522094012 /nfs/dbraw/zinc/09/40/12/522094012.db2.gz WPNVTNGNAVMCIE-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236914126 522326863 /nfs/dbraw/zinc/32/68/63/522326863.db2.gz ZHHNMLNAEMJXPC-NSHDSACASA-N 0 3 253.321 1.245 20 10 CDCDHN CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000279983207 522839393 /nfs/dbraw/zinc/83/93/93/522839393.db2.gz DTRKKJBNTGPDGU-GFCCVEGCSA-N 0 3 271.382 1.786 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000211400588 522844927 /nfs/dbraw/zinc/84/49/27/522844927.db2.gz XPPZYGRDRRWSEA-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000211400588 522844922 /nfs/dbraw/zinc/84/49/22/522844922.db2.gz XPPZYGRDRRWSEA-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(C)cc1[O-] ZINC000291885044 522907747 /nfs/dbraw/zinc/90/77/47/522907747.db2.gz JXTWQHDIVQKJJO-CMPLNLGQSA-N 0 3 250.342 1.876 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800740 524771701 /nfs/dbraw/zinc/77/17/01/524771701.db2.gz VMARKXLLIVRCGL-STQMWFEESA-N 0 3 293.411 1.297 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccccc1)OCO2 ZINC000042879722 526336700 /nfs/dbraw/zinc/33/67/00/526336700.db2.gz FMOFTYDDSWGDLN-CQSZACIVSA-N 0 3 287.315 1.944 20 10 CDCDHN Cc1cc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000747811060 574508818 /nfs/dbraw/zinc/50/88/18/574508818.db2.gz JUJHUBKYKNSLHY-CYBMUJFWSA-N 0 3 283.393 1.676 20 10 CDCDHN C[N@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000732203111 575083255 /nfs/dbraw/zinc/08/32/55/575083255.db2.gz LSXKYDQTRZYNQR-UHFFFAOYSA-N 0 3 258.321 1.686 20 10 CDCDHN C[N@@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000732203111 575083256 /nfs/dbraw/zinc/08/32/56/575083256.db2.gz LSXKYDQTRZYNQR-UHFFFAOYSA-N 0 3 258.321 1.686 20 10 CDCDHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000732289948 575087183 /nfs/dbraw/zinc/08/71/83/575087183.db2.gz FITOTHHJEHAJHL-JTQLQIEISA-N 0 3 266.366 1.668 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000732289948 575087184 /nfs/dbraw/zinc/08/71/84/575087184.db2.gz FITOTHHJEHAJHL-JTQLQIEISA-N 0 3 266.366 1.668 20 10 CDCDHN CNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613633 575133191 /nfs/dbraw/zinc/13/31/91/575133191.db2.gz FCQNYKDJKVLUHT-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN CNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613633 575133193 /nfs/dbraw/zinc/13/31/93/575133193.db2.gz FCQNYKDJKVLUHT-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=S)NCCN(C)C ZINC000734383880 575344629 /nfs/dbraw/zinc/34/46/29/575344629.db2.gz GTCGFIGAEKOGOV-UHFFFAOYSA-N 0 3 294.468 1.587 20 10 CDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000769534690 575357879 /nfs/dbraw/zinc/35/78/79/575357879.db2.gz YSWJQOOXXHPMQO-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000770395727 575445197 /nfs/dbraw/zinc/44/51/97/575445197.db2.gz UKXPYMDENSAIFY-BETUJISGSA-N 0 3 262.353 1.442 20 10 CDCDHN COCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768241188 576266585 /nfs/dbraw/zinc/26/65/85/576266585.db2.gz MDSTZPRNVWYDCJ-UHFFFAOYSA-N 0 3 282.359 1.741 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000769187825 576336704 /nfs/dbraw/zinc/33/67/04/576336704.db2.gz AMBFUPOAINIOSZ-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000769187825 576336705 /nfs/dbraw/zinc/33/67/05/576336705.db2.gz AMBFUPOAINIOSZ-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402908 576352125 /nfs/dbraw/zinc/35/21/25/576352125.db2.gz DSLZVHUNECJJEC-NSHDSACASA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402908 576352127 /nfs/dbraw/zinc/35/21/27/576352127.db2.gz DSLZVHUNECJJEC-NSHDSACASA-N 0 3 278.352 1.359 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCC[S@](C)=O)cc1C ZINC000742372127 576598598 /nfs/dbraw/zinc/59/85/98/576598598.db2.gz RJYCPTIAWZKQSI-KRWDZBQOSA-N 0 3 255.383 1.867 20 10 CDCDHN CCn1cnnc1CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000756733636 577002070 /nfs/dbraw/zinc/00/20/70/577002070.db2.gz RLLCQJAHOQTBEJ-LLVKDONJSA-N 0 3 290.367 1.906 20 10 CDCDHN C[C@@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000220331026 617709700 /nfs/dbraw/zinc/70/97/00/617709700.db2.gz JPVANDYIRPXECW-NOZJJQNGSA-N 0 3 254.305 1.079 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897261081 620449890 /nfs/dbraw/zinc/44/98/90/620449890.db2.gz BGVVWCSUEVWJLY-AWEZNQCLSA-N 0 3 277.364 1.898 20 10 CDCDHN CN(C)c1ccc(C[N@@H+]2CCCNC[C@@H]2C(=O)[O-])cc1 ZINC001606054300 1163757467 /nfs/dbraw/zinc/75/74/67/1163757467.db2.gz RNTMANHSUGMNMS-CQSZACIVSA-N 0 3 277.368 1.001 20 10 CDCDHN CN(C)c1ccc(C[N@H+]2CCCNC[C@@H]2C(=O)[O-])cc1 ZINC001606054300 1163757473 /nfs/dbraw/zinc/75/74/73/1163757473.db2.gz RNTMANHSUGMNMS-CQSZACIVSA-N 0 3 277.368 1.001 20 10 CDCDHN Cc1cc([O-])c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC001579638505 1172231767 /nfs/dbraw/zinc/23/17/67/1172231767.db2.gz ZTVMHHSFQFLUMJ-YGRLFVJLSA-N 0 3 284.787 1.902 20 10 CDCDHN Nc1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1 ZINC001580445772 1172437624 /nfs/dbraw/zinc/43/76/24/1172437624.db2.gz VKJHCWCZELQXLD-HNNXBMFYSA-N 0 3 267.332 1.922 20 10 CDCDHN CN1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000126353031 1175457271 /nfs/dbraw/zinc/45/72/71/1175457271.db2.gz KQDOPNIGLFAFCX-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN [O-]c1cccc(Cl)c1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087238 738442151 /nfs/dbraw/zinc/44/21/51/738442151.db2.gz RZVPKJGLOTTZFD-SNVBAGLBSA-N 0 3 270.760 1.514 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584767 736679112 /nfs/dbraw/zinc/67/91/12/736679112.db2.gz MMTWAWQXIMSIRF-LLVKDONJSA-N 0 3 268.332 1.342 20 10 CDCDHN CCN(CC)C(=O)CN[C@H](C)c1cccc(OC)c1O ZINC000846145752 736745367 /nfs/dbraw/zinc/74/53/67/736745367.db2.gz QBUSSRCLHROAGS-LLVKDONJSA-N 0 3 280.368 1.920 20 10 CDCDHN CCOc1ccc(O)c(CN2CC[C@@H](NC(C)=O)C2)c1 ZINC000817412866 736839294 /nfs/dbraw/zinc/83/92/94/736839294.db2.gz PUYNDOGADBJTDK-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000779102179 737047715 /nfs/dbraw/zinc/04/77/15/737047715.db2.gz RQKRFKATZFIHJE-NWDGAFQWSA-N 0 3 266.316 1.536 20 10 CDCDHN COCCN(C)C(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000871605731 738472786 /nfs/dbraw/zinc/47/27/86/738472786.db2.gz IIJSTLAFQBZGBN-UHFFFAOYSA-N 0 3 267.329 1.003 20 10 CDCDHN COC(=O)c1cnc(SC[C@H]2CCN(C)C2)s1 ZINC000829677714 737210660 /nfs/dbraw/zinc/21/06/60/737210660.db2.gz JCNJBZJLFSUXIY-QMMMGPOBSA-N 0 3 272.395 1.974 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000090721819 737226568 /nfs/dbraw/zinc/22/65/68/737226568.db2.gz CXMFOMKAMQTACE-AAEUAGOBSA-N 0 3 264.369 1.973 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000834908899 737681681 /nfs/dbraw/zinc/68/16/81/737681681.db2.gz MQOMFVQOMMBREQ-OTYXRUKQSA-N 0 3 266.316 1.851 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000858282240 737831972 /nfs/dbraw/zinc/83/19/72/737831972.db2.gz VHERMRRGFJZRMT-ZDUSSCGKSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000876950800 738122210 /nfs/dbraw/zinc/12/22/10/738122210.db2.gz WNPYIWJRYZXHQN-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN CN1CCN(Cc2cc(Cl)ccc2[O-])[C@H](C[NH3+])C1 ZINC000122543629 738372625 /nfs/dbraw/zinc/37/26/25/738372625.db2.gz BVQGBGHOSFMQGB-GFCCVEGCSA-N 0 3 269.776 1.120 20 10 CDCDHN O=C1NCC2(CC[NH+](Cc3ccccc3[O-])CC2)O1 ZINC000783722829 738807374 /nfs/dbraw/zinc/80/73/74/738807374.db2.gz ISSSQDRYOKIJPU-UHFFFAOYSA-N 0 3 262.309 1.467 20 10 CDCDHN COc1ccc(O)c(CN2CCCN(C=O)CC2)c1 ZINC000827872238 738860935 /nfs/dbraw/zinc/86/09/35/738860935.db2.gz RLZHGBYDMIUUII-UHFFFAOYSA-N 0 3 264.325 1.065 20 10 CDCDHN CC(C)[C@@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958462 738889252 /nfs/dbraw/zinc/88/92/52/738889252.db2.gz JVUHJPCKSJZMCY-CABZTGNLSA-N 0 3 267.329 1.934 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@H]2CCCNC2=O)cc1F ZINC000858177404 736599722 /nfs/dbraw/zinc/59/97/22/736599722.db2.gz KMUGWXNIMUVCCB-SNVBAGLBSA-N 0 3 297.349 1.647 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127496 736805989 /nfs/dbraw/zinc/80/59/89/736805989.db2.gz RRFQFIXYBNAJFS-ZWNOBZJWSA-N 0 3 250.317 1.715 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)N(C)C ZINC000840948917 737014733 /nfs/dbraw/zinc/01/47/33/737014733.db2.gz ZOCLOAHFLHMBBT-UHFFFAOYSA-N 0 3 299.440 1.042 20 10 CDCDHN CCc1cccc(CN2CC[C@H](S(=O)(=O)NC)C2)c1O ZINC000848889050 737204313 /nfs/dbraw/zinc/20/43/13/737204313.db2.gz DSFYZCIUNFBUBB-ZDUSSCGKSA-N 0 3 298.408 1.078 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1[O-] ZINC000842472861 737394142 /nfs/dbraw/zinc/39/41/42/737394142.db2.gz RILZOXBAYNKIHH-XHDPSFHLSA-N 0 3 292.354 1.918 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CNCCO2)c2c1c(F)ccc2[O-] ZINC000817984167 737460066 /nfs/dbraw/zinc/46/00/66/737460066.db2.gz VQYLDTYLKMEVSN-FOGDFJRCSA-N 0 3 280.343 1.658 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000876922327 738057398 /nfs/dbraw/zinc/05/73/98/738057398.db2.gz WCQVEGDKADEPIW-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN CCCCN(CC(N)=O)Cc1c(C)cccc1O ZINC000876616679 738161103 /nfs/dbraw/zinc/16/11/03/738161103.db2.gz SFYDJUQOIOGNID-UHFFFAOYSA-N 0 3 250.342 1.788 20 10 CDCDHN CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000858579171 738175865 /nfs/dbraw/zinc/17/58/65/738175865.db2.gz NLJAPNKYKNAZOH-BDAKNGLRSA-N 0 3 270.304 1.590 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110627 738322644 /nfs/dbraw/zinc/32/26/44/738322644.db2.gz YPWRGACRPJOBCQ-CQSZACIVSA-N 0 3 269.316 1.553 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000876578222 739051432 /nfs/dbraw/zinc/05/14/32/739051432.db2.gz FRYMBBXEXSWVTE-UHFFFAOYSA-N 0 3 292.379 1.021 20 10 CDCDHN CCCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825911 1165980460 /nfs/dbraw/zinc/98/04/60/1165980460.db2.gz GPUWKWBNVBSSKD-AWEZNQCLSA-N 0 3 263.385 1.886 20 10 CDCDHN C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636685 912900275 /nfs/dbraw/zinc/90/02/75/912900275.db2.gz YTUVAESGIGHMRD-WBMJQRKESA-N 0 3 279.380 1.879 20 10 CDCDHN C[C@@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636685 912900286 /nfs/dbraw/zinc/90/02/86/912900286.db2.gz YTUVAESGIGHMRD-WBMJQRKESA-N 0 3 279.380 1.879 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3ccncn3)CC2)c1 ZINC001140623972 897202004 /nfs/dbraw/zinc/20/20/04/897202004.db2.gz ZOWJPFLNYTYBAZ-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619527 914193115 /nfs/dbraw/zinc/19/31/15/914193115.db2.gz WPQUCSCGJSSVTJ-ZDUSSCGKSA-N 0 3 274.364 1.740 20 10 CDCDHN CCOc1ccc(O)c(CNCc2cncn2C)c1 ZINC000289730839 897934324 /nfs/dbraw/zinc/93/43/24/897934324.db2.gz GFBDKCREIVIGPK-UHFFFAOYSA-N 0 3 261.325 1.814 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000092643938 901930931 /nfs/dbraw/zinc/93/09/31/901930931.db2.gz HAYSAZLNKJHSBN-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000092643938 901930937 /nfs/dbraw/zinc/93/09/37/901930937.db2.gz HAYSAZLNKJHSBN-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001236034113 914606792 /nfs/dbraw/zinc/60/67/92/914606792.db2.gz YYSOXPAVXXBWHT-ZWNOBZJWSA-N 0 3 252.745 1.887 20 10 CDCDHN O=C1C[C@H]([NH2+]Cc2cccc(O)c2[O-])CCN1C1CC1 ZINC001172009800 911093607 /nfs/dbraw/zinc/09/36/07/911093607.db2.gz RQZRCULAUIWDJA-LLVKDONJSA-N 0 3 276.336 1.341 20 10 CDCDHN O=C1CC[C@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])CCN12 ZINC001172164992 911411116 /nfs/dbraw/zinc/41/11/16/911411116.db2.gz LRBIBFMZFJAZJA-RYUDHWBXSA-N 0 3 276.336 1.341 20 10 CDCDHN O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])CCN12 ZINC001172171474 911424094 /nfs/dbraw/zinc/42/40/94/911424094.db2.gz PECGBWQLCOXUQS-VXGBXAGGSA-N 0 3 276.336 1.341 20 10 CDCDHN CC[NH+]1C[C@@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137841689 936420601 /nfs/dbraw/zinc/42/06/01/936420601.db2.gz PYZFHWKOQPSBJV-VXGBXAGGSA-N 0 3 264.344 1.915 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775130602 920585879 /nfs/dbraw/zinc/58/58/79/920585879.db2.gz MQBKHMUXZRLLCG-OLZOCXBDSA-N 0 3 283.368 1.457 20 10 CDCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057083 936674773 /nfs/dbraw/zinc/67/47/73/936674773.db2.gz BKXXIPZLPYQZKG-KGLIPLIRSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057083 936674774 /nfs/dbraw/zinc/67/47/74/936674774.db2.gz BKXXIPZLPYQZKG-KGLIPLIRSA-N 0 3 269.316 1.097 20 10 CDCDHN Cc1ccc(C)c(CN2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001140181227 936684961 /nfs/dbraw/zinc/68/49/61/936684961.db2.gz QSPTZJOYRBIZHQ-FVQBIDKESA-N 0 3 291.391 1.981 20 10 CDCDHN CCN1CCN(c2ccc(CN(C)CC(C)=O)cc2)CC1 ZINC001140302455 936699572 /nfs/dbraw/zinc/69/95/72/936699572.db2.gz RLXJFRZSKKQYPI-UHFFFAOYSA-N 0 3 289.423 1.849 20 10 CDCDHN C[NH+](C)C[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140466070 936712221 /nfs/dbraw/zinc/71/22/21/936712221.db2.gz WAFNKDYJOOSIPN-CYBMUJFWSA-N 0 3 284.787 1.808 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)C2CCC2)cc1 ZINC000399001032 936712763 /nfs/dbraw/zinc/71/27/63/936712763.db2.gz SRYPTDLGRIOKQG-OAHLLOKOSA-N 0 3 275.396 1.838 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H]3C[C@H]2CN3C)c(OC)c1 ZINC001141030972 936794770 /nfs/dbraw/zinc/79/47/70/936794770.db2.gz SQBQIGDKIPIYBH-QWRGUYRKSA-N 0 3 278.352 1.298 20 10 CDCDHN CN1CCOc2cc(CN3CCc4nccn4CC3)ccc21 ZINC001141145190 936820259 /nfs/dbraw/zinc/82/02/59/936820259.db2.gz RLQSBNARPJDUGV-UHFFFAOYSA-N 0 3 298.390 1.770 20 10 CDCDHN CN1CCOc2cc(CN3CCC[C@@H](O)C3)ccc21 ZINC001141139062 936818640 /nfs/dbraw/zinc/81/86/40/936818640.db2.gz HPLRQMFRPVYLDM-CYBMUJFWSA-N 0 3 262.353 1.472 20 10 CDCDHN CN(C)C(=O)CCN(C)Cc1ccc(O)c(O)c1 ZINC001203878587 925159712 /nfs/dbraw/zinc/15/97/12/925159712.db2.gz DEHQFUQLFFPRDB-UHFFFAOYSA-N 0 3 252.314 1.008 20 10 CDCDHN COc1cc(CN(C)CCNC(C)=O)c(O)cc1C ZINC000842635258 937066503 /nfs/dbraw/zinc/06/65/03/937066503.db2.gz LRYDCZWFZUEQCG-UHFFFAOYSA-N 0 3 266.341 1.277 20 10 CDCDHN C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000692407166 937229352 /nfs/dbraw/zinc/22/93/52/937229352.db2.gz JQSAUNLZRWIFOK-NSHDSACASA-N 0 3 286.397 1.324 20 10 CDCDHN COc1cccc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862477917 929419004 /nfs/dbraw/zinc/41/90/04/929419004.db2.gz URAYCEJFWCASGP-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862477917 929419010 /nfs/dbraw/zinc/41/90/10/929419010.db2.gz URAYCEJFWCASGP-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN C[C@@H]([NH3+])[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132622034 930253163 /nfs/dbraw/zinc/25/31/63/930253163.db2.gz SQSAXGSSPIDUBF-NOZJJQNGSA-N 0 3 270.760 1.594 20 10 CDCDHN [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-] ZINC001148225301 932674070 /nfs/dbraw/zinc/67/40/70/932674070.db2.gz KIGJOCMQESDLLX-ZDUSSCGKSA-N 0 3 298.342 1.624 20 10 CDCDHN CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148587053 932753340 /nfs/dbraw/zinc/75/33/40/932753340.db2.gz BSKNVRHNBGQAFA-NSHDSACASA-N 0 3 294.351 1.358 20 10 CDCDHN CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148587053 932753345 /nfs/dbraw/zinc/75/33/45/932753345.db2.gz BSKNVRHNBGQAFA-NSHDSACASA-N 0 3 294.351 1.358 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001203604044 939695868 /nfs/dbraw/zinc/69/58/68/939695868.db2.gz ZZXGEHXYSHAIKE-GOEBONIOSA-N 0 3 295.379 1.356 20 10 CDCDHN COc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001203620793 939697145 /nfs/dbraw/zinc/69/71/45/939697145.db2.gz IGKSATVQOCINQG-GFCCVEGCSA-N 0 3 283.368 1.355 20 10 CDCDHN COc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001203620793 939697147 /nfs/dbraw/zinc/69/71/47/939697147.db2.gz IGKSATVQOCINQG-GFCCVEGCSA-N 0 3 283.368 1.355 20 10 CDCDHN COc1ccc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001203634584 939699135 /nfs/dbraw/zinc/69/91/35/939699135.db2.gz MTPSRPREJJVRGQ-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC001203634584 939699139 /nfs/dbraw/zinc/69/91/39/939699139.db2.gz MTPSRPREJJVRGQ-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN Oc1ccc(CN2CCC[C@@](O)(CF)CC2)cc1O ZINC001203875902 939710247 /nfs/dbraw/zinc/71/02/47/939710247.db2.gz YJFVQEFVZGBVFP-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882516 939711532 /nfs/dbraw/zinc/71/15/32/939711532.db2.gz KDKNHRQVIORHDN-JQWIXIFHSA-N 0 3 279.336 1.729 20 10 CDCDHN COc1cc(CN2CC[C@H](N(C)C(C)=O)C2)c(O)cc1O ZINC001231639007 942954371 /nfs/dbraw/zinc/95/43/71/942954371.db2.gz JVZVFDCXNABZSI-LBPRGKRZSA-N 0 3 294.351 1.159 20 10 CDCDHN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@@H]1O ZINC001233482736 943590411 /nfs/dbraw/zinc/59/04/11/943590411.db2.gz AFWWZGAXSZKTFK-WPRPVWTQSA-N 0 3 253.298 1.006 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@@H]1O ZINC001233482734 943591206 /nfs/dbraw/zinc/59/12/06/943591206.db2.gz AFWWZGAXSZKTFK-SCZZXKLOSA-N 0 3 253.298 1.006 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001237043154 944643931 /nfs/dbraw/zinc/64/39/31/944643931.db2.gz LWSCNNIARFHOTC-SMDDNHRTSA-N 0 3 290.363 1.359 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001237043154 944643939 /nfs/dbraw/zinc/64/39/39/944643939.db2.gz LWSCNNIARFHOTC-SMDDNHRTSA-N 0 3 290.363 1.359 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001237049532 944646289 /nfs/dbraw/zinc/64/62/89/944646289.db2.gz HKPKMNZZSWOEBD-CVEARBPZSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001237049532 944646295 /nfs/dbraw/zinc/64/62/95/944646295.db2.gz HKPKMNZZSWOEBD-CVEARBPZSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOC(=O)CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001254392835 947418188 /nfs/dbraw/zinc/41/81/88/947418188.db2.gz IZXVPDHBIYQIIS-UHFFFAOYSA-N 0 3 292.379 1.509 20 10 CDCDHN CCCN1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001304049635 956156668 /nfs/dbraw/zinc/15/66/68/956156668.db2.gz AYXUXGMCQAZUSO-CYBMUJFWSA-N 0 3 292.379 1.979 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC001308858367 956590158 /nfs/dbraw/zinc/59/01/58/956590158.db2.gz CVRRSHKXESYLSZ-MLGOLLRUSA-N 0 3 295.379 1.850 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001319706770 958695194 /nfs/dbraw/zinc/69/51/94/958695194.db2.gz CQHRNWLTZKEZGK-HNNXBMFYSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](C)(CO)C1 ZINC001319706770 958695200 /nfs/dbraw/zinc/69/52/00/958695200.db2.gz CQHRNWLTZKEZGK-HNNXBMFYSA-N 0 3 265.353 1.995 20 10 CDCDHN Nc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC001336286559 960287737 /nfs/dbraw/zinc/28/77/37/960287737.db2.gz SHEYJAAWBQLHAC-UHFFFAOYSA-N 0 3 288.395 1.649 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H]1CNCCN1C ZINC001340021552 962689850 /nfs/dbraw/zinc/68/98/50/962689850.db2.gz ZLKZKFLACSIUIK-CQSZACIVSA-N 0 3 291.395 1.034 20 10 CDCDHN NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000295574040 539055094 /nfs/dbraw/zinc/05/50/94/539055094.db2.gz AWQWRYSVBQGTIC-UHFFFAOYSA-N 0 3 273.380 1.784 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560047 357275724 /nfs/dbraw/zinc/27/57/24/357275724.db2.gz UPZPLJZNEKNXPL-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560047 357275728 /nfs/dbraw/zinc/27/57/28/357275728.db2.gz UPZPLJZNEKNXPL-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107785 358265263 /nfs/dbraw/zinc/26/52/63/358265263.db2.gz CMILDOFPBYEWJC-GFCCVEGCSA-N 0 3 292.379 1.902 20 10 CDCDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107785 358265267 /nfs/dbraw/zinc/26/52/67/358265267.db2.gz CMILDOFPBYEWJC-GFCCVEGCSA-N 0 3 292.379 1.902 20 10 CDCDHN CC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000131186171 358323792 /nfs/dbraw/zinc/32/37/92/358323792.db2.gz NMKFOTUHTKUVDK-UHFFFAOYSA-N 0 3 265.309 1.780 20 10 CDCDHN CCOc1ccc(O)c(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000364503662 358435872 /nfs/dbraw/zinc/43/58/72/358435872.db2.gz ANVLDDBHHLKWNJ-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825831 358733318 /nfs/dbraw/zinc/73/33/18/358733318.db2.gz XWJCIWMZQUDNME-FZMZJTMJSA-N 0 3 263.385 1.742 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@@]2(O)CCOC2)cc1F ZINC000270012878 364422961 /nfs/dbraw/zinc/42/29/61/364422961.db2.gz UUKDPOXJTAYVCF-INIZCTEOSA-N 0 3 296.386 1.913 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000281598994 367660890 /nfs/dbraw/zinc/66/08/90/367660890.db2.gz MANQKYPXSJEWQQ-ONGXEEELSA-N 0 3 257.305 1.579 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)CCOC)c1 ZINC000282132710 367739760 /nfs/dbraw/zinc/73/97/60/367739760.db2.gz GLLLPCGYNAWAIK-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN CCOc1cccc(CN[C@H](C)C(=O)NCCF)c1O ZINC000282780943 368036075 /nfs/dbraw/zinc/03/60/75/368036075.db2.gz VQDYSKFHUJEVQH-SNVBAGLBSA-N 0 3 284.331 1.355 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530223203 368151407 /nfs/dbraw/zinc/15/14/07/368151407.db2.gz HFJFPOPZCRZGPN-VXGBXAGGSA-N 0 3 250.342 1.340 20 10 CDCDHN CN1CCC(O)(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271876989 371083882 /nfs/dbraw/zinc/08/38/82/371083882.db2.gz ZPKOKZGWXSOILX-UHFFFAOYSA-N 0 3 284.787 1.592 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000294918707 371106043 /nfs/dbraw/zinc/10/60/43/371106043.db2.gz ASMYQMVGNGJCMW-LLVKDONJSA-N 0 3 267.325 1.678 20 10 CDCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000297933956 372037764 /nfs/dbraw/zinc/03/77/64/372037764.db2.gz XVAWBPZJBLATDO-ZFWWWQNUSA-N 0 3 289.423 1.605 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C1(CO)CCC1)OCO2 ZINC000133163831 390935110 /nfs/dbraw/zinc/93/51/10/390935110.db2.gz XSJPJIPWRWTBIJ-UHFFFAOYSA-N 0 3 251.282 1.126 20 10 CDCDHN COc1cccc(CN2CCCN(C(C)=O)CC2)c1O ZINC000133281452 390902870 /nfs/dbraw/zinc/90/28/70/390902870.db2.gz POENPRAKYSKBCN-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN C[C@H]1COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370187555 391090338 /nfs/dbraw/zinc/09/03/38/391090338.db2.gz XNBMHOHONWEZOJ-OAHLLOKOSA-N 0 3 290.407 1.992 20 10 CDCDHN Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+]CCOCCO ZINC000020198973 171062787 /nfs/dbraw/zinc/06/27/87/171062787.db2.gz GLOOUJWMGSDPGS-VXGBXAGGSA-N 0 3 265.353 1.847 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCn2ccnc2)c1 ZINC000020506072 171228370 /nfs/dbraw/zinc/22/83/70/171228370.db2.gz HFFANQGASJPCNB-UHFFFAOYSA-N 0 3 261.325 1.777 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000078638620 260168390 /nfs/dbraw/zinc/16/83/90/260168390.db2.gz MNKSUBBOFJJVEM-CABCVRRESA-N 0 3 276.380 1.653 20 10 CDCDHN C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000184921413 262300240 /nfs/dbraw/zinc/30/02/40/262300240.db2.gz AWURHKHSYJJMGB-SECBINFHSA-N 0 3 290.360 1.121 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000187825162 263269560 /nfs/dbraw/zinc/26/95/60/263269560.db2.gz ITYJSZBQVGCJNQ-DIFFPNOSSA-N 0 3 255.383 1.899 20 10 CDCDHN CN(C)c1ccc(CNCC2([S@](C)=O)CC2)cc1F ZINC000282220012 276883426 /nfs/dbraw/zinc/88/34/26/276883426.db2.gz DWEPSKKPZPMXBF-IBGZPJMESA-N 0 3 284.400 1.892 20 10 CDCDHN O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000378381684 329047949 /nfs/dbraw/zinc/04/79/49/329047949.db2.gz XDJTYSGWGZRIIK-CYBMUJFWSA-N 0 3 275.352 1.382 20 10 CDCDHN O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000378381684 329047950 /nfs/dbraw/zinc/04/79/50/329047950.db2.gz XDJTYSGWGZRIIK-CYBMUJFWSA-N 0 3 275.352 1.382 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000228065128 333294162 /nfs/dbraw/zinc/29/41/62/333294162.db2.gz QRKQBANJTJYEED-ZOWXZIJZSA-N 0 3 265.353 1.891 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000228094438 333294862 /nfs/dbraw/zinc/29/48/62/333294862.db2.gz JRSQOWXFMCJNRA-HZMBPMFUSA-N 0 3 267.325 1.030 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252667514 334384630 /nfs/dbraw/zinc/38/46/30/334384630.db2.gz KTEQJBKGUKNEFB-KBPBESRZSA-N 0 3 262.353 1.345 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252673816 334384836 /nfs/dbraw/zinc/38/48/36/334384836.db2.gz MNKSUBBOFJJVEM-LSDHHAIUSA-N 0 3 276.380 1.653 20 10 CDCDHN CCOCc1cc(CN[C@@H]2CC(=O)N(C)C2)ccc1OC ZINC000263789273 520186989 /nfs/dbraw/zinc/18/69/89/520186989.db2.gz XMTNDIBJDSGRIV-CQSZACIVSA-N 0 3 292.379 1.552 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1F ZINC000366346800 522202659 /nfs/dbraw/zinc/20/26/59/522202659.db2.gz MOQNOPBSARWWDD-CQSZACIVSA-N 0 3 283.322 1.210 20 10 CDCDHN CC[C@H]([NH2+]C[C@H](O)COC)c1ccc(C)cc1[O-] ZINC000280245556 522628924 /nfs/dbraw/zinc/62/89/24/522628924.db2.gz WGKSXEGTNDHLDC-AAEUAGOBSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)[C@H](C)CO)cc1OC ZINC000289498159 522772562 /nfs/dbraw/zinc/77/25/62/522772562.db2.gz SPPSSJMKMSUIMQ-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)[C@H](C)CO)cc1OC ZINC000289498159 522772569 /nfs/dbraw/zinc/77/25/69/522772569.db2.gz SPPSSJMKMSUIMQ-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc(O)c(CN(C)[C@H](C)CO)cc1OC ZINC000289498159 522772581 /nfs/dbraw/zinc/77/25/81/522772581.db2.gz SPPSSJMKMSUIMQ-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COCCOCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000071406750 523997831 /nfs/dbraw/zinc/99/78/31/523997831.db2.gz MQEVRMTXPDQMQL-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000195007475 524526993 /nfs/dbraw/zinc/52/69/93/524526993.db2.gz VAZFAXBPTPCLLY-PRHODGIISA-N 0 3 252.289 1.146 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119084 524764546 /nfs/dbraw/zinc/76/45/46/524764546.db2.gz QMFDOKJFJHEEDJ-LLVKDONJSA-N 0 3 261.325 1.948 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOCCO)c1 ZINC000020198841 524764576 /nfs/dbraw/zinc/76/45/76/524764576.db2.gz AADUJGMUHLXDMO-SNVBAGLBSA-N 0 3 255.314 1.060 20 10 CDCDHN Cc1ccc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274883986 525347368 /nfs/dbraw/zinc/34/73/68/525347368.db2.gz BYLVLUCEXJAQFP-UHFFFAOYSA-N 0 3 271.320 1.342 20 10 CDCDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1[O-] ZINC000282421697 525425125 /nfs/dbraw/zinc/42/51/25/525425125.db2.gz SRTNNNUDQYIAOH-BMLIUANNSA-N 0 3 253.367 1.954 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccccc1[O-] ZINC000278878951 525425988 /nfs/dbraw/zinc/42/59/88/525425988.db2.gz SIVNUPWJHPUDTH-COPLHBTASA-N 0 3 251.326 1.583 20 10 CDCDHN CSCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000069432870 525479485 /nfs/dbraw/zinc/47/94/85/525479485.db2.gz LVNVNGBZJKCUNF-UHFFFAOYSA-N 0 3 255.339 1.964 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000280516913 525958096 /nfs/dbraw/zinc/95/80/96/525958096.db2.gz QQKXQKXAMCPUPY-GFCCVEGCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000280516913 525958103 /nfs/dbraw/zinc/95/81/03/525958103.db2.gz QQKXQKXAMCPUPY-GFCCVEGCSA-N 0 3 251.326 1.604 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C1CCN(C3CC3)CC1)OCO2 ZINC000042880061 526337338 /nfs/dbraw/zinc/33/73/38/526337338.db2.gz GOZNWLMGUJCHPC-UHFFFAOYSA-N 0 3 290.363 1.837 20 10 CDCDHN Nc1ccc(CC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000044683257 527477960 /nfs/dbraw/zinc/47/79/60/527477960.db2.gz VZVRXPUIPPGJOF-CYBMUJFWSA-N 0 3 259.353 1.164 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000732229659 575084038 /nfs/dbraw/zinc/08/40/38/575084038.db2.gz UNVOOZDXPVXBEY-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000770672599 575484269 /nfs/dbraw/zinc/48/42/69/575484269.db2.gz ARPDNUAQWLZUOZ-HNNXBMFYSA-N 0 3 297.326 1.733 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCOCCO)c2c1c(F)ccc2[O-] ZINC000756360695 575793860 /nfs/dbraw/zinc/79/38/60/575793860.db2.gz DZJQJJDRAAUMPI-KOLCDFICSA-N 0 3 269.316 1.678 20 10 CDCDHN CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([O-])cs1 ZINC000768229156 576265814 /nfs/dbraw/zinc/26/58/14/576265814.db2.gz DESQNGGVIUFZTQ-LLVKDONJSA-N 0 3 286.397 1.540 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768462698 576287226 /nfs/dbraw/zinc/28/72/26/576287226.db2.gz BXVMTAOLFMAOIP-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768462698 576287227 /nfs/dbraw/zinc/28/72/27/576287227.db2.gz BXVMTAOLFMAOIP-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN O=C1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCN1 ZINC000769116788 576331773 /nfs/dbraw/zinc/33/17/73/576331773.db2.gz UAIFGRARXDDIOS-UHFFFAOYSA-N 0 3 270.332 1.867 20 10 CDCDHN O=C1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCN1 ZINC000769116788 576331775 /nfs/dbraw/zinc/33/17/75/576331775.db2.gz UAIFGRARXDDIOS-UHFFFAOYSA-N 0 3 270.332 1.867 20 10 CDCDHN COCCN(CCC(=O)OC)Cc1c(O)cccc1OC ZINC000769424985 576353444 /nfs/dbraw/zinc/35/34/44/576353444.db2.gz JTZIHRXHSVLQNV-UHFFFAOYSA-N 0 3 297.351 1.412 20 10 CDCDHN COC(=O)CC(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000741255238 576546628 /nfs/dbraw/zinc/54/66/28/576546628.db2.gz NMVWXGKUFLQPIB-UHFFFAOYSA-N 0 3 281.308 1.552 20 10 CDCDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)o1 ZINC000741262819 576547871 /nfs/dbraw/zinc/54/78/71/576547871.db2.gz WVYIRRZOFIBJMD-GFCCVEGCSA-N 0 3 291.303 1.846 20 10 CDCDHN COCCOC[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000742377145 576598930 /nfs/dbraw/zinc/59/89/30/576598930.db2.gz MYVHXZJAIPBBFY-NSHDSACASA-N 0 3 269.341 1.542 20 10 CDCDHN C[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000825986298 607519401 /nfs/dbraw/zinc/51/94/01/607519401.db2.gz XYMQRVYCFPFNCU-UHFFFAOYSA-N 0 3 296.334 1.599 20 10 CDCDHN C[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000825986298 607519402 /nfs/dbraw/zinc/51/94/02/607519402.db2.gz XYMQRVYCFPFNCU-UHFFFAOYSA-N 0 3 296.334 1.599 20 10 CDCDHN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CN)C2CC2)c1[O-] ZINC000843355062 617331165 /nfs/dbraw/zinc/33/11/65/617331165.db2.gz BCNIFGJKIQZNBR-OAHLLOKOSA-N 0 3 280.343 1.951 20 10 CDCDHN COC[C@]1(CNCc2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000841066600 618680132 /nfs/dbraw/zinc/68/01/32/618680132.db2.gz DDVCDBHGRBZFLT-CQSZACIVSA-N 0 3 284.787 1.904 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)CCC(N)=O)c([O-])c1 ZINC000896714833 620210989 /nfs/dbraw/zinc/21/09/89/620210989.db2.gz IQSJLGKVFMUYIZ-UHFFFAOYSA-N 0 3 266.341 1.488 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)CCC(N)=O)c([O-])c1 ZINC000896714833 620210991 /nfs/dbraw/zinc/21/09/91/620210991.db2.gz IQSJLGKVFMUYIZ-UHFFFAOYSA-N 0 3 266.341 1.488 20 10 CDCDHN C[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001579262756 1172128589 /nfs/dbraw/zinc/12/85/89/1172128589.db2.gz JVUOROOEKXWGGE-UHFFFAOYSA-N 0 3 296.334 1.599 20 10 CDCDHN C[N@@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001579262756 1172128591 /nfs/dbraw/zinc/12/85/91/1172128591.db2.gz JVUOROOEKXWGGE-UHFFFAOYSA-N 0 3 296.334 1.599 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CNCCO2)c(Cl)c1 ZINC001579638283 1172230619 /nfs/dbraw/zinc/23/06/19/1172230619.db2.gz UQYSVAZMGOPOKJ-CQSZACIVSA-N 0 3 284.787 1.822 20 10 CDCDHN COc1cccc(CN2CCN(C)[C@H](C)C2)c1O ZINC000133897002 1175809537 /nfs/dbraw/zinc/80/95/37/1175809537.db2.gz VTYBMFMTSLPGCO-LLVKDONJSA-N 0 3 250.342 1.537 20 10 CDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](CN)OC)cc1 ZINC000884180558 739425901 /nfs/dbraw/zinc/42/59/01/739425901.db2.gz CAIXHNTVKBHJIN-HNNXBMFYSA-N 0 3 293.411 1.465 20 10 CDCDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NC ZINC000825316873 740009550 /nfs/dbraw/zinc/00/95/50/740009550.db2.gz WLEZECDCFRRAJN-LBPRGKRZSA-N 0 3 267.348 1.506 20 10 CDCDHN Cc1cc(CN[C@@H]2C(=O)NCC[C@H]2C)ccc1N(C)C ZINC000815106860 740085949 /nfs/dbraw/zinc/08/59/49/740085949.db2.gz BVXPWFLMJQGWAY-ABAIWWIYSA-N 0 3 275.396 1.675 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000232644708 740244882 /nfs/dbraw/zinc/24/48/82/740244882.db2.gz HLZZKNNYJBQAHL-SECBINFHSA-N 0 3 254.305 1.534 20 10 CDCDHN CN(CC(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000881431334 740348087 /nfs/dbraw/zinc/34/80/87/740348087.db2.gz RAZXLUHQWYKEKY-UHFFFAOYSA-N 0 3 260.337 1.719 20 10 CDCDHN COc1ccc(CN[C@@H]2COCC[C@H]2OC)cc1C ZINC000724885125 740457759 /nfs/dbraw/zinc/45/77/59/740457759.db2.gz ZYSLOWMNHDBQPZ-UKRRQHHQSA-N 0 3 265.353 1.897 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@H]2COCCO2)c([O-])c1 ZINC000827140080 740480271 /nfs/dbraw/zinc/48/02/71/740480271.db2.gz HKXPUIRLOWGNPL-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@H]2COCCO2)c([O-])c1 ZINC000827140080 740480279 /nfs/dbraw/zinc/48/02/79/740480279.db2.gz HKXPUIRLOWGNPL-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCC2)c1 ZINC000135728535 740505122 /nfs/dbraw/zinc/50/51/22/740505122.db2.gz XQKZEAJQEGCBIS-NSHDSACASA-N 0 3 278.352 1.674 20 10 CDCDHN Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000848926775 740627470 /nfs/dbraw/zinc/62/74/70/740627470.db2.gz ZABWPABZABDOSY-NSHDSACASA-N 0 3 276.315 1.307 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000724869885 740706430 /nfs/dbraw/zinc/70/64/30/740706430.db2.gz BFRSKAXDJJIVCA-UKRRQHHQSA-N 0 3 263.337 1.515 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000809785566 740709903 /nfs/dbraw/zinc/70/99/03/740709903.db2.gz YLPXVOBBLBCBQX-NSHDSACASA-N 0 3 286.372 1.489 20 10 CDCDHN CO[C@@H](CN)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000884306763 740877340 /nfs/dbraw/zinc/87/73/40/740877340.db2.gz NODVAXKTMLZABL-HNNXBMFYSA-N 0 3 293.411 1.463 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCN1CCCO)CC2 ZINC000834851269 740967397 /nfs/dbraw/zinc/96/73/97/740967397.db2.gz WBTGTMCZIWTVGK-CABCVRRESA-N 0 3 290.407 1.816 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877798247 741046185 /nfs/dbraw/zinc/04/61/85/741046185.db2.gz JZAQUKTWJOZZJY-UHFFFAOYSA-N 0 3 269.316 1.098 20 10 CDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877049974 741297903 /nfs/dbraw/zinc/29/79/03/741297903.db2.gz WMLSAADOCAYHRS-GXFFZTMASA-N 0 3 255.383 1.903 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1F ZINC000862428996 741391156 /nfs/dbraw/zinc/39/11/56/741391156.db2.gz ZFPTZVUWTAFKQM-ZDUSSCGKSA-N 0 3 293.386 1.944 20 10 CDCDHN COc1ccc(N(C)CCN(C)C[C@H]2CCC(=O)O2)cc1 ZINC000852211529 741440041 /nfs/dbraw/zinc/44/00/41/741440041.db2.gz MJUIAYWBINCTRY-OAHLLOKOSA-N 0 3 292.379 1.769 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)[C@H](C)O ZINC000929753348 741745802 /nfs/dbraw/zinc/74/58/02/741745802.db2.gz NXBPINKQXZBPBB-FZMZJTMJSA-N 0 3 253.342 1.346 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)[C@H](C)O ZINC000929753348 741745823 /nfs/dbraw/zinc/74/58/23/741745823.db2.gz NXBPINKQXZBPBB-FZMZJTMJSA-N 0 3 253.342 1.346 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)NC(C)C ZINC000840928122 741775554 /nfs/dbraw/zinc/77/55/54/741775554.db2.gz KZTKXPHPNVWVOC-UHFFFAOYSA-N 0 3 263.385 1.675 20 10 CDCDHN CC[NH2+][C@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817972230 741823056 /nfs/dbraw/zinc/82/30/56/741823056.db2.gz KKZNAAJOMCLODN-GHMZBOCLSA-N 0 3 280.368 1.827 20 10 CDCDHN CCN[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817972230 741823057 /nfs/dbraw/zinc/82/30/57/741823057.db2.gz KKZNAAJOMCLODN-GHMZBOCLSA-N 0 3 280.368 1.827 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000817970870 741861415 /nfs/dbraw/zinc/86/14/15/741861415.db2.gz GNAFJKRNKBGUPO-GMXVVIOVSA-N 0 3 292.379 1.970 20 10 CDCDHN CC[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858086131 741870869 /nfs/dbraw/zinc/87/08/69/741870869.db2.gz BBVFYSQYXDRHNG-JTQLQIEISA-N 0 3 258.312 1.891 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000817970871 741877036 /nfs/dbraw/zinc/87/70/36/741877036.db2.gz GNAFJKRNKBGUPO-GVXVVHGQSA-N 0 3 292.379 1.970 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980857 742068223 /nfs/dbraw/zinc/06/82/23/742068223.db2.gz FBOPDOODSKXVCE-PWSUYJOCSA-N 0 3 295.339 1.330 20 10 CDCDHN CC[C@]1(O)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000779218552 739375619 /nfs/dbraw/zinc/37/56/19/739375619.db2.gz GTRBAELMAYVVAJ-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@]1(O)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000779218552 739375625 /nfs/dbraw/zinc/37/56/25/739375625.db2.gz GTRBAELMAYVVAJ-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036871268 739657697 /nfs/dbraw/zinc/65/76/97/739657697.db2.gz LHBNBBNRTNYSGI-AWEZNQCLSA-N 0 3 277.368 1.081 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000788536532 739868729 /nfs/dbraw/zinc/86/87/29/739868729.db2.gz PUEFYAHZRJNOHT-QMTHXVAHSA-N 0 3 267.325 1.030 20 10 CDCDHN CCN(C)c1ccc(CN(C)C[C@@H]2COCCO2)cc1 ZINC000852496203 739905741 /nfs/dbraw/zinc/90/57/41/739905741.db2.gz PYFGQVLSXJEOGL-MRXNPFEDSA-N 0 3 278.396 1.990 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1[O-] ZINC000848562495 740198909 /nfs/dbraw/zinc/19/89/09/740198909.db2.gz DTDFSVJMBHREPS-KOLCDFICSA-N 0 3 290.342 1.868 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H](OC)C2CC2)c([O-])c1 ZINC000393506145 740297300 /nfs/dbraw/zinc/29/73/00/740297300.db2.gz XDXGIBYHSVRGMW-AWEZNQCLSA-N 0 3 251.326 1.915 20 10 CDCDHN CC(=O)NC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876651522 740472286 /nfs/dbraw/zinc/47/22/86/740472286.db2.gz DJAIAYYGVOTXQP-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN OCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000305737388 741495234 /nfs/dbraw/zinc/49/52/34/741495234.db2.gz URWUHMYRXQLSEW-UHFFFAOYSA-N 0 3 294.370 1.619 20 10 CDCDHN COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649529 741826783 /nfs/dbraw/zinc/82/67/83/741826783.db2.gz VOWBOJSYVOWSCJ-XQQFMLRXSA-N 0 3 283.368 1.455 20 10 CDCDHN N[C@@H](CC(F)F)C(=O)NCCCSc1nccs1 ZINC000829528275 742254471 /nfs/dbraw/zinc/25/44/71/742254471.db2.gz NVGCBSHEEGWAIN-ZETCQYMHSA-N 0 3 295.380 1.724 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CC[S@](C)=O ZINC000877088227 742458862 /nfs/dbraw/zinc/45/88/62/742458862.db2.gz DHOGUKDYUIPSMZ-DIFFPNOSSA-N 0 3 255.383 1.947 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](N)C(C)C)c1 ZINC000817958406 742482973 /nfs/dbraw/zinc/48/29/73/742482973.db2.gz JMQJQNYXACZMDN-GXFFZTMASA-N 0 3 280.368 1.813 20 10 CDCDHN COc1ccc(C[NH2+]Cc2c(C)cnn2C)c([O-])c1 ZINC000394103529 742624481 /nfs/dbraw/zinc/62/44/81/742624481.db2.gz XUWZMQNLZWQSKO-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN CN(C)c1ccncc1NC(=O)Cc1ccc(N)cc1 ZINC000037013678 1165758008 /nfs/dbraw/zinc/75/80/08/1165758008.db2.gz YLPYLFCDUMNFHR-UHFFFAOYSA-N 0 3 270.336 1.911 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000780916297 899741197 /nfs/dbraw/zinc/74/11/97/899741197.db2.gz VCRMYRKNITVTON-LBPRGKRZSA-N 0 3 292.379 1.866 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c([O-])c1O ZINC000780916297 899741207 /nfs/dbraw/zinc/74/12/07/899741207.db2.gz VCRMYRKNITVTON-LBPRGKRZSA-N 0 3 292.379 1.866 20 10 CDCDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988519 921307229 /nfs/dbraw/zinc/30/72/29/921307229.db2.gz SVFNKKDRQZVFPI-ZDUSSCGKSA-N 0 3 290.363 1.446 20 10 CDCDHN O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])CCN12 ZINC001172146664 911357111 /nfs/dbraw/zinc/35/71/11/911357111.db2.gz MNUAXMICKGGYTQ-QWHCGFSZSA-N 0 3 260.337 1.635 20 10 CDCDHN Cc1ccc(C)c(CN2C[C@@H](F)C[C@H]2CO)c1O ZINC001140178846 936684380 /nfs/dbraw/zinc/68/43/80/936684380.db2.gz ZQUNMCXXXXFGTC-RYUDHWBXSA-N 0 3 253.317 1.914 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141029329 936794733 /nfs/dbraw/zinc/79/47/33/936794733.db2.gz PXZQZZSNSCGKSM-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141029329 936794734 /nfs/dbraw/zinc/79/47/34/936794734.db2.gz PXZQZZSNSCGKSM-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN CN1CCOc2cc(CN3C[C@@H]4CCO[C@@H]4C3)ccc21 ZINC001141144322 936819542 /nfs/dbraw/zinc/81/95/42/936819542.db2.gz ZRKGHNJKHMTZAC-XJKSGUPXSA-N 0 3 274.364 1.736 20 10 CDCDHN CC(=O)N(C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161509 936822946 /nfs/dbraw/zinc/82/29/46/936822946.db2.gz SSCFNWCCODYGPK-UHFFFAOYSA-N 0 3 278.352 1.541 20 10 CDCDHN CC(=O)N1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169559205 928173201 /nfs/dbraw/zinc/17/32/01/928173201.db2.gz DWZDHCWRCWUDPW-CYBMUJFWSA-N 0 3 260.337 1.371 20 10 CDCDHN CC(=O)N1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169559205 928173204 /nfs/dbraw/zinc/17/32/04/928173204.db2.gz DWZDHCWRCWUDPW-CYBMUJFWSA-N 0 3 260.337 1.371 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817952619 930644348 /nfs/dbraw/zinc/64/43/48/930644348.db2.gz RWIMDHOHGIXWFU-PWSUYJOCSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC000179896429 940834644 /nfs/dbraw/zinc/83/46/44/940834644.db2.gz BZXUVPMRFSNLBK-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC000179896429 940834647 /nfs/dbraw/zinc/83/46/47/940834647.db2.gz BZXUVPMRFSNLBK-LBPRGKRZSA-N 0 3 279.336 1.928 20 10 CDCDHN COc1cc(CN2CC(N3CCCC3)C2)c(O)cc1O ZINC001231635415 942950701 /nfs/dbraw/zinc/95/07/01/942950701.db2.gz IFGHZJHEIQHECT-UHFFFAOYSA-N 0 3 278.352 1.386 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](O)C1 ZINC001231848541 943028737 /nfs/dbraw/zinc/02/87/37/943028737.db2.gz IDOJLDRXOAJXKE-CQSZACIVSA-N 0 3 264.369 1.718 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Br)ccc1[O-])C2 ZINC001236016287 944373848 /nfs/dbraw/zinc/37/38/48/944373848.db2.gz PAVUBPHLSPULKE-BXKDBHETSA-N 0 3 283.169 1.688 20 10 CDCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236783679 944566811 /nfs/dbraw/zinc/56/68/11/944566811.db2.gz OECCWFXHHGUJJQ-CYBMUJFWSA-N 0 3 262.353 1.652 20 10 CDCDHN CCc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236783679 944566818 /nfs/dbraw/zinc/56/68/18/944566818.db2.gz OECCWFXHHGUJJQ-CYBMUJFWSA-N 0 3 262.353 1.652 20 10 CDCDHN COc1cc(C)c(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001236817538 944582552 /nfs/dbraw/zinc/58/25/52/944582552.db2.gz FCZBJRLWGSYQCZ-UHFFFAOYSA-N 0 3 263.337 1.666 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001237047175 944647294 /nfs/dbraw/zinc/64/72/94/944647294.db2.gz UBJIELWTLMAUHI-CQSZACIVSA-N 0 3 292.379 1.844 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001237047175 944647299 /nfs/dbraw/zinc/64/72/99/944647299.db2.gz UBJIELWTLMAUHI-CQSZACIVSA-N 0 3 292.379 1.844 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001237484316 944810106 /nfs/dbraw/zinc/81/01/06/944810106.db2.gz BHPBCZDJYOLVBQ-JGGQBBKZSA-N 0 3 277.364 1.672 20 10 CDCDHN COc1cc(CN2CCN(C(C)C)CC2)c(O)c(OC)c1 ZINC001237674636 944916966 /nfs/dbraw/zinc/91/69/66/944916966.db2.gz KCEKGPDCMYMLFJ-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN CCOC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC001256018508 948160421 /nfs/dbraw/zinc/16/04/21/948160421.db2.gz OFHAYBIBWQVAEK-NSHDSACASA-N 0 3 280.324 1.418 20 10 CDCDHN COC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258354498 948775716 /nfs/dbraw/zinc/77/57/16/948775716.db2.gz AJRZDLZHQBWUQA-VIFPVBQESA-N 0 3 253.298 1.529 20 10 CDCDHN CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CN(C)C1 ZINC001249215310 949459742 /nfs/dbraw/zinc/45/97/42/949459742.db2.gz ZZIRHDIIBNPWRZ-UHFFFAOYSA-N 0 3 292.379 1.244 20 10 CDCDHN CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CN(C)C1 ZINC001249215310 949459746 /nfs/dbraw/zinc/45/97/46/949459746.db2.gz ZZIRHDIIBNPWRZ-UHFFFAOYSA-N 0 3 292.379 1.244 20 10 CDCDHN CCN(Cc1ccc(CC(=O)OC)cc1O)C1CN(C)C1 ZINC001249215310 949459751 /nfs/dbraw/zinc/45/97/51/949459751.db2.gz ZZIRHDIIBNPWRZ-UHFFFAOYSA-N 0 3 292.379 1.244 20 10 CDCDHN Oc1ccc(CNC[C@@H](O)COc2ccccc2)cc1O ZINC001251243415 950673378 /nfs/dbraw/zinc/67/33/78/950673378.db2.gz QEZAOJADOQSKAR-CYBMUJFWSA-N 0 3 289.331 1.627 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC001308945762 956602200 /nfs/dbraw/zinc/60/22/00/956602200.db2.gz GFWOOQCEDVCEPP-BXUZGUMPSA-N 0 3 264.369 1.891 20 10 CDCDHN C[N@H+](CCCF)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001349957993 966542097 /nfs/dbraw/zinc/54/20/97/966542097.db2.gz GOJAUYCFWWKPBX-LBPRGKRZSA-N 0 3 255.289 1.609 20 10 CDCDHN C[N@@H+](CCCF)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001349957993 966542102 /nfs/dbraw/zinc/54/21/02/966542102.db2.gz GOJAUYCFWWKPBX-LBPRGKRZSA-N 0 3 255.289 1.609 20 10 CDCDHN C[C@H](NCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551039 356547956 /nfs/dbraw/zinc/54/79/56/356547956.db2.gz CWPIZKNZDVJVNS-NSHDSACASA-N 0 3 268.332 1.305 20 10 CDCDHN CC1(C)CN(CC[NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000180687179 357283298 /nfs/dbraw/zinc/28/32/98/357283298.db2.gz BMDJPTFYEIYNCU-UHFFFAOYSA-N 0 3 282.359 1.732 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000269998596 364415736 /nfs/dbraw/zinc/41/57/36/364415736.db2.gz QWEITKLCVWTUEX-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN COc1ccc(CN[C@@H](C)C[S@](C)=O)cc1C ZINC000168210746 364970045 /nfs/dbraw/zinc/97/00/45/364970045.db2.gz QFJPEUAHOYCPTI-APPDUMDISA-N 0 3 255.383 1.860 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC2CC2)c1 ZINC000182404935 365117003 /nfs/dbraw/zinc/11/70/03/365117003.db2.gz HSKRCYNRNFGRSK-SNVBAGLBSA-N 0 3 278.352 1.578 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273345870 365487191 /nfs/dbraw/zinc/48/71/91/365487191.db2.gz ASRWQOFVKKZRRN-MEDUHNTESA-N 0 3 295.379 1.839 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000281702436 367675902 /nfs/dbraw/zinc/67/59/02/367675902.db2.gz STTUCNDNAGZJOV-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1[O-] ZINC000272872624 296123837 /nfs/dbraw/zinc/12/38/37/296123837.db2.gz OYQFVJOKDYIGBA-OCCSQVGLSA-N 0 3 291.395 1.383 20 10 CDCDHN C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1[O-] ZINC000287728158 369290805 /nfs/dbraw/zinc/29/08/05/369290805.db2.gz YGFULZLAVXMMPP-LBPRGKRZSA-N 0 3 265.353 1.974 20 10 CDCDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000288194395 369415866 /nfs/dbraw/zinc/41/58/66/369415866.db2.gz CFOJFPXTXGIAFJ-RYUDHWBXSA-N 0 3 290.363 1.797 20 10 CDCDHN CCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCNC1=O ZINC000294047860 378621814 /nfs/dbraw/zinc/62/18/14/378621814.db2.gz JEEXVQIQPQDGNI-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN CCOc1cccc(CN(CCO)CCOC)c1O ZINC000093005792 390898953 /nfs/dbraw/zinc/89/89/53/390898953.db2.gz OZWZPCGYVFFRIO-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC(C)(C)O)cc1OC ZINC000182216719 391231873 /nfs/dbraw/zinc/23/18/73/391231873.db2.gz PSOBUYBDLSMTBM-UHFFFAOYSA-N 0 3 255.314 1.270 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)CSC)c1 ZINC000182430779 391235283 /nfs/dbraw/zinc/23/52/83/391235283.db2.gz WEMTZTRMZRWBPC-ZDUSSCGKSA-N 0 3 271.382 1.604 20 10 CDCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183249732 391257677 /nfs/dbraw/zinc/25/76/77/391257677.db2.gz DNEXAOYXCXECHT-LBPRGKRZSA-N 0 3 280.343 1.879 20 10 CDCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183249732 391257680 /nfs/dbraw/zinc/25/76/80/391257680.db2.gz DNEXAOYXCXECHT-LBPRGKRZSA-N 0 3 280.343 1.879 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)cc1OC ZINC000281910375 391423929 /nfs/dbraw/zinc/42/39/29/391423929.db2.gz ZYPNUPPPHPMESZ-FQEVSTJZSA-N 0 3 299.392 1.410 20 10 CDCDHN COc1cc(O)c(CN2CCC(C(N)=O)CC2)cc1OC ZINC000159468990 261187027 /nfs/dbraw/zinc/18/70/27/261187027.db2.gz SXNQYPWMBYTFJV-UHFFFAOYSA-N 0 3 294.351 1.107 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000183671774 261984476 /nfs/dbraw/zinc/98/44/76/261984476.db2.gz UWGWSHWAWWLUFN-OLZOCXBDSA-N 0 3 293.363 1.965 20 10 CDCDHN COc1cccc(C[NH+]2CCC(C)(CO)CC2)c1[O-] ZINC000184075111 262007158 /nfs/dbraw/zinc/00/71/58/262007158.db2.gz JOGXTMQYQOJTOP-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185467220 262305330 /nfs/dbraw/zinc/30/53/30/262305330.db2.gz KUIUMFHEWBPUMN-XHDPSFHLSA-N 0 3 283.368 1.839 20 10 CDCDHN CCOc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000187831287 263269650 /nfs/dbraw/zinc/26/96/50/263269650.db2.gz PVGKBRIJOXPROF-WYRIXSBYSA-N 0 3 285.409 1.990 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000377192948 268054827 /nfs/dbraw/zinc/05/48/27/268054827.db2.gz MUNFHCPWVBFJBS-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000377192948 268054831 /nfs/dbraw/zinc/05/48/31/268054831.db2.gz MUNFHCPWVBFJBS-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000111232895 290399375 /nfs/dbraw/zinc/39/93/75/290399375.db2.gz NJFWSFXJWNQDBF-AWEZNQCLSA-N 0 3 292.379 1.509 20 10 CDCDHN CNC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000111232895 290399376 /nfs/dbraw/zinc/39/93/76/290399376.db2.gz NJFWSFXJWNQDBF-AWEZNQCLSA-N 0 3 292.379 1.509 20 10 CDCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000228932960 333298992 /nfs/dbraw/zinc/29/89/92/333298992.db2.gz IUVGXEUDAGGSPL-WCQYABFASA-N 0 3 290.363 1.654 20 10 CDCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000228932960 333298993 /nfs/dbraw/zinc/29/89/93/333298993.db2.gz IUVGXEUDAGGSPL-WCQYABFASA-N 0 3 290.363 1.654 20 10 CDCDHN CCc1cccc(CN(CC(N)=O)C(C)C)c1O ZINC000821984171 1161925557 /nfs/dbraw/zinc/92/55/57/1161925557.db2.gz UPDFOBGAWHOCIR-UHFFFAOYSA-N 0 3 250.342 1.650 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CO)COC)cc1 ZINC000281000316 520288112 /nfs/dbraw/zinc/28/81/12/520288112.db2.gz NODALVIACUYEJO-TZMCWYRMSA-N 0 3 266.385 1.801 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000157179820 520351617 /nfs/dbraw/zinc/35/16/17/520351617.db2.gz DVUPYOTVVBXMPM-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000157179820 520351623 /nfs/dbraw/zinc/35/16/23/520351623.db2.gz DVUPYOTVVBXMPM-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(CN[C@H]2COC[C@@H]2OC)c1O ZINC000289814512 521375776 /nfs/dbraw/zinc/37/57/76/521375776.db2.gz NGAUFQHCHGQILA-AAEUAGOBSA-N 0 3 267.325 1.294 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@]1(F)CCNC1 ZINC000363750650 521689490 /nfs/dbraw/zinc/68/94/90/521689490.db2.gz NUTACOVRFNVAKP-HNNXBMFYSA-N 0 3 280.343 1.832 20 10 CDCDHN COC[C@@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000227706685 522299233 /nfs/dbraw/zinc/29/92/33/522299233.db2.gz PSUJEJKKDPIXHM-LLVKDONJSA-N 0 3 255.314 1.152 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCO1 ZINC000278784940 522747047 /nfs/dbraw/zinc/74/70/47/522747047.db2.gz ZQBGMNAXIKVBSP-WCQYABFASA-N 0 3 295.335 1.405 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000071264712 522805487 /nfs/dbraw/zinc/80/54/87/522805487.db2.gz KRWZMSONFIPEKQ-NXEZZACHSA-N 0 3 255.314 1.059 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040775110 524755229 /nfs/dbraw/zinc/75/52/29/524755229.db2.gz QFUUEVHBSNTJBV-LBPRGKRZSA-N 0 3 253.342 1.897 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800937 525365754 /nfs/dbraw/zinc/36/57/54/525365754.db2.gz ROCNVGCTTHTGLE-KBPBESRZSA-N 0 3 277.412 1.597 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1[O-] ZINC000040773813 526030895 /nfs/dbraw/zinc/03/08/95/526030895.db2.gz KZYMSSNALYIBIJ-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN COc1cccc(C[NH2+][C@H](CO)CC(C)C)c1[O-] ZINC000040773811 526035779 /nfs/dbraw/zinc/03/57/79/526035779.db2.gz KZYMSSNALYIBIJ-LBPRGKRZSA-N 0 3 253.342 1.897 20 10 CDCDHN Cc1cc(C(=O)N2CCCNCC2)c(C)n1-c1ccccn1 ZINC000237685915 526245429 /nfs/dbraw/zinc/24/54/29/526245429.db2.gz RJIUYYFWWHMDCS-UHFFFAOYSA-N 0 3 298.390 1.925 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000753586848 574903724 /nfs/dbraw/zinc/90/37/24/574903724.db2.gz KOJBLQHVBWRJCS-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c([O-])cccc1OC ZINC000765794532 576056123 /nfs/dbraw/zinc/05/61/23/576056123.db2.gz DBYUWEQVNRPQIZ-ZYHUDNBSSA-N 0 3 278.352 1.405 20 10 CDCDHN C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462447 576286698 /nfs/dbraw/zinc/28/66/98/576286698.db2.gz LMTKLDPXELFCSG-QMTHXVAHSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@@H]1COCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462447 576286700 /nfs/dbraw/zinc/28/67/00/576286700.db2.gz LMTKLDPXELFCSG-QMTHXVAHSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769447827 576354843 /nfs/dbraw/zinc/35/48/43/576354843.db2.gz XYDCAIIWOJCPMX-MRXNPFEDSA-N 0 3 276.380 1.744 20 10 CDCDHN CCc1nncn1CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000756618566 576997379 /nfs/dbraw/zinc/99/73/79/576997379.db2.gz CQBAVLLHCJPMKO-NSHDSACASA-N 0 3 290.367 1.906 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895316382 619545938 /nfs/dbraw/zinc/54/59/38/619545938.db2.gz IFFRDAJPIBPUEU-CYBMUJFWSA-N 0 3 261.369 1.367 20 10 CDCDHN COC(=O)c1coc(CNCCc2ccc(N)cc2)c1 ZINC000841033771 621037295 /nfs/dbraw/zinc/03/72/95/621037295.db2.gz APWBAIZUAXJJJN-UHFFFAOYSA-N 0 3 274.320 1.981 20 10 CDCDHN CC[C@@H](C)C[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000911783038 629500049 /nfs/dbraw/zinc/50/00/49/629500049.db2.gz OYVKMDNEEZLCQI-RISCZKNCSA-N 0 3 263.385 1.691 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000876720612 743155742 /nfs/dbraw/zinc/15/57/42/743155742.db2.gz HWDBFIGOKDMCBQ-ZDUSSCGKSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000876720612 743155773 /nfs/dbraw/zinc/15/57/73/743155773.db2.gz HWDBFIGOKDMCBQ-ZDUSSCGKSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCS(C)(=O)=O ZINC000877016121 745072900 /nfs/dbraw/zinc/07/29/00/745072900.db2.gz IDSNKTLHCIOTFD-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN COCCN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876987028 745586423 /nfs/dbraw/zinc/58/64/23/745586423.db2.gz PWHKSCIREQLRHE-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CC)C(=O)NC)c([O-])c1 ZINC000825316544 745820531 /nfs/dbraw/zinc/82/05/31/745820531.db2.gz PPQHZWVSZZJSPF-GFCCVEGCSA-N 0 3 266.341 1.405 20 10 CDCDHN COC[C@@H](CO)NCc1ccc(N(C)C)cc1C ZINC000840940841 745841384 /nfs/dbraw/zinc/84/13/84/745841384.db2.gz HUPRVEARDQORTJ-CYBMUJFWSA-N 0 3 252.358 1.158 20 10 CDCDHN CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647338 746523981 /nfs/dbraw/zinc/52/39/81/746523981.db2.gz BCNDBAFOJISWGJ-GHMZBOCLSA-N 0 3 250.342 1.958 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH3+])C[C@H]2C)c1[O-] ZINC000866684439 746750953 /nfs/dbraw/zinc/75/09/53/746750953.db2.gz YVFBBWXHCXSFBF-PRHODGIISA-N 0 3 266.316 1.655 20 10 CDCDHN Oc1cc2c(cc1CN[C@H]1c3ccccc3C[C@@H]1O)OCO2 ZINC000119193606 746821646 /nfs/dbraw/zinc/82/16/46/746821646.db2.gz QJEJFGNJGAKDFT-YOEHRIQHSA-N 0 3 299.326 1.869 20 10 CDCDHN CCCCN(CCS(N)(=O)=O)Cc1ccccc1O ZINC000801595123 746836920 /nfs/dbraw/zinc/83/69/20/746836920.db2.gz IRQMIMUNCHLEMC-UHFFFAOYSA-N 0 3 286.397 1.283 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834903588 746849404 /nfs/dbraw/zinc/84/94/04/746849404.db2.gz IZEMHGFDPKCZDD-MRCXROJRSA-N 0 3 269.316 1.986 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876996435 746850843 /nfs/dbraw/zinc/85/08/43/746850843.db2.gz VDMZRZNGHOCGLE-UHFFFAOYSA-N 0 3 252.358 1.368 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COCC1CC1 ZINC000877000183 746884616 /nfs/dbraw/zinc/88/46/16/746884616.db2.gz LGYGKGVSKUWILO-ZDUSSCGKSA-N 0 3 265.353 1.578 20 10 CDCDHN C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981627 747031352 /nfs/dbraw/zinc/03/13/52/747031352.db2.gz MDGLMWSXNSWLSE-GXSJLCMTSA-N 0 3 286.322 1.700 20 10 CDCDHN C[C@H](CCO)NCc1cc(F)c(N(C)C)cc1F ZINC000858140712 747055101 /nfs/dbraw/zinc/05/51/01/747055101.db2.gz DGOADAXCQDOGDB-SECBINFHSA-N 0 3 258.312 1.891 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636681 747171689 /nfs/dbraw/zinc/17/16/89/747171689.db2.gz YTUVAESGIGHMRD-BLLLJJGKSA-N 0 3 279.380 1.879 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636681 747171703 /nfs/dbraw/zinc/17/17/03/747171703.db2.gz YTUVAESGIGHMRD-BLLLJJGKSA-N 0 3 279.380 1.879 20 10 CDCDHN Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)C)c([O-])c1 ZINC000877023545 747284505 /nfs/dbraw/zinc/28/45/05/747284505.db2.gz VRVLZUYLEGCLFQ-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000840952246 747338608 /nfs/dbraw/zinc/33/86/08/747338608.db2.gz XRXXKNYGGYZCKY-HZPDHXFCSA-N 0 3 278.396 1.955 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000877099264 747472826 /nfs/dbraw/zinc/47/28/26/747472826.db2.gz DUXVZDYOIDJVLG-SWLSCSKDSA-N 0 3 264.369 1.509 20 10 CDCDHN CN(C)c1cc(F)c(CNC(C)(C)CO)cc1F ZINC000858133810 747514973 /nfs/dbraw/zinc/51/49/73/747514973.db2.gz ZAACLRVFUKZNPH-UHFFFAOYSA-N 0 3 258.312 1.891 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000877424924 747592809 /nfs/dbraw/zinc/59/28/09/747592809.db2.gz TVTJFJRLAWKBMS-GFCCVEGCSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000877424924 747592833 /nfs/dbraw/zinc/59/28/33/747592833.db2.gz TVTJFJRLAWKBMS-GFCCVEGCSA-N 0 3 258.325 1.739 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000083460764 747617753 /nfs/dbraw/zinc/61/77/53/747617753.db2.gz NQBUXEAUJSYXEJ-CQSZACIVSA-N 0 3 263.385 1.886 20 10 CDCDHN CCc1cccc(CN(C)CCNC(=O)N(C)C)c1O ZINC000848901397 747898714 /nfs/dbraw/zinc/89/87/14/747898714.db2.gz ZGXIBVUFISLWIR-UHFFFAOYSA-N 0 3 279.384 1.658 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000825311654 748330682 /nfs/dbraw/zinc/33/06/82/748330682.db2.gz MBDUISXXMRTICQ-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000825311654 748330692 /nfs/dbraw/zinc/33/06/92/748330692.db2.gz MBDUISXXMRTICQ-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN CON1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC000835076816 748907597 /nfs/dbraw/zinc/90/75/97/748907597.db2.gz VYZWQYAQQIGXRP-UHFFFAOYSA-N 0 3 250.342 1.850 20 10 CDCDHN CON1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000835076816 748907602 /nfs/dbraw/zinc/90/76/02/748907602.db2.gz VYZWQYAQQIGXRP-UHFFFAOYSA-N 0 3 250.342 1.850 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000797605720 749309003 /nfs/dbraw/zinc/30/90/03/749309003.db2.gz VWCFGJKKWZOKFP-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000797605720 749309011 /nfs/dbraw/zinc/30/90/11/749309011.db2.gz VWCFGJKKWZOKFP-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN CC(C)(C)c1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001235673802 914280629 /nfs/dbraw/zinc/28/06/29/914280629.db2.gz ACYJMRKSHCSTOG-AWEZNQCLSA-N 0 3 279.380 1.883 20 10 CDCDHN N[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@H]1F ZINC001204836920 907610774 /nfs/dbraw/zinc/61/07/74/907610774.db2.gz LYPHVUDZJILWLW-ZJUUUORDSA-N 0 3 278.249 1.892 20 10 CDCDHN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172597979 911763785 /nfs/dbraw/zinc/76/37/85/911763785.db2.gz PZJYHUUZIDZEOG-CMPLNLGQSA-N 0 3 279.336 1.919 20 10 CDCDHN [O-]c1ccccc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001203552194 919343361 /nfs/dbraw/zinc/34/33/61/919343361.db2.gz DMWYJOPBRIBHMM-GJZGRUSLSA-N 0 3 296.374 1.750 20 10 CDCDHN CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001139409530 936618250 /nfs/dbraw/zinc/61/82/50/936618250.db2.gz MBMRMBTXEYOLHC-IRXDYDNUSA-N 0 3 287.407 1.412 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055432 936674580 /nfs/dbraw/zinc/67/45/80/936674580.db2.gz XZTXXRDVKNYNLZ-LLVKDONJSA-N 0 3 280.343 1.832 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055432 936674581 /nfs/dbraw/zinc/67/45/81/936674581.db2.gz XZTXXRDVKNYNLZ-LLVKDONJSA-N 0 3 280.343 1.832 20 10 CDCDHN CN(C)C(=O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140059152 936674873 /nfs/dbraw/zinc/67/48/73/936674873.db2.gz VZANVLJFWWHWQQ-UHFFFAOYSA-N 0 3 254.305 1.441 20 10 CDCDHN CN(C)C(=O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140059152 936674874 /nfs/dbraw/zinc/67/48/74/936674874.db2.gz VZANVLJFWWHWQQ-UHFFFAOYSA-N 0 3 254.305 1.441 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CCC(=O)N(C)C)c(OC)c1 ZINC001141029025 936795102 /nfs/dbraw/zinc/79/51/02/936795102.db2.gz HXKRJTUAOPYWFU-UHFFFAOYSA-N 0 3 296.367 1.320 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CCC(=O)N(C)C)c(OC)c1 ZINC001141029025 936795105 /nfs/dbraw/zinc/79/51/05/936795105.db2.gz HXKRJTUAOPYWFU-UHFFFAOYSA-N 0 3 296.367 1.320 20 10 CDCDHN Oc1ccc(O)c(CN2CC[C@H](Oc3ncccn3)C2)c1 ZINC001141162934 936823795 /nfs/dbraw/zinc/82/37/95/936823795.db2.gz LHEUKGSNBQXABN-ZDUSSCGKSA-N 0 3 287.319 1.541 20 10 CDCDHN CC(C)(C(=O)NCc1ccc(O)cc1O)N1CCCCC1 ZINC000828912052 926206382 /nfs/dbraw/zinc/20/63/82/926206382.db2.gz ITBKGWQBSHDLQB-UHFFFAOYSA-N 0 3 292.379 1.979 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697619641 937284763 /nfs/dbraw/zinc/28/47/63/937284763.db2.gz FJFMZESZXUCJSY-NXEZZACHSA-N 0 3 257.355 1.476 20 10 CDCDHN COc1cccc([C@H](C)NCc2cnn(C)c2)c1O ZINC000846142987 931987053 /nfs/dbraw/zinc/98/70/53/931987053.db2.gz GWNUESTWBGSCES-JTQLQIEISA-N 0 3 261.325 1.985 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001253704788 935853403 /nfs/dbraw/zinc/85/34/03/935853403.db2.gz VILRGGQMIQAYGU-GWCFXTLKSA-N 0 3 281.352 1.745 20 10 CDCDHN CN1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1 ZINC001156597536 938391397 /nfs/dbraw/zinc/39/13/97/938391397.db2.gz JVBRBDKRVDLDMH-CYBMUJFWSA-N 0 3 278.352 1.097 20 10 CDCDHN CC1(C[NH3+])CN(Cc2cc(Br)ccc2[O-])C1 ZINC001206712248 939600884 /nfs/dbraw/zinc/60/08/84/939600884.db2.gz YPUVZXUWXSPMDQ-UHFFFAOYSA-N 0 3 285.185 1.935 20 10 CDCDHN O=C1NCCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556442 939693569 /nfs/dbraw/zinc/69/35/69/939693569.db2.gz PPKQNBXOMIJHBA-UHFFFAOYSA-N 0 3 274.364 1.884 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882531 939711660 /nfs/dbraw/zinc/71/16/60/939711660.db2.gz KOCQYAAXCWQOID-GFCCVEGCSA-N 0 3 278.352 1.398 20 10 CDCDHN CN(C)c1ccc(CN2CCC(=O)N3CCC[C@@H]3C2)cc1 ZINC001203936834 939715211 /nfs/dbraw/zinc/71/52/11/939715211.db2.gz OYNJGPUWHAECJY-MRXNPFEDSA-N 0 3 287.407 1.949 20 10 CDCDHN CCCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278905 939752519 /nfs/dbraw/zinc/75/25/19/939752519.db2.gz MOJUWVCZWGYOIP-UHFFFAOYSA-N 0 3 250.342 1.625 20 10 CDCDHN COCOCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209032187 940427805 /nfs/dbraw/zinc/42/78/05/940427805.db2.gz QCRWHFPVOFDAPB-UHFFFAOYSA-N 0 3 251.326 1.761 20 10 CDCDHN COCOCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209032187 940427807 /nfs/dbraw/zinc/42/78/07/940427807.db2.gz QCRWHFPVOFDAPB-UHFFFAOYSA-N 0 3 251.326 1.761 20 10 CDCDHN NC[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217700339 941005993 /nfs/dbraw/zinc/00/59/93/941005993.db2.gz BLBYOFMKZRTBQX-LBPRGKRZSA-N 0 3 269.308 1.486 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502602 941604742 /nfs/dbraw/zinc/60/47/42/941604742.db2.gz NNZJVBGMKSWGMX-KBPBESRZSA-N 0 3 295.814 1.571 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236783605 944566919 /nfs/dbraw/zinc/56/69/19/944566919.db2.gz MXYQMFQNCOAVAR-HOTGVXAUSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236783605 944566924 /nfs/dbraw/zinc/56/69/24/944566924.db2.gz MXYQMFQNCOAVAR-HOTGVXAUSA-N 0 3 279.380 1.520 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCC(=O)OC)c([O-])c1 ZINC001237046660 944647551 /nfs/dbraw/zinc/64/75/51/944647551.db2.gz PQEZAELAINLJLS-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCC(=O)OC)c([O-])c1 ZINC001237046660 944647561 /nfs/dbraw/zinc/64/75/61/944647561.db2.gz PQEZAELAINLJLS-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001237681025 944923458 /nfs/dbraw/zinc/92/34/58/944923458.db2.gz KJLXFBWHYTULFT-HIFRSBDPSA-N 0 3 299.798 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001249173818 949439597 /nfs/dbraw/zinc/43/95/97/949439597.db2.gz XFAPKEHRKLQGBD-RISCZKNCSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001249173818 949439621 /nfs/dbraw/zinc/43/96/21/949439621.db2.gz XFAPKEHRKLQGBD-RISCZKNCSA-N 0 3 293.363 1.453 20 10 CDCDHN C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001341122008 963285134 /nfs/dbraw/zinc/28/51/34/963285134.db2.gz ALIIFUNQUDVKBJ-JTNORFRNSA-N 0 3 278.327 1.559 20 10 CDCDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC001575006633 1171080309 /nfs/dbraw/zinc/08/03/09/1171080309.db2.gz OZUDAHSNVFLUDO-OAHLLOKOSA-N 0 3 261.369 1.759 20 10 CDCDHN COc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000295116717 199354459 /nfs/dbraw/zinc/35/44/59/199354459.db2.gz MNGLCUSZKWJWEW-AWEZNQCLSA-N 0 3 294.395 1.337 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2CN(C)CCN2C)cc1 ZINC000225328915 363088474 /nfs/dbraw/zinc/08/84/74/363088474.db2.gz NWHPCOUEXRYQBC-INIZCTEOSA-N 0 3 276.428 1.088 20 10 CDCDHN CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020092044 358324908 /nfs/dbraw/zinc/32/49/08/358324908.db2.gz SESPTDWOOCYTJT-ZDUSSCGKSA-N 0 3 264.369 1.975 20 10 CDCDHN COc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1O ZINC000270566159 364656523 /nfs/dbraw/zinc/65/65/23/364656523.db2.gz RVIXBLZJIWGERK-LLVKDONJSA-N 0 3 279.258 1.804 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@H](O)C2)c1 ZINC000271028737 364881763 /nfs/dbraw/zinc/88/17/63/364881763.db2.gz XKVPOOHLRWQKIU-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000271028737 364881769 /nfs/dbraw/zinc/88/17/69/364881769.db2.gz XKVPOOHLRWQKIU-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000271028737 364881777 /nfs/dbraw/zinc/88/17/77/364881777.db2.gz XKVPOOHLRWQKIU-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272334908 365193768 /nfs/dbraw/zinc/19/37/68/365193768.db2.gz XDKUVOHWVGXBJN-VIFPVBQESA-N 0 3 253.273 1.526 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272334908 365193774 /nfs/dbraw/zinc/19/37/74/365193774.db2.gz XDKUVOHWVGXBJN-VIFPVBQESA-N 0 3 253.273 1.526 20 10 CDCDHN Cc1ccc([C@H](C)NCCS(C)(=O)=O)c(O)c1C ZINC000273603187 365512236 /nfs/dbraw/zinc/51/22/36/365512236.db2.gz SNCPPWXHIGGMRI-NSHDSACASA-N 0 3 271.382 1.704 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCN(C)C1 ZINC000525217641 367717176 /nfs/dbraw/zinc/71/71/76/367717176.db2.gz JQHLMCSCXMERRX-LBPRGKRZSA-N 0 3 289.379 1.430 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296243940 371419677 /nfs/dbraw/zinc/41/96/77/371419677.db2.gz AXIHOWWINNCHOU-PWSUYJOCSA-N 0 3 262.353 1.836 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000186299889 378846398 /nfs/dbraw/zinc/84/63/98/378846398.db2.gz MRFQEZFFZWZTEZ-OCCSQVGLSA-N 0 3 251.326 1.584 20 10 CDCDHN CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185331380 262050615 /nfs/dbraw/zinc/05/06/15/262050615.db2.gz PUBXUVHXALTTNF-SECBINFHSA-N 0 3 275.345 1.617 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000118963387 390837779 /nfs/dbraw/zinc/83/77/79/390837779.db2.gz FAURFZADOUOJJG-CYBMUJFWSA-N 0 3 276.380 1.967 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000118963387 390837780 /nfs/dbraw/zinc/83/77/80/390837780.db2.gz FAURFZADOUOJJG-CYBMUJFWSA-N 0 3 276.380 1.967 20 10 CDCDHN CNC(=O)CC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000179409394 391204639 /nfs/dbraw/zinc/20/46/39/391204639.db2.gz ZPJNKUHWKUXAKA-UHFFFAOYSA-N 0 3 250.342 1.577 20 10 CDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000179409394 391204640 /nfs/dbraw/zinc/20/46/40/391204640.db2.gz ZPJNKUHWKUXAKA-UHFFFAOYSA-N 0 3 250.342 1.577 20 10 CDCDHN Cn1cnnc1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179559712 391210111 /nfs/dbraw/zinc/21/01/11/391210111.db2.gz YXXZDGXMMGWDAB-UHFFFAOYSA-N 0 3 272.352 1.900 20 10 CDCDHN Cc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000158076220 392413738 /nfs/dbraw/zinc/41/37/38/392413738.db2.gz YSPXXWQOQOMUPV-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](CN)OC)cc1F ZINC000290211802 263115468 /nfs/dbraw/zinc/11/54/68/263115468.db2.gz SCXAOPCBTMLIAH-AWEZNQCLSA-N 0 3 297.374 1.262 20 10 CDCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN1CCOCC1 ZINC000297540426 278287136 /nfs/dbraw/zinc/28/71/36/278287136.db2.gz FBCUDQCWBSYTNT-ZFWWWQNUSA-N 0 3 290.407 1.937 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](CN)OC)cc1 ZINC000290016098 520902467 /nfs/dbraw/zinc/90/24/67/520902467.db2.gz QQJIBXOGQLRLCZ-AWEZNQCLSA-N 0 3 279.384 1.123 20 10 CDCDHN CCOc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1 ZINC000279751721 521150669 /nfs/dbraw/zinc/15/06/69/521150669.db2.gz YTIFMQAVOOXRKC-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000290157555 521154913 /nfs/dbraw/zinc/15/49/13/521154913.db2.gz POGLBXIIHUFWOJ-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000040825954 522200374 /nfs/dbraw/zinc/20/03/74/522200374.db2.gz NUDAUTXEDKMGGU-CYBMUJFWSA-N 0 3 263.385 1.742 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000061376362 523607863 /nfs/dbraw/zinc/60/78/63/523607863.db2.gz CQDAPPHNDUFJSZ-ZDUSSCGKSA-N 0 3 266.385 1.929 20 10 CDCDHN COCCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000061376358 523610605 /nfs/dbraw/zinc/61/06/05/523610605.db2.gz CQDAPPHNDUFJSZ-CYBMUJFWSA-N 0 3 266.385 1.929 20 10 CDCDHN CN1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000263770372 523827810 /nfs/dbraw/zinc/82/78/10/523827810.db2.gz TUGSCNKBPMCCRZ-GFCCVEGCSA-N 0 3 263.341 1.286 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000266170757 523866660 /nfs/dbraw/zinc/86/66/60/523866660.db2.gz CGSNYYPELISJCY-OAHLLOKOSA-N 0 3 278.396 1.819 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)ccc1[O-] ZINC000094618238 525485262 /nfs/dbraw/zinc/48/52/62/525485262.db2.gz DDGDQEYVHYGYTN-DGCLKSJQSA-N 0 3 281.375 1.428 20 10 CDCDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801765 525506752 /nfs/dbraw/zinc/50/67/52/525506752.db2.gz RSIGQQIYGCUPFT-PBHICJAKSA-N 0 3 290.455 1.649 20 10 CDCDHN COc1cccc(CN2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000364892905 525943032 /nfs/dbraw/zinc/94/30/32/525943032.db2.gz PVIKXMDGADCCEY-HNNXBMFYSA-N 0 3 292.335 1.475 20 10 CDCDHN [O-]c1cccc(Cl)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000264978895 526363098 /nfs/dbraw/zinc/36/30/98/526363098.db2.gz SYASACJRPXLLNU-LLVKDONJSA-N 0 3 284.787 1.592 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000726797825 574506597 /nfs/dbraw/zinc/50/65/97/574506597.db2.gz ZDFAIQWXQPWJPG-LLVKDONJSA-N 0 3 264.325 1.111 20 10 CDCDHN C[C@H](CNC(=O)c1cc([O-])cs1)C[NH+]1CCCC1 ZINC000731870761 575067101 /nfs/dbraw/zinc/06/71/01/575067101.db2.gz OQSFBOKMASLXMV-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN CCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464194 576287184 /nfs/dbraw/zinc/28/71/84/576287184.db2.gz ODDPJQABKXWDNA-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464194 576287185 /nfs/dbraw/zinc/28/71/85/576287185.db2.gz ODDPJQABKXWDNA-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN COC(=O)C[C@]1(NCc2cc(OC)ccc2O)CCOC1 ZINC000768532292 576293536 /nfs/dbraw/zinc/29/35/36/576293536.db2.gz DTBZMWFOLZXJFP-OAHLLOKOSA-N 0 3 295.335 1.213 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCc1ccn(C)n1 ZINC000760651160 576499318 /nfs/dbraw/zinc/49/93/18/576499318.db2.gz XUXKNKLOIBJCOU-UHFFFAOYSA-N 0 3 261.325 1.467 20 10 CDCDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)o1 ZINC000741262824 576547730 /nfs/dbraw/zinc/54/77/30/576547730.db2.gz WVYIRRZOFIBJMD-LBPRGKRZSA-N 0 3 291.303 1.846 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CCc1cnccn1 ZINC000761213282 576559473 /nfs/dbraw/zinc/55/94/73/576559473.db2.gz HJQGYILLOKLZOE-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CCc1cnccn1 ZINC000761213282 576559474 /nfs/dbraw/zinc/55/94/74/576559474.db2.gz HJQGYILLOKLZOE-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000761222171 576561073 /nfs/dbraw/zinc/56/10/73/576561073.db2.gz IMCWPUUSELAHHU-TZMCWYRMSA-N 0 3 269.316 1.815 20 10 CDCDHN Cc1cc(O)c(CNC(C)(C)CS(C)(=O)=O)cc1C ZINC000762787325 576671684 /nfs/dbraw/zinc/67/16/84/576671684.db2.gz QSAUQRXQVYJDTC-UHFFFAOYSA-N 0 3 285.409 1.922 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccco1 ZINC000747099132 576858648 /nfs/dbraw/zinc/85/86/48/576858648.db2.gz RPFJRBGXNWSOSS-LBPRGKRZSA-N 0 3 263.293 1.817 20 10 CDCDHN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000757658579 577049015 /nfs/dbraw/zinc/04/90/15/577049015.db2.gz HXRAJMWJFPNXNA-IINYFYTJSA-N 0 3 283.343 1.969 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCN2CCC2)c1 ZINC000752108685 577089495 /nfs/dbraw/zinc/08/94/95/577089495.db2.gz WCFCOWFYRBHYTG-UHFFFAOYSA-N 0 3 250.342 1.586 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)O)N(C)C)cc1 ZINC000891247997 617391201 /nfs/dbraw/zinc/39/12/01/617391201.db2.gz JUIMOADQSGDVSY-CQSZACIVSA-N 0 3 293.411 1.242 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1CCC[NH2+]CC1 ZINC000219383894 617695040 /nfs/dbraw/zinc/69/50/40/617695040.db2.gz CHECIRHDJOPCLX-UHFFFAOYSA-N 0 3 285.185 1.950 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977442 617983719 /nfs/dbraw/zinc/98/37/19/617983719.db2.gz KRQCOTGCKYVXEC-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977442 617983727 /nfs/dbraw/zinc/98/37/27/617983727.db2.gz KRQCOTGCKYVXEC-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN COc1cc(C)cc(CN2CCCN(C(N)=O)CC2)c1O ZINC000893986764 618238090 /nfs/dbraw/zinc/23/80/90/618238090.db2.gz MCRGROUNMZJUDV-UHFFFAOYSA-N 0 3 293.367 1.296 20 10 CDCDHN COc1cc(C)cc(CN[C@@H]2CCN(C(C)C)C2=O)c1O ZINC000894275880 618409860 /nfs/dbraw/zinc/40/98/60/618409860.db2.gz JRZUJGWCRRGXTH-CYBMUJFWSA-N 0 3 292.379 1.808 20 10 CDCDHN COC(=O)N1CC(NCc2cc(C)cc(OC)c2O)C1 ZINC000894346627 618805177 /nfs/dbraw/zinc/80/51/77/618805177.db2.gz VAKQSGSWMAHQCW-UHFFFAOYSA-N 0 3 280.324 1.249 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)C(=O)NC(C)C)c1O ZINC000895001557 619188398 /nfs/dbraw/zinc/18/83/98/619188398.db2.gz PWJYEWZJRYRNFP-LLVKDONJSA-N 0 3 280.368 1.712 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781296 619846038 /nfs/dbraw/zinc/84/60/38/619846038.db2.gz NGKDYZRACOLBJA-LJWDBELGSA-N 0 3 251.301 1.734 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781296 619846039 /nfs/dbraw/zinc/84/60/39/619846039.db2.gz NGKDYZRACOLBJA-LJWDBELGSA-N 0 3 251.301 1.734 20 10 CDCDHN O=C1NCCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)O1 ZINC000897012583 620345476 /nfs/dbraw/zinc/34/54/76/620345476.db2.gz GNAIKNAFHHPYII-UHFFFAOYSA-N 0 3 294.326 1.996 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC000897683773 621072045 /nfs/dbraw/zinc/07/20/45/621072045.db2.gz GSFIXDFUNKRKEH-IINYFYTJSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC000897683773 621072048 /nfs/dbraw/zinc/07/20/48/621072048.db2.gz GSFIXDFUNKRKEH-IINYFYTJSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H](CO)N1CCN(c2ccc(OC)cc2)CC1 ZINC000929153197 621462471 /nfs/dbraw/zinc/46/24/71/621462471.db2.gz SNZUYXPBLVQFGN-ZDUSSCGKSA-N 0 3 264.369 1.588 20 10 CDCDHN CCN(CC)CC(=O)NCc1ccc(O)cc1O ZINC000910950510 629114864 /nfs/dbraw/zinc/11/48/64/629114864.db2.gz GLWQTRFPHVQFKI-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN CCOC(=O)N1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC000041116464 1158525696 /nfs/dbraw/zinc/52/56/96/1158525696.db2.gz DJBHCWFFCOBLJY-UHFFFAOYSA-N 0 3 294.351 1.808 20 10 CDCDHN COCC[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858161638 751562519 /nfs/dbraw/zinc/56/25/19/751562519.db2.gz CIBINVLJKOTAAQ-LLVKDONJSA-N 0 3 288.338 1.518 20 10 CDCDHN CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000776521304 751801142 /nfs/dbraw/zinc/80/11/42/751801142.db2.gz VYRORVOUDGAVMI-OAHLLOKOSA-N 0 3 299.342 1.714 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000841652783 751805214 /nfs/dbraw/zinc/80/52/14/751805214.db2.gz GDXRPQXUVBWIDI-CHWSQXEVSA-N 0 3 290.411 1.644 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000846074593 751845825 /nfs/dbraw/zinc/84/58/25/751845825.db2.gz DGJHEBGKQVEGSM-NSHDSACASA-N 0 3 290.363 1.501 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC1CC1 ZINC000884232113 749572165 /nfs/dbraw/zinc/57/21/65/749572165.db2.gz ISOOOPJNFALCMA-ZDUSSCGKSA-N 0 3 289.379 1.605 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092101331 750574300 /nfs/dbraw/zinc/57/43/00/750574300.db2.gz GHNVIBXVASYZTH-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092101331 750574315 /nfs/dbraw/zinc/57/43/15/750574315.db2.gz GHNVIBXVASYZTH-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN CCN(C)c1ccc(Cn2cc([C@@H](C)N)nn2)cc1 ZINC000881313286 750579976 /nfs/dbraw/zinc/57/99/76/750579976.db2.gz HDAYRDZIBLBMPK-LLVKDONJSA-N 0 3 259.357 1.802 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000848566924 750803487 /nfs/dbraw/zinc/80/34/87/750803487.db2.gz MFQNJGRAPWGLFE-SNVBAGLBSA-N 0 3 288.351 1.176 20 10 CDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000036793876 750842290 /nfs/dbraw/zinc/84/22/90/750842290.db2.gz XNCMOFBROYYINF-ZDUSSCGKSA-N 0 3 291.395 1.090 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1(O)CCOCC1 ZINC000877459080 751088825 /nfs/dbraw/zinc/08/88/25/751088825.db2.gz GBJVWKRAMXFLHR-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+](C)CC1(O)CCOCC1 ZINC000877459080 751088832 /nfs/dbraw/zinc/08/88/32/751088832.db2.gz GBJVWKRAMXFLHR-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1cc(C)cc(CN(C)CCNC(C)=O)c1O ZINC000842632592 751264106 /nfs/dbraw/zinc/26/41/06/751264106.db2.gz XXFFXKGXCHTJJX-UHFFFAOYSA-N 0 3 266.341 1.277 20 10 CDCDHN CCCCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649286 752431621 /nfs/dbraw/zinc/43/16/21/752431621.db2.gz PKDSXONXJPKYIU-CYBMUJFWSA-N 0 3 294.395 1.976 20 10 CDCDHN Cc1cc(CN2CCNC(=O)C[C@H]2C)ccc1N(C)C ZINC000815078596 752709805 /nfs/dbraw/zinc/70/98/05/752709805.db2.gz CMHLKIKNVPBTFY-CYBMUJFWSA-N 0 3 275.396 1.771 20 10 CDCDHN O=C1N[C@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2CO1 ZINC000798957671 753210449 /nfs/dbraw/zinc/21/04/49/753210449.db2.gz KVLRSMIWGACGQP-NEPJUHHUSA-N 0 3 262.309 1.323 20 10 CDCDHN O=C1N[C@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2CO1 ZINC000798957671 753210458 /nfs/dbraw/zinc/21/04/58/753210458.db2.gz KVLRSMIWGACGQP-NEPJUHHUSA-N 0 3 262.309 1.323 20 10 CDCDHN NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000019910214 753291388 /nfs/dbraw/zinc/29/13/88/753291388.db2.gz SWHAAAQAVSNDCR-UHFFFAOYSA-N 0 3 292.360 1.329 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000783518216 753475548 /nfs/dbraw/zinc/47/55/48/753475548.db2.gz KBIQTDFWIBNHSG-SLEUVZQESA-N 0 3 264.369 1.762 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(O)c1 ZINC000935770977 753722828 /nfs/dbraw/zinc/72/28/28/753722828.db2.gz MYCLYFUSVZHLTP-AWEZNQCLSA-N 0 3 292.379 1.890 20 10 CDCDHN CCN1CCN(c2ccc(CN3CC(F)C3)cc2)CC1 ZINC001140300004 895704635 /nfs/dbraw/zinc/70/46/35/895704635.db2.gz IKTIZTZYDJMANU-UHFFFAOYSA-N 0 3 277.387 1.982 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001140947884 898959078 /nfs/dbraw/zinc/95/90/78/898959078.db2.gz JIWVDISIEVXYKI-UHFFFAOYSA-N 0 3 290.363 1.182 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000697579645 908786289 /nfs/dbraw/zinc/78/62/89/908786289.db2.gz HGDDKYOEGOTNFJ-RKDXNWHRSA-N 0 3 275.345 1.615 20 10 CDCDHN CN(CC(=O)NCc1ccccc1O)C1CCCC1 ZINC001180630332 916527683 /nfs/dbraw/zinc/52/76/83/916527683.db2.gz OBABNDGRWVYQLY-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@@H](CO)[C@H](O)C3)ccc21 ZINC001138354820 936525313 /nfs/dbraw/zinc/52/53/13/936525313.db2.gz WDMJZEMKKQOSBP-DOTOQJQBSA-N 0 3 290.407 1.244 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@]23CCN(C)C3=O)cc1 ZINC001272916467 920031172 /nfs/dbraw/zinc/03/11/72/920031172.db2.gz IXGCUEWKPWPRRX-QGZVFWFLSA-N 0 3 287.407 1.949 20 10 CDCDHN Cc1ccc(C)c(CN2CCCC[C@@H]2C(N)=O)c1O ZINC001140180451 936684337 /nfs/dbraw/zinc/68/43/37/936684337.db2.gz WVYRGWFNBVOCBC-CYBMUJFWSA-N 0 3 262.353 1.849 20 10 CDCDHN COCCCN1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140748777 936749623 /nfs/dbraw/zinc/74/96/23/936749623.db2.gz JTSHJDNPYGPLPM-UHFFFAOYSA-N 0 3 294.395 1.560 20 10 CDCDHN COC(=O)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141157618 936822411 /nfs/dbraw/zinc/82/24/11/936822411.db2.gz KETVJWNZHNOKBD-UHFFFAOYSA-N 0 3 265.309 1.483 20 10 CDCDHN CCN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139195 936818754 /nfs/dbraw/zinc/81/87/54/936818754.db2.gz MPZYTMWAEZXCQT-UHFFFAOYSA-N 0 3 275.396 1.653 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001168977242 927564086 /nfs/dbraw/zinc/56/40/86/927564086.db2.gz JAAHAUDVASJGQL-ONGXEEELSA-N 0 3 266.297 1.633 20 10 CDCDHN CCOCc1cc(CN[C@@H](CC)C(=O)NC)ccc1OC ZINC000825315429 931500455 /nfs/dbraw/zinc/50/04/55/931500455.db2.gz AGWXEEMYRXQQJW-AWEZNQCLSA-N 0 3 294.395 1.846 20 10 CDCDHN Oc1cc(O)c(CN2CCOC[C@H]2C2CC2)c(O)c1 ZINC001144515744 931881380 /nfs/dbraw/zinc/88/13/80/931881380.db2.gz XAPSYVMBZXLWDK-LBPRGKRZSA-N 0 3 265.309 1.414 20 10 CDCDHN CN(CC1CC[NH+](C)CC1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584854 932752780 /nfs/dbraw/zinc/75/27/80/932752780.db2.gz YDDKUEFRNPPMNR-UHFFFAOYSA-N 0 3 294.351 1.217 20 10 CDCDHN CC(C)N(C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C[NH3+] ZINC001148590360 932754322 /nfs/dbraw/zinc/75/43/22/932754322.db2.gz IMVGBFNBACQBGK-UHFFFAOYSA-N 0 3 282.340 1.391 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001253704794 935854458 /nfs/dbraw/zinc/85/44/58/935854458.db2.gz VILRGGQMIQAYGU-ZWNOBZJWSA-N 0 3 281.352 1.745 20 10 CDCDHN N[C@@H]1CN(Cc2cccc(F)c2O)CCC1(F)F ZINC001206668135 938704132 /nfs/dbraw/zinc/70/41/32/938704132.db2.gz PEOUOEJMEUWZNY-SNVBAGLBSA-N 0 3 260.259 1.700 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001203620390 939696812 /nfs/dbraw/zinc/69/68/12/939696812.db2.gz DACGIIDMBHSCFC-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001203620390 939696813 /nfs/dbraw/zinc/69/68/13/939696813.db2.gz DACGIIDMBHSCFC-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203627534 939698025 /nfs/dbraw/zinc/69/80/25/939698025.db2.gz HTSWWUSBPCJJSR-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203627534 939698026 /nfs/dbraw/zinc/69/80/26/939698026.db2.gz HTSWWUSBPCJJSR-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN [O-]c1cc(F)cc(F)c1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222095347 941563688 /nfs/dbraw/zinc/56/36/88/941563688.db2.gz PMODVMYFALRTSY-UHFFFAOYSA-N 0 3 297.349 1.198 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c([O-])c1 ZINC001277566890 943017820 /nfs/dbraw/zinc/01/78/20/943017820.db2.gz DALBTPKUFCBXBX-FDRIWYBQSA-N 0 3 274.364 1.690 20 10 CDCDHN CN(C)c1ccc(CN(C)Cc2cnn(C)c2)c(O)c1 ZINC001232835094 943412611 /nfs/dbraw/zinc/41/26/11/943412611.db2.gz VQPGOELLFDBXRC-UHFFFAOYSA-N 0 3 274.368 1.824 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001236027766 944382594 /nfs/dbraw/zinc/38/25/94/944382594.db2.gz ONTLEMHWVRVNGQ-ZYHUDNBSSA-N 0 3 272.270 1.944 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236783606 944565902 /nfs/dbraw/zinc/56/59/02/944565902.db2.gz MXYQMFQNCOAVAR-HZPDHXFCSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236783606 944565909 /nfs/dbraw/zinc/56/59/09/944565909.db2.gz MXYQMFQNCOAVAR-HZPDHXFCSA-N 0 3 279.380 1.520 20 10 CDCDHN COc1cc(C)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001236808584 944575101 /nfs/dbraw/zinc/57/51/01/944575101.db2.gz QPLPRENNKRIUFR-GFCCVEGCSA-N 0 3 297.395 1.663 20 10 CDCDHN COc1cc(C)c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001236808584 944575106 /nfs/dbraw/zinc/57/51/06/944575106.db2.gz QPLPRENNKRIUFR-GFCCVEGCSA-N 0 3 297.395 1.663 20 10 CDCDHN COc1cc(C)c(C[N@H+](C)CCC2OCCO2)c([O-])c1 ZINC001236810786 944575394 /nfs/dbraw/zinc/57/53/94/944575394.db2.gz JDPOEAPJEWZFSJ-UHFFFAOYSA-N 0 3 281.352 1.904 20 10 CDCDHN COc1cc(C)c(C[N@@H+](C)CCC2OCCO2)c([O-])c1 ZINC001236810786 944575396 /nfs/dbraw/zinc/57/53/96/944575396.db2.gz JDPOEAPJEWZFSJ-UHFFFAOYSA-N 0 3 281.352 1.904 20 10 CDCDHN COc1cc(C)c(CN2CCN(C3CC3)CC2)c(O)c1 ZINC001236819544 944580882 /nfs/dbraw/zinc/58/08/82/944580882.db2.gz WJBLYWAQFSRTGG-UHFFFAOYSA-N 0 3 276.380 1.989 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254840627 947619345 /nfs/dbraw/zinc/61/93/45/947619345.db2.gz KXUNJVDHMSXNGM-ZDUSSCGKSA-N 0 3 262.353 1.672 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CN1 ZINC001246862556 948487057 /nfs/dbraw/zinc/48/70/57/948487057.db2.gz LFLJVWCAJRCRJA-OLZOCXBDSA-N 0 3 278.352 1.118 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CN1 ZINC001246862556 948487060 /nfs/dbraw/zinc/48/70/60/948487060.db2.gz LFLJVWCAJRCRJA-OLZOCXBDSA-N 0 3 278.352 1.118 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC001249173206 949444510 /nfs/dbraw/zinc/44/45/10/949444510.db2.gz RWMHNXNGIMCSKK-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC001249173206 949444529 /nfs/dbraw/zinc/44/45/29/949444529.db2.gz RWMHNXNGIMCSKK-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN COc1cccc([C@@H](O)CNCc2ccc(O)c(O)c2)c1 ZINC001250740060 950339070 /nfs/dbraw/zinc/33/90/70/950339070.db2.gz OXJIRLPRONKUNE-INIZCTEOSA-N 0 3 289.331 1.930 20 10 CDCDHN CCCCOC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252529407 951412144 /nfs/dbraw/zinc/41/21/44/951412144.db2.gz GVBBDCIZFBHHEL-ZDUSSCGKSA-N 0 3 269.341 1.365 20 10 CDCDHN CCCCOC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001252533255 951419257 /nfs/dbraw/zinc/41/92/57/951419257.db2.gz WHAMNZCKEDPEFP-GFCCVEGCSA-N 0 3 269.341 1.365 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1[O-] ZINC001308010448 956457471 /nfs/dbraw/zinc/45/74/71/956457471.db2.gz OTACYAMIVVSDGP-SNVBAGLBSA-N 0 3 284.319 1.579 20 10 CDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001342614658 963779677 /nfs/dbraw/zinc/77/96/77/963779677.db2.gz VTDWLIGOHLJUON-NWDGAFQWSA-N 0 3 292.354 1.783 20 10 CDCDHN COC(=O)CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465889 345242427 /nfs/dbraw/zinc/24/24/27/345242427.db2.gz KSRLZDUTIOTJNE-UHFFFAOYSA-N 0 3 292.379 1.770 20 10 CDCDHN Cn1cc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000112017369 365853377 /nfs/dbraw/zinc/85/33/77/365853377.db2.gz HAXPDTJOBSDALX-UHFFFAOYSA-N 0 3 275.308 1.187 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCOC1)OCO2 ZINC000042880191 357083002 /nfs/dbraw/zinc/08/30/02/357083002.db2.gz GSAJQPUVODTGHB-SECBINFHSA-N 0 3 251.282 1.247 20 10 CDCDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000185725214 357570520 /nfs/dbraw/zinc/57/05/20/357570520.db2.gz GRWVFUZJAZXPKX-PWSUYJOCSA-N 0 3 278.352 1.510 20 10 CDCDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000185725214 357570524 /nfs/dbraw/zinc/57/05/24/357570524.db2.gz GRWVFUZJAZXPKX-PWSUYJOCSA-N 0 3 278.352 1.510 20 10 CDCDHN CC(C)C[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880393 358983693 /nfs/dbraw/zinc/98/36/93/358983693.db2.gz QBOROEOTEKLUMR-LLVKDONJSA-N 0 3 267.325 1.618 20 10 CDCDHN CC(C)[C@H](C(=O)NCc1ccccc1O)N(C)C ZINC000269153186 364147585 /nfs/dbraw/zinc/14/75/85/364147585.db2.gz QYWVYITXJUJGTR-CYBMUJFWSA-N 0 3 250.342 1.595 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c1[O-] ZINC000271265163 364979769 /nfs/dbraw/zinc/97/97/69/364979769.db2.gz IEENQVKFWGZWJY-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@H](O)[C@H](CC)C2)c1[O-] ZINC000271265163 364979773 /nfs/dbraw/zinc/97/97/73/364979773.db2.gz IEENQVKFWGZWJY-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000271798825 364999326 /nfs/dbraw/zinc/99/93/26/364999326.db2.gz KKTZKIPJXCJSQU-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273367509 365490293 /nfs/dbraw/zinc/49/02/93/365490293.db2.gz BRVJGBOZMIMSSV-SMDDNHRTSA-N 0 3 279.380 1.929 20 10 CDCDHN CCCCN(CC(=O)NC)Cc1ccccc1O ZINC000282497123 367914080 /nfs/dbraw/zinc/91/40/80/367914080.db2.gz QLAFZEORHUUXEM-UHFFFAOYSA-N 0 3 250.342 1.740 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000284291075 368510155 /nfs/dbraw/zinc/51/01/55/368510155.db2.gz IBTIXNSQSSRBEB-KBPBESRZSA-N 0 3 278.396 1.588 20 10 CDCDHN CO[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000266603638 370914686 /nfs/dbraw/zinc/91/46/86/370914686.db2.gz FNUNQABFCZJLJW-AWEZNQCLSA-N 0 3 267.325 1.882 20 10 CDCDHN CCCN(CC(=O)NC)Cc1cc(C)ccc1O ZINC000133287689 390935788 /nfs/dbraw/zinc/93/57/88/390935788.db2.gz AKZHEWOSGWNOSD-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373468296 391120363 /nfs/dbraw/zinc/12/03/63/391120363.db2.gz UXNSLGIAMBHSHE-JTQLQIEISA-N 0 3 251.301 2.000 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@H](OCCO)C2)c1 ZINC000179579444 391213293 /nfs/dbraw/zinc/21/32/93/391213293.db2.gz YLJGYEKYZFIUNF-HNNXBMFYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179579444 391213297 /nfs/dbraw/zinc/21/32/97/391213297.db2.gz YLJGYEKYZFIUNF-HNNXBMFYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179579444 391213298 /nfs/dbraw/zinc/21/32/98/391213298.db2.gz YLJGYEKYZFIUNF-HNNXBMFYSA-N 0 3 295.379 1.764 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000183496234 391266059 /nfs/dbraw/zinc/26/60/59/391266059.db2.gz GBZVBGLZJFEGNF-KGLIPLIRSA-N 0 3 277.412 1.679 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1NCC1(C)C ZINC000649347600 392083243 /nfs/dbraw/zinc/08/32/43/392083243.db2.gz HOIPBTAWZRIZOF-AWEZNQCLSA-N 0 3 289.379 1.476 20 10 CDCDHN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187152981 262126743 /nfs/dbraw/zinc/12/67/43/262126743.db2.gz PSZFGKDUEBBWLA-NSHDSACASA-N 0 3 278.352 1.512 20 10 CDCDHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187152981 262126745 /nfs/dbraw/zinc/12/67/45/262126745.db2.gz PSZFGKDUEBBWLA-NSHDSACASA-N 0 3 278.352 1.512 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000279793481 423786669 /nfs/dbraw/zinc/78/66/69/423786669.db2.gz VGTDORZNFKVMLD-MRXNPFEDSA-N 0 3 287.407 1.996 20 10 CDCDHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000077458046 326923561 /nfs/dbraw/zinc/92/35/61/326923561.db2.gz QLPZILQWGLVOHX-QWHCGFSZSA-N 0 3 283.393 1.838 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)c([O-])c1 ZINC000093899432 327146175 /nfs/dbraw/zinc/14/61/75/327146175.db2.gz HKWCZOQQQBGLGL-LBPRGKRZSA-N 0 3 294.395 1.995 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)NC)c([O-])c1 ZINC000093899432 327146176 /nfs/dbraw/zinc/14/61/76/327146176.db2.gz HKWCZOQQQBGLGL-LBPRGKRZSA-N 0 3 294.395 1.995 20 10 CDCDHN CCCOc1ccc(C[NH2+]C2(CO)CCOCC2)c([O-])c1 ZINC000265221573 520363763 /nfs/dbraw/zinc/36/37/63/520363763.db2.gz HEDIVGPYHGADEM-UHFFFAOYSA-N 0 3 295.379 1.812 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)C2CC2)cc1OC ZINC000289536276 522782697 /nfs/dbraw/zinc/78/26/97/522782697.db2.gz WMMXUCQTHIEGOR-GFCCVEGCSA-N 0 3 267.325 1.270 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccc(C)cc1[O-] ZINC000280245557 522850265 /nfs/dbraw/zinc/85/02/65/522850265.db2.gz WGKSXEGTNDHLDC-DGCLKSJQSA-N 0 3 253.342 1.749 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000071409291 523605654 /nfs/dbraw/zinc/60/56/54/523605654.db2.gz XRUXFRGJJOYTMD-UHFFFAOYSA-N 0 3 252.358 1.368 20 10 CDCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000228094840 525583658 /nfs/dbraw/zinc/58/36/58/525583658.db2.gz KLRHJCUOFNMSKH-TVQRCGJNSA-N 0 3 255.289 1.161 20 10 CDCDHN C[C@H](Cc1cnccn1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000725849693 574444765 /nfs/dbraw/zinc/44/47/65/574444765.db2.gz UZHYUDCHJPUCKE-SNVBAGLBSA-N 0 3 287.319 1.632 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000727644786 574592955 /nfs/dbraw/zinc/59/29/55/574592955.db2.gz RMBVUTSGOHCSQE-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN CC1(O)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768463442 576286957 /nfs/dbraw/zinc/28/69/57/576286957.db2.gz IYQJQRGLHQJQGP-ZDUSSCGKSA-N 0 3 279.336 1.165 20 10 CDCDHN COC(=O)C[C@@]1(NCc2cc(OC)ccc2O)CCOC1 ZINC000768532291 576293523 /nfs/dbraw/zinc/29/35/23/576293523.db2.gz DTBZMWFOLZXJFP-HNNXBMFYSA-N 0 3 295.335 1.213 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000769450428 576355220 /nfs/dbraw/zinc/35/52/20/576355220.db2.gz CTTHXKVFXZGOSG-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000769450428 576355222 /nfs/dbraw/zinc/35/52/22/576355222.db2.gz CTTHXKVFXZGOSG-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOCc1cc(CNC[C@H]2COCCO2)ccc1OC ZINC000747855050 576887171 /nfs/dbraw/zinc/88/71/71/576887171.db2.gz YCWARGCLFGJZQQ-HNNXBMFYSA-N 0 3 295.379 1.737 20 10 CDCDHN C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322742 576905635 /nfs/dbraw/zinc/90/56/35/576905635.db2.gz UHLYWQUPTKYMJU-MWLCHTKSSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322742 576905636 /nfs/dbraw/zinc/90/56/36/576905636.db2.gz UHLYWQUPTKYMJU-MWLCHTKSSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322742 576905637 /nfs/dbraw/zinc/90/56/37/576905637.db2.gz UHLYWQUPTKYMJU-MWLCHTKSSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(F)ccc1[O-] ZINC000756511988 576993268 /nfs/dbraw/zinc/99/32/68/576993268.db2.gz UKFBWYLWHJMVCY-ZWNOBZJWSA-N 0 3 283.343 1.969 20 10 CDCDHN C[C@@H]1CCN(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000779120221 617411139 /nfs/dbraw/zinc/41/11/39/617411139.db2.gz FEAWGJFENWYLPG-LLVKDONJSA-N 0 3 252.333 1.963 20 10 CDCDHN COc1ccc(CNC[C@H](O)C(F)(F)F)c(O)c1OC ZINC000892668786 617574951 /nfs/dbraw/zinc/57/49/51/617574951.db2.gz MWGUPXZKHJCIOD-VIFPVBQESA-N 0 3 295.257 1.422 20 10 CDCDHN COc1cc(O)c(CN[C@@H](C)C(=O)NC(C)C)cc1OC ZINC000840975455 617963925 /nfs/dbraw/zinc/96/39/25/617963925.db2.gz YLAVQDPOLFXONL-JTQLQIEISA-N 0 3 296.367 1.412 20 10 CDCDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N(C)C)cc2)C1(F)F ZINC000894160078 618638835 /nfs/dbraw/zinc/63/88/35/618638835.db2.gz KGRBLKIKMFSIAW-QWHCGFSZSA-N 0 3 298.333 1.897 20 10 CDCDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CN)c1 ZINC000841063788 618679629 /nfs/dbraw/zinc/67/96/29/618679629.db2.gz OQJJOILSLBFGFG-QMMMGPOBSA-N 0 3 273.174 1.900 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000894453302 618894196 /nfs/dbraw/zinc/89/41/96/618894196.db2.gz OCNSUYCMGNAMMT-WLRWDXFRSA-N 0 3 285.409 1.908 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895316383 619546345 /nfs/dbraw/zinc/54/63/45/619546345.db2.gz IFFRDAJPIBPUEU-ZDUSSCGKSA-N 0 3 261.369 1.367 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383799 620080414 /nfs/dbraw/zinc/08/04/14/620080414.db2.gz FGUFMYDZWGGMJO-NSHDSACASA-N 0 3 279.336 1.596 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383799 620080415 /nfs/dbraw/zinc/08/04/15/620080415.db2.gz FGUFMYDZWGGMJO-NSHDSACASA-N 0 3 279.336 1.596 20 10 CDCDHN CC(C)NC(=O)CNCc1ccc(N2CCOCC2)cc1 ZINC000035136022 621347678 /nfs/dbraw/zinc/34/76/78/621347678.db2.gz VBZTXFRAMFVHHI-UHFFFAOYSA-N 0 3 291.395 1.137 20 10 CDCDHN CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)N(C)C ZINC000910950146 629114797 /nfs/dbraw/zinc/11/47/97/629114797.db2.gz DCYQIMRNWRSDRX-CYBMUJFWSA-N 0 3 266.341 1.300 20 10 CDCDHN CCS(=O)(=O)NCCNCc1ccc2c(c1)CCCO2 ZINC000921604663 633098243 /nfs/dbraw/zinc/09/82/43/633098243.db2.gz UXKBKESTJFRFIF-UHFFFAOYSA-N 0 3 298.408 1.041 20 10 CDCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[NH2+]C[C@@H]1O ZINC001580886035 1172564694 /nfs/dbraw/zinc/56/46/94/1172564694.db2.gz VNZVIIHEEABZHQ-MNOVXSKESA-N 0 3 291.178 1.511 20 10 CDCDHN CCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000389661135 755849148 /nfs/dbraw/zinc/84/91/48/755849148.db2.gz BQUBXFXJCGPWLP-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112222 753843589 /nfs/dbraw/zinc/84/35/89/753843589.db2.gz YJMSFEIJTUGAGB-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000817970872 753933947 /nfs/dbraw/zinc/93/39/47/753933947.db2.gz GNAFJKRNKBGUPO-MDZLAQPJSA-N 0 3 292.379 1.970 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ncccn1 ZINC000879648563 753961065 /nfs/dbraw/zinc/96/10/65/753961065.db2.gz UBUWNNPALYJHBA-GHMZBOCLSA-N 0 3 286.335 1.860 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000322967803 754391772 /nfs/dbraw/zinc/39/17/72/754391772.db2.gz WEPZEXMAKYTPJV-MRVPVSSYSA-N 0 3 286.759 1.668 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825336875 754564740 /nfs/dbraw/zinc/56/47/40/754564740.db2.gz AGRLCJCNGGRILX-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825336875 754564755 /nfs/dbraw/zinc/56/47/55/754564755.db2.gz AGRLCJCNGGRILX-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000311082446 754679548 /nfs/dbraw/zinc/67/95/48/754679548.db2.gz ORTSMZORSGEZIE-LDYMZIIASA-N 0 3 273.329 1.197 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000230663346 754988386 /nfs/dbraw/zinc/98/83/86/754988386.db2.gz NXMKQKPNDFBWNO-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)CCCO1 ZINC000313356419 755058293 /nfs/dbraw/zinc/05/82/93/755058293.db2.gz QMDAMWWOULFWPQ-JTQLQIEISA-N 0 3 270.760 1.595 20 10 CDCDHN C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311954029 755229669 /nfs/dbraw/zinc/22/96/69/755229669.db2.gz YGLJHKFYIOADAE-WBIUFABUSA-N 0 3 263.337 1.509 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000779199752 755800952 /nfs/dbraw/zinc/80/09/52/755800952.db2.gz KVJLTWNMIZSBJH-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000779199752 755800957 /nfs/dbraw/zinc/80/09/57/755800957.db2.gz KVJLTWNMIZSBJH-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(O)c(CN2CCSC[C@@H]2CO)c1 ZINC000877779887 755815367 /nfs/dbraw/zinc/81/53/67/755815367.db2.gz HHXVVOCTMQKAKN-LBPRGKRZSA-N 0 3 283.393 1.701 20 10 CDCDHN CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000389661135 755849144 /nfs/dbraw/zinc/84/91/44/755849144.db2.gz BQUBXFXJCGPWLP-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NCCF)c1O ZINC000846168312 756014264 /nfs/dbraw/zinc/01/42/64/756014264.db2.gz RYIVIIWDWSDJKM-VHSXEESVSA-N 0 3 284.331 1.526 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000879648763 756084419 /nfs/dbraw/zinc/08/44/19/756084419.db2.gz CSQOIHCSMPWWDU-MCIONIFRSA-N 0 3 295.379 1.599 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCC(=O)NC1=O ZINC000799125971 756184347 /nfs/dbraw/zinc/18/43/47/756184347.db2.gz VZZTYRVAZNTZRX-LBPRGKRZSA-N 0 3 276.336 1.409 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCC(=O)NC1=O ZINC000799125971 756184358 /nfs/dbraw/zinc/18/43/58/756184358.db2.gz VZZTYRVAZNTZRX-LBPRGKRZSA-N 0 3 276.336 1.409 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1cccc(OCC)c1O ZINC000036795073 756369285 /nfs/dbraw/zinc/36/92/85/756369285.db2.gz WYUNUHDSUWAGKY-JTQLQIEISA-N 0 3 266.341 1.405 20 10 CDCDHN COc1ccc(CNCC(C)(C)S(C)(=O)=O)cc1C ZINC000093523028 756436192 /nfs/dbraw/zinc/43/61/92/756436192.db2.gz XTXJKKGDFADEPJ-UHFFFAOYSA-N 0 3 285.409 1.916 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877055614 756638386 /nfs/dbraw/zinc/63/83/86/756638386.db2.gz CUQMNBCVYWZCIJ-ZDUSSCGKSA-N 0 3 255.383 1.904 20 10 CDCDHN Cc1nc(CC[NH2+][C@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886587967 756659246 /nfs/dbraw/zinc/65/92/46/756659246.db2.gz IVNJHJCAIISBBZ-MRVPVSSYSA-N 0 3 264.304 1.851 20 10 CDCDHN COc1cccc(CN2CCCN(C=O)CC2)c1O ZINC000827876823 756764724 /nfs/dbraw/zinc/76/47/24/756764724.db2.gz FCANCGZIELZSJG-UHFFFAOYSA-N 0 3 264.325 1.065 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCSCCCO ZINC000877013484 756767814 /nfs/dbraw/zinc/76/78/14/756767814.db2.gz AKHMXXQYCNUMSI-UHFFFAOYSA-N 0 3 255.383 1.906 20 10 CDCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000824708930 756784858 /nfs/dbraw/zinc/78/48/58/756784858.db2.gz LJIZBGPVLVVOQP-QMTHXVAHSA-N 0 3 269.316 1.672 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000865666845 756891624 /nfs/dbraw/zinc/89/16/24/756891624.db2.gz PCLGSTNBGUFJBX-DOTOQJQBSA-N 0 3 285.343 1.909 20 10 CDCDHN CCOc1ccc(CN2CCSC[C@@H]2CO)c(O)c1 ZINC000877780116 756916715 /nfs/dbraw/zinc/91/67/15/756916715.db2.gz KPFWARLFHCMPFI-LBPRGKRZSA-N 0 3 283.393 1.701 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(OC)cc1O)N(C)C ZINC000794380032 756975352 /nfs/dbraw/zinc/97/53/52/756975352.db2.gz WBCLXXDNHARJRK-LBPRGKRZSA-N 0 3 266.341 1.357 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@H](CN)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000841087427 757406930 /nfs/dbraw/zinc/40/69/30/757406930.db2.gz OFIRNNWEGFVPRA-LLVKDONJSA-N 0 3 297.355 1.772 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(F)ccc1[O-] ZINC000094617775 757727753 /nfs/dbraw/zinc/72/77/53/757727753.db2.gz BDASQGKJRDNOHA-GXSJLCMTSA-N 0 3 255.289 1.597 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CC(F)F)c1 ZINC000828666695 757854959 /nfs/dbraw/zinc/85/49/59/757854959.db2.gz HNWOQRLJTUOSCX-XCBNKYQSSA-N 0 3 288.294 1.561 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000877613336 757901066 /nfs/dbraw/zinc/90/10/66/757901066.db2.gz FMVLDLPMIUBCHY-LBPRGKRZSA-N 0 3 274.364 1.801 20 10 CDCDHN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826995288 757964332 /nfs/dbraw/zinc/96/43/32/757964332.db2.gz SQSICQAFPRJMDM-GFCCVEGCSA-N 0 3 262.309 1.419 20 10 CDCDHN O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000826995288 757964358 /nfs/dbraw/zinc/96/43/58/757964358.db2.gz SQSICQAFPRJMDM-GFCCVEGCSA-N 0 3 262.309 1.419 20 10 CDCDHN Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])n(C)n1 ZINC000879649206 758344945 /nfs/dbraw/zinc/34/49/45/758344945.db2.gz NUAKZTXRFOEHAL-LLVKDONJSA-N 0 3 288.351 1.723 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877034483 1165963226 /nfs/dbraw/zinc/96/32/26/1165963226.db2.gz IOGHEGCDEDTGHP-CQSZACIVSA-N 0 3 253.342 1.578 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000877493477 1166048612 /nfs/dbraw/zinc/04/86/12/1166048612.db2.gz BWHTWJGNXPRWLI-CHWSQXEVSA-N 0 3 265.353 1.435 20 10 CDCDHN [O-]c1cc(Br)ccc1CN[C@H]1C[NH2+]CC12CC2 ZINC001580888689 1167725425 /nfs/dbraw/zinc/72/54/25/1167725425.db2.gz VXHRNDTXERRBPW-LBPRGKRZSA-N 0 3 297.196 1.996 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)C[C@H](C)N1C ZINC001233015802 912675280 /nfs/dbraw/zinc/67/52/80/912675280.db2.gz BKCCYSVBIOLBPW-AOOOYVTPSA-N 0 3 266.341 1.328 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769539 912834245 /nfs/dbraw/zinc/83/42/45/912834245.db2.gz NBGYLACBUMDKLX-ZIAGYGMSSA-N 0 3 287.367 1.994 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769539 912834265 /nfs/dbraw/zinc/83/42/65/912834265.db2.gz NBGYLACBUMDKLX-ZIAGYGMSSA-N 0 3 287.367 1.994 20 10 CDCDHN C[C@H](C(=O)N1CCc2cccc(O)c2C1)N1CCCC1 ZINC001180578733 916437406 /nfs/dbraw/zinc/43/74/06/916437406.db2.gz JQNNCZHCEBGNML-GFCCVEGCSA-N 0 3 274.364 1.761 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Cl ZINC001205190116 918431142 /nfs/dbraw/zinc/43/11/42/918431142.db2.gz LOXDIVBLPBLVIM-LDYMZIIASA-N 0 3 270.760 1.976 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001140924031 936776479 /nfs/dbraw/zinc/77/64/79/936776479.db2.gz AYEGWNXWWFWCGR-LLVKDONJSA-N 0 3 281.787 1.713 20 10 CDCDHN COCCN(C)Cc1ccc2c(c1)OCCN2C ZINC001141139058 936818922 /nfs/dbraw/zinc/81/89/22/936818922.db2.gz HNVUIGJKJLZCPZ-UHFFFAOYSA-N 0 3 250.342 1.593 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC001169326668 927956878 /nfs/dbraw/zinc/95/68/78/927956878.db2.gz MCTBEYLWYXXHSC-GXTWGEPZSA-N 0 3 279.336 1.593 20 10 CDCDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(OC)cc1O ZINC001122064809 937902820 /nfs/dbraw/zinc/90/28/20/937902820.db2.gz JEZIZDOKMNRPMN-MFKMUULPSA-N 0 3 280.368 1.781 20 10 CDCDHN COCC[N@H+](Cc1ccccc1[O-])C1CCN(C)CC1 ZINC001203556738 939693106 /nfs/dbraw/zinc/69/31/06/939693106.db2.gz VRIFUZMQGIJDKD-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN COCC[N@@H+](Cc1ccccc1[O-])C1CCN(C)CC1 ZINC001203556738 939693108 /nfs/dbraw/zinc/69/31/08/939693108.db2.gz VRIFUZMQGIJDKD-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN COCCCCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203884041 939712030 /nfs/dbraw/zinc/71/20/30/939712030.db2.gz QJDNALDNFZKIHI-UHFFFAOYSA-N 0 3 294.395 1.642 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273089 939750440 /nfs/dbraw/zinc/75/04/40/939750440.db2.gz XLTJWRFUVCVRNN-LLVKDONJSA-N 0 3 265.309 1.483 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273089 939750443 /nfs/dbraw/zinc/75/04/43/939750443.db2.gz XLTJWRFUVCVRNN-LLVKDONJSA-N 0 3 265.309 1.483 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001204279190 939752276 /nfs/dbraw/zinc/75/22/76/939752276.db2.gz SNNXSOQJQBZKBF-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001204279190 939752278 /nfs/dbraw/zinc/75/22/78/939752278.db2.gz SNNXSOQJQBZKBF-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204837091 939796805 /nfs/dbraw/zinc/79/68/05/939796805.db2.gz QGVFVIIYLJQNLJ-ZJUUUORDSA-N 0 3 274.723 1.535 20 10 CDCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205967781 939961747 /nfs/dbraw/zinc/96/17/47/939961747.db2.gz XQWQNUGFIFLSTL-DGCLKSJQSA-N 0 3 270.760 1.248 20 10 CDCDHN O=C1CCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000405331603 940982115 /nfs/dbraw/zinc/98/21/15/940982115.db2.gz ASQZTGMPQKJEHI-LBPRGKRZSA-N 0 3 260.337 1.592 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192463 942155185 /nfs/dbraw/zinc/15/51/85/942155185.db2.gz ONCSGPHSABJXHV-GNXNZQSNSA-N 0 3 276.336 1.041 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192463 942155188 /nfs/dbraw/zinc/15/51/88/942155188.db2.gz ONCSGPHSABJXHV-GNXNZQSNSA-N 0 3 276.336 1.041 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001231588545 942935999 /nfs/dbraw/zinc/93/59/99/942935999.db2.gz UHNOOERQWLUOBU-CXAGYDPISA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001231588545 942936002 /nfs/dbraw/zinc/93/60/02/942936002.db2.gz UHNOOERQWLUOBU-CXAGYDPISA-N 0 3 287.359 1.721 20 10 CDCDHN CCCN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231636030 942952157 /nfs/dbraw/zinc/95/21/57/942952157.db2.gz OUJQJYHTVLJPJW-UHFFFAOYSA-N 0 3 280.368 1.634 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)cc1O ZINC001233487882 943595111 /nfs/dbraw/zinc/59/51/11/943595111.db2.gz VJEQISIWKKZGDM-QWRGUYRKSA-N 0 3 264.325 1.082 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2cc(O)c(O)cc2O)CC12CC2 ZINC001233487685 943595396 /nfs/dbraw/zinc/59/53/96/943595396.db2.gz ODZBNYPXEPDDID-SNVBAGLBSA-N 0 3 293.319 1.188 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038426 944017742 /nfs/dbraw/zinc/01/77/42/944017742.db2.gz MULWOMLZJULQCM-NWDGAFQWSA-N 0 3 252.745 1.982 20 10 CDCDHN CCc1ccc(C[N@H+](C)CCC(=O)OC)c([O-])c1 ZINC001236793524 944571253 /nfs/dbraw/zinc/57/12/53/944571253.db2.gz XVPSVCCGPNUKII-UHFFFAOYSA-N 0 3 251.326 1.950 20 10 CDCDHN CCc1ccc(C[N@@H+](C)CCC(=O)OC)c([O-])c1 ZINC001236793524 944571255 /nfs/dbraw/zinc/57/12/55/944571255.db2.gz XVPSVCCGPNUKII-UHFFFAOYSA-N 0 3 251.326 1.950 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001236808940 944575561 /nfs/dbraw/zinc/57/55/61/944575561.db2.gz SEZDUQXRKGVLRR-UHFFFAOYSA-N 0 3 263.337 1.932 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001236808940 944575565 /nfs/dbraw/zinc/57/55/65/944575565.db2.gz SEZDUQXRKGVLRR-UHFFFAOYSA-N 0 3 263.337 1.932 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001238059488 945044793 /nfs/dbraw/zinc/04/47/93/945044793.db2.gz DDEHUTMCDORLHA-GXFFZTMASA-N 0 3 269.316 1.015 20 10 CDCDHN COc1cc(C)c(CN2CCCN(C(N)=O)CC2)c(O)c1 ZINC001308595618 956552996 /nfs/dbraw/zinc/55/29/96/956552996.db2.gz ZCWKLYOJOOKNFT-UHFFFAOYSA-N 0 3 293.367 1.296 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1OC ZINC000169222465 342517520 /nfs/dbraw/zinc/51/75/20/342517520.db2.gz BLSVNOCUBCEFNF-BNOWGMLFSA-N 0 3 251.326 1.674 20 10 CDCDHN Cc1cccc(CN2CCCN(C(N)=O)CC2)c1O ZINC000179944153 357232656 /nfs/dbraw/zinc/23/26/56/357232656.db2.gz WPXUKIGIDLJSDV-UHFFFAOYSA-N 0 3 263.341 1.287 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCOC2)cc1OC ZINC000180341855 357263403 /nfs/dbraw/zinc/26/34/03/357263403.db2.gz YGUQOTNYLXFDIY-NSHDSACASA-N 0 3 281.352 1.926 20 10 CDCDHN CC[C@H](NCCS(=O)(=O)NC)c1ccc(N(C)C)cc1 ZINC000187178597 357737395 /nfs/dbraw/zinc/73/73/95/357737395.db2.gz HPTKFPSSRUOCFD-AWEZNQCLSA-N 0 3 299.440 1.343 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000191186928 358118810 /nfs/dbraw/zinc/11/88/10/358118810.db2.gz AAPIVSVPSWVYNU-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000191186928 358118814 /nfs/dbraw/zinc/11/88/14/358118814.db2.gz AAPIVSVPSWVYNU-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COCCN(CCOC)Cc1cccc(C)c1O ZINC000124508857 360375156 /nfs/dbraw/zinc/37/51/56/360375156.db2.gz KYIBCRFIQZTHHB-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN COCC[NH+](CCOC)Cc1cccc(C)c1[O-] ZINC000124508857 360375158 /nfs/dbraw/zinc/37/51/58/360375158.db2.gz KYIBCRFIQZTHHB-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)CCC(=O)NC)c([O-])c1 ZINC000179411805 364991714 /nfs/dbraw/zinc/99/17/14/364991714.db2.gz LEEQOIZUIUOBKC-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)CCC(=O)NC)c([O-])c1 ZINC000179411805 364991721 /nfs/dbraw/zinc/99/17/21/364991721.db2.gz LEEQOIZUIUOBKC-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000273584269 365510329 /nfs/dbraw/zinc/51/03/29/365510329.db2.gz NIGJHMANOVRCLA-CHWSQXEVSA-N 0 3 294.395 1.772 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cc(F)ccc1[O-] ZINC000282835833 368061236 /nfs/dbraw/zinc/06/12/36/368061236.db2.gz VDUNVEQQXGPBIN-UHFFFAOYSA-N 0 3 257.305 1.362 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cc(F)ccc1[O-] ZINC000282835833 368061238 /nfs/dbraw/zinc/06/12/38/368061238.db2.gz VDUNVEQQXGPBIN-UHFFFAOYSA-N 0 3 257.305 1.362 20 10 CDCDHN CCCN(Cc1ccccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282842879 368063857 /nfs/dbraw/zinc/06/38/57/368063857.db2.gz CSZQNDNHXMPEHF-GFCCVEGCSA-N 0 3 276.336 1.362 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CC(C)(C)OCCO)cc1C ZINC000288324052 369431231 /nfs/dbraw/zinc/43/12/31/369431231.db2.gz ABSHNROLUGOEHO-UHFFFAOYSA-N 0 3 267.369 1.886 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(F)F)c1 ZINC000271858542 371082572 /nfs/dbraw/zinc/08/25/72/371082572.db2.gz SYFJMPXFEDCJJO-QMMMGPOBSA-N 0 3 288.294 1.433 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000295178930 371140632 /nfs/dbraw/zinc/14/06/32/371140632.db2.gz VKDYNBORGWEQDC-CYBMUJFWSA-N 0 3 294.351 1.673 20 10 CDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000295198263 371144774 /nfs/dbraw/zinc/14/47/74/371144774.db2.gz OTXGWLCFTSCROQ-SNVBAGLBSA-N 0 3 279.359 1.648 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000293589745 378575535 /nfs/dbraw/zinc/57/55/35/378575535.db2.gz FIHVPMSDYVLXFE-LBPRGKRZSA-N 0 3 253.342 1.669 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)CC2 ZINC000296444653 378721379 /nfs/dbraw/zinc/72/13/79/378721379.db2.gz MUULYGPEWLEGFQ-IHRRRGAJSA-N 0 3 277.364 1.614 20 10 CDCDHN COC[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000075594750 390675442 /nfs/dbraw/zinc/67/54/42/390675442.db2.gz VWORAGPKVPBEOC-ZDUSSCGKSA-N 0 3 264.369 1.852 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809167 390904263 /nfs/dbraw/zinc/90/42/63/390904263.db2.gz UWEMUIXQGAEPRQ-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809167 390904265 /nfs/dbraw/zinc/90/42/65/390904265.db2.gz UWEMUIXQGAEPRQ-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373143291 391107780 /nfs/dbraw/zinc/10/77/80/391107780.db2.gz WSJIKSSHOUMUGV-DZGCQCFKSA-N 0 3 281.327 1.959 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000174372152 391121286 /nfs/dbraw/zinc/12/12/86/391121286.db2.gz TVAAADMGHAVHCZ-CYBMUJFWSA-N 0 3 262.353 1.835 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000174372152 391121292 /nfs/dbraw/zinc/12/12/92/391121292.db2.gz TVAAADMGHAVHCZ-CYBMUJFWSA-N 0 3 262.353 1.835 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179562238 391210548 /nfs/dbraw/zinc/21/05/48/391210548.db2.gz LPQUINVTVHRJFE-OAHLLOKOSA-N 0 3 276.380 1.689 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179562238 391210550 /nfs/dbraw/zinc/21/05/50/391210550.db2.gz LPQUINVTVHRJFE-OAHLLOKOSA-N 0 3 276.380 1.689 20 10 CDCDHN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000179578868 391212939 /nfs/dbraw/zinc/21/29/39/391212939.db2.gz LMQNORYLFRIONK-LBPRGKRZSA-N 0 3 281.377 1.873 20 10 CDCDHN COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000179578868 391212943 /nfs/dbraw/zinc/21/29/43/391212943.db2.gz LMQNORYLFRIONK-LBPRGKRZSA-N 0 3 281.377 1.873 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183502180 391265854 /nfs/dbraw/zinc/26/58/54/391265854.db2.gz ZRRCKCFTMZFBOC-ZIAGYGMSSA-N 0 3 277.412 1.679 20 10 CDCDHN Oc1ccc(F)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000361049746 391678842 /nfs/dbraw/zinc/67/88/42/391678842.db2.gz DNSXRQXSIVLANF-GDBMZVCRSA-N 0 3 294.370 1.562 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175261 391841190 /nfs/dbraw/zinc/84/11/90/391841190.db2.gz GRQLWPAIVKMYIJ-NEPJUHHUSA-N 0 3 291.347 1.979 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175261 391841191 /nfs/dbraw/zinc/84/11/91/391841191.db2.gz GRQLWPAIVKMYIJ-NEPJUHHUSA-N 0 3 291.347 1.979 20 10 CDCDHN COC(=O)CC1([NH2+]Cc2cc(C)ccc2[O-])CCOCC1 ZINC000152541543 261065290 /nfs/dbraw/zinc/06/52/90/261065290.db2.gz QZVDHHKPWPHAPQ-UHFFFAOYSA-N 0 3 293.363 1.903 20 10 CDCDHN Cc1cccc(CN2CCN3CCOC[C@@H]3C2)c1O ZINC000363886020 262008359 /nfs/dbraw/zinc/00/83/59/262008359.db2.gz HTFQGAAEYFNSJB-AWEZNQCLSA-N 0 3 262.353 1.217 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCSCCCO ZINC000226606476 262379511 /nfs/dbraw/zinc/37/95/11/262379511.db2.gz MTBJNVQFDXUZOM-UHFFFAOYSA-N 0 3 259.346 1.737 20 10 CDCDHN CCNC(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000276822568 263038264 /nfs/dbraw/zinc/03/82/64/263038264.db2.gz ATLWPNCTNMFNDV-UHFFFAOYSA-N 0 3 280.343 1.927 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368131606 267146907 /nfs/dbraw/zinc/14/69/07/267146907.db2.gz AWNGWLCSTQFXGG-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368131606 267146910 /nfs/dbraw/zinc/14/69/10/267146910.db2.gz AWNGWLCSTQFXGG-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN CC(C)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000297002637 275642490 /nfs/dbraw/zinc/64/24/90/275642490.db2.gz SUPDBABVRGRJES-CHWSQXEVSA-N 0 3 274.364 1.978 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCOCCO)CC2 ZINC000296273064 304825982 /nfs/dbraw/zinc/82/59/82/304825982.db2.gz CIDGNUGTACHXTB-GFCCVEGCSA-N 0 3 251.326 1.368 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000272900308 328201253 /nfs/dbraw/zinc/20/12/53/328201253.db2.gz UYLMZRSTROEWSA-ABAIWWIYSA-N 0 3 265.353 1.830 20 10 CDCDHN C[C@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1[O-] ZINC000126320473 329591454 /nfs/dbraw/zinc/59/14/54/329591454.db2.gz WZMTVNUKLQGCET-SECBINFHSA-N 0 3 252.314 1.168 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccccc1[O-] ZINC000228055280 333293806 /nfs/dbraw/zinc/29/38/06/333293806.db2.gz HIVLFSLCHTXTNZ-OSAQELSMSA-N 0 3 265.353 1.973 20 10 CDCDHN CN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000581199677 336023664 /nfs/dbraw/zinc/02/36/64/336023664.db2.gz LDFVIWOHYOUFOH-JTQLQIEISA-N 0 3 263.341 1.086 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000071299505 521363788 /nfs/dbraw/zinc/36/37/88/521363788.db2.gz MQFATIIDLQKAON-GFCCVEGCSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000093502668 521331351 /nfs/dbraw/zinc/33/13/51/521331351.db2.gz SRIQDLNCUZHEAW-UHFFFAOYSA-N 0 3 283.368 1.214 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1[O-] ZINC000093502668 521331361 /nfs/dbraw/zinc/33/13/61/521331361.db2.gz SRIQDLNCUZHEAW-UHFFFAOYSA-N 0 3 283.368 1.214 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290113684 522209282 /nfs/dbraw/zinc/20/92/82/522209282.db2.gz LIIXWMQVRCHTKR-AWEZNQCLSA-N 0 3 296.436 1.667 20 10 CDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281003997 522687337 /nfs/dbraw/zinc/68/73/37/522687337.db2.gz NTPMXMZAVHRNPH-FZMZJTMJSA-N 0 3 279.380 1.929 20 10 CDCDHN COC[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000278682998 522750608 /nfs/dbraw/zinc/75/06/08/522750608.db2.gz PDVRVVKPHUDCMH-HOCLYGCPSA-N 0 3 277.364 1.905 20 10 CDCDHN CN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC000365827824 523787238 /nfs/dbraw/zinc/78/72/38/523787238.db2.gz DBNGVYASWCHEEU-UHFFFAOYSA-N 0 3 274.364 1.837 20 10 CDCDHN COCCOCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000044693650 524010375 /nfs/dbraw/zinc/01/03/75/524010375.db2.gz MBVZQWQWJZGAKZ-NSHDSACASA-N 0 3 269.341 1.714 20 10 CDCDHN COc1ccc(N2CCN(CCC3OCCO3)CC2)cc1 ZINC000123613909 524423563 /nfs/dbraw/zinc/42/35/63/524423563.db2.gz MYBGWDGRUAKHPM-UHFFFAOYSA-N 0 3 292.379 1.580 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278484819 525352797 /nfs/dbraw/zinc/35/27/97/525352797.db2.gz KFPFOAOHWIVRNM-AWEZNQCLSA-N 0 3 251.326 1.332 20 10 CDCDHN CSCC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000040464523 525578746 /nfs/dbraw/zinc/57/87/46/525578746.db2.gz WXNYDFDCLBHCHV-AWEZNQCLSA-N 0 3 295.452 1.791 20 10 CDCDHN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN1C1CC1 ZINC000279956328 526408922 /nfs/dbraw/zinc/40/89/22/526408922.db2.gz SOTOUQCXUCXJKN-CYBMUJFWSA-N 0 3 290.363 1.383 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)CC1CCC1)OCO2 ZINC000279615539 527578559 /nfs/dbraw/zinc/57/85/59/527578559.db2.gz AHUJNLVZAQDWDA-GFCCVEGCSA-N 0 3 279.336 1.762 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000725846571 574443963 /nfs/dbraw/zinc/44/39/63/574443963.db2.gz IBTBFPSGAXQIIT-CYBMUJFWSA-N 0 3 267.325 1.296 20 10 CDCDHN CC[N@H+](CCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732282071 575086487 /nfs/dbraw/zinc/08/64/87/575086487.db2.gz JHBBFALNGQZRRU-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CC[N@@H+](CCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732282071 575086488 /nfs/dbraw/zinc/08/64/88/575086488.db2.gz JHBBFALNGQZRRU-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CCN(CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732282071 575086489 /nfs/dbraw/zinc/08/64/89/575086489.db2.gz JHBBFALNGQZRRU-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768447260 576284177 /nfs/dbraw/zinc/28/41/77/576284177.db2.gz NTSKLWFVPCOSOT-CQSZACIVSA-N 0 3 293.363 1.819 20 10 CDCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768447260 576284178 /nfs/dbraw/zinc/28/41/78/576284178.db2.gz NTSKLWFVPCOSOT-CQSZACIVSA-N 0 3 293.363 1.819 20 10 CDCDHN C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462445 576286673 /nfs/dbraw/zinc/28/66/73/576286673.db2.gz LMTKLDPXELFCSG-IINYFYTJSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@H]1COCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462445 576286675 /nfs/dbraw/zinc/28/66/75/576286675.db2.gz LMTKLDPXELFCSG-IINYFYTJSA-N 0 3 279.336 1.429 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(O)(COC)CC2)c([O-])c1 ZINC000769452354 576355182 /nfs/dbraw/zinc/35/51/82/576355182.db2.gz XFCNYJGKSJCMBM-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2cnnn2C)cc1 ZINC000761220634 576560806 /nfs/dbraw/zinc/56/08/06/576560806.db2.gz HQFRLVRVOXYUOS-UHFFFAOYSA-N 0 3 289.383 1.392 20 10 CDCDHN CO[C@]1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000763479398 576738617 /nfs/dbraw/zinc/73/86/17/576738617.db2.gz IQJICLZOUDNNTQ-HNNXBMFYSA-N 0 3 265.353 1.904 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000756776061 577003800 /nfs/dbraw/zinc/00/38/00/577003800.db2.gz VHVJWAMSSJCSND-QKCSRTOESA-N 0 3 292.379 1.966 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000759174488 577157244 /nfs/dbraw/zinc/15/72/44/577157244.db2.gz UFJPWOARZHGPFE-NHYWBVRUSA-N 0 3 295.335 1.405 20 10 CDCDHN COCCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000123026973 1175247690 /nfs/dbraw/zinc/24/76/90/1175247690.db2.gz GTZSQFSJVSLNAH-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892792207 617752499 /nfs/dbraw/zinc/75/24/99/617752499.db2.gz RJGAULLTXAKTLR-ZYHUDNBSSA-N 0 3 269.366 1.305 20 10 CDCDHN COc1ccc(CNCC(=O)NC(C)C)c(O)c1OC ZINC000892409224 618163696 /nfs/dbraw/zinc/16/36/96/618163696.db2.gz YQMMLAHPTHDVQK-UHFFFAOYSA-N 0 3 282.340 1.024 20 10 CDCDHN COc1ccc(CNCc2cc(C)nn2C)c(O)c1OC ZINC000894287752 618487947 /nfs/dbraw/zinc/48/79/47/618487947.db2.gz REWDVCDAOJLEDZ-UHFFFAOYSA-N 0 3 291.351 1.741 20 10 CDCDHN CCS(=O)(=O)CCNCc1cc(C)cc(OC)c1O ZINC000894219146 618730931 /nfs/dbraw/zinc/73/09/31/618730931.db2.gz FQDHLIUQPHDITQ-UHFFFAOYSA-N 0 3 287.381 1.234 20 10 CDCDHN COc1cc(C)cc(CN2CCCN(C=O)CC2)c1O ZINC000895355045 619597820 /nfs/dbraw/zinc/59/78/20/619597820.db2.gz WSDASTZHDHMKCI-UHFFFAOYSA-N 0 3 278.352 1.373 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000877020851 1165960481 /nfs/dbraw/zinc/96/04/81/1165960481.db2.gz GCXSZDNUERBPBH-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN N[C@@H](Cc1ccncc1)C(=O)NCc1c(O)cccc1F ZINC001580369223 1172414412 /nfs/dbraw/zinc/41/44/12/1172414412.db2.gz TXUFHUIWLVDGDB-ZDUSSCGKSA-N 0 3 289.310 1.113 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CC[C@H](O)C1)CC2 ZINC000858601053 758858440 /nfs/dbraw/zinc/85/84/40/758858440.db2.gz AWPPLYQJYSUFIW-QWHCGFSZSA-N 0 3 262.353 1.036 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000779050920 758862395 /nfs/dbraw/zinc/86/23/95/758862395.db2.gz YWIDSOKIJOCSAI-LBPRGKRZSA-N 0 3 251.257 1.948 20 10 CDCDHN Cc1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC000877627106 758953257 /nfs/dbraw/zinc/95/32/57/758953257.db2.gz JKAZBVJGZUMEQO-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)C2CCC2)cc1 ZINC000399001030 768843046 /nfs/dbraw/zinc/84/30/46/768843046.db2.gz SRYPTDLGRIOKQG-HNNXBMFYSA-N 0 3 275.396 1.838 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000799163876 770113930 /nfs/dbraw/zinc/11/39/30/770113930.db2.gz OAMDSFCUXKIHLJ-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000799163876 770113996 /nfs/dbraw/zinc/11/39/96/770113996.db2.gz OAMDSFCUXKIHLJ-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC000776008340 770164212 /nfs/dbraw/zinc/16/42/12/770164212.db2.gz QPKKKIBSWHSUTO-MELADBBJSA-N 0 3 276.380 1.906 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@]1(O)CCCOC1)CC2 ZINC000846211022 770883485 /nfs/dbraw/zinc/88/34/85/770883485.db2.gz FLPCSTGFJURHRV-CZUORRHYSA-N 0 3 277.364 1.901 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(F)ccc1[O-] ZINC000094617262 771119666 /nfs/dbraw/zinc/11/96/66/771119666.db2.gz NPTJOIUWQJREFA-BXKDBHETSA-N 0 3 266.316 1.851 20 10 CDCDHN C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000927079493 771166638 /nfs/dbraw/zinc/16/66/38/771166638.db2.gz FEBCAMZLTRRVFO-PWSUYJOCSA-N 0 3 269.316 1.987 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000815101382 771286974 /nfs/dbraw/zinc/28/69/74/771286974.db2.gz XTTMHBPKLQKUFE-GOEBONIOSA-N 0 3 278.396 1.318 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120306 771888958 /nfs/dbraw/zinc/88/89/58/771888958.db2.gz DPLQFWMNQNDDEC-CQSZACIVSA-N 0 3 250.317 1.717 20 10 CDCDHN CCC[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817963709 771892723 /nfs/dbraw/zinc/89/27/23/771892723.db2.gz XGTFLSFJAQQVLM-NSHDSACASA-N 0 3 280.368 1.829 20 10 CDCDHN CN(C)c1ccc(CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000093520834 772334884 /nfs/dbraw/zinc/33/48/84/772334884.db2.gz SKTXATLFCQFPHY-UHFFFAOYSA-N 0 3 284.425 1.665 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1[O-] ZINC000843352143 772336710 /nfs/dbraw/zinc/33/67/10/772336710.db2.gz RAQBLZGUUMBRSV-UWVGGRQHSA-N 0 3 280.343 1.916 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000877497139 772390206 /nfs/dbraw/zinc/39/02/06/772390206.db2.gz GWGJHOPYMYWUTM-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000877497139 772390209 /nfs/dbraw/zinc/39/02/09/772390209.db2.gz GWGJHOPYMYWUTM-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)ccc1[O-] ZINC000840882149 772451791 /nfs/dbraw/zinc/45/17/91/772451791.db2.gz GJSROWDZTJVHOO-SECBINFHSA-N 0 3 287.356 1.759 20 10 CDCDHN COC(=O)N1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000796500545 772581811 /nfs/dbraw/zinc/58/18/11/772581811.db2.gz OISHBEVHKQDNDM-UHFFFAOYSA-N 0 3 278.352 1.960 20 10 CDCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])C[C@@H]2CCCCN12 ZINC000835075699 772777153 /nfs/dbraw/zinc/77/71/53/772777153.db2.gz ZOUIASPWPMMKFI-QWHCGFSZSA-N 0 3 260.337 1.635 20 10 CDCDHN NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180227511 772819976 /nfs/dbraw/zinc/81/99/76/772819976.db2.gz LIFHYZRUKWZYNF-JTQLQIEISA-N 0 3 266.316 1.619 20 10 CDCDHN NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180227511 772819977 /nfs/dbraw/zinc/81/99/77/772819977.db2.gz LIFHYZRUKWZYNF-JTQLQIEISA-N 0 3 266.316 1.619 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000834908901 772856632 /nfs/dbraw/zinc/85/66/32/772856632.db2.gz MQOMFVQOMMBREQ-XPTSAGLGSA-N 0 3 266.316 1.851 20 10 CDCDHN Cc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c([O-])c1 ZINC000877008031 772875861 /nfs/dbraw/zinc/87/58/61/772875861.db2.gz DSXROBQCPBBDHZ-UHFFFAOYSA-N 0 3 286.397 1.118 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(CC)C2=O)c([O-])c1 ZINC000922641143 772893892 /nfs/dbraw/zinc/89/38/92/772893892.db2.gz YDRLEXPWBUQLOK-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN COc1ccc(CNC/C=C/CO)cc1Cn1cccn1 ZINC000873135874 772905117 /nfs/dbraw/zinc/90/51/17/772905117.db2.gz OXQKAAMQZHAPGT-NSCUHMNNSA-N 0 3 287.363 1.578 20 10 CDCDHN CCn1nccc1CNCc1cc(OC)ccc1O ZINC000119224186 773023486 /nfs/dbraw/zinc/02/34/86/773023486.db2.gz WPYCIYIPVQBZEV-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000817412269 773298492 /nfs/dbraw/zinc/29/84/92/773298492.db2.gz HMOXKOWUZKHURU-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000817412269 773298514 /nfs/dbraw/zinc/29/85/14/773298514.db2.gz HMOXKOWUZKHURU-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)CCOC)c([O-])c1 ZINC000798505720 773307132 /nfs/dbraw/zinc/30/71/32/773307132.db2.gz UXLWRHFBGDEUHN-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN CCn1cnnc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783522429 773319421 /nfs/dbraw/zinc/31/94/21/773319421.db2.gz NUBFAWKVUUGCCF-LLVKDONJSA-N 0 3 260.341 1.897 20 10 CDCDHN COc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794391066 773356675 /nfs/dbraw/zinc/35/66/75/773356675.db2.gz UDGQBFWWLXPFDH-TXEJJXNPSA-N 0 3 292.379 1.890 20 10 CDCDHN Cc1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 ZINC000876664661 773395162 /nfs/dbraw/zinc/39/51/62/773395162.db2.gz DCSHDLRAVYNKHG-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1[O-] ZINC000717355558 773560751 /nfs/dbraw/zinc/56/07/51/773560751.db2.gz VJEZKOXBXKKGOW-YPMHNXCESA-N 0 3 252.358 1.355 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)CC2CC2)c([O-])c1 ZINC001249171129 912460106 /nfs/dbraw/zinc/46/01/06/912460106.db2.gz AFTXNVRSEBUFGI-UHFFFAOYSA-N 0 3 263.337 1.950 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC2CC2)c([O-])c1 ZINC001249171129 912460114 /nfs/dbraw/zinc/46/01/14/912460114.db2.gz AFTXNVRSEBUFGI-UHFFFAOYSA-N 0 3 263.337 1.950 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H](O)[C@H](F)CC2)cc1O ZINC001233483365 912819558 /nfs/dbraw/zinc/81/95/58/912819558.db2.gz XGMXBCWTTHJNMN-NXEZZACHSA-N 0 3 271.288 1.098 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H](F)[C@@H](O)CC2)cc1O ZINC001233483368 912823270 /nfs/dbraw/zinc/82/32/70/912823270.db2.gz XGMXBCWTTHJNMN-ZJUUUORDSA-N 0 3 271.288 1.098 20 10 CDCDHN O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000694583680 898555682 /nfs/dbraw/zinc/55/56/82/898555682.db2.gz GNNUJVMGKLRGTK-CHWSQXEVSA-N 0 3 295.404 1.936 20 10 CDCDHN C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311954027 899126207 /nfs/dbraw/zinc/12/62/07/899126207.db2.gz YGLJHKFYIOADAE-NVBFEUDRSA-N 0 3 263.337 1.509 20 10 CDCDHN O=C1CC[C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])CCN12 ZINC001172164993 911412205 /nfs/dbraw/zinc/41/22/05/911412205.db2.gz LRBIBFMZFJAZJA-VXGBXAGGSA-N 0 3 276.336 1.341 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001204277327 916570585 /nfs/dbraw/zinc/57/05/85/916570585.db2.gz ZMPKXOREMKVUST-RYUDHWBXSA-N 0 3 255.289 1.393 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001204277327 916570600 /nfs/dbraw/zinc/57/06/00/916570600.db2.gz ZMPKXOREMKVUST-RYUDHWBXSA-N 0 3 255.289 1.393 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278325 916582914 /nfs/dbraw/zinc/58/29/14/916582914.db2.gz DLKXTXAHWRGRBU-ZYHUDNBSSA-N 0 3 279.336 1.729 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278325 916582924 /nfs/dbraw/zinc/58/29/24/916582924.db2.gz DLKXTXAHWRGRBU-ZYHUDNBSSA-N 0 3 279.336 1.729 20 10 CDCDHN COCCCN1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238060336 917784969 /nfs/dbraw/zinc/78/49/69/917784969.db2.gz AASJVPOOLFLDTI-UHFFFAOYSA-N 0 3 296.386 1.994 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001140950108 936783175 /nfs/dbraw/zinc/78/31/75/936783175.db2.gz NKQQUUBFJAXVOU-OLZOCXBDSA-N 0 3 260.337 1.221 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001140950108 936783176 /nfs/dbraw/zinc/78/31/76/936783176.db2.gz NKQQUUBFJAXVOU-OLZOCXBDSA-N 0 3 260.337 1.221 20 10 CDCDHN Cc1ccc(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001140950767 936783335 /nfs/dbraw/zinc/78/33/35/936783335.db2.gz HNAIRYVXNRPXPG-UHFFFAOYSA-N 0 3 291.395 1.082 20 10 CDCDHN O=C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CCN1 ZINC001141074401 936809184 /nfs/dbraw/zinc/80/91/84/936809184.db2.gz HMHJXXKOSDYVAC-UHFFFAOYSA-N 0 3 299.418 1.707 20 10 CDCDHN O=C1OCCC12CCN(Cc1cc(O)ccc1O)CC2 ZINC001141162434 936822961 /nfs/dbraw/zinc/82/29/61/936822961.db2.gz RJSVALKRVDABNL-UHFFFAOYSA-N 0 3 277.320 1.627 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)CC(C)(C)[NH3+])c1[O-] ZINC000852755013 927861998 /nfs/dbraw/zinc/86/19/98/927861998.db2.gz TXABDHIGEBMAMX-UHFFFAOYSA-N 0 3 268.332 1.903 20 10 CDCDHN CN1CCOc2c1cnnc2NCc1ccc(O)c(O)c1 ZINC001169991058 928863350 /nfs/dbraw/zinc/86/33/50/928863350.db2.gz XLSGYUAMFARBFR-UHFFFAOYSA-N 0 3 288.307 1.329 20 10 CDCDHN COC(=O)N1CCCN(Cc2ccccc2O)CC1 ZINC001203549917 939692879 /nfs/dbraw/zinc/69/28/79/939692879.db2.gz CRSLXCDQYLOCNV-UHFFFAOYSA-N 0 3 264.325 1.666 20 10 CDCDHN COC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203549917 939692880 /nfs/dbraw/zinc/69/28/80/939692880.db2.gz CRSLXCDQYLOCNV-UHFFFAOYSA-N 0 3 264.325 1.666 20 10 CDCDHN COC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203549917 939692881 /nfs/dbraw/zinc/69/28/81/939692881.db2.gz CRSLXCDQYLOCNV-UHFFFAOYSA-N 0 3 264.325 1.666 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001203620796 939697214 /nfs/dbraw/zinc/69/72/14/939697214.db2.gz IKBOIVWUBPWRKT-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001203620796 939697215 /nfs/dbraw/zinc/69/72/15/939697215.db2.gz IKBOIVWUBPWRKT-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]1CC[C@H](CO)CN1Cc1ccc(O)c(O)c1 ZINC001203874977 939710416 /nfs/dbraw/zinc/71/04/16/939710416.db2.gz GFZHPNDHSDWSTN-JQWIXIFHSA-N 0 3 251.326 1.691 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882518 939711601 /nfs/dbraw/zinc/71/16/01/939711601.db2.gz KDKNHRQVIORHDN-ZYHUDNBSSA-N 0 3 279.336 1.729 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001204276570 939750763 /nfs/dbraw/zinc/75/07/63/939750763.db2.gz NKCWNKAQHHWMSJ-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001204276570 939750764 /nfs/dbraw/zinc/75/07/64/939750764.db2.gz NKCWNKAQHHWMSJ-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccccc1O ZINC000400752419 940854617 /nfs/dbraw/zinc/85/46/17/940854617.db2.gz DHFCBDDCRXEHCG-CMPLNLGQSA-N 0 3 250.342 1.772 20 10 CDCDHN CN(C)c1ccc(CN2CCCC23COC3)c(O)c1 ZINC001232838057 943415239 /nfs/dbraw/zinc/41/52/39/943415239.db2.gz AGNGQDCLKWVHNM-UHFFFAOYSA-N 0 3 262.353 1.823 20 10 CDCDHN CC(C)N1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009814 943459821 /nfs/dbraw/zinc/45/98/21/943459821.db2.gz CCSDEPWDOPSPBR-UHFFFAOYSA-N 0 3 266.341 1.329 20 10 CDCDHN CN(CCc1ccncc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014106 943463507 /nfs/dbraw/zinc/46/35/07/943463507.db2.gz ZHZSVXOLYVBTQI-UHFFFAOYSA-N 0 3 274.320 1.873 20 10 CDCDHN CCOC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485483 943592440 /nfs/dbraw/zinc/59/24/40/943592440.db2.gz XLJXZXCAKNENLL-UHFFFAOYSA-N 0 3 267.325 1.804 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)[C@H]1C ZINC001233485903 943593722 /nfs/dbraw/zinc/59/37/22/943593722.db2.gz PQPQJVRSEWUACY-ONGXEEELSA-N 0 3 295.335 1.577 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487664 943595145 /nfs/dbraw/zinc/59/51/45/943595145.db2.gz NKPFEVJAMYNFEL-JTQLQIEISA-N 0 3 295.335 1.579 20 10 CDCDHN CO[C@@H](C)C1CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487129 943595734 /nfs/dbraw/zinc/59/57/34/943595734.db2.gz RCPQTHLNAPFNBX-QMMMGPOBSA-N 0 3 253.298 1.270 20 10 CDCDHN [O-]c1c(C[N@H+]2C[C@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001235001240 944003779 /nfs/dbraw/zinc/00/37/79/944003779.db2.gz LCAZDNDIIMLTRJ-NVXWUHKLSA-N 0 3 299.370 1.844 20 10 CDCDHN [O-]c1c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cccc1-c1ccccc1 ZINC001235001240 944003785 /nfs/dbraw/zinc/00/37/85/944003785.db2.gz LCAZDNDIIMLTRJ-NVXWUHKLSA-N 0 3 299.370 1.844 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001236202192 944429811 /nfs/dbraw/zinc/42/98/11/944429811.db2.gz RNYVHCUOJJJZGW-PWSUYJOCSA-N 0 3 298.770 1.429 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001237042751 944642872 /nfs/dbraw/zinc/64/28/72/944642872.db2.gz GTUILKCNBMDXCI-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001237042751 944642879 /nfs/dbraw/zinc/64/28/79/944642879.db2.gz GTUILKCNBMDXCI-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001257043632 948495989 /nfs/dbraw/zinc/49/59/89/948495989.db2.gz XSQIVPZUDQZQSI-PWSUYJOCSA-N 0 3 279.336 1.919 20 10 CDCDHN COc1cccc([C@H](C)NCC(=O)NCC(C)C)c1O ZINC001329675555 956055097 /nfs/dbraw/zinc/05/50/97/956055097.db2.gz PUZRKAZFVJWTHX-NSHDSACASA-N 0 3 280.368 1.824 20 10 CDCDHN O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1cc([O-])cs1 ZINC001304527096 956199226 /nfs/dbraw/zinc/19/92/26/956199226.db2.gz ZVDAATBYZFCMIU-SNVBAGLBSA-N 0 3 266.366 1.525 20 10 CDCDHN O=C(NC[C@@H]1CN2CCC1CC2)C1=CC(=O)CS1 ZINC001304527096 956199233 /nfs/dbraw/zinc/19/92/33/956199233.db2.gz ZVDAATBYZFCMIU-SNVBAGLBSA-N 0 3 266.366 1.525 20 10 CDCDHN COc1cc(C)c(C[NH2+]CCC2(CO)CC2)c([O-])c1 ZINC001308766665 956574656 /nfs/dbraw/zinc/57/46/56/956574656.db2.gz RWGFUCGNCUXQOP-UHFFFAOYSA-N 0 3 265.353 1.961 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CC(C)(C)O)c1 ZINC000093414703 342428160 /nfs/dbraw/zinc/42/81/60/342428160.db2.gz HBTJDZPEIFVTEF-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000093414703 342428161 /nfs/dbraw/zinc/42/81/61/342428161.db2.gz HBTJDZPEIFVTEF-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@](C)(O)C2)cc1F ZINC000271235206 282289762 /nfs/dbraw/zinc/28/97/62/282289762.db2.gz WJGZXJZHPRNOIE-AWEZNQCLSA-N 0 3 252.333 1.848 20 10 CDCDHN Cc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000295124821 199358190 /nfs/dbraw/zinc/35/81/90/199358190.db2.gz NTJALKXLKREAJP-HNNXBMFYSA-N 0 3 278.396 1.637 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180681574 357283271 /nfs/dbraw/zinc/28/32/71/357283271.db2.gz GGIJNZSLPLNXPL-JTQLQIEISA-N 0 3 296.367 1.223 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180681574 357283273 /nfs/dbraw/zinc/28/32/73/357283273.db2.gz GGIJNZSLPLNXPL-JTQLQIEISA-N 0 3 296.367 1.223 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1OC ZINC000187675222 357794054 /nfs/dbraw/zinc/79/40/54/357794054.db2.gz HOJZWTPDUJSGMX-VXGBXAGGSA-N 0 3 281.352 1.803 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000294821381 199199009 /nfs/dbraw/zinc/19/90/09/199199009.db2.gz OXHBTYPSXYHLRG-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cccc(C[NH2+]CCC(C)(C)CO)c1[O-] ZINC000294915729 199245962 /nfs/dbraw/zinc/24/59/62/199245962.db2.gz YIMXOVKMFVYGJE-UHFFFAOYSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000282434961 359600134 /nfs/dbraw/zinc/60/01/34/359600134.db2.gz ROPOVUVQBMOLRK-GOSISDBHSA-N 0 3 269.366 1.402 20 10 CDCDHN C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615460 359704983 /nfs/dbraw/zinc/70/49/83/359704983.db2.gz JLXAOZBMJIHEPA-VVVCHXIZSA-N 0 3 259.346 1.778 20 10 CDCDHN CCOc1ccc(O)c(CN2CC(C(C)(C)O)C2)c1 ZINC000297518712 200216929 /nfs/dbraw/zinc/21/69/29/200216929.db2.gz XYFUHHJJKBCOEI-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000269359683 364183295 /nfs/dbraw/zinc/18/32/95/364183295.db2.gz JBBDTMCNNITMDX-LLVKDONJSA-N 0 3 293.319 1.648 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000269359683 364183301 /nfs/dbraw/zinc/18/33/01/364183301.db2.gz JBBDTMCNNITMDX-LLVKDONJSA-N 0 3 293.319 1.648 20 10 CDCDHN CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(CC)CC ZINC000269204822 364156251 /nfs/dbraw/zinc/15/62/51/364156251.db2.gz MYXQCOAWIVOHMN-CYBMUJFWSA-N 0 3 294.395 1.877 20 10 CDCDHN CCOCc1cc(CNC[C@H](COC)OC)ccc1OC ZINC000272627297 365328318 /nfs/dbraw/zinc/32/83/18/365328318.db2.gz AEFHJOXFNNIHDP-OAHLLOKOSA-N 0 3 297.395 1.983 20 10 CDCDHN Cc1n[nH]c(CC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000296469895 371440006 /nfs/dbraw/zinc/44/00/06/371440006.db2.gz OIBPCWFCEKMCOO-NSHDSACASA-N 0 3 258.325 1.638 20 10 CDCDHN CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296770547 371908818 /nfs/dbraw/zinc/90/88/18/371908818.db2.gz KMVQVXWZVJCIKM-OLZOCXBDSA-N 0 3 274.364 1.980 20 10 CDCDHN CCCOc1ccc(C[N@H+](CCO)CCCO)c([O-])c1 ZINC000093324080 390901795 /nfs/dbraw/zinc/90/17/95/390901795.db2.gz UVNOWZWUVGNQRJ-UHFFFAOYSA-N 0 3 283.368 1.358 20 10 CDCDHN CCCOc1ccc(C[N@@H+](CCO)CCCO)c([O-])c1 ZINC000093324080 390901797 /nfs/dbraw/zinc/90/17/97/390901797.db2.gz UVNOWZWUVGNQRJ-UHFFFAOYSA-N 0 3 283.368 1.358 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C2(CO)CCC2)c1 ZINC000178638919 391189951 /nfs/dbraw/zinc/18/99/51/391189951.db2.gz BGRWWHZRCCNPMM-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN CCOc1cccc(CN2CCC[C@@H](OCCO)C2)c1O ZINC000179574463 391211521 /nfs/dbraw/zinc/21/15/21/391211521.db2.gz CVQMYEGYPGBUOD-CQSZACIVSA-N 0 3 295.379 1.764 20 10 CDCDHN CNC(=O)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179578418 391212706 /nfs/dbraw/zinc/21/27/06/391212706.db2.gz XVZRUROSXVCTPZ-UHFFFAOYSA-N 0 3 262.353 1.740 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179578981 391213034 /nfs/dbraw/zinc/21/30/34/391213034.db2.gz KVGYASHYMKFKDR-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179578981 391213035 /nfs/dbraw/zinc/21/30/35/391213035.db2.gz KVGYASHYMKFKDR-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN1CCN(C)CC1 ZINC000183491664 391266074 /nfs/dbraw/zinc/26/60/74/391266074.db2.gz MSVSGAPTXDNGPV-CABCVRRESA-N 0 3 291.439 1.926 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)CNC[C@H]1CCCO1 ZINC000237167841 391280790 /nfs/dbraw/zinc/28/07/90/391280790.db2.gz ICVHSCPWBVQEPN-CYBMUJFWSA-N 0 3 278.352 1.119 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)OCCO)c1 ZINC000288414991 392728145 /nfs/dbraw/zinc/72/81/45/392728145.db2.gz JEFKZYSLGGFTHM-UHFFFAOYSA-N 0 3 253.342 1.578 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1[O-] ZINC000020141608 171027961 /nfs/dbraw/zinc/02/79/61/171027961.db2.gz ZGLJZFAZQIIXRV-ZDUSSCGKSA-N 0 3 264.369 1.765 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035601341 172289748 /nfs/dbraw/zinc/28/97/48/172289748.db2.gz VWIJBGBQCGHFDU-OAHLLOKOSA-N 0 3 259.305 1.921 20 10 CDCDHN CN(C)CCn1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000166727818 227125950 /nfs/dbraw/zinc/12/59/50/227125950.db2.gz LZCCYSGUKIWVLK-UHFFFAOYSA-N 0 3 287.367 1.208 20 10 CDCDHN CCOCc1cc(CN[C@@]2(CO)CCOC2)ccc1OC ZINC000184182853 262012144 /nfs/dbraw/zinc/01/21/44/262012144.db2.gz NECALEZHUOOXQJ-MRXNPFEDSA-N 0 3 295.379 1.473 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1C ZINC000299251200 263236337 /nfs/dbraw/zinc/23/63/37/263236337.db2.gz OVDPHIOBBHHSFJ-CYBMUJFWSA-N 0 3 277.368 1.628 20 10 CDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000368975404 267215461 /nfs/dbraw/zinc/21/54/61/267215461.db2.gz RAYGUIVNLZQVMN-JKOKRWQUSA-N 0 3 260.337 1.478 20 10 CDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000368975404 267215465 /nfs/dbraw/zinc/21/54/65/267215465.db2.gz RAYGUIVNLZQVMN-JKOKRWQUSA-N 0 3 260.337 1.478 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000377275795 268063190 /nfs/dbraw/zinc/06/31/90/268063190.db2.gz BISDVRDVXYTPQX-GFCCVEGCSA-N 0 3 262.288 1.570 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000377275795 268063194 /nfs/dbraw/zinc/06/31/94/268063194.db2.gz BISDVRDVXYTPQX-GFCCVEGCSA-N 0 3 262.288 1.570 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529669257 281352546 /nfs/dbraw/zinc/35/25/46/281352546.db2.gz TXNHKGUZVKTTQH-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529669257 281352548 /nfs/dbraw/zinc/35/25/48/281352548.db2.gz TXNHKGUZVKTTQH-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COCCOC[C@@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093755232 327199943 /nfs/dbraw/zinc/19/99/43/327199943.db2.gz JJZROHSAYVRNPN-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093755232 327199944 /nfs/dbraw/zinc/19/99/44/327199944.db2.gz JJZROHSAYVRNPN-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(F)ccc1[O-] ZINC000228059080 333293940 /nfs/dbraw/zinc/29/39/40/333293940.db2.gz JCHNBXYDTOJYLR-RBZYPMLTSA-N 0 3 269.316 1.722 20 10 CDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(N)cc1 ZINC000236848833 333375991 /nfs/dbraw/zinc/37/59/91/333375991.db2.gz GMSSRTSCXOIEJB-CVEARBPZSA-N 0 3 287.407 1.897 20 10 CDCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC1 ZINC000135204675 334119597 /nfs/dbraw/zinc/11/95/97/334119597.db2.gz VKVIYUQZRFAUCM-VHSXEESVSA-N 0 3 265.309 1.636 20 10 CDCDHN CCN(CC)c1ccc(CN(C)CC(C)(CO)CO)cc1 ZINC000093502895 520891759 /nfs/dbraw/zinc/89/17/59/520891759.db2.gz AQSQZDCCDPKXDP-UHFFFAOYSA-N 0 3 294.439 1.956 20 10 CDCDHN CN(C)c1ccc(CN[C@]2(CCO)CCOC2)cc1F ZINC000278518616 522214785 /nfs/dbraw/zinc/21/47/85/522214785.db2.gz RJUAZKUGSMAIPR-OAHLLOKOSA-N 0 3 282.359 1.523 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CO)c1[O-] ZINC000228672155 522540540 /nfs/dbraw/zinc/54/05/40/522540540.db2.gz DIDQDQFTYWSUAN-MRVPVSSYSA-N 0 3 259.733 1.772 20 10 CDCDHN C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCCN1 ZINC000237761344 525207335 /nfs/dbraw/zinc/20/73/35/525207335.db2.gz IWLFJSSUCCAZQP-OAHLLOKOSA-N 0 3 261.369 1.460 20 10 CDCDHN Cc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1 ZINC000279885433 525345787 /nfs/dbraw/zinc/34/57/87/525345787.db2.gz UUVZDLKOQXHGNX-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000279885433 525345793 /nfs/dbraw/zinc/34/57/93/525345793.db2.gz UUVZDLKOQXHGNX-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000071407214 525353345 /nfs/dbraw/zinc/35/33/45/525353345.db2.gz HSQLOCLDFUTINM-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN Cc1cc(C[N@@H+]2CCCNC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001600197082 1174401777 /nfs/dbraw/zinc/40/17/77/1174401777.db2.gz REIDZDKSZYUFSI-OAHLLOKOSA-N 0 3 291.395 1.310 20 10 CDCDHN Cc1cc(C[N@H+]2CCCNC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001600197082 1174401780 /nfs/dbraw/zinc/40/17/80/1174401780.db2.gz REIDZDKSZYUFSI-OAHLLOKOSA-N 0 3 291.395 1.310 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)CCOC)c([O-])c1 ZINC000734846792 575387619 /nfs/dbraw/zinc/38/76/19/575387619.db2.gz RBCFPBQAWDSFCZ-HNNXBMFYSA-N 0 3 283.368 1.668 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@@H]1O ZINC000770378259 575474403 /nfs/dbraw/zinc/47/44/03/575474403.db2.gz HAEKQPARSQDECP-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@@H]1O ZINC000770378259 575474404 /nfs/dbraw/zinc/47/44/04/575474404.db2.gz HAEKQPARSQDECP-PWSUYJOCSA-N 0 3 251.326 1.604 20 10 CDCDHN CC(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000773018095 575774415 /nfs/dbraw/zinc/77/44/15/575774415.db2.gz HENWHKLSXQSKEI-WDEREUQCSA-N 0 3 298.408 1.363 20 10 CDCDHN C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768447063 576284149 /nfs/dbraw/zinc/28/41/49/576284149.db2.gz QRCNXUNZDWQDFV-IUODEOHRSA-N 0 3 292.379 1.344 20 10 CDCDHN COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446384 576284192 /nfs/dbraw/zinc/28/41/92/576284192.db2.gz JZYYUDAOBIQNQW-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446384 576284193 /nfs/dbraw/zinc/28/41/93/576284193.db2.gz JZYYUDAOBIQNQW-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000769483544 576357802 /nfs/dbraw/zinc/35/78/02/576357802.db2.gz OHUFRCVQRGYRKS-HIFRSBDPSA-N 0 3 292.379 1.306 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743638982 576648751 /nfs/dbraw/zinc/64/87/51/576648751.db2.gz TXDKJZPSVDYLRB-IUCAKERBSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743638982 576648752 /nfs/dbraw/zinc/64/87/52/576648752.db2.gz TXDKJZPSVDYLRB-IUCAKERBSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000743638982 576648753 /nfs/dbraw/zinc/64/87/53/576648753.db2.gz TXDKJZPSVDYLRB-IUCAKERBSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322740 576905613 /nfs/dbraw/zinc/90/56/13/576905613.db2.gz UHLYWQUPTKYMJU-GXSJLCMTSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322740 576905614 /nfs/dbraw/zinc/90/56/14/576905614.db2.gz UHLYWQUPTKYMJU-GXSJLCMTSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322740 576905615 /nfs/dbraw/zinc/90/56/15/576905615.db2.gz UHLYWQUPTKYMJU-GXSJLCMTSA-N 0 3 268.382 1.866 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN2CCOC[C@H]2C1 ZINC000840938415 617615945 /nfs/dbraw/zinc/61/59/45/617615945.db2.gz DSGCYNXWVKWLAZ-QGZVFWFLSA-N 0 3 289.423 1.577 20 10 CDCDHN COC(=O)[C@H]1[C@@H](CNCc2ccc3c(c2)CCO3)C1(F)F ZINC000894213676 618729266 /nfs/dbraw/zinc/72/92/66/618729266.db2.gz PKACJZJUKLUENS-DGCLKSJQSA-N 0 3 297.301 1.765 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000894778916 619054281 /nfs/dbraw/zinc/05/42/81/619054281.db2.gz VERKAEAWRVSAIG-SECBINFHSA-N 0 3 276.340 1.987 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895746853 619821981 /nfs/dbraw/zinc/82/19/81/619821981.db2.gz GMUCAVSUGPEQNM-QWHCGFSZSA-N 0 3 269.316 1.551 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@H](CN)CC(C)C)ccc1[N+](=O)[O-] ZINC000841037607 621312671 /nfs/dbraw/zinc/31/26/71/621312671.db2.gz BCPIWOJEGNIRFC-NSHDSACASA-N 0 3 297.355 1.772 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000154125631 632052091 /nfs/dbraw/zinc/05/20/91/632052091.db2.gz QZCNBXSOEXZMDK-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN CC(C)(CNCc1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000921821350 633320625 /nfs/dbraw/zinc/32/06/25/633320625.db2.gz XNZQNAORDBRBFH-UHFFFAOYSA-N 0 3 297.420 1.924 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000877558534 779789460 /nfs/dbraw/zinc/78/94/60/779789460.db2.gz JPHCHNRZSFFOGL-CQSZACIVSA-N 0 3 278.396 1.637 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000876929517 773803950 /nfs/dbraw/zinc/80/39/50/773803950.db2.gz ZPAMSOCGNHYFNK-UHFFFAOYSA-N 0 3 286.397 1.072 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794817939 774068218 /nfs/dbraw/zinc/06/82/18/774068218.db2.gz RMTKMGLLFFQFJM-CQSZACIVSA-N 0 3 292.379 1.600 20 10 CDCDHN COc1cc(O)c(CN2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000775985538 774162124 /nfs/dbraw/zinc/16/21/24/774162124.db2.gz MURKAWZMANLBFC-NWDGAFQWSA-N 0 3 294.395 1.934 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000724874013 774189929 /nfs/dbraw/zinc/18/99/29/774189929.db2.gz SLTKYWPSZCECMV-HUUCEWRRSA-N 0 3 264.369 1.646 20 10 CDCDHN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)CN1 ZINC000841955448 774212628 /nfs/dbraw/zinc/21/26/28/774212628.db2.gz CGISXNWXPZZNGF-NEPJUHHUSA-N 0 3 276.384 1.203 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])[C@@H]1OC ZINC000877352445 774339567 /nfs/dbraw/zinc/33/95/67/774339567.db2.gz YHMPIDOPORHYFV-CFVMTHIKSA-N 0 3 265.353 1.983 20 10 CDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000842912774 774395083 /nfs/dbraw/zinc/39/50/83/774395083.db2.gz VXZNWLJLSFSXRG-XTWCZFFVSA-N 0 3 255.289 1.596 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1=CCCOC1 ZINC000853562310 774712048 /nfs/dbraw/zinc/71/20/48/774712048.db2.gz KFQCIOFPTRADTR-HNNXBMFYSA-N 0 3 291.347 1.597 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1=CCCOC1 ZINC000853562310 774712063 /nfs/dbraw/zinc/71/20/63/774712063.db2.gz KFQCIOFPTRADTR-HNNXBMFYSA-N 0 3 291.347 1.597 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000877025285 774736236 /nfs/dbraw/zinc/73/62/36/774736236.db2.gz FWUJRPHNVCHCOP-ZIAGYGMSSA-N 0 3 278.396 1.899 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000877130238 774812398 /nfs/dbraw/zinc/81/23/98/774812398.db2.gz KNVXBABUQDYTKV-IUODEOHRSA-N 0 3 292.379 1.426 20 10 CDCDHN C[NH2+]CCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000070303474 774837510 /nfs/dbraw/zinc/83/75/10/774837510.db2.gz SLXMKOXCIPBQAU-UHFFFAOYSA-N 0 3 254.305 1.385 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)c([O-])c1 ZINC000886745053 774873912 /nfs/dbraw/zinc/87/39/12/774873912.db2.gz MXOOFDYRQOSBPM-LLVKDONJSA-N 0 3 263.341 1.376 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1[O-] ZINC000817976780 775057146 /nfs/dbraw/zinc/05/71/46/775057146.db2.gz TXEZGJHKZYHIFI-MIMYLULJSA-N 0 3 256.296 1.882 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCC1(O)CCOCC1 ZINC000877515559 775096283 /nfs/dbraw/zinc/09/62/83/775096283.db2.gz JBTUQZDCVPZAAR-UHFFFAOYSA-N 0 3 265.353 1.722 20 10 CDCDHN CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000855162046 775122726 /nfs/dbraw/zinc/12/27/26/775122726.db2.gz UFSSTWHZKIDSFU-LLVKDONJSA-N 0 3 292.379 1.948 20 10 CDCDHN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000855162046 775122742 /nfs/dbraw/zinc/12/27/42/775122742.db2.gz UFSSTWHZKIDSFU-LLVKDONJSA-N 0 3 292.379 1.948 20 10 CDCDHN Cc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC000876679178 775287420 /nfs/dbraw/zinc/28/74/20/775287420.db2.gz NAHRVKZQJUALIK-UHFFFAOYSA-N 0 3 278.396 1.589 20 10 CDCDHN COc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)c(O)c1 ZINC000794378003 775390156 /nfs/dbraw/zinc/39/01/56/775390156.db2.gz SJMQIAPBHIFTLO-AWEZNQCLSA-N 0 3 280.368 1.603 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(C)cc1[O-] ZINC000858553252 775574410 /nfs/dbraw/zinc/57/44/10/775574410.db2.gz MYOWURDPUMKDRT-GZBFAFLISA-N 0 3 265.353 1.891 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc3cnccn23)c([O-])c1 ZINC000793388484 775819818 /nfs/dbraw/zinc/81/98/18/775819818.db2.gz OZFAXFAXVPEAIA-UHFFFAOYSA-N 0 3 284.319 1.733 20 10 CDCDHN C[C@@H](CCO)NCc1cc(F)c(N(C)C)cc1F ZINC000858140713 776027294 /nfs/dbraw/zinc/02/72/94/776027294.db2.gz DGOADAXCQDOGDB-VIFPVBQESA-N 0 3 258.312 1.891 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1(C)COC1 ZINC000863296488 776237134 /nfs/dbraw/zinc/23/71/34/776237134.db2.gz MUGQHTAVYPRZBC-ZDUSSCGKSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1(C)COC1 ZINC000863296488 776237145 /nfs/dbraw/zinc/23/71/45/776237145.db2.gz MUGQHTAVYPRZBC-ZDUSSCGKSA-N 0 3 279.336 1.286 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1[O-] ZINC000704388937 776532234 /nfs/dbraw/zinc/53/22/34/776532234.db2.gz WISMTNSTGQRCRG-LLVKDONJSA-N 0 3 298.770 1.765 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922101067 776868642 /nfs/dbraw/zinc/86/86/42/776868642.db2.gz STTAQZNFPQZCFN-XHDPSFHLSA-N 0 3 274.364 1.626 20 10 CDCDHN CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648298 776990000 /nfs/dbraw/zinc/99/00/00/776990000.db2.gz IYCSZXBVPVOPJY-LLVKDONJSA-N 0 3 294.351 1.064 20 10 CDCDHN C[C@@H]([NH3+])[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132625739 777006743 /nfs/dbraw/zinc/00/67/43/777006743.db2.gz GMZRGJMKAGHYHO-RNCFNFMXSA-N 0 3 270.760 1.594 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)[C@@H]1C ZINC000787421507 777048138 /nfs/dbraw/zinc/04/81/38/777048138.db2.gz STHJNGAUVINHGA-GHMZBOCLSA-N 0 3 279.336 1.784 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)[C@@H]1C ZINC000787421507 777048151 /nfs/dbraw/zinc/04/81/51/777048151.db2.gz STHJNGAUVINHGA-GHMZBOCLSA-N 0 3 279.336 1.784 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1[O-] ZINC000704388938 777102472 /nfs/dbraw/zinc/10/24/72/777102472.db2.gz WISMTNSTGQRCRG-NSHDSACASA-N 0 3 298.770 1.765 20 10 CDCDHN CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000312888318 777199723 /nfs/dbraw/zinc/19/97/23/777199723.db2.gz SBCLHQCYMBKZPX-UHFFFAOYSA-N 0 3 254.305 1.536 20 10 CDCDHN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccccc1[O-] ZINC000036794094 777251108 /nfs/dbraw/zinc/25/11/08/777251108.db2.gz MDGRUVQHHVTTLA-ZYHUDNBSSA-N 0 3 250.342 1.910 20 10 CDCDHN C[NH+](C)CC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000193163431 777437052 /nfs/dbraw/zinc/43/70/52/777437052.db2.gz BURRVUAICZPYOE-UHFFFAOYSA-N 0 3 292.379 1.950 20 10 CDCDHN COc1ccc(CNCC2OCCCO2)cc1C ZINC000716369303 777553768 /nfs/dbraw/zinc/55/37/68/777553768.db2.gz HUDPYDJEEFSHKT-UHFFFAOYSA-N 0 3 251.326 1.856 20 10 CDCDHN [O-]c1c(Cl)cccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827119515 778301490 /nfs/dbraw/zinc/30/14/90/778301490.db2.gz MQVGQIQFVAFWKD-CYBMUJFWSA-N 0 3 296.798 1.952 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000817966014 778625180 /nfs/dbraw/zinc/62/51/80/778625180.db2.gz ZEIGGCUPTBHOTR-RNCFNFMXSA-N 0 3 278.352 1.567 20 10 CDCDHN CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000778929184 778694639 /nfs/dbraw/zinc/69/46/39/778694639.db2.gz GLMCZWBQIMHKSK-ZDUSSCGKSA-N 0 3 266.341 1.300 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000790756991 778896370 /nfs/dbraw/zinc/89/63/70/778896370.db2.gz INYDWZUJQWCZLC-UONOGXRCSA-N 0 3 297.395 1.765 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000134226177 778967120 /nfs/dbraw/zinc/96/71/20/778967120.db2.gz QKNLLJJZALXFJN-CQSZACIVSA-N 0 3 273.332 1.922 20 10 CDCDHN O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2N1 ZINC000827132759 779206085 /nfs/dbraw/zinc/20/60/85/779206085.db2.gz OFIFAWZOQHSRKG-MFKMUULPSA-N 0 3 278.327 1.632 20 10 CDCDHN O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2N1 ZINC000827132759 779206101 /nfs/dbraw/zinc/20/61/01/779206101.db2.gz OFIFAWZOQHSRKG-MFKMUULPSA-N 0 3 278.327 1.632 20 10 CDCDHN Cc1cc(CNC2(C(N)=O)CCCC2)ccc1N(C)C ZINC000815070951 779379147 /nfs/dbraw/zinc/37/91/47/779379147.db2.gz AXWOLVXVOYZJBR-UHFFFAOYSA-N 0 3 275.396 1.949 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN(C)C(C)C)c1 ZINC000114543503 779438640 /nfs/dbraw/zinc/43/86/40/779438640.db2.gz GAGOXIGOJHKWOL-UHFFFAOYSA-N 0 3 266.341 1.357 20 10 CDCDHN CN1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000702603887 779529308 /nfs/dbraw/zinc/52/93/08/779529308.db2.gz ONAFPZNDDTWMAW-ZDUSSCGKSA-N 0 3 270.760 1.202 20 10 CDCDHN CNC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000839665390 779816442 /nfs/dbraw/zinc/81/64/42/779816442.db2.gz GWNPGGHISGTLII-UHFFFAOYSA-N 0 3 290.411 1.646 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c([O-])c1 ZINC000886229743 779878269 /nfs/dbraw/zinc/87/82/69/779878269.db2.gz VFXURQLOBVLOCI-UONOGXRCSA-N 0 3 295.379 1.811 20 10 CDCDHN COc1cccc(CN2CCC[C@@]23CCN(C)C3=O)c1O ZINC001272625830 914207338 /nfs/dbraw/zinc/20/73/38/914207338.db2.gz OUDUDMKFCNCDJS-INIZCTEOSA-N 0 3 290.363 1.598 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1ccc(OC)cc1[O-] ZINC000092380262 898201107 /nfs/dbraw/zinc/20/11/07/898201107.db2.gz AIWZKHAEHZGNQS-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1ccc(OC)cc1[O-] ZINC000092380262 898201091 /nfs/dbraw/zinc/20/10/91/898201091.db2.gz AIWZKHAEHZGNQS-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN Cc1cc(CN2CCN(CCCO)CC2)ccc1N(C)C ZINC001139670032 936329879 /nfs/dbraw/zinc/32/98/79/936329879.db2.gz WENSNNRQMCQXJM-UHFFFAOYSA-N 0 3 291.439 1.561 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(O)cc1O ZINC001204280706 916623179 /nfs/dbraw/zinc/62/31/79/916623179.db2.gz NEOZOERMHSDKDD-LBPRGKRZSA-N 0 3 264.325 1.150 20 10 CDCDHN CC(=O)N1CCN(Cc2c(C)cccc2O)C[C@@H]1C ZINC001237489781 917444573 /nfs/dbraw/zinc/44/45/73/917444573.db2.gz DGAJGFKKNXVWTE-LBPRGKRZSA-N 0 3 262.353 1.753 20 10 CDCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558550 919494928 /nfs/dbraw/zinc/49/49/28/919494928.db2.gz MVAGCKVMZQQVFE-CQSZACIVSA-N 0 3 292.379 1.509 20 10 CDCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558550 919494940 /nfs/dbraw/zinc/49/49/40/919494940.db2.gz MVAGCKVMZQQVFE-CQSZACIVSA-N 0 3 292.379 1.509 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001140058903 936675001 /nfs/dbraw/zinc/67/50/01/936675001.db2.gz NYBXHNTUTSYZIY-UHFFFAOYSA-N 0 3 276.315 1.960 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140056470 936675030 /nfs/dbraw/zinc/67/50/30/936675030.db2.gz YDTHGEQOGJVHFW-FZMZJTMJSA-N 0 3 292.354 1.974 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140056470 936675031 /nfs/dbraw/zinc/67/50/31/936675031.db2.gz YDTHGEQOGJVHFW-FZMZJTMJSA-N 0 3 292.354 1.974 20 10 CDCDHN Oc1cccc(F)c1CN1CCN([C@H]2CCOC2)CC1 ZINC001137831823 922460371 /nfs/dbraw/zinc/46/03/71/922460371.db2.gz OWIDEDRPCBKIHJ-LBPRGKRZSA-N 0 3 280.343 1.438 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CO)C2)c(OC)c1 ZINC001141027263 936794060 /nfs/dbraw/zinc/79/40/60/936794060.db2.gz SEZUWEHNPNSSGI-JTQLQIEISA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CO)C2)c(OC)c1 ZINC001141027263 936794062 /nfs/dbraw/zinc/79/40/62/936794062.db2.gz SEZUWEHNPNSSGI-JTQLQIEISA-N 0 3 267.325 1.224 20 10 CDCDHN C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000697579643 937284004 /nfs/dbraw/zinc/28/40/04/937284004.db2.gz HGDDKYOEGOTNFJ-IUCAKERBSA-N 0 3 275.345 1.615 20 10 CDCDHN [O-]c1cc(Br)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691476864 928970548 /nfs/dbraw/zinc/97/05/48/928970548.db2.gz KLCBBIMHIZBKRV-PHIMTYICSA-N 0 3 297.196 1.806 20 10 CDCDHN Cc1cccc(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c1O ZINC001276080478 932497262 /nfs/dbraw/zinc/49/72/62/932497262.db2.gz PGFPPYMFDKQUSA-UHFFFAOYSA-N 0 3 298.390 1.742 20 10 CDCDHN CN(C)C(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278255192 945214497 /nfs/dbraw/zinc/21/44/97/945214497.db2.gz OCLOAIMGZFOOKQ-UHFFFAOYSA-N 0 3 278.327 1.632 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001203628568 939697916 /nfs/dbraw/zinc/69/79/16/939697916.db2.gz CQGOGOUGLPYEPI-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001203628568 939697917 /nfs/dbraw/zinc/69/79/17/939697917.db2.gz CQGOGOUGLPYEPI-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN CN(C)c1ccc(CN2CCOC[C@@](C)(O)C2)cc1 ZINC001203931149 939714838 /nfs/dbraw/zinc/71/48/38/939714838.db2.gz NTENNVWORKEEEU-HNNXBMFYSA-N 0 3 264.369 1.336 20 10 CDCDHN Cc1cc(CN2C[C@@H](F)[C@@H](N)C2)ccc1N(C)C ZINC001204823259 939795010 /nfs/dbraw/zinc/79/50/10/939795010.db2.gz HVQCKLGVFYSYBO-OLZOCXBDSA-N 0 3 251.349 1.542 20 10 CDCDHN COCC1CN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231634591 942949619 /nfs/dbraw/zinc/94/96/19/942949619.db2.gz OZKPFZDKXCJRRD-UHFFFAOYSA-N 0 3 253.298 1.185 20 10 CDCDHN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232258751 943190261 /nfs/dbraw/zinc/19/02/61/943190261.db2.gz NKXYRKUIGMUQTK-JTQLQIEISA-N 0 3 270.760 1.887 20 10 CDCDHN CN(C)c1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001232838816 943415603 /nfs/dbraw/zinc/41/56/03/943415603.db2.gz JNYIYLJXFOZXRG-ZDUSSCGKSA-N 0 3 277.368 1.298 20 10 CDCDHN CCCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233012495 943461762 /nfs/dbraw/zinc/46/17/62/943461762.db2.gz JAZIIUJZDOOPCP-UHFFFAOYSA-N 0 3 266.341 1.331 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(O)c1 ZINC001233014971 943462856 /nfs/dbraw/zinc/46/28/56/943462856.db2.gz CQLHEFSQODKRCK-QWRGUYRKSA-N 0 3 264.325 1.082 20 10 CDCDHN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@H]1O ZINC001233482735 943591038 /nfs/dbraw/zinc/59/10/38/943591038.db2.gz AFWWZGAXSZKTFK-WCBMZHEXSA-N 0 3 253.298 1.006 20 10 CDCDHN O=C1CC[C@@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)O1 ZINC001233487058 943595851 /nfs/dbraw/zinc/59/58/51/943595851.db2.gz NTJFIQFNLOQPEY-OAHLLOKOSA-N 0 3 293.319 1.475 20 10 CDCDHN [NH3+][C@]12CC[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001235983183 944347188 /nfs/dbraw/zinc/34/71/88/944347188.db2.gz YLPSOXWJGAQCOP-GWCFXTLKSA-N 0 3 252.745 1.969 20 10 CDCDHN CCN(Cc1cc(OC)c(OC)cc1O)C1CN(C)C1 ZINC001236753025 944558355 /nfs/dbraw/zinc/55/83/55/944558355.db2.gz FVDKKIDOYZCUEK-UHFFFAOYSA-N 0 3 280.368 1.545 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001237485368 944810611 /nfs/dbraw/zinc/81/06/11/944810611.db2.gz OVJAENCVHHNOQJ-HNNXBMFYSA-N 0 3 260.337 1.413 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001237485368 944810621 /nfs/dbraw/zinc/81/06/21/944810621.db2.gz OVJAENCVHHNOQJ-HNNXBMFYSA-N 0 3 260.337 1.413 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC001238057135 945040638 /nfs/dbraw/zinc/04/06/38/945040638.db2.gz IUAVFQXKFNFFEZ-JTQLQIEISA-N 0 3 266.316 1.537 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC001238057135 945040646 /nfs/dbraw/zinc/04/06/46/945040646.db2.gz IUAVFQXKFNFFEZ-JTQLQIEISA-N 0 3 266.316 1.537 20 10 CDCDHN COC[C@@H]1CC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249217113 949459840 /nfs/dbraw/zinc/45/98/40/949459840.db2.gz MWMKJEUOWXAEBH-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN COC[C@@H]1CC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249217113 949459848 /nfs/dbraw/zinc/45/98/48/949459848.db2.gz MWMKJEUOWXAEBH-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001339876772 962599366 /nfs/dbraw/zinc/59/93/66/962599366.db2.gz YRBWOUMFNSWQMU-BBRMVZONSA-N 0 3 287.407 1.901 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219829093 346232259 /nfs/dbraw/zinc/23/22/59/346232259.db2.gz YNOJTPOEFWEWHQ-JTQLQIEISA-N 0 3 271.158 1.688 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000036794783 356884647 /nfs/dbraw/zinc/88/46/47/356884647.db2.gz SYKQWUHCGZPJKY-JQWIXIFHSA-N 0 3 250.342 1.958 20 10 CDCDHN CCOCCN1CCN(Cc2cccc(C)c2O)CC1 ZINC000179669334 357219638 /nfs/dbraw/zinc/21/96/38/357219638.db2.gz WJFWNXQQMIEAPT-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN Cc1cccc(CN(C)CCNC(=O)C(C)C)c1O ZINC000180797030 357289433 /nfs/dbraw/zinc/28/94/33/357289433.db2.gz PXQGGUFDDLLHIS-UHFFFAOYSA-N 0 3 264.369 1.905 20 10 CDCDHN C[C@]1(O)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000180198073 357250925 /nfs/dbraw/zinc/25/09/25/357250925.db2.gz JIQGHZCUNRXCTJ-ZDUSSCGKSA-N 0 3 251.282 1.078 20 10 CDCDHN C[C@]1(O)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000180198073 357250931 /nfs/dbraw/zinc/25/09/31/357250931.db2.gz JIQGHZCUNRXCTJ-ZDUSSCGKSA-N 0 3 251.282 1.078 20 10 CDCDHN C[C@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000180198073 357250937 /nfs/dbraw/zinc/25/09/37/357250937.db2.gz JIQGHZCUNRXCTJ-ZDUSSCGKSA-N 0 3 251.282 1.078 20 10 CDCDHN COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000051991446 357265047 /nfs/dbraw/zinc/26/50/47/357265047.db2.gz ZNQKEXFMNJIXGY-VXGBXAGGSA-N 0 3 251.326 1.794 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000180419160 357269820 /nfs/dbraw/zinc/26/98/20/357269820.db2.gz AKIMXZMCVCPNRN-GFCCVEGCSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000180419160 357269825 /nfs/dbraw/zinc/26/98/25/357269825.db2.gz AKIMXZMCVCPNRN-GFCCVEGCSA-N 0 3 279.336 1.928 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000188935099 357953976 /nfs/dbraw/zinc/95/39/76/357953976.db2.gz JIBOFQIRODMOAN-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000188935099 357953982 /nfs/dbraw/zinc/95/39/82/357953982.db2.gz JIBOFQIRODMOAN-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN FC(F)COCCNCc1ccc2c(c1)CCO2 ZINC000190898644 358099361 /nfs/dbraw/zinc/09/93/61/358099361.db2.gz IMTQSGJSKFXOJW-UHFFFAOYSA-N 0 3 257.280 1.993 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296897367 200029518 /nfs/dbraw/zinc/02/95/18/200029518.db2.gz OSPIYKLEHFFAKG-NWDGAFQWSA-N 0 3 251.326 1.367 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1[O-] ZINC000152486700 361281554 /nfs/dbraw/zinc/28/15/54/361281554.db2.gz AIPRDVJCJDGSGZ-GXFFZTMASA-N 0 3 285.409 1.993 20 10 CDCDHN C[S@@](=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000281724907 363841654 /nfs/dbraw/zinc/84/16/54/363841654.db2.gz ITVLHBFIXMFFKL-QGZVFWFLSA-N 0 3 257.330 1.532 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CCNC1=O ZINC000269456094 364198072 /nfs/dbraw/zinc/19/80/72/364198072.db2.gz GZDGEZASYAXEJC-AWEZNQCLSA-N 0 3 261.369 1.463 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c1 ZINC000271377498 364982012 /nfs/dbraw/zinc/98/20/12/364982012.db2.gz RBOIQEVTBPTTIP-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](O)[C@H](CC)C2)c1 ZINC000271377498 364982017 /nfs/dbraw/zinc/98/20/17/364982017.db2.gz RBOIQEVTBPTTIP-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c1 ZINC000271377525 364982587 /nfs/dbraw/zinc/98/25/87/364982587.db2.gz RBOIQEVTBPTTIP-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](O)[C@@H](CC)C2)c1 ZINC000271377525 364982592 /nfs/dbraw/zinc/98/25/92/364982592.db2.gz RBOIQEVTBPTTIP-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1[O-] ZINC000293800268 370803747 /nfs/dbraw/zinc/80/37/47/370803747.db2.gz UXXOFYIPRPIBJG-NSHDSACASA-N 0 3 260.341 1.804 20 10 CDCDHN COCCOCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000290238328 371276102 /nfs/dbraw/zinc/27/61/02/371276102.db2.gz ULIKCSPNWPEWKC-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN COCCOCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000290238328 371276106 /nfs/dbraw/zinc/27/61/06/371276106.db2.gz ULIKCSPNWPEWKC-UHFFFAOYSA-N 0 3 253.342 1.795 20 10 CDCDHN C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000295801137 371397086 /nfs/dbraw/zinc/39/70/86/371397086.db2.gz AHAKXXPGRWZQEP-NSHDSACASA-N 0 3 282.359 1.639 20 10 CDCDHN CC(C)[C@@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000116349593 374539634 /nfs/dbraw/zinc/53/96/34/374539634.db2.gz ROAMIVGINLILLP-NSHDSACASA-N 0 3 253.298 1.227 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296391306 378729051 /nfs/dbraw/zinc/72/90/51/378729051.db2.gz JVAYBLLZVZTXKE-GFCCVEGCSA-N 0 3 295.404 1.936 20 10 CDCDHN CCN(CCO)CC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000184542128 262022904 /nfs/dbraw/zinc/02/29/04/262022904.db2.gz YZYQPFPXZSYDBJ-UHFFFAOYSA-N 0 3 266.385 1.413 20 10 CDCDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccco1 ZINC000174527826 391124163 /nfs/dbraw/zinc/12/41/63/391124163.db2.gz GABWTAWNXWNSIW-OAHLLOKOSA-N 0 3 291.303 1.711 20 10 CDCDHN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179526200 391209171 /nfs/dbraw/zinc/20/91/71/391209171.db2.gz FJIJGIQNQDZEAB-LBPRGKRZSA-N 0 3 292.379 1.820 20 10 CDCDHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179526200 391209173 /nfs/dbraw/zinc/20/91/73/391209173.db2.gz FJIJGIQNQDZEAB-LBPRGKRZSA-N 0 3 292.379 1.820 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccccc1[O-] ZINC000020128398 171015232 /nfs/dbraw/zinc/01/52/32/171015232.db2.gz XUMAYFVUUAQTHJ-CQSZACIVSA-N 0 3 277.412 1.680 20 10 CDCDHN CCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000036780408 172696790 /nfs/dbraw/zinc/69/67/90/172696790.db2.gz YICHPMSMSZLPRB-SECBINFHSA-N 0 3 252.314 1.188 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060812 174071736 /nfs/dbraw/zinc/07/17/36/174071736.db2.gz XVFDLGQVYUCQPD-VXGBXAGGSA-N 0 3 251.326 1.767 20 10 CDCDHN CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)N(C)C ZINC000152503982 261064890 /nfs/dbraw/zinc/06/48/90/261064890.db2.gz JMANELFPCHATST-CQSZACIVSA-N 0 3 263.385 1.514 20 10 CDCDHN CC[C@H](C(=O)NCc1cccc(OC)c1O)N(C)C ZINC000155365558 261101348 /nfs/dbraw/zinc/10/13/48/261101348.db2.gz QAUVEVIHNPDIRP-LLVKDONJSA-N 0 3 266.341 1.357 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c([O-])c1 ZINC000186511321 262096503 /nfs/dbraw/zinc/09/65/03/262096503.db2.gz ASPVHCNDMYXJSC-LLVKDONJSA-N 0 3 288.351 1.504 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296703855 277222655 /nfs/dbraw/zinc/22/26/55/277222655.db2.gz HVTDIIQRMYDCMU-NSHDSACASA-N 0 3 262.353 1.741 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(O)c1O ZINC000272914737 328201537 /nfs/dbraw/zinc/20/15/37/328201537.db2.gz DNEFWWWWXSZIFO-DGCLKSJQSA-N 0 3 290.363 1.572 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCC1CC2 ZINC000188858604 329373765 /nfs/dbraw/zinc/37/37/65/329373765.db2.gz HSOHWQPIDRJYFX-DUXPYHPUSA-N 0 3 288.347 1.418 20 10 CDCDHN CCOCc1cc(CN[C@H]2COC[C@@H]2OC)ccc1OC ZINC000289924380 520187934 /nfs/dbraw/zinc/18/79/34/520187934.db2.gz VPJYUPWBETXXQP-HOCLYGCPSA-N 0 3 295.379 1.735 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)CC(C)(CO)CO)c([O-])c1 ZINC000093502806 520345771 /nfs/dbraw/zinc/34/57/71/520345771.db2.gz FSYFEWZMLBREFC-UHFFFAOYSA-N 0 3 297.395 1.604 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)CC(C)(CO)CO)c([O-])c1 ZINC000093502806 520345782 /nfs/dbraw/zinc/34/57/82/520345782.db2.gz FSYFEWZMLBREFC-UHFFFAOYSA-N 0 3 297.395 1.604 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000260202878 523716012 /nfs/dbraw/zinc/71/60/12/523716012.db2.gz VFSOYKQHURMXLN-CYBMUJFWSA-N 0 3 262.353 1.748 20 10 CDCDHN CN(C)C(=O)CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000069025056 523986125 /nfs/dbraw/zinc/98/61/25/523986125.db2.gz LTKPEDHYDJLKEX-UHFFFAOYSA-N 0 3 291.395 1.034 20 10 CDCDHN COCCOCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617988 524010921 /nfs/dbraw/zinc/01/09/21/524010921.db2.gz VMQNCSHZGYNASJ-SNVBAGLBSA-N 0 3 257.305 1.845 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278909084 524771098 /nfs/dbraw/zinc/77/10/98/524771098.db2.gz VQDLSILAAOKLPF-PGUXBMHVSA-N 0 3 281.352 1.591 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000280875745 525924218 /nfs/dbraw/zinc/92/42/18/525924218.db2.gz NZQJQXFOUNTIOY-BFHYXJOUSA-N 0 3 279.380 1.996 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000292609236 526023758 /nfs/dbraw/zinc/02/37/58/526023758.db2.gz HYOXCJBAGOBWOU-NEPJUHHUSA-N 0 3 267.325 1.030 20 10 CDCDHN COc1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000252706977 526039040 /nfs/dbraw/zinc/03/90/40/526039040.db2.gz VREGKZSDCSSFJG-HAQNSBGRSA-N 0 3 251.326 1.794 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278593142 527573789 /nfs/dbraw/zinc/57/37/89/527573789.db2.gz FCRNCGWKXMTAGH-ZDUSSCGKSA-N 0 3 255.289 1.162 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c([O-])c1 ZINC000725849635 574444666 /nfs/dbraw/zinc/44/46/66/574444666.db2.gz SOFCJBLHAKAAGD-LLVKDONJSA-N 0 3 273.336 1.912 20 10 CDCDHN CCCN(C)CC(=O)N(C)Cc1ccccc1O ZINC000730278322 574908692 /nfs/dbraw/zinc/90/86/92/574908692.db2.gz PKSAVFMOPTXQOZ-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCN(CCOC)C2)c([O-])c1 ZINC000730817105 575012480 /nfs/dbraw/zinc/01/24/80/575012480.db2.gz HJQYOCSGXVFUNW-AWEZNQCLSA-N 0 3 294.395 1.601 20 10 CDCDHN CCN1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768137560 575123352 /nfs/dbraw/zinc/12/33/52/575123352.db2.gz IPKYCANIQGHMMR-UHFFFAOYSA-N 0 3 250.342 1.538 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)C2CC2)c([O-])c1 ZINC000734163205 575161087 /nfs/dbraw/zinc/16/10/87/575161087.db2.gz BZZQKJYLWXBFCU-CYBMUJFWSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000769935735 575398774 /nfs/dbraw/zinc/39/87/74/575398774.db2.gz QBRIHGARBJWXCF-NSHDSACASA-N 0 3 294.351 1.721 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000770672601 575483989 /nfs/dbraw/zinc/48/39/89/575483989.db2.gz ARPDNUAQWLZUOZ-OAHLLOKOSA-N 0 3 297.326 1.733 20 10 CDCDHN Oc1cc2c(cc1CN1CCCOCC1)[C@@H](O)CO2 ZINC000768445778 576284041 /nfs/dbraw/zinc/28/40/41/576284041.db2.gz UIVMELBVDICEAW-ZDUSSCGKSA-N 0 3 265.309 1.040 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462077 576286297 /nfs/dbraw/zinc/28/62/97/576286297.db2.gz IVLLOPSHIPMIOK-ITDIGPHOSA-N 0 3 293.363 1.553 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462077 576286299 /nfs/dbraw/zinc/28/62/99/576286299.db2.gz IVLLOPSHIPMIOK-ITDIGPHOSA-N 0 3 293.363 1.553 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC000748558275 576917247 /nfs/dbraw/zinc/91/72/47/576917247.db2.gz XIHFZZYHULIGJQ-HNNXBMFYSA-N 0 3 275.396 1.805 20 10 CDCDHN COc1ccc(CNC[C@@H](O)C(F)(F)F)c(O)c1OC ZINC000892668785 617574876 /nfs/dbraw/zinc/57/48/76/617574876.db2.gz MWGUPXZKHJCIOD-SECBINFHSA-N 0 3 295.257 1.422 20 10 CDCDHN COc1cc(C)cc(CN[C@@H]2C(=O)NCC2(C)C)c1O ZINC000895325591 619562644 /nfs/dbraw/zinc/56/26/44/619562644.db2.gz SWKDKVHICZPYGO-CYBMUJFWSA-N 0 3 278.352 1.323 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(N)=O ZINC000157072121 630582825 /nfs/dbraw/zinc/58/28/25/630582825.db2.gz HJMUKPZGTPFVSG-JTQLQIEISA-N 0 3 279.340 1.188 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(N)=O ZINC000157072121 630582827 /nfs/dbraw/zinc/58/28/27/630582827.db2.gz HJMUKPZGTPFVSG-JTQLQIEISA-N 0 3 279.340 1.188 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000250067180 1158801421 /nfs/dbraw/zinc/80/14/21/1158801421.db2.gz NPCMFAJIIIHOTE-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000250067180 1158801432 /nfs/dbraw/zinc/80/14/32/1158801432.db2.gz NPCMFAJIIIHOTE-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(O)c(CN2CCCC[C@H]2CNC(C)=O)c1 ZINC000877676280 1166078291 /nfs/dbraw/zinc/07/82/91/1166078291.db2.gz ZTRRYHHHBXCHPH-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1c([O-])cccc1F ZINC001579452258 1172183878 /nfs/dbraw/zinc/18/38/78/1172183878.db2.gz FYTQYDBJNCKQBL-GHMZBOCLSA-N 0 3 295.358 1.576 20 10 CDCDHN CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795748620 782387582 /nfs/dbraw/zinc/38/75/82/782387582.db2.gz DAKNYLGHUHZPMR-ZANVPECISA-N 0 3 267.325 1.285 20 10 CDCDHN CO[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795748620 782387595 /nfs/dbraw/zinc/38/75/95/782387595.db2.gz DAKNYLGHUHZPMR-ZANVPECISA-N 0 3 267.325 1.285 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CC(F)F ZINC000829764241 782446614 /nfs/dbraw/zinc/44/66/14/782446614.db2.gz HNTVLPLCWZINOR-LBPRGKRZSA-N 0 3 285.338 1.660 20 10 CDCDHN C[C@H](N[C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752070 782499007 /nfs/dbraw/zinc/49/90/07/782499007.db2.gz RDTRPYAQZIMGHC-GWCFXTLKSA-N 0 3 275.352 1.208 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCNC2CC2)c1 ZINC000817952554 782614407 /nfs/dbraw/zinc/61/44/07/782614407.db2.gz FVVTYJHYPSVCKH-JTQLQIEISA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)NCC[NH2+]C2CC2)c1 ZINC000817952554 782614418 /nfs/dbraw/zinc/61/44/18/782614418.db2.gz FVVTYJHYPSVCKH-JTQLQIEISA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N)c1 ZINC000817959943 782662928 /nfs/dbraw/zinc/66/29/28/782662928.db2.gz IBEVZPDGMJYLLT-SECBINFHSA-N 0 3 266.341 1.567 20 10 CDCDHN CC[S@](=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310229418 782757149 /nfs/dbraw/zinc/75/71/49/782757149.db2.gz GSLJYKZUQKZJTN-GTNSWQLSSA-N 0 3 253.367 1.738 20 10 CDCDHN COc1cc(CN2C[C@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000862446115 782862883 /nfs/dbraw/zinc/86/28/83/782862883.db2.gz QNHIINNXKPWHFF-KBPBESRZSA-N 0 3 295.379 1.236 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC000788270368 783298808 /nfs/dbraw/zinc/29/88/08/783298808.db2.gz RHNFAEMHKXRDPA-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC000788270368 783298822 /nfs/dbraw/zinc/29/88/22/783298822.db2.gz RHNFAEMHKXRDPA-PWSUYJOCSA-N 0 3 251.326 1.746 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(F)ccc1[O-] ZINC000702652930 783075145 /nfs/dbraw/zinc/07/51/45/783075145.db2.gz NRBAWTWARJNHQE-IINYFYTJSA-N 0 3 268.332 1.249 20 10 CDCDHN CCC[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817963707 783195547 /nfs/dbraw/zinc/19/55/47/783195547.db2.gz XGTFLSFJAQQVLM-LLVKDONJSA-N 0 3 280.368 1.829 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877115835 1165979296 /nfs/dbraw/zinc/97/92/96/1165979296.db2.gz IBVMHGRSSUNPDD-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN CO[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC1 ZINC000389169749 780824119 /nfs/dbraw/zinc/82/41/19/780824119.db2.gz HUYGDZLWJXOFBT-SWLSCSKDSA-N 0 3 263.337 1.775 20 10 CDCDHN COC[C@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)O1 ZINC000877465163 781580322 /nfs/dbraw/zinc/58/03/22/781580322.db2.gz VNKFYHCCZPIJHV-CHWSQXEVSA-N 0 3 265.353 1.936 20 10 CDCDHN O[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000862446076 781884224 /nfs/dbraw/zinc/88/42/24/781884224.db2.gz OUYTYOGSOZBEDM-HOTGVXAUSA-N 0 3 276.380 1.214 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841752216 783252973 /nfs/dbraw/zinc/25/29/73/783252973.db2.gz NBITWEQFAKIDFJ-HZMBPMFUSA-N 0 3 284.787 1.763 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173733865 912753964 /nfs/dbraw/zinc/75/39/64/912753964.db2.gz KJMDNUQTUBODOL-QWHCGFSZSA-N 0 3 273.340 1.652 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173733866 912754977 /nfs/dbraw/zinc/75/49/77/912754977.db2.gz KJMDNUQTUBODOL-STQMWFEESA-N 0 3 273.340 1.652 20 10 CDCDHN CCCNC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000036959689 894348769 /nfs/dbraw/zinc/34/87/69/894348769.db2.gz HMTMSHSYJXZWAS-GHMZBOCLSA-N 0 3 280.368 1.966 20 10 CDCDHN c1cc2c(cc1CNCC1OCCCO1)CCCO2 ZINC000922282034 921465143 /nfs/dbraw/zinc/46/51/43/921465143.db2.gz OFULWMOFJCABAT-UHFFFAOYSA-N 0 3 263.337 1.864 20 10 CDCDHN Cc1cc(CN2CC[C@H](O)[C@](C)(CO)C2)ccc1N(C)C ZINC001139669553 936318832 /nfs/dbraw/zinc/31/88/32/936318832.db2.gz AJGMHTOXPBNOBX-IRXDYDNUSA-N 0 3 292.423 1.626 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@@H]1C ZINC001204277730 916578955 /nfs/dbraw/zinc/57/89/55/916578955.db2.gz JLGGFNZPODGMFQ-ZWNOBZJWSA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H]1C ZINC001204277730 916578970 /nfs/dbraw/zinc/57/89/70/916578970.db2.gz JLGGFNZPODGMFQ-ZWNOBZJWSA-N 0 3 279.336 1.871 20 10 CDCDHN N[C@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597959 936464687 /nfs/dbraw/zinc/46/46/87/936464687.db2.gz WULABSOMRJEKMY-GFCCVEGCSA-N 0 3 298.333 1.870 20 10 CDCDHN CC(C)[C@H](C(=O)NCCc1cc(O)c(O)cc1O)N(C)C ZINC001183365706 918462801 /nfs/dbraw/zinc/46/28/01/918462801.db2.gz LQSQFCNGSGDPCQ-CQSZACIVSA-N 0 3 296.367 1.048 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001140947732 936782466 /nfs/dbraw/zinc/78/24/66/936782466.db2.gz CTRDKLBOQSZWAD-OAHLLOKOSA-N 0 3 260.337 1.413 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001140947732 936782468 /nfs/dbraw/zinc/78/24/68/936782468.db2.gz CTRDKLBOQSZWAD-OAHLLOKOSA-N 0 3 260.337 1.413 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141026642 936794148 /nfs/dbraw/zinc/79/41/48/936794148.db2.gz YCNXNTVAECIIIO-JTQLQIEISA-N 0 3 295.335 1.404 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141026642 936794149 /nfs/dbraw/zinc/79/41/49/936794149.db2.gz YCNXNTVAECIIIO-JTQLQIEISA-N 0 3 295.335 1.404 20 10 CDCDHN CCN1CC[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695612 923192374 /nfs/dbraw/zinc/19/23/74/923192374.db2.gz KPMPLTUHUIIPPW-GXFFZTMASA-N 0 3 278.352 1.672 20 10 CDCDHN O=c1[nH]ccc2c1CCN(Cc1cc(O)ccc1O)C2 ZINC001141161945 936822694 /nfs/dbraw/zinc/82/26/94/936822694.db2.gz HUNUZYKJAZTTSW-UHFFFAOYSA-N 0 3 272.304 1.757 20 10 CDCDHN O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000775993777 925776559 /nfs/dbraw/zinc/77/65/59/925776559.db2.gz DFHVMMMFZUGGDL-UHFFFAOYSA-N 0 3 257.293 1.446 20 10 CDCDHN O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccccc1[O-])C2 ZINC000775993777 925776565 /nfs/dbraw/zinc/77/65/65/925776565.db2.gz DFHVMMMFZUGGDL-UHFFFAOYSA-N 0 3 257.293 1.446 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CC1(C)COC1 ZINC000862477854 929417820 /nfs/dbraw/zinc/41/78/20/929417820.db2.gz STDGNZIVXVCFBS-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CC1(C)COC1 ZINC000862477854 929417832 /nfs/dbraw/zinc/41/78/32/929417832.db2.gz STDGNZIVXVCFBS-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CON(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000862542274 929423783 /nfs/dbraw/zinc/42/37/83/929423783.db2.gz KQHQSUDBCWLZIM-GFCCVEGCSA-N 0 3 279.384 1.559 20 10 CDCDHN COc1cc(C)cc(CN2CC[C@H](NC(C)=O)C2)c1O ZINC000817365702 930521925 /nfs/dbraw/zinc/52/19/25/930521925.db2.gz NFGCYVNIMVCBSV-ZDUSSCGKSA-N 0 3 278.352 1.420 20 10 CDCDHN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412028 930528975 /nfs/dbraw/zinc/52/89/75/930528975.db2.gz BMKWQOQTDDGHHP-GHMZBOCLSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000817412028 930528981 /nfs/dbraw/zinc/52/89/81/930528981.db2.gz BMKWQOQTDDGHHP-GHMZBOCLSA-N 0 3 253.317 1.982 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)CO ZINC000824631285 931472679 /nfs/dbraw/zinc/47/26/79/931472679.db2.gz XPSDDOPRKDQQNN-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)CO ZINC000824631285 931472685 /nfs/dbraw/zinc/47/26/85/931472685.db2.gz XPSDDOPRKDQQNN-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](CO)(COC)C2)c([O-])c1 ZINC000825158092 931494235 /nfs/dbraw/zinc/49/42/35/931494235.db2.gz DJULGPKYUFTOFR-MRXNPFEDSA-N 0 3 295.379 1.622 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](CO)(COC)C2)c([O-])c1 ZINC000825158092 931494237 /nfs/dbraw/zinc/49/42/37/931494237.db2.gz DJULGPKYUFTOFR-MRXNPFEDSA-N 0 3 295.379 1.622 20 10 CDCDHN C[C@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504376 931865063 /nfs/dbraw/zinc/86/50/63/931865063.db2.gz RHLFCZIEIBPQAH-ZUZCIYMTSA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504376 931865066 /nfs/dbraw/zinc/86/50/66/931865066.db2.gz RHLFCZIEIBPQAH-ZUZCIYMTSA-N 0 3 281.352 1.786 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2F)N(C)C)cc1 ZINC001121170462 937859882 /nfs/dbraw/zinc/85/98/82/937859882.db2.gz HIYSSAGVYFAYCK-KFWWJZLASA-N 0 3 293.386 1.830 20 10 CDCDHN Cc1cc(C)c(CNc2cc(CN)ncn2)c(O)c1 ZINC001160808673 938829146 /nfs/dbraw/zinc/82/91/46/938829146.db2.gz XZAYXUMNPONZOD-UHFFFAOYSA-N 0 3 258.325 1.870 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001203552212 939692624 /nfs/dbraw/zinc/69/26/24/939692624.db2.gz FCXDSBIHRNFKLL-UKRRQHHQSA-N 0 3 263.337 1.487 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552212 939692627 /nfs/dbraw/zinc/69/26/27/939692627.db2.gz FCXDSBIHRNFKLL-UKRRQHHQSA-N 0 3 263.337 1.487 20 10 CDCDHN CC(=O)N1CC[C@@H](N(Cc2ccc(O)c(O)c2)C(C)C)C1 ZINC001203878719 939710731 /nfs/dbraw/zinc/71/07/31/939710731.db2.gz AWXBDTHCGAAGDH-CQSZACIVSA-N 0 3 292.379 1.929 20 10 CDCDHN CN(CCC1OCCO1)Cc1ccc(O)c(O)c1 ZINC001203880346 939710915 /nfs/dbraw/zinc/71/09/15/939710915.db2.gz OPMDKVSZJWVLSJ-UHFFFAOYSA-N 0 3 253.298 1.293 20 10 CDCDHN O=C1CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203884766 939711968 /nfs/dbraw/zinc/71/19/68/939711968.db2.gz ZCFZNPOHCPTENZ-VXGBXAGGSA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc(CN2CCN3CCCC[C@@H]3C2)cc(O)c1O ZINC001204343573 939757358 /nfs/dbraw/zinc/75/73/58/939757358.db2.gz UCGOOWYZEWMCNT-CYBMUJFWSA-N 0 3 292.379 1.777 20 10 CDCDHN COc1cc(CN(C)CCC(=O)N(C)C)cc(O)c1O ZINC001204346468 939759533 /nfs/dbraw/zinc/75/95/33/939759533.db2.gz QIRUVBJJZHMIHC-UHFFFAOYSA-N 0 3 282.340 1.017 20 10 CDCDHN [O-]c1cc(O)c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204675176 939784994 /nfs/dbraw/zinc/78/49/94/939784994.db2.gz JPSMAWMTXVTAHZ-UHFFFAOYSA-N 0 3 256.733 1.547 20 10 CDCDHN C[C@@H](N)C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001218581075 941240843 /nfs/dbraw/zinc/24/08/43/941240843.db2.gz DMFICUMIZNTMCX-RXWMKKSRSA-N 0 3 284.323 1.953 20 10 CDCDHN NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442516 942578795 /nfs/dbraw/zinc/57/87/95/942578795.db2.gz WTIHTNSBFHFQHG-CJNGLKHVSA-N 0 3 274.364 1.870 20 10 CDCDHN NC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442516 942578798 /nfs/dbraw/zinc/57/87/98/942578798.db2.gz WTIHTNSBFHFQHG-CJNGLKHVSA-N 0 3 274.364 1.870 20 10 CDCDHN CN(C)CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231445719 942891826 /nfs/dbraw/zinc/89/18/26/942891826.db2.gz AJJCZJKAVLSDEX-UHFFFAOYSA-N 0 3 266.341 1.474 20 10 CDCDHN CN(C)CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231445719 942891831 /nfs/dbraw/zinc/89/18/31/942891831.db2.gz AJJCZJKAVLSDEX-UHFFFAOYSA-N 0 3 266.341 1.474 20 10 CDCDHN Cc1ccc(CN2CC3(C2)SCC[C@@H]3C(N)=O)c(O)c1 ZINC001277567981 943019656 /nfs/dbraw/zinc/01/96/56/943019656.db2.gz JLQDHXKKBRBCMC-GFCCVEGCSA-N 0 3 292.404 1.493 20 10 CDCDHN Cc1cc([O-])c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235063095 944037640 /nfs/dbraw/zinc/03/76/40/944037640.db2.gz OBDGLLKTPBMPKM-HNNXBMFYSA-N 0 3 295.814 1.491 20 10 CDCDHN NC(=O)[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236841648 944590556 /nfs/dbraw/zinc/59/05/56/944590556.db2.gz NXVJDEVCQKLYQM-CYBMUJFWSA-N 0 3 270.332 1.853 20 10 CDCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236841648 944590559 /nfs/dbraw/zinc/59/05/59/944590559.db2.gz NXVJDEVCQKLYQM-CYBMUJFWSA-N 0 3 270.332 1.853 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+](C)CCC1OCCO1 ZINC001237488042 944813761 /nfs/dbraw/zinc/81/37/61/944813761.db2.gz PWQBOGBQOKBGEB-UHFFFAOYSA-N 0 3 251.326 1.895 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCC1OCCO1 ZINC001237488042 944813768 /nfs/dbraw/zinc/81/37/68/944813768.db2.gz PWQBOGBQOKBGEB-UHFFFAOYSA-N 0 3 251.326 1.895 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001237681029 944923994 /nfs/dbraw/zinc/92/39/94/944923994.db2.gz KJLXFBWHYTULFT-ZFWWWQNUSA-N 0 3 299.798 1.919 20 10 CDCDHN OC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935186 945011097 /nfs/dbraw/zinc/01/10/97/945011097.db2.gz RAOLDPFPELUUKD-JOYOIKCWSA-N 0 3 289.734 1.360 20 10 CDCDHN Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cn1 ZINC001261276324 946030194 /nfs/dbraw/zinc/03/01/94/946030194.db2.gz DSGAJOAWCHRJFS-ZFWWWQNUSA-N 0 3 298.390 1.982 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H](N2CCc3cccc(O)c3C2)CN1 ZINC001246869354 948493420 /nfs/dbraw/zinc/49/34/20/948493420.db2.gz RIEXWOBDVJQQHJ-JSGCOSHPSA-N 0 3 290.363 1.044 20 10 CDCDHN COC(=O)[C@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001252442498 951276692 /nfs/dbraw/zinc/27/66/92/951276692.db2.gz TVZXVMMYINMJAQ-CQSZACIVSA-N 0 3 275.304 1.169 20 10 CDCDHN C[NH2+][C@@H](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325743050 954053090 /nfs/dbraw/zinc/05/30/90/954053090.db2.gz ITSKDHCZFLZOAH-UWVGGRQHSA-N 0 3 267.329 1.949 20 10 CDCDHN Nc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC001338733069 961969311 /nfs/dbraw/zinc/96/93/11/961969311.db2.gz XPTSFFNOVAMQGY-CYBMUJFWSA-N 0 3 274.368 1.305 20 10 CDCDHN CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001344820652 964445701 /nfs/dbraw/zinc/44/57/01/964445701.db2.gz BHDSMHSUNNPGQF-JOYOIKCWSA-N 0 3 266.316 1.536 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1OC ZINC000169222339 342517539 /nfs/dbraw/zinc/51/75/39/342517539.db2.gz BLSVNOCUBCEFNF-YUTCNCBUSA-N 0 3 251.326 1.674 20 10 CDCDHN CCN(C)C(=O)[C@@H](NCc1cccc(OC)c1O)C(C)C ZINC000294991212 199288603 /nfs/dbraw/zinc/28/86/03/199288603.db2.gz HPBAHHNGDNOWJS-AWEZNQCLSA-N 0 3 294.395 1.993 20 10 CDCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(OC)c1[O-])C(C)C ZINC000294991212 199288604 /nfs/dbraw/zinc/28/86/04/199288604.db2.gz HPBAHHNGDNOWJS-AWEZNQCLSA-N 0 3 294.395 1.993 20 10 CDCDHN C[NH+]1CCC(C)(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000226355914 362454163 /nfs/dbraw/zinc/45/41/63/362454163.db2.gz QYJKEHDRQXXEGI-UHFFFAOYSA-N 0 3 278.352 1.560 20 10 CDCDHN CCOc1ccc(O)c(CN2CCCN(C(C)=O)CC2)c1 ZINC000179815848 357225861 /nfs/dbraw/zinc/22/58/61/357225861.db2.gz NBKOBQISMCGXEZ-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180819711 357290175 /nfs/dbraw/zinc/29/01/75/357290175.db2.gz AHECQWPLBMZLSS-UHFFFAOYSA-N 0 3 289.372 1.834 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](F)CN3)ccc21 ZINC000188747432 357933409 /nfs/dbraw/zinc/93/34/09/357933409.db2.gz AROPAJJCDGMFGV-UONOGXRCSA-N 0 3 291.370 1.385 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000364514585 358438065 /nfs/dbraw/zinc/43/80/65/358438065.db2.gz YDXKWVHEUBJEMT-CYBMUJFWSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000364514585 358438069 /nfs/dbraw/zinc/43/80/69/358438069.db2.gz YDXKWVHEUBJEMT-CYBMUJFWSA-N 0 3 258.325 1.739 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000230663359 360336045 /nfs/dbraw/zinc/33/60/45/360336045.db2.gz WGAKKSAYBYWBKG-MWLCHTKSSA-N 0 3 257.305 1.579 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN1CCCOCC1 ZINC000374324495 370689181 /nfs/dbraw/zinc/68/91/81/370689181.db2.gz MOGVEPFSBJLTQH-UHFFFAOYSA-N 0 3 276.380 1.746 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000134698189 361637311 /nfs/dbraw/zinc/63/73/11/361637311.db2.gz LPFVKXIGVONVGP-LBPRGKRZSA-N 0 3 253.342 1.897 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000268740096 364087331 /nfs/dbraw/zinc/08/73/31/364087331.db2.gz PKZPEIKIZOFQHG-ZDUSSCGKSA-N 0 3 281.375 1.848 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000171926517 365432119 /nfs/dbraw/zinc/43/21/19/365432119.db2.gz WVAIEUUOOVJRIC-CYBMUJFWSA-N 0 3 261.325 1.082 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000171926517 365432124 /nfs/dbraw/zinc/43/21/24/365432124.db2.gz WVAIEUUOOVJRIC-CYBMUJFWSA-N 0 3 261.325 1.082 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000281702444 367675955 /nfs/dbraw/zinc/67/59/55/367675955.db2.gz STTUCNDNAGZJOV-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296618225 371444419 /nfs/dbraw/zinc/44/44/19/371444419.db2.gz YZVASYJXAWVAGV-NEPJUHHUSA-N 0 3 251.326 1.367 20 10 CDCDHN C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226585475 371952207 /nfs/dbraw/zinc/95/22/07/371952207.db2.gz DFRUDMOBURLUTH-JTQLQIEISA-N 0 3 266.316 1.632 20 10 CDCDHN COc1ccc(N2CCCN(CC(OC)OC)CC2)cc1 ZINC000136744596 375779197 /nfs/dbraw/zinc/77/91/97/375779197.db2.gz KKAXOLOTIPAWJU-UHFFFAOYSA-N 0 3 294.395 1.826 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](CCO)CCCOC)c1 ZINC000188927707 262164695 /nfs/dbraw/zinc/16/46/95/262164695.db2.gz QCRDDQXFKMVJRI-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](CCO)CCCOC)c1 ZINC000188927707 262164696 /nfs/dbraw/zinc/16/46/96/262164696.db2.gz QCRDDQXFKMVJRI-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CC(C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262752 390210745 /nfs/dbraw/zinc/21/07/45/390210745.db2.gz CGMZOFDAWYADDB-LBPRGKRZSA-N 0 3 263.385 1.928 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179570744 391211698 /nfs/dbraw/zinc/21/16/98/391211698.db2.gz LTMQTICRYRTMTF-ZDUSSCGKSA-N 0 3 258.325 1.821 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179570744 391211701 /nfs/dbraw/zinc/21/17/01/391211701.db2.gz LTMQTICRYRTMTF-ZDUSSCGKSA-N 0 3 258.325 1.821 20 10 CDCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000183496274 391265402 /nfs/dbraw/zinc/26/54/02/391265402.db2.gz GBZVBGLZJFEGNF-ZIAGYGMSSA-N 0 3 277.412 1.679 20 10 CDCDHN COCC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000270196381 391266679 /nfs/dbraw/zinc/26/66/79/391266679.db2.gz BNDSOZQJOVSNAI-UHFFFAOYSA-N 0 3 295.335 1.094 20 10 CDCDHN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1[O-] ZINC000183625269 391267661 /nfs/dbraw/zinc/26/76/61/391267661.db2.gz WSIMFQYOJLKGPI-GFCCVEGCSA-N 0 3 265.353 1.832 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000164756465 391289579 /nfs/dbraw/zinc/28/95/79/391289579.db2.gz QVKRTKZHAAWKGX-DIFFPNOSSA-N 0 3 255.383 1.947 20 10 CDCDHN CN(C(=O)c1cccc2c1CCNC2)c1cnn(C)c1 ZINC000662745717 413420259 /nfs/dbraw/zinc/42/02/59/413420259.db2.gz NKJDFOUFFXWKPL-UHFFFAOYSA-N 0 3 270.336 1.342 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCCS(C)(=O)=O)c1 ZINC000071408215 176156763 /nfs/dbraw/zinc/15/67/63/176156763.db2.gz KWFIWMHDWJDAJK-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN COCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000159948807 261199298 /nfs/dbraw/zinc/19/92/98/261199298.db2.gz KBYHCAGLZFNREN-UHFFFAOYSA-N 0 3 255.314 1.488 20 10 CDCDHN CC[C@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000164797093 261359570 /nfs/dbraw/zinc/35/95/70/261359570.db2.gz SRYVUCGKJVKYFF-AWEZNQCLSA-N 0 3 284.425 1.838 20 10 CDCDHN C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1[O-] ZINC000183413822 261974517 /nfs/dbraw/zinc/97/45/17/261974517.db2.gz XFQYMXUYIQRJNJ-LLVKDONJSA-N 0 3 278.352 1.325 20 10 CDCDHN C[C@H]([NH2+]CC1(CO)COC1)c1cc(F)ccc1[O-] ZINC000186146577 262082096 /nfs/dbraw/zinc/08/20/96/262082096.db2.gz DIGUVKNTCRUCTH-VIFPVBQESA-N 0 3 255.289 1.191 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)c([O-])c1O ZINC000272550377 263006644 /nfs/dbraw/zinc/00/66/44/263006644.db2.gz AUPFIJMSFJWYMZ-JTQLQIEISA-N 0 3 266.341 1.476 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](CN)OC ZINC000290053503 263114296 /nfs/dbraw/zinc/11/42/96/263114296.db2.gz UEHGLHIJPNZTON-CYBMUJFWSA-N 0 3 266.341 1.105 20 10 CDCDHN Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000187839669 263270592 /nfs/dbraw/zinc/27/05/92/263270592.db2.gz USEVQYNFGDPVQX-GTNSWQLSSA-N 0 3 255.383 1.899 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1C ZINC000530225180 333529005 /nfs/dbraw/zinc/52/90/05/333529005.db2.gz MKKAQYPDPXGSGF-QWHCGFSZSA-N 0 3 264.369 1.648 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1[O-] ZINC000252762919 334391091 /nfs/dbraw/zinc/39/10/91/334391091.db2.gz ZIMBLQLNGZYLDE-GJZGRUSLSA-N 0 3 276.380 1.653 20 10 CDCDHN CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000230666935 1161045793 /nfs/dbraw/zinc/04/57/93/1161045793.db2.gz JDFPZTNZJRPTAK-SECBINFHSA-N 0 3 290.360 1.121 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)C(C)S(C)(=O)=O ZINC000265213037 521689370 /nfs/dbraw/zinc/68/93/70/521689370.db2.gz RRIVFEJTQBMMJS-NSHDSACASA-N 0 3 299.392 1.564 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCO1 ZINC000278555234 522365187 /nfs/dbraw/zinc/36/51/87/522365187.db2.gz BVRWNMUNRTZABO-OCCSQVGLSA-N 0 3 251.326 1.676 20 10 CDCDHN CN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299492093 523773787 /nfs/dbraw/zinc/77/37/87/523773787.db2.gz JRKPBPVKWSNQIP-UHFFFAOYSA-N 0 3 263.341 1.286 20 10 CDCDHN CO[C@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000290065788 524009885 /nfs/dbraw/zinc/00/98/85/524009885.db2.gz FOGLLQZQSMLDKL-KBPBESRZSA-N 0 3 250.342 1.256 20 10 CDCDHN COCCOCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000044693547 524010026 /nfs/dbraw/zinc/01/00/26/524010026.db2.gz HQWSRKJFIBYFJD-UHFFFAOYSA-N 0 3 255.314 1.153 20 10 CDCDHN CN(C)C/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264606820 524034181 /nfs/dbraw/zinc/03/41/81/524034181.db2.gz GRQFGESXJJUBPG-VOTSOKGWSA-N 0 3 275.396 1.829 20 10 CDCDHN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292969181 524342942 /nfs/dbraw/zinc/34/29/42/524342942.db2.gz KCIOQQXZFUUKGF-MEBBXXQBSA-N 0 3 279.336 1.762 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000280923886 525378036 /nfs/dbraw/zinc/37/80/36/525378036.db2.gz RHGLFDDILWXPAQ-XQQFMLRXSA-N 0 3 265.353 1.688 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290097437 526022158 /nfs/dbraw/zinc/02/21/58/526022158.db2.gz JZKKJGHAPHOUBB-LLVKDONJSA-N 0 3 299.392 1.315 20 10 CDCDHN OCC[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000278500580 527567818 /nfs/dbraw/zinc/56/78/18/527567818.db2.gz NUDPOOMFZAIGHX-OAHLLOKOSA-N 0 3 263.337 1.253 20 10 CDCDHN C[C@@H](CNC(=O)c1cc([O-])cs1)C[NH+]1CCCC1 ZINC000731870760 575067314 /nfs/dbraw/zinc/06/73/14/575067314.db2.gz OQSFBOKMASLXMV-JTQLQIEISA-N 0 3 268.382 1.915 20 10 CDCDHN O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([O-])cs1 ZINC000732271530 575085234 /nfs/dbraw/zinc/08/52/34/575085234.db2.gz IXSGDPXPMNOQAF-VIFPVBQESA-N 0 3 266.366 1.668 20 10 CDCDHN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([O-])cs1 ZINC000732271530 575085235 /nfs/dbraw/zinc/08/52/35/575085235.db2.gz IXSGDPXPMNOQAF-VIFPVBQESA-N 0 3 266.366 1.668 20 10 CDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC(C)C ZINC000768441832 576283617 /nfs/dbraw/zinc/28/36/17/576283617.db2.gz OGEBJBRGYOJRPV-OAHLLOKOSA-N 0 3 295.379 1.922 20 10 CDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC(C)C ZINC000768441832 576283619 /nfs/dbraw/zinc/28/36/19/576283619.db2.gz OGEBJBRGYOJRPV-OAHLLOKOSA-N 0 3 295.379 1.922 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1[O-] ZINC000768841710 576312376 /nfs/dbraw/zinc/31/23/76/576312376.db2.gz NGTFPJNTGMCOAA-GFCCVEGCSA-N 0 3 291.347 1.935 20 10 CDCDHN CCOc1ccc(CN(C)[C@@H]2CCCCNC2=O)c(O)c1 ZINC000769202549 576337249 /nfs/dbraw/zinc/33/72/49/576337249.db2.gz WJSHDBUPMCGHTJ-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402907 576352223 /nfs/dbraw/zinc/35/22/23/576352223.db2.gz DSLZVHUNECJJEC-LLVKDONJSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402907 576352225 /nfs/dbraw/zinc/35/22/25/576352225.db2.gz DSLZVHUNECJJEC-LLVKDONJSA-N 0 3 278.352 1.359 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C(C)(C)CO)CC2)cc1C ZINC000769445989 576354319 /nfs/dbraw/zinc/35/43/19/576354319.db2.gz KFJQCCSJONJFGI-UHFFFAOYSA-N 0 3 292.423 1.898 20 10 CDCDHN COC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742370719 576598744 /nfs/dbraw/zinc/59/87/44/576598744.db2.gz KNYBFVYHXRQUCD-AWEZNQCLSA-N 0 3 253.342 1.496 20 10 CDCDHN COCCOC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000742376783 576599013 /nfs/dbraw/zinc/59/90/13/576599013.db2.gz HFUWXPXCDSJNHS-LLVKDONJSA-N 0 3 269.341 1.542 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2[O-] ZINC000756759866 577003176 /nfs/dbraw/zinc/00/31/76/577003176.db2.gz NCGIJUCAVGRDFD-GXSJLCMTSA-N 0 3 281.327 1.678 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000756776063 577003834 /nfs/dbraw/zinc/00/38/34/577003834.db2.gz VHVJWAMSSJCSND-SUHUHFCYSA-N 0 3 292.379 1.966 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000759173063 577156904 /nfs/dbraw/zinc/15/69/04/577156904.db2.gz MJKSDYNRISMDPS-GXTWGEPZSA-N 0 3 281.352 1.684 20 10 CDCDHN COc1ccc(O)c(CN2CCC3(COC(=O)N3)CC2)c1 ZINC000753586835 577178479 /nfs/dbraw/zinc/17/84/79/577178479.db2.gz JYAPHBWVLRDXRC-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000753586835 577178480 /nfs/dbraw/zinc/17/84/80/577178480.db2.gz JYAPHBWVLRDXRC-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN COC1(CO)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877481692 618622435 /nfs/dbraw/zinc/62/24/35/618622435.db2.gz PTSYCDIFMFTMKM-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1ccc(CN[C@@H](C)C(=O)NC(C)C)c(O)c1OC ZINC000894935528 619154427 /nfs/dbraw/zinc/15/44/27/619154427.db2.gz ZWCPFYJRGYGFGU-JTQLQIEISA-N 0 3 296.367 1.412 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000896377301 620078958 /nfs/dbraw/zinc/07/89/58/620078958.db2.gz HNISUMBLLCNFQU-ZDUSSCGKSA-N 0 3 263.337 1.895 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000896377301 620078960 /nfs/dbraw/zinc/07/89/60/620078960.db2.gz HNISUMBLLCNFQU-ZDUSSCGKSA-N 0 3 263.337 1.895 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000876720611 1165901627 /nfs/dbraw/zinc/90/16/27/1165901627.db2.gz HWDBFIGOKDMCBQ-CYBMUJFWSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000876720611 1165901632 /nfs/dbraw/zinc/90/16/32/1165901632.db2.gz HWDBFIGOKDMCBQ-CYBMUJFWSA-N 0 3 265.353 1.674 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311780999 1186690898 /nfs/dbraw/zinc/69/08/98/1186690898.db2.gz YLQOZRRGEAUFIM-LBPRGKRZSA-N 0 3 262.353 1.741 20 10 CDCDHN Cc1ccc(CN[C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000877123982 1165978489 /nfs/dbraw/zinc/97/84/89/1165978489.db2.gz QNBWKPALMJZEME-CYBMUJFWSA-N 0 3 261.325 1.257 20 10 CDCDHN Cc1ccc(CN[C@@H](CO)c2cnn(C)c2)c(O)c1 ZINC000877123983 1165979077 /nfs/dbraw/zinc/97/90/77/1165979077.db2.gz QNBWKPALMJZEME-ZDUSSCGKSA-N 0 3 261.325 1.257 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000877587747 1166063867 /nfs/dbraw/zinc/06/38/67/1166063867.db2.gz HMZBKSPOSKAZRM-LBPRGKRZSA-N 0 3 262.353 1.611 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000877587747 1166063872 /nfs/dbraw/zinc/06/38/72/1166063872.db2.gz HMZBKSPOSKAZRM-LBPRGKRZSA-N 0 3 262.353 1.611 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877783181 1166099522 /nfs/dbraw/zinc/09/95/22/1166099522.db2.gz IFPYPSIFJARYNH-UHFFFAOYSA-N 0 3 290.363 1.503 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879647575 1166390915 /nfs/dbraw/zinc/39/09/15/1166390915.db2.gz FCRLGEQUFJBEJR-FRRDWIJNSA-N 0 3 292.379 1.679 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000724897081 897500271 /nfs/dbraw/zinc/50/02/71/897500271.db2.gz OMKKQLKZBBWSRG-MPKXVKKWSA-N 0 3 251.326 1.847 20 10 CDCDHN COC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097890 900983027 /nfs/dbraw/zinc/98/30/27/900983027.db2.gz UMMYZSOJDDFNMC-ZDUSSCGKSA-N 0 3 265.357 1.711 20 10 CDCDHN CN1CC2(C1)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001270575718 904752543 /nfs/dbraw/zinc/75/25/43/904752543.db2.gz MDKITJUJZSIVCE-UHFFFAOYSA-N 0 3 290.363 1.195 20 10 CDCDHN CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1=O ZINC001172037387 911163784 /nfs/dbraw/zinc/16/37/84/911163784.db2.gz XBILRJFSMVFAFQ-LLVKDONJSA-N 0 3 264.325 1.198 20 10 CDCDHN O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])CCN12 ZINC001172171471 911424298 /nfs/dbraw/zinc/42/42/98/911424298.db2.gz PECGBWQLCOXUQS-NEPJUHHUSA-N 0 3 276.336 1.341 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C)C2)c1[O-] ZINC000228673487 911947757 /nfs/dbraw/zinc/94/77/57/911947757.db2.gz OYRNWIJFYOQJKE-NSHDSACASA-N 0 3 270.760 1.848 20 10 CDCDHN COC(=O)CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180923208 915747098 /nfs/dbraw/zinc/74/70/98/915747098.db2.gz ULCVTZMBGLFZNX-UHFFFAOYSA-N 0 3 255.289 1.963 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001181277044 916957807 /nfs/dbraw/zinc/95/78/07/916957807.db2.gz VCCWBRSLVHHAMF-NEPJUHHUSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001181277044 916957812 /nfs/dbraw/zinc/95/78/12/916957812.db2.gz VCCWBRSLVHHAMF-NEPJUHHUSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(CN2CCC[C@@H](O)[C@H](C)C2)cc(O)c1O ZINC001204341847 917879395 /nfs/dbraw/zinc/87/93/95/917879395.db2.gz HCHRJGNWIIKMMP-ZYHUDNBSSA-N 0 3 281.352 1.699 20 10 CDCDHN C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832810456 936603908 /nfs/dbraw/zinc/60/39/08/936603908.db2.gz CZPSFTKOFYJVIM-CYBMUJFWSA-N 0 3 266.366 1.622 20 10 CDCDHN C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832810456 936603909 /nfs/dbraw/zinc/60/39/09/936603909.db2.gz CZPSFTKOFYJVIM-CYBMUJFWSA-N 0 3 266.366 1.622 20 10 CDCDHN CN1CC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832810456 936603910 /nfs/dbraw/zinc/60/39/10/936603910.db2.gz CZPSFTKOFYJVIM-CYBMUJFWSA-N 0 3 266.366 1.622 20 10 CDCDHN CCN1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000391528111 936659017 /nfs/dbraw/zinc/65/90/17/936659017.db2.gz GCTFGCIRJAIHEW-ZDUSSCGKSA-N 0 3 260.337 1.332 20 10 CDCDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NCC1CC1 ZINC000393048836 936668830 /nfs/dbraw/zinc/66/88/30/936668830.db2.gz DWWDSZMNOALLHV-LBPRGKRZSA-N 0 3 260.337 1.495 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834783261 936705546 /nfs/dbraw/zinc/70/55/46/936705546.db2.gz DABCKOVRADSIDL-UONOGXRCSA-N 0 3 295.379 1.383 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000834851296 936709123 /nfs/dbraw/zinc/70/91/23/936709123.db2.gz WPRVBAMOLFVRGZ-KBPBESRZSA-N 0 3 278.396 1.890 20 10 CDCDHN CCN(CC)c1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001140851165 936764284 /nfs/dbraw/zinc/76/42/84/936764284.db2.gz FBIXWEIFAPIHQJ-AWEZNQCLSA-N 0 3 291.395 1.688 20 10 CDCDHN COc1cc([O-])c(C[NH+]2CCC(CO)CC2)c(OC)c1 ZINC001141026692 936794188 /nfs/dbraw/zinc/79/41/88/936794188.db2.gz ZCVRMPJSQDCINV-UHFFFAOYSA-N 0 3 281.352 1.614 20 10 CDCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)C1CC1 ZINC001141159210 936821964 /nfs/dbraw/zinc/82/19/64/936821964.db2.gz CFAXOMUMSPATED-UHFFFAOYSA-N 0 3 290.363 1.588 20 10 CDCDHN COc1c([O-])c(CNC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841033175 936972511 /nfs/dbraw/zinc/97/25/11/936972511.db2.gz OGJRSQGWIOPNNB-LLVKDONJSA-N 0 3 295.339 1.541 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1[O-] ZINC000842474594 937058215 /nfs/dbraw/zinc/05/82/15/937058215.db2.gz VRNQDCXRTLIQSH-ZJUUUORDSA-N 0 3 280.343 1.916 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCCO[C@@H](C[NH3+])C2)c1[O-] ZINC000842479432 937059057 /nfs/dbraw/zinc/05/90/57/937059057.db2.gz SCCMKWTYZNCVOX-ZDUSSCGKSA-N 0 3 296.342 1.284 20 10 CDCDHN COc1cc(O)c(CN[C@H]2CCCN(C)C2=O)cc1OC ZINC000776231567 926467496 /nfs/dbraw/zinc/46/74/96/926467496.db2.gz JSCFFWQBXLRBRY-NSHDSACASA-N 0 3 294.351 1.120 20 10 CDCDHN COc1cc(CNCC(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850009770 927356111 /nfs/dbraw/zinc/35/61/11/927356111.db2.gz PTVRMZMCWZIDEE-UHFFFAOYSA-N 0 3 294.395 1.876 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)c(O)c1 ZINC000843499426 937156679 /nfs/dbraw/zinc/15/66/79/937156679.db2.gz GZMYRHOHYRYVHJ-GFCCVEGCSA-N 0 3 266.341 1.390 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000850361652 927421915 /nfs/dbraw/zinc/42/19/15/927421915.db2.gz UPCCCSJQEWYJTK-JTQLQIEISA-N 0 3 251.326 1.651 20 10 CDCDHN C[NH2+]C[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000854232530 928172457 /nfs/dbraw/zinc/17/24/57/928172457.db2.gz SDOLZRFNHIJQHK-VHSXEESVSA-N 0 3 266.341 1.437 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@@H](CO)C2CC2)cc1F ZINC000858137801 928810025 /nfs/dbraw/zinc/81/00/25/928810025.db2.gz GVLOLFUEBOZDKA-ZDUSSCGKSA-N 0 3 270.323 1.891 20 10 CDCDHN C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000858548848 928882432 /nfs/dbraw/zinc/88/24/32/928882432.db2.gz QAMYAYAMWRSXNG-CMPLNLGQSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000788971984 929626326 /nfs/dbraw/zinc/62/63/26/929626326.db2.gz STJDNAGWNGKDCW-MNOVXSKESA-N 0 3 251.326 1.651 20 10 CDCDHN CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000129940604 930067151 /nfs/dbraw/zinc/06/71/51/930067151.db2.gz KSSLHFHCUSGLEP-UHFFFAOYSA-N 0 3 291.439 1.641 20 10 CDCDHN COc1cc(CN2CC[C@@H](NC(C)=O)C2)c(O)cc1C ZINC000817367090 930521729 /nfs/dbraw/zinc/52/17/29/930521729.db2.gz BDJPDUNWMSVRAD-CYBMUJFWSA-N 0 3 278.352 1.420 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817412329 930528686 /nfs/dbraw/zinc/52/86/86/930528686.db2.gz IVTSJGNFRZOJHG-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817412329 930528692 /nfs/dbraw/zinc/52/86/92/930528692.db2.gz IVTSJGNFRZOJHG-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN C[C@H](NCC(C)(C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959702 930646628 /nfs/dbraw/zinc/64/66/28/930646628.db2.gz GYPVMTWHMMXZKH-QMMMGPOBSA-N 0 3 253.302 1.688 20 10 CDCDHN CC(C)(C)OC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001253479771 930803697 /nfs/dbraw/zinc/80/36/97/930803697.db2.gz RXICUVNCQSVPEH-LLVKDONJSA-N 0 3 269.341 1.363 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)CC(=O)NC)c([O-])c1 ZINC000825068843 931490217 /nfs/dbraw/zinc/49/02/17/931490217.db2.gz YNZIGANSMAWXIQ-JTQLQIEISA-N 0 3 266.341 1.405 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000825182842 931492811 /nfs/dbraw/zinc/49/28/11/931492811.db2.gz BTJYOSHNCIAGMO-ZYHUDNBSSA-N 0 3 251.326 1.651 20 10 CDCDHN O=C1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1C1CC1 ZINC000846070963 931967135 /nfs/dbraw/zinc/96/71/35/931967135.db2.gz BDQVGTCMWBUAPP-SNVBAGLBSA-N 0 3 278.327 1.632 20 10 CDCDHN CCS(=O)(=O)CCN[C@H](C)c1cccc(OC)c1O ZINC000846148319 931980723 /nfs/dbraw/zinc/98/07/23/931980723.db2.gz ZDXLSMNATPUPKP-SNVBAGLBSA-N 0 3 287.381 1.486 20 10 CDCDHN CCN(C)C(=O)CN[C@H](C)c1cccc(OC)c1O ZINC000846165234 931983649 /nfs/dbraw/zinc/98/36/49/931983649.db2.gz UKOJWUCVSROBOS-SNVBAGLBSA-N 0 3 266.341 1.530 20 10 CDCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NC(C)C)c1O ZINC000846172958 931985431 /nfs/dbraw/zinc/98/54/31/931985431.db2.gz OEELWYGQZODDGT-MNOVXSKESA-N 0 3 280.368 1.965 20 10 CDCDHN CC[C@@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697368 932114783 /nfs/dbraw/zinc/11/47/83/932114783.db2.gz OTRNCUAPVRENHP-CQSZACIVSA-N 0 3 279.384 1.327 20 10 CDCDHN CCN(Cc1ccccc1O)c1ncc2c(n1)CCNC2 ZINC001154890397 937600214 /nfs/dbraw/zinc/60/02/14/937600214.db2.gz YNYOTEGYZOTUQP-UHFFFAOYSA-N 0 3 284.363 1.854 20 10 CDCDHN CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000234937311 932631653 /nfs/dbraw/zinc/63/16/53/932631653.db2.gz SRPKIEACFKHTMZ-SNVBAGLBSA-N 0 3 251.282 1.342 20 10 CDCDHN O=C1N[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2CO1 ZINC000281237390 935717407 /nfs/dbraw/zinc/71/74/07/935717407.db2.gz LNEORFDWTODBAC-NEPJUHHUSA-N 0 3 262.309 1.323 20 10 CDCDHN O=C1N[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2CO1 ZINC000281237390 935717417 /nfs/dbraw/zinc/71/74/17/935717417.db2.gz LNEORFDWTODBAC-NEPJUHHUSA-N 0 3 262.309 1.323 20 10 CDCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278322 939750933 /nfs/dbraw/zinc/75/09/33/939750933.db2.gz DLKXTXAHWRGRBU-PWSUYJOCSA-N 0 3 279.336 1.729 20 10 CDCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278322 939750935 /nfs/dbraw/zinc/75/09/35/939750935.db2.gz DLKXTXAHWRGRBU-PWSUYJOCSA-N 0 3 279.336 1.729 20 10 CDCDHN COc1cc(CN2CCCC[C@](C)(O)C2)cc(O)c1O ZINC001204344195 939758191 /nfs/dbraw/zinc/75/81/91/939758191.db2.gz VYFLAPPWOCBASB-HNNXBMFYSA-N 0 3 281.352 1.843 20 10 CDCDHN [NH3+]C[C@]1(O)CCCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001205725852 939928067 /nfs/dbraw/zinc/92/80/67/939928067.db2.gz MFRMUOULDLLYDU-CQSZACIVSA-N 0 3 286.322 1.346 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1F ZINC001206182629 939993031 /nfs/dbraw/zinc/99/30/31/939993031.db2.gz CKQGAECQPUXIJK-JOYOIKCWSA-N 0 3 274.286 1.932 20 10 CDCDHN CN1C[C@@H]2CN(Cc3cccc(F)c3O)C[C@H](C1)O2 ZINC001276537935 940210201 /nfs/dbraw/zinc/21/02/01/940210201.db2.gz QWDGETYLORSJSM-TXEJJXNPSA-N 0 3 266.316 1.046 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400171202 940844023 /nfs/dbraw/zinc/84/40/23/940844023.db2.gz KPAYRHARRNQMMV-YPMHNXCESA-N 0 3 298.408 1.467 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCC2=O)c1[O-] ZINC000405416291 940986780 /nfs/dbraw/zinc/98/67/80/940986780.db2.gz BNGXDVYCOXLKOJ-UHFFFAOYSA-N 0 3 298.770 1.766 20 10 CDCDHN CN1CC2(C1)CCCN(c1ccc3c(c1)OCCO3)C2 ZINC001277014558 941815085 /nfs/dbraw/zinc/81/50/85/941815085.db2.gz ROEYXMZTBYYSID-UHFFFAOYSA-N 0 3 274.364 1.990 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001231586156 942937059 /nfs/dbraw/zinc/93/70/59/942937059.db2.gz CGOZMEVPLZVLCD-MLGOLLRUSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001231586156 942937061 /nfs/dbraw/zinc/93/70/61/942937061.db2.gz CGOZMEVPLZVLCD-MLGOLLRUSA-N 0 3 273.332 1.330 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](O)C1 ZINC001231848537 943027870 /nfs/dbraw/zinc/02/78/70/943027870.db2.gz IDOJLDRXOAJXKE-AWEZNQCLSA-N 0 3 264.369 1.718 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@](C)(CO)C1 ZINC001231848125 943028926 /nfs/dbraw/zinc/02/89/26/943028926.db2.gz GRHFYRPMDZHGCK-MRXNPFEDSA-N 0 3 278.396 1.966 20 10 CDCDHN CCCCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233013974 943462932 /nfs/dbraw/zinc/46/29/32/943462932.db2.gz VUSZZUVLCLYUHE-UHFFFAOYSA-N 0 3 280.368 1.721 20 10 CDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303544 943822307 /nfs/dbraw/zinc/82/23/07/943822307.db2.gz ACMXVNCVGDJXQZ-CJNGLKHVSA-N 0 3 291.395 1.418 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076307 944044659 /nfs/dbraw/zinc/04/46/59/944044659.db2.gz WCTOSSULKZMUQW-VXGBXAGGSA-N 0 3 252.745 1.982 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001236807194 944572556 /nfs/dbraw/zinc/57/25/56/944572556.db2.gz DPOPIUTWJWMZHF-LLVKDONJSA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001236807194 944572559 /nfs/dbraw/zinc/57/25/59/944572559.db2.gz DPOPIUTWJWMZHF-LLVKDONJSA-N 0 3 251.326 1.666 20 10 CDCDHN CN1CCN(c2ccc(CN3CCC3)c(F)c2)CC1 ZINC001236932519 944618098 /nfs/dbraw/zinc/61/80/98/944618098.db2.gz QSEMTYHMGTWGAF-UHFFFAOYSA-N 0 3 263.360 1.783 20 10 CDCDHN CCOc1ccc(CN(CC)C2CN(C)C2)c(O)c1 ZINC001237046519 944647133 /nfs/dbraw/zinc/64/71/33/944647133.db2.gz OKOFIKHXTKPALH-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001237681027 944922302 /nfs/dbraw/zinc/92/23/02/944922302.db2.gz KJLXFBWHYTULFT-UKRRQHHQSA-N 0 3 299.798 1.919 20 10 CDCDHN COC(=O)CC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249213872 949458127 /nfs/dbraw/zinc/45/81/27/949458127.db2.gz AMPVBCBCYQZFGK-UHFFFAOYSA-N 0 3 295.335 1.103 20 10 CDCDHN COC(=O)CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249213872 949458145 /nfs/dbraw/zinc/45/81/45/949458145.db2.gz AMPVBCBCYQZFGK-UHFFFAOYSA-N 0 3 295.335 1.103 20 10 CDCDHN CCOC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252029754 951070568 /nfs/dbraw/zinc/07/05/68/951070568.db2.gz VARWLTAWMLPSHD-GFCCVEGCSA-N 0 3 251.326 1.148 20 10 CDCDHN CCOC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252029754 951070582 /nfs/dbraw/zinc/07/05/82/951070582.db2.gz VARWLTAWMLPSHD-GFCCVEGCSA-N 0 3 251.326 1.148 20 10 CDCDHN CC(C)OC[C@@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252679748 951566704 /nfs/dbraw/zinc/56/67/04/951566704.db2.gz BGXUFWKEDQJYIA-AWEZNQCLSA-N 0 3 295.379 1.632 20 10 CDCDHN CN1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989366 956142777 /nfs/dbraw/zinc/14/27/77/956142777.db2.gz OKVXOGLRRHXQCU-DYLGSBMWSA-N 0 3 290.363 1.567 20 10 CDCDHN Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000848563896 969175217 /nfs/dbraw/zinc/17/52/17/969175217.db2.gz YQSYFAFCKARMIU-VXGBXAGGSA-N 0 3 284.363 1.655 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCC(O)CC2)c1 ZINC000294984133 199284613 /nfs/dbraw/zinc/28/46/13/199284613.db2.gz YKRBMSVDICFXOB-UHFFFAOYSA-N 0 3 264.369 1.247 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@H]2CO)cc1OC ZINC000179843241 357226850 /nfs/dbraw/zinc/22/68/50/357226850.db2.gz HOQBLGXYFYIRCA-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000179843241 357226851 /nfs/dbraw/zinc/22/68/51/357226851.db2.gz HOQBLGXYFYIRCA-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000179843241 357226852 /nfs/dbraw/zinc/22/68/52/357226852.db2.gz HOQBLGXYFYIRCA-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN C[C@@]1(O)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000180198093 357251210 /nfs/dbraw/zinc/25/12/10/357251210.db2.gz JIQGHZCUNRXCTJ-CYBMUJFWSA-N 0 3 251.282 1.078 20 10 CDCDHN C[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000180198093 357251212 /nfs/dbraw/zinc/25/12/12/357251212.db2.gz JIQGHZCUNRXCTJ-CYBMUJFWSA-N 0 3 251.282 1.078 20 10 CDCDHN C[C@@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000180198093 357251214 /nfs/dbraw/zinc/25/12/14/357251214.db2.gz JIQGHZCUNRXCTJ-CYBMUJFWSA-N 0 3 251.282 1.078 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2cnnn2C)c1 ZINC000287228757 359305050 /nfs/dbraw/zinc/30/50/50/359305050.db2.gz GLDCGBHUVUDCDB-VIFPVBQESA-N 0 3 262.313 1.380 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297823358 200286543 /nfs/dbraw/zinc/28/65/43/200286543.db2.gz RLNAPYRXOLTZEF-SWLSCSKDSA-N 0 3 265.353 1.757 20 10 CDCDHN COc1cccc(CN(C)CCn2cccn2)c1O ZINC000125301485 360445254 /nfs/dbraw/zinc/44/52/54/360445254.db2.gz PQGJHIIILIOHJI-UHFFFAOYSA-N 0 3 261.325 1.729 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000180624385 365017375 /nfs/dbraw/zinc/01/73/75/365017375.db2.gz YZXHCYCTRSSINS-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)c1 ZINC000180624385 365017379 /nfs/dbraw/zinc/01/73/79/365017379.db2.gz YZXHCYCTRSSINS-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180681633 365012965 /nfs/dbraw/zinc/01/29/65/365012965.db2.gz AEXUKRCSIPDYOM-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180681633 365012970 /nfs/dbraw/zinc/01/29/70/365012970.db2.gz AEXUKRCSIPDYOM-SNVBAGLBSA-N 0 3 266.341 1.215 20 10 CDCDHN CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1[O-] ZINC000183348481 365426896 /nfs/dbraw/zinc/42/68/96/365426896.db2.gz HIINIEIZAKCDQR-LBPRGKRZSA-N 0 3 286.397 1.372 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000273467813 365499855 /nfs/dbraw/zinc/49/98/55/365499855.db2.gz JEQJOVQUUZZACC-BMIGLBTASA-N 0 3 283.343 1.969 20 10 CDCDHN COC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000281201345 367604638 /nfs/dbraw/zinc/60/46/38/367604638.db2.gz SABPLGNYZOWUDR-NEPJUHHUSA-N 0 3 253.342 1.667 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2COCCN2)cc1C ZINC000530182649 368147257 /nfs/dbraw/zinc/14/72/57/368147257.db2.gz XOVNHOHRDQOPCW-ZDUSSCGKSA-N 0 3 250.342 1.087 20 10 CDCDHN Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2)cn1 ZINC000371496119 370294409 /nfs/dbraw/zinc/29/44/09/370294409.db2.gz HMHZWCSSWFERBH-CYBMUJFWSA-N 0 3 290.342 1.633 20 10 CDCDHN CCCN(CC(=O)NC)Cc1cccc(C)c1O ZINC000124563811 374812790 /nfs/dbraw/zinc/81/27/90/374812790.db2.gz JVVJCKBALNBILU-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CC[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296064970 378715554 /nfs/dbraw/zinc/71/55/54/378715554.db2.gz WEYFTFIWBFTENH-RRFJBIMHSA-N 0 3 264.369 1.553 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168733759 390936981 /nfs/dbraw/zinc/93/69/81/390936981.db2.gz XJNFRORYRIYVIW-NSHDSACASA-N 0 3 262.353 1.877 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373274940 391114024 /nfs/dbraw/zinc/11/40/24/391114024.db2.gz ONHPRCKYXDLUDC-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373274940 391114028 /nfs/dbraw/zinc/11/40/28/391114028.db2.gz ONHPRCKYXDLUDC-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCO)C[C@@H]1CCCO1 ZINC000177715875 391175671 /nfs/dbraw/zinc/17/56/71/391175671.db2.gz UIMSTQXIVLATDE-ZDUSSCGKSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCO)C[C@@H]1CCCO1 ZINC000177715875 391175676 /nfs/dbraw/zinc/17/56/76/391175676.db2.gz UIMSTQXIVLATDE-ZDUSSCGKSA-N 0 3 251.326 1.366 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000124523237 391218303 /nfs/dbraw/zinc/21/83/03/391218303.db2.gz TZSLBEARRHHZHH-UHFFFAOYSA-N 0 3 262.353 1.659 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000183628439 391267887 /nfs/dbraw/zinc/26/78/87/391267887.db2.gz OFLQCWSQNIABOP-NEPJUHHUSA-N 0 3 298.408 1.324 20 10 CDCDHN COc1cc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000195008123 391374198 /nfs/dbraw/zinc/37/41/98/391374198.db2.gz FLIXLCBREGRFPI-OTYXRUKQSA-N 0 3 294.351 1.024 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(N)=O ZINC000282517909 391469281 /nfs/dbraw/zinc/46/92/81/391469281.db2.gz SRHLJFOFCXQMQG-NSHDSACASA-N 0 3 293.367 1.578 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(N)=O ZINC000282517909 391469283 /nfs/dbraw/zinc/46/92/83/391469283.db2.gz SRHLJFOFCXQMQG-NSHDSACASA-N 0 3 293.367 1.578 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000078638619 260168280 /nfs/dbraw/zinc/16/82/80/260168280.db2.gz MNKSUBBOFJJVEM-HUUCEWRRSA-N 0 3 276.380 1.653 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224915971 260749973 /nfs/dbraw/zinc/74/99/73/260749973.db2.gz WUSKIHCSIHFOHH-UHFFFAOYSA-N 0 3 266.341 1.263 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000183468012 261975899 /nfs/dbraw/zinc/97/58/99/261975899.db2.gz KZTPYBARADEGHE-UHFFFAOYSA-N 0 3 264.325 1.098 20 10 CDCDHN CNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1O ZINC000124536115 262553925 /nfs/dbraw/zinc/55/39/25/262553925.db2.gz JOZOWBQAYVYYMQ-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN COc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368971711 267215613 /nfs/dbraw/zinc/21/56/13/267215613.db2.gz CUWPPFYGUKTQIS-JKOKRWQUSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530182322 271135893 /nfs/dbraw/zinc/13/58/93/271135893.db2.gz TYOBMVIXYVZPHY-LLVKDONJSA-N 0 3 286.759 1.132 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CCSCC2)c1[O-] ZINC000226246658 333254987 /nfs/dbraw/zinc/25/49/87/333254987.db2.gz AUAWJRCBSIURBZ-UHFFFAOYSA-N 0 3 282.409 1.539 20 10 CDCDHN CC[N@@H+]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000319988440 1160136521 /nfs/dbraw/zinc/13/65/21/1160136521.db2.gz GNGTVRCZDHBKHU-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN CC[N@H+]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000319988440 1160136523 /nfs/dbraw/zinc/13/65/23/1160136523.db2.gz GNGTVRCZDHBKHU-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1F ZINC000265804613 520911379 /nfs/dbraw/zinc/91/13/79/520911379.db2.gz UKSJICNJPVKWDL-CYBMUJFWSA-N 0 3 293.386 1.992 20 10 CDCDHN CC1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000040770865 521010261 /nfs/dbraw/zinc/01/02/61/521010261.db2.gz VCRVMZZWCDDBOP-UHFFFAOYSA-N 0 3 275.396 1.659 20 10 CDCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@H](C)CO ZINC000292808555 521293723 /nfs/dbraw/zinc/29/37/23/521293723.db2.gz OKTIJVKYCOLWOJ-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@H](C)CO ZINC000292808555 521293725 /nfs/dbraw/zinc/29/37/25/521293725.db2.gz OKTIJVKYCOLWOJ-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN COC[C@H](CO)N[C@@H](C)c1cc(OC)ccc1O ZINC000234823142 522687565 /nfs/dbraw/zinc/68/75/65/522687565.db2.gz SBQGNBPUBUKLFP-UWVGGRQHSA-N 0 3 255.314 1.059 20 10 CDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000234823142 522687576 /nfs/dbraw/zinc/68/75/76/522687576.db2.gz SBQGNBPUBUKLFP-UWVGGRQHSA-N 0 3 255.314 1.059 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H]1CCCO1 ZINC000278699455 522749008 /nfs/dbraw/zinc/74/90/08/522749008.db2.gz QQRUZCDWOGJOGQ-DZGCQCFKSA-N 0 3 265.353 1.984 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000290268717 524009695 /nfs/dbraw/zinc/00/96/95/524009695.db2.gz VXZNWLJLSFSXRG-QWRKXWFKSA-N 0 3 255.289 1.596 20 10 CDCDHN CNC(=O)CN1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000071407494 524072234 /nfs/dbraw/zinc/07/22/34/524072234.db2.gz DUKQDGTUJUHGRW-UHFFFAOYSA-N 0 3 291.395 1.001 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617176 524359570 /nfs/dbraw/zinc/35/95/70/524359570.db2.gz WNLOJQUVGCCFKQ-VXGBXAGGSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280987082 524431900 /nfs/dbraw/zinc/43/19/00/524431900.db2.gz WQVIZSBCUOCAJM-KGLIPLIRSA-N 0 3 265.353 1.435 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(C)C)c1 ZINC000036781580 524767965 /nfs/dbraw/zinc/76/79/65/524767965.db2.gz NNXBPWGCPMKSMS-JTQLQIEISA-N 0 3 266.341 1.576 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000279923061 525100452 /nfs/dbraw/zinc/10/04/52/525100452.db2.gz XOAIEMCIVCZKNL-UHFFFAOYSA-N 0 3 287.356 1.588 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1C ZINC000280106365 525317648 /nfs/dbraw/zinc/31/76/48/525317648.db2.gz ARNVCWJGXUPZJE-OAHLLOKOSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1C ZINC000280106365 525317658 /nfs/dbraw/zinc/31/76/58/525317658.db2.gz ARNVCWJGXUPZJE-OAHLLOKOSA-N 0 3 262.353 1.706 20 10 CDCDHN COc1cccc(CNCC(=O)NC(C)C)c1O ZINC000036781599 526010454 /nfs/dbraw/zinc/01/04/54/526010454.db2.gz FENXFUGWBAPWSY-UHFFFAOYSA-N 0 3 252.314 1.015 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCOCCO)C[C@@H]1CCCO1 ZINC000265809853 527556527 /nfs/dbraw/zinc/55/65/27/527556527.db2.gz PTFAONQCLRBTMD-HNNXBMFYSA-N 0 3 295.379 1.382 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCOCCO)C[C@@H]1CCCO1 ZINC000265809853 527556531 /nfs/dbraw/zinc/55/65/31/527556531.db2.gz PTFAONQCLRBTMD-HNNXBMFYSA-N 0 3 295.379 1.382 20 10 CDCDHN COc1cccc(C[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000754831887 575074734 /nfs/dbraw/zinc/07/47/34/575074734.db2.gz BGXBWIDGCGDRKC-LBPRGKRZSA-N 0 3 251.326 1.651 20 10 CDCDHN CN(CCNC(=O)NCc1ccccc1O)C1CC1 ZINC000732885529 575098523 /nfs/dbraw/zinc/09/85/23/575098523.db2.gz BBEFVRGNVNVVRM-UHFFFAOYSA-N 0 3 263.341 1.286 20 10 CDCDHN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510503 575458484 /nfs/dbraw/zinc/45/84/84/575458484.db2.gz MVYDPYRXVMJJBE-AWEZNQCLSA-N 0 3 274.364 1.979 20 10 CDCDHN O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510503 575458488 /nfs/dbraw/zinc/45/84/88/575458488.db2.gz MVYDPYRXVMJJBE-AWEZNQCLSA-N 0 3 274.364 1.979 20 10 CDCDHN CNC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331226 576009312 /nfs/dbraw/zinc/00/93/12/576009312.db2.gz CUBQLCVMEDILTH-CYBMUJFWSA-N 0 3 291.395 1.310 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000768463077 576287149 /nfs/dbraw/zinc/28/71/49/576287149.db2.gz FWSXLVYIZYCDGO-HOCLYGCPSA-N 0 3 291.347 1.430 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000768463077 576287150 /nfs/dbraw/zinc/28/71/50/576287150.db2.gz FWSXLVYIZYCDGO-HOCLYGCPSA-N 0 3 291.347 1.430 20 10 CDCDHN CCC1(O)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768465330 576287276 /nfs/dbraw/zinc/28/72/76/576287276.db2.gz GZKQWZIVNPVQGU-AWEZNQCLSA-N 0 3 293.363 1.555 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000769482002 576357751 /nfs/dbraw/zinc/35/77/51/576357751.db2.gz DVUGHAGQQRBMKZ-ZFWWWQNUSA-N 0 3 262.353 1.215 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000769482000 576358090 /nfs/dbraw/zinc/35/80/90/576358090.db2.gz DVUGHAGQQRBMKZ-HIFRSBDPSA-N 0 3 262.353 1.215 20 10 CDCDHN C[C@H](CC(N)=O)NCc1ccc(N(C)C)c(F)c1 ZINC000749128314 576936590 /nfs/dbraw/zinc/93/65/90/576936590.db2.gz LZDMRLCMNZLOJQ-SECBINFHSA-N 0 3 253.321 1.245 20 10 CDCDHN CCO[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000759171824 577156938 /nfs/dbraw/zinc/15/69/38/577156938.db2.gz ASDCTSZDTGGGAE-ZBFHGGJFSA-N 0 3 277.364 1.905 20 10 CDCDHN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)c(O)c1 ZINC000877326283 618605864 /nfs/dbraw/zinc/60/58/64/618605864.db2.gz VRAVKTMQJYERJF-GTNSWQLSSA-N 0 3 255.383 1.899 20 10 CDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000895319923 619552189 /nfs/dbraw/zinc/55/21/89/619552189.db2.gz ZLOFMIZESSCOPA-HNNXBMFYSA-N 0 3 287.407 1.901 20 10 CDCDHN COCC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000895970079 619928402 /nfs/dbraw/zinc/92/84/02/619928402.db2.gz BLYDHHWPDAATKG-UHFFFAOYSA-N 0 3 251.282 1.199 20 10 CDCDHN CCN1CC[C@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000883361227 620023887 /nfs/dbraw/zinc/02/38/87/620023887.db2.gz WZETWFFGFYRCKJ-NSHDSACASA-N 0 3 250.342 1.585 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)C(C)C ZINC000808421400 1162851370 /nfs/dbraw/zinc/85/13/70/1162851370.db2.gz FQYMDAGVHYNZBK-NSHDSACASA-N 0 3 253.342 1.755 20 10 CDCDHN OC[C@]1(NCc2ccc(N3CCCC3)cc2)CCOC1 ZINC000393893326 1159508586 /nfs/dbraw/zinc/50/85/86/1159508586.db2.gz YVUFJXFUINHWLQ-MRXNPFEDSA-N 0 3 276.380 1.528 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)CN(C)C2CCC2)c1 ZINC000863936907 1164495525 /nfs/dbraw/zinc/49/55/25/1164495525.db2.gz BHYGFOSKPMDRBM-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000160321437 1178392362 /nfs/dbraw/zinc/39/23/62/1178392362.db2.gz JFWSXUOVAVNYGV-AWEZNQCLSA-N 0 3 270.332 1.995 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000160321437 1178392370 /nfs/dbraw/zinc/39/23/70/1178392370.db2.gz JFWSXUOVAVNYGV-AWEZNQCLSA-N 0 3 270.332 1.995 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877798103 1166103461 /nfs/dbraw/zinc/10/34/61/1166103461.db2.gz HINOGCPTPXVOIX-UHFFFAOYSA-N 0 3 265.353 1.267 20 10 CDCDHN O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827634624 783822014 /nfs/dbraw/zinc/82/20/14/783822014.db2.gz WMXJYGDVORLXRP-GFCCVEGCSA-N 0 3 292.354 1.976 20 10 CDCDHN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827634624 783822022 /nfs/dbraw/zinc/82/20/22/783822022.db2.gz WMXJYGDVORLXRP-GFCCVEGCSA-N 0 3 292.354 1.976 20 10 CDCDHN CC[NH2+]CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817942646 784003593 /nfs/dbraw/zinc/00/35/93/784003593.db2.gz BUHCPHWBGUBNSV-SNVBAGLBSA-N 0 3 267.329 1.951 20 10 CDCDHN Cc1cccc(O)c1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC000877547071 784330057 /nfs/dbraw/zinc/33/00/57/784330057.db2.gz QEXNSQXUYKCRKX-LBPRGKRZSA-N 0 3 283.393 1.567 20 10 CDCDHN C[C@H]1C[C@@H](NCc2cnnn2C)c2c1c(F)ccc2O ZINC000806659926 784805476 /nfs/dbraw/zinc/80/54/76/784805476.db2.gz KCWYHNSPJGKTOE-GZMMTYOYSA-N 0 3 276.315 1.998 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2[O-] ZINC000806659926 784805477 /nfs/dbraw/zinc/80/54/77/784805477.db2.gz KCWYHNSPJGKTOE-GZMMTYOYSA-N 0 3 276.315 1.998 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977340 785502488 /nfs/dbraw/zinc/50/24/88/785502488.db2.gz HXZXKQCLGWIMQP-HDRXNWCYSA-N 0 3 276.336 1.047 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877002913 785997631 /nfs/dbraw/zinc/99/76/31/785997631.db2.gz GFKVHLDEZSLSLN-CYBMUJFWSA-N 0 3 272.352 1.705 20 10 CDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924219 786136414 /nfs/dbraw/zinc/13/64/14/786136414.db2.gz SZAPMKUPZICXNA-QWRGUYRKSA-N 0 3 278.352 1.587 20 10 CDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000842913297 786819560 /nfs/dbraw/zinc/81/95/60/786819560.db2.gz YVRHBTBSAAWXIH-MPKXVKKWSA-N 0 3 251.326 1.765 20 10 CDCDHN CO[C@@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877371968 787367835 /nfs/dbraw/zinc/36/78/35/787367835.db2.gz SFEVVVBDHTZWCU-CQSZACIVSA-N 0 3 251.326 1.596 20 10 CDCDHN CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000858586836 787578892 /nfs/dbraw/zinc/57/88/92/787578892.db2.gz LELOATDKSJEIFK-NWDGAFQWSA-N 0 3 279.384 1.812 20 10 CDCDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1[O-] ZINC000843121327 787587072 /nfs/dbraw/zinc/58/70/72/787587072.db2.gz DJAKLUHBHXJRLD-RYUDHWBXSA-N 0 3 256.296 1.663 20 10 CDCDHN Cc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000877652307 787603261 /nfs/dbraw/zinc/60/32/61/787603261.db2.gz UMQQUCDWEZTNJK-AWEZNQCLSA-N 0 3 291.395 1.130 20 10 CDCDHN C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1[O-] ZINC000858548858 787899821 /nfs/dbraw/zinc/89/98/21/787899821.db2.gz PWXHGOJUQSKOBQ-NWDGAFQWSA-N 0 3 250.342 1.109 20 10 CDCDHN COC(=O)c1cnc(SC[C@@H]2CCN(C)C2)s1 ZINC000829677713 788337562 /nfs/dbraw/zinc/33/75/62/788337562.db2.gz JCNJBZJLFSUXIY-MRVPVSSYSA-N 0 3 272.395 1.974 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1 ZINC000827000002 788376882 /nfs/dbraw/zinc/37/68/82/788376882.db2.gz GBDXVGYHLIJQPI-LBPRGKRZSA-N 0 3 292.335 1.427 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Cl)cc1[O-] ZINC000841765270 788855055 /nfs/dbraw/zinc/85/50/55/788855055.db2.gz WYTLMGVPBKQZRF-GXSJLCMTSA-N 0 3 272.776 1.619 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c([O-])c1 ZINC000710879031 789301334 /nfs/dbraw/zinc/30/13/34/789301334.db2.gz OZGQVMSZGSQXTE-RAIGVLPGSA-N 0 3 251.326 1.501 20 10 CDCDHN Cc1ccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000876974423 789398217 /nfs/dbraw/zinc/39/82/17/789398217.db2.gz HBGQFWLIVHAHDK-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000136822882 1166528268 /nfs/dbraw/zinc/52/82/68/1166528268.db2.gz CLSYDXPEKMBVTP-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000136822882 1166528272 /nfs/dbraw/zinc/52/82/72/1166528272.db2.gz CLSYDXPEKMBVTP-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173741315 912771858 /nfs/dbraw/zinc/77/18/58/912771858.db2.gz WLQFBCKWHZXANJ-NWDGAFQWSA-N 0 3 289.339 1.358 20 10 CDCDHN N[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001204820006 907453130 /nfs/dbraw/zinc/45/31/30/907453130.db2.gz MKDAFBMKXCXNNJ-CABCVRRESA-N 0 3 263.360 1.768 20 10 CDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@]1(C)O ZINC001204275702 916503969 /nfs/dbraw/zinc/50/39/69/916503969.db2.gz AAGLTAIDMOBYCJ-HZMBPMFUSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@]1(C)O ZINC001204275702 916503984 /nfs/dbraw/zinc/50/39/84/916503984.db2.gz AAGLTAIDMOBYCJ-HZMBPMFUSA-N 0 3 251.326 1.691 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1[O-] ZINC001203585662 919105316 /nfs/dbraw/zinc/10/53/16/919105316.db2.gz ROANJRAWUQCUSZ-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1[O-] ZINC001203585662 919105324 /nfs/dbraw/zinc/10/53/24/919105324.db2.gz ROANJRAWUQCUSZ-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)c(OC)c1 ZINC001141031318 936795272 /nfs/dbraw/zinc/79/52/72/936795272.db2.gz CTPWPYZFCQEKBY-NSHDSACASA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CO)C2)c(OC)c1 ZINC001141031318 936795274 /nfs/dbraw/zinc/79/52/74/936795274.db2.gz CTPWPYZFCQEKBY-NSHDSACASA-N 0 3 281.352 1.614 20 10 CDCDHN CC(=O)N1CCC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC001169586194 928238577 /nfs/dbraw/zinc/23/85/77/928238577.db2.gz URNSBQVXNXDUJE-GFCCVEGCSA-N 0 3 264.325 1.198 20 10 CDCDHN O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000694592636 937259728 /nfs/dbraw/zinc/25/97/28/937259728.db2.gz ZTLCXOYKHXYDSE-GFCCVEGCSA-N 0 3 269.366 1.449 20 10 CDCDHN C[C@@H]1CCN(CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001152574563 937372763 /nfs/dbraw/zinc/37/27/63/937372763.db2.gz YIDSVLWWCXZIEU-LLVKDONJSA-N 0 3 260.337 1.576 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193825 930476646 /nfs/dbraw/zinc/47/66/46/930476646.db2.gz QOQIYRLJDMVRQO-OAHLLOKOSA-N 0 3 291.395 1.267 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000779102182 934400166 /nfs/dbraw/zinc/40/01/66/934400166.db2.gz RQKRFKATZFIHJE-VXGBXAGGSA-N 0 3 266.316 1.536 20 10 CDCDHN CN1CCC2(CCN(Cc3ccc(N)cc3)CC2)C1=O ZINC001120371133 937796382 /nfs/dbraw/zinc/79/63/82/937796382.db2.gz RULOIWZXNLDZHE-UHFFFAOYSA-N 0 3 273.380 1.713 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001203634829 939698852 /nfs/dbraw/zinc/69/88/52/939698852.db2.gz XDHXBFKEXJJWME-CYBMUJFWSA-N 0 3 278.352 1.453 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001203634829 939698854 /nfs/dbraw/zinc/69/88/54/939698854.db2.gz XDHXBFKEXJJWME-CYBMUJFWSA-N 0 3 278.352 1.453 20 10 CDCDHN OC[C@]1(F)CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874903 939710217 /nfs/dbraw/zinc/71/02/17/939710217.db2.gz DYGRQHKGBRCUCU-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@@](C)([NH3+])C2)cc1Cl ZINC001204791135 939791439 /nfs/dbraw/zinc/79/14/39/939791439.db2.gz OKYDYJNCNQHMMB-CYBMUJFWSA-N 0 3 270.760 1.977 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206011419 939967667 /nfs/dbraw/zinc/96/76/67/939967667.db2.gz CDVSGSKMFHFLGI-WCQYABFASA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206011419 939967670 /nfs/dbraw/zinc/96/76/70/939967670.db2.gz CDVSGSKMFHFLGI-WCQYABFASA-N 0 3 292.379 1.897 20 10 CDCDHN O=C1c2ccccc2C(=O)c2cc(OC3CNC3)ccc21 ZINC001218051742 941037802 /nfs/dbraw/zinc/03/78/02/941037802.db2.gz AWGKHLXVZLUXSA-UHFFFAOYSA-N 0 3 279.295 1.813 20 10 CDCDHN [NH3+]CC1(F)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001222538468 941610379 /nfs/dbraw/zinc/61/03/79/941610379.db2.gz NCYZXTVYNFDOTO-UHFFFAOYSA-N 0 3 274.286 1.933 20 10 CDCDHN COc1cc(CN2CCCO[C@H](C)C2)c(O)cc1O ZINC001231634486 942949671 /nfs/dbraw/zinc/94/96/71/942949671.db2.gz NWMBELDTSXECMU-SNVBAGLBSA-N 0 3 267.325 1.717 20 10 CDCDHN Cc1nc(CCN(C)Cc2cc(O)c(O)cc2O)no1 ZINC001233483245 943592378 /nfs/dbraw/zinc/59/23/78/943592378.db2.gz SCRDYXMYHTZCPE-UHFFFAOYSA-N 0 3 279.296 1.169 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807709 944576236 /nfs/dbraw/zinc/57/62/36/944576236.db2.gz KAYRRFQEYOKBEL-NSHDSACASA-N 0 3 279.336 1.704 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807709 944576242 /nfs/dbraw/zinc/57/62/42/944576242.db2.gz KAYRRFQEYOKBEL-NSHDSACASA-N 0 3 279.336 1.704 20 10 CDCDHN COC(=O)Cc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001249173765 949443552 /nfs/dbraw/zinc/44/35/52/949443552.db2.gz VTIGTUFGRCABJW-UHFFFAOYSA-N 0 3 291.347 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)c([O-])c1 ZINC001249173765 949443570 /nfs/dbraw/zinc/44/35/70/949443570.db2.gz VTIGTUFGRCABJW-UHFFFAOYSA-N 0 3 291.347 1.064 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC001308689529 956562707 /nfs/dbraw/zinc/56/27/07/956562707.db2.gz OPBCAJCIBOCNFN-CYBMUJFWSA-N 0 3 295.379 1.683 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC001308689529 956562718 /nfs/dbraw/zinc/56/27/18/956562718.db2.gz OPBCAJCIBOCNFN-CYBMUJFWSA-N 0 3 295.379 1.683 20 10 CDCDHN Cc1cc(N2CC[C@H](NCc3ccc(N)cc3)C2=O)n(C)n1 ZINC001336284717 960287830 /nfs/dbraw/zinc/28/78/30/960287830.db2.gz CCEOIOYCPRMGCS-AWEZNQCLSA-N 0 3 299.378 1.206 20 10 CDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001337070858 960911988 /nfs/dbraw/zinc/91/19/88/960911988.db2.gz YHOWLGVGKILBPY-QWRGUYRKSA-N 0 3 262.357 1.161 20 10 CDCDHN Nc1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC001337837745 961460115 /nfs/dbraw/zinc/46/01/15/961460115.db2.gz DMTXULIWKKKLCV-AWEZNQCLSA-N 0 3 274.368 1.305 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2cncn2C)c1 ZINC000271760605 362039231 /nfs/dbraw/zinc/03/92/31/362039231.db2.gz ASLANIZSYWSNFL-JTQLQIEISA-N 0 3 261.325 1.985 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000092470844 342413147 /nfs/dbraw/zinc/41/31/47/342413147.db2.gz IPAOLGXINSQZSH-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000092470844 342413148 /nfs/dbraw/zinc/41/31/48/342413148.db2.gz IPAOLGXINSQZSH-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180526085 357274661 /nfs/dbraw/zinc/27/46/61/357274661.db2.gz FSCOZWCDCMRCLJ-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180526085 357274666 /nfs/dbraw/zinc/27/46/66/357274666.db2.gz FSCOZWCDCMRCLJ-CYBMUJFWSA-N 0 3 295.379 1.886 20 10 CDCDHN Cc1cccc(C[N@@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188845463 357944649 /nfs/dbraw/zinc/94/46/49/357944649.db2.gz QCSADYQCORFANF-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188845463 357944653 /nfs/dbraw/zinc/94/46/53/357944653.db2.gz QCSADYQCORFANF-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294769720 199174687 /nfs/dbraw/zinc/17/46/87/199174687.db2.gz KCVWZSBOTBWSMT-UHFFFAOYSA-N 0 3 253.342 1.899 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCCO1)OCO2 ZINC000042880565 358983866 /nfs/dbraw/zinc/98/38/66/358983866.db2.gz LYVIUYGEELDFLE-LLVKDONJSA-N 0 3 265.309 1.780 20 10 CDCDHN Cn1cc(N2CC[C@H]([NH2+]Cc3ccccc3[O-])C2)cn1 ZINC000370902168 359105412 /nfs/dbraw/zinc/10/54/12/359105412.db2.gz AYYLDOGEIDRINZ-ZDUSSCGKSA-N 0 3 272.352 1.494 20 10 CDCDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296880386 200023967 /nfs/dbraw/zinc/02/39/67/200023967.db2.gz OEJBZQZOXAAAQO-PWSUYJOCSA-N 0 3 283.393 1.792 20 10 CDCDHN NC(=O)CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271247270 364977878 /nfs/dbraw/zinc/97/78/78/364977878.db2.gz CVXHQRIYEFQVNI-UHFFFAOYSA-N 0 3 262.353 1.870 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000168413692 364984755 /nfs/dbraw/zinc/98/47/55/364984755.db2.gz ZIKOZSZVSGDNLJ-XLFHBGCDSA-N 0 3 257.355 1.257 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000168867984 365008912 /nfs/dbraw/zinc/00/89/12/365008912.db2.gz CRCXFTRKWGOHBI-RAALSFIWSA-N 0 3 271.382 1.818 20 10 CDCDHN CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1[O-] ZINC000183348494 365426978 /nfs/dbraw/zinc/42/69/78/365426978.db2.gz HIINIEIZAKCDQR-GFCCVEGCSA-N 0 3 286.397 1.372 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1C ZINC000273612172 365514344 /nfs/dbraw/zinc/51/43/44/365514344.db2.gz WLIINLVSXIQXIO-CABCVRRESA-N 0 3 291.439 1.905 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273364277 365488535 /nfs/dbraw/zinc/48/85/35/365488535.db2.gz BBQTUSFAZCXCEH-WDEREUQCSA-N 0 3 276.340 1.732 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273558568 365508548 /nfs/dbraw/zinc/50/85/48/365508548.db2.gz HNCUWXHGSMCPAL-VXGBXAGGSA-N 0 3 253.342 1.667 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000280122716 367268309 /nfs/dbraw/zinc/26/83/09/367268309.db2.gz BTSXLPMHMPSCHF-OAHLLOKOSA-N 0 3 279.359 1.589 20 10 CDCDHN CCN(CCOCCO)Cc1cc(OC)c(OC)cc1O ZINC000282779982 368033981 /nfs/dbraw/zinc/03/39/81/368033981.db2.gz QHPZGNWGGPCVHF-UHFFFAOYSA-N 0 3 299.367 1.240 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000282779982 368033982 /nfs/dbraw/zinc/03/39/82/368033982.db2.gz QHPZGNWGGPCVHF-UHFFFAOYSA-N 0 3 299.367 1.240 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000282779982 368033988 /nfs/dbraw/zinc/03/39/88/368033988.db2.gz QHPZGNWGGPCVHF-UHFFFAOYSA-N 0 3 299.367 1.240 20 10 CDCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282829543 368057671 /nfs/dbraw/zinc/05/76/71/368057671.db2.gz ZFUJIODWZZBXGB-NSHDSACASA-N 0 3 267.348 1.316 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCCF)c1 ZINC000282963847 368124432 /nfs/dbraw/zinc/12/44/32/368124432.db2.gz ZULVUCIBSJRPPO-UWVGGRQHSA-N 0 3 284.331 1.526 20 10 CDCDHN CN(C)c1ccc(CN2CCCN(C=O)CC2)cc1 ZINC000298198629 372066754 /nfs/dbraw/zinc/06/67/54/372066754.db2.gz XRBXKIYJDFCEEO-UHFFFAOYSA-N 0 3 261.369 1.417 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296540044 378737839 /nfs/dbraw/zinc/73/78/39/378737839.db2.gz QWZBSWOEURSSRN-QWRGUYRKSA-N 0 3 286.397 1.371 20 10 CDCDHN C[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855908 390446294 /nfs/dbraw/zinc/44/62/94/390446294.db2.gz TUMDIHNOWHXYML-CYBMUJFWSA-N 0 3 275.396 1.983 20 10 CDCDHN Cc1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1 ZINC000093756686 390904285 /nfs/dbraw/zinc/90/42/85/390904285.db2.gz BNYODNXLMDRLRF-UHFFFAOYSA-N 0 3 285.347 1.353 20 10 CDCDHN COCC1=CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000185036092 397989235 /nfs/dbraw/zinc/98/92/35/397989235.db2.gz TUQVJIIZNZPYNO-UHFFFAOYSA-N 0 3 277.320 1.899 20 10 CDCDHN CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C[C@@H]1O ZINC000128124126 260372105 /nfs/dbraw/zinc/37/21/05/260372105.db2.gz VZKSFRIDITXTGP-OLZOCXBDSA-N 0 3 265.309 1.370 20 10 CDCDHN CCN(CC)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000154002097 261086688 /nfs/dbraw/zinc/08/66/88/261086688.db2.gz ZRYZVFCWOPHSAW-UHFFFAOYSA-N 0 3 266.341 1.098 20 10 CDCDHN NC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000367700770 267110801 /nfs/dbraw/zinc/11/08/01/267110801.db2.gz CVHOCZOLJHFHCW-SECBINFHSA-N 0 3 252.289 1.229 20 10 CDCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000367700770 267110803 /nfs/dbraw/zinc/11/08/03/267110803.db2.gz CVHOCZOLJHFHCW-SECBINFHSA-N 0 3 252.289 1.229 20 10 CDCDHN Oc1cc2c(cc1CN1CC[C@H](n3cncn3)C1)OCO2 ZINC000368799470 267205925 /nfs/dbraw/zinc/20/59/25/267205925.db2.gz ITGIIUUCVCXPSA-NSHDSACASA-N 0 3 288.307 1.159 20 10 CDCDHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000293510135 277242252 /nfs/dbraw/zinc/24/22/52/277242252.db2.gz OHIDBQLCQYOTOF-HNNXBMFYSA-N 0 3 275.396 1.771 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290206273 328258440 /nfs/dbraw/zinc/25/84/40/328258440.db2.gz VIGJZUIBYMSUJD-LBPRGKRZSA-N 0 3 283.393 1.615 20 10 CDCDHN COC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000230935750 333322710 /nfs/dbraw/zinc/32/27/10/333322710.db2.gz ROLOOMYBRWWKCK-LLVKDONJSA-N 0 3 289.759 1.805 20 10 CDCDHN Cn1c(=O)cccc1NCCc1cc(O)c(O)cc1O ZINC001168014684 1160242432 /nfs/dbraw/zinc/24/24/32/1160242432.db2.gz ZCSOPRUUESPDGF-UHFFFAOYSA-N 0 3 276.292 1.157 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](COC)OC)c1[O-] ZINC000227705006 521365268 /nfs/dbraw/zinc/36/52/68/521365268.db2.gz ARZLFAYLYZVTRG-GFCCVEGCSA-N 0 3 269.341 1.542 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000278634198 521653292 /nfs/dbraw/zinc/65/32/92/521653292.db2.gz IKDLHKCRUYCWSV-UHFFFAOYSA-N 0 3 269.316 1.551 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C)cc1[O-] ZINC000280130281 522854772 /nfs/dbraw/zinc/85/47/72/522854772.db2.gz OXYUAJPUBJPOIO-GDBMZVCRSA-N 0 3 291.439 1.987 20 10 CDCDHN Cc1cccc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000289657805 524432546 /nfs/dbraw/zinc/43/25/46/524432546.db2.gz YJKXCRRTPVTJGJ-UHFFFAOYSA-N 0 3 265.353 1.722 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)OCCO)c1 ZINC000290230871 524749186 /nfs/dbraw/zinc/74/91/86/524749186.db2.gz SUGLVPDLJAHWQM-UHFFFAOYSA-N 0 3 269.341 1.278 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289409432 524750668 /nfs/dbraw/zinc/75/06/68/524750668.db2.gz HQUOZJJWPYYSEF-UHFFFAOYSA-N 0 3 280.368 1.213 20 10 CDCDHN COc1cccc(CNCc2c(C)cnn2C)c1O ZINC000289400922 526023414 /nfs/dbraw/zinc/02/34/14/526023414.db2.gz GNGPRXGLPWQRCY-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN C[NH+]1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732283454 575086762 /nfs/dbraw/zinc/08/67/62/575086762.db2.gz JCMCBTQCZMKGST-UHFFFAOYSA-N 0 3 254.355 1.525 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@H]1O ZINC000770378260 575473862 /nfs/dbraw/zinc/47/38/62/575473862.db2.gz HAEKQPARSQDECP-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@H]1O ZINC000770378260 575473864 /nfs/dbraw/zinc/47/38/64/575473864.db2.gz HAEKQPARSQDECP-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1CN1CC[NH2+]C(C)(C)C1 ZINC000769191816 576336943 /nfs/dbraw/zinc/33/69/43/576336943.db2.gz NSWXQRSGWMYJDI-UHFFFAOYSA-N 0 3 250.342 1.585 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c2c1c(F)ccc2[O-] ZINC000756552218 576995111 /nfs/dbraw/zinc/99/51/11/576995111.db2.gz DCVTZKMJSRBXHG-CKYFFXLPSA-N 0 3 282.359 1.592 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000756554886 576995455 /nfs/dbraw/zinc/99/54/55/576995455.db2.gz JVKLLICYMFTDSO-MWLCHTKSSA-N 0 3 272.776 1.619 20 10 CDCDHN CC(=O)OC[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000892737946 617683296 /nfs/dbraw/zinc/68/32/96/617683296.db2.gz PLVWJKJROUMGBH-SNVBAGLBSA-N 0 3 268.332 1.933 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)C(=O)N(C)C)c1O ZINC000894394170 618850355 /nfs/dbraw/zinc/85/03/55/618850355.db2.gz UMPNTQVWCMULEY-SNVBAGLBSA-N 0 3 266.341 1.276 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000894453303 618894426 /nfs/dbraw/zinc/89/44/26/618894426.db2.gz OCNSUYCMGNAMMT-WYRIXSBYSA-N 0 3 285.409 1.908 20 10 CDCDHN CCOc1ccc(O)c(CNC2(C)CN(C(=O)OC)C2)c1 ZINC000894542538 618952513 /nfs/dbraw/zinc/95/25/13/618952513.db2.gz MNLLJLDKGCFTQA-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895749640 619825956 /nfs/dbraw/zinc/82/59/56/619825956.db2.gz UOQYBWLUBPAVHP-STQMWFEESA-N 0 3 265.353 1.720 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCNC(=O)C(C)C ZINC000877120682 1165978618 /nfs/dbraw/zinc/97/86/18/1165978618.db2.gz MJNYCAFEUGQSLO-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[NH2+]C[C@H]1O ZINC001580886031 1172564340 /nfs/dbraw/zinc/56/43/40/1172564340.db2.gz VNZVIIHEEABZHQ-GHMZBOCLSA-N 0 3 291.178 1.511 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877119153 790373015 /nfs/dbraw/zinc/37/30/15/790373015.db2.gz BSHVCVTZCQJGGI-DGCLKSJQSA-N 0 3 262.353 1.705 20 10 CDCDHN C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000834897964 790865353 /nfs/dbraw/zinc/86/53/53/790865353.db2.gz XSULCXBUFYLBEX-QAHWYCSRSA-N 0 3 267.300 1.429 20 10 CDCDHN CCN(CC)C(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849024870 790891348 /nfs/dbraw/zinc/89/13/48/790891348.db2.gz CXOJZLSHUGYFNU-UHFFFAOYSA-N 0 3 251.330 1.767 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385289833 791332550 /nfs/dbraw/zinc/33/25/50/791332550.db2.gz CAVOFLAGTLTTSK-SKDRFNHKSA-N 0 3 297.196 1.948 20 10 CDCDHN COc1ccc(C[NH2+]CC[C@H]2CCOC2)c([O-])c1 ZINC000230163422 790079682 /nfs/dbraw/zinc/07/96/82/790079682.db2.gz CDGHIYUFGGEAQN-NSHDSACASA-N 0 3 251.326 1.917 20 10 CDCDHN N[C@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000817939756 791496076 /nfs/dbraw/zinc/49/60/76/791496076.db2.gz BSBCNNLYNITEGY-JTQLQIEISA-N 0 3 285.438 1.869 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865682556 791865927 /nfs/dbraw/zinc/86/59/27/791865927.db2.gz HPRLHAHTVZWCQL-LLVKDONJSA-N 0 3 286.257 1.877 20 10 CDCDHN CCOCc1cc(CN[C@H](CC)C(=O)NC)ccc1OC ZINC000825315430 791965769 /nfs/dbraw/zinc/96/57/69/791965769.db2.gz AGWXEEMYRXQQJW-CQSZACIVSA-N 0 3 294.395 1.846 20 10 CDCDHN C[NH+](C)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000715579145 792075881 /nfs/dbraw/zinc/07/58/81/792075881.db2.gz NQHBESPDRYXDTC-UHFFFAOYSA-N 0 3 278.352 1.700 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840889635 793049735 /nfs/dbraw/zinc/04/97/35/793049735.db2.gz SYXUVNDZHJBOPG-GFCCVEGCSA-N 0 3 283.393 1.794 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000380222907 793416778 /nfs/dbraw/zinc/41/67/78/793416778.db2.gz JPRQCSCOERBGMC-GFCCVEGCSA-N 0 3 295.814 1.525 20 10 CDCDHN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000825045873 793430582 /nfs/dbraw/zinc/43/05/82/793430582.db2.gz NHZHDROYLUXZDD-SNVBAGLBSA-N 0 3 263.316 1.986 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775412492 793580461 /nfs/dbraw/zinc/58/04/61/793580461.db2.gz NJQVOQGATBRNCU-CQSZACIVSA-N 0 3 291.395 1.207 20 10 CDCDHN CCS(=O)(=O)CCCNCc1ccc(OC)c(C)c1 ZINC000840973896 793756089 /nfs/dbraw/zinc/75/60/89/793756089.db2.gz XUXZYEWORCFRLY-UHFFFAOYSA-N 0 3 285.409 1.918 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C1CCOCC1)CC2 ZINC000834761961 793839264 /nfs/dbraw/zinc/83/92/64/793839264.db2.gz WJLOSYVPVVFREP-ZIAGYGMSSA-N 0 3 277.364 1.757 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000169091954 794188577 /nfs/dbraw/zinc/18/85/77/794188577.db2.gz CSCVATGRFCIMSU-ZETCQYMHSA-N 0 3 272.732 1.408 20 10 CDCDHN CCc1cccc(CN2CCN(C)C[C@@H]2CO)c1O ZINC000877643190 794198387 /nfs/dbraw/zinc/19/83/87/794198387.db2.gz BYLXFEZIVYNOHM-CQSZACIVSA-N 0 3 264.369 1.063 20 10 CDCDHN CCN1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000922639840 794256909 /nfs/dbraw/zinc/25/69/09/794256909.db2.gz PRGSBINBRAFUBQ-NSHDSACASA-N 0 3 292.335 1.221 20 10 CDCDHN Cc1cccc(CN(C)CCNC(=O)N(C)C)c1O ZINC000779432297 794261433 /nfs/dbraw/zinc/26/14/33/794261433.db2.gz QRPKRTRMBDMNNH-UHFFFAOYSA-N 0 3 265.357 1.404 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCOCCO)c([O-])c1 ZINC000800547301 794289274 /nfs/dbraw/zinc/28/92/74/794289274.db2.gz XIAZETBEGLXODS-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCOCCO)c([O-])c1 ZINC000800547301 794289288 /nfs/dbraw/zinc/28/92/88/794289288.db2.gz XIAZETBEGLXODS-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000817281495 794465233 /nfs/dbraw/zinc/46/52/33/794465233.db2.gz XGECDRSJSGPZMW-AWEZNQCLSA-N 0 3 261.369 1.463 20 10 CDCDHN CC(C)S(=O)(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000232790612 794955855 /nfs/dbraw/zinc/95/58/55/794955855.db2.gz YXFVPSLKRAGOCU-UHFFFAOYSA-N 0 3 257.355 1.305 20 10 CDCDHN CC(C)S(=O)(=O)CCNCc1ccccc1O ZINC000232790612 794955859 /nfs/dbraw/zinc/95/58/59/794955859.db2.gz YXFVPSLKRAGOCU-UHFFFAOYSA-N 0 3 257.355 1.305 20 10 CDCDHN Cc1ccc(C[NH2+]CCOC[C@@H]2CCOC2)c([O-])c1 ZINC000877008178 795607645 /nfs/dbraw/zinc/60/76/45/795607645.db2.gz MHZGNECRODYOMA-CYBMUJFWSA-N 0 3 265.353 1.843 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000858547618 795832120 /nfs/dbraw/zinc/83/21/20/795832120.db2.gz HOZNUQBHTBQOQK-UKRRQHHQSA-N 0 3 278.396 1.808 20 10 CDCDHN CCNC(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000228677089 795840527 /nfs/dbraw/zinc/84/05/27/795840527.db2.gz WMVJCGBSPXVLPG-UHFFFAOYSA-N 0 3 272.732 1.280 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000877516019 795899753 /nfs/dbraw/zinc/89/97/53/795899753.db2.gz ARWSHCVQAOHUAI-LSDHHAIUSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000877516019 795899757 /nfs/dbraw/zinc/89/97/57/795899757.db2.gz ARWSHCVQAOHUAI-LSDHHAIUSA-N 0 3 290.407 1.996 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)C1CCOCC1)CC2 ZINC000834761956 795930785 /nfs/dbraw/zinc/93/07/85/795930785.db2.gz WJLOSYVPVVFREP-KBPBESRZSA-N 0 3 277.364 1.757 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1F ZINC000827905925 796293477 /nfs/dbraw/zinc/29/34/77/796293477.db2.gz CMYAXKPKYUKACU-SNVBAGLBSA-N 0 3 289.301 1.490 20 10 CDCDHN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172600981 911767720 /nfs/dbraw/zinc/76/77/20/911767720.db2.gz HCSTVAZPLMNROJ-JQWIXIFHSA-N 0 3 279.336 1.919 20 10 CDCDHN CN1CCCc2cc(CN3CCc4nncn4CC3)ccc21 ZINC001138354335 936525038 /nfs/dbraw/zinc/52/50/38/936525038.db2.gz FQBARFSGQQBKFX-UHFFFAOYSA-N 0 3 297.406 1.719 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c([O-])c1 ZINC001203620748 919677537 /nfs/dbraw/zinc/67/75/37/919677537.db2.gz HMNSAHWVZHLWPP-UHFFFAOYSA-N 0 3 290.363 1.503 20 10 CDCDHN CC(C)C(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159227 936822087 /nfs/dbraw/zinc/82/20/87/936822087.db2.gz CUSFSQXHEZPMFT-UHFFFAOYSA-N 0 3 292.379 1.834 20 10 CDCDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882577 925201443 /nfs/dbraw/zinc/20/14/43/925201443.db2.gz MSPNXHZURFQYNP-HNNXBMFYSA-N 0 3 279.336 1.873 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001168987234 927623067 /nfs/dbraw/zinc/62/30/67/927623067.db2.gz HRMHATOHZADLSH-GXSJLCMTSA-N 0 3 266.297 1.633 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC001203560686 939693234 /nfs/dbraw/zinc/69/32/34/939693234.db2.gz GJTWUUNEJHYDRQ-CYBMUJFWSA-N 0 3 265.309 1.156 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC001203560686 939693235 /nfs/dbraw/zinc/69/32/35/939693235.db2.gz GJTWUUNEJHYDRQ-CYBMUJFWSA-N 0 3 265.309 1.156 20 10 CDCDHN COC(=O)[C@@H]1COCCC12CN(Cc1ccccc1O)C2 ZINC001203558632 939693347 /nfs/dbraw/zinc/69/33/47/939693347.db2.gz RCMUYWTUVNWFLM-ZDUSSCGKSA-N 0 3 291.347 1.404 20 10 CDCDHN COc1cccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001203589442 939695032 /nfs/dbraw/zinc/69/50/32/939695032.db2.gz IEVAVPIFNVQPSK-PWSUYJOCSA-N 0 3 285.290 1.867 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278653 939751705 /nfs/dbraw/zinc/75/17/05/939751705.db2.gz GZTZTGIVRVBCGN-PWSUYJOCSA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278653 939751707 /nfs/dbraw/zinc/75/17/07/939751707.db2.gz GZTZTGIVRVBCGN-PWSUYJOCSA-N 0 3 279.336 1.871 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197982 939996254 /nfs/dbraw/zinc/99/62/54/939996254.db2.gz KPSHHVIZFFWHEM-MWLCHTKSSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197982 939996255 /nfs/dbraw/zinc/99/62/55/939996255.db2.gz KPSHHVIZFFWHEM-MWLCHTKSSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197981 939996447 /nfs/dbraw/zinc/99/64/47/939996447.db2.gz KPSHHVIZFFWHEM-KOLCDFICSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197981 939996449 /nfs/dbraw/zinc/99/64/49/939996449.db2.gz KPSHHVIZFFWHEM-KOLCDFICSA-N 0 3 274.286 1.932 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](OC)C1 ZINC001231852228 943030181 /nfs/dbraw/zinc/03/01/81/943030181.db2.gz SGIHWONLCONRLV-AWEZNQCLSA-N 0 3 264.369 1.982 20 10 CDCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(O)c(O)c(O)c1 ZINC001233014324 943463656 /nfs/dbraw/zinc/46/36/56/943463656.db2.gz PAYAULVBFONYII-VHSXEESVSA-N 0 3 266.341 1.328 20 10 CDCDHN CCC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485088 943592463 /nfs/dbraw/zinc/59/24/63/943592463.db2.gz INIDWJAKJUIVIC-UHFFFAOYSA-N 0 3 294.351 1.294 20 10 CDCDHN COc1cc(O)c(CN2CC([C@H](C)OC)C2)cc1OC ZINC001236753041 944557272 /nfs/dbraw/zinc/55/72/72/944557272.db2.gz GEBWWHUSOFGWES-JTQLQIEISA-N 0 3 281.352 1.876 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c([O-])c1 ZINC001237050141 944647367 /nfs/dbraw/zinc/64/73/67/944647367.db2.gz QFVHKPVOGDIGIZ-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCOC[C@@](C)(O)C2)c([O-])c1 ZINC001237050141 944647375 /nfs/dbraw/zinc/64/73/75/944647375.db2.gz QFVHKPVOGDIGIZ-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(CN2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001237050141 944647381 /nfs/dbraw/zinc/64/73/81/944647381.db2.gz QFVHKPVOGDIGIZ-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN Cc1cc(F)cc(CN2CCN(C)[C@H](C)C2)c1O ZINC001238070793 945053035 /nfs/dbraw/zinc/05/30/35/945053035.db2.gz PGZAXKOCBCGDIZ-LLVKDONJSA-N 0 3 252.333 1.976 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001257028055 948486015 /nfs/dbraw/zinc/48/60/15/948486015.db2.gz QAEWKAHSRVLTHL-CMPLNLGQSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001249171514 949437107 /nfs/dbraw/zinc/43/71/07/949437107.db2.gz CYODEXKBWISFOK-MRXNPFEDSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001249171514 949437120 /nfs/dbraw/zinc/43/71/20/949437120.db2.gz CYODEXKBWISFOK-MRXNPFEDSA-N 0 3 293.363 1.312 20 10 CDCDHN CC(C)(C)OC(=O)[C@H](O)CN1CCc2cccc(O)c2C1 ZINC001253691158 952040841 /nfs/dbraw/zinc/04/08/41/952040841.db2.gz PHARMYNKWKGIQX-CQSZACIVSA-N 0 3 293.363 1.453 20 10 CDCDHN Nc1ccc(-n2cc(-c3cnccc3N)nn2)cc1 ZINC001254080363 952187666 /nfs/dbraw/zinc/18/76/66/952187666.db2.gz CNLMRXDKQOOHGC-UHFFFAOYSA-N 0 3 252.281 1.324 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001319706771 958695908 /nfs/dbraw/zinc/69/59/08/958695908.db2.gz CQHRNWLTZKEZGK-OAHLLOKOSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(CO)C1 ZINC001319706771 958695913 /nfs/dbraw/zinc/69/59/13/958695913.db2.gz CQHRNWLTZKEZGK-OAHLLOKOSA-N 0 3 265.353 1.995 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001337070857 960911630 /nfs/dbraw/zinc/91/16/30/960911630.db2.gz YHOWLGVGKILBPY-MNOVXSKESA-N 0 3 262.357 1.161 20 10 CDCDHN Nc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1 ZINC001352786834 967479949 /nfs/dbraw/zinc/47/99/49/967479949.db2.gz AZHSJXBYHVOJAE-AWEZNQCLSA-N 0 3 262.353 1.996 20 10 CDCDHN Oc1ccccc1CNC(=S)NCCN1CCCCC1 ZINC001200437883 968206210 /nfs/dbraw/zinc/20/62/10/968206210.db2.gz LOXUUHPBTXJCFQ-UHFFFAOYSA-N 0 3 293.436 1.842 20 10 CDCDHN C[C@@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C[NH2+]1 ZINC001576667183 1171482913 /nfs/dbraw/zinc/48/29/13/1171482913.db2.gz SGWFAJCIIRVONS-NXEZZACHSA-N 0 3 281.331 1.471 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1 ZINC000178866766 342532844 /nfs/dbraw/zinc/53/28/44/342532844.db2.gz FWRLNXAGBWFDNW-RISCZKNCSA-N 0 3 273.380 1.553 20 10 CDCDHN COc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1[O-] ZINC000112017123 365853481 /nfs/dbraw/zinc/85/34/81/365853481.db2.gz BULRVYMODPBUMX-UHFFFAOYSA-N 0 3 278.352 1.549 20 10 CDCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCN(C)C1 ZINC000181122402 357315608 /nfs/dbraw/zinc/31/56/08/357315608.db2.gz JWPWXBSAJBIDKK-CFNZNRNTSA-N 0 3 290.363 1.664 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CNCCO2)c(Cl)c1 ZINC001579638282 1172231161 /nfs/dbraw/zinc/23/11/61/1172231161.db2.gz UQYSVAZMGOPOKJ-AWEZNQCLSA-N 0 3 284.787 1.822 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@](C)(O)C2)cc1F ZINC000271235209 364977408 /nfs/dbraw/zinc/97/74/08/364977408.db2.gz WJGZXJZHPRNOIE-CQSZACIVSA-N 0 3 252.333 1.848 20 10 CDCDHN C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000181232838 365025310 /nfs/dbraw/zinc/02/53/10/365025310.db2.gz XBVPJJFVPGTFNO-JTQLQIEISA-N 0 3 282.315 1.041 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272584324 365306126 /nfs/dbraw/zinc/30/61/26/365306126.db2.gz YQWHEKXWSYLHRK-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272584324 365306129 /nfs/dbraw/zinc/30/61/29/365306129.db2.gz YQWHEKXWSYLHRK-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1C ZINC000273578089 365508728 /nfs/dbraw/zinc/50/87/28/365508728.db2.gz MDVGDMLHNYJAIR-NEPJUHHUSA-N 0 3 262.353 1.890 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282187916 367764300 /nfs/dbraw/zinc/76/43/00/367764300.db2.gz BSTZMOAITPELCO-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000248647326 296180645 /nfs/dbraw/zinc/18/06/45/296180645.db2.gz IHIJWOLEYFPOIR-TZMCWYRMSA-N 0 3 265.353 1.754 20 10 CDCDHN C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000248647326 296180647 /nfs/dbraw/zinc/18/06/47/296180647.db2.gz IHIJWOLEYFPOIR-TZMCWYRMSA-N 0 3 265.353 1.754 20 10 CDCDHN Cc1cc(CN2CCOC[C@@H](O)C2)ccc1N(C)C ZINC000295620651 391057752 /nfs/dbraw/zinc/05/77/52/391057752.db2.gz OJODHZTZZNLHIL-AWEZNQCLSA-N 0 3 264.369 1.254 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000183628455 391267563 /nfs/dbraw/zinc/26/75/63/391267563.db2.gz OFLQCWSQNIABOP-NWDGAFQWSA-N 0 3 298.408 1.324 20 10 CDCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN(C)C ZINC000350069718 391594019 /nfs/dbraw/zinc/59/40/19/391594019.db2.gz GHTAKYDVTYGXSP-UHFFFAOYSA-N 0 3 288.395 1.848 20 10 CDCDHN COCCOCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020192987 171059029 /nfs/dbraw/zinc/05/90/29/171059029.db2.gz IRYIJDGCYRDPBU-UHFFFAOYSA-N 0 3 269.341 1.544 20 10 CDCDHN CN(C(=O)Cc1ccc(N)cc1)C1CCN(C)CC1 ZINC000022168297 171366762 /nfs/dbraw/zinc/36/67/62/171366762.db2.gz ILRWEMZLMRPVQT-UHFFFAOYSA-N 0 3 261.369 1.364 20 10 CDCDHN COc1ccc(CNCCCS(C)(=O)=O)cc1C ZINC000038047716 174057929 /nfs/dbraw/zinc/05/79/29/174057929.db2.gz ZUBYUXVCHFHBDW-UHFFFAOYSA-N 0 3 271.382 1.528 20 10 CDCDHN CNC(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000037207291 260074359 /nfs/dbraw/zinc/07/43/59/260074359.db2.gz ZSAOOVQGPSVSAK-UHFFFAOYSA-N 0 3 261.369 1.513 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c([O-])c1 ZINC000186511341 262096209 /nfs/dbraw/zinc/09/62/09/262096209.db2.gz ASPVHCNDMYXJSC-NSHDSACASA-N 0 3 288.351 1.504 20 10 CDCDHN Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)c([O-])c1O ZINC000272550381 263006494 /nfs/dbraw/zinc/00/64/94/263006494.db2.gz AUPFIJMSFJWYMZ-SNVBAGLBSA-N 0 3 266.341 1.476 20 10 CDCDHN Oc1cc2c(cc1CN1CC([C@@H]3CCOC3)C1)OCO2 ZINC000376020850 267931390 /nfs/dbraw/zinc/93/13/90/267931390.db2.gz HZFOVRUIWDAXNK-SNVBAGLBSA-N 0 3 277.320 1.589 20 10 CDCDHN O=C1NCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584387 329261587 /nfs/dbraw/zinc/26/15/87/329261587.db2.gz DVLROQNUOGMVHB-NSHDSACASA-N 0 3 252.289 1.290 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000187986608 329364435 /nfs/dbraw/zinc/36/44/35/329364435.db2.gz QEHRNRVTVRUSCJ-PWSUYJOCSA-N 0 3 251.326 1.651 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([O-])c1O ZINC000271324416 482834667 /nfs/dbraw/zinc/83/46/67/482834667.db2.gz YBUXKGJDRPLKHW-CHWSQXEVSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([O-])c1O ZINC000271324416 482834672 /nfs/dbraw/zinc/83/46/72/482834672.db2.gz YBUXKGJDRPLKHW-CHWSQXEVSA-N 0 3 290.363 1.763 20 10 CDCDHN CCOCc1cc(CN[C@H]2CC(=O)N(C)C2)ccc1OC ZINC000263789272 520184978 /nfs/dbraw/zinc/18/49/78/520184978.db2.gz XMTNDIBJDSGRIV-AWEZNQCLSA-N 0 3 292.379 1.552 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)C)c1 ZINC000191734238 521155061 /nfs/dbraw/zinc/15/50/61/521155061.db2.gz NDTLDQUZTMUCJW-JTQLQIEISA-N 0 3 266.341 1.357 20 10 CDCDHN CCCN(CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000069009936 521535146 /nfs/dbraw/zinc/53/51/46/521535146.db2.gz IJOKYJLSPRHODV-UHFFFAOYSA-N 0 3 291.351 1.156 20 10 CDCDHN CCCN(CC(=O)NCCCOC)Cc1ccccc1O ZINC000076074352 521548686 /nfs/dbraw/zinc/54/86/86/521548686.db2.gz ATUHWIKXZIPBNN-UHFFFAOYSA-N 0 3 294.395 1.757 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C(C)(C)C)cc1OC ZINC000278736039 522781109 /nfs/dbraw/zinc/78/11/09/522781109.db2.gz QULFUZNQMKJGQQ-AWEZNQCLSA-N 0 3 283.368 1.906 20 10 CDCDHN COCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000044658344 523174472 /nfs/dbraw/zinc/17/44/72/523174472.db2.gz PZLFSVRYRSIHMW-UHFFFAOYSA-N 0 3 253.298 1.637 20 10 CDCDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880276 523968345 /nfs/dbraw/zinc/96/83/45/523968345.db2.gz FHTSLVNVUFITAI-JTQLQIEISA-N 0 3 294.351 1.515 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000093899019 524093480 /nfs/dbraw/zinc/09/34/80/524093480.db2.gz YDXALPJZYHLQJO-GFCCVEGCSA-N 0 3 264.369 1.823 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000093899019 524093484 /nfs/dbraw/zinc/09/34/84/524093484.db2.gz YDXALPJZYHLQJO-GFCCVEGCSA-N 0 3 264.369 1.823 20 10 CDCDHN Cc1cc(O)c(CNCC2(S(C)(=O)=O)CC2)cc1C ZINC000279618815 525322910 /nfs/dbraw/zinc/32/29/10/525322910.db2.gz ANCLENXOANTEPC-UHFFFAOYSA-N 0 3 283.393 1.676 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000292908919 525348710 /nfs/dbraw/zinc/34/87/10/525348710.db2.gz HEJNQFIYTZUSHV-UHFFFAOYSA-N 0 3 260.341 1.552 20 10 CDCDHN COc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1O ZINC000128082955 525947355 /nfs/dbraw/zinc/94/73/55/525947355.db2.gz GFIKYPMASIBFHZ-ZDUSSCGKSA-N 0 3 280.368 1.163 20 10 CDCDHN COc1cccc(CN2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276857536 525951056 /nfs/dbraw/zinc/95/10/56/525951056.db2.gz WEUZTRZVPJEKGU-ZDUSSCGKSA-N 0 3 290.363 1.598 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCc1nccs1)OCO2 ZINC000060942186 526336425 /nfs/dbraw/zinc/33/64/25/526336425.db2.gz XEXOZWHFVZUIAE-UHFFFAOYSA-N 0 3 278.333 1.910 20 10 CDCDHN COCC1(NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000771843448 575626099 /nfs/dbraw/zinc/62/60/99/575626099.db2.gz PYILXOGYOWHYOE-UHFFFAOYSA-N 0 3 289.423 1.707 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000764680140 575933614 /nfs/dbraw/zinc/93/36/14/575933614.db2.gz ZEUZGSPVEGNQEQ-OAHLLOKOSA-N 0 3 279.380 1.968 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c([O-])c1 ZINC000765268351 576003174 /nfs/dbraw/zinc/00/31/74/576003174.db2.gz VYOYCHBJHISEQT-ZDUSSCGKSA-N 0 3 299.392 1.458 20 10 CDCDHN C[N@H+](CCOCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462623 576287342 /nfs/dbraw/zinc/28/73/42/576287342.db2.gz AOTGTMJUKFQYRI-OAHLLOKOSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@@H+](CCOCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462623 576287344 /nfs/dbraw/zinc/28/73/44/576287344.db2.gz AOTGTMJUKFQYRI-OAHLLOKOSA-N 0 3 293.363 1.676 20 10 CDCDHN C[C@H]1COCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465948 576288005 /nfs/dbraw/zinc/28/80/05/576288005.db2.gz UEPULPRSCUDMFS-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@H]1COCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465948 576288006 /nfs/dbraw/zinc/28/80/06/576288006.db2.gz UEPULPRSCUDMFS-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN COc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1[O-] ZINC000769469157 576356926 /nfs/dbraw/zinc/35/69/26/576356926.db2.gz TZLHURJMYIVJNS-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC2(O)CCC2)cc1OC ZINC000761218315 576560814 /nfs/dbraw/zinc/56/08/14/576560814.db2.gz AJQZKWVHHFSETC-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC2(O)CCC2)cc1OC ZINC000761218315 576560816 /nfs/dbraw/zinc/56/08/16/576560816.db2.gz AJQZKWVHHFSETC-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN Cc1cc(O)c(CN[C@H]2CCCN(C)C2=O)cc1C ZINC000748242544 576902825 /nfs/dbraw/zinc/90/28/25/576902825.db2.gz PBTRYYWIRTTZIK-ZDUSSCGKSA-N 0 3 262.353 1.719 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C)C2=O)cc1C ZINC000748242544 576902826 /nfs/dbraw/zinc/90/28/26/576902826.db2.gz PBTRYYWIRTTZIK-ZDUSSCGKSA-N 0 3 262.353 1.719 20 10 CDCDHN COc1cccc(CN2CCC3(COC(=O)N3)CC2)c1O ZINC000753587870 577178454 /nfs/dbraw/zinc/17/84/54/577178454.db2.gz WQMLBWUAQBPJHY-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN CNC(=O)[C@H]1CCCN1Cc1cc(C)cc(OC)c1O ZINC000893966609 618227272 /nfs/dbraw/zinc/22/72/72/618227272.db2.gz QVKPKBXYVOQSKI-GFCCVEGCSA-N 0 3 278.352 1.420 20 10 CDCDHN COc1ccc(O)c(CN[C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000877693630 618701519 /nfs/dbraw/zinc/70/15/19/618701519.db2.gz MKNNOIYURWYVOO-HQJQHLMTSA-N 0 3 279.258 1.802 20 10 CDCDHN CC[N@H+](CCC(=O)NC)Cc1c(C)cccc1[O-] ZINC000897709360 621082273 /nfs/dbraw/zinc/08/22/73/621082273.db2.gz NWNVZCDBFXFZTH-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CC[N@@H+](CCC(=O)NC)Cc1c(C)cccc1[O-] ZINC000897709360 621082276 /nfs/dbraw/zinc/08/22/76/621082276.db2.gz NWNVZCDBFXFZTH-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CC[C@H](C)C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000911783039 629500336 /nfs/dbraw/zinc/50/03/36/629500336.db2.gz OYVKMDNEEZLCQI-SMDDNHRTSA-N 0 3 263.385 1.691 20 10 CDCDHN CN(Cc1ccccc1O)C(=S)NC1CCN(C)CC1 ZINC000920310421 632750739 /nfs/dbraw/zinc/75/07/39/632750739.db2.gz FVNLNXVMWXRFIB-UHFFFAOYSA-N 0 3 293.436 1.793 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000250067182 1158801562 /nfs/dbraw/zinc/80/15/62/1158801562.db2.gz NPCMFAJIIIHOTE-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000250067182 1158801575 /nfs/dbraw/zinc/80/15/75/1158801575.db2.gz NPCMFAJIIIHOTE-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000228414073 1165587282 /nfs/dbraw/zinc/58/72/82/1165587282.db2.gz VHJHSCLMAJMLPT-GFCCVEGCSA-N 0 3 253.342 1.658 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001320915270 1166646252 /nfs/dbraw/zinc/64/62/52/1166646252.db2.gz CVZSHHJVIUCLNF-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001320915270 1166646257 /nfs/dbraw/zinc/64/62/57/1166646257.db2.gz CVZSHHJVIUCLNF-OAHLLOKOSA-N 0 3 263.337 1.748 20 10 CDCDHN CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509168 1165858478 /nfs/dbraw/zinc/85/84/78/1165858478.db2.gz BEAITXCNICUSON-UHFFFAOYSA-N 0 3 289.423 1.395 20 10 CDCDHN C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126352772 1165977836 /nfs/dbraw/zinc/97/78/36/1165977836.db2.gz LMNDCWGFJQLEMB-JTQLQIEISA-N 0 3 264.325 1.169 20 10 CDCDHN C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126352772 1165977840 /nfs/dbraw/zinc/97/78/40/1165977840.db2.gz LMNDCWGFJQLEMB-JTQLQIEISA-N 0 3 264.325 1.169 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877474572 1166044887 /nfs/dbraw/zinc/04/48/87/1166044887.db2.gz BHNWJCHZKJBNGG-CQSZACIVSA-N 0 3 283.368 1.204 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccccc1[O-] ZINC000879648620 1166392410 /nfs/dbraw/zinc/39/24/10/1166392410.db2.gz WOHUFMUJIDUHGN-LLVKDONJSA-N 0 3 262.353 1.911 20 10 CDCDHN COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648702 796800442 /nfs/dbraw/zinc/80/04/42/796800442.db2.gz ZRROAXMMZGCSMF-LLVKDONJSA-N 0 3 294.351 1.064 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)c(O)co2)c1 ZINC000775369939 797018312 /nfs/dbraw/zinc/01/83/12/797018312.db2.gz JFOIXPLVRNNIRX-VIFPVBQESA-N 0 3 291.303 1.910 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000877489021 797042923 /nfs/dbraw/zinc/04/29/23/797042923.db2.gz JPMCHYNYLPWVFS-RISCZKNCSA-N 0 3 251.326 1.330 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000220220154 797659463 /nfs/dbraw/zinc/65/94/63/797659463.db2.gz PPLJFYMCVZVDHQ-PHIMTYICSA-N 0 3 297.196 1.806 20 10 CDCDHN COc1ccc(CN[C@@H]2CCCCNC2=O)cc1C ZINC000037282812 797869158 /nfs/dbraw/zinc/86/91/58/797869158.db2.gz WTGWLBOGOSCAEG-CYBMUJFWSA-N 0 3 262.353 1.762 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000795581236 797874336 /nfs/dbraw/zinc/87/43/36/797874336.db2.gz GSIKJWVKZDNSRI-KBPBESRZSA-N 0 3 295.379 1.526 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1[O-] ZINC000843378045 797984246 /nfs/dbraw/zinc/98/42/46/797984246.db2.gz YGVLLOKNUTYAEP-ZJUUUORDSA-N 0 3 280.343 1.916 20 10 CDCDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000313344135 900382088 /nfs/dbraw/zinc/38/20/88/900382088.db2.gz CJMLQTXLUHNSQQ-GFCCVEGCSA-N 0 3 270.760 1.595 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000322670499 908992691 /nfs/dbraw/zinc/99/26/91/908992691.db2.gz FRFMXVWCRQPXLR-MNOVXSKESA-N 0 3 250.342 1.876 20 10 CDCDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2c([O-])cccc2Cl)C1 ZINC001206422190 916372519 /nfs/dbraw/zinc/37/25/19/916372519.db2.gz CPIZFODHJOMAKD-BDAKNGLRSA-N 0 3 258.724 1.917 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@]1(C)O ZINC001204275716 916505207 /nfs/dbraw/zinc/50/52/07/916505207.db2.gz AAGLTAIDMOBYCJ-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@]1(C)O ZINC001204275716 916505222 /nfs/dbraw/zinc/50/52/22/916505222.db2.gz AAGLTAIDMOBYCJ-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN Oc1ccccc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827119120 936491273 /nfs/dbraw/zinc/49/12/73/936491273.db2.gz IJMCOAAIANOLKE-AWEZNQCLSA-N 0 3 262.353 1.299 20 10 CDCDHN COc1cccc(CN2CC[C@@H](F)[C@H](O)C2)c1O ZINC001203586115 919063268 /nfs/dbraw/zinc/06/32/68/919063268.db2.gz YOIRGMUNUHLQDX-GHMZBOCLSA-N 0 3 255.289 1.306 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001203550264 919304040 /nfs/dbraw/zinc/30/40/40/919304040.db2.gz OTGYWTOHPMITIO-MNOVXSKESA-N 0 3 275.270 1.995 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001203550264 919304049 /nfs/dbraw/zinc/30/40/49/919304049.db2.gz OTGYWTOHPMITIO-MNOVXSKESA-N 0 3 275.270 1.995 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCCN(C=O)CC1 ZINC000827867040 936611278 /nfs/dbraw/zinc/61/12/78/936611278.db2.gz APVLMRMRLGLETL-UHFFFAOYSA-N 0 3 275.396 1.725 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@]3(CCCN3C)C2=O)cc1 ZINC001273526508 920157233 /nfs/dbraw/zinc/15/72/33/920157233.db2.gz GWOHQSYREJZRON-KRWDZBQOSA-N 0 3 287.407 1.949 20 10 CDCDHN COCC(COC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000388504411 936643322 /nfs/dbraw/zinc/64/33/22/936643322.db2.gz NRFSNDHJRJYJRO-VIFPVBQESA-N 0 3 257.305 1.843 20 10 CDCDHN CCOC(=O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055083 936673595 /nfs/dbraw/zinc/67/35/95/936673595.db2.gz HPVBVTKDDVJZNB-UHFFFAOYSA-N 0 3 255.289 1.916 20 10 CDCDHN CCOC(=O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055083 936673596 /nfs/dbraw/zinc/67/35/96/936673596.db2.gz HPVBVTKDDVJZNB-UHFFFAOYSA-N 0 3 255.289 1.916 20 10 CDCDHN CC(C)(C)c1cccc(CN2CCOC[C@H](O)C2)c1O ZINC001143103817 937120833 /nfs/dbraw/zinc/12/08/33/937120833.db2.gz KWLKMYHJDQEIOE-CYBMUJFWSA-N 0 3 279.380 1.883 20 10 CDCDHN CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843483815 937155297 /nfs/dbraw/zinc/15/52/97/937155297.db2.gz FKXRDXSPSAKPJB-KBPBESRZSA-N 0 3 292.379 1.637 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857061086 928658468 /nfs/dbraw/zinc/65/84/68/928658468.db2.gz JMZVIMAIWYSTDM-AAEUAGOBSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857061086 928658474 /nfs/dbraw/zinc/65/84/74/928658474.db2.gz JMZVIMAIWYSTDM-AAEUAGOBSA-N 0 3 265.353 1.851 20 10 CDCDHN Cc1cc(CN[C@H]2C(=O)NCC[C@H]2C)ccc1N(C)C ZINC000815106861 929946691 /nfs/dbraw/zinc/94/66/91/929946691.db2.gz BVXPWFLMJQGWAY-IAQYHMDHSA-N 0 3 275.396 1.675 20 10 CDCDHN NC(=O)CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000817585241 930556185 /nfs/dbraw/zinc/55/61/85/930556185.db2.gz DGPBWORCJXMAHP-NSHDSACASA-N 0 3 260.337 1.625 20 10 CDCDHN C[C@H]([NH2+]C1CNC1)c1cc(Br)cc(F)c1[O-] ZINC000817956386 930645255 /nfs/dbraw/zinc/64/52/55/930645255.db2.gz XVXHOKSFNVTYES-LURJTMIESA-N 0 3 289.148 1.916 20 10 CDCDHN CCN1C[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000846209717 931988029 /nfs/dbraw/zinc/98/80/29/931988029.db2.gz SMKXFTCBTJBBKZ-RYUDHWBXSA-N 0 3 262.353 1.911 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000686591897 934178001 /nfs/dbraw/zinc/17/80/01/934178001.db2.gz CPIAJXLUGVXQAU-OCCSQVGLSA-N 0 3 251.326 1.676 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000083514555 934747994 /nfs/dbraw/zinc/74/79/94/934747994.db2.gz XJEXZIKALTVOIE-NSHDSACASA-N 0 3 269.366 1.225 20 10 CDCDHN NCc1ccc2c(n1)N(c1cc3c(cn1)NC(=O)C3)CCC2 ZINC001158650163 938646256 /nfs/dbraw/zinc/64/62/56/938646256.db2.gz WUGMIKZUQMIKRC-UHFFFAOYSA-N 0 3 295.346 1.514 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203562928 939693165 /nfs/dbraw/zinc/69/31/65/939693165.db2.gz PLWNFWQAOONSHH-TZMCWYRMSA-N 0 3 274.364 1.835 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203562928 939693166 /nfs/dbraw/zinc/69/31/66/939693166.db2.gz PLWNFWQAOONSHH-TZMCWYRMSA-N 0 3 274.364 1.835 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001203620634 939696639 /nfs/dbraw/zinc/69/66/39/939696639.db2.gz GQXGNBIEGLIFJV-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001203620634 939696640 /nfs/dbraw/zinc/69/66/40/939696640.db2.gz GQXGNBIEGLIFJV-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(O)c(O)c1 ZINC001203874979 939710544 /nfs/dbraw/zinc/71/05/44/939710544.db2.gz GFZHPNDHSDWSTN-ZYHUDNBSSA-N 0 3 251.326 1.691 20 10 CDCDHN [NH3+][C@H](CC(=O)NCCCCCO)c1ccccc1[O-] ZINC001221283555 941511039 /nfs/dbraw/zinc/51/10/39/941511039.db2.gz UFNYDENGTDYECV-GFCCVEGCSA-N 0 3 266.341 1.061 20 10 CDCDHN COc1cc(CN2CCC[C@H](C(C)=O)C2)c(O)cc1O ZINC001231637340 942954245 /nfs/dbraw/zinc/95/42/45/942954245.db2.gz JLWDDXPEHRWZED-NSHDSACASA-N 0 3 279.336 1.907 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233482992 943591513 /nfs/dbraw/zinc/59/15/13/943591513.db2.gz KEBSBWJGHIOOPV-SECBINFHSA-N 0 3 253.298 1.414 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072817 944041994 /nfs/dbraw/zinc/04/19/94/944041994.db2.gz MULWOMLZJULQCM-VXGBXAGGSA-N 0 3 252.745 1.982 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237046632 944646773 /nfs/dbraw/zinc/64/67/73/944646773.db2.gz UFZNGNLUSNZHNP-ZBFHGGJFSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237046632 944646776 /nfs/dbraw/zinc/64/67/76/944646776.db2.gz UFZNGNLUSNZHNP-ZBFHGGJFSA-N 0 3 279.380 1.691 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@H](F)C[C@H](CO)C1 ZINC001237485436 944810243 /nfs/dbraw/zinc/81/02/43/944810243.db2.gz PDQPXXMRJPPWQN-NWDGAFQWSA-N 0 3 253.317 1.853 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](F)[C@H](O)C2)c1O ZINC001238057167 945041866 /nfs/dbraw/zinc/04/18/66/945041866.db2.gz JDGGNEUNNLFSLS-NWDGAFQWSA-N 0 3 257.280 1.744 20 10 CDCDHN Cc1cc(F)cc(C[NH+]2CCC(C)(C(N)=O)CC2)c1[O-] ZINC001238061929 945045792 /nfs/dbraw/zinc/04/57/92/945045792.db2.gz LSVSVIMEQXHGKM-UHFFFAOYSA-N 0 3 280.343 1.927 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238069336 945052681 /nfs/dbraw/zinc/05/26/81/945052681.db2.gz YEHWKZPWOFRALO-CYBMUJFWSA-N 0 3 266.316 1.550 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848565618 969177058 /nfs/dbraw/zinc/17/70/58/969177058.db2.gz YQANBCYRUVYYSU-WDEREUQCSA-N 0 3 272.352 1.729 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135533 282290782 /nfs/dbraw/zinc/29/07/82/282290782.db2.gz DITLMUNHQLVVQO-ZDUSSCGKSA-N 0 3 282.409 1.419 20 10 CDCDHN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C1CC1 ZINC000181029796 357304862 /nfs/dbraw/zinc/30/48/62/357304862.db2.gz YSDMKGYLYUXTBF-VUQUXZKVSA-N 0 3 290.363 1.710 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000188747249 357933429 /nfs/dbraw/zinc/93/34/29/357933429.db2.gz IHXUCYMHJGJQSH-AWEZNQCLSA-N 0 3 292.423 1.978 20 10 CDCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235743374 361168114 /nfs/dbraw/zinc/16/81/14/361168114.db2.gz HQOGSXGXQHOMQC-ZDUSSCGKSA-N 0 3 252.289 1.229 20 10 CDCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235743374 361168116 /nfs/dbraw/zinc/16/81/16/361168116.db2.gz HQOGSXGXQHOMQC-ZDUSSCGKSA-N 0 3 252.289 1.229 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000179023422 364976557 /nfs/dbraw/zinc/97/65/57/364976557.db2.gz JNYAJMKUSVLNNW-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN CCCOc1ccc(CN2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000271395372 364981729 /nfs/dbraw/zinc/98/17/29/364981729.db2.gz USGXIQQEMQVBPJ-GFCCVEGCSA-N 0 3 293.367 1.424 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000179887394 364998878 /nfs/dbraw/zinc/99/88/78/364998878.db2.gz MZMOOEWVPCBUKZ-MRVPVSSYSA-N 0 3 276.258 1.721 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000271834832 365001022 /nfs/dbraw/zinc/00/10/22/365001022.db2.gz FQHVAEWRDSWTSP-UHFFFAOYSA-N 0 3 297.351 1.041 20 10 CDCDHN CCN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638132994 368533632 /nfs/dbraw/zinc/53/36/32/368533632.db2.gz POLAPTCNQBSWAL-NSHDSACASA-N 0 3 277.368 1.476 20 10 CDCDHN Cc1ccc([C@@H](C)NCc2cnnn2C)c(O)c1C ZINC000287133945 369097636 /nfs/dbraw/zinc/09/76/36/369097636.db2.gz AHJHJKJCKYIYLQ-LLVKDONJSA-N 0 3 260.341 1.988 20 10 CDCDHN COCCN(C)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295959925 371537545 /nfs/dbraw/zinc/53/75/45/371537545.db2.gz LYTBPOHNUDVQEQ-CQSZACIVSA-N 0 3 278.396 1.937 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297933705 372038194 /nfs/dbraw/zinc/03/81/94/372038194.db2.gz XTNNISBDQUVVSW-UONOGXRCSA-N 0 3 276.380 1.690 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000092764408 390896652 /nfs/dbraw/zinc/89/66/52/390896652.db2.gz OCQFVQXARGAINP-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000092764408 390896653 /nfs/dbraw/zinc/89/66/53/390896653.db2.gz OCQFVQXARGAINP-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(O)c(CN(CCO)CCOC)c1 ZINC000093006133 390898886 /nfs/dbraw/zinc/89/88/86/390898886.db2.gz RXVUHWKDYZTOGX-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093361175 390901915 /nfs/dbraw/zinc/90/19/15/390901915.db2.gz NZNRXDVFWFHBNM-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093361175 390901917 /nfs/dbraw/zinc/90/19/17/390901917.db2.gz NZNRXDVFWFHBNM-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000373739385 391130158 /nfs/dbraw/zinc/13/01/58/391130158.db2.gz XFYHGNGIIRHNGN-WHOFXGATSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000373739385 391130160 /nfs/dbraw/zinc/13/01/60/391130160.db2.gz XFYHGNGIIRHNGN-WHOFXGATSA-N 0 3 274.364 1.786 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183245348 391257633 /nfs/dbraw/zinc/25/76/33/391257633.db2.gz RXJYQMNLQGMWDE-SECBINFHSA-N 0 3 252.289 1.229 20 10 CDCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183245348 391257635 /nfs/dbraw/zinc/25/76/35/391257635.db2.gz RXJYQMNLQGMWDE-SECBINFHSA-N 0 3 252.289 1.229 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179570757 391211859 /nfs/dbraw/zinc/21/18/59/391211859.db2.gz LTMQTICRYRTMTF-CYBMUJFWSA-N 0 3 258.325 1.821 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179570757 391211862 /nfs/dbraw/zinc/21/18/62/391211862.db2.gz LTMQTICRYRTMTF-CYBMUJFWSA-N 0 3 258.325 1.821 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@H](CO)C2)cc1OC ZINC000183371075 391263626 /nfs/dbraw/zinc/26/36/26/391263626.db2.gz FLQLVUVKFIQDJO-NSHDSACASA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000183371075 391263629 /nfs/dbraw/zinc/26/36/29/391263629.db2.gz FLQLVUVKFIQDJO-NSHDSACASA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CO)C2)cc1OC ZINC000183371075 391263632 /nfs/dbraw/zinc/26/36/32/391263632.db2.gz FLQLVUVKFIQDJO-NSHDSACASA-N 0 3 281.352 1.614 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289803330 391618646 /nfs/dbraw/zinc/61/86/46/391618646.db2.gz SMZBJAYMUGCREN-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289803330 391618647 /nfs/dbraw/zinc/61/86/47/391618647.db2.gz SMZBJAYMUGCREN-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289188856 391611737 /nfs/dbraw/zinc/61/17/37/391611737.db2.gz ASOJEGYAZSTOGB-DZGCQCFKSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289188856 391611740 /nfs/dbraw/zinc/61/17/40/391611740.db2.gz ASOJEGYAZSTOGB-DZGCQCFKSA-N 0 3 276.380 1.687 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CO)C1)OCO2 ZINC000154573788 261092778 /nfs/dbraw/zinc/09/27/78/261092778.db2.gz UIJNPTSTSYGWGZ-SNVBAGLBSA-N 0 3 265.309 1.325 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CO)C1)OCO2 ZINC000154573788 261092780 /nfs/dbraw/zinc/09/27/80/261092780.db2.gz UIJNPTSTSYGWGZ-SNVBAGLBSA-N 0 3 265.309 1.325 20 10 CDCDHN OC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000154573788 261092782 /nfs/dbraw/zinc/09/27/82/261092782.db2.gz UIJNPTSTSYGWGZ-SNVBAGLBSA-N 0 3 265.309 1.325 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417736 261101569 /nfs/dbraw/zinc/10/15/69/261101569.db2.gz NASYNRVELQKRSA-JQWIXIFHSA-N 0 3 279.336 1.856 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417736 261101571 /nfs/dbraw/zinc/10/15/71/261101571.db2.gz NASYNRVELQKRSA-JQWIXIFHSA-N 0 3 279.336 1.856 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185392770 262052723 /nfs/dbraw/zinc/05/27/23/262052723.db2.gz XWEAXLYSKRWABD-CABCVRRESA-N 0 3 291.439 1.987 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC2(C)OCCO2)c1 ZINC000186211700 262084393 /nfs/dbraw/zinc/08/43/93/262084393.db2.gz XSIPPWRIAQPBAA-SNVBAGLBSA-N 0 3 267.325 1.814 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211700 262084394 /nfs/dbraw/zinc/08/43/94/262084394.db2.gz XSIPPWRIAQPBAA-SNVBAGLBSA-N 0 3 267.325 1.814 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c([O-])c1 ZINC000184921247 262300102 /nfs/dbraw/zinc/30/01/02/262300102.db2.gz OHHHHZNMPRMZOD-NSHDSACASA-N 0 3 286.397 1.291 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](CN)OC ZINC000290053505 263114373 /nfs/dbraw/zinc/11/43/73/263114373.db2.gz UEHGLHIJPNZTON-ZDUSSCGKSA-N 0 3 266.341 1.105 20 10 CDCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCN(C)CC1 ZINC000297933953 279350902 /nfs/dbraw/zinc/35/09/02/279350902.db2.gz XVAWBPZJBLATDO-UKRRQHHQSA-N 0 3 289.423 1.605 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(F)ccc1[O-] ZINC000530226676 328718342 /nfs/dbraw/zinc/71/83/42/328718342.db2.gz PTXZDPBLSVSORU-KOLCDFICSA-N 0 3 254.305 1.170 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000217858297 330482859 /nfs/dbraw/zinc/48/28/59/330482859.db2.gz WQYMNGBCINJMAY-ZDUSSCGKSA-N 0 3 285.365 1.325 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000227440395 333282896 /nfs/dbraw/zinc/28/28/96/333282896.db2.gz IZVPVKSOGGRFCB-CYBMUJFWSA-N 0 3 264.369 1.975 20 10 CDCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000273575690 334767351 /nfs/dbraw/zinc/76/73/51/334767351.db2.gz LTBFPRWHQJXCGX-NSHDSACASA-N 0 3 282.359 1.639 20 10 CDCDHN CCOCC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000277820495 520066143 /nfs/dbraw/zinc/06/61/43/520066143.db2.gz VOAAHRLDJZSJGP-ZDUSSCGKSA-N 0 3 253.342 1.612 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N(C)C2)c1 ZINC000263789234 521153569 /nfs/dbraw/zinc/15/35/69/521153569.db2.gz XKDKFQKNSAIRPD-LLVKDONJSA-N 0 3 264.325 1.111 20 10 CDCDHN CCOCC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000277820495 520066134 /nfs/dbraw/zinc/06/61/34/520066134.db2.gz VOAAHRLDJZSJGP-ZDUSSCGKSA-N 0 3 253.342 1.612 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](CN)OC)cc1 ZINC000290016100 520900893 /nfs/dbraw/zinc/90/08/93/520900893.db2.gz QQJIBXOGQLRLCZ-CQSZACIVSA-N 0 3 279.384 1.123 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCN(CCOC)C2)c1 ZINC000264630506 521154192 /nfs/dbraw/zinc/15/41/92/521154192.db2.gz TZYWFVOTJJXCSB-CQSZACIVSA-N 0 3 294.395 1.601 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O ZINC000372370114 521345654 /nfs/dbraw/zinc/34/56/54/521345654.db2.gz SBJQVGICNYKQAU-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CCN1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000042880335 521580889 /nfs/dbraw/zinc/58/08/89/521580889.db2.gz OIRQWUDLTFELLE-UHFFFAOYSA-N 0 3 278.352 1.695 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000292944599 521744366 /nfs/dbraw/zinc/74/43/66/521744366.db2.gz KBXUXVKWZOUPFR-ZDUSSCGKSA-N 0 3 250.342 1.643 20 10 CDCDHN COC[C@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000045658157 522579868 /nfs/dbraw/zinc/57/98/68/522579868.db2.gz NKCQJZXHDKZLJK-SECBINFHSA-N 0 3 253.298 1.493 20 10 CDCDHN CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1[O-] ZINC000289612152 522590910 /nfs/dbraw/zinc/59/09/10/522590910.db2.gz DCYNGZSAAZHRBL-AWEZNQCLSA-N 0 3 290.367 1.607 20 10 CDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000298384887 524075477 /nfs/dbraw/zinc/07/54/77/524075477.db2.gz DRXFAPHETLFYMX-CYBMUJFWSA-N 0 3 275.396 1.901 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000158028620 524406836 /nfs/dbraw/zinc/40/68/36/524406836.db2.gz BSJOSJSVJMNEJU-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000158028620 524406846 /nfs/dbraw/zinc/40/68/46/524406846.db2.gz BSJOSJSVJMNEJU-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000291674820 524487705 /nfs/dbraw/zinc/48/77/05/524487705.db2.gz GYDRQXRMRLHCNP-SNVBAGLBSA-N 0 3 267.329 1.588 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800646 525348761 /nfs/dbraw/zinc/34/87/61/525348761.db2.gz SKOHVERWFZRSOO-CQSZACIVSA-N 0 3 263.385 1.036 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccccc1[O-] ZINC000228062507 525403346 /nfs/dbraw/zinc/40/33/46/525403346.db2.gz SIVNUPWJHPUDTH-WDMOLILDSA-N 0 3 251.326 1.583 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)c([O-])c1 ZINC000280812555 525916078 /nfs/dbraw/zinc/91/60/78/525916078.db2.gz JJALZIHCXCBPIQ-VIFPVBQESA-N 0 3 272.295 1.733 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290187427 525951800 /nfs/dbraw/zinc/95/18/00/525951800.db2.gz OIQQRMXDPYYPTB-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290187427 525951808 /nfs/dbraw/zinc/95/18/08/525951808.db2.gz OIQQRMXDPYYPTB-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN O=C(NCc1ccccc1O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731117211 575033827 /nfs/dbraw/zinc/03/38/27/575033827.db2.gz XNBQFIHNMSXDRC-CQSZACIVSA-N 0 3 289.379 1.676 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000763480317 576739052 /nfs/dbraw/zinc/73/90/52/576739052.db2.gz LVZCPWKRTVCJLE-OAHLLOKOSA-N 0 3 281.352 1.686 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(OCCO)CC1 ZINC000769537433 575357640 /nfs/dbraw/zinc/35/76/40/575357640.db2.gz KGFIGPXIDIOJEM-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464734 576286239 /nfs/dbraw/zinc/28/62/39/576286239.db2.gz SWWZERAQXNWLFI-MFKMUULPSA-N 0 3 265.309 1.039 20 10 CDCDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464734 576286242 /nfs/dbraw/zinc/28/62/42/576286242.db2.gz SWWZERAQXNWLFI-MFKMUULPSA-N 0 3 265.309 1.039 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000768519560 576292240 /nfs/dbraw/zinc/29/22/40/576292240.db2.gz QXBRVPPHGBBUSX-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000768519560 576292241 /nfs/dbraw/zinc/29/22/41/576292241.db2.gz QXBRVPPHGBBUSX-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(CN2CCCN(C(N)=O)CC2)c(O)c1 ZINC000769224955 576338947 /nfs/dbraw/zinc/33/89/47/576338947.db2.gz FOHBYMQFTRUTJE-UHFFFAOYSA-N 0 3 293.367 1.377 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C)c2c1c(F)ccc2[O-] ZINC000756552226 576995042 /nfs/dbraw/zinc/99/50/42/576995042.db2.gz DCVTZKMJSRBXHG-SCVCMEIPSA-N 0 3 282.359 1.592 20 10 CDCDHN CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891944964 617812435 /nfs/dbraw/zinc/81/24/35/617812435.db2.gz RNNJQPJUTXYALL-CYBMUJFWSA-N 0 3 264.373 1.284 20 10 CDCDHN CCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894276142 618407206 /nfs/dbraw/zinc/40/72/06/618407206.db2.gz OXSSMCZQSSQIAH-AWEZNQCLSA-N 0 3 294.399 1.606 20 10 CDCDHN COC[C@@]1(CNCc2cccc(F)c2[O-])CCC[NH2+]1 ZINC000841067957 618680576 /nfs/dbraw/zinc/68/05/76/618680576.db2.gz RJGGLETXWGQCQE-AWEZNQCLSA-N 0 3 268.332 1.390 20 10 CDCDHN CCOCCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000897204019 620416952 /nfs/dbraw/zinc/41/69/52/620416952.db2.gz IJPIADDGLULMEV-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC000103529297 1162340055 /nfs/dbraw/zinc/34/00/55/1162340055.db2.gz NRHYRDYAQWMEMS-LLVKDONJSA-N 0 3 280.368 1.918 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690792663 1159452005 /nfs/dbraw/zinc/45/20/05/1159452005.db2.gz WJGMWHOOLWDKGB-PWSUYJOCSA-N 0 3 251.301 2.000 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690792663 1159452008 /nfs/dbraw/zinc/45/20/08/1159452008.db2.gz WJGMWHOOLWDKGB-PWSUYJOCSA-N 0 3 251.301 2.000 20 10 CDCDHN CC(C)OC[C@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000809768343 1163078148 /nfs/dbraw/zinc/07/81/48/1163078148.db2.gz IONFNQTYLLQXGU-ZDUSSCGKSA-N 0 3 253.342 1.610 20 10 CDCDHN CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000809768343 1163078156 /nfs/dbraw/zinc/07/81/56/1163078156.db2.gz IONFNQTYLLQXGU-ZDUSSCGKSA-N 0 3 253.342 1.610 20 10 CDCDHN CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000809768342 1163078562 /nfs/dbraw/zinc/07/85/62/1163078562.db2.gz IONFNQTYLLQXGU-CYBMUJFWSA-N 0 3 253.342 1.610 20 10 CDCDHN CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000809768342 1163078568 /nfs/dbraw/zinc/07/85/68/1163078568.db2.gz IONFNQTYLLQXGU-CYBMUJFWSA-N 0 3 253.342 1.610 20 10 CDCDHN COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876810479 1165920025 /nfs/dbraw/zinc/92/00/25/1165920025.db2.gz VWLZPSNJQVTEJU-HNNXBMFYSA-N 0 3 293.363 1.447 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000876913242 1165938094 /nfs/dbraw/zinc/93/80/94/1165938094.db2.gz OZTDJSJKGJBIFF-NSHDSACASA-N 0 3 269.366 1.225 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)NC(C)C ZINC000876922992 1165939277 /nfs/dbraw/zinc/93/92/77/1165939277.db2.gz OKJKKHLQTIJLOM-UHFFFAOYSA-N 0 3 250.342 1.705 20 10 CDCDHN Cc1ccc(C[NH2+]CCC(=O)NC(C)C)c([O-])c1 ZINC000876922850 1165939457 /nfs/dbraw/zinc/93/94/57/1165939457.db2.gz MVWSIJSBCGPMKJ-UHFFFAOYSA-N 0 3 250.342 1.705 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000877614655 1166066904 /nfs/dbraw/zinc/06/69/04/1166066904.db2.gz KTCFGKCLXBQCQY-OAHLLOKOSA-N 0 3 265.353 1.722 20 10 CDCDHN CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877083960 1165972002 /nfs/dbraw/zinc/97/20/02/1165972002.db2.gz CGHJWGSNJGVSNW-CYBMUJFWSA-N 0 3 277.368 1.594 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)COCC1CC1)CC2 ZINC000834552199 805029823 /nfs/dbraw/zinc/02/98/23/805029823.db2.gz XOVVRHPRTVVZHK-KBPBESRZSA-N 0 3 277.364 1.757 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000825017556 811165174 /nfs/dbraw/zinc/16/51/74/811165174.db2.gz UMZBXGBGCVUICO-HZPDHXFCSA-N 0 3 278.396 1.724 20 10 CDCDHN CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000877674637 811342306 /nfs/dbraw/zinc/34/23/06/811342306.db2.gz NXOVPUJXXIHMPL-AWEZNQCLSA-N 0 3 262.353 1.883 20 10 CDCDHN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000877674637 811342318 /nfs/dbraw/zinc/34/23/18/811342318.db2.gz NXOVPUJXXIHMPL-AWEZNQCLSA-N 0 3 262.353 1.883 20 10 CDCDHN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CN(C)C ZINC000708446186 812662408 /nfs/dbraw/zinc/66/24/08/812662408.db2.gz ZRQUDEGWOMFMRU-VIFPVBQESA-N 0 3 258.312 1.958 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929973203 813003936 /nfs/dbraw/zinc/00/39/36/813003936.db2.gz YBWUEGKAIHMRKU-DUVNUKRYSA-N 0 3 295.379 1.115 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929973203 813003949 /nfs/dbraw/zinc/00/39/49/813003949.db2.gz YBWUEGKAIHMRKU-DUVNUKRYSA-N 0 3 295.379 1.115 20 10 CDCDHN CSCC[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077711 813060142 /nfs/dbraw/zinc/06/01/42/813060142.db2.gz RUGPPKLUSRSKSA-NSHDSACASA-N 0 3 253.371 1.312 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000827119559 813189089 /nfs/dbraw/zinc/18/90/89/813189089.db2.gz NHABBVUASLFTAV-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)COCC1CC1)CC2 ZINC000834552202 813391483 /nfs/dbraw/zinc/39/14/83/813391483.db2.gz XOVVRHPRTVVZHK-ZIAGYGMSSA-N 0 3 277.364 1.757 20 10 CDCDHN Cc1cccc(CNCCS(=O)(=O)C2CC2)c1O ZINC000840965138 813409161 /nfs/dbraw/zinc/40/91/61/813409161.db2.gz ASOOZEIPXQNLQV-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN COC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000382546711 813741834 /nfs/dbraw/zinc/74/18/34/813741834.db2.gz DJRJMOHSTYOYEQ-CYBMUJFWSA-N 0 3 289.759 1.541 20 10 CDCDHN CC(C)NC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000228935076 813806864 /nfs/dbraw/zinc/80/68/64/813806864.db2.gz PLLKTTWNOPOGLO-VIFPVBQESA-N 0 3 280.324 1.124 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388504 814338970 /nfs/dbraw/zinc/33/89/70/814338970.db2.gz NFQQCEGUTYQWES-LBPRGKRZSA-N 0 3 265.353 1.899 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877345218 814532429 /nfs/dbraw/zinc/53/24/29/814532429.db2.gz YGIKGFZSVPCZMH-DZGCQCFKSA-N 0 3 265.353 1.984 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COCC(C)C ZINC000876966592 814726813 /nfs/dbraw/zinc/72/68/13/814726813.db2.gz WZDFLUAZAMJIAE-ZDUSSCGKSA-N 0 3 267.369 1.824 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCOC[C@H]1CCOC1 ZINC000877007483 817032155 /nfs/dbraw/zinc/03/21/55/817032155.db2.gz RXTRGRNLTPAPDT-ZDUSSCGKSA-N 0 3 265.353 1.843 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000809785607 817128268 /nfs/dbraw/zinc/12/82/68/817128268.db2.gz WPGOFANBQOFBDE-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000809785607 817128272 /nfs/dbraw/zinc/12/82/72/817128272.db2.gz WPGOFANBQOFBDE-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000226613322 817305447 /nfs/dbraw/zinc/30/54/47/817305447.db2.gz BGWODTYEDLWZCP-UHFFFAOYSA-N 0 3 275.345 1.444 20 10 CDCDHN O=C1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]2N1 ZINC000827141160 817376382 /nfs/dbraw/zinc/37/63/82/817376382.db2.gz PQNNGGNJTLSZJH-WCQYABFASA-N 0 3 260.337 1.493 20 10 CDCDHN O=C1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]2N1 ZINC000827141160 817376396 /nfs/dbraw/zinc/37/63/96/817376396.db2.gz PQNNGGNJTLSZJH-WCQYABFASA-N 0 3 260.337 1.493 20 10 CDCDHN COC(=O)[C@H](C)CN1CCCc2cc(O)c(O)cc2C1 ZINC001208722077 894243106 /nfs/dbraw/zinc/24/31/06/894243106.db2.gz DDVJNGFOMNESPH-SNVBAGLBSA-N 0 3 279.336 1.655 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001140957804 899062561 /nfs/dbraw/zinc/06/25/61/899062561.db2.gz ODBAAEKCCJVFQK-WCQYABFASA-N 0 3 260.337 1.269 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001140957804 899062574 /nfs/dbraw/zinc/06/25/74/899062574.db2.gz ODBAAEKCCJVFQK-WCQYABFASA-N 0 3 260.337 1.269 20 10 CDCDHN C[C@@H]1C[C@H](O)CCN1Cc1ccc2c(c1)OCCN2C ZINC001141144315 899788755 /nfs/dbraw/zinc/78/87/55/899788755.db2.gz ZDFDUQBPOCDHKC-TZMCWYRMSA-N 0 3 276.380 1.860 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCO)c2c1 ZINC001236256121 914827087 /nfs/dbraw/zinc/82/70/87/914827087.db2.gz NBSDGKHMXVPEHZ-UHFFFAOYSA-N 0 3 261.321 1.978 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCO)c2c1 ZINC001236256121 914827105 /nfs/dbraw/zinc/82/71/05/914827105.db2.gz NBSDGKHMXVPEHZ-UHFFFAOYSA-N 0 3 261.321 1.978 20 10 CDCDHN CC(C)N(C)CC(=O)N1CCc2cccc(O)c2C1 ZINC001142586997 909507529 /nfs/dbraw/zinc/50/75/29/909507529.db2.gz YISYKWZFXBGADA-UHFFFAOYSA-N 0 3 262.353 1.617 20 10 CDCDHN CN(C)C1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179684287 915921885 /nfs/dbraw/zinc/92/18/85/915921885.db2.gz PAIKKGMWYUUOSZ-FNORWQNLSA-N 0 3 276.336 1.274 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@H](C)C2)c(OC)c1 ZINC001141029123 936794910 /nfs/dbraw/zinc/79/49/10/936794910.db2.gz JKYBVCXIHBFOJU-LLVKDONJSA-N 0 3 280.368 1.545 20 10 CDCDHN OC[C@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1C(F)(F)F ZINC001141156675 936821462 /nfs/dbraw/zinc/82/14/62/936821462.db2.gz QGMZLUDEDLOFBJ-KOLCDFICSA-N 0 3 291.269 1.700 20 10 CDCDHN CCOc1ccc(CN(C)[C@H](C)C[S@](C)=O)c(O)c1 ZINC000776522057 927541129 /nfs/dbraw/zinc/54/11/29/927541129.db2.gz YFCAVZXPEKNSOY-WYRIXSBYSA-N 0 3 285.409 1.990 20 10 CDCDHN Oc1ccc(CNc2ccc3c(n2)CNCC3)cc1O ZINC001169991011 928865724 /nfs/dbraw/zinc/86/57/24/928865724.db2.gz VKRVPJGMGNEFOH-UHFFFAOYSA-N 0 3 271.320 1.751 20 10 CDCDHN C[C@@H](NCC1([NH3+])CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964650 930646529 /nfs/dbraw/zinc/64/65/29/930646529.db2.gz HDARHYOMCNUXMS-SECBINFHSA-N 0 3 265.313 1.832 20 10 CDCDHN C[C@H]1CN(Cc2c(O)cc(O)cc2O)C[C@H](C)O1 ZINC001144500379 931860199 /nfs/dbraw/zinc/86/01/99/931860199.db2.gz SVBDYYCCONGPMO-IUCAKERBSA-N 0 3 253.298 1.413 20 10 CDCDHN CCOC(=O)C[C@H](O)CNCc1ccc(N(C)C)cc1 ZINC001253810250 936153696 /nfs/dbraw/zinc/15/36/96/936153696.db2.gz YQZNYWYVZSFSTG-AWEZNQCLSA-N 0 3 280.368 1.156 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001203621001 939697345 /nfs/dbraw/zinc/69/73/45/939697345.db2.gz MYPAGMQTSLQAHH-OLZOCXBDSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001203621001 939697347 /nfs/dbraw/zinc/69/73/47/939697347.db2.gz MYPAGMQTSLQAHH-OLZOCXBDSA-N 0 3 269.316 1.696 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001204279188 939752117 /nfs/dbraw/zinc/75/21/17/939752117.db2.gz SNNXSOQJQBZKBF-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001204279188 939752120 /nfs/dbraw/zinc/75/21/20/939752120.db2.gz SNNXSOQJQBZKBF-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN Nc1ccc(CC(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC001219029938 941302058 /nfs/dbraw/zinc/30/20/58/941302058.db2.gz VITACRMKZPCNAU-UHFFFAOYSA-N 0 3 297.358 1.932 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1cc(F)c(N(C)C)cc1F ZINC001329966312 941468107 /nfs/dbraw/zinc/46/81/07/941468107.db2.gz LSSPRPHQRLFJHZ-QMMMGPOBSA-N 0 3 271.311 1.384 20 10 CDCDHN COc1cc(Cl)cc(CN2CC(N(C)C)C2)c1O ZINC001233287387 943532322 /nfs/dbraw/zinc/53/23/22/943532322.db2.gz OAUHPZIKFSWVJH-UHFFFAOYSA-N 0 3 270.760 1.800 20 10 CDCDHN Oc1cc(O)c(CN2CCC[C@@]3(CCO3)C2)cc1O ZINC001233485688 943594150 /nfs/dbraw/zinc/59/41/50/943594150.db2.gz HAYOQJVGZOFYHA-CQSZACIVSA-N 0 3 265.309 1.558 20 10 CDCDHN CC(C)O[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486595 943595455 /nfs/dbraw/zinc/59/54/55/943595455.db2.gz TYEOTZDWGFDQTR-LLVKDONJSA-N 0 3 267.325 1.803 20 10 CDCDHN [O-]c1c(CN2CCNC[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989657 943996825 /nfs/dbraw/zinc/99/68/25/943996825.db2.gz QFENSBZSNYGQBB-GOSISDBHSA-N 0 3 297.402 1.683 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053805 944027867 /nfs/dbraw/zinc/02/78/67/944027867.db2.gz LDPNXFFLXOVRMQ-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001235676978 944244467 /nfs/dbraw/zinc/24/44/67/944244467.db2.gz ZKOJXDLIKXJBTR-CJNGLKHVSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001235676978 944244474 /nfs/dbraw/zinc/24/44/74/944244474.db2.gz ZKOJXDLIKXJBTR-CJNGLKHVSA-N 0 3 293.407 1.865 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001236827952 944585809 /nfs/dbraw/zinc/58/58/09/944585809.db2.gz XJPDDXPIKGGVHU-RHSMWYFYSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001236827952 944585821 /nfs/dbraw/zinc/58/58/21/944585821.db2.gz XJPDDXPIKGGVHU-RHSMWYFYSA-N 0 3 287.359 1.721 20 10 CDCDHN OC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119734 944661399 /nfs/dbraw/zinc/66/13/99/944661399.db2.gz FEDNSYGZTNYBAU-KWQFWETISA-N 0 3 289.734 1.360 20 10 CDCDHN COc1cc(CN2CCC(C)(O)CC2)c(O)c(OC)c1 ZINC001237674431 944917233 /nfs/dbraw/zinc/91/72/33/944917233.db2.gz HGALGVWYLGALOR-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc(CN2C[C@@H]3CCO[C@@H]3C2)c(O)c(OC)c1 ZINC001237678575 944923978 /nfs/dbraw/zinc/92/39/78/944923978.db2.gz PKIRWCHCJQKGKR-IINYFYTJSA-N 0 3 279.336 1.630 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001257043630 948495518 /nfs/dbraw/zinc/49/55/18/948495518.db2.gz XSQIVPZUDQZQSI-CMPLNLGQSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC001249172409 949440067 /nfs/dbraw/zinc/44/00/67/949440067.db2.gz MDYOERQKDLCEQO-UHFFFAOYSA-N 0 3 291.347 1.330 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001249177528 949442867 /nfs/dbraw/zinc/44/28/67/949442867.db2.gz BZSMDASIGXOFSA-FZMZJTMJSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001249177528 949442882 /nfs/dbraw/zinc/44/28/82/949442882.db2.gz BZSMDASIGXOFSA-FZMZJTMJSA-N 0 3 293.363 1.453 20 10 CDCDHN CCOc1ccc(N2CCN(C[C@H](O)CC)CC2)cc1 ZINC001251782560 950820158 /nfs/dbraw/zinc/82/01/58/950820158.db2.gz IXJWTABXFDGTPO-OAHLLOKOSA-N 0 3 278.396 1.978 20 10 CDCDHN COc1ccc(N2CCN(CC(C)(C)O)CC2)c(C)c1 ZINC001252355130 951209053 /nfs/dbraw/zinc/20/90/53/951209053.db2.gz DOBBBOJPBBBVHW-UHFFFAOYSA-N 0 3 278.396 1.897 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N)cc1 ZINC001345159511 964611373 /nfs/dbraw/zinc/61/13/73/964611373.db2.gz JHLJQINFFRFBGN-AWEZNQCLSA-N 0 3 266.341 1.327 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC[C@@H](C)CCO)cc1OC ZINC000295025875 199307037 /nfs/dbraw/zinc/30/70/37/199307037.db2.gz CRVDFWSOVVBFKM-LLVKDONJSA-N 0 3 283.368 1.908 20 10 CDCDHN COc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1C ZINC000292531038 198322978 /nfs/dbraw/zinc/32/29/78/198322978.db2.gz FMGRVRZLWSUGKO-KGLIPLIRSA-N 0 3 265.353 1.633 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1cc(OC)ccc1O ZINC000036794588 356884715 /nfs/dbraw/zinc/88/47/15/356884715.db2.gz NQYYEQCGJHOUBH-SECBINFHSA-N 0 3 252.314 1.015 20 10 CDCDHN CC(C)NC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295879787 357572010 /nfs/dbraw/zinc/57/20/10/357572010.db2.gz HNZJPCXYVCCWRU-LBPRGKRZSA-N 0 3 262.353 1.884 20 10 CDCDHN COc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1[O-] ZINC000365565139 359543328 /nfs/dbraw/zinc/54/33/28/359543328.db2.gz XTNKSXNCTMTESY-GFCCVEGCSA-N 0 3 263.337 1.869 20 10 CDCDHN C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615466 359704544 /nfs/dbraw/zinc/70/45/44/359704544.db2.gz JLXAOZBMJIHEPA-XYZCENFISA-N 0 3 259.346 1.778 20 10 CDCDHN COCCOCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000124675223 360389087 /nfs/dbraw/zinc/38/90/87/360389087.db2.gz QAGJBLCQDXGVOK-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168869445 361544826 /nfs/dbraw/zinc/54/48/26/361544826.db2.gz AXZXMKAQIQBIGX-GSRNSYJJSA-N 0 3 259.346 1.949 20 10 CDCDHN C[C@H](C[S@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000168150096 364136234 /nfs/dbraw/zinc/13/62/34/364136234.db2.gz FTBMVDZBDRUYNW-BMLIUANNSA-N 0 3 253.367 1.478 20 10 CDCDHN C[C@](O)(CNCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000270556718 364652593 /nfs/dbraw/zinc/65/25/93/364652593.db2.gz OHXGZDVCQDJBRZ-NSHDSACASA-N 0 3 293.241 1.524 20 10 CDCDHN CCOc1cccc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000271041614 364887495 /nfs/dbraw/zinc/88/74/95/364887495.db2.gz OJFSKSGZGYHCKP-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000271041614 364887498 /nfs/dbraw/zinc/88/74/98/364887498.db2.gz OJFSKSGZGYHCKP-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CNS(=O)(=O)C1CCN(Cc2cccc(C)c2O)CC1 ZINC000271762061 364996275 /nfs/dbraw/zinc/99/62/75/364996275.db2.gz YWWGTVNOIZXELV-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c([O-])c1 ZINC000181232516 365025939 /nfs/dbraw/zinc/02/59/39/365025939.db2.gz IJAHQLDPKNQHNI-LBPRGKRZSA-N 0 3 278.352 1.210 20 10 CDCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000293850513 370824567 /nfs/dbraw/zinc/82/45/67/370824567.db2.gz HSYLGIQVNZTBQY-OLZOCXBDSA-N 0 3 285.771 1.984 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000295944515 378703517 /nfs/dbraw/zinc/70/35/17/378703517.db2.gz LQTDIGAFYZLPFZ-QSGSBWRWSA-N 0 3 277.364 1.681 20 10 CDCDHN COC[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000296604388 285222240 /nfs/dbraw/zinc/22/22/40/285222240.db2.gz XXZRNLOOFOXEQG-NEPJUHHUSA-N 0 3 251.326 1.631 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000093817927 390904947 /nfs/dbraw/zinc/90/49/47/390904947.db2.gz YUBHFKRTUWZELO-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN COC[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151549899 390965864 /nfs/dbraw/zinc/96/58/64/390965864.db2.gz RUTIQLGYBNLNCG-GFCCVEGCSA-N 0 3 296.386 1.911 20 10 CDCDHN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000174639674 391124461 /nfs/dbraw/zinc/12/44/61/391124461.db2.gz RUHQETKITKUNSF-UHFFFAOYSA-N 0 3 271.382 1.695 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000183628602 391267818 /nfs/dbraw/zinc/26/78/18/391267818.db2.gz HSTJVMHVNREZKL-NWDGAFQWSA-N 0 3 298.408 1.467 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000193498037 391340472 /nfs/dbraw/zinc/34/04/72/391340472.db2.gz ILFUROBPFHRMBE-JOYOIKCWSA-N 0 3 267.300 1.963 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000193679871 391344115 /nfs/dbraw/zinc/34/41/15/391344115.db2.gz XIFZEAFHFHLCCD-ABAIWWIYSA-N 0 3 292.379 1.795 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296618227 292629824 /nfs/dbraw/zinc/62/98/24/292629824.db2.gz YZVASYJXAWVAGV-NWDGAFQWSA-N 0 3 251.326 1.367 20 10 CDCDHN COC[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151549848 260982361 /nfs/dbraw/zinc/98/23/61/260982361.db2.gz RUTIQLGYBNLNCG-LBPRGKRZSA-N 0 3 296.386 1.911 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)NCCOCCO)cc1 ZINC000159108927 261179001 /nfs/dbraw/zinc/17/90/01/261179001.db2.gz MJZVTOPVDMNINQ-CYBMUJFWSA-N 0 3 266.385 1.802 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177738 262312324 /nfs/dbraw/zinc/31/23/24/262312324.db2.gz ATWKGEOUAKYOKA-QMTHXVAHSA-N 0 3 267.325 1.203 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220403 262312359 /nfs/dbraw/zinc/31/23/59/262312359.db2.gz YINIDERFVARCHB-SECBINFHSA-N 0 3 266.341 1.563 20 10 CDCDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000278748269 279046821 /nfs/dbraw/zinc/04/68/21/279046821.db2.gz WBSNWOJQPHYRLP-XHDPSFHLSA-N 0 3 282.359 1.521 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285363798 293186666 /nfs/dbraw/zinc/18/66/66/293186666.db2.gz VREGWIOTIDTWNN-VXGBXAGGSA-N 0 3 253.342 1.667 20 10 CDCDHN COc1cccc(CNCCS(=O)(=O)C(C)C)c1O ZINC000290172506 328114120 /nfs/dbraw/zinc/11/41/20/328114120.db2.gz MYYBWETXTBFTQL-UHFFFAOYSA-N 0 3 287.381 1.314 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CC[C@H](O)CC1)OCO2 ZINC000252703469 334385710 /nfs/dbraw/zinc/38/57/10/334385710.db2.gz KAUAAXQCYFMVSW-XYPYZODXSA-N 0 3 265.309 1.514 20 10 CDCDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000279851729 519539026 /nfs/dbraw/zinc/53/90/26/519539026.db2.gz RWDQKTVOARTJFZ-ZDUSSCGKSA-N 0 3 262.353 1.740 20 10 CDCDHN CCN(C)C(=O)CN[C@@H](C)c1cc(C)ccc1O ZINC000186813659 520171881 /nfs/dbraw/zinc/17/18/81/520171881.db2.gz YLDXAUAVBLAFIA-NSHDSACASA-N 0 3 250.342 1.830 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000040825784 522200738 /nfs/dbraw/zinc/20/07/38/522200738.db2.gz XQQLAEAIAXZKBE-AWEZNQCLSA-N 0 3 261.369 1.511 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000279347688 522359804 /nfs/dbraw/zinc/35/98/04/522359804.db2.gz FXOYMJGXNCWNFZ-OCCSQVGLSA-N 0 3 269.316 1.815 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@@H]2OC)c1[O-] ZINC000290811735 522543363 /nfs/dbraw/zinc/54/33/63/522543363.db2.gz GDPBOLZNXUHSDG-JQWIXIFHSA-N 0 3 287.743 1.558 20 10 CDCDHN CN1CCN(CCC[N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000289505827 522755011 /nfs/dbraw/zinc/75/50/11/522755011.db2.gz UEOWVIBWVHMUCT-UHFFFAOYSA-N 0 3 295.402 1.601 20 10 CDCDHN CN1CCN(CCC[N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000289505827 522755018 /nfs/dbraw/zinc/75/50/18/522755018.db2.gz UEOWVIBWVHMUCT-UHFFFAOYSA-N 0 3 295.402 1.601 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000093899020 524080529 /nfs/dbraw/zinc/08/05/29/524080529.db2.gz YDXALPJZYHLQJO-LBPRGKRZSA-N 0 3 264.369 1.823 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000093899020 524080530 /nfs/dbraw/zinc/08/05/30/524080530.db2.gz YDXALPJZYHLQJO-LBPRGKRZSA-N 0 3 264.369 1.823 20 10 CDCDHN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292969175 524433012 /nfs/dbraw/zinc/43/30/12/524433012.db2.gz KCIOQQXZFUUKGF-BMIGLBTASA-N 0 3 279.336 1.762 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276754792 524744113 /nfs/dbraw/zinc/74/41/13/524744113.db2.gz FZWPHYMSYWGNTH-ZDUSSCGKSA-N 0 3 290.363 1.598 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO ZINC000276724662 524996116 /nfs/dbraw/zinc/99/61/16/524996116.db2.gz AOGAFNCAKKULDF-YPMHNXCESA-N 0 3 266.360 1.952 20 10 CDCDHN OCCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000769538002 575357709 /nfs/dbraw/zinc/35/77/09/575357709.db2.gz OMSILKRSHXPEMC-UHFFFAOYSA-N 0 3 295.335 1.094 20 10 CDCDHN CCOc1ccc(CN2CC[NH2+][C@@H](C)C2)c([O-])c1 ZINC000768140453 576260365 /nfs/dbraw/zinc/26/03/65/576260365.db2.gz PTAFOOOWLNWCAE-NSHDSACASA-N 0 3 250.342 1.585 20 10 CDCDHN CC1(C)[C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]21 ZINC000768466517 576288140 /nfs/dbraw/zinc/28/81/40/576288140.db2.gz RDTDHPJYHZSPCV-MBNYWOFBSA-N 0 3 275.348 1.906 20 10 CDCDHN CC1(C)[C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]21 ZINC000768466517 576288141 /nfs/dbraw/zinc/28/81/41/576288141.db2.gz RDTDHPJYHZSPCV-MBNYWOFBSA-N 0 3 275.348 1.906 20 10 CDCDHN COc1ccc(N2CCN(CC3(C)COC3)CC2)cc1F ZINC000753860528 576863059 /nfs/dbraw/zinc/86/30/59/576863059.db2.gz GHBNILGPRDKJRV-UHFFFAOYSA-N 0 3 294.370 1.993 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000754839871 576918496 /nfs/dbraw/zinc/91/84/96/576918496.db2.gz HSYCIXPKBZMAFI-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756524597 576993759 /nfs/dbraw/zinc/99/37/59/576993759.db2.gz HOPRLCIFOBKOBH-FXPVBKGRSA-N 0 3 278.327 1.900 20 10 CDCDHN Cc1ccc(O)c(CN(C)CCNC(=O)N(C)C)c1 ZINC000757865014 577058541 /nfs/dbraw/zinc/05/85/41/577058541.db2.gz JZBXHMUBYQPVLP-UHFFFAOYSA-N 0 3 265.357 1.404 20 10 CDCDHN COc1ccc(CNCc2ccnn2C)c(O)c1OC ZINC000892551303 617497197 /nfs/dbraw/zinc/49/71/97/617497197.db2.gz FIOZUIGDIJPEDL-UHFFFAOYSA-N 0 3 277.324 1.433 20 10 CDCDHN COCC(COC)NCc1ccc(N(C)C)cc1C ZINC000840951172 617735882 /nfs/dbraw/zinc/73/58/82/617735882.db2.gz UCPINJZZNINHDK-UHFFFAOYSA-N 0 3 266.385 1.812 20 10 CDCDHN COc1ccc(C[N@H+](C)CCCCO)c([O-])c1OC ZINC000893949635 618217174 /nfs/dbraw/zinc/21/71/74/618217174.db2.gz TZTJIBSPRYFKKG-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN COc1ccc(C[N@@H+](C)CCCCO)c([O-])c1OC ZINC000893949635 618217176 /nfs/dbraw/zinc/21/71/76/618217176.db2.gz TZTJIBSPRYFKKG-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000841099708 618682122 /nfs/dbraw/zinc/68/21/22/618682122.db2.gz WERVYSUPOZFITJ-LLVKDONJSA-N 0 3 286.759 1.132 20 10 CDCDHN COc1ccc(C[N@H+](C)[C@H](C)CCO)c([O-])c1OC ZINC000895186786 619439572 /nfs/dbraw/zinc/43/95/72/619439572.db2.gz XOBYTALUJDWCTI-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1ccc(C[N@@H+](C)[C@H](C)CCO)c([O-])c1OC ZINC000895186786 619439575 /nfs/dbraw/zinc/43/95/75/619439575.db2.gz XOBYTALUJDWCTI-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cc(O)c(CNC[C@@H]2CC(C)=NO2)cc1OC ZINC000895306803 619533694 /nfs/dbraw/zinc/53/36/94/619533694.db2.gz KEDNJPRLILSKGQ-NSHDSACASA-N 0 3 280.324 1.664 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c([O-])c1 ZINC000895317885 619549458 /nfs/dbraw/zinc/54/94/58/619549458.db2.gz QBHALQSAJWOMTL-ZDUSSCGKSA-N 0 3 278.352 1.405 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895749638 619825695 /nfs/dbraw/zinc/82/56/95/619825695.db2.gz UOQYBWLUBPAVHP-OLZOCXBDSA-N 0 3 265.353 1.720 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895749637 619825960 /nfs/dbraw/zinc/82/59/60/619825960.db2.gz UOQYBWLUBPAVHP-CHWSQXEVSA-N 0 3 265.353 1.720 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000706846342 1158765108 /nfs/dbraw/zinc/76/51/08/1158765108.db2.gz FSQJOJZDWKSKLU-MRVPVSSYSA-N 0 3 271.158 1.688 20 10 CDCDHN CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000229561421 818219189 /nfs/dbraw/zinc/21/91/89/818219189.db2.gz FTEHXTMFUIQYPA-LBPRGKRZSA-N 0 3 286.397 1.372 20 10 CDCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536904 818785644 /nfs/dbraw/zinc/78/56/44/818785644.db2.gz SQZUAYPFZRZCFQ-IUODEOHRSA-N 0 3 291.395 1.438 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])[C@@H]1OC ZINC000877352447 818875061 /nfs/dbraw/zinc/87/50/61/818875061.db2.gz YHMPIDOPORHYFV-YUELXQCFSA-N 0 3 265.353 1.983 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NCCF ZINC000840943041 818911919 /nfs/dbraw/zinc/91/19/19/818911919.db2.gz PWSBSBPHTGWQKK-LBPRGKRZSA-N 0 3 281.375 1.625 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CC(C)C ZINC000882916558 818983311 /nfs/dbraw/zinc/98/33/11/818983311.db2.gz RHBZTPRDNCLRCB-NSHDSACASA-N 0 3 253.342 1.897 20 10 CDCDHN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccccc1[O-] ZINC000858588347 819036042 /nfs/dbraw/zinc/03/60/42/819036042.db2.gz ZCDRWAXVIUNTAT-ZYHUDNBSSA-N 0 3 266.341 1.841 20 10 CDCDHN CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])CC12COC2 ZINC000824490036 819811886 /nfs/dbraw/zinc/81/18/86/819811886.db2.gz SPNCBTOKMOCZJR-CYBMUJFWSA-N 0 3 291.347 1.404 20 10 CDCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])CC12COC2 ZINC000824490036 819811888 /nfs/dbraw/zinc/81/18/88/819811888.db2.gz SPNCBTOKMOCZJR-CYBMUJFWSA-N 0 3 291.347 1.404 20 10 CDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841955449 819846462 /nfs/dbraw/zinc/84/64/62/819846462.db2.gz CGISXNWXPZZNGF-NWDGAFQWSA-N 0 3 276.384 1.203 20 10 CDCDHN CCN1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000846208378 819893883 /nfs/dbraw/zinc/89/38/83/819893883.db2.gz JBLJNJMBDRKVQW-DGCLKSJQSA-N 0 3 274.364 1.838 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000877533473 820470933 /nfs/dbraw/zinc/47/09/33/820470933.db2.gz OTVCDZLIESQDDX-GFCCVEGCSA-N 0 3 283.393 1.615 20 10 CDCDHN CCS(=O)(=O)CCNCc1ccc(N(C)C)cc1C ZINC000840932155 820695705 /nfs/dbraw/zinc/69/57/05/820695705.db2.gz NWVKVSAAUQBKLX-UHFFFAOYSA-N 0 3 284.425 1.585 20 10 CDCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC000092456745 820821710 /nfs/dbraw/zinc/82/17/10/820821710.db2.gz CCQVXRKMTMCGHL-SECBINFHSA-N 0 3 285.185 1.948 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(F)cc1[O-] ZINC000717368892 820831285 /nfs/dbraw/zinc/83/12/85/820831285.db2.gz ULRXMHIKVKZHEE-MWLCHTKSSA-N 0 3 256.321 1.104 20 10 CDCDHN C[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1[O-] ZINC000162314954 820860439 /nfs/dbraw/zinc/86/04/39/820860439.db2.gz AQUSHMXLSGQEQH-NSHDSACASA-N 0 3 251.326 1.584 20 10 CDCDHN CCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000211419353 820884439 /nfs/dbraw/zinc/88/44/39/820884439.db2.gz KKXJYSCIMMCLSZ-NSHDSACASA-N 0 3 278.352 1.647 20 10 CDCDHN CCN1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877077790 820893007 /nfs/dbraw/zinc/89/30/07/820893007.db2.gz URZUNZZQQMQLLA-UHFFFAOYSA-N 0 3 290.411 1.259 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000382465258 821817922 /nfs/dbraw/zinc/81/79/22/821817922.db2.gz ZPYSAWYPMNKDII-LLVKDONJSA-N 0 3 271.311 1.351 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(F)ccc1[O-] ZINC000817984171 821898144 /nfs/dbraw/zinc/89/81/44/821898144.db2.gz VRSXNSNVKIMKKC-KOLCDFICSA-N 0 3 254.305 1.170 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H]2CCCOC2)c([O-])c1 ZINC000040906818 822001243 /nfs/dbraw/zinc/00/12/43/822001243.db2.gz WPPZVHKAIBNZJT-LLVKDONJSA-N 0 3 251.326 1.917 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000877501148 822218235 /nfs/dbraw/zinc/21/82/35/822218235.db2.gz JXMYASVKRYSLJM-UHFFFAOYSA-N 0 3 295.379 1.348 20 10 CDCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536901 822358068 /nfs/dbraw/zinc/35/80/68/822358068.db2.gz SQZUAYPFZRZCFQ-WFASDCNBSA-N 0 3 291.395 1.438 20 10 CDCDHN COc1ccc(O)c(CNCc2cccc(C(N)=O)c2)c1 ZINC000036902965 909861969 /nfs/dbraw/zinc/86/19/69/909861969.db2.gz IJIWTQNSIOJMTI-UHFFFAOYSA-N 0 3 286.331 1.790 20 10 CDCDHN COC(=O)C1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140744339 936749099 /nfs/dbraw/zinc/74/90/99/936749099.db2.gz UKPDMRCXZDYJPZ-UHFFFAOYSA-N 0 3 279.336 1.791 20 10 CDCDHN COCn1ncc(C)c1C[NH2+]Cc1ccccc1[O-] ZINC001117696865 937543749 /nfs/dbraw/zinc/54/37/49/937543749.db2.gz RQMOKLKXIOHQAY-UHFFFAOYSA-N 0 3 261.325 1.791 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001204281079 939752369 /nfs/dbraw/zinc/75/23/69/939752369.db2.gz PYXJQMPMBFMIHY-PHIMTYICSA-N 0 3 285.290 1.811 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001204281079 939752370 /nfs/dbraw/zinc/75/23/70/939752370.db2.gz PYXJQMPMBFMIHY-PHIMTYICSA-N 0 3 285.290 1.811 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC12CC2 ZINC001204281810 939752589 /nfs/dbraw/zinc/75/25/89/939752589.db2.gz KVYSKMUVNUZNDD-LBPRGKRZSA-N 0 3 277.320 1.483 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC12CC2 ZINC001204281810 939752591 /nfs/dbraw/zinc/75/25/91/939752591.db2.gz KVYSKMUVNUZNDD-LBPRGKRZSA-N 0 3 277.320 1.483 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@@H](F)[C@@H](N)C1 ZINC001204829676 939795542 /nfs/dbraw/zinc/79/55/42/939795542.db2.gz DHSFGMGEJLNGBQ-OLZOCXBDSA-N 0 3 267.348 1.242 20 10 CDCDHN COc1cc(CN2CCC(C(C)=O)CC2)c(O)cc1O ZINC001231636570 942951799 /nfs/dbraw/zinc/95/17/99/942951799.db2.gz YHZBQMLWCPHYAT-UHFFFAOYSA-N 0 3 279.336 1.907 20 10 CDCDHN COC(=O)C1(O)CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231850926 943028512 /nfs/dbraw/zinc/02/85/12/943028512.db2.gz WWXRJRZZHLQEQI-UHFFFAOYSA-N 0 3 293.363 1.509 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCC(O)CC1 ZINC001231848656 943028948 /nfs/dbraw/zinc/02/89/48/943028948.db2.gz JMKXRPVXGOJFRB-UHFFFAOYSA-N 0 3 264.369 1.718 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234986625 943997443 /nfs/dbraw/zinc/99/74/43/943997443.db2.gz KTSKHZSEZKDHDQ-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001235676976 944243978 /nfs/dbraw/zinc/24/39/78/944243978.db2.gz ZKOJXDLIKXJBTR-BBRMVZONSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001235676976 944243984 /nfs/dbraw/zinc/24/39/84/944243984.db2.gz ZKOJXDLIKXJBTR-BBRMVZONSA-N 0 3 293.407 1.865 20 10 CDCDHN COC(=O)CC1CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236814993 944578281 /nfs/dbraw/zinc/57/82/81/944578281.db2.gz ZDIMLGOIPIZXRZ-UHFFFAOYSA-N 0 3 279.336 1.704 20 10 CDCDHN CCOc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001237049531 944647220 /nfs/dbraw/zinc/64/72/20/944647220.db2.gz HIQQUZSQDFJGJW-CYBMUJFWSA-N 0 3 297.395 1.745 20 10 CDCDHN CCOc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001237049531 944647225 /nfs/dbraw/zinc/64/72/25/944647225.db2.gz HIQQUZSQDFJGJW-CYBMUJFWSA-N 0 3 297.395 1.745 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1[O-] ZINC001237681405 944924755 /nfs/dbraw/zinc/92/47/55/944924755.db2.gz PEONFTIKHJEVQA-DZGCQCFKSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1[O-] ZINC001237681405 944924761 /nfs/dbraw/zinc/92/47/61/944924761.db2.gz PEONFTIKHJEVQA-DZGCQCFKSA-N 0 3 299.798 1.919 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CN1 ZINC001246240982 948050255 /nfs/dbraw/zinc/05/02/55/948050255.db2.gz UGSJHXOXMZSMEI-MDZLAQPJSA-N 0 3 278.352 1.336 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCOCC1)c1ccccc1[O-] ZINC001256324333 948272728 /nfs/dbraw/zinc/27/27/28/948272728.db2.gz RJFWAFYESHDONJ-QWHCGFSZSA-N 0 3 292.379 1.680 20 10 CDCDHN CN(C)c1cc(F)c(CNCCCCO)cc1F ZINC001351331189 966914615 /nfs/dbraw/zinc/91/46/15/966914615.db2.gz QOZSEEMZQPNCTM-UHFFFAOYSA-N 0 3 258.312 1.893 20 10 CDCDHN OCCCN(CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000093323803 342421806 /nfs/dbraw/zinc/42/18/06/342421806.db2.gz AUGRMVLRVZLSDZ-UHFFFAOYSA-N 0 3 292.423 1.854 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000219452534 344889226 /nfs/dbraw/zinc/88/92/26/344889226.db2.gz BEXHIIGVTKMTAS-LLVKDONJSA-N 0 3 262.275 1.765 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295164766 199382114 /nfs/dbraw/zinc/38/21/14/199382114.db2.gz SOSKVBQYLWJAHP-AWEZNQCLSA-N 0 3 294.395 1.337 20 10 CDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112839334 366159474 /nfs/dbraw/zinc/15/94/74/366159474.db2.gz GIANITUMOFASPP-ZIAGYGMSSA-N 0 3 296.798 1.998 20 10 CDCDHN COCC[NH+](CCOC)Cc1cc(F)ccc1[O-] ZINC000179868340 357228180 /nfs/dbraw/zinc/22/81/80/357228180.db2.gz GOCXCSAALMOSCZ-UHFFFAOYSA-N 0 3 257.305 1.626 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000185366024 357536409 /nfs/dbraw/zinc/53/64/09/357536409.db2.gz KUXINOKQIUPLFS-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN CNC(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000273366695 358704896 /nfs/dbraw/zinc/70/48/96/358704896.db2.gz BOFMPIIFMNNPLN-SECBINFHSA-N 0 3 254.305 1.708 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367785573 359431527 /nfs/dbraw/zinc/43/15/27/359431527.db2.gz XHIVLFKTEAQYKP-GDNZZTSVSA-N 0 3 283.755 1.724 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000083514553 360093888 /nfs/dbraw/zinc/09/38/88/360093888.db2.gz QQGKDOFPXBSAEK-LLVKDONJSA-N 0 3 269.366 1.225 20 10 CDCDHN COCCOCCN(C)Cc1ccc(N(C)C)cc1 ZINC000267505123 363835093 /nfs/dbraw/zinc/83/50/93/363835093.db2.gz WJPTZZQCKWQVSY-UHFFFAOYSA-N 0 3 266.385 1.847 20 10 CDCDHN C[S@](=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000282338643 364063248 /nfs/dbraw/zinc/06/32/48/364063248.db2.gz LYEUABYZWBFZTA-IBGZPJMESA-N 0 3 283.349 1.122 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCOCCO)c([O-])c1C ZINC000273445999 365497279 /nfs/dbraw/zinc/49/72/79/365497279.db2.gz ZUXNKSXETOJNSW-LBPRGKRZSA-N 0 3 253.342 1.669 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@@H](N)C1CCOCC1 ZINC000282270976 367805292 /nfs/dbraw/zinc/80/52/92/367805292.db2.gz IBWJPBWXCICEOA-AWEZNQCLSA-N 0 3 278.352 1.105 20 10 CDCDHN CCN(CCOCCO)Cc1ccc(N(C)C)c(F)c1 ZINC000282826754 368056598 /nfs/dbraw/zinc/05/65/98/368056598.db2.gz UONBURXXZXRZBM-UHFFFAOYSA-N 0 3 284.375 1.723 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000284235046 368507290 /nfs/dbraw/zinc/50/72/90/368507290.db2.gz VGJHSWXFUYFUIN-NEPJUHHUSA-N 0 3 283.393 1.868 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000156991945 261136595 /nfs/dbraw/zinc/13/65/95/261136595.db2.gz MQAXXDFUUICKRZ-UHFFFAOYSA-N 0 3 264.369 1.967 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000156991945 261136597 /nfs/dbraw/zinc/13/65/97/261136597.db2.gz MQAXXDFUUICKRZ-UHFFFAOYSA-N 0 3 264.369 1.967 20 10 CDCDHN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1[O-] ZINC000287728143 369291359 /nfs/dbraw/zinc/29/13/59/369291359.db2.gz YGFULZLAVXMMPP-GFCCVEGCSA-N 0 3 265.353 1.974 20 10 CDCDHN CC[C@H]([NH2+]CCCC(=O)NC)c1ccccc1[O-] ZINC000274939979 371197810 /nfs/dbraw/zinc/19/78/10/371197810.db2.gz SRJYAVRBBDLKKV-LBPRGKRZSA-N 0 3 250.342 1.959 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000282367966 391468111 /nfs/dbraw/zinc/46/81/11/391468111.db2.gz NTLPUNJJVZYBBW-YGRLFVJLSA-N 0 3 279.359 1.506 20 10 CDCDHN CC(C)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000135225871 391719925 /nfs/dbraw/zinc/71/99/25/391719925.db2.gz LYKOCOXKACTOJC-UHFFFAOYSA-N 0 3 253.298 1.372 20 10 CDCDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000038047620 174058121 /nfs/dbraw/zinc/05/81/21/174058121.db2.gz HKOJVSNUPLDBCX-LBPRGKRZSA-N 0 3 284.425 1.838 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000038060606 174071734 /nfs/dbraw/zinc/07/17/34/174071734.db2.gz RLFHSVPDHPZQPY-VXGBXAGGSA-N 0 3 251.326 1.767 20 10 CDCDHN C[C@H](NC[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060938 174072796 /nfs/dbraw/zinc/07/27/96/174072796.db2.gz NUBZLKHHZJRSJY-SWLSCSKDSA-N 0 3 264.369 1.819 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000059240911 262387429 /nfs/dbraw/zinc/38/74/29/262387429.db2.gz CHLRSYHCFZXYGB-CYBMUJFWSA-N 0 3 253.342 1.897 20 10 CDCDHN Cc1cc(O)c(CN2CCNC(=O)C[C@H]2C)cc1C ZINC000368137214 267147397 /nfs/dbraw/zinc/14/73/97/267147397.db2.gz YFFUGUBAQFSHNQ-GFCCVEGCSA-N 0 3 262.353 1.719 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000369676206 267259654 /nfs/dbraw/zinc/25/96/54/267259654.db2.gz MTSSDOPHJTYJDP-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000369676206 267259657 /nfs/dbraw/zinc/25/96/57/267259657.db2.gz MTSSDOPHJTYJDP-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297028367 277493407 /nfs/dbraw/zinc/49/34/07/277493407.db2.gz URAFBGSDKOSPEI-GFCCVEGCSA-N 0 3 295.404 1.794 20 10 CDCDHN COC[C@H](CCO)NCc1ccc2c(c1)CCO2 ZINC000219135985 329147358 /nfs/dbraw/zinc/14/73/58/329147358.db2.gz FUTMFCHISQMZMA-ZDUSSCGKSA-N 0 3 251.326 1.109 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccccc1[O-] ZINC000278700571 327184815 /nfs/dbraw/zinc/18/48/15/327184815.db2.gz HIVLFSLCHTXTNZ-WHOFXGATSA-N 0 3 265.353 1.973 20 10 CDCDHN CCn1nncc1CN[C@H]1CCc2cccc(O)c21 ZINC000527917209 330295256 /nfs/dbraw/zinc/29/52/56/330295256.db2.gz RNIZQFJFPOOEQK-LBPRGKRZSA-N 0 3 258.325 1.781 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530221048 333528670 /nfs/dbraw/zinc/52/86/70/333528670.db2.gz CDJXSGGXRRAGND-MNOVXSKESA-N 0 3 266.341 1.040 20 10 CDCDHN CCOCCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000127472975 519921598 /nfs/dbraw/zinc/92/15/98/519921598.db2.gz KEICDXVPUIVEMX-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278532026 521154366 /nfs/dbraw/zinc/15/43/66/521154366.db2.gz VKIYAEASKWWPQI-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280443716 527579467 /nfs/dbraw/zinc/57/94/67/527579467.db2.gz CUYBVYUFPQLSBZ-CMPLNLGQSA-N 0 3 269.316 1.266 20 10 CDCDHN Cc1cc(O)c(CN2CCc3nn(C)c(=O)cc3C2)cc1C ZINC000072916272 538430210 /nfs/dbraw/zinc/43/02/10/538430210.db2.gz WEEDJWAWGKBALZ-UHFFFAOYSA-N 0 3 299.374 1.661 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000734847047 575387889 /nfs/dbraw/zinc/38/78/89/575387889.db2.gz ZWQGJKWFUQBOJT-AWEZNQCLSA-N 0 3 269.341 1.278 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c([O-])c1 ZINC000770383450 575444033 /nfs/dbraw/zinc/44/40/33/575444033.db2.gz VLBWQODCJMEJTG-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c([O-])c1 ZINC000770383450 575444035 /nfs/dbraw/zinc/44/40/35/575444035.db2.gz VLBWQODCJMEJTG-IAQYHMDHSA-N 0 3 265.353 1.994 20 10 CDCDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734843808 575387238 /nfs/dbraw/zinc/38/72/38/575387238.db2.gz CCJIRZMSNJVSSK-MRXNPFEDSA-N 0 3 294.370 1.523 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000770381145 575443772 /nfs/dbraw/zinc/44/37/72/575443772.db2.gz ODEWJHGOJNGGTP-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000770381145 575443775 /nfs/dbraw/zinc/44/37/75/575443775.db2.gz ODEWJHGOJNGGTP-ZDUSSCGKSA-N 0 3 292.379 1.701 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(C)ccc2[O-])CCCOC1 ZINC000770675608 575484010 /nfs/dbraw/zinc/48/40/10/575484010.db2.gz PAKYLJAIYAZUTM-INIZCTEOSA-N 0 3 293.363 1.903 20 10 CDCDHN C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768447059 576284183 /nfs/dbraw/zinc/28/41/83/576284183.db2.gz QRCNXUNZDWQDFV-DOMZBBRYSA-N 0 3 292.379 1.344 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462078 576286314 /nfs/dbraw/zinc/28/63/14/576286314.db2.gz IVLLOPSHIPMIOK-JVLSTEMRSA-N 0 3 293.363 1.553 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462078 576286316 /nfs/dbraw/zinc/28/63/16/576286316.db2.gz IVLLOPSHIPMIOK-JVLSTEMRSA-N 0 3 293.363 1.553 20 10 CDCDHN CCOc1ccc(O)c(CNC[C@@H](C)S(C)(=O)=O)c1 ZINC000754084808 576878732 /nfs/dbraw/zinc/87/87/32/576878732.db2.gz CHIYFERPCRDGRU-SNVBAGLBSA-N 0 3 287.381 1.314 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCCN(C(N)=O)CC1 ZINC000840912381 617633608 /nfs/dbraw/zinc/63/36/08/617633608.db2.gz FULLQZFSXSYLNM-UHFFFAOYSA-N 0 3 290.411 1.647 20 10 CDCDHN COc1ccc(O)c(CN[C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000877693631 618701141 /nfs/dbraw/zinc/70/11/41/618701141.db2.gz MKNNOIYURWYVOO-RDDDGLTNSA-N 0 3 279.258 1.802 20 10 CDCDHN CN(C)c1ccc(CNC[C@](C)(O)C(F)F)cc1F ZINC000905077534 626392608 /nfs/dbraw/zinc/39/26/08/626392608.db2.gz ZSEWPYRDAPJZSE-ZDUSSCGKSA-N 0 3 276.302 1.997 20 10 CDCDHN [O-]c1c(F)cc(Cl)cc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087781 628482648 /nfs/dbraw/zinc/48/26/48/628482648.db2.gz WNHKNZHLKBYVST-NSHDSACASA-N 0 3 288.750 1.653 20 10 CDCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CNCCCO1 ZINC000841087781 628482652 /nfs/dbraw/zinc/48/26/52/628482652.db2.gz WNHKNZHLKBYVST-NSHDSACASA-N 0 3 288.750 1.653 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877048649 630593021 /nfs/dbraw/zinc/59/30/21/630593021.db2.gz NRAZQAPSEHQUMZ-MFKMUULPSA-N 0 3 255.383 1.903 20 10 CDCDHN C[S@@](=O)CCNCc1ccc2c(c1)CCCO2 ZINC000921751141 633265150 /nfs/dbraw/zinc/26/51/50/633265150.db2.gz DUNQSLJDFVWKNA-QGZVFWFLSA-N 0 3 253.367 1.480 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000129576291 1159028379 /nfs/dbraw/zinc/02/83/79/1159028379.db2.gz QZFQGKIZDXLFII-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000129576291 1159028386 /nfs/dbraw/zinc/02/83/86/1159028386.db2.gz QZFQGKIZDXLFII-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN Oc1ccc(CNC[C@H](O)c2ccccc2)cc1O ZINC000035112685 1165641758 /nfs/dbraw/zinc/64/17/58/1165641758.db2.gz PFMVUJFQCSUEOM-HNNXBMFYSA-N 0 3 259.305 1.921 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000877493424 1166049435 /nfs/dbraw/zinc/04/94/35/1166049435.db2.gz BELFOWUIEMUKBX-UONOGXRCSA-N 0 3 265.353 1.435 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000817415532 822724972 /nfs/dbraw/zinc/72/49/72/822724972.db2.gz UNFYQHZBHHOXHR-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN C[C@H](NC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817955781 823916419 /nfs/dbraw/zinc/91/64/19/823916419.db2.gz HRRQLPXZYBTQND-ZETCQYMHSA-N 0 3 271.158 1.777 20 10 CDCDHN CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000842720443 828602332 /nfs/dbraw/zinc/60/23/32/828602332.db2.gz HSPNHIFBTKDZJS-GFCCVEGCSA-N 0 3 262.353 1.881 20 10 CDCDHN CN(Cc1c[nH]cn1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000826769767 824051419 /nfs/dbraw/zinc/05/14/19/824051419.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 0 3 299.422 1.794 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@H](C[NH3+])C2CC2)c1[O-] ZINC000843386733 828609486 /nfs/dbraw/zinc/60/94/86/828609486.db2.gz LHSCNGLCJQZFRO-CQSZACIVSA-N 0 3 280.343 1.903 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000877099263 824168943 /nfs/dbraw/zinc/16/89/43/824168943.db2.gz DUXVZDYOIDJVLG-IUODEOHRSA-N 0 3 264.369 1.509 20 10 CDCDHN Cc1cc(C)c(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000853554415 824311068 /nfs/dbraw/zinc/31/10/68/824311068.db2.gz XLTHUIZXRWTFCQ-MRXNPFEDSA-N 0 3 290.407 1.916 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164542433 824383383 /nfs/dbraw/zinc/38/33/83/824383383.db2.gz JIKVSLLZGLIKJL-ZDUSSCGKSA-N 0 3 298.408 1.133 20 10 CDCDHN CN(C)c1cc(F)c(CNCC2(CO)CC2)cc1F ZINC000858148331 824504191 /nfs/dbraw/zinc/50/41/91/824504191.db2.gz SYLFMEKVSDKHKC-UHFFFAOYSA-N 0 3 270.323 1.893 20 10 CDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000866441323 824729521 /nfs/dbraw/zinc/72/95/21/824729521.db2.gz ZJJVUMCYTQRXEO-VWYCJHECSA-N 0 3 294.351 1.109 20 10 CDCDHN C[C@H](C[NH3+])N(C)Cc1cc(Br)ccc1[O-] ZINC000382973061 824813780 /nfs/dbraw/zinc/81/37/80/824813780.db2.gz MFBSTAHAONDGSK-MRVPVSSYSA-N 0 3 273.174 1.934 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877035659 825268688 /nfs/dbraw/zinc/26/86/88/825268688.db2.gz ZPNJJNIBVSQWSX-CQSZACIVSA-N 0 3 253.342 1.578 20 10 CDCDHN COc1cccc([C@H](C)NCc2cncn2C)c1O ZINC000846172715 825274415 /nfs/dbraw/zinc/27/44/15/825274415.db2.gz OODPTVLYZKQSJL-JTQLQIEISA-N 0 3 261.325 1.985 20 10 CDCDHN Cc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1 ZINC000876598344 828788072 /nfs/dbraw/zinc/78/80/72/828788072.db2.gz NCEDENJVGNMZNW-UHFFFAOYSA-N 0 3 250.342 1.644 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000876745247 828808665 /nfs/dbraw/zinc/80/86/65/828808665.db2.gz BMOOLZLSJCNHII-UHFFFAOYSA-N 0 3 274.364 1.803 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834803184 825795692 /nfs/dbraw/zinc/79/56/92/825795692.db2.gz MDQSFMOXLTVXGT-RYUDHWBXSA-N 0 3 294.420 1.837 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)C1CCC1 ZINC000825240575 825896386 /nfs/dbraw/zinc/89/63/86/825896386.db2.gz MPTWXVDVSZIMNQ-ZDUSSCGKSA-N 0 3 251.326 1.651 20 10 CDCDHN C[C@@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775183414 826193653 /nfs/dbraw/zinc/19/36/53/826193653.db2.gz XBFVYRQPKBBPSG-OAHLLOKOSA-N 0 3 289.423 1.659 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000862428631 826241140 /nfs/dbraw/zinc/24/11/40/826241140.db2.gz STLXOTSAXHCMSI-CYBMUJFWSA-N 0 3 292.379 1.844 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000862428631 826241158 /nfs/dbraw/zinc/24/11/58/826241158.db2.gz STLXOTSAXHCMSI-CYBMUJFWSA-N 0 3 292.379 1.844 20 10 CDCDHN CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126364948 826335227 /nfs/dbraw/zinc/33/52/27/826335227.db2.gz JPERRBXACLJBTN-LLVKDONJSA-N 0 3 278.352 1.558 20 10 CDCDHN CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126364948 826335234 /nfs/dbraw/zinc/33/52/34/826335234.db2.gz JPERRBXACLJBTN-LLVKDONJSA-N 0 3 278.352 1.558 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000877493479 826349305 /nfs/dbraw/zinc/34/93/05/826349305.db2.gz BWHTWJGNXPRWLI-QWHCGFSZSA-N 0 3 265.353 1.435 20 10 CDCDHN CN(C)c1ccc(CN(CC(N)=O)C2CCOCC2)cc1 ZINC000880395652 826373303 /nfs/dbraw/zinc/37/33/03/826373303.db2.gz OXCKEEDDXWIGFQ-UHFFFAOYSA-N 0 3 291.395 1.219 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c([O-])c1 ZINC000797605457 826729231 /nfs/dbraw/zinc/72/92/31/826729231.db2.gz RINZMGXWLWVPCV-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c([O-])c1 ZINC000797605457 826729260 /nfs/dbraw/zinc/72/92/60/826729260.db2.gz RINZMGXWLWVPCV-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc(CN[C@](C)(C(N)=O)C(C)C)cc1C ZINC000388935925 826801053 /nfs/dbraw/zinc/80/10/53/826801053.db2.gz UITIATPHJUGAPM-HNNXBMFYSA-N 0 3 264.369 1.993 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000850342922 826826596 /nfs/dbraw/zinc/82/65/96/826826596.db2.gz OSQVEKZSECHEAP-DOMZBBRYSA-N 0 3 281.352 1.542 20 10 CDCDHN CCOCCOCC[NH2+]Cc1c([O-])cccc1OC ZINC000922940208 826854732 /nfs/dbraw/zinc/85/47/32/826854732.db2.gz BCDJKAVQWQZFOA-UHFFFAOYSA-N 0 3 269.341 1.544 20 10 CDCDHN CCn1nncc1CN[C@H](C)c1cccc(OC)c1O ZINC000858440629 826887962 /nfs/dbraw/zinc/88/79/62/826887962.db2.gz ZQOXAPWJTDTSQI-SNVBAGLBSA-N 0 3 276.340 1.863 20 10 CDCDHN O=C(NCc1ccccc1O)Nc1cnc2c(c1)CNCC2 ZINC000841321547 826988687 /nfs/dbraw/zinc/98/86/87/826988687.db2.gz KVZIUUGGOLREJL-UHFFFAOYSA-N 0 3 298.346 1.755 20 10 CDCDHN COC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000886852254 827066347 /nfs/dbraw/zinc/06/63/47/827066347.db2.gz CGIPYEXOTCPHFO-AWEZNQCLSA-N 0 3 291.395 1.991 20 10 CDCDHN CONC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000877786227 827093993 /nfs/dbraw/zinc/09/39/93/827093993.db2.gz AGCTUKUIYFGOBE-UHFFFAOYSA-N 0 3 294.351 1.290 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000877493422 827107360 /nfs/dbraw/zinc/10/73/60/827107360.db2.gz BELFOWUIEMUKBX-KBPBESRZSA-N 0 3 265.353 1.435 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966367 827568186 /nfs/dbraw/zinc/56/81/86/827568186.db2.gz MFTOTLTXEMLUPW-RKDXNWHRSA-N 0 3 252.314 1.177 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883269678 827706979 /nfs/dbraw/zinc/70/69/79/827706979.db2.gz SAPIOQPLFAIYGA-ZDUSSCGKSA-N 0 3 261.321 1.926 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(F)cc1[O-] ZINC000717368887 828064693 /nfs/dbraw/zinc/06/46/93/828064693.db2.gz ULRXMHIKVKZHEE-GXSJLCMTSA-N 0 3 256.321 1.104 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001204278084 916581956 /nfs/dbraw/zinc/58/19/56/916581956.db2.gz SMCAOEGDEBMCLJ-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001204278084 916581973 /nfs/dbraw/zinc/58/19/73/916581973.db2.gz SMCAOEGDEBMCLJ-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001203670398 920702401 /nfs/dbraw/zinc/70/24/01/920702401.db2.gz QODYHIZVCYYAED-YPMHNXCESA-N 0 3 255.289 1.306 20 10 CDCDHN Cc1c(O)ccc(CN2CCN(C3CC3)CC2)c1O ZINC001140742393 936748040 /nfs/dbraw/zinc/74/80/40/936748040.db2.gz MMULWKKMEHVPQE-UHFFFAOYSA-N 0 3 262.353 1.686 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000689527653 936761991 /nfs/dbraw/zinc/76/19/91/936761991.db2.gz XORMSSCBWDULOR-JTQLQIEISA-N 0 3 252.314 1.741 20 10 CDCDHN CN1CCOc2cc(CN3CCC(O)CC3)ccc21 ZINC001141139615 936819070 /nfs/dbraw/zinc/81/90/70/936819070.db2.gz ZDMMYUGHQIVQJJ-UHFFFAOYSA-N 0 3 262.353 1.472 20 10 CDCDHN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603379 937284893 /nfs/dbraw/zinc/28/48/93/937284893.db2.gz HVSOZVQCFFEXRG-NWDGAFQWSA-N 0 3 284.425 1.836 20 10 CDCDHN CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC001148219229 932670035 /nfs/dbraw/zinc/67/00/35/932670035.db2.gz XPCBDZLEXPAADU-TXEJJXNPSA-N 0 3 290.363 1.512 20 10 CDCDHN CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC001148219229 932670039 /nfs/dbraw/zinc/67/00/39/932670039.db2.gz XPCBDZLEXPAADU-TXEJJXNPSA-N 0 3 290.363 1.512 20 10 CDCDHN COc1ccc(CNC[C@@H](O)C(=O)OC(C)(C)C)cc1C ZINC001253706266 935855081 /nfs/dbraw/zinc/85/50/81/935855081.db2.gz LUXSXKCPBLHABO-CYBMUJFWSA-N 0 3 295.379 1.796 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c([O-])c1 ZINC001203621925 939697194 /nfs/dbraw/zinc/69/71/94/939697194.db2.gz KKHJDHJPABZMOR-UHFFFAOYSA-N 0 3 291.347 1.725 20 10 CDCDHN COc1ccc(CN2CCC3(CC(=O)CO3)CC2)c(O)c1 ZINC001203621925 939697196 /nfs/dbraw/zinc/69/71/96/939697196.db2.gz KKHJDHJPABZMOR-UHFFFAOYSA-N 0 3 291.347 1.725 20 10 CDCDHN O=C1NCC[C@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274005 939749825 /nfs/dbraw/zinc/74/98/25/939749825.db2.gz YEHUHMMRKHMOSB-HNNXBMFYSA-N 0 3 276.336 1.200 20 10 CDCDHN O=C1NCC[C@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274005 939749828 /nfs/dbraw/zinc/74/98/28/939749828.db2.gz YEHUHMMRKHMOSB-HNNXBMFYSA-N 0 3 276.336 1.200 20 10 CDCDHN COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001204347529 939759575 /nfs/dbraw/zinc/75/95/75/939759575.db2.gz VXZDKAIFRKKNPT-NEPJUHHUSA-N 0 3 279.336 1.575 20 10 CDCDHN [NH3+][C@H]1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001205117818 939825026 /nfs/dbraw/zinc/82/50/26/939825026.db2.gz WEPQTIVVSHGBSS-VIFPVBQESA-N 0 3 256.296 1.984 20 10 CDCDHN c1ccn(-c2ccc(-c3nnc([C@@H]4CNCCN4)o3)cc2)c1 ZINC001217700557 941006391 /nfs/dbraw/zinc/00/63/91/941006391.db2.gz HYPXSAIBBSJCKY-AWEZNQCLSA-N 0 3 295.346 1.761 20 10 CDCDHN CN1CC2(C1)CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233335679 943549220 /nfs/dbraw/zinc/54/92/20/943549220.db2.gz GRZSNLLZJQUTKY-UHFFFAOYSA-N 0 3 268.307 1.808 20 10 CDCDHN CN1CC2(C1)CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233335679 943549221 /nfs/dbraw/zinc/54/92/21/943549221.db2.gz GRZSNLLZJQUTKY-UHFFFAOYSA-N 0 3 268.307 1.808 20 10 CDCDHN Oc1cc(O)c(CN2C[C@H]3[C@H](CC3(F)F)C2)cc1O ZINC001233483019 943591603 /nfs/dbraw/zinc/59/16/03/943591603.db2.gz LJBPLVJNNZUFKU-BDAKNGLRSA-N 0 3 271.263 1.890 20 10 CDCDHN C[C@H]1C[C@H](O)CCN1Cc1cc(O)c(O)cc1O ZINC001233485929 943593654 /nfs/dbraw/zinc/59/36/54/943593654.db2.gz QLWFPBSRNSYAFN-WCBMZHEXSA-N 0 3 253.298 1.149 20 10 CDCDHN CCN1CCN(c2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC001234657781 943930477 /nfs/dbraw/zinc/93/04/77/943930477.db2.gz IDNRATIKPKIOTF-CYBMUJFWSA-N 0 3 292.379 1.769 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@H](C)C2)cc1OC ZINC001236751510 944558169 /nfs/dbraw/zinc/55/81/69/944558169.db2.gz GLPULYFPPGTEGA-LLVKDONJSA-N 0 3 280.368 1.545 20 10 CDCDHN CCOc1ccc(CN2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001237041107 944644424 /nfs/dbraw/zinc/64/44/24/944644424.db2.gz DWYJHFQYFJKLOX-UHFFFAOYSA-N 0 3 278.352 1.311 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(N)=O)CC1 ZINC001237482077 944809849 /nfs/dbraw/zinc/80/98/49/944809849.db2.gz JIGJQONHOVRIFT-UHFFFAOYSA-N 0 3 263.341 1.333 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001237484310 944810655 /nfs/dbraw/zinc/81/06/55/944810655.db2.gz BESBWUBCAISSLW-LSDHHAIUSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001237484310 944810661 /nfs/dbraw/zinc/81/06/61/944810661.db2.gz BESBWUBCAISSLW-LSDHHAIUSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001237485366 944811631 /nfs/dbraw/zinc/81/16/31/944811631.db2.gz OTWKHGINUWDBLS-TZMCWYRMSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001237485366 944811633 /nfs/dbraw/zinc/81/16/33/944811633.db2.gz OTWKHGINUWDBLS-TZMCWYRMSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1[O-] ZINC001237681406 944923489 /nfs/dbraw/zinc/92/34/89/944923489.db2.gz PEONFTIKHJEVQA-HIFRSBDPSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1[O-] ZINC001237681406 944923499 /nfs/dbraw/zinc/92/34/99/944923499.db2.gz PEONFTIKHJEVQA-HIFRSBDPSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CO)c1[O-] ZINC001237679712 944923734 /nfs/dbraw/zinc/92/37/34/944923734.db2.gz LBAUYZPQOWPCNY-NSHDSACASA-N 0 3 259.733 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)CO)c1[O-] ZINC001237679712 944923739 /nfs/dbraw/zinc/92/37/39/944923739.db2.gz LBAUYZPQOWPCNY-NSHDSACASA-N 0 3 259.733 1.139 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001249177589 949441206 /nfs/dbraw/zinc/44/12/06/949441206.db2.gz FHCSLUWFQICCCJ-NSHDSACASA-N 0 3 263.337 1.950 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001249177589 949441216 /nfs/dbraw/zinc/44/12/16/949441216.db2.gz FHCSLUWFQICCCJ-NSHDSACASA-N 0 3 263.337 1.950 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c([O-])c1 ZINC001308801936 956581615 /nfs/dbraw/zinc/58/16/15/956581615.db2.gz GOKSILNIYVGHLF-HNNXBMFYSA-N 0 3 278.352 1.468 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC001308858365 956588833 /nfs/dbraw/zinc/58/88/33/956588833.db2.gz CVRRSHKXESYLSZ-LRDDRELGSA-N 0 3 295.379 1.850 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CF)C1)[C@@H](O)CO2 ZINC001331021320 956767770 /nfs/dbraw/zinc/76/77/70/956767770.db2.gz JOUYLQPDQUXARO-HZMBPMFUSA-N 0 3 281.327 2.000 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CF)C1)[C@@H](O)CO2 ZINC001331021320 956767778 /nfs/dbraw/zinc/76/77/78/956767778.db2.gz JOUYLQPDQUXARO-HZMBPMFUSA-N 0 3 281.327 2.000 20 10 CDCDHN COc1cccc(O)c1CN[C@@H](CO)CC(F)(F)F ZINC001331961662 957365907 /nfs/dbraw/zinc/36/59/07/957365907.db2.gz YMYODRLDLMPCPG-MRVPVSSYSA-N 0 3 279.258 1.804 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751570 356528179 /nfs/dbraw/zinc/52/81/79/356528179.db2.gz JZTVVNYNPUCEAD-SNVBAGLBSA-N 0 3 266.341 1.530 20 10 CDCDHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000077458051 356957300 /nfs/dbraw/zinc/95/73/00/356957300.db2.gz QLPZILQWGLVOHX-CHWSQXEVSA-N 0 3 283.393 1.838 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000185365715 357536526 /nfs/dbraw/zinc/53/65/26/357536526.db2.gz ZUXPYOCBWWVITQ-GJZGRUSLSA-N 0 3 291.439 1.987 20 10 CDCDHN CCOc1cccc(CNCc2n[nH]c(CC)n2)c1O ZINC000296022078 357595424 /nfs/dbraw/zinc/59/54/24/357595424.db2.gz MNEYTFUQOWTLRB-UHFFFAOYSA-N 0 3 276.340 1.761 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1CCO)OCO2 ZINC000189932992 358046116 /nfs/dbraw/zinc/04/61/16/358046116.db2.gz BBTNVYOUJFVZQZ-CMPLNLGQSA-N 0 3 279.336 1.762 20 10 CDCDHN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000092096414 358537947 /nfs/dbraw/zinc/53/79/47/358537947.db2.gz DNBHLMKNHNCJEZ-CQSZACIVSA-N 0 3 261.369 1.463 20 10 CDCDHN CC(C)C(=O)NCCN(C)Cc1ccc(N(C)C)cc1 ZINC000092103551 358538405 /nfs/dbraw/zinc/53/84/05/358538405.db2.gz HUKXEBUWDGCWCY-UHFFFAOYSA-N 0 3 277.412 1.957 20 10 CDCDHN Cc1cccc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000124797483 360400589 /nfs/dbraw/zinc/40/05/89/360400589.db2.gz VAEOEGIIYKDJEU-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN CCNC(=O)[C@@H](NCc1cc(OC)ccc1O)C(C)C ZINC000293685774 370747549 /nfs/dbraw/zinc/74/75/49/370747549.db2.gz QEVAACQJJHGEHS-AWEZNQCLSA-N 0 3 280.368 1.651 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])C(C)C ZINC000293685774 370747557 /nfs/dbraw/zinc/74/75/57/370747557.db2.gz QEVAACQJJHGEHS-AWEZNQCLSA-N 0 3 280.368 1.651 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271277873 364979659 /nfs/dbraw/zinc/97/96/59/364979659.db2.gz OUUSADQMXYOIEU-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271277873 364979664 /nfs/dbraw/zinc/97/96/64/364979664.db2.gz OUUSADQMXYOIEU-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(F)ccc1[O-] ZINC000273405887 365492397 /nfs/dbraw/zinc/49/23/97/365492397.db2.gz OJWPFFJYTBWPHU-DGCLKSJQSA-N 0 3 282.359 1.639 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000293894620 370847189 /nfs/dbraw/zinc/84/71/89/370847189.db2.gz KPDACCZOWCJGME-NEPJUHHUSA-N 0 3 255.289 1.161 20 10 CDCDHN CCN(C[C@H](O)CN(C)C1CC1)c1ccc(OC)cc1 ZINC000289299317 369540227 /nfs/dbraw/zinc/54/02/27/369540227.db2.gz CHWRDSNGLHHIDJ-OAHLLOKOSA-N 0 3 278.396 1.977 20 10 CDCDHN COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294113385 371355205 /nfs/dbraw/zinc/35/52/05/371355205.db2.gz CZQDCFSUFPYJTP-OAHLLOKOSA-N 0 3 279.336 1.979 20 10 CDCDHN COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294113385 371355208 /nfs/dbraw/zinc/35/52/08/371355208.db2.gz CZQDCFSUFPYJTP-OAHLLOKOSA-N 0 3 279.336 1.979 20 10 CDCDHN CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000134230800 375620253 /nfs/dbraw/zinc/62/02/53/375620253.db2.gz REPUGCCIHDYZQO-MNOVXSKESA-N 0 3 250.342 1.785 20 10 CDCDHN CCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCNC1=O ZINC000294047854 378621795 /nfs/dbraw/zinc/62/17/95/378621795.db2.gz JEEXVQIQPQDGNI-HNNXBMFYSA-N 0 3 275.396 1.771 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(CC)CC ZINC000269095678 391239093 /nfs/dbraw/zinc/23/90/93/391239093.db2.gz MRFOEUVXYSYUKF-LBPRGKRZSA-N 0 3 280.368 1.834 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000183379016 391263448 /nfs/dbraw/zinc/26/34/48/391263448.db2.gz FCEKHJUVPOAVCC-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000183379016 391263457 /nfs/dbraw/zinc/26/34/57/391263457.db2.gz FCEKHJUVPOAVCC-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O ZINC000193682007 391344101 /nfs/dbraw/zinc/34/41/01/391344101.db2.gz REFZCPCITHNIOL-BXKDBHETSA-N 0 3 264.325 1.015 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)N(C)CC)c1O ZINC000188482941 391438098 /nfs/dbraw/zinc/43/80/98/391438098.db2.gz XVSYMIAAOHTXQO-NSHDSACASA-N 0 3 280.368 1.747 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccccc1[O-] ZINC000020128399 171015201 /nfs/dbraw/zinc/01/52/01/171015201.db2.gz XUMAYFVUUAQTHJ-AWEZNQCLSA-N 0 3 277.412 1.680 20 10 CDCDHN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1 ZINC000038029448 174020209 /nfs/dbraw/zinc/02/02/09/174020209.db2.gz KAWPQUDYKCAXGW-ZDUSSCGKSA-N 0 3 275.396 1.802 20 10 CDCDHN C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1[O-] ZINC000038047287 174056443 /nfs/dbraw/zinc/05/64/43/174056443.db2.gz OSPJAYBJUMPLOZ-JTQLQIEISA-N 0 3 257.355 1.478 20 10 CDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000155674839 261105942 /nfs/dbraw/zinc/10/59/42/261105942.db2.gz FGPGNGLXUGDNDR-HZMBPMFUSA-N 0 3 281.375 1.881 20 10 CDCDHN CC(C)N(C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156729456 261130850 /nfs/dbraw/zinc/13/08/50/261130850.db2.gz YJHQPDUICQLESI-UHFFFAOYSA-N 0 3 266.341 1.097 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)COC2)c([O-])c1 ZINC000186146392 262081753 /nfs/dbraw/zinc/08/17/53/262081753.db2.gz MPURDGGPWWBGDB-NSHDSACASA-N 0 3 251.326 1.360 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1 ZINC000186221576 262084629 /nfs/dbraw/zinc/08/46/29/262084629.db2.gz RVWLMTIYHBAQSD-JTQLQIEISA-N 0 3 250.342 1.863 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186224135 262312186 /nfs/dbraw/zinc/31/21/86/262312186.db2.gz BMWVUPAEVMLQPD-SECBINFHSA-N 0 3 268.332 1.954 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cccc(OC)c1O ZINC000188496477 264006402 /nfs/dbraw/zinc/00/64/02/264006402.db2.gz GWHCBKPIHGQPBT-JTQLQIEISA-N 0 3 266.341 1.357 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000129639866 264329728 /nfs/dbraw/zinc/32/97/28/264329728.db2.gz HCCBTFYDJBENHY-QWHCGFSZSA-N 0 3 251.326 1.650 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)cc1OC ZINC000271811175 328197599 /nfs/dbraw/zinc/19/75/99/328197599.db2.gz KUBNBDIFRWDNJB-MNOVXSKESA-N 0 3 281.352 1.924 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(O)c1O ZINC000272914734 328201569 /nfs/dbraw/zinc/20/15/69/328201569.db2.gz DNEFWWWWXSZIFO-AAEUAGOBSA-N 0 3 290.363 1.572 20 10 CDCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(F)CCNC1 ZINC000178711221 329202801 /nfs/dbraw/zinc/20/28/01/329202801.db2.gz HHHDNSIHSLHGKM-MRXNPFEDSA-N 0 3 291.370 1.605 20 10 CDCDHN CCCOc1ccc(C[NH2+]CC2(O)CCOCC2)c([O-])c1 ZINC000236809651 520366759 /nfs/dbraw/zinc/36/67/59/520366759.db2.gz DJQDRFKTMFXDLU-UHFFFAOYSA-N 0 3 295.379 1.812 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000277468523 521653283 /nfs/dbraw/zinc/65/32/83/521653283.db2.gz CASCQCSACSDTJD-UHFFFAOYSA-N 0 3 281.352 1.420 20 10 CDCDHN CC[C@H](CCO)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000094949345 522143212 /nfs/dbraw/zinc/14/32/12/522143212.db2.gz YHOQPMUPQYNYFR-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1OC ZINC000280307220 522778154 /nfs/dbraw/zinc/77/81/54/522778154.db2.gz PIPTZEUXFBGCNL-OAHLLOKOSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1OC ZINC000280307220 522778164 /nfs/dbraw/zinc/77/81/64/522778164.db2.gz PIPTZEUXFBGCNL-OAHLLOKOSA-N 0 3 294.351 1.107 20 10 CDCDHN COCCN(C)CCCNC(=O)NCc1ccccc1O ZINC000299542051 523579419 /nfs/dbraw/zinc/57/94/19/523579419.db2.gz VSNJHTALBWTMCT-UHFFFAOYSA-N 0 3 295.383 1.160 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000364972809 524744891 /nfs/dbraw/zinc/74/48/91/524744891.db2.gz LMVKYLSWDGQPGL-ZBINZKHDSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037156904 524755754 /nfs/dbraw/zinc/75/57/54/524755754.db2.gz WDYMTPYTINUPLL-LLVKDONJSA-N 0 3 261.325 1.776 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800744 524763530 /nfs/dbraw/zinc/76/35/30/524763530.db2.gz VMARKXLLIVRCGL-OLZOCXBDSA-N 0 3 293.411 1.297 20 10 CDCDHN C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000094617773 525345335 /nfs/dbraw/zinc/34/53/35/525345335.db2.gz IHRNYISFHHXZJQ-VIFPVBQESA-N 0 3 275.345 1.617 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800934 525364431 /nfs/dbraw/zinc/36/44/31/525364431.db2.gz ROCNVGCTTHTGLE-UONOGXRCSA-N 0 3 277.412 1.597 20 10 CDCDHN Cc1cn[nH]c1CNCc1ccc(N2CCOCC2)cc1 ZINC000289783549 526031707 /nfs/dbraw/zinc/03/17/07/526031707.db2.gz HGRAGGBDYKFTNM-UHFFFAOYSA-N 0 3 286.379 1.845 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278375603 526338125 /nfs/dbraw/zinc/33/81/25/526338125.db2.gz LDUNBEABWGCGJP-IRXDYDNUSA-N 0 3 285.343 1.597 20 10 CDCDHN C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732290440 575087290 /nfs/dbraw/zinc/08/72/90/575087290.db2.gz PQDHIXZRGLLQTN-VIFPVBQESA-N 0 3 254.355 1.525 20 10 CDCDHN C[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732290440 575087291 /nfs/dbraw/zinc/08/72/91/575087291.db2.gz PQDHIXZRGLLQTN-VIFPVBQESA-N 0 3 254.355 1.525 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000734163186 575161040 /nfs/dbraw/zinc/16/10/40/575161040.db2.gz BMGDDTWMELNBBN-GFCCVEGCSA-N 0 3 251.326 1.651 20 10 CDCDHN COc1cccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1O ZINC000769507248 575353854 /nfs/dbraw/zinc/35/38/54/575353854.db2.gz BEGUJVRWRDVEOZ-TXEJJXNPSA-N 0 3 292.379 1.890 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000769524318 575356683 /nfs/dbraw/zinc/35/66/83/575356683.db2.gz LHXGWJQYSZIFEU-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000769524318 575356685 /nfs/dbraw/zinc/35/66/85/575356685.db2.gz LHXGWJQYSZIFEU-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441231 576283638 /nfs/dbraw/zinc/28/36/38/576283638.db2.gz XLFQGRWVQNSLNP-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN CC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441231 576283639 /nfs/dbraw/zinc/28/36/39/576283639.db2.gz XLFQGRWVQNSLNP-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cccc(C)c2[O-])CCOC1 ZINC000768531945 576293650 /nfs/dbraw/zinc/29/36/50/576293650.db2.gz BZUWIVYTUGGCAD-OAHLLOKOSA-N 0 3 279.336 1.512 20 10 CDCDHN COC(=O)C[C@]1(NCc2cccc(C)c2O)CCOC1 ZINC000768531945 576293654 /nfs/dbraw/zinc/29/36/54/576293654.db2.gz BZUWIVYTUGGCAD-OAHLLOKOSA-N 0 3 279.336 1.512 20 10 CDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1O ZINC000769365139 576348756 /nfs/dbraw/zinc/34/87/56/576348756.db2.gz NGVMZBUNRDBKAJ-VXGBXAGGSA-N 0 3 262.353 1.881 20 10 CDCDHN COc1cccc(O)c1CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000754153495 576882586 /nfs/dbraw/zinc/88/25/86/576882586.db2.gz JCPZXOMCQDRDDH-OKILXGFUSA-N 0 3 267.325 1.246 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000756554563 576995458 /nfs/dbraw/zinc/99/54/58/576995458.db2.gz IIPNLLLUEPQFPK-IUODEOHRSA-N 0 3 292.423 1.844 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)CC(F)F)c([O-])c1 ZINC000758613851 577122293 /nfs/dbraw/zinc/12/22/93/577122293.db2.gz NZOUGGPFXZMGFD-JTQLQIEISA-N 0 3 275.295 1.897 20 10 CDCDHN COc1ccc(C[N@H+](C)[C@@H](C)CCO)c([O-])c1OC ZINC000895186784 619440034 /nfs/dbraw/zinc/44/00/34/619440034.db2.gz XOBYTALUJDWCTI-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN COc1ccc(C[N@@H+](C)[C@@H](C)CCO)c([O-])c1OC ZINC000895186784 619440036 /nfs/dbraw/zinc/44/00/36/619440036.db2.gz XOBYTALUJDWCTI-JTQLQIEISA-N 0 3 269.341 1.612 20 10 CDCDHN CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001576384289 1171408802 /nfs/dbraw/zinc/40/88/02/1171408802.db2.gz PQCDXZGRZDPKSR-HONMWMINSA-N 0 3 290.363 1.604 20 10 CDCDHN Cc1cc([O-])c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC001579638504 1172231479 /nfs/dbraw/zinc/23/14/79/1172231479.db2.gz ZTVMHHSFQFLUMJ-QMTHXVAHSA-N 0 3 284.787 1.902 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(C(N)=O)CCCC1 ZINC000877149642 833316456 /nfs/dbraw/zinc/31/64/56/833316456.db2.gz FIQIBMWBWZEYGQ-UHFFFAOYSA-N 0 3 262.353 1.836 20 10 CDCDHN C[C@@H]([NH2+]CCNc1cnccn1)c1ccccc1[O-] ZINC000783521419 833323255 /nfs/dbraw/zinc/32/32/55/833323255.db2.gz XEGXTQFVGZVAEE-LLVKDONJSA-N 0 3 258.325 1.945 20 10 CDCDHN COc1ccc(CNC(=O)[C@H](N)CCSC)c(O)c1 ZINC000832177612 833348649 /nfs/dbraw/zinc/34/86/49/833348649.db2.gz BVSWBPDVWLYKBR-LLVKDONJSA-N 0 3 284.381 1.097 20 10 CDCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1C ZINC000775984365 833348960 /nfs/dbraw/zinc/34/89/60/833348960.db2.gz FUSZPIQYURAGBF-QWRGUYRKSA-N 0 3 278.352 1.645 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](C)CCO ZINC000824515022 829194201 /nfs/dbraw/zinc/19/42/01/829194201.db2.gz CTMJCXIAHLFXJT-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000866684441 833391122 /nfs/dbraw/zinc/39/11/22/833391122.db2.gz YVFBBWXHCXSFBF-QPUJVOFHSA-N 0 3 266.316 1.655 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)CCCOC)c([O-])c1 ZINC000783731142 833406480 /nfs/dbraw/zinc/40/64/80/833406480.db2.gz YITJZHFPHZQZPW-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)CCCOC)c([O-])c1 ZINC000783731142 833406484 /nfs/dbraw/zinc/40/64/84/833406484.db2.gz YITJZHFPHZQZPW-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1(C)COC1 ZINC000863296486 829444637 /nfs/dbraw/zinc/44/46/37/829444637.db2.gz MUGQHTAVYPRZBC-CYBMUJFWSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1(C)COC1 ZINC000863296486 829444701 /nfs/dbraw/zinc/44/47/01/829444701.db2.gz MUGQHTAVYPRZBC-CYBMUJFWSA-N 0 3 279.336 1.286 20 10 CDCDHN COc1cc(O)c(CNC[C@@H](O)C(F)(F)F)cc1OC ZINC000792191978 833585702 /nfs/dbraw/zinc/58/57/02/833585702.db2.gz HGEIZDYHLVGXEQ-LLVKDONJSA-N 0 3 295.257 1.422 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)c(O)c1 ZINC000794378004 830087850 /nfs/dbraw/zinc/08/78/50/830087850.db2.gz SJMQIAPBHIFTLO-CQSZACIVSA-N 0 3 280.368 1.603 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1cc(OCC)ccc1O ZINC000835074036 830265901 /nfs/dbraw/zinc/26/59/01/830265901.db2.gz FUACOYYCANSVMD-UHFFFAOYSA-N 0 3 280.368 1.795 20 10 CDCDHN CCc1cccc(CNCCS(=O)(=O)C2CC2)c1O ZINC000848917173 830313426 /nfs/dbraw/zinc/31/34/26/830313426.db2.gz PONVPJIBEMEOCL-UHFFFAOYSA-N 0 3 283.393 1.621 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@H](C)[C@@H]2C)cc1OC ZINC000775986684 833702129 /nfs/dbraw/zinc/70/21/29/833702129.db2.gz RYAPJMKSKNWKML-NEPJUHHUSA-N 0 3 294.395 1.934 20 10 CDCDHN CCCN(CC(=O)NCC)Cc1ccccc1O ZINC000174374333 832357947 /nfs/dbraw/zinc/35/79/47/832357947.db2.gz XIUKBDCFOQHRGB-UHFFFAOYSA-N 0 3 250.342 1.740 20 10 CDCDHN CC(C)[N@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000228736174 832385534 /nfs/dbraw/zinc/38/55/34/832385534.db2.gz FELGVMWPLQESBF-UHFFFAOYSA-N 0 3 266.341 1.558 20 10 CDCDHN CC(C)[N@@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000228736174 832385543 /nfs/dbraw/zinc/38/55/43/832385543.db2.gz FELGVMWPLQESBF-UHFFFAOYSA-N 0 3 266.341 1.558 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000130416377 833845223 /nfs/dbraw/zinc/84/52/23/833845223.db2.gz SSTJYTLHXFVYRX-CYBMUJFWSA-N 0 3 261.369 1.423 20 10 CDCDHN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)c(O)c1 ZINC000877326282 832587804 /nfs/dbraw/zinc/58/78/04/832587804.db2.gz VRAVKTMQJYERJF-DIFFPNOSSA-N 0 3 255.383 1.899 20 10 CDCDHN CCN1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000722350744 832614088 /nfs/dbraw/zinc/61/40/88/832614088.db2.gz GYNQWUKRULXPPM-LBPRGKRZSA-N 0 3 266.316 1.632 20 10 CDCDHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000776811617 832622487 /nfs/dbraw/zinc/62/24/87/832622487.db2.gz BGDXFKKIPGENAK-ZFWWWQNUSA-N 0 3 281.352 1.302 20 10 CDCDHN CON1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000709372969 833978797 /nfs/dbraw/zinc/97/87/97/833978797.db2.gz FMWODMJPFDDIJA-CYBMUJFWSA-N 0 3 262.353 1.995 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN(C)CC(C)(C)C)c1 ZINC000821064540 832785040 /nfs/dbraw/zinc/78/50/40/832785040.db2.gz CXOYGHUOVQKNIC-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000825278768 832791602 /nfs/dbraw/zinc/79/16/02/832791602.db2.gz IFYBRTVCYDAXLK-ZDUSSCGKSA-N 0 3 277.368 1.628 20 10 CDCDHN CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000825278768 832791613 /nfs/dbraw/zinc/79/16/13/832791613.db2.gz IFYBRTVCYDAXLK-ZDUSSCGKSA-N 0 3 277.368 1.628 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877591391 832813687 /nfs/dbraw/zinc/81/36/87/832813687.db2.gz CZVCOMZRGKCXPB-UHFFFAOYSA-N 0 3 277.368 1.594 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCNCC2)c1 ZINC000817935102 832889358 /nfs/dbraw/zinc/88/93/58/832889358.db2.gz GNCYGQMPGRNBET-SNVBAGLBSA-N 0 3 278.352 1.581 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC2CC(O)C2)c([O-])c1 ZINC000785984242 833774371 /nfs/dbraw/zinc/77/43/71/833774371.db2.gz KLWLTEHBWNPETQ-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC2CC(O)C2)c([O-])c1 ZINC000785984242 833774397 /nfs/dbraw/zinc/77/43/97/833774397.db2.gz KLWLTEHBWNPETQ-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN Cc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)c([O-])c1 ZINC000877360865 833871469 /nfs/dbraw/zinc/87/14/69/833871469.db2.gz OKPLGTJMYFGYFY-UHFFFAOYSA-N 0 3 278.396 1.637 20 10 CDCDHN COCC(COC)NCc1ccc(N2CCOCC2)cc1 ZINC000388505732 834068821 /nfs/dbraw/zinc/06/88/21/834068821.db2.gz OJEZHSKIPBHQMM-UHFFFAOYSA-N 0 3 294.395 1.274 20 10 CDCDHN COCCCN(C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877071497 834562145 /nfs/dbraw/zinc/56/21/45/834562145.db2.gz PTCYYXZKADBEQJ-UHFFFAOYSA-N 0 3 266.385 1.759 20 10 CDCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])NCc1ccccc1 ZINC000226588613 834848643 /nfs/dbraw/zinc/84/86/43/834848643.db2.gz RMJMLEZFXDMZSH-UHFFFAOYSA-N 0 3 288.322 1.937 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C[NH3+])c1[O-] ZINC000843350102 834877996 /nfs/dbraw/zinc/87/79/96/834877996.db2.gz KDYHGBBFTBKPHP-QMMMGPOBSA-N 0 3 254.305 1.513 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000840973323 834881201 /nfs/dbraw/zinc/88/12/01/834881201.db2.gz ISXFVCWJXFUZHO-UHFFFAOYSA-N 0 3 275.345 1.446 20 10 CDCDHN CCN(CC)C(=O)CNCc1cc(OC)ccc1O ZINC000135763345 834895243 /nfs/dbraw/zinc/89/52/43/834895243.db2.gz NBMVRHVMDIHIMU-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000877044354 834926992 /nfs/dbraw/zinc/92/69/92/834926992.db2.gz ZLOOIHFFTIBJDK-HNNXBMFYSA-N 0 3 265.353 1.578 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000827700010 835030880 /nfs/dbraw/zinc/03/08/80/835030880.db2.gz NXJGWVWPNUUKOU-ABAIWWIYSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000827700010 835030888 /nfs/dbraw/zinc/03/08/88/835030888.db2.gz NXJGWVWPNUUKOU-ABAIWWIYSA-N 0 3 265.353 1.851 20 10 CDCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000824708932 835373758 /nfs/dbraw/zinc/37/37/58/835373758.db2.gz LJIZBGPVLVVOQP-YGRLFVJLSA-N 0 3 269.316 1.672 20 10 CDCDHN Cc1ccc(C[NH2+]CCCS(C)(=O)=O)c([O-])c1 ZINC000877017647 835563643 /nfs/dbraw/zinc/56/36/43/835563643.db2.gz VODIXVBOMQNAOK-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN COCOCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001209023372 894424948 /nfs/dbraw/zinc/42/49/48/894424948.db2.gz LDVMFLLRCKVQRD-UHFFFAOYSA-N 0 3 294.395 1.828 20 10 CDCDHN CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3C[C@H]2CN(C)C3)cc1 ZINC001270932348 905458510 /nfs/dbraw/zinc/45/85/10/905458510.db2.gz MLYCCEFRNBDBNO-QDTKCAEZSA-N 0 3 299.418 1.928 20 10 CDCDHN COc1cc(CN(C)CC(C)=O)cc(CN(C)C)c1O ZINC001139254345 936611885 /nfs/dbraw/zinc/61/18/85/936611885.db2.gz HLPAIFRKQKQFEX-UHFFFAOYSA-N 0 3 280.368 1.483 20 10 CDCDHN CCN1CCN(Cc2c(O)cc(OC)cc2OC)[C@H](C)C1 ZINC001141032986 936796090 /nfs/dbraw/zinc/79/60/90/936796090.db2.gz VXVRTKVUNJJSJG-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001168987238 927621829 /nfs/dbraw/zinc/62/18/29/927621829.db2.gz HRMHATOHZADLSH-MWLCHTKSSA-N 0 3 266.297 1.633 20 10 CDCDHN O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000694592637 937259719 /nfs/dbraw/zinc/25/97/19/937259719.db2.gz ZTLCXOYKHXYDSE-LBPRGKRZSA-N 0 3 269.366 1.449 20 10 CDCDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccccc1O ZINC000400752422 937261076 /nfs/dbraw/zinc/26/10/76/937261076.db2.gz DHFCBDDCRXEHCG-JQWIXIFHSA-N 0 3 250.342 1.772 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000857061809 928658303 /nfs/dbraw/zinc/65/83/03/928658303.db2.gz VWWHBBRYWXVRRV-PWSUYJOCSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000857061809 928658308 /nfs/dbraw/zinc/65/83/08/928658308.db2.gz VWWHBBRYWXVRRV-PWSUYJOCSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264619 937916722 /nfs/dbraw/zinc/91/67/22/937916722.db2.gz TWLHJYZSFZWDSX-GRYCIOLGSA-N 0 3 261.369 1.409 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001203562212 939693448 /nfs/dbraw/zinc/69/34/48/939693448.db2.gz FHKTYFSEVCLKMI-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001203562212 939693450 /nfs/dbraw/zinc/69/34/50/939693450.db2.gz FHKTYFSEVCLKMI-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN COc1ccc(C[N@H+](C)CCC2OCCO2)c([O-])c1 ZINC001203628807 939697745 /nfs/dbraw/zinc/69/77/45/939697745.db2.gz ITNFAFPOKQWMMH-UHFFFAOYSA-N 0 3 267.325 1.596 20 10 CDCDHN COc1ccc(C[N@@H+](C)CCC2OCCO2)c([O-])c1 ZINC001203628807 939697747 /nfs/dbraw/zinc/69/77/47/939697747.db2.gz ITNFAFPOKQWMMH-UHFFFAOYSA-N 0 3 267.325 1.596 20 10 CDCDHN C[C@H]1CN(Cc2ccc(O)c(O)c2)CC[C@@]1(C)O ZINC001203875204 939710590 /nfs/dbraw/zinc/71/05/90/939710590.db2.gz KFXPEYZXWLRUSX-IINYFYTJSA-N 0 3 251.326 1.691 20 10 CDCDHN COC[C@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204342173 939757689 /nfs/dbraw/zinc/75/76/89/939757689.db2.gz JKVKLZGXNXTSRN-JTQLQIEISA-N 0 3 267.325 1.575 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c([O-])cccc1F ZINC001277488854 942792961 /nfs/dbraw/zinc/79/29/61/942792961.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N 0 3 278.327 1.584 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c([O-])cccc1F ZINC001277488854 942792964 /nfs/dbraw/zinc/79/29/64/942792964.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N 0 3 278.327 1.584 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1c(O)cccc1F ZINC001277488854 942792970 /nfs/dbraw/zinc/79/29/70/942792970.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N 0 3 278.327 1.584 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231851231 943028114 /nfs/dbraw/zinc/02/81/14/943028114.db2.gz ALYJIPGLJGKVNI-ZDUSSCGKSA-N 0 3 292.379 1.756 20 10 CDCDHN CN(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001232835289 943414200 /nfs/dbraw/zinc/41/42/00/943414200.db2.gz AAPQRDIDAIZACJ-MRXNPFEDSA-N 0 3 292.379 1.450 20 10 CDCDHN CCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485777 943594112 /nfs/dbraw/zinc/59/41/12/943594112.db2.gz KKNHJKLWGQBFBQ-UHFFFAOYSA-N 0 3 266.341 1.331 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236814471 944578820 /nfs/dbraw/zinc/57/88/20/944578820.db2.gz RXQGBISVGABUNB-SNVBAGLBSA-N 0 3 264.325 1.016 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236814471 944578826 /nfs/dbraw/zinc/57/88/26/944578826.db2.gz RXQGBISVGABUNB-SNVBAGLBSA-N 0 3 264.325 1.016 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861415 948486883 /nfs/dbraw/zinc/48/68/83/948486883.db2.gz JRECCTYUBQCKRN-KBPBESRZSA-N 0 3 292.379 1.508 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861415 948486887 /nfs/dbraw/zinc/48/68/87/948486887.db2.gz JRECCTYUBQCKRN-KBPBESRZSA-N 0 3 292.379 1.508 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1 ZINC001249201286 949455862 /nfs/dbraw/zinc/45/58/62/949455862.db2.gz MWEQJLHTMFWOLY-UHFFFAOYSA-N 0 3 293.363 1.576 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1 ZINC001249201286 949455879 /nfs/dbraw/zinc/45/58/79/949455879.db2.gz MWEQJLHTMFWOLY-UHFFFAOYSA-N 0 3 293.363 1.576 20 10 CDCDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N)cc1 ZINC001335726021 959992467 /nfs/dbraw/zinc/99/24/67/959992467.db2.gz QLTPPARSBUSOBT-UHFFFAOYSA-N 0 3 278.400 1.750 20 10 CDCDHN C[NH2+]C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC001341012157 963238583 /nfs/dbraw/zinc/23/85/83/963238583.db2.gz QWHJVPNMQZDUSS-UHFFFAOYSA-N 0 3 252.289 1.290 20 10 CDCDHN CC[C@@]1(C(=O)NCc2c([O-])cccc2F)CC[NH2+]C1 ZINC001342538298 963760951 /nfs/dbraw/zinc/76/09/51/963760951.db2.gz XCPMFMCOFJSUCF-CQSZACIVSA-N 0 3 266.316 1.537 20 10 CDCDHN C[C@H](NC(=O)NCc1ccc(N)cc1)C1=CCN(C)CC1 ZINC001346405030 965086437 /nfs/dbraw/zinc/08/64/37/965086437.db2.gz HHSHVSQEJFQSQP-LBPRGKRZSA-N 0 3 288.395 1.718 20 10 CDCDHN CN(C)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000219452605 344888857 /nfs/dbraw/zinc/88/88/57/344888857.db2.gz BEXHIIGVTKMTAS-NSHDSACASA-N 0 3 262.275 1.765 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000295124825 199358394 /nfs/dbraw/zinc/35/83/94/199358394.db2.gz NTJALKXLKREAJP-OAHLLOKOSA-N 0 3 278.396 1.637 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000180700971 357284399 /nfs/dbraw/zinc/28/43/99/357284399.db2.gz BTRVKVHHTNWENO-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000180700971 357284404 /nfs/dbraw/zinc/28/44/04/357284404.db2.gz BTRVKVHHTNWENO-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180219476 357252114 /nfs/dbraw/zinc/25/21/14/357252114.db2.gz MHZMQPBLDSWFMU-LLVKDONJSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180219476 357252116 /nfs/dbraw/zinc/25/21/16/357252116.db2.gz MHZMQPBLDSWFMU-LLVKDONJSA-N 0 3 278.352 1.359 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000294911968 199243658 /nfs/dbraw/zinc/24/36/58/199243658.db2.gz WOAFGCRPZUIHNT-SWLSCSKDSA-N 0 3 265.353 1.811 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000253087727 370215306 /nfs/dbraw/zinc/21/53/06/370215306.db2.gz DLSIPVMDNBRKSP-MNOVXSKESA-N 0 3 276.336 1.454 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000253087727 370215307 /nfs/dbraw/zinc/21/53/07/370215307.db2.gz DLSIPVMDNBRKSP-MNOVXSKESA-N 0 3 276.336 1.454 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000295178932 371140961 /nfs/dbraw/zinc/14/09/61/371140961.db2.gz VKDYNBORGWEQDC-ZDUSSCGKSA-N 0 3 294.351 1.673 20 10 CDCDHN CC(=O)N1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000194157022 375914766 /nfs/dbraw/zinc/91/47/66/375914766.db2.gz GORBFUWTZAMBJU-UHFFFAOYSA-N 0 3 275.396 1.807 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000186146080 262081942 /nfs/dbraw/zinc/08/19/42/262081942.db2.gz SCSKEVNJIATUIE-LLVKDONJSA-N 0 3 251.326 1.360 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@H]2CO)cc1F ZINC000119387072 390847342 /nfs/dbraw/zinc/84/73/42/390847342.db2.gz KKLHHVUXPDVPAC-GFCCVEGCSA-N 0 3 252.333 1.848 20 10 CDCDHN C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000176237074 391149472 /nfs/dbraw/zinc/14/94/72/391149472.db2.gz YBJCBJQCZWPNAC-UHFFFAOYSA-N 0 3 276.296 1.629 20 10 CDCDHN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000176237074 391149474 /nfs/dbraw/zinc/14/94/74/391149474.db2.gz YBJCBJQCZWPNAC-UHFFFAOYSA-N 0 3 276.296 1.629 20 10 CDCDHN Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)c([O-])c1O ZINC000177660102 391173809 /nfs/dbraw/zinc/17/38/09/391173809.db2.gz HJWLFJAYMYKKJN-UHFFFAOYSA-N 0 3 280.368 1.724 20 10 CDCDHN CC(=O)N1CCCN(Cc2cccc(C)c2O)CC1 ZINC000124522700 391218487 /nfs/dbraw/zinc/21/84/87/391218487.db2.gz PWJFWZDELNKZAV-UHFFFAOYSA-N 0 3 262.353 1.755 20 10 CDCDHN Oc1cc2c(cc1CN1CCC(O)CC1)OCO2 ZINC000007142049 170268542 /nfs/dbraw/zinc/26/85/42/170268542.db2.gz AQSRXCWEVWJOCB-UHFFFAOYSA-N 0 3 251.282 1.078 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000186475783 262094847 /nfs/dbraw/zinc/09/48/47/262094847.db2.gz KGZJLFYJKCRWCB-LBPRGKRZSA-N 0 3 282.315 1.852 20 10 CDCDHN COc1cccc(CN(CC(N)=O)CC(C)C)c1O ZINC000132901691 278009987 /nfs/dbraw/zinc/00/99/87/278009987.db2.gz HMWYNFMKMCRTRR-UHFFFAOYSA-N 0 3 266.341 1.344 20 10 CDCDHN CC[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366332196 280872522 /nfs/dbraw/zinc/87/25/22/280872522.db2.gz YDGJJKGVJCYRTJ-HNNXBMFYSA-N 0 3 291.395 1.471 20 10 CDCDHN CS[C@H](CO)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000219057781 329144662 /nfs/dbraw/zinc/14/46/62/329144662.db2.gz JWVBYFWIJHJNMB-SMDDNHRTSA-N 0 3 268.426 1.955 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC000134589364 334096464 /nfs/dbraw/zinc/09/64/64/334096464.db2.gz BARPMMCDPSKMQR-LBPRGKRZSA-N 0 3 292.379 1.891 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)COC)cc1 ZINC000281000306 520286902 /nfs/dbraw/zinc/28/69/02/520286902.db2.gz NODALVIACUYEJO-OCCSQVGLSA-N 0 3 266.385 1.801 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](CC)C(N)=O ZINC000076074296 521690852 /nfs/dbraw/zinc/69/08/52/521690852.db2.gz INRFVUMHANGXII-LBPRGKRZSA-N 0 3 250.342 1.868 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](CC)C(N)=O ZINC000076074296 521690854 /nfs/dbraw/zinc/69/08/54/521690854.db2.gz INRFVUMHANGXII-LBPRGKRZSA-N 0 3 250.342 1.868 20 10 CDCDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000036999064 524327993 /nfs/dbraw/zinc/32/79/93/524327993.db2.gz MMYPBESJYUENAF-CYBMUJFWSA-N 0 3 275.396 1.802 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068800504 525486504 /nfs/dbraw/zinc/48/65/04/525486504.db2.gz MLCJIKCUKIHMPS-CHWSQXEVSA-N 0 3 263.385 1.289 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN[C@@H]1CCOC1 ZINC000088687595 526432659 /nfs/dbraw/zinc/43/26/59/526432659.db2.gz BPYICTRRALLIEA-CQSZACIVSA-N 0 3 262.353 1.402 20 10 CDCDHN O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(O)c1[O-] ZINC000278304933 527609717 /nfs/dbraw/zinc/60/97/17/527609717.db2.gz BJQRQHIHONCGEC-UHFFFAOYSA-N 0 3 290.363 1.702 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000725846566 574443966 /nfs/dbraw/zinc/44/39/66/574443966.db2.gz HOYGKQGZCJLJTI-CYBMUJFWSA-N 0 3 267.325 1.296 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1[O-] ZINC000725849064 574444388 /nfs/dbraw/zinc/44/43/88/574444388.db2.gz FXEJSGAQWPYDAR-LLVKDONJSA-N 0 3 273.336 1.912 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000729682584 574820523 /nfs/dbraw/zinc/82/05/23/574820523.db2.gz WBGGDUGZICEJED-LBPRGKRZSA-N 0 3 250.342 1.585 20 10 CDCDHN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([O-])cs1 ZINC000732271529 575085412 /nfs/dbraw/zinc/08/54/12/575085412.db2.gz IXSGDPXPMNOQAF-SECBINFHSA-N 0 3 266.366 1.668 20 10 CDCDHN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([O-])cs1 ZINC000732271529 575085413 /nfs/dbraw/zinc/08/54/13/575085413.db2.gz IXSGDPXPMNOQAF-SECBINFHSA-N 0 3 266.366 1.668 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCCC(=O)NC)c([O-])c1 ZINC000769505903 575353785 /nfs/dbraw/zinc/35/37/85/575353785.db2.gz QMEPIBFNWSSVAL-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCCC(=O)NC)c([O-])c1 ZINC000769505903 575353786 /nfs/dbraw/zinc/35/37/86/575353786.db2.gz QMEPIBFNWSSVAL-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000771933077 575638806 /nfs/dbraw/zinc/63/88/06/575638806.db2.gz BUWCPHPHZOGPCZ-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000771933077 575638807 /nfs/dbraw/zinc/63/88/07/575638807.db2.gz BUWCPHPHZOGPCZ-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(OC)CCOC2)cc1OC ZINC000764681723 575933649 /nfs/dbraw/zinc/93/36/49/575933649.db2.gz HPJAZJULMOJVPA-HNNXBMFYSA-N 0 3 297.351 1.305 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c([O-])c1 ZINC000765795032 576056803 /nfs/dbraw/zinc/05/68/03/576056803.db2.gz GVSRTPXKVMCVAZ-KBPBESRZSA-N 0 3 292.379 1.795 20 10 CDCDHN COC(=O)C[C@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000766468764 576105057 /nfs/dbraw/zinc/10/50/57/576105057.db2.gz MKLIXNWDMSFJDU-MRXNPFEDSA-N 0 3 291.347 1.433 20 10 CDCDHN CC(C)(CO)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769445352 576354371 /nfs/dbraw/zinc/35/43/71/576354371.db2.gz GSQJQIJSMJDPHJ-UHFFFAOYSA-N 0 3 298.814 1.934 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000761205458 576559051 /nfs/dbraw/zinc/55/90/51/576559051.db2.gz DUBRPZHXGJALDH-NSHDSACASA-N 0 3 271.744 1.915 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCOCC2)cc1C ZINC000742367486 576597965 /nfs/dbraw/zinc/59/79/65/576597965.db2.gz WWXKRSQZTJAZLS-AWEZNQCLSA-N 0 3 278.396 1.819 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763465971 576738288 /nfs/dbraw/zinc/73/82/88/576738288.db2.gz DYCPHQOHAJFGKC-OAHLLOKOSA-N 0 3 279.380 1.968 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCSC1 ZINC000747622783 576877422 /nfs/dbraw/zinc/87/74/22/576877422.db2.gz XXWYXGILSMOYKP-CYBMUJFWSA-N 0 3 269.366 1.358 20 10 CDCDHN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(F)ccc1[O-] ZINC000756537395 576994366 /nfs/dbraw/zinc/99/43/66/576994366.db2.gz YPZIZDFMQYYFHA-NEPJUHHUSA-N 0 3 282.359 1.903 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000756616002 576997498 /nfs/dbraw/zinc/99/74/98/576997498.db2.gz YILIXKAAEMIXSN-XPTSAGLGSA-N 0 3 279.315 1.649 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000894184544 618671108 /nfs/dbraw/zinc/67/11/08/618671108.db2.gz BBPBOWNJYKVZTP-PWSUYJOCSA-N 0 3 299.392 1.314 20 10 CDCDHN COc1ccc(CN2CC(C(C)(C)O)C2)c(O)c1OC ZINC000894830236 619081908 /nfs/dbraw/zinc/08/19/08/619081908.db2.gz HQZIIRXTUUAUOZ-UHFFFAOYSA-N 0 3 281.352 1.612 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC2)N(C)C)cc1 ZINC000899102989 622046076 /nfs/dbraw/zinc/04/60/76/622046076.db2.gz UCXLBRRQSJNNGI-OAHLLOKOSA-N 0 3 290.411 1.771 20 10 CDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717924 630609663 /nfs/dbraw/zinc/60/96/63/630609663.db2.gz LBLPPLDHCHOFCT-CZUORRHYSA-N 0 3 292.379 1.541 20 10 CDCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000153814325 631897049 /nfs/dbraw/zinc/89/70/49/631897049.db2.gz YXCROCYBKIDWGV-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000694587973 1159487041 /nfs/dbraw/zinc/48/70/41/1159487041.db2.gz FUFXVPZFIDHDMQ-HNNXBMFYSA-N 0 3 296.436 1.810 20 10 CDCDHN Cc1cc([O-])c(CN2CCC23C[NH2+]C3)c(Cl)c1 ZINC001579638099 1172231500 /nfs/dbraw/zinc/23/15/00/1172231500.db2.gz RAMHVSUQXRYXSZ-UHFFFAOYSA-N 0 3 252.745 1.902 20 10 CDCDHN COC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000794833461 1164627467 /nfs/dbraw/zinc/62/74/67/1164627467.db2.gz DSCRKWDPZLRXQX-WCABBAIRSA-N 0 3 269.316 1.677 20 10 CDCDHN Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000827964067 837701032 /nfs/dbraw/zinc/70/10/32/837701032.db2.gz VTWKRVDBLRZACT-CALCHBBNSA-N 0 3 290.407 1.523 20 10 CDCDHN C[C@H](N[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395130 835879560 /nfs/dbraw/zinc/87/95/60/835879560.db2.gz QMBKARQQPGIJMK-SMDDNHRTSA-N 0 3 261.369 1.682 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877122084 835961879 /nfs/dbraw/zinc/96/18/79/835961879.db2.gz HNMOMZIMFBMPDS-UHFFFAOYSA-N 0 3 283.393 1.615 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000312878494 836091302 /nfs/dbraw/zinc/09/13/02/836091302.db2.gz NIAJGWZEFSGWEQ-UHFFFAOYSA-N 0 3 280.324 1.125 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877474571 836125988 /nfs/dbraw/zinc/12/59/88/836125988.db2.gz BHNWJCHZKJBNGG-AWEZNQCLSA-N 0 3 283.368 1.204 20 10 CDCDHN CCS(=O)(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000390313130 836488304 /nfs/dbraw/zinc/48/83/04/836488304.db2.gz CZDWLBUKYABFPC-GFCCVEGCSA-N 0 3 299.440 1.343 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000793586196 836624358 /nfs/dbraw/zinc/62/43/58/836624358.db2.gz GQEATZZQLWNLOZ-STQMWFEESA-N 0 3 294.395 1.288 20 10 CDCDHN C[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOC1 ZINC000397111180 836799354 /nfs/dbraw/zinc/79/93/54/836799354.db2.gz CHBFBHQIYJBRQO-AWEZNQCLSA-N 0 3 265.309 1.637 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000877142331 836882242 /nfs/dbraw/zinc/88/22/42/836882242.db2.gz RNYANHRVSZLQEB-ZDUSSCGKSA-N 0 3 293.363 1.712 20 10 CDCDHN CCN1C[C@H](NCc2ccc(OC)c(C)c2)CC1=O ZINC000391479533 837062328 /nfs/dbraw/zinc/06/23/28/837062328.db2.gz MXMMDZQTWFLHFR-CYBMUJFWSA-N 0 3 262.353 1.714 20 10 CDCDHN COCCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000839539355 837241130 /nfs/dbraw/zinc/24/11/30/837241130.db2.gz KZHZYGFUPRUKMJ-LLVKDONJSA-N 0 3 296.367 1.204 20 10 CDCDHN COC[C@@H](O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858154950 837244754 /nfs/dbraw/zinc/24/47/54/837244754.db2.gz WNZIWQSGAWSKLS-NSHDSACASA-N 0 3 288.338 1.518 20 10 CDCDHN N[C@@H](CC1CC1)C(=O)NCCCSc1nccs1 ZINC000884138076 837295123 /nfs/dbraw/zinc/29/51/23/837295123.db2.gz CUPMVFWDVOWZPD-JTQLQIEISA-N 0 3 285.438 1.869 20 10 CDCDHN Cc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827120750 837845130 /nfs/dbraw/zinc/84/51/30/837845130.db2.gz VOZVVKLDWZTUKW-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN C[NH+](C)CCn1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000188322533 837869134 /nfs/dbraw/zinc/86/91/34/837869134.db2.gz YPDZKGDMFQORNG-UHFFFAOYSA-N 0 3 290.323 1.108 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000702652491 839084552 /nfs/dbraw/zinc/08/45/52/839084552.db2.gz LISNYEKQHCAJRX-HZMBPMFUSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061088 839377186 /nfs/dbraw/zinc/37/71/86/839377186.db2.gz JMZVIMAIWYSTDM-WCQYABFASA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061088 839377201 /nfs/dbraw/zinc/37/72/01/839377201.db2.gz JMZVIMAIWYSTDM-WCQYABFASA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000835060766 839965103 /nfs/dbraw/zinc/96/51/03/839965103.db2.gz NDSUXOSDJSETKQ-CQSZACIVSA-N 0 3 264.325 1.159 20 10 CDCDHN CS(=O)(=O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310759315 840037906 /nfs/dbraw/zinc/03/79/06/840037906.db2.gz AOCZLJDDOAWTMI-LLVKDONJSA-N 0 3 269.366 1.404 20 10 CDCDHN CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000858601632 840045218 /nfs/dbraw/zinc/04/52/18/840045218.db2.gz HOZNUQBHTBQOQK-ZFWWWQNUSA-N 0 3 278.396 1.808 20 10 CDCDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000934936270 840102035 /nfs/dbraw/zinc/10/20/35/840102035.db2.gz QQARCTAKCHDIOB-ZDUSSCGKSA-N 0 3 262.353 1.881 20 10 CDCDHN COc1cc(O)c(CNCc2cncn2C)cc1OC ZINC000291656078 840772721 /nfs/dbraw/zinc/77/27/21/840772721.db2.gz UZAFNMYUOBFAKD-UHFFFAOYSA-N 0 3 277.324 1.433 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(N(C)C)CCC1 ZINC000782535099 841009547 /nfs/dbraw/zinc/00/95/47/841009547.db2.gz BCXZUXDHIMBEAF-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN CCN(CCO)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877399316 841027821 /nfs/dbraw/zinc/02/78/21/841027821.db2.gz MUIDARUZADQQEA-UHFFFAOYSA-N 0 3 252.358 1.104 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1[O-] ZINC000834897949 841086396 /nfs/dbraw/zinc/08/63/96/841086396.db2.gz XQWMCYULRDQGQX-XXILOJSOSA-N 0 3 271.744 1.764 20 10 CDCDHN NC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180227491 841112351 /nfs/dbraw/zinc/11/23/51/841112351.db2.gz LIFHYZRUKWZYNF-SNVBAGLBSA-N 0 3 266.316 1.619 20 10 CDCDHN NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180227491 841112365 /nfs/dbraw/zinc/11/23/65/841112365.db2.gz LIFHYZRUKWZYNF-SNVBAGLBSA-N 0 3 266.316 1.619 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(C)cc1[O-] ZINC000866497635 841135958 /nfs/dbraw/zinc/13/59/58/841135958.db2.gz OCANOKBVDFDXFE-BFHYXJOUSA-N 0 3 265.353 1.891 20 10 CDCDHN C[NH+](C)CCn1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000818937211 841278041 /nfs/dbraw/zinc/27/80/41/841278041.db2.gz GCDLKTPYEZOTSB-UHFFFAOYSA-N 0 3 290.323 1.108 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)c([O-])c1 ZINC000809752178 841490998 /nfs/dbraw/zinc/49/09/98/841490998.db2.gz OUZRXDFAEWBTHA-OAHLLOKOSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)c([O-])c1 ZINC000809752178 841491026 /nfs/dbraw/zinc/49/10/26/841491026.db2.gz OUZRXDFAEWBTHA-OAHLLOKOSA-N 0 3 265.353 1.994 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876898353 841621418 /nfs/dbraw/zinc/62/14/18/841621418.db2.gz LRDQHDFQNIDJMK-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000312049303 841641832 /nfs/dbraw/zinc/64/18/32/841641832.db2.gz WMBICONETCZDRN-MWLCHTKSSA-N 0 3 264.325 1.262 20 10 CDCDHN COc1ccc(N(C)CCN(C)Cc2cnc[nH]2)cc1 ZINC000844402415 841892540 /nfs/dbraw/zinc/89/25/40/841892540.db2.gz XCKLDBHYRNCOFA-UHFFFAOYSA-N 0 3 274.368 1.987 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCNC(C)=O)c1 ZINC000843427094 842026882 /nfs/dbraw/zinc/02/68/82/842026882.db2.gz GZVGEVRKGOXDPJ-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000069143155 842039041 /nfs/dbraw/zinc/03/90/41/842039041.db2.gz QHNDKDJAPXPWLO-NSHDSACASA-N 0 3 285.365 1.068 20 10 CDCDHN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1[O-] ZINC000126473970 842350833 /nfs/dbraw/zinc/35/08/33/842350833.db2.gz UXJHHJKQOMIWHH-JTQLQIEISA-N 0 3 264.325 1.264 20 10 CDCDHN CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(O)c1[O-] ZINC000126473970 842350848 /nfs/dbraw/zinc/35/08/48/842350848.db2.gz UXJHHJKQOMIWHH-JTQLQIEISA-N 0 3 264.325 1.264 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000876625874 842378860 /nfs/dbraw/zinc/37/88/60/842378860.db2.gz HYUAYZQDDKYEHJ-OAHLLOKOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000876625874 842378874 /nfs/dbraw/zinc/37/88/74/842378874.db2.gz HYUAYZQDDKYEHJ-OAHLLOKOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000877493480 842693070 /nfs/dbraw/zinc/69/30/70/842693070.db2.gz BWHTWJGNXPRWLI-STQMWFEESA-N 0 3 265.353 1.435 20 10 CDCDHN CCCN(CC(=O)NC(=O)NCC)Cc1ccccc1O ZINC000130718982 842873510 /nfs/dbraw/zinc/87/35/10/842873510.db2.gz GRVFAXGCCQSILW-UHFFFAOYSA-N 0 3 293.367 1.450 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236284178 914853977 /nfs/dbraw/zinc/85/39/77/914853977.db2.gz BAUHWZQBTLGMNL-GXSJLCMTSA-N 0 3 268.744 1.458 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@@H](CO)[C@@H](O)C3)ccc21 ZINC001138354822 936525071 /nfs/dbraw/zinc/52/50/71/936525071.db2.gz WDMJZEMKKQOSBP-RDJZCZTQSA-N 0 3 290.407 1.244 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2ccc(O)c(C)c2O)CCCO1 ZINC001140749954 936750173 /nfs/dbraw/zinc/75/01/73/936750173.db2.gz PIGDSTJWZJZBOO-CYBMUJFWSA-N 0 3 295.335 1.170 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001140957661 936784165 /nfs/dbraw/zinc/78/41/65/936784165.db2.gz HOILYKWQQFWCLY-UHFFFAOYSA-N 0 3 290.363 1.182 20 10 CDCDHN CCc1cccc(CNCCS(=O)(=O)C(C)C)c1O ZINC000691450334 928875157 /nfs/dbraw/zinc/87/51/57/928875157.db2.gz HIPUCQGXKVRYFD-UHFFFAOYSA-N 0 3 285.409 1.867 20 10 CDCDHN CCOC(=O)c1cc(CNCc2cc(C)ccc2O)[nH]n1 ZINC001118884357 937674917 /nfs/dbraw/zinc/67/49/17/937674917.db2.gz GGZXGXJDAFFLRN-UHFFFAOYSA-N 0 3 289.335 1.890 20 10 CDCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203558549 939693563 /nfs/dbraw/zinc/69/35/63/939693563.db2.gz MVAGCKVMZQQVFE-AWEZNQCLSA-N 0 3 292.379 1.509 20 10 CDCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558549 939693564 /nfs/dbraw/zinc/69/35/64/939693564.db2.gz MVAGCKVMZQQVFE-AWEZNQCLSA-N 0 3 292.379 1.509 20 10 CDCDHN COc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001203628047 939697849 /nfs/dbraw/zinc/69/78/49/939697849.db2.gz WPLNJZKIMWLCNM-UHFFFAOYSA-N 0 3 264.325 1.065 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001203628047 939697850 /nfs/dbraw/zinc/69/78/50/939697850.db2.gz WPLNJZKIMWLCNM-UHFFFAOYSA-N 0 3 264.325 1.065 20 10 CDCDHN Cc1noc([C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204280669 939752450 /nfs/dbraw/zinc/75/24/50/939752450.db2.gz LWMGFAGONZRQFY-LLVKDONJSA-N 0 3 275.308 1.779 20 10 CDCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204280669 939752452 /nfs/dbraw/zinc/75/24/52/939752452.db2.gz LWMGFAGONZRQFY-LLVKDONJSA-N 0 3 275.308 1.779 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204283012 939752722 /nfs/dbraw/zinc/75/27/22/939752722.db2.gz WHKPFHMUZKQFNA-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204283012 939752726 /nfs/dbraw/zinc/75/27/26/939752726.db2.gz WHKPFHMUZKQFNA-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN C[C@]1([NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205281669 939876262 /nfs/dbraw/zinc/87/62/62/939876262.db2.gz XMZBEPFLUDUXKB-HNNXBMFYSA-N 0 3 278.352 1.794 20 10 CDCDHN C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205281669 939876265 /nfs/dbraw/zinc/87/62/65/939876265.db2.gz XMZBEPFLUDUXKB-HNNXBMFYSA-N 0 3 278.352 1.794 20 10 CDCDHN [NH3+][C@@H]1CN(Cc2cc(F)ccc2[O-])CC(F)(F)C1 ZINC001206131820 939984199 /nfs/dbraw/zinc/98/41/99/939984199.db2.gz JZMWWVVKUIMESW-JTQLQIEISA-N 0 3 260.259 1.700 20 10 CDCDHN Nc1cccc(CN2CCc3cccc(O)c3C2)n1 ZINC001233372566 943563358 /nfs/dbraw/zinc/56/33/58/943563358.db2.gz URTBNKNVJSPHHH-UHFFFAOYSA-N 0 3 255.321 1.928 20 10 CDCDHN OCCN(Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482663 943591107 /nfs/dbraw/zinc/59/11/07/943591107.db2.gz XOIGPBWYIRCYPU-UHFFFAOYSA-N 0 3 289.331 1.798 20 10 CDCDHN C[C@H]1C[C@@H](O)CCN1Cc1cc(O)c(O)cc1O ZINC001233485930 943593638 /nfs/dbraw/zinc/59/36/38/943593638.db2.gz QLWFPBSRNSYAFN-WPRPVWTQSA-N 0 3 253.298 1.149 20 10 CDCDHN CC(C)O[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486596 943596078 /nfs/dbraw/zinc/59/60/78/943596078.db2.gz TYEOTZDWGFDQTR-NSHDSACASA-N 0 3 267.325 1.803 20 10 CDCDHN Cc1cc(C[N@H+](C)CCO)c([O-])cc1Br ZINC001236259100 944441010 /nfs/dbraw/zinc/44/10/10/944441010.db2.gz PAFKSEZFUREUOA-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN Cc1cc(C[N@@H+](C)CCO)c([O-])cc1Br ZINC001236259100 944441018 /nfs/dbraw/zinc/44/10/18/944441018.db2.gz PAFKSEZFUREUOA-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN CCc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001236789581 944568498 /nfs/dbraw/zinc/56/84/98/944568498.db2.gz YWDRXSFKQGGYPI-UHFFFAOYSA-N 0 3 289.379 1.602 20 10 CDCDHN CCc1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001236790759 944571058 /nfs/dbraw/zinc/57/10/58/944571058.db2.gz XTGNIASCTMGMNJ-ZDUSSCGKSA-N 0 3 262.353 1.794 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046629 944645969 /nfs/dbraw/zinc/64/59/69/944645969.db2.gz UFZNGNLUSNZHNP-GDBMZVCRSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046629 944645973 /nfs/dbraw/zinc/64/59/73/944645973.db2.gz UFZNGNLUSNZHNP-GDBMZVCRSA-N 0 3 279.380 1.691 20 10 CDCDHN CCN(CC)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202437 944691457 /nfs/dbraw/zinc/69/14/57/944691457.db2.gz GXSOBAKANSOYSG-UHFFFAOYSA-N 0 3 296.436 1.763 20 10 CDCDHN Cc1cc(F)cc(CN(C)CCN2CCOCC2)c1O ZINC001238058939 945046278 /nfs/dbraw/zinc/04/62/78/945046278.db2.gz WTCRMXCIMYIBLT-UHFFFAOYSA-N 0 3 282.359 1.604 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001249208428 949461652 /nfs/dbraw/zinc/46/16/52/949461652.db2.gz UDWFPVWMSWSLMF-SMDDNHRTSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001249208428 949461664 /nfs/dbraw/zinc/46/16/64/949461664.db2.gz UDWFPVWMSWSLMF-SMDDNHRTSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001252437579 951269365 /nfs/dbraw/zinc/26/93/65/951269365.db2.gz UNRFQWCFWYCYFE-OAHLLOKOSA-N 0 3 292.379 1.300 20 10 CDCDHN CN1CCN(c2ccc(CNC/C=C/CO)cc2F)CC1 ZINC001347357694 965486298 /nfs/dbraw/zinc/48/62/98/965486298.db2.gz SLCSHLHDMGBXSI-NSCUHMNNSA-N 0 3 293.386 1.216 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295164769 199381556 /nfs/dbraw/zinc/38/15/56/199381556.db2.gz SOSKVBQYLWJAHP-CQSZACIVSA-N 0 3 294.395 1.337 20 10 CDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000112839337 366160025 /nfs/dbraw/zinc/16/00/25/366160025.db2.gz GIANITUMOFASPP-KGLIPLIRSA-N 0 3 296.798 1.998 20 10 CDCDHN CCOCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879329 357083179 /nfs/dbraw/zinc/08/31/79/357083179.db2.gz ZBZIEBUSXJCNHZ-UHFFFAOYSA-N 0 3 253.298 1.637 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000179587177 357213880 /nfs/dbraw/zinc/21/38/80/357213880.db2.gz ZITZRDPUQJQMFL-CYBMUJFWSA-N 0 3 272.352 1.896 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000179587177 357213881 /nfs/dbraw/zinc/21/38/81/357213881.db2.gz ZITZRDPUQJQMFL-CYBMUJFWSA-N 0 3 272.352 1.896 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)cc1OC ZINC000179954148 357233146 /nfs/dbraw/zinc/23/31/46/357233146.db2.gz UANUXTBHTCZMAZ-SNVBAGLBSA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)cc1OC ZINC000179954148 357233152 /nfs/dbraw/zinc/23/31/52/357233152.db2.gz UANUXTBHTCZMAZ-SNVBAGLBSA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@H](CO)C2)cc1OC ZINC000179954148 357233156 /nfs/dbraw/zinc/23/31/56/357233156.db2.gz UANUXTBHTCZMAZ-SNVBAGLBSA-N 0 3 267.325 1.224 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000364513520 358438566 /nfs/dbraw/zinc/43/85/66/358438566.db2.gz UXIMFRXNDMKTBK-OAHLLOKOSA-N 0 3 271.368 1.791 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCN1CCCC1)OCO2 ZINC000042879447 358983924 /nfs/dbraw/zinc/98/39/24/358983924.db2.gz JITGCWHUXNNBOH-UHFFFAOYSA-N 0 3 264.325 1.306 20 10 CDCDHN C[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000111235077 359197398 /nfs/dbraw/zinc/19/73/98/359197398.db2.gz WFHUMMMTHYWNPW-UHFFFAOYSA-N 0 3 291.351 1.154 20 10 CDCDHN C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000111235077 359197402 /nfs/dbraw/zinc/19/74/02/359197402.db2.gz WFHUMMMTHYWNPW-UHFFFAOYSA-N 0 3 291.351 1.154 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297861586 200294624 /nfs/dbraw/zinc/29/46/24/200294624.db2.gz UCSSRLKKWUBTCM-RYUDHWBXSA-N 0 3 251.326 1.367 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000230663242 360336033 /nfs/dbraw/zinc/33/60/33/360336033.db2.gz YYMAIIZEZUQQON-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282379902 364087394 /nfs/dbraw/zinc/08/73/94/364087394.db2.gz OIPZBDOENLKUPB-QGZVFWFLSA-N 0 3 253.367 1.701 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1[O-] ZINC000183330093 365404754 /nfs/dbraw/zinc/40/47/54/365404754.db2.gz GVVINHOHRMFQBU-ZDUSSCGKSA-N 0 3 262.353 1.959 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273460905 365497848 /nfs/dbraw/zinc/49/78/48/365497848.db2.gz CQWVZAXEUSOEDU-BONVTDFDSA-N 0 3 291.351 1.519 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H](CO)COC)cc1 ZINC000233453118 367591003 /nfs/dbraw/zinc/59/10/03/367591003.db2.gz YMVLCNPVMZKMNP-CQSZACIVSA-N 0 3 266.385 1.630 20 10 CDCDHN O=C(c1cccc2c1CCNC2)N1CCn2nccc21 ZINC000639034768 377345782 /nfs/dbraw/zinc/34/57/82/377345782.db2.gz MRNUYNYOXWZZMH-UHFFFAOYSA-N 0 3 268.320 1.189 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000293754891 378589128 /nfs/dbraw/zinc/58/91/28/378589128.db2.gz OLUCFPSKDUFODE-VXGBXAGGSA-N 0 3 262.353 1.890 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1CCO)OCO2 ZINC000189932955 285267379 /nfs/dbraw/zinc/26/73/79/285267379.db2.gz BBTNVYOUJFVZQZ-ZYHUDNBSSA-N 0 3 279.336 1.762 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000122574583 390903461 /nfs/dbraw/zinc/90/34/61/390903461.db2.gz YFBWUMCJEVOXRE-HNNXBMFYSA-N 0 3 275.396 1.805 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)CSC)c1 ZINC000182430762 391235224 /nfs/dbraw/zinc/23/52/24/391235224.db2.gz WEMTZTRMZRWBPC-CYBMUJFWSA-N 0 3 271.382 1.604 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CCC(=O)NC)c1 ZINC000179412552 391204681 /nfs/dbraw/zinc/20/46/81/391204681.db2.gz KEHXBWDDZUGQBY-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CCC(=O)NC)c1 ZINC000179412552 391204685 /nfs/dbraw/zinc/20/46/85/391204685.db2.gz KEHXBWDDZUGQBY-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c([O-])c1O ZINC000179444342 391205680 /nfs/dbraw/zinc/20/56/80/391205680.db2.gz ZEUPIUKAVOUIQQ-NSHDSACASA-N 0 3 290.363 1.620 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c([O-])c1O ZINC000179444342 391205683 /nfs/dbraw/zinc/20/56/83/391205683.db2.gz ZEUPIUKAVOUIQQ-NSHDSACASA-N 0 3 290.363 1.620 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000372692735 391862339 /nfs/dbraw/zinc/86/23/39/391862339.db2.gz USAVCULDHFXGJA-HNNXBMFYSA-N 0 3 292.335 1.475 20 10 CDCDHN C[C@H](NCC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000037262885 173072343 /nfs/dbraw/zinc/07/23/43/173072343.db2.gz RTDRJRWXNQDDAQ-NSHDSACASA-N 0 3 261.369 1.682 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(C)CC2)c1 ZINC000037267001 173076277 /nfs/dbraw/zinc/07/62/77/173076277.db2.gz GBHBSGFCSAGINJ-UHFFFAOYSA-N 0 3 250.342 1.585 20 10 CDCDHN COCCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000165845138 261378158 /nfs/dbraw/zinc/37/81/58/261378158.db2.gz HZXRVVHZJHCSDA-UHFFFAOYSA-N 0 3 291.395 1.038 20 10 CDCDHN Cc1cc(O)c(CN2CCNC(=O)C[C@@H]2C)cc1C ZINC000368137215 267147494 /nfs/dbraw/zinc/14/74/94/267147494.db2.gz YFFUGUBAQFSHNQ-LBPRGKRZSA-N 0 3 262.353 1.719 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000094616877 279467942 /nfs/dbraw/zinc/46/79/42/279467942.db2.gz ZWXFFHQMMXFQGW-ZDUSSCGKSA-N 0 3 295.402 1.819 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296584768 280145256 /nfs/dbraw/zinc/14/52/56/280145256.db2.gz UPXCAMUMQGCSLQ-NWDGAFQWSA-N 0 3 298.408 1.297 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000272900316 328201422 /nfs/dbraw/zinc/20/14/22/328201422.db2.gz UYLMZRSTROEWSA-XHDPSFHLSA-N 0 3 265.353 1.830 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000378555492 329054623 /nfs/dbraw/zinc/05/46/23/329054623.db2.gz DFKXDSCPCCZQRU-NWDGAFQWSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000378555492 329054624 /nfs/dbraw/zinc/05/46/24/329054624.db2.gz DFKXDSCPCCZQRU-NWDGAFQWSA-N 0 3 290.363 1.763 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000187986631 329364509 /nfs/dbraw/zinc/36/45/09/329364509.db2.gz QEHRNRVTVRUSCJ-JQWIXIFHSA-N 0 3 251.326 1.651 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000234878653 1178228493 /nfs/dbraw/zinc/22/84/93/1178228493.db2.gz AXIROFKYQUSNOT-OKILXGFUSA-N 0 3 267.325 1.246 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000234878653 1178228498 /nfs/dbraw/zinc/22/84/98/1178228498.db2.gz AXIROFKYQUSNOT-OKILXGFUSA-N 0 3 267.325 1.246 20 10 CDCDHN CCOCc1cc(CN[C@H](CO)COC)ccc1OC ZINC000279812946 520186827 /nfs/dbraw/zinc/18/68/27/520186827.db2.gz OTXWXXLMCCHJOK-CQSZACIVSA-N 0 3 283.368 1.329 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037268340 521743684 /nfs/dbraw/zinc/74/36/84/521743684.db2.gz DGTIZGYZUPXSAC-NWDGAFQWSA-N 0 3 263.385 1.928 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000280468151 521775000 /nfs/dbraw/zinc/77/50/00/521775000.db2.gz YFTWUBJCDDKZAF-MRXNPFEDSA-N 0 3 276.380 1.967 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000280468151 521775007 /nfs/dbraw/zinc/77/50/07/521775007.db2.gz YFTWUBJCDDKZAF-MRXNPFEDSA-N 0 3 276.380 1.967 20 10 CDCDHN C[NH+](C)C[C@](C)(O)CNCc1c([O-])cccc1Cl ZINC000131443939 521886882 /nfs/dbraw/zinc/88/68/82/521886882.db2.gz PAHABKWAIUXAIW-CYBMUJFWSA-N 0 3 272.776 1.448 20 10 CDCDHN CN(C)C[C@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000131443939 521886887 /nfs/dbraw/zinc/88/68/87/521886887.db2.gz PAHABKWAIUXAIW-CYBMUJFWSA-N 0 3 272.776 1.448 20 10 CDCDHN CC[C@H]([NH2+]CC[C@H](O)COC)c1ccccc1[O-] ZINC000156986470 522599677 /nfs/dbraw/zinc/59/96/77/522599677.db2.gz AYGOYPXRRFWQIT-AAEUAGOBSA-N 0 3 253.342 1.830 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1[O-] ZINC000276784337 524402678 /nfs/dbraw/zinc/40/26/78/524402678.db2.gz JWEYWMKALRUUEB-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1[O-] ZINC000276784337 524402687 /nfs/dbraw/zinc/40/26/87/524402687.db2.gz JWEYWMKALRUUEB-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3cccnn3)CC2)c1 ZINC000127992187 525343148 /nfs/dbraw/zinc/34/31/48/525343148.db2.gz JNWKYRSFHRUPSW-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3cnn(C)c3)CC2)c1 ZINC000126116750 525343397 /nfs/dbraw/zinc/34/33/97/525343397.db2.gz JXDSCLJLVXBCDO-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN COc1cccc(C[N@H+](C)CCCCCO)c1[O-] ZINC000279362500 525913219 /nfs/dbraw/zinc/91/32/19/525913219.db2.gz HFQKAHHGCIQNOB-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COc1cccc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000279362500 525913233 /nfs/dbraw/zinc/91/32/33/525913233.db2.gz HFQKAHHGCIQNOB-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN Cc1nccnc1CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000293134048 527451601 /nfs/dbraw/zinc/45/16/01/527451601.db2.gz TULBFKHHQSUPPD-UHFFFAOYSA-N 0 3 287.319 1.552 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)CCOCC1 ZINC000226608778 527525175 /nfs/dbraw/zinc/52/51/75/527525175.db2.gz HIEGMXABYLSVOU-UHFFFAOYSA-N 0 3 255.289 1.162 20 10 CDCDHN CCOc1ccc(CN2CCN(C[C@H](C)O)CC2)c(O)c1 ZINC000769327619 576346335 /nfs/dbraw/zinc/34/63/35/576346335.db2.gz KFMAKUUATYSVGS-ZDUSSCGKSA-N 0 3 294.395 1.289 20 10 CDCDHN COc1cccc(O)c1CN1CCN(C(C)(C)CO)CC1 ZINC000769445350 576354277 /nfs/dbraw/zinc/35/42/77/576354277.db2.gz GROFVBNQEWICBO-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN COC(=O)[C@@H]1[C@H](CN(C)Cc2ccccc2O)C1(F)F ZINC000893961287 618209119 /nfs/dbraw/zinc/20/91/19/618209119.db2.gz DVPTYCJDCXMGGL-JQWIXIFHSA-N 0 3 285.290 1.878 20 10 CDCDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(N)=O ZINC000035148836 621547799 /nfs/dbraw/zinc/54/77/99/621547799.db2.gz YLXSFUIQOHNRAX-GFCCVEGCSA-N 0 3 261.369 1.640 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCCON)c2c1c(F)ccc2[O-] ZINC000902422958 624792104 /nfs/dbraw/zinc/79/21/04/624792104.db2.gz HMVOXYALIQZNKG-PSASIEDQSA-N 0 3 254.305 1.950 20 10 CDCDHN CN1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000380701210 1160676924 /nfs/dbraw/zinc/67/69/24/1160676924.db2.gz NUFNPHHBXCSIJS-AWEZNQCLSA-N 0 3 273.380 1.607 20 10 CDCDHN C[C@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C[NH2+]1 ZINC001576667185 1171483708 /nfs/dbraw/zinc/48/37/08/1171483708.db2.gz SGWFAJCIIRVONS-UWVGGRQHSA-N 0 3 281.331 1.471 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228693406 1175794702 /nfs/dbraw/zinc/79/47/02/1175794702.db2.gz MIUXIIGGHJMVFP-JTQLQIEISA-N 0 3 268.332 1.954 20 10 CDCDHN CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1N(C)C ZINC000841295588 844428283 /nfs/dbraw/zinc/42/82/83/844428283.db2.gz CAZMWEQMHAUAJU-OLZOCXBDSA-N 0 3 294.424 1.778 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876728589 844442642 /nfs/dbraw/zinc/44/26/42/844442642.db2.gz QHFJESZQUBVKJP-ZDUSSCGKSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876728589 844442650 /nfs/dbraw/zinc/44/26/50/844442650.db2.gz QHFJESZQUBVKJP-ZDUSSCGKSA-N 0 3 262.353 1.659 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(F)ccc1[O-] ZINC000094617778 844440033 /nfs/dbraw/zinc/44/00/33/844440033.db2.gz BDASQGKJRDNOHA-KOLCDFICSA-N 0 3 255.289 1.597 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000779199484 844441598 /nfs/dbraw/zinc/44/15/98/844441598.db2.gz BAFUPQRBKUMAPD-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000779199484 844441602 /nfs/dbraw/zinc/44/16/02/844441602.db2.gz BAFUPQRBKUMAPD-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CC[C@H](C)NC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025146 844546371 /nfs/dbraw/zinc/54/63/71/844546371.db2.gz PTQHYKVIWVFORL-VIFPVBQESA-N 0 3 251.330 1.813 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCC(O)CC1)CC2 ZINC000321542511 844548415 /nfs/dbraw/zinc/54/84/15/844548415.db2.gz LBVLYHTVEIAOEF-CQSZACIVSA-N 0 3 276.380 1.426 20 10 CDCDHN COc1ccc(O)c(CN(CC(N)=O)C2CCCC2)c1 ZINC000132986672 844565442 /nfs/dbraw/zinc/56/54/42/844565442.db2.gz NEXZRPLCBWPOHF-UHFFFAOYSA-N 0 3 278.352 1.631 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000877118483 843260186 /nfs/dbraw/zinc/26/01/86/843260186.db2.gz CKYKQEOFJYRVRD-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563762 843492879 /nfs/dbraw/zinc/49/28/79/843492879.db2.gz PHGNIZAYXKGNCA-DZGCQCFKSA-N 0 3 265.353 1.842 20 10 CDCDHN CCNS(=O)(=O)CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000229561428 843825078 /nfs/dbraw/zinc/82/50/78/843825078.db2.gz FTEHXTMFUIQYPA-GFCCVEGCSA-N 0 3 286.397 1.372 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCOCCOC)c([O-])c1 ZINC000809790098 843862172 /nfs/dbraw/zinc/86/21/72/843862172.db2.gz XVKRKWKLWSXJEU-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCOCCOC)c([O-])c1 ZINC000809790098 843862173 /nfs/dbraw/zinc/86/21/73/843862173.db2.gz XVKRKWKLWSXJEU-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000848351917 843952626 /nfs/dbraw/zinc/95/26/26/843952626.db2.gz HOGUABJKHXNAPI-QWHCGFSZSA-N 0 3 290.363 1.845 20 10 CDCDHN O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000848351917 843952657 /nfs/dbraw/zinc/95/26/57/843952657.db2.gz HOGUABJKHXNAPI-QWHCGFSZSA-N 0 3 290.363 1.845 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(F)ccc1[O-] ZINC000704357785 844703606 /nfs/dbraw/zinc/70/36/06/844703606.db2.gz QYRWXTPQPCAGAQ-SKDRFNHKSA-N 0 3 266.316 1.803 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841752221 844965116 /nfs/dbraw/zinc/96/51/16/844965116.db2.gz NBITWEQFAKIDFJ-YGRLFVJLSA-N 0 3 284.787 1.763 20 10 CDCDHN O=C1C[C@@H](C[NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000846075188 845267627 /nfs/dbraw/zinc/26/76/27/845267627.db2.gz LTYGUIVFFYKOBA-NSHDSACASA-N 0 3 260.337 1.493 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)CC2 ZINC000886670234 845405452 /nfs/dbraw/zinc/40/54/52/845405452.db2.gz LDWFDWDVSJEDNB-MELADBBJSA-N 0 3 277.364 1.899 20 10 CDCDHN CCn1nccc1CNCc1ccc(OC)cc1O ZINC000793387588 845700802 /nfs/dbraw/zinc/70/08/02/845700802.db2.gz IDVYRYSYHISQHI-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN CCn1nccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387588 845700809 /nfs/dbraw/zinc/70/08/09/845700809.db2.gz IDVYRYSYHISQHI-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN COc1cccc(CN2CCC(O)(C(F)F)CC2)c1O ZINC000779207319 845746165 /nfs/dbraw/zinc/74/61/65/845746165.db2.gz QNZGFNKWZQFMOZ-UHFFFAOYSA-N 0 3 287.306 1.993 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000788536533 845983850 /nfs/dbraw/zinc/98/38/50/845983850.db2.gz PUEFYAHZRJNOHT-YGRLFVJLSA-N 0 3 267.325 1.030 20 10 CDCDHN C[C@@H](N[C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752074 846119083 /nfs/dbraw/zinc/11/90/83/846119083.db2.gz RDTRPYAQZIMGHC-MFKMUULPSA-N 0 3 275.352 1.208 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000876722286 846284870 /nfs/dbraw/zinc/28/48/70/846284870.db2.gz YZHWVAMFJICRPN-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000876722286 846284881 /nfs/dbraw/zinc/28/48/81/846284881.db2.gz YZHWVAMFJICRPN-CQSZACIVSA-N 0 3 265.353 1.674 20 10 CDCDHN C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000838149079 846318752 /nfs/dbraw/zinc/31/87/52/846318752.db2.gz VZBDGKVXTHQZNJ-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000838149079 846318763 /nfs/dbraw/zinc/31/87/63/846318763.db2.gz VZBDGKVXTHQZNJ-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN CCCNC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311852388 846854648 /nfs/dbraw/zinc/85/46/48/846854648.db2.gz JGJHXGWCTHXLBH-LBPRGKRZSA-N 0 3 262.353 1.885 20 10 CDCDHN COc1cccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842722203 847265649 /nfs/dbraw/zinc/26/56/49/847265649.db2.gz ZXVXDOYMRCPTLN-GFCCVEGCSA-N 0 3 292.379 1.890 20 10 CDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000830865548 847284173 /nfs/dbraw/zinc/28/41/73/847284173.db2.gz NYVJCDMIACWOTR-ZFWWWQNUSA-N 0 3 292.379 1.108 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312416411 847637654 /nfs/dbraw/zinc/63/76/54/847637654.db2.gz SMJHOJIEKQKFQA-AWEZNQCLSA-N 0 3 295.814 1.525 20 10 CDCDHN Cc1ccc(C[NH2+]CCC2(C)OCCO2)c([O-])c1 ZINC000877347319 847700749 /nfs/dbraw/zinc/70/07/49/847700749.db2.gz UAYWECXCUWTUNV-UHFFFAOYSA-N 0 3 251.326 1.943 20 10 CDCDHN CCCOc1ccc(CN[C@@H](CO)COC)cc1C ZINC000873117739 847835192 /nfs/dbraw/zinc/83/51/92/847835192.db2.gz MXAHUJWOPCJQDF-AWEZNQCLSA-N 0 3 267.369 1.881 20 10 CDCDHN Cc1ccc(C[NH2+]CCOC[C@H]2CCOC2)c([O-])c1 ZINC000877008179 847921517 /nfs/dbraw/zinc/92/15/17/847921517.db2.gz MHZGNECRODYOMA-ZDUSSCGKSA-N 0 3 265.353 1.843 20 10 CDCDHN CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000835076771 848011649 /nfs/dbraw/zinc/01/16/49/848011649.db2.gz VHZHSKPVHVCWMU-UHFFFAOYSA-N 0 3 280.368 1.795 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764624 912818559 /nfs/dbraw/zinc/81/85/59/912818559.db2.gz BHICFLCJIAJQNR-UONOGXRCSA-N 0 3 299.378 1.921 20 10 CDCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764624 912818576 /nfs/dbraw/zinc/81/85/76/912818576.db2.gz BHICFLCJIAJQNR-UONOGXRCSA-N 0 3 299.378 1.921 20 10 CDCDHN C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057085 894774481 /nfs/dbraw/zinc/77/44/81/894774481.db2.gz BKXXIPZLPYQZKG-ZIAGYGMSSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057085 894774492 /nfs/dbraw/zinc/77/44/92/894774492.db2.gz BKXXIPZLPYQZKG-ZIAGYGMSSA-N 0 3 269.316 1.097 20 10 CDCDHN CCN(CC)c1ccc(CN2CC(C(N)=O)C2)c(O)c1 ZINC001140855861 936764841 /nfs/dbraw/zinc/76/48/41/936764841.db2.gz MEMJKWVHFICPKI-UHFFFAOYSA-N 0 3 277.368 1.156 20 10 CDCDHN COc1cc(O)c(CN2CCOC[C@@H](C)C2)c(OC)c1 ZINC001141032068 936795460 /nfs/dbraw/zinc/79/54/60/936795460.db2.gz QXQQYRNZAXFRCZ-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN Oc1ccc(O)c(CN2CCc3nccn3CC2)c1 ZINC001141160767 936823290 /nfs/dbraw/zinc/82/32/90/936823290.db2.gz HTCZIGPBICPGIB-UHFFFAOYSA-N 0 3 259.309 1.353 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001274303726 931489224 /nfs/dbraw/zinc/48/92/24/931489224.db2.gz LFIAWSBOSVHCEM-MRXNPFEDSA-N 0 3 274.364 1.755 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001274303726 931489226 /nfs/dbraw/zinc/48/92/26/931489226.db2.gz LFIAWSBOSVHCEM-MRXNPFEDSA-N 0 3 274.364 1.755 20 10 CDCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277805 939751267 /nfs/dbraw/zinc/75/12/67/939751267.db2.gz APHYXDWFAGMKTF-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277805 939751268 /nfs/dbraw/zinc/75/12/68/939751268.db2.gz APHYXDWFAGMKTF-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN O=C1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)O1 ZINC001204278530 939751502 /nfs/dbraw/zinc/75/15/02/939751502.db2.gz FHRXTTZZGTVOBP-UHFFFAOYSA-N 0 3 277.320 1.769 20 10 CDCDHN O=c1cc2[nH]cnc(O[C@@H]3CNCCC3(F)F)c-2cc1O ZINC001218453143 941219965 /nfs/dbraw/zinc/21/99/65/941219965.db2.gz SCZFXPOCVFWTCE-LLVKDONJSA-N 0 3 297.261 1.417 20 10 CDCDHN [NH3+]CC1(F)CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001222539092 941610405 /nfs/dbraw/zinc/61/04/05/941610405.db2.gz VJLBAGSNQWVNIT-UHFFFAOYSA-N 0 3 274.286 1.933 20 10 CDCDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)c(O)cc1O ZINC001231633369 942949007 /nfs/dbraw/zinc/94/90/07/942949007.db2.gz NFBKBYQGPGJVSU-WDEREUQCSA-N 0 3 280.368 1.631 20 10 CDCDHN COc1cc(CN2CCOC[C@H](C)C2)c(O)cc1O ZINC001231634659 942949170 /nfs/dbraw/zinc/94/91/70/942949170.db2.gz QGZRLISZYFPLRZ-SNVBAGLBSA-N 0 3 267.325 1.575 20 10 CDCDHN CCN(Cc1cc(OC)c(O)cc1O)C1CN(C)C1 ZINC001231638745 942952974 /nfs/dbraw/zinc/95/29/74/942952974.db2.gz FWKRQFUPUGWYSK-UHFFFAOYSA-N 0 3 266.341 1.242 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)c(O)c2)[C@H](C)C1 ZINC001233018574 943465925 /nfs/dbraw/zinc/46/59/25/943465925.db2.gz ZOCQHALXNAYNMO-SNVBAGLBSA-N 0 3 266.341 1.329 20 10 CDCDHN COc1cc(O)c(CN2CC3(CN(C)C3)C2)cc1OC ZINC001236755690 944557981 /nfs/dbraw/zinc/55/79/81/944557981.db2.gz GPBUGWWVBMXQBQ-UHFFFAOYSA-N 0 3 278.352 1.157 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236783604 944565665 /nfs/dbraw/zinc/56/56/65/944565665.db2.gz MXYQMFQNCOAVAR-CVEARBPZSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236783604 944565672 /nfs/dbraw/zinc/56/56/72/944565672.db2.gz MXYQMFQNCOAVAR-CVEARBPZSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+](C)CCC(=O)NC)c([O-])c1 ZINC001236786734 944569007 /nfs/dbraw/zinc/56/90/07/944569007.db2.gz HMNUPZCHOSATKM-UHFFFAOYSA-N 0 3 250.342 1.523 20 10 CDCDHN CCc1ccc(C[N@@H+](C)CCC(=O)NC)c([O-])c1 ZINC001236786734 944569015 /nfs/dbraw/zinc/56/90/15/944569015.db2.gz HMNUPZCHOSATKM-UHFFFAOYSA-N 0 3 250.342 1.523 20 10 CDCDHN CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)c(C)cc1[O-] ZINC001237172231 944673122 /nfs/dbraw/zinc/67/31/22/944673122.db2.gz DZHSEFGIBAFFFE-JSGCOSHPSA-N 0 3 284.787 1.773 20 10 CDCDHN COc1cc(CN2CCC(O)CC2)c(O)c(OC)c1 ZINC001237675611 944921075 /nfs/dbraw/zinc/92/10/75/944921075.db2.gz YRVFOGCQHUNNJY-UHFFFAOYSA-N 0 3 267.325 1.366 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001249172423 949438897 /nfs/dbraw/zinc/43/88/97/949438897.db2.gz MJKWYDLGBNQQAW-ZDUSSCGKSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001249172423 949438904 /nfs/dbraw/zinc/43/89/04/949438904.db2.gz MJKWYDLGBNQQAW-ZDUSSCGKSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001249208572 949458609 /nfs/dbraw/zinc/45/86/09/949458609.db2.gz WXBBAYYWNUYHSZ-ZSOGYDGISA-N 0 3 293.338 1.755 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001249208572 949458624 /nfs/dbraw/zinc/45/86/24/949458624.db2.gz WXBBAYYWNUYHSZ-ZSOGYDGISA-N 0 3 293.338 1.755 20 10 CDCDHN O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001595079533 951667960 /nfs/dbraw/zinc/66/79/60/951667960.db2.gz NUBBKGAVXTWCCO-UHFFFAOYSA-N 0 3 298.770 1.684 20 10 CDCDHN CCOC(=O)C[C@H](O)CNCc1ccc(OC)c(C)c1 ZINC001253811180 952131837 /nfs/dbraw/zinc/13/18/37/952131837.db2.gz TYEYFVVPTMMMQY-ZDUSSCGKSA-N 0 3 281.352 1.407 20 10 CDCDHN C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(F)ccc1[O-] ZINC001342388700 963729025 /nfs/dbraw/zinc/72/90/25/963729025.db2.gz BWWMTLVFJBWATF-LBPRGKRZSA-N 0 3 296.386 1.886 20 10 CDCDHN CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200617000 968596780 /nfs/dbraw/zinc/59/67/80/968596780.db2.gz CEQBEMNXJBANEH-UHFFFAOYSA-N 0 3 279.409 1.451 20 10 CDCDHN Nc1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001356238915 969362434 /nfs/dbraw/zinc/36/24/34/969362434.db2.gz MGTYWCNCSKCDAO-CQSZACIVSA-N 0 3 261.369 1.793 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCCNC[C@H]2C(=O)[O-])c1O ZINC001605704220 1163646191 /nfs/dbraw/zinc/64/61/91/1163646191.db2.gz CRFZJMURDJOYKJ-LBPRGKRZSA-N 0 3 294.351 1.039 20 10 CDCDHN CC(=O)c1cc(F)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1[O-] ZINC001575033584 1171089604 /nfs/dbraw/zinc/08/96/04/1171089604.db2.gz SCQCULJBLKTAGC-JTQLQIEISA-N 0 3 294.248 1.713 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000092455759 342412426 /nfs/dbraw/zinc/41/24/26/342412426.db2.gz IPAOLGXINSQZSH-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000092455759 342412427 /nfs/dbraw/zinc/41/24/27/342412427.db2.gz IPAOLGXINSQZSH-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCC(O)(CC)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000112017942 365853292 /nfs/dbraw/zinc/85/32/92/365853292.db2.gz VNRGORDCIHLACN-UHFFFAOYSA-N 0 3 267.325 1.762 20 10 CDCDHN CO[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000076266302 356954606 /nfs/dbraw/zinc/95/46/06/356954606.db2.gz WEBSCKKDSKOYJV-NSHDSACASA-N 0 3 265.309 1.732 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000180197950 357251325 /nfs/dbraw/zinc/25/13/25/357251325.db2.gz MSVSBUWKYYTSHW-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000180197950 357251328 /nfs/dbraw/zinc/25/13/28/357251328.db2.gz MSVSBUWKYYTSHW-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000281197134 363745306 /nfs/dbraw/zinc/74/53/06/363745306.db2.gz ISFNXYUNTPIMCT-NSHDSACASA-N 0 3 289.759 1.541 20 10 CDCDHN CN1CCC(O)(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272362068 363817042 /nfs/dbraw/zinc/81/70/42/363817042.db2.gz FOZHLOTXWHEZRO-UHFFFAOYSA-N 0 3 268.332 1.078 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000273460907 365497917 /nfs/dbraw/zinc/49/79/17/365497917.db2.gz CQWVZAXEUSOEDU-ZUZCIYMTSA-N 0 3 291.351 1.519 20 10 CDCDHN C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296189307 371413680 /nfs/dbraw/zinc/41/36/80/371413680.db2.gz YKZMHUYHMBHEFV-YPMHNXCESA-N 0 3 274.364 1.980 20 10 CDCDHN CCS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1O ZINC000185330775 378653436 /nfs/dbraw/zinc/65/34/36/378653436.db2.gz NGTNCYQQOXWUOU-NSHDSACASA-N 0 3 271.382 1.786 20 10 CDCDHN COC[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133719409 390937493 /nfs/dbraw/zinc/93/74/93/390937493.db2.gz RPFJPRYPGOACQI-AWEZNQCLSA-N 0 3 278.396 1.990 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915429 390899726 /nfs/dbraw/zinc/89/97/26/390899726.db2.gz DYZJXMDYRUXNKN-ZDUSSCGKSA-N 0 3 295.358 1.016 20 10 CDCDHN CCOc1cccc(CN(CCOC)CCOC)c1O ZINC000133419150 390902874 /nfs/dbraw/zinc/90/28/74/390902874.db2.gz HJGCMIWWOWEILO-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000124817102 391227052 /nfs/dbraw/zinc/22/70/52/391227052.db2.gz GROVLMBEKRFLSG-AWEZNQCLSA-N 0 3 263.385 1.036 20 10 CDCDHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000376412181 391229120 /nfs/dbraw/zinc/22/91/20/391229120.db2.gz HDLJYKARIUZIBJ-WCQYABFASA-N 0 3 290.363 1.797 20 10 CDCDHN CCCN(Cc1ccccc1O)CC1OCCO1 ZINC000182374260 391234244 /nfs/dbraw/zinc/23/42/44/391234244.db2.gz REHJVUDAZREXJQ-UHFFFAOYSA-N 0 3 251.326 1.977 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000182430687 391235186 /nfs/dbraw/zinc/23/51/86/391235186.db2.gz WEFHFZFENFCGCO-CYBMUJFWSA-N 0 3 255.383 1.904 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179578971 391212599 /nfs/dbraw/zinc/21/25/99/391212599.db2.gz KVGYASHYMKFKDR-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179578971 391212604 /nfs/dbraw/zinc/21/26/04/391212604.db2.gz KVGYASHYMKFKDR-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000183374632 391262966 /nfs/dbraw/zinc/26/29/66/391262966.db2.gz NSOCVCBWXRFKIO-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000183374632 391262971 /nfs/dbraw/zinc/26/29/71/391262971.db2.gz NSOCVCBWXRFKIO-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000183374632 391262975 /nfs/dbraw/zinc/26/29/75/391262975.db2.gz NSOCVCBWXRFKIO-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195008185 391373903 /nfs/dbraw/zinc/37/39/03/391373903.db2.gz RBTOWCASOPMXHD-PELKAZGASA-N 0 3 298.770 1.668 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000372371268 391850605 /nfs/dbraw/zinc/85/06/05/391850605.db2.gz WIQCGHMTWUWNSU-GFCCVEGCSA-N 0 3 274.324 1.439 20 10 CDCDHN COc1cccc(CNCc2cn(C)nc2C)c1O ZINC000020352697 171156554 /nfs/dbraw/zinc/15/65/54/171156554.db2.gz IUXVJNXLSSHXCU-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCCN2CCOCC2)c1 ZINC000071406594 176155731 /nfs/dbraw/zinc/15/57/31/176155731.db2.gz LBSNLQWQWPFPLJ-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000186178332 262083471 /nfs/dbraw/zinc/08/34/71/262083471.db2.gz ZHKCYZROLNUMLE-FZMZJTMJSA-N 0 3 251.326 1.503 20 10 CDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000186530707 262097594 /nfs/dbraw/zinc/09/75/94/262097594.db2.gz CFPPDKRRGKLTRJ-AAOUONPWSA-N 0 3 251.326 1.818 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](O)C1)OCO2 ZINC000188797462 264250525 /nfs/dbraw/zinc/25/05/25/264250525.db2.gz OTNZEVLVQHBULE-KOLCDFICSA-N 0 3 265.309 1.372 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC2 ZINC000295778147 280454523 /nfs/dbraw/zinc/45/45/23/280454523.db2.gz ARMIHTQVEFOXOY-WCBMZHEXSA-N 0 3 261.243 1.892 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000179028413 327798089 /nfs/dbraw/zinc/79/80/89/327798089.db2.gz IFVNAHBKJOBQHB-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN COc1cccc(C[NH+]2CCC(CNC(C)=O)CC2)c1[O-] ZINC000219488066 333151171 /nfs/dbraw/zinc/15/11/71/333151171.db2.gz OWYDPZBSDGYIDX-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000234966227 333363455 /nfs/dbraw/zinc/36/34/55/333363455.db2.gz UHDWHLCTJYOKHJ-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000234966227 333363457 /nfs/dbraw/zinc/36/34/57/333363457.db2.gz UHDWHLCTJYOKHJ-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000188501348 520215457 /nfs/dbraw/zinc/21/54/57/520215457.db2.gz UDTAXLMLRLNFGU-MNOVXSKESA-N 0 3 280.368 1.918 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001168966825 1161996307 /nfs/dbraw/zinc/99/63/07/1161996307.db2.gz LLOCRPAHHBJKJZ-JQWIXIFHSA-N 0 3 250.298 1.927 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001168966826 1161996474 /nfs/dbraw/zinc/99/64/74/1161996474.db2.gz LLOCRPAHHBJKJZ-PWSUYJOCSA-N 0 3 250.298 1.927 20 10 CDCDHN CC(C)NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617118 519709085 /nfs/dbraw/zinc/70/90/85/519709085.db2.gz RCGRVJUZYQAUMN-SECBINFHSA-N 0 3 254.305 1.707 20 10 CDCDHN CNC(=O)CN1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000158102942 524072243 /nfs/dbraw/zinc/07/22/43/524072243.db2.gz XAAQSXIDFVGTSO-UHFFFAOYSA-N 0 3 291.395 1.001 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289537605 524410458 /nfs/dbraw/zinc/41/04/58/524410458.db2.gz HWICPJDQFXMRIF-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289537605 524410463 /nfs/dbraw/zinc/41/04/63/524410463.db2.gz HWICPJDQFXMRIF-GOEBONIOSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1ccc(O)c(CNCC2(S(C)(=O)=O)CCC2)c1 ZINC000279791483 524749460 /nfs/dbraw/zinc/74/94/60/524749460.db2.gz MJWJNXBEENNWEH-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000227965288 525348154 /nfs/dbraw/zinc/34/81/54/525348154.db2.gz JYZSUHVGTPFEIC-FZMZJTMJSA-N 0 3 251.326 1.330 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289434961 525350531 /nfs/dbraw/zinc/35/05/31/525350531.db2.gz LFWZUJQSRRRQLP-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800931 525360120 /nfs/dbraw/zinc/36/01/20/525360120.db2.gz ROCNVGCTTHTGLE-ZIAGYGMSSA-N 0 3 277.412 1.597 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)ccc1[O-] ZINC000094618237 525398826 /nfs/dbraw/zinc/39/88/26/525398826.db2.gz DDGDQEYVHYGYTN-WCQYABFASA-N 0 3 281.375 1.428 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1 ZINC000068800527 525732058 /nfs/dbraw/zinc/73/20/58/525732058.db2.gz KPPGIUKOZPLNFD-KGLIPLIRSA-N 0 3 277.412 1.597 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000234980256 525951903 /nfs/dbraw/zinc/95/19/03/525951903.db2.gz LLDCHIQAKPPJHH-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000234980256 525951912 /nfs/dbraw/zinc/95/19/12/525951912.db2.gz LLDCHIQAKPPJHH-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141900933 525955930 /nfs/dbraw/zinc/95/59/30/525955930.db2.gz ZAYJVDOWRNTVIM-TXEJJXNPSA-N 0 3 264.369 1.925 20 10 CDCDHN COc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O ZINC000279746863 526014750 /nfs/dbraw/zinc/01/47/50/526014750.db2.gz YCRSYXNMMDOODO-UHFFFAOYSA-N 0 3 285.365 1.068 20 10 CDCDHN O=C(NCc1ccccc1O)N[C@@H]1CCN(C2CC2)C1 ZINC000734271672 575334199 /nfs/dbraw/zinc/33/41/99/575334199.db2.gz DOULMVNMCAQPST-GFCCVEGCSA-N 0 3 275.352 1.428 20 10 CDCDHN COC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446398 576284120 /nfs/dbraw/zinc/28/41/20/576284120.db2.gz JZYYUDAOBIQNQW-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446398 576284122 /nfs/dbraw/zinc/28/41/22/576284122.db2.gz JZYYUDAOBIQNQW-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768466178 576288072 /nfs/dbraw/zinc/28/80/72/576288072.db2.gz NNJQNTMWYVGSAQ-RBZYPMLTSA-N 0 3 263.337 1.906 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768466178 576288074 /nfs/dbraw/zinc/28/80/74/576288074.db2.gz NNJQNTMWYVGSAQ-RBZYPMLTSA-N 0 3 263.337 1.906 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(NC(C)=O)CC1 ZINC000769191685 576336918 /nfs/dbraw/zinc/33/69/18/576336918.db2.gz BJXAVLDIQXHCTP-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322741 576905715 /nfs/dbraw/zinc/90/57/15/576905715.db2.gz UHLYWQUPTKYMJU-KOLCDFICSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322741 576905716 /nfs/dbraw/zinc/90/57/16/576905716.db2.gz UHLYWQUPTKYMJU-KOLCDFICSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322741 576905717 /nfs/dbraw/zinc/90/57/17/576905717.db2.gz UHLYWQUPTKYMJU-KOLCDFICSA-N 0 3 268.382 1.866 20 10 CDCDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(C)c1[O-] ZINC000757926332 577061104 /nfs/dbraw/zinc/06/11/04/577061104.db2.gz LIFXZIZWYBHJFV-HNNXBMFYSA-N 0 3 281.352 1.758 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922623163 618313284 /nfs/dbraw/zinc/31/32/84/618313284.db2.gz HQSHUCKCQFXNTB-UHFFFAOYSA-N 0 3 293.363 1.530 20 10 CDCDHN Fc1cc(CNCc2cnc[nH]2)ccc1N1CCOCC1 ZINC000894193505 618680128 /nfs/dbraw/zinc/68/01/28/618680128.db2.gz QZFSTVHCHHHLFK-UHFFFAOYSA-N 0 3 290.342 1.675 20 10 CDCDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc3c(c2)CCO3)C1(F)F ZINC000894213680 618728904 /nfs/dbraw/zinc/72/89/04/618728904.db2.gz PKACJZJUKLUENS-YPMHNXCESA-N 0 3 297.301 1.765 20 10 CDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc2c(c1)CCO2 ZINC000895316055 619546598 /nfs/dbraw/zinc/54/65/98/619546598.db2.gz HJLZMRUWKMYGPQ-CYBMUJFWSA-N 0 3 260.337 1.236 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c([O-])c1 ZINC000895749388 619821551 /nfs/dbraw/zinc/82/15/51/619821551.db2.gz QSKIHHPCBGPFBR-KBPBESRZSA-N 0 3 265.353 1.720 20 10 CDCDHN CC[N@H+](CCC(=O)NC)Cc1ccc(C)cc1[O-] ZINC000897709697 621082657 /nfs/dbraw/zinc/08/26/57/621082657.db2.gz RKVGBKIOZSUUJO-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CC[N@@H+](CCC(=O)NC)Cc1ccc(C)cc1[O-] ZINC000897709697 621082659 /nfs/dbraw/zinc/08/26/59/621082659.db2.gz RKVGBKIOZSUUJO-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])c1O ZINC001605704220 1163646187 /nfs/dbraw/zinc/64/61/87/1163646187.db2.gz CRFZJMURDJOYKJ-LBPRGKRZSA-N 0 3 294.351 1.039 20 10 CDCDHN CC[C@@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996053 697808642 /nfs/dbraw/zinc/80/86/42/697808642.db2.gz NBPCFUNOKAHMQH-GFCCVEGCSA-N 0 3 292.314 1.784 20 10 CDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000858252493 697809675 /nfs/dbraw/zinc/80/96/75/697809675.db2.gz JAOGMZBIBVTGKX-CHWSQXEVSA-N 0 3 298.408 1.342 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH3+])C2)c1[O-] ZINC000050250416 697902782 /nfs/dbraw/zinc/90/27/82/697902782.db2.gz NQGYEHXLHVPXTN-SNVBAGLBSA-N 0 3 266.316 1.515 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838911905 698073601 /nfs/dbraw/zinc/07/36/01/698073601.db2.gz BSIAGQJKUAXLQK-AAEUAGOBSA-N 0 3 262.353 1.959 20 10 CDCDHN CCc1cccc(CN[C@@H](CO)c2cnn(C)c2)c1O ZINC000848900617 698242597 /nfs/dbraw/zinc/24/25/97/698242597.db2.gz OPCHWWZEDDURKA-AWEZNQCLSA-N 0 3 275.352 1.511 20 10 CDCDHN COc1cccc(CN2CCSC[C@H]2CO)c1O ZINC000877779860 698492256 /nfs/dbraw/zinc/49/22/56/698492256.db2.gz GJNQNZIOJXOCCV-LLVKDONJSA-N 0 3 269.366 1.311 20 10 CDCDHN CN1CC[C@@](O)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790986222 698538298 /nfs/dbraw/zinc/53/82/98/698538298.db2.gz JYCPAHKPVPBODA-CYBMUJFWSA-N 0 3 288.750 1.341 20 10 CDCDHN C[N@@H+]1CC[C@@](O)(CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986222 698538313 /nfs/dbraw/zinc/53/83/13/698538313.db2.gz JYCPAHKPVPBODA-CYBMUJFWSA-N 0 3 288.750 1.341 20 10 CDCDHN C[N@H+]1CC[C@@](O)(CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986222 698538329 /nfs/dbraw/zinc/53/83/29/698538329.db2.gz JYCPAHKPVPBODA-CYBMUJFWSA-N 0 3 288.750 1.341 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320078 698701384 /nfs/dbraw/zinc/70/13/84/698701384.db2.gz JDOGFVMHDJHUKM-QWRGUYRKSA-N 0 3 252.745 1.697 20 10 CDCDHN COC[C@H](C)NC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849024819 704821655 /nfs/dbraw/zinc/82/16/55/704821655.db2.gz BBDRIVYAZLRCER-VIFPVBQESA-N 0 3 267.329 1.050 20 10 CDCDHN N[C@H](CC(F)F)C(=O)NCCCSc1nccs1 ZINC000829528265 704833245 /nfs/dbraw/zinc/83/32/45/704833245.db2.gz NVGCBSHEEGWAIN-SSDOTTSWSA-N 0 3 295.380 1.724 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(C(N)=O)CCOCC1 ZINC000876929622 704894171 /nfs/dbraw/zinc/89/41/71/704894171.db2.gz KYLPGWGINMYMRH-UHFFFAOYSA-N 0 3 278.352 1.072 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852437801 705028413 /nfs/dbraw/zinc/02/84/13/705028413.db2.gz HYKISHVRXPLAKJ-OAHLLOKOSA-N 0 3 289.379 1.779 20 10 CDCDHN CON(C)C(=O)[C@H](C)NCc1cc(C)ccc1O ZINC000858320099 848377874 /nfs/dbraw/zinc/37/78/74/848377874.db2.gz OCFGCLUWBBYOPQ-JTQLQIEISA-N 0 3 252.314 1.199 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)NC1CC1 ZINC000840945655 848673147 /nfs/dbraw/zinc/67/31/47/848673147.db2.gz SYYXKRCUGXRUAJ-UHFFFAOYSA-N 0 3 261.369 1.429 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)c(O)co2)c1 ZINC000775369937 848879529 /nfs/dbraw/zinc/87/95/29/848879529.db2.gz JFOIXPLVRNNIRX-SECBINFHSA-N 0 3 291.303 1.910 20 10 CDCDHN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[O-] ZINC000783507648 849044869 /nfs/dbraw/zinc/04/48/69/849044869.db2.gz CVYDOBVYQFQNRI-OLZOCXBDSA-N 0 3 264.369 1.764 20 10 CDCDHN CCN(CC)c1ccc(CN(CCO)CCO)cc1F ZINC000862429088 849191256 /nfs/dbraw/zinc/19/12/56/849191256.db2.gz AMRKIRBBWDCNKR-UHFFFAOYSA-N 0 3 284.375 1.459 20 10 CDCDHN CCCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000096942650 849305667 /nfs/dbraw/zinc/30/56/67/849305667.db2.gz VYECVAJWDGHOAC-UHFFFAOYSA-N 0 3 278.352 1.649 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)CC(N)=O)c([O-])c1 ZINC000776251239 849312431 /nfs/dbraw/zinc/31/24/31/849312431.db2.gz RTVFHOASUSDSCP-VIFPVBQESA-N 0 3 252.314 1.144 20 10 CDCDHN CN1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000704346658 849419423 /nfs/dbraw/zinc/41/94/23/849419423.db2.gz YSIMYHJDFUVKGC-RYUDHWBXSA-N 0 3 260.337 1.590 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(C)=O)C2)c1 ZINC000179691479 849513852 /nfs/dbraw/zinc/51/38/52/849513852.db2.gz GLUKDMJLFLTXHX-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2CC)c([O-])c1 ZINC000883360989 849584071 /nfs/dbraw/zinc/58/40/71/849584071.db2.gz QMFGOYOLDLFZFG-ZDUSSCGKSA-N 0 3 264.369 1.975 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000877141980 849638787 /nfs/dbraw/zinc/63/87/87/849638787.db2.gz OAQHQCPKHOJHMP-AWEZNQCLSA-N 0 3 293.363 1.712 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccccc1[O-] ZINC000842912693 849682723 /nfs/dbraw/zinc/68/27/23/849682723.db2.gz UXTUDYDDUFUUPT-OUCADQQQSA-N 0 3 251.326 1.847 20 10 CDCDHN CC(C)C(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582688 849848084 /nfs/dbraw/zinc/84/80/84/849848084.db2.gz LLNNMDRPTRQUBA-UHFFFAOYSA-N 0 3 254.305 1.393 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000779199486 849984542 /nfs/dbraw/zinc/98/45/42/849984542.db2.gz BAFUPQRBKUMAPD-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000779199486 849984552 /nfs/dbraw/zinc/98/45/52/849984552.db2.gz BAFUPQRBKUMAPD-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CCN1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000391500081 850005772 /nfs/dbraw/zinc/00/57/72/850005772.db2.gz VOBKOFQJNVINMV-NWDGAFQWSA-N 0 3 262.353 1.972 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000785985294 850306518 /nfs/dbraw/zinc/30/65/18/850306518.db2.gz UMKCOFSLEHVOLA-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000785985294 850306530 /nfs/dbraw/zinc/30/65/30/850306530.db2.gz UMKCOFSLEHVOLA-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000825278779 850357940 /nfs/dbraw/zinc/35/79/40/850357940.db2.gz IVRQUHLDBJRXDW-VHSXEESVSA-N 0 3 264.325 1.144 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000715731134 921187190 /nfs/dbraw/zinc/18/71/90/921187190.db2.gz KMSOYEDBKNLRAS-GFCCVEGCSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204278748 916589175 /nfs/dbraw/zinc/58/91/75/916589175.db2.gz JLGGFNZPODGMFQ-GWCFXTLKSA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204278748 916589188 /nfs/dbraw/zinc/58/91/88/916589188.db2.gz JLGGFNZPODGMFQ-GWCFXTLKSA-N 0 3 279.336 1.871 20 10 CDCDHN CN1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]21 ZINC001181900839 917457476 /nfs/dbraw/zinc/45/74/76/917457476.db2.gz MOCHGCQCRDTIPW-RNCFNFMXSA-N 0 3 268.307 1.806 20 10 CDCDHN CN1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]21 ZINC001181900839 917457485 /nfs/dbraw/zinc/45/74/85/917457485.db2.gz MOCHGCQCRDTIPW-RNCFNFMXSA-N 0 3 268.307 1.806 20 10 CDCDHN COc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1 ZINC001203627563 919779616 /nfs/dbraw/zinc/77/96/16/919779616.db2.gz JBTWHEUBEALQKS-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1 ZINC001203627563 919779631 /nfs/dbraw/zinc/77/96/31/919779631.db2.gz JBTWHEUBEALQKS-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)C1COC1 ZINC001139409651 936618077 /nfs/dbraw/zinc/61/80/77/936618077.db2.gz OQHXKCOSVBFPHW-UHFFFAOYSA-N 0 3 275.396 1.269 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@H](C(C)=O)C2)c(OC)c1 ZINC001141030980 936794921 /nfs/dbraw/zinc/79/49/21/936794921.db2.gz TTYOACCXYWPUTA-LLVKDONJSA-N 0 3 279.336 1.820 20 10 CDCDHN COCCN(C)Cc1c(O)cc(OC)cc1OC ZINC001141031767 936795503 /nfs/dbraw/zinc/79/55/03/936795503.db2.gz KJRNFLCMCJLKLP-UHFFFAOYSA-N 0 3 255.314 1.488 20 10 CDCDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284777 925744960 /nfs/dbraw/zinc/74/49/60/925744960.db2.gz LKDFHELAHHHGLM-ZDUSSCGKSA-N 0 3 292.354 1.879 20 10 CDCDHN C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001116852130 937476153 /nfs/dbraw/zinc/47/61/53/937476153.db2.gz UBZRSNLIMRCQMA-NWDGAFQWSA-N 0 3 278.352 1.700 20 10 CDCDHN Nc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC001120263451 937790114 /nfs/dbraw/zinc/79/01/14/937790114.db2.gz OWNZRSHZDFYQPD-UHFFFAOYSA-N 0 3 273.380 1.856 20 10 CDCDHN CCOC(=O)CC[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203627766 939697691 /nfs/dbraw/zinc/69/76/91/939697691.db2.gz OAONWSCDLYMLCO-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CCOC(=O)CC[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203627766 939697694 /nfs/dbraw/zinc/69/76/94/939697694.db2.gz OAONWSCDLYMLCO-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CN(C)C(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277724 939751289 /nfs/dbraw/zinc/75/12/89/939751289.db2.gz JCHPBZAHBWTBCD-UHFFFAOYSA-N 0 3 293.367 1.333 20 10 CDCDHN COc1cc(CN2CCN(CC3CC3)CC2)cc(O)c1O ZINC001204341460 939757099 /nfs/dbraw/zinc/75/70/99/939757099.db2.gz CSXUHUAQNOWCMB-UHFFFAOYSA-N 0 3 292.379 1.634 20 10 CDCDHN CCN(CCC(=O)OC)Cc1cc(O)c(O)c(OC)c1 ZINC001204350007 939759565 /nfs/dbraw/zinc/75/95/65/939759565.db2.gz ZZGBENNEKWJNHS-UHFFFAOYSA-N 0 3 283.324 1.491 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001204767777 939789009 /nfs/dbraw/zinc/78/90/09/939789009.db2.gz DRDQFSTUEFTWKA-NSHDSACASA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001204767777 939789012 /nfs/dbraw/zinc/78/90/12/939789012.db2.gz DRDQFSTUEFTWKA-NSHDSACASA-N 0 3 251.326 1.930 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(O)cc2O)[C@H](C)C1 ZINC001231641042 942956224 /nfs/dbraw/zinc/95/62/24/942956224.db2.gz XVKMDXXYDROPEG-LLVKDONJSA-N 0 3 280.368 1.632 20 10 CDCDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N(C)C)c(O)c1 ZINC001277569467 943021162 /nfs/dbraw/zinc/02/11/62/943021162.db2.gz ZGQDUZUROVCQJC-CJNGLKHVSA-N 0 3 274.364 1.753 20 10 CDCDHN OCC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233483988 943590898 /nfs/dbraw/zinc/59/08/98/943590898.db2.gz UBLYWWUAPGEFCM-UHFFFAOYSA-N 0 3 253.298 1.008 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235989986 944354594 /nfs/dbraw/zinc/35/45/94/944354594.db2.gz LCIWKQRQZWNCBX-QMTHXVAHSA-N 0 3 282.771 1.977 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001236202191 944430280 /nfs/dbraw/zinc/43/02/80/944430280.db2.gz RNYVHCUOJJJZGW-JQWIXIFHSA-N 0 3 298.770 1.429 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1[NH3+] ZINC001236362880 944484773 /nfs/dbraw/zinc/48/47/73/944484773.db2.gz ZMQVNMRMPLIMPZ-PWSUYJOCSA-N 0 3 298.770 1.286 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236784630 944566319 /nfs/dbraw/zinc/56/63/19/944566319.db2.gz XLCFOVOEZNGZDJ-DZGCQCFKSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236784630 944566321 /nfs/dbraw/zinc/56/63/21/944566321.db2.gz XLCFOVOEZNGZDJ-DZGCQCFKSA-N 0 3 265.353 1.130 20 10 CDCDHN COc1cc(C)c(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001236817466 944580224 /nfs/dbraw/zinc/58/02/24/944580224.db2.gz DXEKTKDWXFPPGI-LBPRGKRZSA-N 0 3 264.325 1.159 20 10 CDCDHN COc1cc(CN2CC(N3CCCC3)C2)c(O)c(OC)c1 ZINC001237675149 944921578 /nfs/dbraw/zinc/92/15/78/944921578.db2.gz ARBNKZQXRJEBRP-UHFFFAOYSA-N 0 3 292.379 1.689 20 10 CDCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1[O-] ZINC001325720694 954044177 /nfs/dbraw/zinc/04/41/77/954044177.db2.gz GCIMOWXDJSXPOZ-XUJCCDQDSA-N 0 3 254.280 1.539 20 10 CDCDHN Nc1ccc(CNCC(=O)NCC(F)(F)F)cc1 ZINC001356082713 969328633 /nfs/dbraw/zinc/32/86/33/969328633.db2.gz DLGQJXOKYOFBGD-UHFFFAOYSA-N 0 3 261.247 1.037 20 10 CDCDHN CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1c([O-])cccc1F ZINC001522792570 970560367 /nfs/dbraw/zinc/56/03/67/970560367.db2.gz YLDHQNGEEDHXRB-LBPRGKRZSA-N 0 3 268.332 1.911 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000179773968 357223112 /nfs/dbraw/zinc/22/31/12/357223112.db2.gz NHAIIOYAYLIIHD-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000179773968 357223116 /nfs/dbraw/zinc/22/31/16/357223116.db2.gz NHAIIOYAYLIIHD-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COc1ccc(O)c(CN2CCN(CC3CC3)CC2)c1 ZINC000179754007 357223893 /nfs/dbraw/zinc/22/38/93/357223893.db2.gz PVFGSBYLWKRURP-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN CS(=O)(=O)CCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000187692724 357795970 /nfs/dbraw/zinc/79/59/70/357795970.db2.gz QGBVIOLERCCKES-UHFFFAOYSA-N 0 3 289.372 1.836 20 10 CDCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272845 364171627 /nfs/dbraw/zinc/17/16/27/364171627.db2.gz UJKLMLGARXONGB-XHDPSFHLSA-N 0 3 273.380 1.410 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000269892509 364371661 /nfs/dbraw/zinc/37/16/61/364371661.db2.gz CQYRFCGLUQMLLN-WBVHZDCISA-N 0 3 287.359 1.966 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC[C@H](C)CO)cc1OC ZINC000271869435 365002629 /nfs/dbraw/zinc/00/26/29/365002629.db2.gz XGDCTXQCGOYHGL-NSHDSACASA-N 0 3 283.368 1.908 20 10 CDCDHN CC[C@H]([NH2+]CC1(CO)COC1)c1ccccc1[O-] ZINC000271689742 364994058 /nfs/dbraw/zinc/99/40/58/364994058.db2.gz KAQSWBKMLOALQD-LBPRGKRZSA-N 0 3 251.326 1.442 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)N2CCOCC2)c1 ZINC000181232980 365025950 /nfs/dbraw/zinc/02/59/50/365025950.db2.gz ZQTZUOIAPROXSN-LBPRGKRZSA-N 0 3 278.352 1.210 20 10 CDCDHN Cc1ccc([C@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490436 365500926 /nfs/dbraw/zinc/50/09/26/365500926.db2.gz OCMBNWPAKVOWNH-SMDDNHRTSA-N 0 3 275.352 1.818 20 10 CDCDHN C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000230991668 367538530 /nfs/dbraw/zinc/53/85/30/367538530.db2.gz FZVWDYQIIABODD-VIFPVBQESA-N 0 3 290.360 1.073 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCCF)c1 ZINC000282963842 368124501 /nfs/dbraw/zinc/12/45/01/368124501.db2.gz ZULVUCIBSJRPPO-NXEZZACHSA-N 0 3 284.331 1.526 20 10 CDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccccc1O ZINC000287733541 369294148 /nfs/dbraw/zinc/29/41/48/369294148.db2.gz ZGZWLJWZWYWQGP-JTQLQIEISA-N 0 3 251.330 1.142 20 10 CDCDHN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N(C)C)cc1 ZINC000288640672 369478812 /nfs/dbraw/zinc/47/88/12/369478812.db2.gz UHVYLGDNIURZRX-SMDDNHRTSA-N 0 3 282.409 1.275 20 10 CDCDHN CN1CCN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295892061 371401234 /nfs/dbraw/zinc/40/12/34/371401234.db2.gz IGJWOFQKWLIATJ-OAHLLOKOSA-N 0 3 289.423 1.607 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000293589741 378574769 /nfs/dbraw/zinc/57/47/69/378574769.db2.gz FIHVPMSDYVLXFE-GFCCVEGCSA-N 0 3 253.342 1.669 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179568192 391211849 /nfs/dbraw/zinc/21/18/49/391211849.db2.gz TZNUMQBKBRQYPD-ZDUSSCGKSA-N 0 3 263.337 1.977 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179568192 391211851 /nfs/dbraw/zinc/21/18/51/391211851.db2.gz TZNUMQBKBRQYPD-ZDUSSCGKSA-N 0 3 263.337 1.977 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000183547623 391267245 /nfs/dbraw/zinc/26/72/45/391267245.db2.gz FTHRPIQNRPSJDJ-GXTWGEPZSA-N 0 3 292.379 1.680 20 10 CDCDHN COC(=O)N1CC([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183622513 391267574 /nfs/dbraw/zinc/26/75/74/391267574.db2.gz SWGHMFJQEBXAKQ-SECBINFHSA-N 0 3 250.298 1.493 20 10 CDCDHN Nc1ccc(CC(=O)Nc2cnc3c(c2)CNCC3)cc1 ZINC000362275944 391717024 /nfs/dbraw/zinc/71/70/24/391717024.db2.gz HHENDYNRYXJTQH-UHFFFAOYSA-N 0 3 282.347 1.491 20 10 CDCDHN Cc1cc(O)c(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1C ZINC000372746595 391863877 /nfs/dbraw/zinc/86/38/77/391863877.db2.gz WVUNNSAABHHFRZ-CYBMUJFWSA-N 0 3 298.408 1.262 20 10 CDCDHN CCn1nncc1CNCc1cccc(OC)c1O ZINC000527726820 392987710 /nfs/dbraw/zinc/98/77/10/392987710.db2.gz KRHJBLPACPLEOO-UHFFFAOYSA-N 0 3 262.313 1.302 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCN2CCOCC2)c1 ZINC000020142076 171028311 /nfs/dbraw/zinc/02/83/11/171028311.db2.gz MESPDJMOFCOSOS-UHFFFAOYSA-N 0 3 280.368 1.213 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCSCCCO)OCO2 ZINC000222941305 260251634 /nfs/dbraw/zinc/25/16/34/260251634.db2.gz GRGMXYGPCDUNRB-UHFFFAOYSA-N 0 3 285.365 1.326 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000126401212 260351706 /nfs/dbraw/zinc/35/17/06/260351706.db2.gz NUZYQEWWPXQECD-NSHDSACASA-N 0 3 276.336 1.408 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000126401212 260351708 /nfs/dbraw/zinc/35/17/08/260351708.db2.gz NUZYQEWWPXQECD-NSHDSACASA-N 0 3 276.336 1.408 20 10 CDCDHN COc1cc(O)c(CN2CCN(C(C)C)CC2)cc1OC ZINC000159758299 261193163 /nfs/dbraw/zinc/19/31/63/261193163.db2.gz ZNTGSYZQCPQRTB-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCOC1 ZINC000176088360 261265204 /nfs/dbraw/zinc/26/52/04/261265204.db2.gz IAKQSHZOSXBHCP-JTQLQIEISA-N 0 3 265.309 1.589 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCOC1 ZINC000176088360 261265206 /nfs/dbraw/zinc/26/52/06/261265206.db2.gz IAKQSHZOSXBHCP-JTQLQIEISA-N 0 3 265.309 1.589 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185392754 262053037 /nfs/dbraw/zinc/05/30/37/262053037.db2.gz XWEAXLYSKRWABD-HUUCEWRRSA-N 0 3 291.439 1.987 20 10 CDCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000276815601 263038128 /nfs/dbraw/zinc/03/81/28/263038128.db2.gz OPWMEWRFLZIYOK-ZDUSSCGKSA-N 0 3 278.327 1.728 20 10 CDCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000276815601 263038129 /nfs/dbraw/zinc/03/81/29/263038129.db2.gz OPWMEWRFLZIYOK-ZDUSSCGKSA-N 0 3 278.327 1.728 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000125534358 264011534 /nfs/dbraw/zinc/01/15/34/264011534.db2.gz ICQSPVCOXRWSKV-GTNSWQLSSA-N 0 3 255.383 1.947 20 10 CDCDHN CC[C@](C)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134472383 334091480 /nfs/dbraw/zinc/09/14/80/334091480.db2.gz VGHUHYWRBIYFRF-CQSZACIVSA-N 0 3 267.325 1.762 20 10 CDCDHN CCN(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000102004504 520230706 /nfs/dbraw/zinc/23/07/06/520230706.db2.gz DSTCVYKLKMTJPX-UHFFFAOYSA-N 0 3 296.390 1.643 20 10 CDCDHN CCOc1cccc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000289379081 521361601 /nfs/dbraw/zinc/36/16/01/521361601.db2.gz CFRCPVIAYDXRMT-UHFFFAOYSA-N 0 3 294.395 1.603 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000071299503 521364094 /nfs/dbraw/zinc/36/40/94/521364094.db2.gz MQFATIIDLQKAON-LBPRGKRZSA-N 0 3 251.326 1.651 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000071264711 522805232 /nfs/dbraw/zinc/80/52/32/522805232.db2.gz KRWZMSONFIPEKQ-VHSXEESVSA-N 0 3 255.314 1.059 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C1CC1 ZINC000279763799 523385623 /nfs/dbraw/zinc/38/56/23/523385623.db2.gz FDOCIMSZDARCRL-CQSZACIVSA-N 0 3 274.364 1.977 20 10 CDCDHN CN1CCC(CC(=O)NCc2ccccc2O)CC1 ZINC000292084738 523754972 /nfs/dbraw/zinc/75/49/72/523754972.db2.gz IATAZRSVGMVGJE-UHFFFAOYSA-N 0 3 262.353 1.740 20 10 CDCDHN C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000279479586 524350045 /nfs/dbraw/zinc/35/00/45/524350045.db2.gz TXDWGFRQQAXZBY-GFCCVEGCSA-N 0 3 282.359 1.684 20 10 CDCDHN C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000279479586 524350050 /nfs/dbraw/zinc/35/00/50/524350050.db2.gz TXDWGFRQQAXZBY-GFCCVEGCSA-N 0 3 282.359 1.684 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000290110082 525323060 /nfs/dbraw/zinc/32/30/60/525323060.db2.gz LCGOKCDHOGDOQB-CYBMUJFWSA-N 0 3 297.420 1.923 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000289670747 525725791 /nfs/dbraw/zinc/72/57/91/525725791.db2.gz HEYCQJFEGCCTEW-GFCCVEGCSA-N 0 3 290.367 1.525 20 10 CDCDHN Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000278295468 527616220 /nfs/dbraw/zinc/61/62/20/527616220.db2.gz CFNCWHKLYPJYLX-AWEZNQCLSA-N 0 3 286.379 1.884 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1[O-] ZINC000725849065 574444386 /nfs/dbraw/zinc/44/43/86/574444386.db2.gz FXEJSGAQWPYDAR-NSHDSACASA-N 0 3 273.336 1.912 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000764680139 575933538 /nfs/dbraw/zinc/93/35/38/575933538.db2.gz ZEUZGSPVEGNQEQ-HNNXBMFYSA-N 0 3 279.380 1.968 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000766467205 576104754 /nfs/dbraw/zinc/10/47/54/576104754.db2.gz GJDNMDHAONTLLF-CQSZACIVSA-N 0 3 265.309 1.204 20 10 CDCDHN COc1cccc(O)c1CN1CCCN(C(C)=O)CC1 ZINC000768215366 576264876 /nfs/dbraw/zinc/26/48/76/576264876.db2.gz DXWYGYIYLXOSMW-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768840499 576312572 /nfs/dbraw/zinc/31/25/72/576312572.db2.gz DNAVKDZYPGVMLT-GFCCVEGCSA-N 0 3 261.321 1.926 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000769383880 576350578 /nfs/dbraw/zinc/35/05/78/576350578.db2.gz NBCWTMPLQIDWOJ-HNNXBMFYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000769383880 576350581 /nfs/dbraw/zinc/35/05/81/576350581.db2.gz NBCWTMPLQIDWOJ-HNNXBMFYSA-N 0 3 295.379 1.764 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@@H]2CCOC2)c1O ZINC000754726164 576912428 /nfs/dbraw/zinc/91/24/28/576912428.db2.gz FDGMZYNJSOXWPK-GFCCVEGCSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cccc(O)c1CN[C@@H]1CCCS(=O)(=O)C1 ZINC000754890328 576921213 /nfs/dbraw/zinc/92/12/13/576921213.db2.gz QYEFFWMGMCZGJE-SNVBAGLBSA-N 0 3 285.365 1.068 20 10 CDCDHN C[C@H](CC(N)=O)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756659287 576999005 /nfs/dbraw/zinc/99/90/05/576999005.db2.gz COIUSXHYBBFEKV-MRTMQBJTSA-N 0 3 266.316 1.933 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000759174051 577157357 /nfs/dbraw/zinc/15/73/57/577157357.db2.gz UFJPWOARZHGPFE-ABAIWWIYSA-N 0 3 295.335 1.405 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCF)N(C)C)cc1 ZINC000891245314 617390858 /nfs/dbraw/zinc/39/08/58/617390858.db2.gz CMJAYYNBXNETOB-CQSZACIVSA-N 0 3 281.375 1.831 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000893984985 618237788 /nfs/dbraw/zinc/23/77/88/618237788.db2.gz WFGVNGZAQCJILI-ZDUSSCGKSA-N 0 3 292.379 1.810 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206009 621362403 /nfs/dbraw/zinc/36/24/03/621362403.db2.gz JQKKGCKGEONPPN-GFCCVEGCSA-N 0 3 251.326 1.651 20 10 CDCDHN CCCN(C)CC(=O)NCc1ccc(O)cc1O ZINC000910956788 629118105 /nfs/dbraw/zinc/11/81/05/629118105.db2.gz ZSFQJVONTQQOKU-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN CN(CC(=O)NCc1ccc(O)cc1O)CC(C)(C)C ZINC000910943297 629124717 /nfs/dbraw/zinc/12/47/17/629124717.db2.gz MHVYYYQKXYJJTN-UHFFFAOYSA-N 0 3 280.368 1.692 20 10 CDCDHN CN1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000921813228 633315083 /nfs/dbraw/zinc/31/50/83/633315083.db2.gz CSDUUSFIVJMJQO-AWEZNQCLSA-N 0 3 274.364 1.722 20 10 CDCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC000154467242 1178143844 /nfs/dbraw/zinc/14/38/44/1178143844.db2.gz JDUNYHKKPZYOII-ZDUSSCGKSA-N 0 3 251.326 1.833 20 10 CDCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC000154467242 1178143846 /nfs/dbraw/zinc/14/38/46/1178143846.db2.gz JDUNYHKKPZYOII-ZDUSSCGKSA-N 0 3 251.326 1.833 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c([O-])c1 ZINC000877367103 705334876 /nfs/dbraw/zinc/33/48/76/705334876.db2.gz BOSDVCWPLNMXSS-OAHLLOKOSA-N 0 3 279.380 1.968 20 10 CDCDHN O=S1(=O)CCC[C@H]1CNCc1ccc2c(c1)CCCO2 ZINC000921862775 705531580 /nfs/dbraw/zinc/53/15/80/705531580.db2.gz NQUPKMNLBZSGPQ-AWEZNQCLSA-N 0 3 295.404 1.678 20 10 CDCDHN COc1cccc(C[N@H+](C)CC2CC(O)C2)c1[O-] ZINC000191167262 705668549 /nfs/dbraw/zinc/66/85/49/705668549.db2.gz MRYFMZBNWHYMNF-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@@H+](C)CC2CC(O)C2)c1[O-] ZINC000191167262 705668553 /nfs/dbraw/zinc/66/85/53/705668553.db2.gz MRYFMZBNWHYMNF-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CC ZINC000129610793 705732795 /nfs/dbraw/zinc/73/27/95/705732795.db2.gz DDOFSSUYTVGFFC-GFCCVEGCSA-N 0 3 250.342 1.868 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CC1 ZINC000088130435 705733470 /nfs/dbraw/zinc/73/34/70/705733470.db2.gz FRMLCAYRGZNJFA-UHFFFAOYSA-N 0 3 261.369 1.592 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000877600683 705765744 /nfs/dbraw/zinc/76/57/44/705765744.db2.gz QRZKKCNGSPEFDF-UHFFFAOYSA-N 0 3 289.379 1.690 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([O-])cs1 ZINC000822156405 705832232 /nfs/dbraw/zinc/83/22/32/705832232.db2.gz QIZLPUUDGSRJSN-WDEREUQCSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([O-])cs1 ZINC000822156405 705832236 /nfs/dbraw/zinc/83/22/36/705832236.db2.gz QIZLPUUDGSRJSN-WDEREUQCSA-N 0 3 266.366 1.810 20 10 CDCDHN CC(C)(CN1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000308630314 705874354 /nfs/dbraw/zinc/87/43/54/705874354.db2.gz DVKMKNPYONQFPP-UHFFFAOYSA-N 0 3 282.359 1.732 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCC1(C)OCCO1 ZINC000877346192 705903194 /nfs/dbraw/zinc/90/31/94/705903194.db2.gz IUMFPLXSODBHAL-UHFFFAOYSA-N 0 3 251.326 1.943 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@H](C)C[NH3+])c1[O-] ZINC000843350100 705993230 /nfs/dbraw/zinc/99/32/30/705993230.db2.gz KDYHGBBFTBKPHP-MRVPVSSYSA-N 0 3 254.305 1.513 20 10 CDCDHN COC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCCCN1 ZINC000876606162 709669082 /nfs/dbraw/zinc/66/90/82/709669082.db2.gz WGJOBORZXDAJPX-MRXNPFEDSA-N 0 3 292.379 1.509 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617129 709803434 /nfs/dbraw/zinc/80/34/34/709803434.db2.gz KTXIUPQKZAYRGY-DTWKUNHWSA-N 0 3 254.305 1.707 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000877693908 709824798 /nfs/dbraw/zinc/82/47/98/709824798.db2.gz UEMUAJXNAAFXAF-LHLIQPBNSA-N 0 3 267.222 1.933 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000817411058 709956485 /nfs/dbraw/zinc/95/64/85/709956485.db2.gz LYVANXUVOQGOPI-UHFFFAOYSA-N 0 3 278.352 1.536 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c([O-])c1 ZINC000858300705 710031842 /nfs/dbraw/zinc/03/18/42/710031842.db2.gz MLNWFUTWUFMDJG-TZMCWYRMSA-N 0 3 267.325 1.030 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)ccc1[O-] ZINC000706772677 710173016 /nfs/dbraw/zinc/17/30/16/710173016.db2.gz AVJIAQPCSSBWSX-RLCGTCKNSA-N 0 3 255.289 1.332 20 10 CDCDHN CCN1C[C@H](C[NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877613248 710276792 /nfs/dbraw/zinc/27/67/92/710276792.db2.gz BVHLAVWINBRVLQ-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN C[N@H+](CC1=CCSC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853620508 710294383 /nfs/dbraw/zinc/29/43/83/710294383.db2.gz SODVUYBZWUKAMC-CQSZACIVSA-N 0 3 293.388 1.923 20 10 CDCDHN C[N@@H+](CC1=CCSC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853620508 710294386 /nfs/dbraw/zinc/29/43/86/710294386.db2.gz SODVUYBZWUKAMC-CQSZACIVSA-N 0 3 293.388 1.923 20 10 CDCDHN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000313076847 710340086 /nfs/dbraw/zinc/34/00/86/710340086.db2.gz WJYFDWVXJHLAQF-MNOVXSKESA-N 0 3 276.336 1.122 20 10 CDCDHN C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000313076847 710340091 /nfs/dbraw/zinc/34/00/91/710340091.db2.gz WJYFDWVXJHLAQF-MNOVXSKESA-N 0 3 276.336 1.122 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NC2CCCC2)c([O-])c1 ZINC000849025241 710346920 /nfs/dbraw/zinc/34/69/20/710346920.db2.gz VNQYBRIOOVBHLW-UHFFFAOYSA-N 0 3 263.341 1.957 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC000841955935 710347102 /nfs/dbraw/zinc/34/71/02/710347102.db2.gz RSYKSYPEZCAJTK-VXGBXAGGSA-N 0 3 276.384 1.203 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNc1nc(N)nc(N)n1 ZINC000858413139 710391325 /nfs/dbraw/zinc/39/13/25/710391325.db2.gz ABASMKZERVKNTD-UHFFFAOYSA-N 0 3 273.344 1.023 20 10 CDCDHN Cc1ccc(CN2CCN(c3cnn(C)c3)CC2)c(O)c1 ZINC000876736143 710458808 /nfs/dbraw/zinc/45/88/08/710458808.db2.gz RXKCDPJDKURHKL-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(C)cc1[O-] ZINC000840802357 710466387 /nfs/dbraw/zinc/46/63/87/710466387.db2.gz IBZQLQGRAWXZJK-TZMCWYRMSA-N 0 3 290.367 1.394 20 10 CDCDHN COc1cccc(CNCc2cnc3n2CCC3)c1O ZINC000719853538 710477801 /nfs/dbraw/zinc/47/78/01/710477801.db2.gz VKPSMXNDTAQBQN-UHFFFAOYSA-N 0 3 273.336 1.833 20 10 CDCDHN COc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787424198 710501679 /nfs/dbraw/zinc/50/16/79/710501679.db2.gz POVVDFWCYQWMTK-RWSFTLGLSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787424198 710501687 /nfs/dbraw/zinc/50/16/87/710501687.db2.gz POVVDFWCYQWMTK-RWSFTLGLSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787424198 710501698 /nfs/dbraw/zinc/50/16/98/710501698.db2.gz POVVDFWCYQWMTK-RWSFTLGLSA-N 0 3 290.363 1.487 20 10 CDCDHN O=C1NCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)O1 ZINC000783722597 710558203 /nfs/dbraw/zinc/55/82/03/710558203.db2.gz HLYLMYKXLQXHBN-UHFFFAOYSA-N 0 3 280.299 1.606 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000841652787 710565050 /nfs/dbraw/zinc/56/50/50/710565050.db2.gz GDXRPQXUVBWIDI-OLZOCXBDSA-N 0 3 290.411 1.644 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@@H]2COCCO2)c([O-])c1 ZINC000827140081 710763318 /nfs/dbraw/zinc/76/33/18/710763318.db2.gz HKXPUIRLOWGNPL-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2COCCO2)c([O-])c1 ZINC000827140081 710763321 /nfs/dbraw/zinc/76/33/21/710763321.db2.gz HKXPUIRLOWGNPL-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(C)C)c1 ZINC000135728011 710818769 /nfs/dbraw/zinc/81/87/69/710818769.db2.gz YPJWREFGCHBVER-LLVKDONJSA-N 0 3 280.368 1.824 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000802310476 710828898 /nfs/dbraw/zinc/82/88/98/710828898.db2.gz VYIXYZHNQVHVBZ-IQJOONFLSA-N 0 3 269.316 1.677 20 10 CDCDHN CCc1cccc(CN2CCN(CCOC)CC2)c1O ZINC000848881715 711480012 /nfs/dbraw/zinc/48/00/12/711480012.db2.gz SXNFTZNCZSGSMO-UHFFFAOYSA-N 0 3 278.396 1.719 20 10 CDCDHN COCCNC(=O)C1(N[C@H](C)c2ccccc2O)CC1 ZINC000840822425 711567280 /nfs/dbraw/zinc/56/72/80/711567280.db2.gz NAFMXCMKKZMTKW-LLVKDONJSA-N 0 3 278.352 1.338 20 10 CDCDHN COCCNC(=O)C1([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000840822425 711567281 /nfs/dbraw/zinc/56/72/81/711567281.db2.gz NAFMXCMKKZMTKW-LLVKDONJSA-N 0 3 278.352 1.338 20 10 CDCDHN CCN1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC000922157677 711572112 /nfs/dbraw/zinc/57/21/12/711572112.db2.gz CODHALJIEDIUGH-AWEZNQCLSA-N 0 3 274.364 1.722 20 10 CDCDHN C[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C[NH+](C)C ZINC000193090715 711596972 /nfs/dbraw/zinc/59/69/72/711596972.db2.gz KCLSOUPQTZLKGF-JTQLQIEISA-N 0 3 280.368 1.804 20 10 CDCDHN COC[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825158550 711658228 /nfs/dbraw/zinc/65/82/28/711658228.db2.gz PTGWZXVEARELQW-AWEZNQCLSA-N 0 3 269.316 1.362 20 10 CDCDHN COC[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825158550 711658229 /nfs/dbraw/zinc/65/82/29/711658229.db2.gz PTGWZXVEARELQW-AWEZNQCLSA-N 0 3 269.316 1.362 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315591 711708863 /nfs/dbraw/zinc/70/88/63/711708863.db2.gz UDZZKGDQFNQJBE-CQSZACIVSA-N 0 3 292.379 1.251 20 10 CDCDHN CO[C@]1(C[N@H+](C)Cc2ccccc2[O-])CCOC1 ZINC000876615520 711718575 /nfs/dbraw/zinc/71/85/75/711718575.db2.gz GZKYXBLJFFPGNE-AWEZNQCLSA-N 0 3 251.326 1.630 20 10 CDCDHN CO[C@]1(C[N@@H+](C)Cc2ccccc2[O-])CCOC1 ZINC000876615520 711718577 /nfs/dbraw/zinc/71/85/77/711718577.db2.gz GZKYXBLJFFPGNE-AWEZNQCLSA-N 0 3 251.326 1.630 20 10 CDCDHN Oc1cc2c(cc1CN1C[C@H]3[C@@H](C1)C3(F)F)[C@@H](O)CO2 ZINC000844758564 711734167 /nfs/dbraw/zinc/73/41/67/711734167.db2.gz TXADFAZTCOLBQR-UMNHJUIQSA-N 0 3 283.274 1.515 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(C)cc1[O-] ZINC000886745408 711760996 /nfs/dbraw/zinc/76/09/96/711760996.db2.gz WIXDJPMGJGOJFP-CYBMUJFWSA-N 0 3 277.368 1.767 20 10 CDCDHN Cc1cccc(O)c1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000877547069 711779567 /nfs/dbraw/zinc/77/95/67/711779567.db2.gz QEXNSQXUYKCRKX-GFCCVEGCSA-N 0 3 283.393 1.567 20 10 CDCDHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000832496568 711800007 /nfs/dbraw/zinc/80/00/07/711800007.db2.gz VGGGZZKRKLQZPV-NXEZZACHSA-N 0 3 254.355 1.666 20 10 CDCDHN CO[C@@]1(C[NH2+]Cc2c(C)cccc2[O-])CCOC1 ZINC000877371522 711808601 /nfs/dbraw/zinc/80/86/01/711808601.db2.gz IYLGMQILJGKWKS-CQSZACIVSA-N 0 3 251.326 1.596 20 10 CDCDHN CN(C)c1ccc(CN2CCN(c3ncc[nH]3)CC2)cc1 ZINC000846876391 711816338 /nfs/dbraw/zinc/81/63/38/711816338.db2.gz RGRAFYDYYQPKMQ-UHFFFAOYSA-N 0 3 285.395 1.798 20 10 CDCDHN CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000794815407 711817491 /nfs/dbraw/zinc/81/74/91/711817491.db2.gz KKNJLSHHRQGPBH-UKRRQHHQSA-N 0 3 265.353 1.893 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CN2CCCC2=O)c([O-])c1 ZINC000876949881 1165947632 /nfs/dbraw/zinc/94/76/32/1165947632.db2.gz BQOLXKCZQTXPJQ-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2C)c1 ZINC001358405685 1167508991 /nfs/dbraw/zinc/50/89/91/1167508991.db2.gz BJOQRYRUJYRCMV-CQSZACIVSA-N 0 3 291.395 1.984 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173759895 912806296 /nfs/dbraw/zinc/80/62/96/912806296.db2.gz VJZVJCQLDFDOCC-VXGBXAGGSA-N 0 3 289.339 1.358 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CC2 ZINC001140056207 894776083 /nfs/dbraw/zinc/77/60/83/894776083.db2.gz MDKBWCHANDHBIC-GFCCVEGCSA-N 0 3 279.311 1.916 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CC2 ZINC001140056207 894776098 /nfs/dbraw/zinc/77/60/98/894776098.db2.gz MDKBWCHANDHBIC-GFCCVEGCSA-N 0 3 279.311 1.916 20 10 CDCDHN CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618139 914185299 /nfs/dbraw/zinc/18/52/99/914185299.db2.gz BXJKTDDQTIUUQO-HNNXBMFYSA-N 0 3 260.337 1.446 20 10 CDCDHN CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618139 914185304 /nfs/dbraw/zinc/18/53/04/914185304.db2.gz BXJKTDDQTIUUQO-HNNXBMFYSA-N 0 3 260.337 1.446 20 10 CDCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000697631896 908855575 /nfs/dbraw/zinc/85/55/75/908855575.db2.gz DFNONXCOMXWRHQ-QMMMGPOBSA-N 0 3 261.318 1.054 20 10 CDCDHN CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC001180130003 916147600 /nfs/dbraw/zinc/14/76/00/916147600.db2.gz QOYPWXXBDFDWJM-SHQCLWGWSA-N 0 3 287.407 1.976 20 10 CDCDHN CC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139407731 936617970 /nfs/dbraw/zinc/61/79/70/936617970.db2.gz BUZQEWRRYMHMER-UHFFFAOYSA-N 0 3 275.396 1.459 20 10 CDCDHN OCC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140286991 936698047 /nfs/dbraw/zinc/69/80/47/936698047.db2.gz ZKXWBPPRAORPDA-UHFFFAOYSA-N 0 3 276.380 1.072 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC2(C)COC2)c(OC)c1 ZINC001141028430 936794238 /nfs/dbraw/zinc/79/42/38/936794238.db2.gz OCHQTKMTNKNOFV-UHFFFAOYSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)c(OC)c1 ZINC001141028430 936794240 /nfs/dbraw/zinc/79/42/40/936794240.db2.gz OCHQTKMTNKNOFV-UHFFFAOYSA-N 0 3 281.352 1.878 20 10 CDCDHN CN(C)c1ccc(CN(C)c2ncc3c(n2)CCNC3)cc1 ZINC001156924002 938434686 /nfs/dbraw/zinc/43/46/86/938434686.db2.gz KMEOKGYXLFMXEP-UHFFFAOYSA-N 0 3 297.406 1.825 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203551888 939693000 /nfs/dbraw/zinc/69/30/00/939693000.db2.gz RQXCKTOSBOASJY-OAHLLOKOSA-N 0 3 260.337 1.494 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203551888 939693001 /nfs/dbraw/zinc/69/30/01/939693001.db2.gz RQXCKTOSBOASJY-OAHLLOKOSA-N 0 3 260.337 1.494 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001203628560 939697719 /nfs/dbraw/zinc/69/77/19/939697719.db2.gz CQGOGOUGLPYEPI-CMPLNLGQSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001203628560 939697721 /nfs/dbraw/zinc/69/77/21/939697721.db2.gz CQGOGOUGLPYEPI-CMPLNLGQSA-N 0 3 251.326 1.746 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](F)[C@H](O)C2)cc1 ZINC001203929979 939714778 /nfs/dbraw/zinc/71/47/78/939714778.db2.gz MKZLOAONYNDZHS-UONOGXRCSA-N 0 3 252.333 1.657 20 10 CDCDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937159 939715140 /nfs/dbraw/zinc/71/51/40/939715140.db2.gz NVUVCNVUJFUYDZ-MRXNPFEDSA-N 0 3 275.396 1.805 20 10 CDCDHN [NH3+][C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC[C@H]1O ZINC001206102197 939980917 /nfs/dbraw/zinc/98/09/17/939980917.db2.gz SCLJJDYKNVISNE-GHMZBOCLSA-N 0 3 290.285 1.305 20 10 CDCDHN COc1cc(Cl)cc(CN2CCN3CC[C@H]3C2)c1O ZINC001233291383 943531415 /nfs/dbraw/zinc/53/14/15/943531415.db2.gz YOJLUNXJIXHKRT-LBPRGKRZSA-N 0 3 282.771 1.944 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001236024728 944380769 /nfs/dbraw/zinc/38/07/69/944380769.db2.gz FWFRMBNJGYGFOM-NOZJJQNGSA-N 0 3 268.744 1.587 20 10 CDCDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC001236251365 944436976 /nfs/dbraw/zinc/43/69/76/944436976.db2.gz SKZAHFCEWUCMDC-SECBINFHSA-N 0 3 270.760 1.977 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001236807199 944573289 /nfs/dbraw/zinc/57/32/89/944573289.db2.gz DRDQFSTUEFTWKA-LLVKDONJSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001236807199 944573292 /nfs/dbraw/zinc/57/32/92/944573292.db2.gz DRDQFSTUEFTWKA-LLVKDONJSA-N 0 3 251.326 1.930 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CN1 ZINC001246240981 948050003 /nfs/dbraw/zinc/05/00/03/948050003.db2.gz UGSJHXOXMZSMEI-LOWVWBTDSA-N 0 3 278.352 1.336 20 10 CDCDHN CCN(Cc1ccccc1O)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246866489 948491779 /nfs/dbraw/zinc/49/17/79/948491779.db2.gz UOAIJICHYBHOMS-OLZOCXBDSA-N 0 3 278.352 1.118 20 10 CDCDHN COC(=O)C1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001257855730 948642266 /nfs/dbraw/zinc/64/22/66/948642266.db2.gz DOPOHBWOCYPKRL-UHFFFAOYSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c([O-])c1 ZINC001249217879 949462250 /nfs/dbraw/zinc/46/22/50/949462250.db2.gz UHADUBWNNRIILE-MRXNPFEDSA-N 0 3 291.347 1.473 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]23CCOC3)c([O-])c1 ZINC001249217879 949462265 /nfs/dbraw/zinc/46/22/65/949462265.db2.gz UHADUBWNNRIILE-MRXNPFEDSA-N 0 3 291.347 1.473 20 10 CDCDHN CCOC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252029755 951069633 /nfs/dbraw/zinc/06/96/33/951069633.db2.gz VARWLTAWMLPSHD-LBPRGKRZSA-N 0 3 251.326 1.148 20 10 CDCDHN CCOC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252029755 951069639 /nfs/dbraw/zinc/06/96/39/951069639.db2.gz VARWLTAWMLPSHD-LBPRGKRZSA-N 0 3 251.326 1.148 20 10 CDCDHN Nc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC001336116530 960210487 /nfs/dbraw/zinc/21/04/87/960210487.db2.gz FMNSBMUONXZJEL-AWEZNQCLSA-N 0 3 259.353 1.466 20 10 CDCDHN CCCN1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001347543238 965581850 /nfs/dbraw/zinc/58/18/50/965581850.db2.gz YYPRWFXQAVAWNH-LBPRGKRZSA-N 0 3 278.352 1.588 20 10 CDCDHN CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001348360598 965952463 /nfs/dbraw/zinc/95/24/63/965952463.db2.gz NKBMDAGUZQGFTJ-NSHDSACASA-N 0 3 280.368 1.948 20 10 CDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(O)c1O ZINC001352658345 967408373 /nfs/dbraw/zinc/40/83/73/967408373.db2.gz SVBXCHUSOXKTSA-GHMZBOCLSA-N 0 3 278.352 1.587 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(C)c1[O-] ZINC000294955244 199268295 /nfs/dbraw/zinc/26/82/95/199268295.db2.gz DJVKPECTELSXPI-LBPRGKRZSA-N 0 3 286.397 1.118 20 10 CDCDHN Cn1ncc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000297433345 282819818 /nfs/dbraw/zinc/81/98/18/282819818.db2.gz VNOHNGLLGONNJS-ZDUSSCGKSA-N 0 3 272.352 1.730 20 10 CDCDHN CO[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000076266301 356955087 /nfs/dbraw/zinc/95/50/87/356955087.db2.gz WEBSCKKDSKOYJV-LLVKDONJSA-N 0 3 265.309 1.732 20 10 CDCDHN COc1cc(O)c(CN(CCO)C2CC2)cc1OC ZINC000179689274 357220939 /nfs/dbraw/zinc/22/09/39/357220939.db2.gz ZXJJOFWJMFBINI-UHFFFAOYSA-N 0 3 267.325 1.366 20 10 CDCDHN CCN(CCO)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000187569415 357780191 /nfs/dbraw/zinc/78/01/91/357780191.db2.gz NFYRJQQNTOGNMD-UHFFFAOYSA-N 0 3 252.358 1.104 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)NCC2CC2)c1 ZINC000186505181 358801186 /nfs/dbraw/zinc/80/11/86/358801186.db2.gz VJPAQAHCGYHZNC-NSHDSACASA-N 0 3 262.353 1.877 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272584318 365306768 /nfs/dbraw/zinc/30/67/68/365306768.db2.gz YQWHEKXWSYLHRK-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272584318 365306781 /nfs/dbraw/zinc/30/67/81/365306781.db2.gz YQWHEKXWSYLHRK-GHMZBOCLSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000273467817 365499299 /nfs/dbraw/zinc/49/92/99/365499299.db2.gz JEQJOVQUUZZACC-ZUZCIYMTSA-N 0 3 283.343 1.969 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000284291088 368509780 /nfs/dbraw/zinc/50/97/80/368509780.db2.gz IBTIXNSQSSRBEB-ZIAGYGMSSA-N 0 3 278.396 1.588 20 10 CDCDHN C[S@@](=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296573558 371442811 /nfs/dbraw/zinc/44/28/11/371442811.db2.gz VHCWIHLQSHVPQJ-BBATYDOGSA-N 0 3 265.378 1.880 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)CC2 ZINC000296444645 378721760 /nfs/dbraw/zinc/72/17/60/378721760.db2.gz MUULYGPEWLEGFQ-HZSPNIEDSA-N 0 3 277.364 1.614 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000272395332 413044095 /nfs/dbraw/zinc/04/40/95/413044095.db2.gz JLJZEZZRZCNSGJ-CYBMUJFWSA-N 0 3 268.332 1.342 20 10 CDCDHN CCOc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000122654740 390904911 /nfs/dbraw/zinc/90/49/11/390904911.db2.gz UPKPHKKTZWWONP-ZDUSSCGKSA-N 0 3 292.379 1.844 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CCC(O)CC1)CC2 ZINC000295939446 285396892 /nfs/dbraw/zinc/39/68/92/285396892.db2.gz KVNHNMRMZMNGOT-HNNXBMFYSA-N 0 3 290.407 1.816 20 10 CDCDHN COc1cccc(CNC(=O)NC2CCN(C)CC2)c1O ZINC000173389952 391107160 /nfs/dbraw/zinc/10/71/60/391107160.db2.gz QLTLCYRRPCMCCC-UHFFFAOYSA-N 0 3 293.367 1.294 20 10 CDCDHN Cc1nccn1CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000263650317 391125404 /nfs/dbraw/zinc/12/54/04/391125404.db2.gz DAJXKDOOUHPNSZ-UHFFFAOYSA-N 0 3 289.335 1.806 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047517 174058154 /nfs/dbraw/zinc/05/81/54/174058154.db2.gz PQVWQIZQXYMHPU-NSHDSACASA-N 0 3 271.382 1.786 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082857 174091781 /nfs/dbraw/zinc/09/17/81/174091781.db2.gz QADMBKSMOCYTPS-AAEUAGOBSA-N 0 3 283.393 1.868 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[O-] ZINC000091662202 260266514 /nfs/dbraw/zinc/26/65/14/260266514.db2.gz KBGZFIYNAOOLAH-MJBXVCDLSA-N 0 3 276.380 1.906 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1 ZINC000193588526 262224273 /nfs/dbraw/zinc/22/42/73/262224273.db2.gz DRIVEPKQWPJAID-RISCZKNCSA-N 0 3 261.369 1.367 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000368132106 267146477 /nfs/dbraw/zinc/14/64/77/267146477.db2.gz DNVYQNSYRQCYDT-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000368132106 267146479 /nfs/dbraw/zinc/14/64/79/267146479.db2.gz DNVYQNSYRQCYDT-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000282367961 278561241 /nfs/dbraw/zinc/56/12/41/278561241.db2.gz NTLPUNJJVZYBBW-QMTHXVAHSA-N 0 3 279.359 1.506 20 10 CDCDHN CCOCc1cc(CNC[C@]2(O)CCOC2)ccc1OC ZINC000179017893 327797867 /nfs/dbraw/zinc/79/78/67/327797867.db2.gz IYZODBQFDOXSKF-MRXNPFEDSA-N 0 3 295.379 1.473 20 10 CDCDHN CS[C@H](CO)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000219057632 329144555 /nfs/dbraw/zinc/14/45/55/329144555.db2.gz JWVBYFWIJHJNMB-BXUZGUMPSA-N 0 3 268.426 1.955 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CC13CC(C1)CO3)OCO2 ZINC000527790723 330283558 /nfs/dbraw/zinc/28/35/58/330283558.db2.gz UFYZXLASFJPPAD-UHFFFAOYSA-N 0 3 263.293 1.390 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@@H](COC)OC)c([O-])c1 ZINC000272709215 520366906 /nfs/dbraw/zinc/36/69/06/520366906.db2.gz UXDHCSMPGZSCEO-AWEZNQCLSA-N 0 3 283.368 1.932 20 10 CDCDHN COc1cccc(CN2CC[C@H](NC(C)=O)C2)c1O ZINC000228357051 1161399397 /nfs/dbraw/zinc/39/93/97/1161399397.db2.gz LUFOLAQLIDFCAJ-LBPRGKRZSA-N 0 3 264.325 1.111 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616856 519500171 /nfs/dbraw/zinc/50/01/71/519500171.db2.gz FXBJJWKVROINSO-SNVBAGLBSA-N 0 3 268.332 1.954 20 10 CDCDHN CCCN1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000236764411 519853031 /nfs/dbraw/zinc/85/30/31/519853031.db2.gz DVLVAIFMQGHLPS-OAHLLOKOSA-N 0 3 275.396 1.802 20 10 CDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825917 520919550 /nfs/dbraw/zinc/91/95/50/520919550.db2.gz VEDMWTIRZKAMSI-OAHLLOKOSA-N 0 3 263.385 1.886 20 10 CDCDHN CCOc1cccc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000293127606 521361909 /nfs/dbraw/zinc/36/19/09/521361909.db2.gz ZOCWZCITCBQMEE-UHFFFAOYSA-N 0 3 290.367 1.642 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280346589 521365199 /nfs/dbraw/zinc/36/51/99/521365199.db2.gz RXVZSJPUMVPPRC-UONOGXRCSA-N 0 3 295.379 1.526 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290113689 522210491 /nfs/dbraw/zinc/21/04/91/522210491.db2.gz LIIXWMQVRCHTKR-CQSZACIVSA-N 0 3 296.436 1.667 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000211400524 522475154 /nfs/dbraw/zinc/47/51/54/522475154.db2.gz XPPZYGRDRRWSEA-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000211400524 522475161 /nfs/dbraw/zinc/47/51/61/522475161.db2.gz XPPZYGRDRRWSEA-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN CC[C@H]([NH2+]CCS(=O)(=O)NC)c1ccc(C)cc1[O-] ZINC000280082929 522597238 /nfs/dbraw/zinc/59/72/38/522597238.db2.gz LVPFZEKWQOPVTB-LBPRGKRZSA-N 0 3 286.397 1.291 20 10 CDCDHN COc1ccc(CNCC2(S(C)(=O)=O)CC2)cc1C ZINC000279638013 524069655 /nfs/dbraw/zinc/06/96/55/524069655.db2.gz IWXKDOHRXUICSI-UHFFFAOYSA-N 0 3 283.393 1.670 20 10 CDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000299161408 524075433 /nfs/dbraw/zinc/07/54/33/524075433.db2.gz LCDBOPNQRVHQBZ-CYBMUJFWSA-N 0 3 291.395 1.137 20 10 CDCDHN Cc1cc(O)c(CN2CCC(S(N)(=O)=O)CC2)cc1C ZINC000364903458 525316828 /nfs/dbraw/zinc/31/68/28/525316828.db2.gz OEEAAJGMNGLJGP-UHFFFAOYSA-N 0 3 298.408 1.262 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(F)ccc1[O-] ZINC000280936821 525409892 /nfs/dbraw/zinc/40/98/92/525409892.db2.gz SEMPMPIHPCGCCC-SSDOTTSWSA-N 0 3 276.258 1.563 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCC[C@@H]1O)OCO2 ZINC000085979129 526337313 /nfs/dbraw/zinc/33/73/13/526337313.db2.gz FHOCKKQRHRUWJZ-PWSUYJOCSA-N 0 3 279.336 1.762 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCC[C@H]1O)OCO2 ZINC000085979132 526337322 /nfs/dbraw/zinc/33/73/22/526337322.db2.gz FHOCKKQRHRUWJZ-CMPLNLGQSA-N 0 3 279.336 1.762 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H]2COCCO2)cc1F ZINC000733324928 575114471 /nfs/dbraw/zinc/11/44/71/575114471.db2.gz LNNMWMDDONBQCV-GFCCVEGCSA-N 0 3 268.332 1.397 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCOC[C@H](C)C1 ZINC000769455001 575369622 /nfs/dbraw/zinc/36/96/22/575369622.db2.gz DDVAIASVZVRHIM-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCOC[C@H](C)C1 ZINC000769455001 575369627 /nfs/dbraw/zinc/36/96/27/575369627.db2.gz DDVAIASVZVRHIM-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN CC(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000773018092 575774052 /nfs/dbraw/zinc/77/40/52/575774052.db2.gz HENWHKLSXQSKEI-MNOVXSKESA-N 0 3 298.408 1.363 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c([O-])c1 ZINC000765795037 576056851 /nfs/dbraw/zinc/05/68/51/576056851.db2.gz GVSRTPXKVMCVAZ-UONOGXRCSA-N 0 3 292.379 1.795 20 10 CDCDHN CCCC[N@H+](CCO)Cc1c([O-])cccc1OC ZINC000768140357 576260418 /nfs/dbraw/zinc/26/04/18/576260418.db2.gz NZLQUTBZWVJRFM-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCCC[N@@H+](CCO)Cc1c([O-])cccc1OC ZINC000768140357 576260420 /nfs/dbraw/zinc/26/04/20/576260420.db2.gz NZLQUTBZWVJRFM-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCSC1 ZINC000768466317 576287860 /nfs/dbraw/zinc/28/78/60/576287860.db2.gz YSXVPUUAGYEUKC-GWCFXTLKSA-N 0 3 281.377 1.755 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCSC1 ZINC000768466317 576287862 /nfs/dbraw/zinc/28/78/62/576287862.db2.gz YSXVPUUAGYEUKC-GWCFXTLKSA-N 0 3 281.377 1.755 20 10 CDCDHN CCOc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c([O-])c1 ZINC000769441072 576353973 /nfs/dbraw/zinc/35/39/73/576353973.db2.gz GMNVZHPNZJDZBS-SWLSCSKDSA-N 0 3 276.380 1.975 20 10 CDCDHN CCC(=O)N1CCC([NH2+]Cc2ccc(OC)cc2[O-])CC1 ZINC000742218375 576589656 /nfs/dbraw/zinc/58/96/56/576589656.db2.gz GLGXTBTVVUFWKU-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000742375018 576598646 /nfs/dbraw/zinc/59/86/46/576598646.db2.gz KUHPGLPMUBVXQN-RYUDHWBXSA-N 0 3 264.369 1.973 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000762787600 576672196 /nfs/dbraw/zinc/67/21/96/576672196.db2.gz MXKLMPVKGIOCSM-NSODJVPESA-N 0 3 294.370 1.736 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC[C@H](C)O)cc1OC ZINC000763375815 576733524 /nfs/dbraw/zinc/73/35/24/576733524.db2.gz WAWJJAKNZNLDBR-VIFPVBQESA-N 0 3 255.314 1.270 20 10 CDCDHN CN(C)c1ccc(CN(CC(N)=O)C2CCCC2)cc1 ZINC000746153096 576757673 /nfs/dbraw/zinc/75/76/73/576757673.db2.gz QAZPEWYURLUFLI-UHFFFAOYSA-N 0 3 275.396 1.983 20 10 CDCDHN C[NH+](C)[C@]1(CNC(=O)c2cc([O-])cs2)CCSC1 ZINC000748432620 576912374 /nfs/dbraw/zinc/91/23/74/576912374.db2.gz BIZMWAKZMOURIS-LBPRGKRZSA-N 0 3 286.422 1.621 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000759171822 577156796 /nfs/dbraw/zinc/15/67/96/577156796.db2.gz ASDCTSZDTGGGAE-HOCLYGCPSA-N 0 3 277.364 1.905 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000759173064 577157007 /nfs/dbraw/zinc/15/70/07/577157007.db2.gz MJKSDYNRISMDPS-JSGCOSHPSA-N 0 3 281.352 1.684 20 10 CDCDHN COc1cc(C)cc(CN2CCN(C[C@H](C)O)CC2)c1O ZINC000894001141 618242264 /nfs/dbraw/zinc/24/22/64/618242264.db2.gz JGAZYLVWRXHNQS-ZDUSSCGKSA-N 0 3 294.395 1.208 20 10 CDCDHN COc1cc(C)cc(CN(C)CCN2CCCC2=O)c1O ZINC000894017933 618244116 /nfs/dbraw/zinc/24/41/16/618244116.db2.gz SZNKAGSDFCJDSD-UHFFFAOYSA-N 0 3 292.379 1.763 20 10 CDCDHN COc1c([O-])c(CN[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841042208 618677834 /nfs/dbraw/zinc/67/78/34/618677834.db2.gz FSKITAZESGBFOF-JTQLQIEISA-N 0 3 281.312 1.151 20 10 CDCDHN COc1cc(Cl)cc(CN[C@@H]2C(=O)NCC2(C)C)c1O ZINC000895326100 619564529 /nfs/dbraw/zinc/56/45/29/619564529.db2.gz ZNBZJXNHNKRIPF-GFCCVEGCSA-N 0 3 298.770 1.668 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1[O-] ZINC000895326100 619564534 /nfs/dbraw/zinc/56/45/34/619564534.db2.gz ZNBZJXNHNKRIPF-GFCCVEGCSA-N 0 3 298.770 1.668 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000895413539 619647839 /nfs/dbraw/zinc/64/78/39/619647839.db2.gz GCMRSWDTHZCAPW-JTQLQIEISA-N 0 3 282.340 1.207 20 10 CDCDHN Cc1ccc(C[NH2+]CCO[C@H]2CCOC2)c([O-])c1 ZINC000897199507 620412747 /nfs/dbraw/zinc/41/27/47/620412747.db2.gz HURGKBYYTZPBKS-ZDUSSCGKSA-N 0 3 251.326 1.596 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000897684232 621072639 /nfs/dbraw/zinc/07/26/39/621072639.db2.gz LKFJZRRRAGGMSV-YGRLFVJLSA-N 0 3 252.333 1.704 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000787422032 621557101 /nfs/dbraw/zinc/55/71/01/621557101.db2.gz XSOPCUOZIJXTHP-SKDRFNHKSA-N 0 3 267.300 1.915 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000787422032 621557115 /nfs/dbraw/zinc/55/71/15/621557115.db2.gz XSOPCUOZIJXTHP-SKDRFNHKSA-N 0 3 267.300 1.915 20 10 CDCDHN Cc1cc(CN[C@@H]2C(=O)NCC2(C)C)ccc1N(C)C ZINC000925433748 632146635 /nfs/dbraw/zinc/14/66/35/632146635.db2.gz FYIUWTHVUPOZNO-CQSZACIVSA-N 0 3 275.396 1.675 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877055636 711527635 /nfs/dbraw/zinc/52/76/35/711527635.db2.gz DHNCVCJAOAIHGH-ZDUSSCGKSA-N 0 3 255.383 1.904 20 10 CDCDHN Nc1nc(N)nc(NCCCSc2nccs2)n1 ZINC000858408103 711839773 /nfs/dbraw/zinc/83/97/73/711839773.db2.gz LXFZGORYOPTHSK-UHFFFAOYSA-N 0 3 283.386 1.087 20 10 CDCDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H]1OC ZINC000775979203 711927771 /nfs/dbraw/zinc/92/77/71/711927771.db2.gz RTYKAEIRLFOYFN-IMJJTQAJSA-N 0 3 277.364 1.904 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000840826348 711956369 /nfs/dbraw/zinc/95/63/69/711956369.db2.gz UMUFMVKPVPWGIM-UWVGGRQHSA-N 0 3 266.316 1.708 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c([O-])c1 ZINC000858549690 712059734 /nfs/dbraw/zinc/05/97/34/712059734.db2.gz ZBQVFSRYWWYXPX-QWHCGFSZSA-N 0 3 264.369 1.418 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1c([O-])cccc1F ZINC000886524336 712070942 /nfs/dbraw/zinc/07/09/42/712070942.db2.gz ISLXPONXEYVKGQ-UWVGGRQHSA-N 0 3 256.321 1.104 20 10 CDCDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN)cc1 ZINC000076822611 712112378 /nfs/dbraw/zinc/11/23/78/712112378.db2.gz KMSMTFBEFHCDPH-HNNXBMFYSA-N 0 3 291.395 1.219 20 10 CDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000777219958 712132898 /nfs/dbraw/zinc/13/28/98/712132898.db2.gz OKQSCXRECSWQDR-DZGCQCFKSA-N 0 3 299.342 1.441 20 10 CDCDHN C[C@@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986193 712142895 /nfs/dbraw/zinc/14/28/95/712142895.db2.gz POSRHYJHQFIUBI-MNOVXSKESA-N 0 3 278.352 1.645 20 10 CDCDHN CC(C)[C@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958464 712186651 /nfs/dbraw/zinc/18/66/51/712186651.db2.gz JVUHJPCKSJZMCY-JOYOIKCWSA-N 0 3 267.329 1.934 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(N)CCC2)c1 ZINC000817965447 712219399 /nfs/dbraw/zinc/21/93/99/712219399.db2.gz VAKOEXRRQACCOL-JTQLQIEISA-N 0 3 278.352 1.711 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877591600 712291937 /nfs/dbraw/zinc/29/19/37/712291937.db2.gz GUAVRXNOMJYWOZ-UHFFFAOYSA-N 0 3 271.382 1.615 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000866421215 712332379 /nfs/dbraw/zinc/33/23/79/712332379.db2.gz XQWMCYULRDQGQX-AXTRIDKLSA-N 0 3 271.744 1.764 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC[C@@H]1CCCO1 ZINC000879649790 712385794 /nfs/dbraw/zinc/38/57/94/712385794.db2.gz USTVUZOWVOLHDV-UPJWGTAASA-N 0 3 292.379 1.727 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824559636 712400620 /nfs/dbraw/zinc/40/06/20/712400620.db2.gz XGJUZHBRNCFLIF-CQSZACIVSA-N 0 3 264.369 1.329 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000701668423 712433124 /nfs/dbraw/zinc/43/31/24/712433124.db2.gz IVBDLDFBYGVLNO-SECBINFHSA-N 0 3 270.304 1.880 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584761 712458835 /nfs/dbraw/zinc/45/88/35/712458835.db2.gz MMTWAWQXIMSIRF-NSHDSACASA-N 0 3 268.332 1.342 20 10 CDCDHN CC[C@H](C(=O)NCc1cc(C)ccc1O)N(C)C ZINC000862758425 712504239 /nfs/dbraw/zinc/50/42/39/712504239.db2.gz YSJMIJQJOSOYHX-GFCCVEGCSA-N 0 3 250.342 1.657 20 10 CDCDHN COc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1C ZINC000212583873 712759555 /nfs/dbraw/zinc/75/95/55/712759555.db2.gz JCZVUFFNEKIHTH-ZDUSSCGKSA-N 0 3 283.393 1.670 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000877497207 712767114 /nfs/dbraw/zinc/76/71/14/712767114.db2.gz JRWXITBAVIXSIZ-YPMHNXCESA-N 0 3 276.336 1.631 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000877497207 712767117 /nfs/dbraw/zinc/76/71/17/712767117.db2.gz JRWXITBAVIXSIZ-YPMHNXCESA-N 0 3 276.336 1.631 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000877628486 1166068024 /nfs/dbraw/zinc/06/80/24/1166068024.db2.gz IKZQDPSNUFPMKU-GXTWGEPZSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000877628486 1166068028 /nfs/dbraw/zinc/06/80/28/1166068028.db2.gz IKZQDPSNUFPMKU-GXTWGEPZSA-N 0 3 274.364 1.801 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173759893 912809522 /nfs/dbraw/zinc/80/95/22/912809522.db2.gz VJZVJCQLDFDOCC-NWDGAFQWSA-N 0 3 289.339 1.358 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000090721813 895888194 /nfs/dbraw/zinc/88/81/94/895888194.db2.gz CXMFOMKAMQTACE-DGCLKSJQSA-N 0 3 264.369 1.973 20 10 CDCDHN CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000308698277 896348168 /nfs/dbraw/zinc/34/81/68/896348168.db2.gz OYAJJLRFVUZLBB-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN CC(C)(C)c1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001235673811 914278815 /nfs/dbraw/zinc/27/88/15/914278815.db2.gz ACYJMRKSHCSTOG-CQSZACIVSA-N 0 3 279.380 1.883 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)CC2CC2)cc1 ZINC000312305110 899724784 /nfs/dbraw/zinc/72/47/84/899724784.db2.gz XUDKSGZSNZBISL-OAHLLOKOSA-N 0 3 275.396 1.838 20 10 CDCDHN NCc1cccc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168013412 905559038 /nfs/dbraw/zinc/55/90/38/905559038.db2.gz GAYJELKYRBHYQU-UHFFFAOYSA-N 0 3 275.308 1.312 20 10 CDCDHN C[NH+](C)CCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831476 936416385 /nfs/dbraw/zinc/41/63/85/936416385.db2.gz AWUDCEBCYDNVOA-UHFFFAOYSA-N 0 3 281.375 1.211 20 10 CDCDHN CC(=O)N1CCN(Cc2ccccc2O)C(C)(C)C1 ZINC000184725216 917696310 /nfs/dbraw/zinc/69/63/10/917696310.db2.gz PFNXRZXOLFJKRY-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN Cc1cc(CN2CC3(CN(C)C3)C2)ccc1N(C)C ZINC001139674238 936634768 /nfs/dbraw/zinc/63/47/68/936634768.db2.gz QMTBWXIVIOUDME-UHFFFAOYSA-N 0 3 259.397 1.808 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140055568 936674475 /nfs/dbraw/zinc/67/44/75/936674475.db2.gz LHGKZVWVKZQAHQ-NHAGDIPZSA-N 0 3 292.354 1.734 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140055568 936674476 /nfs/dbraw/zinc/67/44/76/936674476.db2.gz LHGKZVWVKZQAHQ-NHAGDIPZSA-N 0 3 292.354 1.734 20 10 CDCDHN O=C1NCC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063162 936675733 /nfs/dbraw/zinc/67/57/33/936675733.db2.gz LUSVOVFQMRJQPJ-CQSZACIVSA-N 0 3 264.300 1.243 20 10 CDCDHN O=C1NCC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063162 936675734 /nfs/dbraw/zinc/67/57/34/936675734.db2.gz LUSVOVFQMRJQPJ-CQSZACIVSA-N 0 3 264.300 1.243 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140744346 936749201 /nfs/dbraw/zinc/74/92/01/936749201.db2.gz UNHGRLXTZMSKSW-LBPRGKRZSA-N 0 3 291.269 1.905 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CCCO1 ZINC001140954010 936783636 /nfs/dbraw/zinc/78/36/36/936783636.db2.gz IWGUPNYGWFMHJY-AWEZNQCLSA-N 0 3 279.336 1.465 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001140952337 936783667 /nfs/dbraw/zinc/78/36/67/936783667.db2.gz NSZGAKIJOFOCNG-INIZCTEOSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001140952337 936783668 /nfs/dbraw/zinc/78/36/68/936783668.db2.gz NSZGAKIJOFOCNG-INIZCTEOSA-N 0 3 274.364 1.803 20 10 CDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000711674949 923812539 /nfs/dbraw/zinc/81/25/39/923812539.db2.gz NVYDONITMMQPHF-KCJUWKMLSA-N 0 3 273.329 1.054 20 10 CDCDHN CCN(Cc1ccccc1O)c1cc(CN)ncn1 ZINC001154890066 925985598 /nfs/dbraw/zinc/98/55/98/925985598.db2.gz PMJWFGASJHAMKO-UHFFFAOYSA-N 0 3 258.325 1.667 20 10 CDCDHN CCCN(CCS(=O)(=O)NC)Cc1ccccc1O ZINC000856727460 928618694 /nfs/dbraw/zinc/61/86/94/928618694.db2.gz NPIYINCNZVIXST-UHFFFAOYSA-N 0 3 286.397 1.153 20 10 CDCDHN COCCN(C)CCNC(=O)NCc1cc(C)ccc1O ZINC000858193365 928818173 /nfs/dbraw/zinc/81/81/73/928818173.db2.gz WNBRYTNXMHGELU-UHFFFAOYSA-N 0 3 295.383 1.078 20 10 CDCDHN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000858585851 928892365 /nfs/dbraw/zinc/89/23/65/928892365.db2.gz BSRZQIHKWSUBOV-VHSXEESVSA-N 0 3 252.314 1.451 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000817415530 930529608 /nfs/dbraw/zinc/52/96/08/930529608.db2.gz UNFYQHZBHHOXHR-HNNXBMFYSA-N 0 3 275.396 1.771 20 10 CDCDHN C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001116852133 937476009 /nfs/dbraw/zinc/47/60/09/937476009.db2.gz UBZRSNLIMRCQMA-VXGBXAGGSA-N 0 3 278.352 1.700 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275267022 931718833 /nfs/dbraw/zinc/71/88/33/931718833.db2.gz IXNORHNVSMZAMW-HOTGVXAUSA-N 0 3 298.390 1.964 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275267022 931718837 /nfs/dbraw/zinc/71/88/37/931718837.db2.gz IXNORHNVSMZAMW-HOTGVXAUSA-N 0 3 298.390 1.964 20 10 CDCDHN CCCNC(=O)CN[C@H](C)c1cccc(OC)c1O ZINC000846139026 931985551 /nfs/dbraw/zinc/98/55/51/931985551.db2.gz ZVIYWVHVQIIGJJ-SNVBAGLBSA-N 0 3 266.341 1.578 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001203620941 939697002 /nfs/dbraw/zinc/69/70/02/939697002.db2.gz KJHJPVFIVKNJDG-AWEZNQCLSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001203620941 939697003 /nfs/dbraw/zinc/69/70/03/939697003.db2.gz KJHJPVFIVKNJDG-AWEZNQCLSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001203620795 939697052 /nfs/dbraw/zinc/69/70/52/939697052.db2.gz IKBOIVWUBPWRKT-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001203620795 939697054 /nfs/dbraw/zinc/69/70/54/939697054.db2.gz IKBOIVWUBPWRKT-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](F)[C@@H](O)C2)cc1 ZINC001203929978 939714796 /nfs/dbraw/zinc/71/47/96/939714796.db2.gz MKZLOAONYNDZHS-KGLIPLIRSA-N 0 3 252.333 1.657 20 10 CDCDHN CCOc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276815300 941465143 /nfs/dbraw/zinc/46/51/43/941465143.db2.gz RCXIOYRDCHCCES-OKILXGFUSA-N 0 3 292.379 1.306 20 10 CDCDHN O=C([C@@H]1CC12CN(Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446993 942587949 /nfs/dbraw/zinc/58/79/49/942587949.db2.gz XTEATXIZBZGHHJ-AWEZNQCLSA-N 0 3 284.359 1.613 20 10 CDCDHN C[N@H+]1C[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]2C1 ZINC001231565879 942929697 /nfs/dbraw/zinc/92/96/97/942929697.db2.gz MNAMYORBFAXBAI-BETUJISGSA-N 0 3 276.336 1.084 20 10 CDCDHN C[N@@H+]1C[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]2C1 ZINC001231565879 942929701 /nfs/dbraw/zinc/92/97/01/942929701.db2.gz MNAMYORBFAXBAI-BETUJISGSA-N 0 3 276.336 1.084 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(O)c(O)cc2O)C1 ZINC001233486105 943594409 /nfs/dbraw/zinc/59/44/09/943594409.db2.gz YPCATUCXHOSPDX-ZJUUUORDSA-N 0 3 295.335 1.577 20 10 CDCDHN CC(C)c1ccc(C[N@H+](C)C[C@H](O)CO)c([O-])c1 ZINC001237048140 944645876 /nfs/dbraw/zinc/64/58/76/944645876.db2.gz AXYFNVDQYMYCNJ-ZDUSSCGKSA-N 0 3 253.342 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@@H+](C)C[C@H](O)CO)c([O-])c1 ZINC001237048140 944645880 /nfs/dbraw/zinc/64/58/80/944645880.db2.gz AXYFNVDQYMYCNJ-ZDUSSCGKSA-N 0 3 253.342 1.301 20 10 CDCDHN CCOc1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001237045736 944646803 /nfs/dbraw/zinc/64/68/03/944646803.db2.gz SQSWKVPLSZJDBE-UHFFFAOYSA-N 0 3 250.342 1.537 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC001238064072 945043830 /nfs/dbraw/zinc/04/38/30/945043830.db2.gz NWCYHHPSZAEASZ-DGCLKSJQSA-N 0 3 269.316 1.015 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CN1 ZINC001246240980 948049373 /nfs/dbraw/zinc/04/93/73/948049373.db2.gz UGSJHXOXMZSMEI-GVXVVHGQSA-N 0 3 278.352 1.336 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC001249218713 949465121 /nfs/dbraw/zinc/46/51/21/949465121.db2.gz ZSLNAYGACACMEZ-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC001249218713 949465126 /nfs/dbraw/zinc/46/51/26/949465126.db2.gz ZSLNAYGACACMEZ-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COc1cccc(O)c1CNCc1c(C)c(C)n[nH]c1=O ZINC001324924208 953640644 /nfs/dbraw/zinc/64/06/44/953640644.db2.gz XPDYAWJRKYNRQV-UHFFFAOYSA-N 0 3 289.335 1.803 20 10 CDCDHN Nc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC001334774471 954267859 /nfs/dbraw/zinc/26/78/59/954267859.db2.gz IVXQWPUEPDUNHC-ZIAGYGMSSA-N 0 3 259.353 1.512 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC001308689530 956563996 /nfs/dbraw/zinc/56/39/96/956563996.db2.gz OPBCAJCIBOCNFN-ZDUSSCGKSA-N 0 3 295.379 1.683 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC001308689530 956564000 /nfs/dbraw/zinc/56/40/00/956564000.db2.gz OPBCAJCIBOCNFN-ZDUSSCGKSA-N 0 3 295.379 1.683 20 10 CDCDHN C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC001347824605 965711793 /nfs/dbraw/zinc/71/17/93/965711793.db2.gz BZDAKRNYGNMCQD-SNVBAGLBSA-N 0 3 264.325 1.169 20 10 CDCDHN C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC001347824605 965711799 /nfs/dbraw/zinc/71/17/99/965711799.db2.gz BZDAKRNYGNMCQD-SNVBAGLBSA-N 0 3 264.325 1.169 20 10 CDCDHN CCc1cccc(CNCCS(=O)(=O)CC2CC2)c1O ZINC000848899218 969342324 /nfs/dbraw/zinc/34/23/24/969342324.db2.gz LDQCCSOJZKGUCO-UHFFFAOYSA-N 0 3 297.420 1.869 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000179802782 357225885 /nfs/dbraw/zinc/22/58/85/357225885.db2.gz ZYWUGGLDKGVIFD-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000179802782 357225886 /nfs/dbraw/zinc/22/58/86/357225886.db2.gz ZYWUGGLDKGVIFD-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000180681343 357282636 /nfs/dbraw/zinc/28/26/36/357282636.db2.gz ZLLJCIQBMNUXRH-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000180681343 357282640 /nfs/dbraw/zinc/28/26/40/357282640.db2.gz ZLLJCIQBMNUXRH-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC[C@@H](C)O)cc1OC ZINC000180307708 357261250 /nfs/dbraw/zinc/26/12/50/357261250.db2.gz HMOXOYTZGOSCRF-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC[C@@H](C)O)cc1OC ZINC000180307708 357261255 /nfs/dbraw/zinc/26/12/55/357261255.db2.gz HMOXOYTZGOSCRF-SNVBAGLBSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cccc(CN(C)CCNC(=O)C(C)C)c1O ZINC000092104248 358538665 /nfs/dbraw/zinc/53/86/65/358538665.db2.gz CFQZKHCBGXXDFQ-UHFFFAOYSA-N 0 3 280.368 1.605 20 10 CDCDHN C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(F)ccc1[O-] ZINC000287173408 359283820 /nfs/dbraw/zinc/28/38/20/359283820.db2.gz CFWOOCUGJMAQNY-SNVBAGLBSA-N 0 3 271.332 1.969 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296897364 200029490 /nfs/dbraw/zinc/02/94/90/200029490.db2.gz OSPIYKLEHFFAKG-NEPJUHHUSA-N 0 3 251.326 1.367 20 10 CDCDHN CN(C)c1ccc(CN(CCO)CCCO)cc1F ZINC000124430497 360367223 /nfs/dbraw/zinc/36/72/23/360367223.db2.gz ALVTWIXAFDVRHM-UHFFFAOYSA-N 0 3 270.348 1.068 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000269892503 364371639 /nfs/dbraw/zinc/37/16/39/364371639.db2.gz CQYRFCGLUQMLLN-DOTOQJQBSA-N 0 3 287.359 1.966 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C2(CO)CCOCC2)cc1OC ZINC000271913454 365007267 /nfs/dbraw/zinc/00/72/67/365007267.db2.gz YGPBJVBOYKDKMF-UHFFFAOYSA-N 0 3 297.351 1.041 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272584322 365307387 /nfs/dbraw/zinc/30/73/87/365307387.db2.gz YQWHEKXWSYLHRK-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272584322 365307393 /nfs/dbraw/zinc/30/73/93/365307393.db2.gz YQWHEKXWSYLHRK-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN CN1CCN(CCC[N@H+](C)Cc2ccccc2[O-])CC1 ZINC000272721399 365365477 /nfs/dbraw/zinc/36/54/77/365365477.db2.gz ZMMNEKGPZYZAMU-UHFFFAOYSA-N 0 3 277.412 1.462 20 10 CDCDHN CN1CCN(CCC[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000272721399 365365479 /nfs/dbraw/zinc/36/54/79/365365479.db2.gz ZMMNEKGPZYZAMU-UHFFFAOYSA-N 0 3 277.412 1.462 20 10 CDCDHN COc1cccc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000285360599 368617999 /nfs/dbraw/zinc/61/79/99/368617999.db2.gz BNCIABIUXSVXEZ-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN O=C1NCCCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295836060 371397869 /nfs/dbraw/zinc/39/78/69/371397869.db2.gz FIIYROLPKQOHOW-RYUDHWBXSA-N 0 3 260.337 1.638 20 10 CDCDHN Cc1cc(CN2CCCN(C=O)CC2)ccc1N(C)C ZINC000298163438 372063255 /nfs/dbraw/zinc/06/32/55/372063255.db2.gz SRUHQGULKIJBDL-UHFFFAOYSA-N 0 3 275.396 1.725 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293802124 378613354 /nfs/dbraw/zinc/61/33/54/378613354.db2.gz VEGJVLPSTCBVHJ-UHTWSYAYSA-N 0 3 281.352 1.591 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c([O-])c1C ZINC000296096656 378717581 /nfs/dbraw/zinc/71/75/81/378717581.db2.gz YLHCOORHYWQGLP-RAIGVLPGSA-N 0 3 251.326 1.419 20 10 CDCDHN Cc1c(/C=C\C(=O)N2C[C@@H](N)Cc3ccccc32)cnn1C ZINC000493050832 253357034 /nfs/dbraw/zinc/35/70/34/253357034.db2.gz OYUCUAAARLWOOG-LZNQSLFOSA-N 0 3 296.374 1.658 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1 ZINC000530227346 328718223 /nfs/dbraw/zinc/71/82/23/328718223.db2.gz SJNCFQKQEUBDPI-QWHCGFSZSA-N 0 3 264.369 1.648 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296601519 391061978 /nfs/dbraw/zinc/06/19/78/391061978.db2.gz XSXRWIPIFHJVKT-MFOWVQHXSA-N 0 3 277.364 1.899 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179372523 391203019 /nfs/dbraw/zinc/20/30/19/391203019.db2.gz OAUUGABALMVYIU-CYBMUJFWSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179372523 391203022 /nfs/dbraw/zinc/20/30/22/391203022.db2.gz OAUUGABALMVYIU-CYBMUJFWSA-N 0 3 293.363 1.986 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000179580055 391213019 /nfs/dbraw/zinc/21/30/19/391213019.db2.gz DJDUVHJZLRUMMG-CQSZACIVSA-N 0 3 276.380 1.546 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000179580055 391213020 /nfs/dbraw/zinc/21/30/20/391213020.db2.gz DJDUVHJZLRUMMG-CQSZACIVSA-N 0 3 276.380 1.546 20 10 CDCDHN CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183487676 391266135 /nfs/dbraw/zinc/26/61/35/391266135.db2.gz KYTDZUFHIMRVGI-JTQLQIEISA-N 0 3 257.355 1.478 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183516258 391266147 /nfs/dbraw/zinc/26/61/47/391266147.db2.gz ABVFVJWWPODVMB-FZMZJTMJSA-N 0 3 253.342 1.830 20 10 CDCDHN Cc1cccc(C[NH2+]CCC(=O)N2CCOCC2)c1[O-] ZINC000135757492 393309906 /nfs/dbraw/zinc/30/99/06/393309906.db2.gz SRWCATVIQFWZCC-UHFFFAOYSA-N 0 3 278.352 1.039 20 10 CDCDHN C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126464013 260351983 /nfs/dbraw/zinc/35/19/83/260351983.db2.gz FDYZOYVICIEFNW-JTQLQIEISA-N 0 3 264.325 1.264 20 10 CDCDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000186596761 262101265 /nfs/dbraw/zinc/10/12/65/262101265.db2.gz AVZUVMVLSLTQHQ-CYBMUJFWSA-N 0 3 295.402 1.647 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@H]1OC ZINC000272529798 263006025 /nfs/dbraw/zinc/00/60/25/263006025.db2.gz AYRYDNFYMLKIOJ-BPLDGKMQSA-N 0 3 281.352 1.683 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000377275581 268063119 /nfs/dbraw/zinc/06/31/19/268063119.db2.gz AKQRPADTWJMQMQ-CYBMUJFWSA-N 0 3 258.325 1.739 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000377275581 268063121 /nfs/dbraw/zinc/06/31/21/268063121.db2.gz AKQRPADTWJMQMQ-CYBMUJFWSA-N 0 3 258.325 1.739 20 10 CDCDHN CN(C)c1ccc(CNC[C@]2(O)CCSC2)cc1F ZINC000266996905 276802453 /nfs/dbraw/zinc/80/24/53/276802453.db2.gz BUVSZEBZNLZIID-CQSZACIVSA-N 0 3 284.400 1.849 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCCF)c1 ZINC000282690629 328243264 /nfs/dbraw/zinc/24/32/64/328243264.db2.gz KGGVCYHHHXCTJN-GHMZBOCLSA-N 0 3 268.332 1.825 20 10 CDCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000188496668 329369353 /nfs/dbraw/zinc/36/93/53/329369353.db2.gz MAGZVHDHXFJZHC-QWRGUYRKSA-N 0 3 250.342 1.910 20 10 CDCDHN CCN(Cc1cc(Br)ccc1[O-])C1C[NH2+]C1 ZINC000220803295 1159785865 /nfs/dbraw/zinc/78/58/65/1159785865.db2.gz KPXBYKHNGOMQAE-UHFFFAOYSA-N 0 3 285.185 1.948 20 10 CDCDHN CCCOc1ccc(CN(C)[C@@H]2COC[C@H]2O)c(O)c1 ZINC000289511006 520343791 /nfs/dbraw/zinc/34/37/91/520343791.db2.gz GTMDZXIMRWMKRR-UKRRQHHQSA-N 0 3 281.352 1.373 20 10 CDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825915 521276259 /nfs/dbraw/zinc/27/62/59/521276259.db2.gz VEDMWTIRZKAMSI-HNNXBMFYSA-N 0 3 263.385 1.886 20 10 CDCDHN CN(C)c1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000278498258 522215543 /nfs/dbraw/zinc/21/55/43/522215543.db2.gz NFVVOCFJACHHJD-OAHLLOKOSA-N 0 3 264.369 1.384 20 10 CDCDHN COC[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000278682995 522365415 /nfs/dbraw/zinc/36/54/15/522365415.db2.gz PDVRVVKPHUDCMH-GDBMZVCRSA-N 0 3 277.364 1.905 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCO1 ZINC000278784933 522747503 /nfs/dbraw/zinc/74/75/03/522747503.db2.gz ZQBGMNAXIKVBSP-AAEUAGOBSA-N 0 3 295.335 1.405 20 10 CDCDHN COCC1(C[NH2+]Cc2cc(OC)ccc2[O-])CCOCC1 ZINC000292736154 522900284 /nfs/dbraw/zinc/90/02/84/522900284.db2.gz GVIGXGKFXFYKDU-UHFFFAOYSA-N 0 3 295.379 1.934 20 10 CDCDHN COc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000282285953 524085007 /nfs/dbraw/zinc/08/50/07/524085007.db2.gz IQALSCJJMUMXKL-HZMBPMFUSA-N 0 3 262.353 1.618 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068800503 525396761 /nfs/dbraw/zinc/39/67/61/525396761.db2.gz MLCJIKCUKIHMPS-QWHCGFSZSA-N 0 3 263.385 1.289 20 10 CDCDHN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CC1 ZINC000279956337 526409095 /nfs/dbraw/zinc/40/90/95/526409095.db2.gz SOTOUQCXUCXJKN-ZDUSSCGKSA-N 0 3 290.363 1.383 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280365651 527606926 /nfs/dbraw/zinc/60/69/26/527606926.db2.gz UHGUOKXJYIKVFY-STQMWFEESA-N 0 3 251.326 1.127 20 10 CDCDHN COCC[N@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000732270546 575085363 /nfs/dbraw/zinc/08/53/63/575085363.db2.gz XCUJOUKIJNXQGL-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN COCC[N@@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000732270546 575085364 /nfs/dbraw/zinc/08/53/64/575085364.db2.gz XCUJOUKIJNXQGL-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN COCCN(C)CCCNC(=O)C1=CC(=O)CS1 ZINC000732270546 575085365 /nfs/dbraw/zinc/08/53/65/575085365.db2.gz XCUJOUKIJNXQGL-UHFFFAOYSA-N 0 3 272.370 1.152 20 10 CDCDHN C[C@@H]1C[N@H+](CCCNC(=O)c2cc([O-])cs2)CCCO1 ZINC000762922476 576693170 /nfs/dbraw/zinc/69/31/70/576693170.db2.gz UAAYWRBCWSPBSJ-LLVKDONJSA-N 0 3 298.408 1.684 20 10 CDCDHN C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([O-])cs2)CCCO1 ZINC000762922476 576693174 /nfs/dbraw/zinc/69/31/74/576693174.db2.gz UAAYWRBCWSPBSJ-LLVKDONJSA-N 0 3 298.408 1.684 20 10 CDCDHN C[C@@H]1CN(CCCNC(=O)C2=CC(=O)CS2)CCCO1 ZINC000762922476 576693176 /nfs/dbraw/zinc/69/31/76/576693176.db2.gz UAAYWRBCWSPBSJ-LLVKDONJSA-N 0 3 298.408 1.684 20 10 CDCDHN O=C(NCc1ccccc1O)N[C@H]1CCN(C2CC2)C1 ZINC000734271673 575334286 /nfs/dbraw/zinc/33/42/86/575334286.db2.gz DOULMVNMCAQPST-LBPRGKRZSA-N 0 3 275.352 1.428 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000770292675 575436943 /nfs/dbraw/zinc/43/69/43/575436943.db2.gz OFFHJPKFARRJGN-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000770292675 575436944 /nfs/dbraw/zinc/43/69/44/575436944.db2.gz OFFHJPKFARRJGN-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000771926707 575637384 /nfs/dbraw/zinc/63/73/84/575637384.db2.gz HNLWIWSVCCOQOY-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000771926707 575637387 /nfs/dbraw/zinc/63/73/87/575637387.db2.gz HNLWIWSVCCOQOY-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCCO1 ZINC000768442605 576283232 /nfs/dbraw/zinc/28/32/32/576283232.db2.gz MHRZRFJEGKCEAP-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCCO1 ZINC000768442605 576283235 /nfs/dbraw/zinc/28/32/35/576283235.db2.gz MHRZRFJEGKCEAP-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768446508 576284245 /nfs/dbraw/zinc/28/42/45/576284245.db2.gz KSYCRCDHKQUUSK-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768446508 576284246 /nfs/dbraw/zinc/28/42/46/576284246.db2.gz KSYCRCDHKQUUSK-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768448872 576284674 /nfs/dbraw/zinc/28/46/74/576284674.db2.gz YBCNJPLIOFDOBU-HZMBPMFUSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768448872 576284676 /nfs/dbraw/zinc/28/46/76/576284676.db2.gz YBCNJPLIOFDOBU-HZMBPMFUSA-N 0 3 279.336 1.429 20 10 CDCDHN COc1cc(CN2CC[C@H](OC)C2)c(O)cc1C ZINC000768463104 576287108 /nfs/dbraw/zinc/28/71/08/576287108.db2.gz GIKJFPLSACGEJH-LBPRGKRZSA-N 0 3 251.326 1.930 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000749127064 576936340 /nfs/dbraw/zinc/93/63/40/576936340.db2.gz UEFACWXXHVHOFF-NSHDSACASA-N 0 3 295.358 1.016 20 10 CDCDHN C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000036331694 617354582 /nfs/dbraw/zinc/35/45/82/617354582.db2.gz ICFSTTJWXVXBOY-SNVBAGLBSA-N 0 3 269.366 1.620 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1OC ZINC000894185871 618669611 /nfs/dbraw/zinc/66/96/11/618669611.db2.gz TUPIBZZWXXTTIX-NWANDNLSSA-N 0 3 281.352 1.683 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202698 620413109 /nfs/dbraw/zinc/41/31/09/620413109.db2.gz WOFGFZNQKUITRU-GFCCVEGCSA-N 0 3 255.289 1.426 20 10 CDCDHN CC[C@H](CO)N1CCN(c2ccc(OC)cc2)CC1 ZINC000929153196 621463329 /nfs/dbraw/zinc/46/33/29/621463329.db2.gz SNZUYXPBLVQFGN-CYBMUJFWSA-N 0 3 264.369 1.588 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877055613 1165966720 /nfs/dbraw/zinc/96/67/20/1165966720.db2.gz CUQMNBCVYWZCIJ-CYBMUJFWSA-N 0 3 255.383 1.904 20 10 CDCDHN Cc1cccc(O)c1CN1CCCN(S(C)(=O)=O)CC1 ZINC000876561445 1165870618 /nfs/dbraw/zinc/87/06/18/1165870618.db2.gz KASSFXSKXJHDMP-UHFFFAOYSA-N 0 3 298.408 1.168 20 10 CDCDHN CON(C)C(=O)[C@H](C)NCc1ccc(C)cc1O ZINC000877660079 1166075512 /nfs/dbraw/zinc/07/55/12/1166075512.db2.gz ILNAFNXPOATSLI-JTQLQIEISA-N 0 3 252.314 1.199 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879647577 1166389753 /nfs/dbraw/zinc/38/97/53/1166389753.db2.gz FCRLGEQUFJBEJR-RWMBFGLXSA-N 0 3 292.379 1.679 20 10 CDCDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834623945 895653784 /nfs/dbraw/zinc/65/37/84/895653784.db2.gz CLLFXOJVKDAADT-PWSUYJOCSA-N 0 3 283.393 1.792 20 10 CDCDHN CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618141 914185436 /nfs/dbraw/zinc/18/54/36/914185436.db2.gz BXJKTDDQTIUUQO-OAHLLOKOSA-N 0 3 260.337 1.446 20 10 CDCDHN CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618141 914185439 /nfs/dbraw/zinc/18/54/39/914185439.db2.gz BXJKTDDQTIUUQO-OAHLLOKOSA-N 0 3 260.337 1.446 20 10 CDCDHN NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179564909 898075110 /nfs/dbraw/zinc/07/51/10/898075110.db2.gz JCVCQXRVYGAJBV-LBPRGKRZSA-N 0 3 262.353 1.870 20 10 CDCDHN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179564909 898075124 /nfs/dbraw/zinc/07/51/24/898075124.db2.gz JCVCQXRVYGAJBV-LBPRGKRZSA-N 0 3 262.353 1.870 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C)C2)c1[O-] ZINC000228673476 901538499 /nfs/dbraw/zinc/53/84/99/901538499.db2.gz OYRNWIJFYOQJKE-LLVKDONJSA-N 0 3 270.760 1.848 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922180966 921324101 /nfs/dbraw/zinc/32/41/01/921324101.db2.gz QZLNZHYYJCXZGK-DZGCQCFKSA-N 0 3 263.337 1.515 20 10 CDCDHN C[C@H](NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258371 921523827 /nfs/dbraw/zinc/52/38/27/921523827.db2.gz YTVMBCRRNUEVED-ZDUSSCGKSA-N 0 3 291.395 1.262 20 10 CDCDHN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228941325 912013095 /nfs/dbraw/zinc/01/30/95/912013095.db2.gz MOGNEMWDCYKFMB-QWRGUYRKSA-N 0 3 250.342 1.956 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236807289 916528851 /nfs/dbraw/zinc/52/88/51/916528851.db2.gz FOVONLAVRVTGGM-FZMZJTMJSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236807289 916528860 /nfs/dbraw/zinc/52/88/60/916528860.db2.gz FOVONLAVRVTGGM-FZMZJTMJSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001236809495 916531387 /nfs/dbraw/zinc/53/13/87/916531387.db2.gz WHMXXINNMQMWSI-CQSZACIVSA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001236809495 916531401 /nfs/dbraw/zinc/53/14/01/916531401.db2.gz WHMXXINNMQMWSI-CQSZACIVSA-N 0 3 251.326 1.666 20 10 CDCDHN CCc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827125631 936492051 /nfs/dbraw/zinc/49/20/51/936492051.db2.gz NDBWFOHBROOOLF-MRXNPFEDSA-N 0 3 290.407 1.861 20 10 CDCDHN COc1cccc(CN(C)C[C@@H]2COCCO2)c1O ZINC000827140321 936493475 /nfs/dbraw/zinc/49/34/75/936493475.db2.gz JZUSNYRZRIMXPJ-GFCCVEGCSA-N 0 3 267.325 1.248 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385380897 918793279 /nfs/dbraw/zinc/79/32/79/918793279.db2.gz NZWRCCKIZZWKSS-SKDRFNHKSA-N 0 3 252.745 1.839 20 10 CDCDHN Cn1ccnc1N1CCN(Cc2ccccc2O)CC1 ZINC000827891246 936613445 /nfs/dbraw/zinc/61/34/45/936613445.db2.gz FFRQDVCKDOWZSG-UHFFFAOYSA-N 0 3 272.352 1.448 20 10 CDCDHN CO[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC1 ZINC000389169748 936645801 /nfs/dbraw/zinc/64/58/01/936645801.db2.gz HUYGDZLWJXOFBT-IUODEOHRSA-N 0 3 263.337 1.775 20 10 CDCDHN C[N@H+](CCC1OCCO1)Cc1cc(F)ccc1[O-] ZINC001140059164 936675204 /nfs/dbraw/zinc/67/52/04/936675204.db2.gz WPYLPMNGTNHIEX-UHFFFAOYSA-N 0 3 255.289 1.726 20 10 CDCDHN C[N@@H+](CCC1OCCO1)Cc1cc(F)ccc1[O-] ZINC001140059164 936675205 /nfs/dbraw/zinc/67/52/05/936675205.db2.gz WPYLPMNGTNHIEX-UHFFFAOYSA-N 0 3 255.289 1.726 20 10 CDCDHN CCN1CCN(c2ccc(CN3CCOCC3)cc2)CC1 ZINC001140300785 936699147 /nfs/dbraw/zinc/69/91/47/936699147.db2.gz UATDADUDQGLQJL-UHFFFAOYSA-N 0 3 289.423 1.661 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702572715 922570511 /nfs/dbraw/zinc/57/05/11/922570511.db2.gz IKZNFFOATRQMCV-FZMZJTMJSA-N 0 3 250.342 1.109 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031355 936794737 /nfs/dbraw/zinc/79/47/37/936794737.db2.gz DJBQTEUNKJNIIE-STQMWFEESA-N 0 3 299.342 1.704 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031355 936794738 /nfs/dbraw/zinc/79/47/38/936794738.db2.gz DJBQTEUNKJNIIE-STQMWFEESA-N 0 3 299.342 1.704 20 10 CDCDHN Cc1nc(CCN(C)Cc2cc(O)ccc2O)no1 ZINC001141156754 936821637 /nfs/dbraw/zinc/82/16/37/936821637.db2.gz UDQLSDKXYBSZDJ-UHFFFAOYSA-N 0 3 263.297 1.464 20 10 CDCDHN C[C@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203876008 925117886 /nfs/dbraw/zinc/11/78/86/925117886.db2.gz ZSJRNRQCACDBLW-CMPLNLGQSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H](NCC1OCCO1)c1ccc(N(C)C)cc1 ZINC000775836057 925389671 /nfs/dbraw/zinc/38/96/71/925389671.db2.gz XXTVUDPTZVGUED-LLVKDONJSA-N 0 3 250.342 1.776 20 10 CDCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000775984366 925755620 /nfs/dbraw/zinc/75/56/20/925755620.db2.gz FUSZPIQYURAGBF-WDEREUQCSA-N 0 3 278.352 1.645 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C[C@H]2C)c1[O-] ZINC000843362684 937142915 /nfs/dbraw/zinc/14/29/15/937142915.db2.gz NPFXUSHNUFQARO-KOLCDFICSA-N 0 3 280.343 1.903 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843364496 937143256 /nfs/dbraw/zinc/14/32/56/937143256.db2.gz KNZFKTGZVKDVHZ-KOLCDFICSA-N 0 3 280.343 1.903 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC001169335027 927958833 /nfs/dbraw/zinc/95/88/33/927958833.db2.gz PIHOCKBRMKRKTD-BXUZGUMPSA-N 0 3 295.335 1.298 20 10 CDCDHN CN(C)c1cc(F)c(CNCCN2CC[C@@H](O)C2)cc1F ZINC000858298671 928833842 /nfs/dbraw/zinc/83/38/42/928833842.db2.gz UITFFCVTWBMJAM-GFCCVEGCSA-N 0 3 299.365 1.187 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000796936122 937317138 /nfs/dbraw/zinc/31/71/38/937317138.db2.gz DSRVMCVTWIXOSM-DZGCQCFKSA-N 0 3 282.359 1.639 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000862519302 929421378 /nfs/dbraw/zinc/42/13/78/929421378.db2.gz ZUXQZCNVALYVCO-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000862519302 929421384 /nfs/dbraw/zinc/42/13/84/929421384.db2.gz ZUXQZCNVALYVCO-IYBDPMFKSA-N 0 3 295.379 1.214 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCNCC2)c1 ZINC000817935101 930635523 /nfs/dbraw/zinc/63/55/23/930635523.db2.gz GNCYGQMPGRNBET-JTQLQIEISA-N 0 3 278.352 1.581 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c([O-])c1 ZINC000824709555 931481027 /nfs/dbraw/zinc/48/10/27/931481027.db2.gz RBCRTOASPLKSHX-XJKSGUPXSA-N 0 3 295.379 1.932 20 10 CDCDHN C[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCCC1=O ZINC001144499857 931858624 /nfs/dbraw/zinc/85/86/24/931858624.db2.gz MITTWPSILURRFL-SECBINFHSA-N 0 3 265.309 1.604 20 10 CDCDHN COc1cccc([C@H](C)NCCS(=O)(=O)C2CC2)c1O ZINC000846172286 931985000 /nfs/dbraw/zinc/98/50/00/931985000.db2.gz KNHYEYQUTNTXLU-JTQLQIEISA-N 0 3 299.392 1.629 20 10 CDCDHN CCN1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000846208379 931987853 /nfs/dbraw/zinc/98/78/53/931987853.db2.gz JBLJNJMBDRKVQW-WCQYABFASA-N 0 3 274.364 1.838 20 10 CDCDHN C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000927079494 933043619 /nfs/dbraw/zinc/04/36/19/933043619.db2.gz FEBCAMZLTRRVFO-ZYHUDNBSSA-N 0 3 269.316 1.987 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCC([NH2+]CCO)CC1 ZINC000686283450 934029784 /nfs/dbraw/zinc/02/97/84/934029784.db2.gz YOLKFZXOZOAHRA-UHFFFAOYSA-N 0 3 284.787 1.592 20 10 CDCDHN C[C@@H]([NH2+]CCCn1cncn1)c1cc(F)ccc1[O-] ZINC000381659226 935683127 /nfs/dbraw/zinc/68/31/27/935683127.db2.gz DKQGCAMTXNXGLK-SNVBAGLBSA-N 0 3 264.304 1.864 20 10 CDCDHN C[C@H](CN)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000381753358 935752437 /nfs/dbraw/zinc/75/24/37/935752437.db2.gz RPVNEFISKXMMFG-MRVPVSSYSA-N 0 3 273.174 1.934 20 10 CDCDHN C[C@H](CN)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000381753358 935752440 /nfs/dbraw/zinc/75/24/40/935752440.db2.gz RPVNEFISKXMMFG-MRVPVSSYSA-N 0 3 273.174 1.934 20 10 CDCDHN COc1ncnc2c1CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203552666 939692995 /nfs/dbraw/zinc/69/29/95/939692995.db2.gz PQNYLTDSRHCJRL-UHFFFAOYSA-N 0 3 285.347 1.792 20 10 CDCDHN COc1ncnc2c1CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203552666 939692996 /nfs/dbraw/zinc/69/29/96/939692996.db2.gz PQNYLTDSRHCJRL-UHFFFAOYSA-N 0 3 285.347 1.792 20 10 CDCDHN CN(C)c1ccc(CN2CCc3nncn3CC2)cc1 ZINC001203931035 939714604 /nfs/dbraw/zinc/71/46/04/939714604.db2.gz LWMGCSISTIMELY-UHFFFAOYSA-N 0 3 271.368 1.402 20 10 CDCDHN O=C1CCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000405331600 940982222 /nfs/dbraw/zinc/98/22/22/940982222.db2.gz ASQZTGMPQKJEHI-GFCCVEGCSA-N 0 3 260.337 1.592 20 10 CDCDHN COc1ccc(CN2CC3(CC[N@@H+]3C)C2)c([O-])c1Cl ZINC001276805975 941355895 /nfs/dbraw/zinc/35/58/95/941355895.db2.gz FBSWRODUBNREAS-UHFFFAOYSA-N 0 3 282.771 1.944 20 10 CDCDHN COc1ccc(CN2CC3(CC[N@H+]3C)C2)c([O-])c1Cl ZINC001276805975 941355897 /nfs/dbraw/zinc/35/58/97/941355897.db2.gz FBSWRODUBNREAS-UHFFFAOYSA-N 0 3 282.771 1.944 20 10 CDCDHN O=C(Nc1cn[nH]c1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277440883 942576552 /nfs/dbraw/zinc/57/65/52/942576552.db2.gz GPRMASBTYOZFHI-UHFFFAOYSA-N 0 3 298.346 1.766 20 10 CDCDHN C[C@]1(O)COCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332588 943546384 /nfs/dbraw/zinc/54/63/84/943546384.db2.gz PYIIHSWSSPOWSP-CYBMUJFWSA-N 0 3 273.279 1.254 20 10 CDCDHN C[C@]1(O)COCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332588 943546387 /nfs/dbraw/zinc/54/63/87/943546387.db2.gz PYIIHSWSSPOWSP-CYBMUJFWSA-N 0 3 273.279 1.254 20 10 CDCDHN CC(C)N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482126 943591157 /nfs/dbraw/zinc/59/11/57/943591157.db2.gz AJKCWRUDBGEUNH-UHFFFAOYSA-N 0 3 266.341 1.329 20 10 CDCDHN C[C@H]1COCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483167 943593096 /nfs/dbraw/zinc/59/30/96/943593096.db2.gz PPIHIZJXOPSKAY-SECBINFHSA-N 0 3 253.298 1.272 20 10 CDCDHN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236320729 944468784 /nfs/dbraw/zinc/46/87/84/944468784.db2.gz CNVUHKNWPSIVLE-BETUJISGSA-N 0 3 290.363 1.522 20 10 CDCDHN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236320729 944468790 /nfs/dbraw/zinc/46/87/90/944468790.db2.gz CNVUHKNWPSIVLE-BETUJISGSA-N 0 3 290.363 1.522 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001237486868 944813273 /nfs/dbraw/zinc/81/32/73/944813273.db2.gz DCFPTHKCCJWDGM-AAEUAGOBSA-N 0 3 260.337 1.269 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001237486868 944813281 /nfs/dbraw/zinc/81/32/81/944813281.db2.gz DCFPTHKCCJWDGM-AAEUAGOBSA-N 0 3 260.337 1.269 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001237681396 944923924 /nfs/dbraw/zinc/92/39/24/944923924.db2.gz OYKHKXWJIQZCOG-GWCFXTLKSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1[O-] ZINC001237681396 944923930 /nfs/dbraw/zinc/92/39/30/944923930.db2.gz OYKHKXWJIQZCOG-GWCFXTLKSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1[O-] ZINC001237681396 944923931 /nfs/dbraw/zinc/92/39/31/944923931.db2.gz OYKHKXWJIQZCOG-GWCFXTLKSA-N 0 3 285.771 1.529 20 10 CDCDHN Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cn1 ZINC001261276321 946030838 /nfs/dbraw/zinc/03/08/38/946030838.db2.gz DSGAJOAWCHRJFS-DZGCQCFKSA-N 0 3 298.390 1.982 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001256020893 948162377 /nfs/dbraw/zinc/16/23/77/948162377.db2.gz RKPJQGRMCIKROA-NSHDSACASA-N 0 3 280.324 1.418 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(F)CC1)[C@H](O)CO2 ZINC001332135102 957446632 /nfs/dbraw/zinc/44/66/32/957446632.db2.gz KCBRTFDJAZDZDS-CYBMUJFWSA-N 0 3 267.300 1.752 20 10 CDCDHN C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222556 994335144 /nfs/dbraw/zinc/33/51/44/994335144.db2.gz KYMDPROZUMLTJC-UMNHJUIQSA-N 0 3 278.352 1.868 20 10 CDCDHN OC[C@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000184195417 343172360 /nfs/dbraw/zinc/17/23/60/343172360.db2.gz QASZKMPIWIEIEZ-QGZVFWFLSA-N 0 3 290.407 1.918 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](C)CC(C)(CO)CO)cc1C ZINC000093502652 342429328 /nfs/dbraw/zinc/42/93/28/342429328.db2.gz AGQUWDLKYVWSHH-UHFFFAOYSA-N 0 3 267.369 1.432 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](C)CC(C)(CO)CO)cc1C ZINC000093502652 342429329 /nfs/dbraw/zinc/42/93/29/342429329.db2.gz AGQUWDLKYVWSHH-UHFFFAOYSA-N 0 3 267.369 1.432 20 10 CDCDHN COC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000065550039 363313608 /nfs/dbraw/zinc/31/36/08/363313608.db2.gz CLYGWSFTNSNSLF-UHFFFAOYSA-N 0 3 292.379 1.518 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000036795323 356884757 /nfs/dbraw/zinc/88/47/57/356884757.db2.gz MIRMYGNTVKUYMZ-QWRGUYRKSA-N 0 3 250.342 1.876 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179943490 357231851 /nfs/dbraw/zinc/23/18/51/357231851.db2.gz FFEBPZPATSZNJX-VIFPVBQESA-N 0 3 255.289 1.772 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179943490 357231855 /nfs/dbraw/zinc/23/18/55/357231855.db2.gz FFEBPZPATSZNJX-VIFPVBQESA-N 0 3 255.289 1.772 20 10 CDCDHN CC[C@@H](NCCS(=O)(=O)NC)c1ccc(N(C)C)cc1 ZINC000187178617 357737847 /nfs/dbraw/zinc/73/78/47/357737847.db2.gz HPTKFPSSRUOCFD-CQSZACIVSA-N 0 3 299.440 1.343 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000191186912 358118608 /nfs/dbraw/zinc/11/86/08/358118608.db2.gz AAPIVSVPSWVYNU-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000191186912 358118612 /nfs/dbraw/zinc/11/86/12/358118612.db2.gz AAPIVSVPSWVYNU-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000294685976 199134428 /nfs/dbraw/zinc/13/44/28/199134428.db2.gz BLINLXFFJNFWEI-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cc(O)c(CN2CC(C(C)(C)O)C2)cc1OC ZINC000297503344 200212491 /nfs/dbraw/zinc/21/24/91/200212491.db2.gz WHOXHTQMUITRSG-UHFFFAOYSA-N 0 3 281.352 1.612 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)ccc1[O-] ZINC000530226677 361500638 /nfs/dbraw/zinc/50/06/38/361500638.db2.gz PTXZDPBLSVSORU-MWLCHTKSSA-N 0 3 254.305 1.170 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000366373667 361504417 /nfs/dbraw/zinc/50/44/17/361504417.db2.gz NABKRLBGNMHPQX-ZYHUDNBSSA-N 0 3 279.336 1.642 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000366373667 361504419 /nfs/dbraw/zinc/50/44/19/361504419.db2.gz NABKRLBGNMHPQX-ZYHUDNBSSA-N 0 3 279.336 1.642 20 10 CDCDHN CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1O ZINC000271284337 364979486 /nfs/dbraw/zinc/97/94/86/364979486.db2.gz OSCVJOUVWRNNGU-CYBMUJFWSA-N 0 3 298.408 1.296 20 10 CDCDHN COC[C@H](CNCc1ccc(N(C)C)c(F)c1)OC ZINC000272665777 365342260 /nfs/dbraw/zinc/34/22/60/365342260.db2.gz IXDXYOXOZLDRTK-LBPRGKRZSA-N 0 3 270.348 1.643 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1C ZINC000273524598 365504192 /nfs/dbraw/zinc/50/41/92/365504192.db2.gz UYCICBBZPFLJTO-WFASDCNBSA-N 0 3 265.353 1.811 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCCF ZINC000282946625 368115431 /nfs/dbraw/zinc/11/54/31/368115431.db2.gz ZAQYYVZLAZMEFX-UWVGGRQHSA-N 0 3 254.305 1.517 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C)cc1[O-] ZINC000530222525 368151383 /nfs/dbraw/zinc/15/13/83/368151383.db2.gz FZOPDYZHXIIFOK-TZMCWYRMSA-N 0 3 264.369 1.730 20 10 CDCDHN COc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284289253 368509468 /nfs/dbraw/zinc/50/94/68/368509468.db2.gz IAAFJMHTLGAMLJ-QWHCGFSZSA-N 0 3 294.395 1.288 20 10 CDCDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCS1(=O)=O ZINC000293929698 371348853 /nfs/dbraw/zinc/34/88/53/371348853.db2.gz NKVSBSNQZWMHDP-ONGXEEELSA-N 0 3 255.339 1.057 20 10 CDCDHN COc1ccc(N2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000298272604 372074528 /nfs/dbraw/zinc/07/45/28/372074528.db2.gz IGPAZPOSVYKWCW-UHFFFAOYSA-N 0 3 291.395 1.296 20 10 CDCDHN CN(C)c1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000298350994 372086175 /nfs/dbraw/zinc/08/61/75/372086175.db2.gz ONSFCMVJEFLZKQ-UHFFFAOYSA-N 0 3 290.411 1.600 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297861583 390671439 /nfs/dbraw/zinc/67/14/39/390671439.db2.gz UCSSRLKKWUBTCM-NEPJUHHUSA-N 0 3 251.326 1.367 20 10 CDCDHN CCOc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000131002818 390868892 /nfs/dbraw/zinc/86/88/92/390868892.db2.gz PVGKBRIJOXPROF-JEOXALJRSA-N 0 3 285.409 1.990 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)CSC)c1 ZINC000120616477 390873892 /nfs/dbraw/zinc/87/38/92/390873892.db2.gz NSXDLYRLUOQKFB-CQSZACIVSA-N 0 3 285.409 1.995 20 10 CDCDHN C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000293949675 390889812 /nfs/dbraw/zinc/88/98/12/390889812.db2.gz SAUZZKQVMDXOOV-OAHLLOKOSA-N 0 3 276.336 1.266 20 10 CDCDHN C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000293949675 390889813 /nfs/dbraw/zinc/88/98/13/390889813.db2.gz SAUZZKQVMDXOOV-OAHLLOKOSA-N 0 3 276.336 1.266 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000093809038 390904389 /nfs/dbraw/zinc/90/43/89/390904389.db2.gz OEJSVRAEYUELGE-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000093809038 390904390 /nfs/dbraw/zinc/90/43/90/390904390.db2.gz OEJSVRAEYUELGE-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093813876 390904895 /nfs/dbraw/zinc/90/48/95/390904895.db2.gz BNWNWIQVENNDJZ-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093813876 390904898 /nfs/dbraw/zinc/90/48/98/390904898.db2.gz BNWNWIQVENNDJZ-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000164756117 391289694 /nfs/dbraw/zinc/28/96/94/391289694.db2.gz QVKRTKZHAAWKGX-APPDUMDISA-N 0 3 255.383 1.947 20 10 CDCDHN C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccccc1[O-] ZINC000287170550 392085266 /nfs/dbraw/zinc/08/52/66/392085266.db2.gz CBQCIOGTBDOKDB-LLVKDONJSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000135756989 393309794 /nfs/dbraw/zinc/30/97/94/393309794.db2.gz AWEAIESMLAXUIM-UHFFFAOYSA-N 0 3 292.379 1.893 20 10 CDCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000126494689 260351915 /nfs/dbraw/zinc/35/19/15/260351915.db2.gz IUVGXEUDAGGSPL-AAEUAGOBSA-N 0 3 290.363 1.654 20 10 CDCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000126494689 260351916 /nfs/dbraw/zinc/35/19/16/260351916.db2.gz IUVGXEUDAGGSPL-AAEUAGOBSA-N 0 3 290.363 1.654 20 10 CDCDHN CN(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179214314 261772602 /nfs/dbraw/zinc/77/26/02/261772602.db2.gz VBZWVHAQKJAFKJ-UHFFFAOYSA-N 0 3 290.411 1.648 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668019 281350980 /nfs/dbraw/zinc/35/09/80/281350980.db2.gz DQNYRCPTIFINQA-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668019 281350981 /nfs/dbraw/zinc/35/09/81/281350981.db2.gz DQNYRCPTIFINQA-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236965212 328003912 /nfs/dbraw/zinc/00/39/12/328003912.db2.gz ZLHGPKWTVXBPOI-GFCCVEGCSA-N 0 3 267.348 1.635 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCCF)c1 ZINC000282690630 328243255 /nfs/dbraw/zinc/24/32/55/328243255.db2.gz KGGVCYHHHXCTJN-MNOVXSKESA-N 0 3 268.332 1.825 20 10 CDCDHN CNC(=O)C[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000269002692 330065783 /nfs/dbraw/zinc/06/57/83/330065783.db2.gz LYEGADUUXLIYQH-LBPRGKRZSA-N 0 3 275.396 1.683 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1OC ZINC000252838247 520429745 /nfs/dbraw/zinc/42/97/45/520429745.db2.gz BLSVNOCUBCEFNF-IACUBPJLSA-N 0 3 251.326 1.674 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000157128248 521346366 /nfs/dbraw/zinc/34/63/66/521346366.db2.gz KKXVKQZJSKDKCI-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000157128248 521346358 /nfs/dbraw/zinc/34/63/58/521346358.db2.gz KKXVKQZJSKDKCI-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C)cc1[O-] ZINC000280130285 522634823 /nfs/dbraw/zinc/63/48/23/522634823.db2.gz OXYUAJPUBJPOIO-HOCLYGCPSA-N 0 3 291.439 1.987 20 10 CDCDHN COC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H]1CCCO1 ZINC000279386535 522750108 /nfs/dbraw/zinc/75/01/08/522750108.db2.gz JVKSHXKHLAFBAH-KBPBESRZSA-N 0 3 265.353 1.984 20 10 CDCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000280302041 522947040 /nfs/dbraw/zinc/94/70/40/522947040.db2.gz ZYHBAZSQXBRYFN-WCQYABFASA-N 0 3 262.353 1.972 20 10 CDCDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C ZINC000237560958 524901302 /nfs/dbraw/zinc/90/13/02/524901302.db2.gz LKHKLZSRCSCJRB-SWLSCSKDSA-N 0 3 275.396 1.752 20 10 CDCDHN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000275486460 527472478 /nfs/dbraw/zinc/47/24/78/527472478.db2.gz ISUJZJGFDIXIOC-JSGCOSHPSA-N 0 3 273.336 1.746 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000725846030 574443876 /nfs/dbraw/zinc/44/38/76/574443876.db2.gz QLQSGRDOYKYHCR-ZDUSSCGKSA-N 0 3 294.395 1.601 20 10 CDCDHN CCCC[N@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732835460 575097863 /nfs/dbraw/zinc/09/78/63/575097863.db2.gz QRPOICDZFXOANI-UHFFFAOYSA-N 0 3 256.371 1.915 20 10 CDCDHN CCCC[N@@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732835460 575097864 /nfs/dbraw/zinc/09/78/64/575097864.db2.gz QRPOICDZFXOANI-UHFFFAOYSA-N 0 3 256.371 1.915 20 10 CDCDHN CN(C)c1ccc(CN2CCN(CCCCO)CC2)cc1 ZINC000769398694 575357230 /nfs/dbraw/zinc/35/72/30/575357230.db2.gz VHTMVWJHWPAKBZ-UHFFFAOYSA-N 0 3 291.439 1.643 20 10 CDCDHN COCC(=O)NC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000768885138 576316004 /nfs/dbraw/zinc/31/60/04/576316004.db2.gz UFQGAOXNJFDKJS-UHFFFAOYSA-N 0 3 292.379 1.428 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000769245727 576339680 /nfs/dbraw/zinc/33/96/80/576339680.db2.gz VHSLCPNKZCFGGX-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000769245727 576339681 /nfs/dbraw/zinc/33/96/81/576339681.db2.gz VHSLCPNKZCFGGX-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2cncn2C)cc1 ZINC000761221258 576560652 /nfs/dbraw/zinc/56/06/52/576560652.db2.gz CKJRAODCMLUPCP-UHFFFAOYSA-N 0 3 288.395 1.997 20 10 CDCDHN CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000743586872 576645797 /nfs/dbraw/zinc/64/57/97/576645797.db2.gz JOVWKMVTGQRUCQ-SNVBAGLBSA-N 0 3 256.371 1.770 20 10 CDCDHN CC(C)[C@@H](CN(C)C)NC(=O)C1=CC(=O)CS1 ZINC000743586872 576645800 /nfs/dbraw/zinc/64/58/00/576645800.db2.gz JOVWKMVTGQRUCQ-SNVBAGLBSA-N 0 3 256.371 1.770 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000756554877 576995386 /nfs/dbraw/zinc/99/53/86/576995386.db2.gz JVKLLICYMFTDSO-GXSJLCMTSA-N 0 3 272.776 1.619 20 10 CDCDHN COc1cccc(CNC2COC(C)(C)OC2)c1O ZINC000758010233 577067206 /nfs/dbraw/zinc/06/72/06/577067206.db2.gz GWPDNWPSOIXCMX-UHFFFAOYSA-N 0 3 267.325 1.642 20 10 CDCDHN COc1ccc(CNCC(=O)NCC2CC2)c(O)c1OC ZINC000893400476 617819648 /nfs/dbraw/zinc/81/96/48/617819648.db2.gz DSOAQCHRGZRTHZ-UHFFFAOYSA-N 0 3 294.351 1.025 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503792 618548471 /nfs/dbraw/zinc/54/84/71/618548471.db2.gz LNFPQJZKKBUYEP-CYBMUJFWSA-N 0 3 276.315 1.960 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503792 618548475 /nfs/dbraw/zinc/54/84/75/618548475.db2.gz LNFPQJZKKBUYEP-CYBMUJFWSA-N 0 3 276.315 1.960 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)COC(C)=O)c([O-])c1 ZINC000894186782 618675326 /nfs/dbraw/zinc/67/53/26/618675326.db2.gz YVQZNFRXMNANLI-VIFPVBQESA-N 0 3 253.298 1.442 20 10 CDCDHN [O-]c1ccc(Br)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841044783 618678388 /nfs/dbraw/zinc/67/83/88/618678388.db2.gz HPJLJUJMMDFWOR-SNVBAGLBSA-N 0 3 271.158 1.606 20 10 CDCDHN COc1cc(C)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000895401801 619635013 /nfs/dbraw/zinc/63/50/13/619635013.db2.gz CDWNMOVEGBQDTA-ZYHUDNBSSA-N 0 3 299.392 1.374 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000895575321 619732945 /nfs/dbraw/zinc/73/29/45/619732945.db2.gz AUANCCATQHOGBE-OKILXGFUSA-N 0 3 260.337 1.302 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000895575321 619732946 /nfs/dbraw/zinc/73/29/46/619732946.db2.gz AUANCCATQHOGBE-OKILXGFUSA-N 0 3 260.337 1.302 20 10 CDCDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000896621481 620170080 /nfs/dbraw/zinc/17/00/80/620170080.db2.gz PXRIYVBDKVUIKO-CQSZACIVSA-N 0 3 282.359 1.732 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(O)CCOCC2)c([O-])c1 ZINC000877014442 630589961 /nfs/dbraw/zinc/58/99/61/630589961.db2.gz AQVCYXZTCCJXGU-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000877044355 1165965096 /nfs/dbraw/zinc/96/50/96/1165965096.db2.gz ZLOOIHFFTIBJDK-OAHLLOKOSA-N 0 3 265.353 1.578 20 10 CDCDHN COC[C@H]1CN(Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000877465165 1166042907 /nfs/dbraw/zinc/04/29/07/1166042907.db2.gz VNKFYHCCZPIJHV-QWHCGFSZSA-N 0 3 265.353 1.936 20 10 CDCDHN CON1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877597028 1166064993 /nfs/dbraw/zinc/06/49/93/1166064993.db2.gz XVAAXFNUEKDEMB-UHFFFAOYSA-N 0 3 250.342 1.816 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)c([O-])c1 ZINC000877782222 1166099133 /nfs/dbraw/zinc/09/91/33/1166099133.db2.gz NWOSUXFOQPWBQZ-UHFFFAOYSA-N 0 3 274.364 1.803 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294666586 1184740548 /nfs/dbraw/zinc/74/05/48/1184740548.db2.gz ANBMBUZEISCTGZ-ZDUSSCGKSA-N 0 3 273.332 1.739 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294666586 1184740554 /nfs/dbraw/zinc/74/05/54/1184740554.db2.gz ANBMBUZEISCTGZ-ZDUSSCGKSA-N 0 3 273.332 1.739 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC001179849324 916011571 /nfs/dbraw/zinc/01/15/71/916011571.db2.gz CUFNAGRQORFYEJ-NSHDSACASA-N 0 3 278.352 1.407 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC001179849324 916011585 /nfs/dbraw/zinc/01/15/85/916011585.db2.gz CUFNAGRQORFYEJ-NSHDSACASA-N 0 3 278.352 1.407 20 10 CDCDHN c1snnc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212364114 919273274 /nfs/dbraw/zinc/27/32/74/919273274.db2.gz FGNHOIHJZZPEIY-UHFFFAOYSA-N 0 3 286.320 1.296 20 10 CDCDHN [O-]c1ccccc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001203552195 919341535 /nfs/dbraw/zinc/34/15/35/919341535.db2.gz DMWYJOPBRIBHMM-HUUCEWRRSA-N 0 3 296.374 1.750 20 10 CDCDHN Cc1cc(CN2CC(C(=O)N(C)C)C2)ccc1N(C)C ZINC001139672669 936634480 /nfs/dbraw/zinc/63/44/80/936634480.db2.gz AGFFUGDRSOGPAE-UHFFFAOYSA-N 0 3 275.396 1.581 20 10 CDCDHN CN1CCOc2cc(CN3CC[C@H]4OCC[C@H]43)ccc21 ZINC001141140219 936819035 /nfs/dbraw/zinc/81/90/35/936819035.db2.gz JGDOAFFNLDZXIF-HUUCEWRRSA-N 0 3 274.364 1.878 20 10 CDCDHN CC(C)(C)c1cccc(CN2CC(C(N)=O)C2)c1O ZINC001143112475 937121486 /nfs/dbraw/zinc/12/14/86/937121486.db2.gz RVRRSAYCPDWPPK-UHFFFAOYSA-N 0 3 262.353 1.607 20 10 CDCDHN [NH3+]CCN(C(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001148224498 932672445 /nfs/dbraw/zinc/67/24/45/932672445.db2.gz NGGITRPRGGLPHX-UHFFFAOYSA-N 0 3 290.294 1.842 20 10 CDCDHN CCc1nc(CNCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC001119971035 937768961 /nfs/dbraw/zinc/76/89/61/937768961.db2.gz FUZPZVMHUHIWFM-UHFFFAOYSA-N 0 3 292.339 1.380 20 10 CDCDHN Oc1cnc(N2CCN(Cc3ccccc3O)CC2)nc1 ZINC001203561369 939693176 /nfs/dbraw/zinc/69/31/76/939693176.db2.gz SRQRJIPYIFARNB-UHFFFAOYSA-N 0 3 286.335 1.210 20 10 CDCDHN CN(C)c1ccc(CN2CC(N3CCN(C)CC3)C2)cc1 ZINC001203936462 939715272 /nfs/dbraw/zinc/71/52/72/939715272.db2.gz GZXUJWJBWOKLQB-UHFFFAOYSA-N 0 3 288.439 1.184 20 10 CDCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278318 939751298 /nfs/dbraw/zinc/75/12/98/939751298.db2.gz DLKXTXAHWRGRBU-CMPLNLGQSA-N 0 3 279.336 1.729 20 10 CDCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278318 939751299 /nfs/dbraw/zinc/75/12/99/939751299.db2.gz DLKXTXAHWRGRBU-CMPLNLGQSA-N 0 3 279.336 1.729 20 10 CDCDHN C[C@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@H]1C[NH3+] ZINC001205141163 939827636 /nfs/dbraw/zinc/82/76/36/939827636.db2.gz XVKOVGJNAZASBU-DTWKUNHWSA-N 0 3 256.296 1.697 20 10 CDCDHN N[C@]1(C(F)(F)F)CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001206238693 940003882 /nfs/dbraw/zinc/00/38/82/940003882.db2.gz VEHBQEIJWKEDRU-LLVKDONJSA-N 0 3 292.257 1.269 20 10 CDCDHN CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485092 942779086 /nfs/dbraw/zinc/77/90/86/942779086.db2.gz XTCFCHPKKZUXGD-NSHDSACASA-N 0 3 278.327 1.441 20 10 CDCDHN CN(C)C(=O)[C@@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277485092 942779091 /nfs/dbraw/zinc/77/90/91/942779091.db2.gz XTCFCHPKKZUXGD-NSHDSACASA-N 0 3 278.327 1.441 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001277488848 942792917 /nfs/dbraw/zinc/79/29/17/942792917.db2.gz KUQKKXUELPUFFQ-BMIGLBTASA-N 0 3 278.327 1.584 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c([O-])cccc1F ZINC001277488848 942792921 /nfs/dbraw/zinc/79/29/21/942792921.db2.gz KUQKKXUELPUFFQ-BMIGLBTASA-N 0 3 278.327 1.584 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c([O-])cccc1F ZINC001277488848 942792923 /nfs/dbraw/zinc/79/29/23/942792923.db2.gz KUQKKXUELPUFFQ-BMIGLBTASA-N 0 3 278.327 1.584 20 10 CDCDHN CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1c(O)cccc1F ZINC001277488848 942792927 /nfs/dbraw/zinc/79/29/27/942792927.db2.gz KUQKKXUELPUFFQ-BMIGLBTASA-N 0 3 278.327 1.584 20 10 CDCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H](O)CO ZINC001231587306 942935484 /nfs/dbraw/zinc/93/54/84/942935484.db2.gz UDQPIJGKCARIRX-LBPRGKRZSA-N 0 3 261.321 1.330 20 10 CDCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H](O)CO ZINC001231587306 942935487 /nfs/dbraw/zinc/93/54/87/942935487.db2.gz UDQPIJGKCARIRX-LBPRGKRZSA-N 0 3 261.321 1.330 20 10 CDCDHN C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC[C@]1(C)O ZINC001233010377 943460392 /nfs/dbraw/zinc/46/03/92/943460392.db2.gz QEJVGKKRSPPEOP-BONVTDFDSA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@@]1(O)COCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332589 943546746 /nfs/dbraw/zinc/54/67/46/943546746.db2.gz PYIIHSWSSPOWSP-ZDUSSCGKSA-N 0 3 273.279 1.254 20 10 CDCDHN C[C@@]1(O)COCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332589 943546744 /nfs/dbraw/zinc/54/67/44/943546744.db2.gz PYIIHSWSSPOWSP-ZDUSSCGKSA-N 0 3 273.279 1.254 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@H]1O ZINC001233482733 943590468 /nfs/dbraw/zinc/59/04/68/943590468.db2.gz AFWWZGAXSZKTFK-PSASIEDQSA-N 0 3 253.298 1.006 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235674042 944240627 /nfs/dbraw/zinc/24/06/27/944240627.db2.gz CTKVQTFZRWYVIH-SWLSCSKDSA-N 0 3 279.380 1.475 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235674042 944240635 /nfs/dbraw/zinc/24/06/35/944240635.db2.gz CTKVQTFZRWYVIH-SWLSCSKDSA-N 0 3 279.380 1.475 20 10 CDCDHN [NH3+][C@]12CC[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001235990658 944355678 /nfs/dbraw/zinc/35/56/78/944355678.db2.gz KLSVDTCGSWCFDV-ZANVPECISA-N 0 3 252.745 1.969 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001236783064 944566382 /nfs/dbraw/zinc/56/63/82/944566382.db2.gz HQJMLHYDSGECDL-HOTGVXAUSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001236783064 944566386 /nfs/dbraw/zinc/56/63/86/944566386.db2.gz HQJMLHYDSGECDL-HOTGVXAUSA-N 0 3 279.380 1.520 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001236811639 944575839 /nfs/dbraw/zinc/57/58/39/944575839.db2.gz UMKHKFYFMDVFFL-XHDPSFHLSA-N 0 3 263.337 1.930 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001236811639 944575847 /nfs/dbraw/zinc/57/58/47/944575847.db2.gz UMKHKFYFMDVFFL-XHDPSFHLSA-N 0 3 263.337 1.930 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(OCC)cc1O ZINC001237048910 944645820 /nfs/dbraw/zinc/64/58/20/944645820.db2.gz ZSLQFFLGGORVQI-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001237050826 944647002 /nfs/dbraw/zinc/64/70/02/944647002.db2.gz XUGCRCWUEWQUHW-UHFFFAOYSA-N 0 3 288.351 1.441 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001237050826 944647009 /nfs/dbraw/zinc/64/70/09/944647009.db2.gz XUGCRCWUEWQUHW-UHFFFAOYSA-N 0 3 288.351 1.441 20 10 CDCDHN COc1cc(CN2C[C@@H](OC)[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237675087 944919528 /nfs/dbraw/zinc/91/95/28/944919528.db2.gz SLEGJARNCJBFET-OKILXGFUSA-N 0 3 297.351 1.255 20 10 CDCDHN Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cn1 ZINC001261276323 946029469 /nfs/dbraw/zinc/02/94/69/946029469.db2.gz DSGAJOAWCHRJFS-UKRRQHHQSA-N 0 3 298.390 1.982 20 10 CDCDHN COC(=O)Cc1ccc(CN2CCC[C@H]2C(C)=O)c(O)c1 ZINC001249217027 949459880 /nfs/dbraw/zinc/45/98/80/949459880.db2.gz KZIPQWAIBBSEOV-AWEZNQCLSA-N 0 3 291.347 1.661 20 10 CDCDHN C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257568 994531681 /nfs/dbraw/zinc/53/16/81/994531681.db2.gz QCQCPYXGAYKMRA-SNVBAGLBSA-N 0 3 278.352 1.741 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](CCO)CCCO)cc1C ZINC000093323915 342421942 /nfs/dbraw/zinc/42/19/42/342421942.db2.gz DVQAUBLKEMUINK-UHFFFAOYSA-N 0 3 253.342 1.186 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](CCO)CCCO)cc1C ZINC000093323915 342421943 /nfs/dbraw/zinc/42/19/43/342421943.db2.gz DVQAUBLKEMUINK-UHFFFAOYSA-N 0 3 253.342 1.186 20 10 CDCDHN CCOc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1[O-] ZINC000112017150 365853561 /nfs/dbraw/zinc/85/35/61/365853561.db2.gz CTTAWAFQSWXYLR-UHFFFAOYSA-N 0 3 292.379 1.939 20 10 CDCDHN CCC[N@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000068973515 349086247 /nfs/dbraw/zinc/08/62/47/349086247.db2.gz VIAHAECVFKSRPD-UHFFFAOYSA-N 0 3 260.341 1.896 20 10 CDCDHN CCC[N@@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000068973515 349086251 /nfs/dbraw/zinc/08/62/51/349086251.db2.gz VIAHAECVFKSRPD-UHFFFAOYSA-N 0 3 260.341 1.896 20 10 CDCDHN COc1ccc(N2CCN(CC(C)(C)O)CC2)cc1 ZINC000032113701 356125019 /nfs/dbraw/zinc/12/50/19/356125019.db2.gz CQUPPAJOIDMJBD-UHFFFAOYSA-N 0 3 264.369 1.588 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180213019 357252471 /nfs/dbraw/zinc/25/24/71/357252471.db2.gz ABWYGCPRILVUFA-UHFFFAOYSA-N 0 3 254.305 1.489 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180213019 357252479 /nfs/dbraw/zinc/25/24/79/357252479.db2.gz ABWYGCPRILVUFA-UHFFFAOYSA-N 0 3 254.305 1.489 20 10 CDCDHN CCOc1cccc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000294864200 199220269 /nfs/dbraw/zinc/22/02/69/199220269.db2.gz ONMOEDNZVGONGC-UHFFFAOYSA-N 0 3 294.395 1.337 20 10 CDCDHN CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000111232896 359195401 /nfs/dbraw/zinc/19/54/01/359195401.db2.gz NJFWSFXJWNQDBF-CQSZACIVSA-N 0 3 292.379 1.509 20 10 CDCDHN CNC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000111232896 359195409 /nfs/dbraw/zinc/19/54/09/359195409.db2.gz NJFWSFXJWNQDBF-CQSZACIVSA-N 0 3 292.379 1.509 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297823355 200286457 /nfs/dbraw/zinc/28/64/57/200286457.db2.gz RLNAPYRXOLTZEF-IUODEOHRSA-N 0 3 265.353 1.757 20 10 CDCDHN CC[N@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000271162737 364951922 /nfs/dbraw/zinc/95/19/22/364951922.db2.gz BAOQJCGAGFGRQY-UHFFFAOYSA-N 0 3 253.298 1.325 20 10 CDCDHN CC[N@@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000271162737 364951924 /nfs/dbraw/zinc/95/19/24/364951924.db2.gz BAOQJCGAGFGRQY-UHFFFAOYSA-N 0 3 253.298 1.325 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000168191316 364968627 /nfs/dbraw/zinc/96/86/27/364968627.db2.gz YNDLLXRSCJYQTN-VVVCHXIZSA-N 0 3 257.355 1.257 20 10 CDCDHN C[N@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OCO2 ZINC000271295307 364979414 /nfs/dbraw/zinc/97/94/14/364979414.db2.gz UNTVTNMJLFCIAS-UHFFFAOYSA-N 0 3 287.319 1.585 20 10 CDCDHN C[N@@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OCO2 ZINC000271295307 364979420 /nfs/dbraw/zinc/97/94/20/364979420.db2.gz UNTVTNMJLFCIAS-UHFFFAOYSA-N 0 3 287.319 1.585 20 10 CDCDHN CN(CCc1cnccn1)Cc1cc2c(cc1O)OCO2 ZINC000271295307 364979425 /nfs/dbraw/zinc/97/94/25/364979425.db2.gz UNTVTNMJLFCIAS-UHFFFAOYSA-N 0 3 287.319 1.585 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000272830984 365414940 /nfs/dbraw/zinc/41/49/40/365414940.db2.gz HWTBDOWGEPSCBE-QWHCGFSZSA-N 0 3 264.369 1.764 20 10 CDCDHN COc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000284289250 368509850 /nfs/dbraw/zinc/50/98/50/368509850.db2.gz IAAFJMHTLGAMLJ-CHWSQXEVSA-N 0 3 294.395 1.288 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)CC2 ZINC000296444664 378721164 /nfs/dbraw/zinc/72/11/64/378721164.db2.gz MUULYGPEWLEGFQ-RDBSUJKOSA-N 0 3 277.364 1.614 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCN(CCCO)C1)CC2 ZINC000297193905 378764982 /nfs/dbraw/zinc/76/49/82/378764982.db2.gz FOZHBGDDIRMHIB-LSDHHAIUSA-N 0 3 290.407 1.816 20 10 CDCDHN C[C@H]([NH2+]CCCOCCO)c1cc(F)ccc1[O-] ZINC000186514590 378851228 /nfs/dbraw/zinc/85/12/28/378851228.db2.gz HPQLQOURCLZFLW-JTQLQIEISA-N 0 3 257.305 1.581 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000120299608 390867936 /nfs/dbraw/zinc/86/79/36/390867936.db2.gz WXMVWTGFIQCAKC-INIZCTEOSA-N 0 3 276.380 1.744 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@](O)(C3CC3)C1)OCO2 ZINC000373321466 391115233 /nfs/dbraw/zinc/11/52/33/391115233.db2.gz SKCVRAKEGMQGTI-HNNXBMFYSA-N 0 3 277.320 1.468 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@](O)(C3CC3)C1)OCO2 ZINC000373321466 391115235 /nfs/dbraw/zinc/11/52/35/391115235.db2.gz SKCVRAKEGMQGTI-HNNXBMFYSA-N 0 3 277.320 1.468 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179372514 391202710 /nfs/dbraw/zinc/20/27/10/391202710.db2.gz OAUUGABALMVYIU-ZDUSSCGKSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179372514 391202714 /nfs/dbraw/zinc/20/27/14/391202714.db2.gz OAUUGABALMVYIU-ZDUSSCGKSA-N 0 3 293.363 1.986 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([O-])c1O ZINC000179531168 391209284 /nfs/dbraw/zinc/20/92/84/391209284.db2.gz HRCQJTGAVACQKE-NEPJUHHUSA-N 0 3 290.363 1.715 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([O-])c1O ZINC000179531168 391209288 /nfs/dbraw/zinc/20/92/88/391209288.db2.gz HRCQJTGAVACQKE-NEPJUHHUSA-N 0 3 290.363 1.715 20 10 CDCDHN COCC1(O)CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000270314634 391270363 /nfs/dbraw/zinc/27/03/63/391270363.db2.gz ZYALHNVBLMEDFD-UHFFFAOYSA-N 0 3 279.380 1.982 20 10 CDCDHN Oc1ccccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000361053450 391678697 /nfs/dbraw/zinc/67/86/97/391678697.db2.gz RKPNMZZNCDQSKM-HOCLYGCPSA-N 0 3 276.380 1.423 20 10 CDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)N1C ZINC000135260031 393299964 /nfs/dbraw/zinc/29/99/64/393299964.db2.gz DRUOICIXSPKIQN-PHIMTYICSA-N 0 3 278.352 1.645 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000038083085 174092538 /nfs/dbraw/zinc/09/25/38/174092538.db2.gz WBJCQHBRPRVNAX-VXGBXAGGSA-N 0 3 283.393 1.786 20 10 CDCDHN CCCOc1ccc(C[NH+]2CCC(C(N)=O)CC2)c([O-])c1 ZINC000158625377 261167892 /nfs/dbraw/zinc/16/78/92/261167892.db2.gz NQWIYZBEBLZYSP-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCCC1 ZINC000158923265 261174099 /nfs/dbraw/zinc/17/40/99/261174099.db2.gz XBUAIURWMLPXRK-LBPRGKRZSA-N 0 3 292.379 1.979 20 10 CDCDHN COc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1C ZINC000168210949 261411455 /nfs/dbraw/zinc/41/14/55/261411455.db2.gz QFJPEUAHOYCPTI-GTNSWQLSSA-N 0 3 255.383 1.860 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)O)c1[O-] ZINC000184708198 262026974 /nfs/dbraw/zinc/02/69/74/262026974.db2.gz SGNZAOWTHMVDOE-UHFFFAOYSA-N 0 3 259.733 1.915 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)COC2)c([O-])c1 ZINC000186146376 262082026 /nfs/dbraw/zinc/08/20/26/262082026.db2.gz MPURDGGPWWBGDB-LLVKDONJSA-N 0 3 251.326 1.360 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177599 262082533 /nfs/dbraw/zinc/08/25/33/262082533.db2.gz ZFWRFAQUJIQDOK-RISCZKNCSA-N 0 3 251.326 1.503 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000280900054 328236791 /nfs/dbraw/zinc/23/67/91/328236791.db2.gz PROYVQQRHZGBOH-SRVKXCTJSA-N 0 3 283.343 1.827 20 10 CDCDHN CCn1nncc1CN[C@@H](C)c1cc(F)ccc1O ZINC000527921285 330295790 /nfs/dbraw/zinc/29/57/90/330295790.db2.gz WEURCFPMRQTUKW-VIFPVBQESA-N 0 3 264.304 1.994 20 10 CDCDHN C[C@H](NCc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000134490206 334092086 /nfs/dbraw/zinc/09/20/86/334092086.db2.gz LTOSNORGOCJOJE-LBPRGKRZSA-N 0 3 274.364 1.722 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667515 334384558 /nfs/dbraw/zinc/38/45/58/334384558.db2.gz KTEQJBKGUKNEFB-UONOGXRCSA-N 0 3 262.353 1.345 20 10 CDCDHN CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000291077467 520418826 /nfs/dbraw/zinc/41/88/26/520418826.db2.gz ZEMDSLBOOJLONV-NSHDSACASA-N 0 3 280.368 1.948 20 10 CDCDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000291077467 520418843 /nfs/dbraw/zinc/41/88/43/520418843.db2.gz ZEMDSLBOOJLONV-NSHDSACASA-N 0 3 280.368 1.948 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1[O-])C(C)C ZINC000293014003 521744532 /nfs/dbraw/zinc/74/45/32/521744532.db2.gz PZDDAKWGSXPRGX-AWEZNQCLSA-N 0 3 264.369 1.951 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C)cc1[O-] ZINC000280130288 522620684 /nfs/dbraw/zinc/62/06/84/522620684.db2.gz OXYUAJPUBJPOIO-ZBFHGGJFSA-N 0 3 291.439 1.987 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000096832850 522843938 /nfs/dbraw/zinc/84/39/38/522843938.db2.gz RYXPQZRSGWDTEX-JTQLQIEISA-N 0 3 265.309 1.589 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000096832850 522843942 /nfs/dbraw/zinc/84/39/42/522843942.db2.gz RYXPQZRSGWDTEX-JTQLQIEISA-N 0 3 265.309 1.589 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)NCCN(C)C1CC1 ZINC000264919531 523382465 /nfs/dbraw/zinc/38/24/65/523382465.db2.gz YYVMXFQENOSTOR-UHFFFAOYSA-N 0 3 277.368 1.628 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289537613 524409848 /nfs/dbraw/zinc/40/98/48/524409848.db2.gz HWICPJDQFXMRIF-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289537613 524409858 /nfs/dbraw/zinc/40/98/58/524409858.db2.gz HWICPJDQFXMRIF-HOCLYGCPSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119082 524770007 /nfs/dbraw/zinc/77/00/07/524770007.db2.gz QMFDOKJFJHEEDJ-NSHDSACASA-N 0 3 261.325 1.948 20 10 CDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000096810809 524987484 /nfs/dbraw/zinc/98/74/84/524987484.db2.gz HYWFUKMJXCKDAP-SNVBAGLBSA-N 0 3 265.309 1.732 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCCN2CCN(C)CC2)c1 ZINC000071406442 525350495 /nfs/dbraw/zinc/35/04/95/525350495.db2.gz KAMOLWMGXKWBDT-UHFFFAOYSA-N 0 3 277.412 1.428 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289607646 525358865 /nfs/dbraw/zinc/35/88/65/525358865.db2.gz CYNLAFFSJAKSNR-GFCCVEGCSA-N 0 3 290.367 1.525 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280893291 525365674 /nfs/dbraw/zinc/36/56/74/525365674.db2.gz PGKXLPRXMPMOJI-BFHYXJOUSA-N 0 3 279.380 1.996 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c([O-])c1 ZINC000280812554 525722921 /nfs/dbraw/zinc/72/29/21/525722921.db2.gz JJALZIHCXCBPIQ-SECBINFHSA-N 0 3 272.295 1.733 20 10 CDCDHN C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000279569614 525881801 /nfs/dbraw/zinc/88/18/01/525881801.db2.gz AILKJOXFBMQEJR-OAHLLOKOSA-N 0 3 279.336 1.858 20 10 CDCDHN C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000279569614 525881809 /nfs/dbraw/zinc/88/18/09/525881809.db2.gz AILKJOXFBMQEJR-OAHLLOKOSA-N 0 3 279.336 1.858 20 10 CDCDHN COc1cccc(CN2CCC3(CC2)OCCO3)c1O ZINC000126120072 525936037 /nfs/dbraw/zinc/93/60/37/525936037.db2.gz MIGFJYYMXIPKJW-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN COc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC000126120072 525936045 /nfs/dbraw/zinc/93/60/45/525936045.db2.gz MIGFJYYMXIPKJW-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN Cn1ncc(CCC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000293513013 527567953 /nfs/dbraw/zinc/56/79/53/527567953.db2.gz AIZLBALXCORMAS-UHFFFAOYSA-N 0 3 264.304 1.382 20 10 CDCDHN Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000278295477 527615101 /nfs/dbraw/zinc/61/51/01/527615101.db2.gz CFNCWHKLYPJYLX-CQSZACIVSA-N 0 3 286.379 1.884 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2cnn(C)c2)cc1 ZINC000732410998 575089294 /nfs/dbraw/zinc/08/92/94/575089294.db2.gz PJRMZFUJMVACEG-UHFFFAOYSA-N 0 3 288.395 1.997 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(C(N)=O)CC2)c([O-])c1 ZINC000768141283 576260285 /nfs/dbraw/zinc/26/02/85/576260285.db2.gz VHJISFQMZNUTAD-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCOC1 ZINC000768446505 576284255 /nfs/dbraw/zinc/28/42/55/576284255.db2.gz KSYCRCDHKQUUSK-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCOC1 ZINC000768446505 576284257 /nfs/dbraw/zinc/28/42/57/576284257.db2.gz KSYCRCDHKQUUSK-IAQYHMDHSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCSC1 ZINC000768466319 576287926 /nfs/dbraw/zinc/28/79/26/576287926.db2.gz YSXVPUUAGYEUKC-MFKMUULPSA-N 0 3 281.377 1.755 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCSC1 ZINC000768466319 576287929 /nfs/dbraw/zinc/28/79/29/576287929.db2.gz YSXVPUUAGYEUKC-MFKMUULPSA-N 0 3 281.377 1.755 20 10 CDCDHN C[C@@H]1COCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465946 576288123 /nfs/dbraw/zinc/28/81/23/576288123.db2.gz UEPULPRSCUDMFS-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@@H]1COCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465946 576288126 /nfs/dbraw/zinc/28/81/26/576288126.db2.gz UEPULPRSCUDMFS-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN CN(C)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000769447491 576354657 /nfs/dbraw/zinc/35/46/57/576354657.db2.gz VTUUKAFHMYNAEC-UHFFFAOYSA-N 0 3 291.439 1.641 20 10 CDCDHN CCC(=O)N1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000742217786 576588898 /nfs/dbraw/zinc/58/88/98/576588898.db2.gz BIXGCDOVPQEGFJ-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1C1CC1 ZINC000753926760 576866303 /nfs/dbraw/zinc/86/63/03/576866303.db2.gz UFYZFBXUSOKODL-YPMHNXCESA-N 0 3 289.379 1.817 20 10 CDCDHN C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756551787 576995232 /nfs/dbraw/zinc/99/52/32/576995232.db2.gz AQBKVHOZUFDMMH-PSASIEDQSA-N 0 3 274.311 1.244 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC[C@@H](C)S(C)(=O)=O ZINC000840936232 617608846 /nfs/dbraw/zinc/60/88/46/617608846.db2.gz HCVATAJGGMKELQ-GFCCVEGCSA-N 0 3 284.425 1.584 20 10 CDCDHN COc1ccc(CN(C)CCn2cccn2)c(O)c1OC ZINC000892031720 617425610 /nfs/dbraw/zinc/42/56/10/617425610.db2.gz MXDPBENJGKSVBX-UHFFFAOYSA-N 0 3 291.351 1.738 20 10 CDCDHN CCN1CCN(Cc2ccc(OC)c(OC)c2O)[C@H](C)C1 ZINC000894405799 618862934 /nfs/dbraw/zinc/86/29/34/618862934.db2.gz MITATDZWNSKBTB-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN CCOc1cccc(CNC2(C)CN(C(=O)OC)C2)c1O ZINC000894542553 618952927 /nfs/dbraw/zinc/95/29/27/618952927.db2.gz MYQSWPSXWXXXFU-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000895575439 619732987 /nfs/dbraw/zinc/73/29/87/619732987.db2.gz DVZMTHRXRBZXMQ-BETUJISGSA-N 0 3 290.363 1.311 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000895575439 619732990 /nfs/dbraw/zinc/73/29/90/619732990.db2.gz DVZMTHRXRBZXMQ-BETUJISGSA-N 0 3 290.363 1.311 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000896962016 620326110 /nfs/dbraw/zinc/32/61/10/620326110.db2.gz HSVRBXHSIHCDOD-NSHDSACASA-N 0 3 279.336 1.786 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000896962016 620326112 /nfs/dbraw/zinc/32/61/12/620326112.db2.gz HSVRBXHSIHCDOD-NSHDSACASA-N 0 3 279.336 1.786 20 10 CDCDHN CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000151545593 630693916 /nfs/dbraw/zinc/69/39/16/630693916.db2.gz VVPBQCRJXXCFNT-ZWNOBZJWSA-N 0 3 280.368 1.918 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000126499631 678925657 /nfs/dbraw/zinc/92/56/57/678925657.db2.gz VQRZPFVJIZNQPR-NXEZZACHSA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000126499631 678925659 /nfs/dbraw/zinc/92/56/59/678925659.db2.gz VQRZPFVJIZNQPR-NXEZZACHSA-N 0 3 264.325 1.310 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922047092 677858007 /nfs/dbraw/zinc/85/80/07/677858007.db2.gz XZGLKCBRMNKKBV-GFCCVEGCSA-N 0 3 276.380 1.968 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848526369 677934378 /nfs/dbraw/zinc/93/43/78/677934378.db2.gz YAPVZNCATZLGIG-HNNXBMFYSA-N 0 3 276.380 1.735 20 10 CDCDHN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000858577392 678046232 /nfs/dbraw/zinc/04/62/32/678046232.db2.gz BSRZQIHKWSUBOV-UWVGGRQHSA-N 0 3 252.314 1.451 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)CC(F)F)CC2 ZINC000717743089 678028511 /nfs/dbraw/zinc/02/85/11/678028511.db2.gz GZLLIRYZJAYSTM-NXEZZACHSA-N 0 3 257.280 1.985 20 10 CDCDHN O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617021 678074230 /nfs/dbraw/zinc/07/42/30/678074230.db2.gz HWCJROXEKMIAGW-LLVKDONJSA-N 0 3 273.329 1.198 20 10 CDCDHN CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648709 678168639 /nfs/dbraw/zinc/16/86/39/678168639.db2.gz AFRAJQLTCFSRLB-OLZOCXBDSA-N 0 3 294.395 1.974 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850388502 677725913 /nfs/dbraw/zinc/72/59/13/677725913.db2.gz NFQQCEGUTYQWES-GFCCVEGCSA-N 0 3 265.353 1.899 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c([O-])c1 ZINC000877460384 677876675 /nfs/dbraw/zinc/87/66/75/677876675.db2.gz QSAFCWQDXICUSM-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCNC1=O ZINC000839196285 678293310 /nfs/dbraw/zinc/29/33/10/678293310.db2.gz UMDPCGFPKDWSKQ-SNVBAGLBSA-N 0 3 264.325 1.017 20 10 CDCDHN Cc1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000877437052 678395846 /nfs/dbraw/zinc/39/58/46/678395846.db2.gz UEXIIDUHKLCDNO-YPMHNXCESA-N 0 3 262.353 1.786 20 10 CDCDHN CCc1cccc(CN2CCCC[C@H]2C(N)=O)c1O ZINC000848881590 678397405 /nfs/dbraw/zinc/39/74/05/678397405.db2.gz YRIMZBHARAHRBT-ZDUSSCGKSA-N 0 3 262.353 1.794 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876727708 678427778 /nfs/dbraw/zinc/42/77/78/678427778.db2.gz AATHYUVCYPUOCC-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876727708 678427781 /nfs/dbraw/zinc/42/77/81/678427781.db2.gz AATHYUVCYPUOCC-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN C[C@@H](NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258370 678440988 /nfs/dbraw/zinc/44/09/88/678440988.db2.gz YTVMBCRRNUEVED-CYBMUJFWSA-N 0 3 291.395 1.262 20 10 CDCDHN COCC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000778999812 678441670 /nfs/dbraw/zinc/44/16/70/678441670.db2.gz KUNGOKARQRDGTD-UHFFFAOYSA-N 0 3 278.352 1.119 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@H]1OC ZINC000824709196 678443244 /nfs/dbraw/zinc/44/32/44/678443244.db2.gz OOWTTXQAPQXADK-IAQYHMDHSA-N 0 3 281.352 1.542 20 10 CDCDHN CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccccc1[O-] ZINC000775415654 678471276 /nfs/dbraw/zinc/47/12/76/678471276.db2.gz UHZCLICPEIQKFT-GFCCVEGCSA-N 0 3 286.397 1.372 20 10 CDCDHN CCOCCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876563579 678550072 /nfs/dbraw/zinc/55/00/72/678550072.db2.gz BBDLASZVLGWXFP-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@@H]1OC ZINC000775978929 678627841 /nfs/dbraw/zinc/62/78/41/678627841.db2.gz PIBDSDALZOELRA-GLQYFDAESA-N 0 3 281.352 1.683 20 10 CDCDHN CCOc1ccc(CN2CCSC[C@H]2CO)c(O)c1 ZINC000877780115 678759684 /nfs/dbraw/zinc/75/96/84/678759684.db2.gz KPFWARLFHCMPFI-GFCCVEGCSA-N 0 3 283.393 1.701 20 10 CDCDHN CN1CCN(Cc2cc(Cl)ccc2[O-])[C@@H](C[NH3+])C1 ZINC000226610166 678930751 /nfs/dbraw/zinc/93/07/51/678930751.db2.gz BVQGBGHOSFMQGB-LBPRGKRZSA-N 0 3 269.776 1.120 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000802310477 678931745 /nfs/dbraw/zinc/93/17/45/678931745.db2.gz VYIXYZHNQVHVBZ-KKZNHRDASA-N 0 3 269.316 1.677 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1[O-] ZINC000843378044 678933594 /nfs/dbraw/zinc/93/35/94/678933594.db2.gz YGVLLOKNUTYAEP-VHSXEESVSA-N 0 3 280.343 1.916 20 10 CDCDHN C[C@H](O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858138182 678952396 /nfs/dbraw/zinc/95/23/96/678952396.db2.gz RGGAPUKYLLWQHA-VIFPVBQESA-N 0 3 258.312 1.891 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(C)cc1[O-] ZINC000872141124 678971174 /nfs/dbraw/zinc/97/11/74/678971174.db2.gz MYOWURDPUMKDRT-UMVBOHGHSA-N 0 3 265.353 1.891 20 10 CDCDHN CC(=O)c1cc(Cl)cc(Cn2cc([C@H](C)N)nn2)c1O ZINC000880999063 678988889 /nfs/dbraw/zinc/98/88/89/678988889.db2.gz FIRKUZMRAVAZRY-ZETCQYMHSA-N 0 3 294.742 1.908 20 10 CDCDHN COc1ccc(C[NH2+]CC2(OC)CCOCC2)c([O-])c1 ZINC000123176233 679097932 /nfs/dbraw/zinc/09/79/32/679097932.db2.gz VONIGJKMJWLQEV-UHFFFAOYSA-N 0 3 281.352 1.686 20 10 CDCDHN CC(C)CC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528577 679109027 /nfs/dbraw/zinc/10/90/27/679109027.db2.gz ZBHXOUOOMBCCBY-AWEZNQCLSA-N 0 3 263.385 1.691 20 10 CDCDHN C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([O-])cs3)C[C@]2(C)C1 ZINC000887926223 679139626 /nfs/dbraw/zinc/13/96/26/679139626.db2.gz AIWGFXISJDXQMY-RNCFNFMXSA-N 0 3 266.366 1.477 20 10 CDCDHN C[N@H+]1C[C@@H]2CN(C(=O)c3cc([O-])cs3)C[C@]2(C)C1 ZINC000887926223 679139628 /nfs/dbraw/zinc/13/96/28/679139628.db2.gz AIWGFXISJDXQMY-RNCFNFMXSA-N 0 3 266.366 1.477 20 10 CDCDHN CN1C[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000887926223 679139630 /nfs/dbraw/zinc/13/96/30/679139630.db2.gz AIWGFXISJDXQMY-RNCFNFMXSA-N 0 3 266.366 1.477 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2COC[C@@H]2C)c([O-])c1 ZINC000922641456 679167516 /nfs/dbraw/zinc/16/75/16/679167516.db2.gz LTCBOJNBBFDEHM-GWCFXTLKSA-N 0 3 251.326 1.915 20 10 CDCDHN CCCNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036959688 679205541 /nfs/dbraw/zinc/20/55/41/679205541.db2.gz HMTMSHSYJXZWAS-QWRGUYRKSA-N 0 3 280.368 1.966 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000817410876 679347930 /nfs/dbraw/zinc/34/79/30/679347930.db2.gz JCDNSOVYTRKDMI-UHFFFAOYSA-N 0 3 264.325 1.146 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000877022257 679396669 /nfs/dbraw/zinc/39/66/69/679396669.db2.gz RPNUIIVSDLEIBK-UHFFFAOYSA-N 0 3 298.408 1.216 20 10 CDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000840826983 679398850 /nfs/dbraw/zinc/39/88/50/679398850.db2.gz YVRHBTBSAAWXIH-SCDSUCTJSA-N 0 3 251.326 1.765 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000775985537 679563507 /nfs/dbraw/zinc/56/35/07/679563507.db2.gz MURKAWZMANLBFC-NEPJUHHUSA-N 0 3 294.395 1.934 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O ZINC000228941418 679590948 /nfs/dbraw/zinc/59/09/48/679590948.db2.gz MHHBALQZEHLYDG-NSHDSACASA-N 0 3 280.368 1.794 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922938245 679631194 /nfs/dbraw/zinc/63/11/94/679631194.db2.gz BPIZQQZLPLVQMF-NSHDSACASA-N 0 3 267.325 1.296 20 10 CDCDHN COc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC000130013948 1161549253 /nfs/dbraw/zinc/54/92/53/1161549253.db2.gz NQDHZWYXZJXJAX-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncnn1C ZINC000877591528 1166063801 /nfs/dbraw/zinc/06/38/01/1166063801.db2.gz DZOBVEVOWQTBJV-ZDUSSCGKSA-N 0 3 287.411 1.910 20 10 CDCDHN COc1cc(CN2CCN(C)C(C)(C)C2)cc(O)c1O ZINC001204346813 917975094 /nfs/dbraw/zinc/97/50/94/917975094.db2.gz ZYNGPXZZQFOBLI-UHFFFAOYSA-N 0 3 280.368 1.632 20 10 CDCDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138126493 936475096 /nfs/dbraw/zinc/47/50/96/936475096.db2.gz CCHOEVKGYYAUTQ-DZGCQCFKSA-N 0 3 294.370 1.684 20 10 CDCDHN CC[N@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138126493 936475097 /nfs/dbraw/zinc/47/50/97/936475097.db2.gz CCHOEVKGYYAUTQ-DZGCQCFKSA-N 0 3 294.370 1.684 20 10 CDCDHN COc1cc(O)c(CN2CCC(=O)N(C)CC2)c(OC)c1 ZINC001141028383 936794142 /nfs/dbraw/zinc/79/41/42/936794142.db2.gz MQTIITWELOJACX-UHFFFAOYSA-N 0 3 294.351 1.074 20 10 CDCDHN CN1CCOc2cc(CN3CC[C@H](O)[C@@H](F)CC3)ccc21 ZINC001141141379 936819584 /nfs/dbraw/zinc/81/95/84/936819584.db2.gz XTVXLWCGTLWOIM-ZFWWWQNUSA-N 0 3 294.370 1.810 20 10 CDCDHN Oc1ccc(O)c(CN2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001141162933 936823582 /nfs/dbraw/zinc/82/35/82/936823582.db2.gz LHEUKGSNBQXABN-CYBMUJFWSA-N 0 3 287.319 1.541 20 10 CDCDHN CS(=O)(=O)C1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001169859178 928463653 /nfs/dbraw/zinc/46/36/53/928463653.db2.gz XOCQQHWFNWAHRN-UHFFFAOYSA-N 0 3 299.392 1.543 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274099436 931169149 /nfs/dbraw/zinc/16/91/49/931169149.db2.gz HVARILRLSMWLML-MRXNPFEDSA-N 0 3 292.354 1.894 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001274099436 931169152 /nfs/dbraw/zinc/16/91/52/931169152.db2.gz HVARILRLSMWLML-MRXNPFEDSA-N 0 3 292.354 1.894 20 10 CDCDHN C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589991 932755291 /nfs/dbraw/zinc/75/52/91/932755291.db2.gz UQYQNNWRHLMHEB-JTQLQIEISA-N 0 3 294.351 1.265 20 10 CDCDHN C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589991 932755296 /nfs/dbraw/zinc/75/52/96/932755296.db2.gz UQYQNNWRHLMHEB-JTQLQIEISA-N 0 3 294.351 1.265 20 10 CDCDHN O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cccc(O)c1[O-] ZINC001158269105 938602471 /nfs/dbraw/zinc/60/24/71/938602471.db2.gz OBUJDOARMCUNSG-NSHDSACASA-N 0 3 276.336 1.169 20 10 CDCDHN Cc1cc(N2CCN(Cc3ccccc3O)CC2)ncn1 ZINC001203560872 939693187 /nfs/dbraw/zinc/69/31/87/939693187.db2.gz IPKBMKUGSGBINM-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001203621304 939697425 /nfs/dbraw/zinc/69/74/25/939697425.db2.gz SHPQNBSPWFJGIX-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001203621304 939697427 /nfs/dbraw/zinc/69/74/27/939697427.db2.gz SHPQNBSPWFJGIX-JQWIXIFHSA-N 0 3 251.326 1.604 20 10 CDCDHN CC(C)(O)CCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204277688 939750831 /nfs/dbraw/zinc/75/08/31/939750831.db2.gz IGZBKBDGTSBPDW-UHFFFAOYSA-N 0 3 294.395 1.376 20 10 CDCDHN O=C1NC[C@]2(CCCN(Cc3ccc(O)cc3O)C2)O1 ZINC001204279424 939752440 /nfs/dbraw/zinc/75/24/40/939752440.db2.gz YSDGRIZMLVGYHA-AWEZNQCLSA-N 0 3 278.308 1.172 20 10 CDCDHN C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001219659335 941373408 /nfs/dbraw/zinc/37/34/08/941373408.db2.gz WDZBYOZLUPTUFH-UWVGGRQHSA-N 0 3 264.325 1.073 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001231588546 942936439 /nfs/dbraw/zinc/93/64/39/942936439.db2.gz UHNOOERQWLUOBU-DYVFJYSZSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001231588546 942936444 /nfs/dbraw/zinc/93/64/44/942936444.db2.gz UHNOOERQWLUOBU-DYVFJYSZSA-N 0 3 287.359 1.721 20 10 CDCDHN COC(=O)C[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486357 943594025 /nfs/dbraw/zinc/59/40/25/943594025.db2.gz KFLZTEIGVURVJK-JTQLQIEISA-N 0 3 295.335 1.579 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001236814396 944579304 /nfs/dbraw/zinc/57/93/04/944579304.db2.gz RNJMNKNUXBDOJN-NSHDSACASA-N 0 3 251.326 1.523 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001236814396 944579307 /nfs/dbraw/zinc/57/93/07/944579307.db2.gz RNJMNKNUXBDOJN-NSHDSACASA-N 0 3 251.326 1.523 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001236817652 944581860 /nfs/dbraw/zinc/58/18/60/944581860.db2.gz FOPHTMORBYMXMO-LLVKDONJSA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001236817652 944581863 /nfs/dbraw/zinc/58/18/63/944581863.db2.gz FOPHTMORBYMXMO-LLVKDONJSA-N 0 3 251.326 1.666 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001236827886 944584470 /nfs/dbraw/zinc/58/44/70/944584470.db2.gz VZPMMYDTHCQKBM-HNNXBMFYSA-N 0 3 273.332 1.739 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001236827886 944584472 /nfs/dbraw/zinc/58/44/72/944584472.db2.gz VZPMMYDTHCQKBM-HNNXBMFYSA-N 0 3 273.332 1.739 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046152 944645448 /nfs/dbraw/zinc/64/54/48/944645448.db2.gz QVTNNNDISAVHBV-DZGCQCFKSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046152 944645455 /nfs/dbraw/zinc/64/54/55/944645455.db2.gz QVTNNNDISAVHBV-DZGCQCFKSA-N 0 3 265.353 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237045908 944647519 /nfs/dbraw/zinc/64/75/19/944647519.db2.gz MWMOHEYTTLXGLQ-GJZGRUSLSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237045908 944647528 /nfs/dbraw/zinc/64/75/28/944647528.db2.gz MWMOHEYTTLXGLQ-GJZGRUSLSA-N 0 3 279.380 1.691 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237485361 944811963 /nfs/dbraw/zinc/81/19/63/944811963.db2.gz OTWKHGINUWDBLS-OCCSQVGLSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237485361 944811971 /nfs/dbraw/zinc/81/19/71/944811971.db2.gz OTWKHGINUWDBLS-OCCSQVGLSA-N 0 3 253.317 1.995 20 10 CDCDHN CC(C)(C)OC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253460536 951917233 /nfs/dbraw/zinc/91/72/33/951917233.db2.gz XGHITFLOHBWTCL-ZDUSSCGKSA-N 0 3 279.380 1.926 20 10 CDCDHN CC(C)(C)OC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253460536 951917248 /nfs/dbraw/zinc/91/72/48/951917248.db2.gz XGHITFLOHBWTCL-ZDUSSCGKSA-N 0 3 279.380 1.926 20 10 CDCDHN CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253474441 951925768 /nfs/dbraw/zinc/92/57/68/951925768.db2.gz RNWDBKANEGZAGG-GFCCVEGCSA-N 0 3 269.341 1.363 20 10 CDCDHN CN1CCN(c2ccc(CNCCF)cc2F)CC1 ZINC001321299627 959704768 /nfs/dbraw/zinc/70/47/68/959704768.db2.gz ODEPDAZLMJEKQC-UHFFFAOYSA-N 0 3 269.339 1.637 20 10 CDCDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c([O-])cccc1OC ZINC001321868620 959995574 /nfs/dbraw/zinc/99/55/74/959995574.db2.gz SDUINWVGTLBBMX-CMPLNLGQSA-N 0 3 279.336 1.832 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001339876773 962599529 /nfs/dbraw/zinc/59/95/29/962599529.db2.gz YRBWOUMFNSWQMU-CJNGLKHVSA-N 0 3 287.407 1.901 20 10 CDCDHN CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001344109539 964234361 /nfs/dbraw/zinc/23/43/61/964234361.db2.gz LZPQRCFBLBTJHV-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001344109539 964234369 /nfs/dbraw/zinc/23/43/69/964234369.db2.gz LZPQRCFBLBTJHV-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN COC(=O)NC1CCN(Cc2ccc(N)cc2)CC1 ZINC001356083359 969329242 /nfs/dbraw/zinc/32/92/42/969329242.db2.gz NOAYERMUPDWYOO-UHFFFAOYSA-N 0 3 263.341 1.589 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000848928441 969357927 /nfs/dbraw/zinc/35/79/27/969357927.db2.gz DJNOBGRTAJJTHP-JTQLQIEISA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000848928441 969357930 /nfs/dbraw/zinc/35/79/30/969357930.db2.gz DJNOBGRTAJJTHP-JTQLQIEISA-N 0 3 251.326 1.746 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000294994398 199289598 /nfs/dbraw/zinc/28/95/98/199289598.db2.gz HVDPHFYSYJEIGF-OAHLLOKOSA-N 0 3 279.336 1.404 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294994398 199289600 /nfs/dbraw/zinc/28/96/00/199289600.db2.gz HVDPHFYSYJEIGF-OAHLLOKOSA-N 0 3 279.336 1.404 20 10 CDCDHN CCC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801170 356536497 /nfs/dbraw/zinc/53/64/97/356536497.db2.gz MFOZQYCLMAJWQS-CQSZACIVSA-N 0 3 263.385 1.838 20 10 CDCDHN COCCOC[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180526103 357274509 /nfs/dbraw/zinc/27/45/09/357274509.db2.gz FSCOZWCDCMRCLJ-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180526103 357274514 /nfs/dbraw/zinc/27/45/14/357274514.db2.gz FSCOZWCDCMRCLJ-ZDUSSCGKSA-N 0 3 295.379 1.886 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000185365700 357536675 /nfs/dbraw/zinc/53/66/75/357536675.db2.gz ZUXPYOCBWWVITQ-LSDHHAIUSA-N 0 3 291.439 1.987 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1CO ZINC000191186600 358118212 /nfs/dbraw/zinc/11/82/12/358118212.db2.gz FHELQBJHGGELLY-MWLCHTKSSA-N 0 3 265.309 1.324 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1CO ZINC000191186600 358118214 /nfs/dbraw/zinc/11/82/14/358118214.db2.gz FHELQBJHGGELLY-MWLCHTKSSA-N 0 3 265.309 1.324 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H](C)OC)cc1OC ZINC000191204465 358118782 /nfs/dbraw/zinc/11/87/82/358118782.db2.gz JQDINXVVJFQYKR-VIFPVBQESA-N 0 3 255.314 1.534 20 10 CDCDHN C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615473 359705116 /nfs/dbraw/zinc/70/51/16/359705116.db2.gz JLXAOZBMJIHEPA-XLFHBGCDSA-N 0 3 259.346 1.778 20 10 CDCDHN COc1ccc(N2CCN(C[C@@H](O)C(C)C)CC2)cc1 ZINC000124055635 360886151 /nfs/dbraw/zinc/88/61/51/360886151.db2.gz NZNAVQFLQHZZEA-MRXNPFEDSA-N 0 3 278.396 1.834 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1[O-] ZINC000272872622 365427661 /nfs/dbraw/zinc/42/76/61/365427661.db2.gz OYQFVJOKDYIGBA-GXTWGEPZSA-N 0 3 291.395 1.383 20 10 CDCDHN COc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000282285960 367812989 /nfs/dbraw/zinc/81/29/89/367812989.db2.gz IQALSCJJMUMXKL-YGRLFVJLSA-N 0 3 262.353 1.618 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCCF ZINC000282883809 368086706 /nfs/dbraw/zinc/08/67/06/368086706.db2.gz YSUNZUQMWKWLPM-MRVPVSSYSA-N 0 3 258.268 1.095 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295209923 378661318 /nfs/dbraw/zinc/66/13/18/378661318.db2.gz ZXLLDOQBUXOHRD-CQSZACIVSA-N 0 3 282.359 1.468 20 10 CDCDHN COC(=O)N1CC(N[C@@H](C)c2cc(C)ccc2O)C1 ZINC000186137254 262080824 /nfs/dbraw/zinc/08/08/24/262080824.db2.gz AMNBTFYVVFSZCS-JTQLQIEISA-N 0 3 264.325 1.802 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CO)CCOCC1)CC2 ZINC000296973735 285248329 /nfs/dbraw/zinc/24/83/29/285248329.db2.gz RRZHQMNPEWDRKR-ZDUSSCGKSA-N 0 3 277.364 1.758 20 10 CDCDHN Cc1cccc(C[NH+]2CCC(N3CCNC3=O)CC2)c1[O-] ZINC000183388410 391262993 /nfs/dbraw/zinc/26/29/93/391262993.db2.gz RLBKVWYAAPZXRX-UHFFFAOYSA-N 0 3 289.379 1.690 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCCCO)cc1OC ZINC000194530780 391361565 /nfs/dbraw/zinc/36/15/65/391361565.db2.gz BYDMDUUTVYLWAX-UHFFFAOYSA-N 0 3 255.314 1.272 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047516 174057906 /nfs/dbraw/zinc/05/79/06/174057906.db2.gz PQVWQIZQXYMHPU-LLVKDONJSA-N 0 3 271.382 1.786 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)C(C)C)c(O)c1 ZINC000038876200 174158176 /nfs/dbraw/zinc/15/81/76/174158176.db2.gz YFCDKSCUZCBUJQ-LBPRGKRZSA-N 0 3 252.314 1.000 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1[O-] ZINC000036933134 260052900 /nfs/dbraw/zinc/05/29/00/260052900.db2.gz ASXXWKFPXPCHDV-GFCCVEGCSA-N 0 3 280.368 1.211 20 10 CDCDHN CN(C)c1ccc(CN(CCO)C2CC2)cc1F ZINC000153603375 261080925 /nfs/dbraw/zinc/08/09/25/261080925.db2.gz KEURBRNZAKFROR-UHFFFAOYSA-N 0 3 252.333 1.848 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157200056 261142320 /nfs/dbraw/zinc/14/23/20/261142320.db2.gz INMQNRWMHBIYLW-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157200056 261142322 /nfs/dbraw/zinc/14/23/22/261142322.db2.gz INMQNRWMHBIYLW-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000185777701 262069831 /nfs/dbraw/zinc/06/98/31/262069831.db2.gz BTBFNSWFPLWVTI-LBPRGKRZSA-N 0 3 294.351 1.721 20 10 CDCDHN CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccccc1[O-] ZINC000186290450 262087841 /nfs/dbraw/zinc/08/78/41/262087841.db2.gz IGCPNXXGIGZERP-GFCCVEGCSA-N 0 3 264.325 1.884 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177756 262312289 /nfs/dbraw/zinc/31/22/89/262312289.db2.gz ATWKGEOUAKYOKA-HZMBPMFUSA-N 0 3 267.325 1.203 20 10 CDCDHN COc1ccc(O)c(CN2CCC3(CCOC3=O)CC2)c1 ZINC000378442605 329050324 /nfs/dbraw/zinc/05/03/24/329050324.db2.gz KKLWKAIPNVEMQP-UHFFFAOYSA-N 0 3 291.347 1.930 20 10 CDCDHN Cc1ccc(O)c(CNCCS(=O)(=O)C(C)C)c1 ZINC000290054946 329954512 /nfs/dbraw/zinc/95/45/12/329954512.db2.gz DUONLYLWQSMZKG-UHFFFAOYSA-N 0 3 271.382 1.613 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134131521 334081699 /nfs/dbraw/zinc/08/16/99/334081699.db2.gz NNYZVZQIGHUYIT-CQSZACIVSA-N 0 3 262.353 1.299 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134131521 334081701 /nfs/dbraw/zinc/08/17/01/334081701.db2.gz NNYZVZQIGHUYIT-CQSZACIVSA-N 0 3 262.353 1.299 20 10 CDCDHN CCNC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C(C)C ZINC000292877578 521744402 /nfs/dbraw/zinc/74/44/02/521744402.db2.gz DTOHXJWQNVALQK-AWEZNQCLSA-N 0 3 294.351 1.371 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000292877578 521744403 /nfs/dbraw/zinc/74/44/03/521744403.db2.gz DTOHXJWQNVALQK-AWEZNQCLSA-N 0 3 294.351 1.371 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@@H](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000278911120 521880163 /nfs/dbraw/zinc/88/01/63/521880163.db2.gz SPMIUTXEDLZMBQ-JTQLQIEISA-N 0 3 297.355 1.739 20 10 CDCDHN COc1c([O-])c(CN[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278911120 521880170 /nfs/dbraw/zinc/88/01/70/521880170.db2.gz SPMIUTXEDLZMBQ-JTQLQIEISA-N 0 3 297.355 1.739 20 10 CDCDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000082284174 522036373 /nfs/dbraw/zinc/03/63/73/522036373.db2.gz KBQNYRUEYROBBI-CQSZACIVSA-N 0 3 261.369 1.364 20 10 CDCDHN CN(C)c1ccc(CNCCN2CCCOCC2)cc1F ZINC000289388384 522207133 /nfs/dbraw/zinc/20/71/33/522207133.db2.gz DMXUWGXVDRLOCY-UHFFFAOYSA-N 0 3 295.402 1.704 20 10 CDCDHN CN(C)c1ccc(CNC[C@H](O)C2CC2)cc1F ZINC000265096341 522209125 /nfs/dbraw/zinc/20/91/25/522209125.db2.gz PXZBHKGCWJMPPI-AWEZNQCLSA-N 0 3 252.333 1.752 20 10 CDCDHN COC[C@@H](CNCc1ccc(N(C)C)c(F)c1)OC ZINC000272665775 522298974 /nfs/dbraw/zinc/29/89/74/522298974.db2.gz IXDXYOXOZLDRTK-GFCCVEGCSA-N 0 3 270.348 1.643 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H](O)COC)c1ccc(C)cc1[O-] ZINC000280245561 522609856 /nfs/dbraw/zinc/60/98/56/522609856.db2.gz WGKSXEGTNDHLDC-YPMHNXCESA-N 0 3 253.342 1.749 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068801429 522635941 /nfs/dbraw/zinc/63/59/41/522635941.db2.gz SEICTMSSDSEJQC-ZFWWWQNUSA-N 0 3 277.412 1.679 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000275353373 522830779 /nfs/dbraw/zinc/83/07/79/522830779.db2.gz ZSNYGBMZQSVAAX-UHFFFAOYSA-N 0 3 295.335 1.452 20 10 CDCDHN CCn1nccc1CNCc1cccc(OC)c1O ZINC000020352709 523729304 /nfs/dbraw/zinc/72/93/04/523729304.db2.gz GNKCMPBXZQGOMU-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN COCCOCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000044693651 524010882 /nfs/dbraw/zinc/01/08/82/524010882.db2.gz MBVZQWQWJZGAKZ-LLVKDONJSA-N 0 3 269.341 1.714 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280445564 524745616 /nfs/dbraw/zinc/74/56/16/524745616.db2.gz KUVWJUQKLGBIJX-CYBMUJFWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280445564 524745624 /nfs/dbraw/zinc/74/56/24/524745624.db2.gz KUVWJUQKLGBIJX-CYBMUJFWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2cnn(C)n2)c1 ZINC000293032379 524764381 /nfs/dbraw/zinc/76/43/81/524764381.db2.gz ADMXERQCVHXTAJ-LLVKDONJSA-N 0 3 290.367 1.813 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)NCC(F)F)c1 ZINC000280941411 525362764 /nfs/dbraw/zinc/36/27/64/525362764.db2.gz SMHYTDWMCXZXLT-VIFPVBQESA-N 0 3 272.295 1.733 20 10 CDCDHN C[C@@H](N[C@@H](C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000127637479 525599739 /nfs/dbraw/zinc/59/97/39/525599739.db2.gz WNRURIFTJHBXAQ-NWDGAFQWSA-N 0 3 282.359 1.694 20 10 CDCDHN C[C@@H]1OCC[C@]12CN(Cc1ccccc1O)CCO2 ZINC000279748067 525604809 /nfs/dbraw/zinc/60/48/09/525604809.db2.gz YEWJWVWWIXNRNO-WFASDCNBSA-N 0 3 263.337 1.772 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c([O-])c1 ZINC000748242790 574517000 /nfs/dbraw/zinc/51/70/00/574517000.db2.gz QQXWVAQEJSMPOO-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCOC1 ZINC000738082345 576037333 /nfs/dbraw/zinc/03/73/33/576037333.db2.gz QZEKQNDKAPZITL-LLVKDONJSA-N 0 3 279.336 1.979 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCOC1 ZINC000738082345 576037335 /nfs/dbraw/zinc/03/73/35/576037335.db2.gz QZEKQNDKAPZITL-LLVKDONJSA-N 0 3 279.336 1.979 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000765797233 576056666 /nfs/dbraw/zinc/05/66/66/576056666.db2.gz QXHOGQAVJAMONY-JSGCOSHPSA-N 0 3 293.386 1.896 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000765797245 576056723 /nfs/dbraw/zinc/05/67/23/576056723.db2.gz RBYQHCGCDHXZTD-NEPJUHHUSA-N 0 3 278.352 1.405 20 10 CDCDHN COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464416 576287193 /nfs/dbraw/zinc/28/71/93/576287193.db2.gz QUJVQJFCSKMXOS-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN COC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464416 576287195 /nfs/dbraw/zinc/28/71/95/576287195.db2.gz QUJVQJFCSKMXOS-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(C)(O)CC1 ZINC000769446895 576354769 /nfs/dbraw/zinc/35/47/69/576354769.db2.gz OWSIVELUHMZOSF-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000756546933 576994674 /nfs/dbraw/zinc/99/46/74/576994674.db2.gz WARSBLHZHJCXGI-NEPJUHHUSA-N 0 3 282.359 1.903 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)NC(C)C)c1 ZINC000840974239 617933262 /nfs/dbraw/zinc/93/32/62/617933262.db2.gz CCVPOWPCJNGWMY-LLVKDONJSA-N 0 3 280.368 1.794 20 10 CDCDHN C[NH2+][C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219381909 617694933 /nfs/dbraw/zinc/69/49/33/617694933.db2.gz XZSFHHIAAKJFAP-NSHDSACASA-N 0 3 285.185 1.948 20 10 CDCDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000893668985 617818252 /nfs/dbraw/zinc/81/82/52/617818252.db2.gz JGGHFSJALJQDCU-RYUDHWBXSA-N 0 3 294.395 1.934 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503334 618548214 /nfs/dbraw/zinc/54/82/14/618548214.db2.gz GIEYHEWFZZZLRY-CYBMUJFWSA-N 0 3 258.325 1.821 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503334 618548224 /nfs/dbraw/zinc/54/82/24/618548224.db2.gz GIEYHEWFZZZLRY-CYBMUJFWSA-N 0 3 258.325 1.821 20 10 CDCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1F ZINC000895331928 619578358 /nfs/dbraw/zinc/57/83/58/619578358.db2.gz SFXVSDQDHRJMHX-DOMZBBRYSA-N 0 3 282.359 1.209 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702572720 683130612 /nfs/dbraw/zinc/13/06/12/683130612.db2.gz IKZNFFOATRQMCV-SMDDNHRTSA-N 0 3 250.342 1.109 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C)c1 ZINC000037225384 679768870 /nfs/dbraw/zinc/76/88/70/679768870.db2.gz QDGONNPGLONBHT-SECBINFHSA-N 0 3 252.314 1.140 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000827700246 679769361 /nfs/dbraw/zinc/76/93/61/679769361.db2.gz QTMRAKFJFMXELJ-YGRLFVJLSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)CO ZINC000827700246 679769362 /nfs/dbraw/zinc/76/93/62/679769362.db2.gz QTMRAKFJFMXELJ-YGRLFVJLSA-N 0 3 253.317 1.982 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000877467155 679805975 /nfs/dbraw/zinc/80/59/75/679805975.db2.gz XARBFBWGOBECKK-SLEUVZQESA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000877467155 679805977 /nfs/dbraw/zinc/80/59/77/679805977.db2.gz XARBFBWGOBECKK-SLEUVZQESA-N 0 3 274.364 1.786 20 10 CDCDHN [O-]c1c(F)cccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125179 679813128 /nfs/dbraw/zinc/81/31/28/679813128.db2.gz ZROCDYXNFUVYIZ-CYBMUJFWSA-N 0 3 279.359 1.011 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843364495 679816845 /nfs/dbraw/zinc/81/68/45/679816845.db2.gz KNZFKTGZVKDVHZ-GXSJLCMTSA-N 0 3 280.343 1.903 20 10 CDCDHN C[C@H]([NH2+]CCCn1cncn1)c1cc(F)ccc1[O-] ZINC000381659223 679843077 /nfs/dbraw/zinc/84/30/77/679843077.db2.gz DKQGCAMTXNXGLK-JTQLQIEISA-N 0 3 264.304 1.864 20 10 CDCDHN CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648750 681515834 /nfs/dbraw/zinc/51/58/34/681515834.db2.gz CEBSTTSEDMLIOH-LLVKDONJSA-N 0 3 271.382 1.868 20 10 CDCDHN CC(C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049442485 681554400 /nfs/dbraw/zinc/55/44/00/681554400.db2.gz SKKMEMIQDMEGEH-UHFFFAOYSA-N 0 3 277.412 1.957 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1[O-] ZINC000879648453 681721980 /nfs/dbraw/zinc/72/19/80/681721980.db2.gz PVRKRLIQFMZFEZ-GFCCVEGCSA-N 0 3 285.347 1.754 20 10 CDCDHN CCc1cccc(CN[C@H](CO)c2cnn(C)c2)c1O ZINC000848900618 681778305 /nfs/dbraw/zinc/77/83/05/681778305.db2.gz OPCHWWZEDDURKA-CQSZACIVSA-N 0 3 275.352 1.511 20 10 CDCDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C[NH+](C)C ZINC000193090724 681885857 /nfs/dbraw/zinc/88/58/57/681885857.db2.gz KCLSOUPQTZLKGF-SNVBAGLBSA-N 0 3 280.368 1.804 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000877057127 681887158 /nfs/dbraw/zinc/88/71/58/681887158.db2.gz VAGUXDOQHXSRND-CQSZACIVSA-N 0 3 278.396 1.759 20 10 CDCDHN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)CN1 ZINC000841955451 681909577 /nfs/dbraw/zinc/90/95/77/681909577.db2.gz CGISXNWXPZZNGF-VXGBXAGGSA-N 0 3 276.384 1.203 20 10 CDCDHN CC(C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000026646214 681979806 /nfs/dbraw/zinc/97/98/06/681979806.db2.gz ZDTRWUGBWCJHDY-UHFFFAOYSA-N 0 3 278.352 1.647 20 10 CDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F ZINC000865712220 682042055 /nfs/dbraw/zinc/04/20/55/682042055.db2.gz YBMXLDKPVOVWLL-UPONEAKYSA-N 0 3 293.241 1.522 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869080 682069279 /nfs/dbraw/zinc/06/92/79/682069279.db2.gz UCWQOMUAXSHDIZ-OAHLLOKOSA-N 0 3 291.395 1.001 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c([O-])c1 ZINC000797605458 682243102 /nfs/dbraw/zinc/24/31/02/682243102.db2.gz RINZMGXWLWVPCV-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c([O-])c1 ZINC000797605458 682243114 /nfs/dbraw/zinc/24/31/14/682243114.db2.gz RINZMGXWLWVPCV-MRXNPFEDSA-N 0 3 292.379 1.749 20 10 CDCDHN Cc1ccc(CNCCS(=O)(=O)CC2CC2)c(O)c1 ZINC000877110427 682252350 /nfs/dbraw/zinc/25/23/50/682252350.db2.gz UXIHFURBWLCKCN-UHFFFAOYSA-N 0 3 283.393 1.615 20 10 CDCDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000866457066 682356832 /nfs/dbraw/zinc/35/68/32/682356832.db2.gz IGWFZZQGTNBAPM-LLVKDONJSA-N 0 3 286.397 1.291 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702636419 682378896 /nfs/dbraw/zinc/37/88/96/682378896.db2.gz MLGNNQPIQRSVOU-ZFWWWQNUSA-N 0 3 264.369 1.500 20 10 CDCDHN Cc1ccc(CN2CCN(C[C@H](C)O)CC2)c(O)c1 ZINC000876686760 682509717 /nfs/dbraw/zinc/50/97/17/682509717.db2.gz ICGJSGNBHVXPHL-ZDUSSCGKSA-N 0 3 264.369 1.199 20 10 CDCDHN CN1CCC(CCO)([NH2+]Cc2ccccc2[O-])CC1 ZINC000779511987 682642406 /nfs/dbraw/zinc/64/24/06/682642406.db2.gz VWFNEUOFQUFYJW-UHFFFAOYSA-N 0 3 264.369 1.329 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCNC2=O)c([O-])c1 ZINC000839197085 682709730 /nfs/dbraw/zinc/70/97/30/682709730.db2.gz ZUAXKADCZAHBEJ-GFCCVEGCSA-N 0 3 278.352 1.407 20 10 CDCDHN O=C1NCCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840826814 682819466 /nfs/dbraw/zinc/81/94/66/682819466.db2.gz WJMULGDGIFOMGZ-RYUDHWBXSA-N 0 3 260.337 1.495 20 10 CDCDHN CCN(CC)C(=O)CNCc1cccc(OC)c1O ZINC000134492681 682829433 /nfs/dbraw/zinc/82/94/33/682829433.db2.gz NAIWLAUDPPFMSN-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CN(C(=O)CNC[C@H]1CCCO1)c1ccc(N)cc1 ZINC000877078733 683074170 /nfs/dbraw/zinc/07/41/70/683074170.db2.gz BWWUAPSCBDJGKC-CYBMUJFWSA-N 0 3 263.341 1.000 20 10 CDCDHN COCCN(CC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000826559721 683372426 /nfs/dbraw/zinc/37/24/26/683372426.db2.gz HWYZQBVMBVTBOG-UHFFFAOYSA-N 0 3 272.370 1.104 20 10 CDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)cc2O)C1 ZINC000877178010 683395818 /nfs/dbraw/zinc/39/58/18/683395818.db2.gz YUDJRRYDLOLECH-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1CCCC1 ZINC000381235464 683402087 /nfs/dbraw/zinc/40/20/87/683402087.db2.gz YTCHNGVHVSFVAS-WCQYABFASA-N 0 3 274.364 1.980 20 10 CDCDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NCC(F)(F)F ZINC000393692338 683546036 /nfs/dbraw/zinc/54/60/36/683546036.db2.gz XUOUPHJULGWKOX-SECBINFHSA-N 0 3 288.269 1.648 20 10 CDCDHN COc1cccc(CNC(C)(C)CS(C)(=O)=O)c1O ZINC000391535608 683583282 /nfs/dbraw/zinc/58/32/82/683583282.db2.gz UHAKTKRMZYJMPC-UHFFFAOYSA-N 0 3 287.381 1.314 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(OCCO)CC2)c([O-])c1 ZINC000876791334 683593356 /nfs/dbraw/zinc/59/33/56/683593356.db2.gz KQIRFSADHILGJH-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN COc1ccc(CNC(=O)CN(C)C2CCC2)c(O)c1 ZINC000863912887 683689888 /nfs/dbraw/zinc/68/98/88/683689888.db2.gz SKADEVKRHZLXGW-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649570 683753016 /nfs/dbraw/zinc/75/30/16/683753016.db2.gz WHIBZYLZOQGGRX-VXGBXAGGSA-N 0 3 253.342 1.830 20 10 CDCDHN CCOc1ccc(CNCc2cnnn2C)c(O)c1 ZINC000808436716 683816699 /nfs/dbraw/zinc/81/66/99/683816699.db2.gz PYCBYURHVPXOQV-UHFFFAOYSA-N 0 3 262.313 1.209 20 10 CDCDHN O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000126870217 683817198 /nfs/dbraw/zinc/81/71/98/683817198.db2.gz HTTJJJZRMRTITE-NSHDSACASA-N 0 3 255.339 1.059 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877002914 683983116 /nfs/dbraw/zinc/98/31/16/683983116.db2.gz GFKVHLDEZSLSLN-ZDUSSCGKSA-N 0 3 272.352 1.705 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C2(C(N)=O)CC2)cc1Cl ZINC000825500762 684046459 /nfs/dbraw/zinc/04/64/59/684046459.db2.gz HPCGNHCFASNRFJ-UHFFFAOYSA-N 0 3 254.717 1.462 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667757 684069212 /nfs/dbraw/zinc/06/92/12/684069212.db2.gz VXRXEFUOLXOOAF-NSHDSACASA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](O)CC1 ZINC000816667757 684069214 /nfs/dbraw/zinc/06/92/14/684069214.db2.gz VXRXEFUOLXOOAF-NSHDSACASA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075365 684085308 /nfs/dbraw/zinc/08/53/08/684085308.db2.gz WYPBBWJKZIGYIW-OCCSQVGLSA-N 0 3 290.363 1.644 20 10 CDCDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NCC(F)(F)F ZINC000393692339 684162697 /nfs/dbraw/zinc/16/26/97/684162697.db2.gz XUOUPHJULGWKOX-VIFPVBQESA-N 0 3 288.269 1.648 20 10 CDCDHN CC(C)C[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000192962923 684256475 /nfs/dbraw/zinc/25/64/75/684256475.db2.gz LDYQDEFTPUUSOG-UHFFFAOYSA-N 0 3 292.379 1.948 20 10 CDCDHN [O-]c1cccc(Br)c1CNC[C@@H]1CC[NH2+]1 ZINC001580888431 1172566286 /nfs/dbraw/zinc/56/62/86/1172566286.db2.gz KYJHKBMWSJRITF-QMMMGPOBSA-N 0 3 271.158 1.606 20 10 CDCDHN NCc1cc(NCCc2cc(O)c(O)cc2O)ccn1 ZINC001168006636 905360987 /nfs/dbraw/zinc/36/09/87/905360987.db2.gz ZJFLAIODOAJAIU-UHFFFAOYSA-N 0 3 275.308 1.312 20 10 CDCDHN [NH3+][C@H]1C[C@H](F)CN(Cc2c([O-])cccc2Cl)C1 ZINC001206422192 916373298 /nfs/dbraw/zinc/37/32/98/916373298.db2.gz CPIZFODHJOMAKD-IUCAKERBSA-N 0 3 258.724 1.917 20 10 CDCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204281866 916641105 /nfs/dbraw/zinc/64/11/05/916641105.db2.gz YHNQSEOCZLZXSK-DRZSPHRISA-N 0 3 291.347 1.871 20 10 CDCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204281866 916641109 /nfs/dbraw/zinc/64/11/09/916641109.db2.gz YHNQSEOCZLZXSK-DRZSPHRISA-N 0 3 291.347 1.871 20 10 CDCDHN COc1cc(CN2CCC[C@@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204341840 917875810 /nfs/dbraw/zinc/87/58/10/917875810.db2.gz HCHRJGNWIIKMMP-CMPLNLGQSA-N 0 3 281.352 1.699 20 10 CDCDHN CN(C)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495579 936542817 /nfs/dbraw/zinc/54/28/17/936542817.db2.gz YUSAONODCCXHJS-UHFFFAOYSA-N 0 3 275.396 1.269 20 10 CDCDHN CN(C)C1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498908 936542840 /nfs/dbraw/zinc/54/28/40/936542840.db2.gz LYCPGXGKAYTNKH-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001140617554 936731065 /nfs/dbraw/zinc/73/10/65/936731065.db2.gz TYQDAOWRRBIFCP-DGCLKSJQSA-N 0 3 253.317 1.853 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(CCCO)CC2)c1 ZINC001140619747 936731791 /nfs/dbraw/zinc/73/17/91/936731791.db2.gz MYRSBPJUKRWGAT-UHFFFAOYSA-N 0 3 264.369 1.201 20 10 CDCDHN Cc1c(O)ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001140744058 936748560 /nfs/dbraw/zinc/74/85/60/936748560.db2.gz KESDVNVIYHYBSY-PWSUYJOCSA-N 0 3 285.290 1.872 20 10 CDCDHN CN1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000702603885 922576238 /nfs/dbraw/zinc/57/62/38/922576238.db2.gz ONAFPZNDDTWMAW-CYBMUJFWSA-N 0 3 270.760 1.202 20 10 CDCDHN Oc1ccc(O)c(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC001141160285 936822491 /nfs/dbraw/zinc/82/24/91/936822491.db2.gz VLYBAVDLCKEESL-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN Cc1ncc(CN(C)Cc2c(O)cc(O)cc2O)cn1 ZINC001144515747 931880863 /nfs/dbraw/zinc/88/08/63/931880863.db2.gz XEWQHEGJWZYSPZ-UHFFFAOYSA-N 0 3 275.308 1.534 20 10 CDCDHN CCC[NH+]1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148589943 932754024 /nfs/dbraw/zinc/75/40/24/932754024.db2.gz RLUZZEHFDFMFOE-UHFFFAOYSA-N 0 3 294.351 1.408 20 10 CDCDHN C[NH+](C)CCN1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276360498 935058563 /nfs/dbraw/zinc/05/85/63/935058563.db2.gz UQAIZTIUHFXJBV-UHFFFAOYSA-N 0 3 293.386 1.353 20 10 CDCDHN CCOC(=O)[C@@H]1CN(Cc2ccccc2O)CCS1 ZINC001203561328 939693204 /nfs/dbraw/zinc/69/32/04/939693204.db2.gz QLSPXQFEHQBMAF-ZDUSSCGKSA-N 0 3 281.377 1.873 20 10 CDCDHN CN(C1CN(Cc2ccccc2O)C1)[C@H]1CCOC1 ZINC001203556590 939693436 /nfs/dbraw/zinc/69/34/36/939693436.db2.gz UXHLDFCNYXLXIJ-ZDUSSCGKSA-N 0 3 262.353 1.297 20 10 CDCDHN C[C@@H]1CCCN(Cc2ccc(O)c(O)c2)[C@H]1CO ZINC001203874631 939710492 /nfs/dbraw/zinc/71/04/92/939710492.db2.gz AUZOIVLAQSKIAR-PWSUYJOCSA-N 0 3 251.326 1.691 20 10 CDCDHN CN(C)c1ccc(CN2CCN(CCCO)CC2)cc1 ZINC001203930614 939714871 /nfs/dbraw/zinc/71/48/71/939714871.db2.gz AWIJGVGICLFINI-UHFFFAOYSA-N 0 3 277.412 1.253 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC001203937892 939715299 /nfs/dbraw/zinc/71/52/99/939715299.db2.gz XQTCWCSEKKJXOT-ZSHCYNCHSA-N 0 3 288.391 1.994 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001204277325 939750734 /nfs/dbraw/zinc/75/07/34/939750734.db2.gz ZMPKXOREMKVUST-NEPJUHHUSA-N 0 3 255.289 1.393 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001204277325 939750735 /nfs/dbraw/zinc/75/07/35/939750735.db2.gz ZMPKXOREMKVUST-NEPJUHHUSA-N 0 3 255.289 1.393 20 10 CDCDHN CCCN(CCOC)Cc1cc(O)c(O)c(OC)c1 ZINC001204340427 939756105 /nfs/dbraw/zinc/75/61/05/939756105.db2.gz QOOSRWUBYNMHKP-UHFFFAOYSA-N 0 3 269.341 1.965 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231851230 943029222 /nfs/dbraw/zinc/02/92/22/943029222.db2.gz ALYJIPGLJGKVNI-CYBMUJFWSA-N 0 3 292.379 1.756 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)cc2O)[C@H](C)C1 ZINC001233487876 943596276 /nfs/dbraw/zinc/59/62/76/943596276.db2.gz VGYQBYDURBPQRI-SNVBAGLBSA-N 0 3 266.341 1.329 20 10 CDCDHN [O-]c1c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235001239 944003977 /nfs/dbraw/zinc/00/39/77/944003977.db2.gz LCAZDNDIIMLTRJ-DOTOQJQBSA-N 0 3 299.370 1.844 20 10 CDCDHN [O-]c1c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235001239 944003987 /nfs/dbraw/zinc/00/39/87/944003987.db2.gz LCAZDNDIIMLTRJ-DOTOQJQBSA-N 0 3 299.370 1.844 20 10 CDCDHN [NH3+][C@]12C[C@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001236031790 944385699 /nfs/dbraw/zinc/38/56/99/944385699.db2.gz XNUYUHQSAIRSIE-UFBFGSQYSA-N 0 3 283.169 1.688 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c([O-])cccc1Cl ZINC001236199592 944429243 /nfs/dbraw/zinc/42/92/43/944429243.db2.gz PLTJKIKOZBMSBE-KCJUWKMLSA-N 0 3 284.743 1.120 20 10 CDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC001237052194 944650667 /nfs/dbraw/zinc/65/06/67/944650667.db2.gz UMROZGLNCIBPKK-SNVBAGLBSA-N 0 3 291.269 1.900 20 10 CDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001237052194 944650672 /nfs/dbraw/zinc/65/06/72/944650672.db2.gz UMROZGLNCIBPKK-SNVBAGLBSA-N 0 3 291.269 1.900 20 10 CDCDHN CC(C)N(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202443 944690964 /nfs/dbraw/zinc/69/09/64/944690964.db2.gz HCRYORSUHXIEAN-UHFFFAOYSA-N 0 3 296.436 1.762 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001237484878 944812190 /nfs/dbraw/zinc/81/21/90/944812190.db2.gz JMOGAZGJGDGJRY-UHFFFAOYSA-N 0 3 290.363 1.182 20 10 CDCDHN CCN1CCN(Cc2cc(OC)cc(OC)c2O)C[C@H]1C ZINC001237677889 944921610 /nfs/dbraw/zinc/92/16/10/944921610.db2.gz RIIJBSAZRRHTRV-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001326560102 954433139 /nfs/dbraw/zinc/43/31/39/954433139.db2.gz CKMGGVHTNYAFDS-CQSZACIVSA-N 0 3 279.380 1.907 20 10 CDCDHN CCOC(=O)c1cc(CNCc2ccccc2O)[nH]n1 ZINC001326614447 954455089 /nfs/dbraw/zinc/45/50/89/954455089.db2.gz OBEXJNZTXORQSZ-UHFFFAOYSA-N 0 3 275.308 1.582 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(CC(N)=O)CC2)c([O-])c1 ZINC001308627065 956556696 /nfs/dbraw/zinc/55/66/96/956556696.db2.gz XTUDZLOGIZEARX-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CC3)C2=O)c1 ZINC001320609733 959273363 /nfs/dbraw/zinc/27/33/63/959273363.db2.gz JXVMIYVTHZZUTC-YGRLFVJLSA-N 0 3 290.363 1.815 20 10 CDCDHN CN(CC(=O)NCc1ccc(N)cc1)CC(C)(C)C ZINC001346210569 964990210 /nfs/dbraw/zinc/99/02/10/964990210.db2.gz VYFLZWBQUBJWCH-UHFFFAOYSA-N 0 3 263.385 1.863 20 10 CDCDHN CC(=O)c1cc(F)cc(CN[C@H](C[NH3+])C(F)(F)F)c1[O-] ZINC001575033585 1171089764 /nfs/dbraw/zinc/08/97/64/1171089764.db2.gz SCQCULJBLKTAGC-SNVBAGLBSA-N 0 3 294.248 1.713 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000295139986 199368380 /nfs/dbraw/zinc/36/83/80/199368380.db2.gz ZKXMSBMNSVWMOW-HNNXBMFYSA-N 0 3 297.326 1.543 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000295139986 199368381 /nfs/dbraw/zinc/36/83/81/199368381.db2.gz ZKXMSBMNSVWMOW-HNNXBMFYSA-N 0 3 297.326 1.543 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H](CC)CO)c1 ZINC000295190914 199396882 /nfs/dbraw/zinc/39/68/82/199396882.db2.gz XGIJDZQOSYFMIF-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H](CC)CO)c1 ZINC000295190914 199396883 /nfs/dbraw/zinc/39/68/83/199396883.db2.gz XGIJDZQOSYFMIF-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CC(F)F ZINC000883104096 684820496 /nfs/dbraw/zinc/82/04/96/684820496.db2.gz OZMNZHQOPLIMLI-MRVPVSSYSA-N 0 3 261.268 1.507 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000036795321 356884550 /nfs/dbraw/zinc/88/45/50/356884550.db2.gz MIRMYGNTVKUYMZ-WDEREUQCSA-N 0 3 250.342 1.876 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(F)ccc1[O-] ZINC000186505733 358801169 /nfs/dbraw/zinc/80/11/69/358801169.db2.gz JWBRNJFWQUBKHG-SECBINFHSA-N 0 3 266.316 1.708 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000134698213 361637351 /nfs/dbraw/zinc/63/73/51/361637351.db2.gz LPFVKXIGVONVGP-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN COc1ccc(O)c(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000271840700 365000489 /nfs/dbraw/zinc/00/04/89/365000489.db2.gz QQGJYHJFCFKVMQ-LLVKDONJSA-N 0 3 279.258 1.804 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1COCCN1)c1cc2c(cc1[O-])CCCC2 ZINC000530221019 368150407 /nfs/dbraw/zinc/15/04/07/368150407.db2.gz BUPCVIMVZIYDAK-WFASDCNBSA-N 0 3 290.407 1.910 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1 ZINC000530228163 368151474 /nfs/dbraw/zinc/15/14/74/368151474.db2.gz YCUHKWLPBQQEPF-NWDGAFQWSA-N 0 3 250.342 1.340 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000285567701 368643151 /nfs/dbraw/zinc/64/31/51/368643151.db2.gz TVCREAWKQALRNU-UHFFFAOYSA-N 0 3 283.393 1.839 20 10 CDCDHN Cc1cc(CN(C)[C@@H]2COC[C@H]2O)ccc1N(C)C ZINC000293528070 378581865 /nfs/dbraw/zinc/58/18/65/378581865.db2.gz JEAQMZGIMYNTJN-HUUCEWRRSA-N 0 3 264.369 1.253 20 10 CDCDHN CCCOc1ccc(C[N@H+](CCO)CCOC)c([O-])c1 ZINC000093006037 390898804 /nfs/dbraw/zinc/89/88/04/390898804.db2.gz ACAIOGCTRKKGPQ-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCCOc1ccc(C[N@@H+](CCO)CCOC)c([O-])c1 ZINC000093006037 390898806 /nfs/dbraw/zinc/89/88/06/390898806.db2.gz ACAIOGCTRKKGPQ-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000093817928 390904906 /nfs/dbraw/zinc/90/49/06/390904906.db2.gz YUBHFKRTUWZELO-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000181564132 391224512 /nfs/dbraw/zinc/22/45/12/391224512.db2.gz WZEFGAWLCPBAGY-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOCCN1CCN(Cc2ccccc2O)CC1 ZINC000179556229 391210790 /nfs/dbraw/zinc/21/07/90/391210790.db2.gz CTZDARHLIVOVDH-UHFFFAOYSA-N 0 3 264.369 1.546 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183502128 391265415 /nfs/dbraw/zinc/26/54/15/391265415.db2.gz ZRRCKCFTMZFBOC-KBPBESRZSA-N 0 3 277.412 1.679 20 10 CDCDHN O=C1NCCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000037363245 173153113 /nfs/dbraw/zinc/15/31/13/173153113.db2.gz VMLJXUCBCVIKFZ-ZDUSSCGKSA-N 0 3 260.337 1.380 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060298 174070919 /nfs/dbraw/zinc/07/09/19/174070919.db2.gz REUJDEVGAMGEQX-JQWIXIFHSA-N 0 3 267.325 1.467 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000036933247 260052967 /nfs/dbraw/zinc/05/29/67/260052967.db2.gz DWJRVQMBGSEXHD-QWHCGFSZSA-N 0 3 264.369 1.764 20 10 CDCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000126494911 260352118 /nfs/dbraw/zinc/35/21/18/260352118.db2.gz IUVGXEUDAGGSPL-YPMHNXCESA-N 0 3 290.363 1.654 20 10 CDCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]21 ZINC000126494911 260352120 /nfs/dbraw/zinc/35/21/20/260352120.db2.gz IUVGXEUDAGGSPL-YPMHNXCESA-N 0 3 290.363 1.654 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000146559694 260959032 /nfs/dbraw/zinc/95/90/32/260959032.db2.gz AYAJVYSQYHJJIM-UHFFFAOYSA-N 0 3 275.396 1.711 20 10 CDCDHN CCOc1cccc(CN[C@]2(CO)CCOC2)c1O ZINC000184190266 262271967 /nfs/dbraw/zinc/27/19/67/262271967.db2.gz AKEZPFXIMGSHQO-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN CC(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000184922040 262300257 /nfs/dbraw/zinc/30/02/57/262300257.db2.gz PGUMQULXHPIIIK-VIFPVBQESA-N 0 3 254.305 1.708 20 10 CDCDHN CCOc1cccc(CN[C@H](C)C(=O)N(C)CC)c1O ZINC000188482922 263960414 /nfs/dbraw/zinc/96/04/14/263960414.db2.gz XVSYMIAAOHTXQO-LLVKDONJSA-N 0 3 280.368 1.747 20 10 CDCDHN CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840957156 687143828 /nfs/dbraw/zinc/14/38/28/687143828.db2.gz GRLIAVFUHKNRRV-JTQLQIEISA-N 0 3 266.316 1.441 20 10 CDCDHN CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840957156 687143831 /nfs/dbraw/zinc/14/38/31/687143831.db2.gz GRLIAVFUHKNRRV-JTQLQIEISA-N 0 3 266.316 1.441 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](n3cncn3)C2)c1O ZINC000372370119 521344999 /nfs/dbraw/zinc/34/49/99/521344999.db2.gz SBJQVGICNYKQAU-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CCOc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193693979 521370968 /nfs/dbraw/zinc/37/09/68/521370968.db2.gz IVGFXLPJLQSBPU-GWCFXTLKSA-N 0 3 278.352 1.405 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000277724813 521652655 /nfs/dbraw/zinc/65/26/55/521652655.db2.gz NYPDWZQAJHKCBZ-UHFFFAOYSA-N 0 3 251.326 1.412 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H]1CCCO1 ZINC000278726647 522364868 /nfs/dbraw/zinc/36/48/68/522364868.db2.gz UAZWACWRSIFOQN-OLZOCXBDSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@@H](NCc1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000278726647 522364874 /nfs/dbraw/zinc/36/48/74/522364874.db2.gz UAZWACWRSIFOQN-OLZOCXBDSA-N 0 3 281.352 1.684 20 10 CDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1ccc(C)cc1[O-] ZINC000280082925 522838577 /nfs/dbraw/zinc/83/85/77/522838577.db2.gz LVPFZEKWQOPVTB-GFCCVEGCSA-N 0 3 286.397 1.291 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000264653338 523866226 /nfs/dbraw/zinc/86/62/26/523866226.db2.gz XLLRRLMRWYETEJ-CYBMUJFWSA-N 0 3 280.368 1.211 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000280468147 524089698 /nfs/dbraw/zinc/08/96/98/524089698.db2.gz YFTWUBJCDDKZAF-INIZCTEOSA-N 0 3 276.380 1.967 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000280468147 524089701 /nfs/dbraw/zinc/08/97/01/524089701.db2.gz YFTWUBJCDDKZAF-INIZCTEOSA-N 0 3 276.380 1.967 20 10 CDCDHN C[C@H]1CCCN(CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237498231 524089875 /nfs/dbraw/zinc/08/98/75/524089875.db2.gz KQANHYSAOIAMRQ-ZDUSSCGKSA-N 0 3 275.396 1.659 20 10 CDCDHN COc1ccc(O)c(CN(C)[C@H](C)CN2CCOCC2)c1 ZINC000279352446 524732823 /nfs/dbraw/zinc/73/28/23/524732823.db2.gz GGXTWTPSHLIQIS-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279352446 524732834 /nfs/dbraw/zinc/73/28/34/524732834.db2.gz GGXTWTPSHLIQIS-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279352446 524732845 /nfs/dbraw/zinc/73/28/45/524732845.db2.gz GGXTWTPSHLIQIS-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000130869961 525340312 /nfs/dbraw/zinc/34/03/12/525340312.db2.gz ITYJSZBQVGCJNQ-APPDUMDISA-N 0 3 255.383 1.899 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280305115 525349946 /nfs/dbraw/zinc/34/99/46/525349946.db2.gz NYXFYEVFMVBJKY-GXTWGEPZSA-N 0 3 265.353 1.435 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278375599 526338517 /nfs/dbraw/zinc/33/85/17/526338517.db2.gz LDUNBEABWGCGJP-IAGOWNOFSA-N 0 3 285.343 1.597 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000732668217 575093498 /nfs/dbraw/zinc/09/34/98/575093498.db2.gz DAIURWIGAXUHIP-CQSZACIVSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450115 575131404 /nfs/dbraw/zinc/13/14/04/575131404.db2.gz IDIXZHZGUNUVQA-CQSZACIVSA-N 0 3 281.352 1.676 20 10 CDCDHN CCOCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450115 575131406 /nfs/dbraw/zinc/13/14/06/575131406.db2.gz IDIXZHZGUNUVQA-CQSZACIVSA-N 0 3 281.352 1.676 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCO2 ZINC000768240332 576266499 /nfs/dbraw/zinc/26/64/99/576266499.db2.gz UENMZZXCLRQJJB-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768447069 576284170 /nfs/dbraw/zinc/28/41/70/576284170.db2.gz QRCNXUNZDWQDFV-WFASDCNBSA-N 0 3 292.379 1.344 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743638985 576648739 /nfs/dbraw/zinc/64/87/39/576648739.db2.gz TXDKJZPSVDYLRB-RKDXNWHRSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743638985 576648740 /nfs/dbraw/zinc/64/87/40/576648740.db2.gz TXDKJZPSVDYLRB-RKDXNWHRSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000743638985 576648741 /nfs/dbraw/zinc/64/87/41/576648741.db2.gz TXDKJZPSVDYLRB-RKDXNWHRSA-N 0 3 254.355 1.666 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccco1)OCO2 ZINC000747097486 576858659 /nfs/dbraw/zinc/85/86/59/576858659.db2.gz FEBXDMUNPWTMMH-LLVKDONJSA-N 0 3 277.276 1.537 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c([O-])c1 ZINC000756492021 576991985 /nfs/dbraw/zinc/99/19/85/576991985.db2.gz YTTZQGOAZDFPDQ-ZDUSSCGKSA-N 0 3 291.395 1.125 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756524603 576993739 /nfs/dbraw/zinc/99/37/39/576993739.db2.gz HOPRLCIFOBKOBH-YWVKMMECSA-N 0 3 278.327 1.900 20 10 CDCDHN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000757658576 577048946 /nfs/dbraw/zinc/04/89/46/577048946.db2.gz HXRAJMWJFPNXNA-HZMBPMFUSA-N 0 3 283.343 1.969 20 10 CDCDHN COc1ccc(C[N@H+](C)C[C@H]2CCOC2)c([O-])c1OC ZINC000892178755 617531371 /nfs/dbraw/zinc/53/13/71/617531371.db2.gz CZHWKWXCLBNONX-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1ccc(C[N@@H+](C)C[C@H]2CCOC2)c([O-])c1OC ZINC000892178755 617531372 /nfs/dbraw/zinc/53/13/72/617531372.db2.gz CZHWKWXCLBNONX-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CN(C)C)CC1 ZINC000935945005 617596422 /nfs/dbraw/zinc/59/64/22/617596422.db2.gz HLZIRSYMOPRNAU-UHFFFAOYSA-N 0 3 297.395 1.836 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000934036035 617883829 /nfs/dbraw/zinc/88/38/29/617883829.db2.gz YBTNZNWFTAOQBR-GDBMZVCRSA-N 0 3 278.396 1.955 20 10 CDCDHN COC(=O)N1CC(C)(NCc2cc(C)cc(OC)c2O)C1 ZINC000894540095 618950476 /nfs/dbraw/zinc/95/04/76/618950476.db2.gz BVXQECZPCWJEBB-UHFFFAOYSA-N 0 3 294.351 1.640 20 10 CDCDHN CCOc1cccc(CN2CCC[C@H](NC(C)=O)C2)c1O ZINC000153862987 631921561 /nfs/dbraw/zinc/92/15/61/631921561.db2.gz IKGJIZDNYBLQJY-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN COc1cccc(CN2CCC[C@@H](NC(C)=O)C2)c1O ZINC000153901251 631939889 /nfs/dbraw/zinc/93/98/89/631939889.db2.gz FMAJZOOIRGCWKN-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCN1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795247 685456399 /nfs/dbraw/zinc/45/63/99/685456399.db2.gz YLTKASHSXLYLAG-GFCCVEGCSA-N 0 3 293.367 1.313 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000793389630 685584922 /nfs/dbraw/zinc/58/49/22/685584922.db2.gz KWGPQQVQIJWTLX-HNNXBMFYSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000793389630 685584938 /nfs/dbraw/zinc/58/49/38/685584938.db2.gz KWGPQQVQIJWTLX-HNNXBMFYSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(O)c1CN1CC(C(C)(C)O)C1 ZINC000839139507 685598582 /nfs/dbraw/zinc/59/85/82/685598582.db2.gz HIJADGHINDIVKG-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CC(C(C)(C)O)C1 ZINC000839139507 685598600 /nfs/dbraw/zinc/59/86/00/685598600.db2.gz HIJADGHINDIVKG-UHFFFAOYSA-N 0 3 251.326 1.604 20 10 CDCDHN NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000237931599 684313404 /nfs/dbraw/zinc/31/34/04/684313404.db2.gz GRIGSCXRNPDICE-UHFFFAOYSA-N 0 3 291.420 1.347 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccn1 ZINC000851840884 684423191 /nfs/dbraw/zinc/42/31/91/684423191.db2.gz KUGLAAWMYLQSCG-HNNXBMFYSA-N 0 3 258.321 1.953 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccn1 ZINC000851840884 684423199 /nfs/dbraw/zinc/42/31/99/684423199.db2.gz KUGLAAWMYLQSCG-HNNXBMFYSA-N 0 3 258.321 1.953 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617130 684490515 /nfs/dbraw/zinc/49/05/15/684490515.db2.gz KTXIUPQKZAYRGY-IUCAKERBSA-N 0 3 254.305 1.707 20 10 CDCDHN Fc1cc(CNC2CSC2)ccc1N1CCOCC1 ZINC000780873777 684519790 /nfs/dbraw/zinc/51/97/90/684519790.db2.gz WRRMZDSIMYBRII-UHFFFAOYSA-N 0 3 282.384 1.867 20 10 CDCDHN CCN(C)c1ccc(CN2CCC(O)(CO)CC2)cc1 ZINC000852500146 684523037 /nfs/dbraw/zinc/52/30/37/684523037.db2.gz IJFBEAJHQVJRPW-UHFFFAOYSA-N 0 3 278.396 1.462 20 10 CDCDHN O=S1(=O)CCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000921862776 684568006 /nfs/dbraw/zinc/56/80/06/684568006.db2.gz NQUPKMNLBZSGPQ-CQSZACIVSA-N 0 3 295.404 1.678 20 10 CDCDHN C[C@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752066 684602941 /nfs/dbraw/zinc/60/29/41/684602941.db2.gz RDTRPYAQZIMGHC-GXFFZTMASA-N 0 3 275.352 1.208 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCO[C@H](C)C2)c([O-])c1 ZINC000877021179 684639807 /nfs/dbraw/zinc/63/98/07/684639807.db2.gz RTIMMUSAUNQONO-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702572712 684709846 /nfs/dbraw/zinc/70/98/46/684709846.db2.gz IKZNFFOATRQMCV-BXUZGUMPSA-N 0 3 250.342 1.109 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000857061808 684764772 /nfs/dbraw/zinc/76/47/72/684764772.db2.gz VWWHBBRYWXVRRV-JQWIXIFHSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000857061808 684764782 /nfs/dbraw/zinc/76/47/82/684764782.db2.gz VWWHBBRYWXVRRV-JQWIXIFHSA-N 0 3 253.317 1.982 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000876780532 684828779 /nfs/dbraw/zinc/82/87/79/684828779.db2.gz HBUHWGCKWXBOSF-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000876780532 684828780 /nfs/dbraw/zinc/82/87/80/684828780.db2.gz HBUHWGCKWXBOSF-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN COCCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649671 684882932 /nfs/dbraw/zinc/88/29/32/684882932.db2.gz SEKKZKSZGIKYGS-LLVKDONJSA-N 0 3 266.341 1.196 20 10 CDCDHN CN1CC[C@](O)(C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816570287 684901018 /nfs/dbraw/zinc/90/10/18/684901018.db2.gz PFZJDKSCRQCEKS-KRWDZBQOSA-N 0 3 286.375 1.702 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980853 684968340 /nfs/dbraw/zinc/96/83/40/684968340.db2.gz FBOPDOODSKXVCE-CMPLNLGQSA-N 0 3 295.339 1.330 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000834886683 685023636 /nfs/dbraw/zinc/02/36/36/685023636.db2.gz FGJJIBBIVMFXRE-ZNMIVQPWSA-N 0 3 288.391 1.832 20 10 CDCDHN COc1cc(Cl)cc(CN[C@H](C)C(N)=O)c1O ZINC000228677221 685040374 /nfs/dbraw/zinc/04/03/74/685040374.db2.gz VIHASKMVFVVQMP-ZCFIWIBFSA-N 0 3 258.705 1.018 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CCS(=O)(=O)CC1 ZINC000779020720 685717754 /nfs/dbraw/zinc/71/77/54/685717754.db2.gz YURGMHHJBIUUCM-LLVKDONJSA-N 0 3 283.393 1.695 20 10 CDCDHN C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC000776008337 685764649 /nfs/dbraw/zinc/76/46/49/685764649.db2.gz QPKKKIBSWHSUTO-MCIONIFRSA-N 0 3 276.380 1.906 20 10 CDCDHN CCOc1ccc(CN[C@@H](C)C(=O)N(C)OC)c(O)c1 ZINC000858319806 685960914 /nfs/dbraw/zinc/96/09/14/685960914.db2.gz HTLXPHFRUMJJHP-JTQLQIEISA-N 0 3 282.340 1.289 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)c([O-])c1 ZINC000858319806 685960917 /nfs/dbraw/zinc/96/09/17/685960917.db2.gz HTLXPHFRUMJJHP-JTQLQIEISA-N 0 3 282.340 1.289 20 10 CDCDHN CNC(=O)C1(NCc2ccc(N(C)C)cc2)CCCC1 ZINC000779176322 686028742 /nfs/dbraw/zinc/02/87/42/686028742.db2.gz KAMULYNTYPGVAT-UHFFFAOYSA-N 0 3 275.396 1.901 20 10 CDCDHN CN(C)C1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000158752268 686358170 /nfs/dbraw/zinc/35/81/70/686358170.db2.gz FXHXOKXIYZJKHM-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([O-])c1 ZINC000835060877 686641619 /nfs/dbraw/zinc/64/16/19/686641619.db2.gz OQUJCOOMKJXQFR-OAHLLOKOSA-N 0 3 278.352 1.549 20 10 CDCDHN COc1cccc(CN2CCSC[C@@H]2CO)c1O ZINC000877779861 686874816 /nfs/dbraw/zinc/87/48/16/686874816.db2.gz GJNQNZIOJXOCCV-NSHDSACASA-N 0 3 269.366 1.311 20 10 CDCDHN COc1ccc(CNC(=O)[C@H](N)CCC(C)C)c(O)c1 ZINC000876910489 686880173 /nfs/dbraw/zinc/88/01/73/686880173.db2.gz DDMCMGOFCYKQFG-CYBMUJFWSA-N 0 3 280.368 1.781 20 10 CDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000776868580 687024162 /nfs/dbraw/zinc/02/41/62/687024162.db2.gz IQXHETLBPIKTFF-DUVNUKRYSA-N 0 3 295.379 1.863 20 10 CDCDHN COC[C@@]1(CN[C@@H](C)c2ccc(F)cc2[O-])CCC[NH2+]1 ZINC000817973028 687036994 /nfs/dbraw/zinc/03/69/94/687036994.db2.gz BAYOTWRREKIORA-NHYWBVRUSA-N 0 3 282.359 1.951 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCC(C)CC1 ZINC000187033424 687166413 /nfs/dbraw/zinc/16/64/13/687166413.db2.gz RRMHZCRSNOEPGM-LBPRGKRZSA-N 0 3 292.379 1.948 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COCC(C)C ZINC000876966591 687327992 /nfs/dbraw/zinc/32/79/92/687327992.db2.gz WZDFLUAZAMJIAE-CYBMUJFWSA-N 0 3 267.369 1.824 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000834897960 687356436 /nfs/dbraw/zinc/35/64/36/687356436.db2.gz XSULCXBUFYLBEX-CKIYVRPFSA-N 0 3 267.300 1.429 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[O-] ZINC000879648303 687361243 /nfs/dbraw/zinc/36/12/43/687361243.db2.gz JFKVURYSWUDBKK-OLZOCXBDSA-N 0 3 295.379 1.599 20 10 CDCDHN Nc1ccc(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000841819790 687446188 /nfs/dbraw/zinc/44/61/88/687446188.db2.gz FUSGUYVMDFMRED-CQSZACIVSA-N 0 3 288.395 1.347 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000322670501 687599126 /nfs/dbraw/zinc/59/91/26/687599126.db2.gz FRFMXVWCRQPXLR-WDEREUQCSA-N 0 3 250.342 1.876 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000778193311 688056954 /nfs/dbraw/zinc/05/69/54/688056954.db2.gz ZKLDBUBTNUZFQI-OLZOCXBDSA-N 0 3 251.326 1.650 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000817280717 688133412 /nfs/dbraw/zinc/13/34/12/688133412.db2.gz KSMODJGVRCKGAK-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922212627 688143798 /nfs/dbraw/zinc/14/37/98/688143798.db2.gz QZLNZHYYJCXZGK-UKRRQHHQSA-N 0 3 263.337 1.515 20 10 CDCDHN Oc1ccc(CNC[C@@H](O)c2ccccc2)cc1O ZINC000035112682 1165642694 /nfs/dbraw/zinc/64/26/94/1165642694.db2.gz PFMVUJFQCSUEOM-OAHLLOKOSA-N 0 3 259.305 1.921 20 10 CDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCC[C@H]1O ZINC001204277310 916572647 /nfs/dbraw/zinc/57/26/47/916572647.db2.gz YPURRBAJSGGWNH-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@H]1O ZINC001204277310 916572657 /nfs/dbraw/zinc/57/26/57/916572657.db2.gz YPURRBAJSGGWNH-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN CC(C)(C)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001203549911 919289281 /nfs/dbraw/zinc/28/92/81/919289281.db2.gz CGORPWJJOCASCF-GFCCVEGCSA-N 0 3 253.342 1.346 20 10 CDCDHN CC(C)(C)[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC001203549911 919289291 /nfs/dbraw/zinc/28/92/91/919289291.db2.gz CGORPWJJOCASCF-GFCCVEGCSA-N 0 3 253.342 1.346 20 10 CDCDHN OCC1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076376 936809716 /nfs/dbraw/zinc/80/97/16/936809716.db2.gz QBDYYNCISOSXMT-UHFFFAOYSA-N 0 3 272.392 1.810 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC001169335029 927958287 /nfs/dbraw/zinc/95/82/87/927958287.db2.gz PIHOCKBRMKRKTD-RISCZKNCSA-N 0 3 295.335 1.298 20 10 CDCDHN CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169586674 928238365 /nfs/dbraw/zinc/23/83/65/928238365.db2.gz JEFGAGVKFNOOQG-LBPRGKRZSA-N 0 3 264.325 1.198 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](F)[C@H](O)C2)c1O ZINC001203602413 939695661 /nfs/dbraw/zinc/69/56/61/939695661.db2.gz VKPXYWGMBILLJB-VXGBXAGGSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001203628562 939697612 /nfs/dbraw/zinc/69/76/12/939697612.db2.gz CQGOGOUGLPYEPI-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001203628562 939697614 /nfs/dbraw/zinc/69/76/14/939697614.db2.gz CQGOGOUGLPYEPI-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN O=C1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204281766 939752018 /nfs/dbraw/zinc/75/20/18/939752018.db2.gz IPKRJFUGHIEQMU-GXFFZTMASA-N 0 3 261.321 1.899 20 10 CDCDHN O=C1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204281766 939752022 /nfs/dbraw/zinc/75/20/22/939752022.db2.gz IPKRJFUGHIEQMU-GXFFZTMASA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1Cl ZINC001206070737 939974729 /nfs/dbraw/zinc/97/47/29/939974729.db2.gz RLYKUVZANSDFGM-LDYMZIIASA-N 0 3 270.760 1.833 20 10 CDCDHN CC(C)N(CCCO)Cc1cc(O)c(O)c(O)c1 ZINC001233014044 943462970 /nfs/dbraw/zinc/46/29/70/943462970.db2.gz XLMPBXUGRPQETG-UHFFFAOYSA-N 0 3 255.314 1.396 20 10 CDCDHN CCc1ccc(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001236789559 944567812 /nfs/dbraw/zinc/56/78/12/944567812.db2.gz YDFDHXSVYJIAIO-UHFFFAOYSA-N 0 3 289.423 1.386 20 10 CDCDHN NC(=O)C1C[NH+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834269 944586727 /nfs/dbraw/zinc/58/67/27/944586727.db2.gz VGQOZBCNBDBZSR-UHFFFAOYSA-N 0 3 256.305 1.463 20 10 CDCDHN Cc1cccc(O)c1CN1CC(N(C)[C@@H]2CCOC2)C1 ZINC001237487685 944813355 /nfs/dbraw/zinc/81/33/55/944813355.db2.gz KSRMEAMOTIKUTH-CYBMUJFWSA-N 0 3 276.380 1.606 20 10 CDCDHN COc1cc(CN2CC([C@H](C)OC)C2)c(O)c(OC)c1 ZINC001237684111 944927266 /nfs/dbraw/zinc/92/72/66/944927266.db2.gz MPISNHLBCFPPQW-JTQLQIEISA-N 0 3 281.352 1.876 20 10 CDCDHN CC(C)(NCc1ccc(N)cc1)C(=O)N1CCCC1 ZINC001262487723 946683819 /nfs/dbraw/zinc/68/38/19/946683819.db2.gz CDSOATBUJWMGDX-UHFFFAOYSA-N 0 3 261.369 1.759 20 10 CDCDHN COC(=O)[C@@H](O)CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001252419959 951246832 /nfs/dbraw/zinc/24/68/32/951246832.db2.gz FTTRMHLKMIUSSQ-HNNXBMFYSA-N 0 3 292.379 1.253 20 10 CDCDHN CCCCOC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001252533256 951417413 /nfs/dbraw/zinc/41/74/13/951417413.db2.gz WHAMNZCKEDPEFP-LBPRGKRZSA-N 0 3 269.341 1.365 20 10 CDCDHN Nc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC001334774470 954268948 /nfs/dbraw/zinc/26/89/48/954268948.db2.gz IVXQWPUEPDUNHC-UONOGXRCSA-N 0 3 259.353 1.512 20 10 CDCDHN CCOc1ccc(N2CCN(CC[C@H](C)O)CC2)cc1 ZINC001347097967 965370505 /nfs/dbraw/zinc/37/05/05/965370505.db2.gz NEVDPICRIMEVJN-AWEZNQCLSA-N 0 3 278.396 1.978 20 10 CDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CCCC[NH2+]1 ZINC001358167278 969703815 /nfs/dbraw/zinc/70/38/15/969703815.db2.gz FVFCELPKKGHHNQ-NSHDSACASA-N 0 3 252.289 1.290 20 10 CDCDHN C[NH2+][C@H](C)CCN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663240 994631683 /nfs/dbraw/zinc/63/16/83/994631683.db2.gz CNVREPLMSIMESN-NXEZZACHSA-N 0 3 266.341 1.739 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000036795005 356253340 /nfs/dbraw/zinc/25/33/40/356253340.db2.gz KFYBGPJZROMKDV-ZJUUUORDSA-N 0 3 266.341 1.576 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCCS(C)(=O)=O)c1 ZINC000037740488 356921262 /nfs/dbraw/zinc/92/12/62/356921262.db2.gz POXKQYJCRRIGHY-VIFPVBQESA-N 0 3 273.354 1.096 20 10 CDCDHN Cc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1[O-] ZINC000179720143 357221563 /nfs/dbraw/zinc/22/15/63/357221563.db2.gz RRKOAEIGVBLTBM-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000296094743 357611387 /nfs/dbraw/zinc/61/13/87/357611387.db2.gz YJCRLPQFSOQEIR-CYBMUJFWSA-N 0 3 278.396 1.808 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188840335 357943232 /nfs/dbraw/zinc/94/32/32/357943232.db2.gz YMUDKHLMSIOQIX-GXTWGEPZSA-N 0 3 279.359 1.411 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc(C)c(C)cc1O ZINC000188894989 357949876 /nfs/dbraw/zinc/94/98/76/357949876.db2.gz UVBRJUOLVFZLDC-LBPRGKRZSA-N 0 3 264.369 1.965 20 10 CDCDHN CN1CCC([N@H+](CCO)Cc2ccccc2[O-])CC1 ZINC000269364337 364185484 /nfs/dbraw/zinc/18/54/84/364185484.db2.gz PZLXULWLYMLGCU-UHFFFAOYSA-N 0 3 264.369 1.281 20 10 CDCDHN CN1CCC([N@@H+](CCO)Cc2ccccc2[O-])CC1 ZINC000269364337 364185488 /nfs/dbraw/zinc/18/54/88/364185488.db2.gz PZLXULWLYMLGCU-UHFFFAOYSA-N 0 3 264.369 1.281 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271105164 364925596 /nfs/dbraw/zinc/92/55/96/364925596.db2.gz REUSEKUPOFKBEC-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271105164 364925600 /nfs/dbraw/zinc/92/56/00/364925600.db2.gz REUSEKUPOFKBEC-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc(O)c(CN[C@H](C)c2cn[nH]c2)cc1OC ZINC000271799901 364998845 /nfs/dbraw/zinc/99/88/45/364998845.db2.gz INXWYIQQDZUZGT-SECBINFHSA-N 0 3 277.324 1.983 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1O ZINC000271907416 365006040 /nfs/dbraw/zinc/00/60/40/365006040.db2.gz LUIQTNJOUVZVPH-ZWNOBZJWSA-N 0 3 281.352 1.612 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@H]1O ZINC000271907416 365006046 /nfs/dbraw/zinc/00/60/46/365006046.db2.gz LUIQTNJOUVZVPH-ZWNOBZJWSA-N 0 3 281.352 1.612 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)CCOC)c1 ZINC000172072809 365465676 /nfs/dbraw/zinc/46/56/76/365465676.db2.gz QCDWIYPHOGMGMS-HNNXBMFYSA-N 0 3 283.368 1.668 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000284235051 368506429 /nfs/dbraw/zinc/50/64/29/368506429.db2.gz VGJHSWXFUYFUIN-RYUDHWBXSA-N 0 3 283.393 1.868 20 10 CDCDHN COc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000284289251 368509410 /nfs/dbraw/zinc/50/94/10/368509410.db2.gz IAAFJMHTLGAMLJ-OLZOCXBDSA-N 0 3 294.395 1.288 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000288570461 369468492 /nfs/dbraw/zinc/46/84/92/369468492.db2.gz MYDKWFCEEPWVCU-CZUORRHYSA-N 0 3 271.316 1.976 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000273579554 371168352 /nfs/dbraw/zinc/16/83/52/371168352.db2.gz MIIBRMUUGMCVBX-NXEZZACHSA-N 0 3 264.325 1.282 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273579554 371168355 /nfs/dbraw/zinc/16/83/55/371168355.db2.gz MIIBRMUUGMCVBX-NXEZZACHSA-N 0 3 264.325 1.282 20 10 CDCDHN CCN(CCC[NH+](C)C)C(=O)c1cccc(O)c1[O-] ZINC000276211845 371206980 /nfs/dbraw/zinc/20/69/80/371206980.db2.gz LIUSGWCUZKRDSR-UHFFFAOYSA-N 0 3 266.341 1.512 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296243943 371419884 /nfs/dbraw/zinc/41/98/84/371419884.db2.gz AXIHOWWINNCHOU-ZYHUDNBSSA-N 0 3 262.353 1.836 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000295801136 371396444 /nfs/dbraw/zinc/39/64/44/371396444.db2.gz AHAKXXPGRWZQEP-LLVKDONJSA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCCF ZINC000296246971 371676421 /nfs/dbraw/zinc/67/64/21/371676421.db2.gz BAPSIAWLFKZQKX-KOLCDFICSA-N 0 3 266.316 1.443 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1OC ZINC000293978531 378607393 /nfs/dbraw/zinc/60/73/93/378607393.db2.gz RCUKIZCSSKZSHK-NEPJUHHUSA-N 0 3 297.351 1.039 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)CC2 ZINC000296733223 378745334 /nfs/dbraw/zinc/74/53/34/378745334.db2.gz JBRGYAPUJQYNIO-DZGCQCFKSA-N 0 3 277.364 1.757 20 10 CDCDHN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000125561871 391260583 /nfs/dbraw/zinc/26/05/83/391260583.db2.gz KNYOMDZVZUDCGJ-UGZDLDLSSA-N 0 3 285.365 1.368 20 10 CDCDHN CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179526213 391209685 /nfs/dbraw/zinc/20/96/85/391209685.db2.gz FJIJGIQNQDZEAB-GFCCVEGCSA-N 0 3 292.379 1.820 20 10 CDCDHN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179526213 391209687 /nfs/dbraw/zinc/20/96/87/391209687.db2.gz FJIJGIQNQDZEAB-GFCCVEGCSA-N 0 3 292.379 1.820 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183838828 391271975 /nfs/dbraw/zinc/27/19/75/391271975.db2.gz AYPQVOFHKQXSEL-SNVBAGLBSA-N 0 3 250.342 1.815 20 10 CDCDHN COc1cc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000195008133 391374357 /nfs/dbraw/zinc/37/43/57/391374357.db2.gz FLIXLCBREGRFPI-XPTSAGLGSA-N 0 3 294.351 1.024 20 10 CDCDHN COc1ccc(O)c(CN[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000135761157 393311300 /nfs/dbraw/zinc/31/13/00/393311300.db2.gz LLDBVFLQSDQUOB-SNVBAGLBSA-N 0 3 280.368 1.794 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060814 174071388 /nfs/dbraw/zinc/07/13/88/174071388.db2.gz XVFDLGQVYUCQPD-NEPJUHHUSA-N 0 3 251.326 1.767 20 10 CDCDHN CCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000038098284 174113193 /nfs/dbraw/zinc/11/31/93/174113193.db2.gz MDWKKQKNVMDQSV-UHFFFAOYSA-N 0 3 261.369 1.412 20 10 CDCDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187007457 262120990 /nfs/dbraw/zinc/12/09/90/262120990.db2.gz MKSDDYYFISOLJJ-NWDGAFQWSA-N 0 3 292.379 1.948 20 10 CDCDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(O)c1[O-] ZINC000187007457 262120992 /nfs/dbraw/zinc/12/09/92/262120992.db2.gz MKSDDYYFISOLJJ-NWDGAFQWSA-N 0 3 292.379 1.948 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cccc(OC)c1O ZINC000188496451 264006830 /nfs/dbraw/zinc/00/68/30/264006830.db2.gz GWHCBKPIHGQPBT-SNVBAGLBSA-N 0 3 266.341 1.357 20 10 CDCDHN COc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000369828614 267270815 /nfs/dbraw/zinc/27/08/15/267270815.db2.gz BJLOHLULQUXQKI-LBPRGKRZSA-N 0 3 273.336 1.771 20 10 CDCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000273606828 334767980 /nfs/dbraw/zinc/76/79/80/334767980.db2.gz UMKOVPLNSHFPLL-LLVKDONJSA-N 0 3 282.359 1.639 20 10 CDCDHN CCOc1ccc(O)c(CNCC(=O)NC2CC2)c1 ZINC000263702117 521153001 /nfs/dbraw/zinc/15/30/01/521153001.db2.gz RKNHKYHNBJFEEN-UHFFFAOYSA-N 0 3 264.325 1.159 20 10 CDCDHN CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186806689 520175704 /nfs/dbraw/zinc/17/57/04/520175704.db2.gz ZBMQOGNLMHEKQD-NSHDSACASA-N 0 3 250.342 1.830 20 10 CDCDHN CCS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC000289445697 521669023 /nfs/dbraw/zinc/66/90/23/521669023.db2.gz MMBMSQHLXNXXIF-UHFFFAOYSA-N 0 3 298.408 1.296 20 10 CDCDHN COC[C@H](CO)N[C@H](C)c1cc(OC)ccc1O ZINC000234838057 522688453 /nfs/dbraw/zinc/68/84/53/522688453.db2.gz SBQGNBPUBUKLFP-ZJUUUORDSA-N 0 3 255.314 1.059 20 10 CDCDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000234838057 522688460 /nfs/dbraw/zinc/68/84/60/522688460.db2.gz SBQGNBPUBUKLFP-ZJUUUORDSA-N 0 3 255.314 1.059 20 10 CDCDHN C[NH+]1CCC(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000187573518 523760028 /nfs/dbraw/zinc/76/00/28/523760028.db2.gz GCTLWQOUVVCIKR-UHFFFAOYSA-N 0 3 278.352 1.560 20 10 CDCDHN COCCOCCOCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000276131644 524012468 /nfs/dbraw/zinc/01/24/68/524012468.db2.gz CPWCVBNNXDCURQ-UHFFFAOYSA-N 0 3 297.395 1.812 20 10 CDCDHN COCCOCCOCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000276131644 524012472 /nfs/dbraw/zinc/01/24/72/524012472.db2.gz CPWCVBNNXDCURQ-UHFFFAOYSA-N 0 3 297.395 1.812 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273345866 524762232 /nfs/dbraw/zinc/76/22/32/524762232.db2.gz ASRWQOFVKKZRRN-BDJLRTHQSA-N 0 3 295.379 1.839 20 10 CDCDHN CS[C@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000128174916 525885375 /nfs/dbraw/zinc/88/53/75/525885375.db2.gz LVSBGMSEPBNFAM-MRVPVSSYSA-N 0 3 255.339 1.962 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000125567408 526028961 /nfs/dbraw/zinc/02/89/61/526028961.db2.gz BWWNHYUNIYSYAO-XTZNXHDOSA-N 0 3 271.382 1.648 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CC=CCC1 ZINC000279764216 526348119 /nfs/dbraw/zinc/34/81/19/526348119.db2.gz JLSJQJFBRSLELV-UHFFFAOYSA-N 0 3 250.317 1.883 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2ccn(C)n2)cc1 ZINC000761221053 574982912 /nfs/dbraw/zinc/98/29/12/574982912.db2.gz APDUWRHGSBHWDM-UHFFFAOYSA-N 0 3 288.395 1.997 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1OC ZINC000765794529 576056182 /nfs/dbraw/zinc/05/61/82/576056182.db2.gz DBYUWEQVNRPQIZ-JQWIXIFHSA-N 0 3 278.352 1.405 20 10 CDCDHN CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768453622 576285968 /nfs/dbraw/zinc/28/59/68/576285968.db2.gz ZYZZBCKGXMANEI-RISCZKNCSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768453622 576285970 /nfs/dbraw/zinc/28/59/70/576285970.db2.gz ZYZZBCKGXMANEI-RISCZKNCSA-N 0 3 279.336 1.429 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000768460728 576286340 /nfs/dbraw/zinc/28/63/40/576286340.db2.gz OIDXKAVRAQXASQ-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000768460728 576286342 /nfs/dbraw/zinc/28/63/42/576286342.db2.gz OIDXKAVRAQXASQ-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1ccc(CN(C)[C@H]2CCCCNC2=O)c(O)c1 ZINC000769202548 576337212 /nfs/dbraw/zinc/33/72/12/576337212.db2.gz WJSHDBUPMCGHTJ-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN COc1cccc(O)c1CNC[C@](C)(O)C(F)(F)F ZINC000760452625 576485455 /nfs/dbraw/zinc/48/54/55/576485455.db2.gz ZLIYDLUUKVYVAJ-NSHDSACASA-N 0 3 279.258 1.804 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2cc[nH]n2)cc1 ZINC000761223358 576561264 /nfs/dbraw/zinc/56/12/64/576561264.db2.gz PSAAYSBWMYAGFO-UHFFFAOYSA-N 0 3 274.368 1.987 20 10 CDCDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000745790132 576742792 /nfs/dbraw/zinc/74/27/92/576742792.db2.gz UYNJCPAPGPFXAR-CYBMUJFWSA-N 0 3 277.368 1.676 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(F)ccc1[O-] ZINC000756537401 576994255 /nfs/dbraw/zinc/99/42/55/576994255.db2.gz YPZIZDFMQYYFHA-VXGBXAGGSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c([O-])c1O ZINC000751537842 577049476 /nfs/dbraw/zinc/04/94/76/577049476.db2.gz JTRXBZJFQMYESR-LBPRGKRZSA-N 0 3 290.363 1.620 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c([O-])c1O ZINC000751537842 577049478 /nfs/dbraw/zinc/04/94/78/577049478.db2.gz JTRXBZJFQMYESR-LBPRGKRZSA-N 0 3 290.363 1.620 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1 ZINC000841851572 618354205 /nfs/dbraw/zinc/35/42/05/618354205.db2.gz MRJHBJIVPVIBSG-CQSZACIVSA-N 0 3 261.369 1.268 20 10 CDCDHN CN(CCCC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000828268006 693941924 /nfs/dbraw/zinc/94/19/24/693941924.db2.gz BEENFLOJQXISJW-UHFFFAOYSA-N 0 3 256.371 1.868 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876617248 693958528 /nfs/dbraw/zinc/95/85/28/693958528.db2.gz IGDZRQZYQACRKB-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876617248 693958536 /nfs/dbraw/zinc/95/85/36/693958536.db2.gz IGDZRQZYQACRKB-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000840963482 693960665 /nfs/dbraw/zinc/96/06/65/693960665.db2.gz OEDCFEPFQHZCAI-MFKMUULPSA-N 0 3 269.316 1.408 20 10 CDCDHN COCCNC(=O)C1(N[C@H]2CCc3cccc(O)c32)CC1 ZINC000840825121 694075138 /nfs/dbraw/zinc/07/51/38/694075138.db2.gz SNHOATGMIIPBGR-LBPRGKRZSA-N 0 3 290.363 1.264 20 10 CDCDHN Nc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000877347771 694136176 /nfs/dbraw/zinc/13/61/76/694136176.db2.gz QOYQIQDSUSVGCF-KRWDZBQOSA-N 0 3 295.386 1.642 20 10 CDCDHN COCCC[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877462332 688227993 /nfs/dbraw/zinc/22/79/93/688227993.db2.gz ROWFVZQBSZBMCG-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877462332 688227999 /nfs/dbraw/zinc/22/79/99/688227999.db2.gz ROWFVZQBSZBMCG-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787424207 688352035 /nfs/dbraw/zinc/35/20/35/688352035.db2.gz POVVDFWCYQWMTK-ZIBATOQPSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787424207 688352041 /nfs/dbraw/zinc/35/20/41/688352041.db2.gz POVVDFWCYQWMTK-ZIBATOQPSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787424207 688352047 /nfs/dbraw/zinc/35/20/47/688352047.db2.gz POVVDFWCYQWMTK-ZIBATOQPSA-N 0 3 290.363 1.487 20 10 CDCDHN Cn1ccnc1N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000827885122 688426604 /nfs/dbraw/zinc/42/66/04/688426604.db2.gz QXVBUDTWHMWDHH-UHFFFAOYSA-N 0 3 290.342 1.587 20 10 CDCDHN CN(C)c1ccc(CN2CCC(O)(CO)CC2)cc1 ZINC000852500125 688486725 /nfs/dbraw/zinc/48/67/25/688486725.db2.gz HYFNUZBSFCVLQU-UHFFFAOYSA-N 0 3 264.369 1.072 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000866421222 688805463 /nfs/dbraw/zinc/80/54/63/688805463.db2.gz XSULCXBUFYLBEX-UYAIAHHASA-N 0 3 267.300 1.429 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929973204 688815193 /nfs/dbraw/zinc/81/51/93/688815193.db2.gz YBWUEGKAIHMRKU-JGGQBBKZSA-N 0 3 295.379 1.115 20 10 CDCDHN C[C@H](O)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929973204 688815196 /nfs/dbraw/zinc/81/51/96/688815196.db2.gz YBWUEGKAIHMRKU-JGGQBBKZSA-N 0 3 295.379 1.115 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)CS(C)(=O)=O ZINC000775396434 688873252 /nfs/dbraw/zinc/87/32/52/688873252.db2.gz WQYSDNWCEADKQI-LBPRGKRZSA-N 0 3 284.425 1.584 20 10 CDCDHN COc1ccc(O)c(CN2CCCC[C@@H]2CNC(C)=O)c1 ZINC000877676281 692206986 /nfs/dbraw/zinc/20/69/86/692206986.db2.gz ZTRRYHHHBXCHPH-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN Cc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876541956 692388859 /nfs/dbraw/zinc/38/88/59/692388859.db2.gz NJJFGPFXMSPFFP-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000788536530 692608621 /nfs/dbraw/zinc/60/86/21/692608621.db2.gz PUEFYAHZRJNOHT-IINYFYTJSA-N 0 3 267.325 1.030 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000877532398 692774600 /nfs/dbraw/zinc/77/46/00/692774600.db2.gz FRCZTOAOKAQKRH-LBPRGKRZSA-N 0 3 283.393 1.615 20 10 CDCDHN CCOc1ccc(C[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000815144644 692834118 /nfs/dbraw/zinc/83/41/18/692834118.db2.gz MQYUOFPIDXJSEO-UHFFFAOYSA-N 0 3 290.367 1.642 20 10 CDCDHN CCC[N@H+](CC[S@@](C)=O)Cc1ccccc1[O-] ZINC000827938812 692895252 /nfs/dbraw/zinc/89/52/52/692895252.db2.gz SZWICXARWFZZMK-QGZVFWFLSA-N 0 3 255.383 1.983 20 10 CDCDHN CCC[N@@H+](CC[S@@](C)=O)Cc1ccccc1[O-] ZINC000827938812 692895253 /nfs/dbraw/zinc/89/52/53/692895253.db2.gz SZWICXARWFZZMK-QGZVFWFLSA-N 0 3 255.383 1.983 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000877082566 694562857 /nfs/dbraw/zinc/56/28/57/694562857.db2.gz YBPNKLQEKPYMGY-UHFFFAOYSA-N 0 3 283.393 1.615 20 10 CDCDHN O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000069141949 692943454 /nfs/dbraw/zinc/94/34/54/692943454.db2.gz YHUKLQCKSXWIEZ-NSHDSACASA-N 0 3 255.339 1.059 20 10 CDCDHN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846213827 693163941 /nfs/dbraw/zinc/16/39/41/693163941.db2.gz KTRVIHCSPHPOCK-IUODEOHRSA-N 0 3 265.353 1.974 20 10 CDCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)N(C)OC)c1O ZINC000858580094 693275231 /nfs/dbraw/zinc/27/52/31/693275231.db2.gz KHRXAUDGMDJSGW-UWVGGRQHSA-N 0 3 282.340 1.460 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1[O-] ZINC000841765273 693340718 /nfs/dbraw/zinc/34/07/18/693340718.db2.gz WYTLMGVPBKQZRF-ONGXEEELSA-N 0 3 272.776 1.619 20 10 CDCDHN Oc1ccccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827119122 693393139 /nfs/dbraw/zinc/39/31/39/693393139.db2.gz IJMCOAAIANOLKE-CQSZACIVSA-N 0 3 262.353 1.299 20 10 CDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883090042 694687885 /nfs/dbraw/zinc/68/78/85/694687885.db2.gz AUQFGMRGEUIQMN-PGLGOXFNSA-N 0 3 251.326 1.818 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876798689 693436714 /nfs/dbraw/zinc/43/67/14/693436714.db2.gz LLBBFIHRRNYQOM-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876798689 693436724 /nfs/dbraw/zinc/43/67/24/693436724.db2.gz LLBBFIHRRNYQOM-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC)C2)c([O-])c1 ZINC000824887366 693478161 /nfs/dbraw/zinc/47/81/61/693478161.db2.gz VDROGZVMNZFZSF-LBPRGKRZSA-N 0 3 278.352 1.501 20 10 CDCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000183614272 694754021 /nfs/dbraw/zinc/75/40/21/694754021.db2.gz AEZPWROXGRCVSV-QWRGUYRKSA-N 0 3 260.337 1.806 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000322527530 694815778 /nfs/dbraw/zinc/81/57/78/694815778.db2.gz OJCOQAGTHPIMIP-IUCAKERBSA-N 0 3 254.305 1.707 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000093641326 694612585 /nfs/dbraw/zinc/61/25/85/694612585.db2.gz QZRZCHGZEFLGRU-HOTGVXAUSA-N 0 3 275.396 1.267 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c([O-])c1 ZINC000858602427 694691690 /nfs/dbraw/zinc/69/16/90/694691690.db2.gz ZBQVFSRYWWYXPX-STQMWFEESA-N 0 3 264.369 1.418 20 10 CDCDHN C[C@H]([NH2+]CCN)c1ccc(Br)cc1[O-] ZINC000817934966 694877014 /nfs/dbraw/zinc/87/70/14/694877014.db2.gz ROVMBJSGZXZTPV-ZETCQYMHSA-N 0 3 259.147 1.764 20 10 CDCDHN C[C@H]1CN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000834567218 694886221 /nfs/dbraw/zinc/88/62/21/694886221.db2.gz ZTCFWUZVSKIQEC-JSGCOSHPSA-N 0 3 276.380 1.690 20 10 CDCDHN COc1cccc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000392360463 695092360 /nfs/dbraw/zinc/09/23/60/695092360.db2.gz ASOOXSOJDJPLHY-QMMMGPOBSA-N 0 3 262.313 1.678 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN(C)CC(F)F ZINC000858336699 695110096 /nfs/dbraw/zinc/11/00/96/695110096.db2.gz PUQIBYKYCJFXOD-UHFFFAOYSA-N 0 3 274.311 1.687 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001170520712 1162743675 /nfs/dbraw/zinc/74/36/75/1162743675.db2.gz VCHLXPBEUXIEAW-MWLCHTKSSA-N 0 3 265.309 1.529 20 10 CDCDHN Cc1ccc(O)c(CNCC(=O)NCC(C)C)c1 ZINC000134653855 1175820210 /nfs/dbraw/zinc/82/02/10/1175820210.db2.gz NRSCEYDNBKHTIH-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000834902510 723358146 /nfs/dbraw/zinc/35/81/46/723358146.db2.gz BWMXWULGXGXYQZ-MPKXVKKWSA-N 0 3 251.326 1.847 20 10 CDCDHN CCn1cccc(C[NH2+]Cc2ccccc2[O-])c1=O ZINC000788524751 723362407 /nfs/dbraw/zinc/36/24/07/723362407.db2.gz SXWNRMMMQBKXJU-UHFFFAOYSA-N 0 3 258.321 1.864 20 10 CDCDHN CCS(=O)(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000390313131 723628906 /nfs/dbraw/zinc/62/89/06/723628906.db2.gz CZDWLBUKYABFPC-LBPRGKRZSA-N 0 3 299.440 1.343 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCOC[C@@H]1C ZINC000877150067 723667741 /nfs/dbraw/zinc/66/77/41/723667741.db2.gz LJBLJHXGAFNSNN-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000799347937 723144699 /nfs/dbraw/zinc/14/46/99/723144699.db2.gz SLHAOQYWFPRMDX-QMTHXVAHSA-N 0 3 278.352 1.405 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC1(C)OCCO1 ZINC000840937499 723349613 /nfs/dbraw/zinc/34/96/13/723349613.db2.gz VGEHAEJXJQSODI-UHFFFAOYSA-N 0 3 264.369 1.914 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000069140885 723579806 /nfs/dbraw/zinc/57/98/06/723579806.db2.gz JHFXXYDQZDFIBY-LLVKDONJSA-N 0 3 285.365 1.068 20 10 CDCDHN CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126367860 723583865 /nfs/dbraw/zinc/58/38/65/723583865.db2.gz AJDWQDXNUWGJQY-SNVBAGLBSA-N 0 3 266.341 1.558 20 10 CDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877048647 1165965271 /nfs/dbraw/zinc/96/52/71/1165965271.db2.gz NRAZQAPSEHQUMZ-GWCFXTLKSA-N 0 3 255.383 1.903 20 10 CDCDHN COCCC[N@H+](CCO)Cc1c(C)cccc1[O-] ZINC000877462732 1166040533 /nfs/dbraw/zinc/04/05/33/1166040533.db2.gz UJGSIFAKINOMEK-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1c(C)cccc1[O-] ZINC000877462732 1166040537 /nfs/dbraw/zinc/04/05/37/1166040537.db2.gz UJGSIFAKINOMEK-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COC[C@@H]1CN(Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000877465166 1166043197 /nfs/dbraw/zinc/04/31/97/1166043197.db2.gz VNKFYHCCZPIJHV-STQMWFEESA-N 0 3 265.353 1.936 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c([O-])c1 ZINC001272626432 914209756 /nfs/dbraw/zinc/20/97/56/914209756.db2.gz XAHQWTNIHXSISD-MRXNPFEDSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c([O-])c1 ZINC001272626432 914209780 /nfs/dbraw/zinc/20/97/80/914209780.db2.gz XAHQWTNIHXSISD-MRXNPFEDSA-N 0 3 290.363 1.598 20 10 CDCDHN CS(=O)(=O)CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000692838635 900604644 /nfs/dbraw/zinc/60/46/44/900604644.db2.gz KNSBEDRLVAHVIA-LBPRGKRZSA-N 0 3 283.393 1.794 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236284181 914853792 /nfs/dbraw/zinc/85/37/92/914853792.db2.gz BAUHWZQBTLGMNL-KOLCDFICSA-N 0 3 268.744 1.458 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000827141809 936493185 /nfs/dbraw/zinc/49/31/85/936493185.db2.gz YCSDTELEKDGMIF-YPMHNXCESA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000827141809 936493188 /nfs/dbraw/zinc/49/31/88/936493188.db2.gz YCSDTELEKDGMIF-YPMHNXCESA-N 0 3 290.363 1.501 20 10 CDCDHN CN1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354045 936525150 /nfs/dbraw/zinc/52/51/50/936525150.db2.gz RWJKCTOQBMBNTJ-UHFFFAOYSA-N 0 3 259.397 1.816 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140056467 936675120 /nfs/dbraw/zinc/67/51/20/936675120.db2.gz YDHZHIGWLZPAKR-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140056467 936675123 /nfs/dbraw/zinc/67/51/23/936675123.db2.gz YDHZHIGWLZPAKR-CYBMUJFWSA-N 0 3 289.310 1.975 20 10 CDCDHN O=C1NCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140058820 936675283 /nfs/dbraw/zinc/67/52/83/936675283.db2.gz MXKCPXHTVLFGQP-JOYOIKCWSA-N 0 3 264.300 1.099 20 10 CDCDHN O=C1NCC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140058820 936675284 /nfs/dbraw/zinc/67/52/84/936675284.db2.gz MXKCPXHTVLFGQP-JOYOIKCWSA-N 0 3 264.300 1.099 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000834851299 936709127 /nfs/dbraw/zinc/70/91/27/936709127.db2.gz WPRVBAMOLFVRGZ-ZIAGYGMSSA-N 0 3 278.396 1.890 20 10 CDCDHN Cc1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001140948194 936782187 /nfs/dbraw/zinc/78/21/87/936782187.db2.gz XTGAUSOPMGUBMW-UHFFFAOYSA-N 0 3 264.369 1.201 20 10 CDCDHN CCOc1ccc(C[NH+]2CC(C(C)(C)O)C2)c([O-])c1 ZINC000839140112 936906273 /nfs/dbraw/zinc/90/62/73/936906273.db2.gz NVKHYAXDVKIVFJ-UHFFFAOYSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1CO ZINC000857061806 928657704 /nfs/dbraw/zinc/65/77/04/928657704.db2.gz VWWHBBRYWXVRRV-CMPLNLGQSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1CO ZINC000857061806 928657713 /nfs/dbraw/zinc/65/77/13/928657713.db2.gz VWWHBBRYWXVRRV-CMPLNLGQSA-N 0 3 253.317 1.982 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@@H](NC(C)=O)C1 ZINC000817412385 930529550 /nfs/dbraw/zinc/52/95/50/930529550.db2.gz JVRXBLKQAUBCKW-LLVKDONJSA-N 0 3 264.325 1.111 20 10 CDCDHN CC[NH2+]CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817942645 930640282 /nfs/dbraw/zinc/64/02/82/930640282.db2.gz BUHCPHWBGUBNSV-JTQLQIEISA-N 0 3 267.329 1.951 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@H](C)CCO ZINC000824515024 931451902 /nfs/dbraw/zinc/45/19/02/931451902.db2.gz CTMJCXIAHLFXJT-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN CN(Cc1cncs1)Cc1c(O)cc(O)cc1O ZINC001144515314 931878693 /nfs/dbraw/zinc/87/86/93/931878693.db2.gz JPSSWKLMXJIODR-UHFFFAOYSA-N 0 3 266.322 1.892 20 10 CDCDHN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000846053492 931966400 /nfs/dbraw/zinc/96/64/00/931966400.db2.gz UUKTWHHKXZIBGK-VXGBXAGGSA-N 0 3 255.289 1.113 20 10 CDCDHN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000846053492 931966401 /nfs/dbraw/zinc/96/64/01/931966401.db2.gz UUKTWHHKXZIBGK-VXGBXAGGSA-N 0 3 255.289 1.113 20 10 CDCDHN CN1CCO[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001275775312 932018590 /nfs/dbraw/zinc/01/85/90/932018590.db2.gz YXZUDJVZPKFQFI-JSGCOSHPSA-N 0 3 284.306 1.185 20 10 CDCDHN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000796498615 935309029 /nfs/dbraw/zinc/30/90/29/935309029.db2.gz XWIVZEYYGGCKNL-MNOVXSKESA-N 0 3 279.336 1.883 20 10 CDCDHN C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664473 939700571 /nfs/dbraw/zinc/70/05/71/939700571.db2.gz GLGNFCADBUZOTN-CYBMUJFWSA-N 0 3 284.787 1.808 20 10 CDCDHN COC(=O)CCN(Cc1ccc(O)c(O)c1)C1CC1 ZINC001203879812 939711024 /nfs/dbraw/zinc/71/10/24/939711024.db2.gz FOZKESBYSIZMND-UHFFFAOYSA-N 0 3 265.309 1.625 20 10 CDCDHN CC(C)(O)CCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881183 939711471 /nfs/dbraw/zinc/71/14/71/939711471.db2.gz MRXSRWFYOXFJLW-UHFFFAOYSA-N 0 3 294.395 1.376 20 10 CDCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204275583 939749803 /nfs/dbraw/zinc/74/98/03/939749803.db2.gz WNLTXNTVKCMKAJ-GFCCVEGCSA-N 0 3 264.325 1.198 20 10 CDCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278864 939751644 /nfs/dbraw/zinc/75/16/44/939751644.db2.gz KYCRRJZMJKDWHX-OAHLLOKOSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278864 939751647 /nfs/dbraw/zinc/75/16/47/939751647.db2.gz KYCRRJZMJKDWHX-OAHLLOKOSA-N 0 3 279.336 1.873 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204281428 939752296 /nfs/dbraw/zinc/75/22/96/939752296.db2.gz FEUIHFHSYJEBHI-BXUZGUMPSA-N 0 3 290.363 1.541 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204281428 939752298 /nfs/dbraw/zinc/75/22/98/939752298.db2.gz FEUIHFHSYJEBHI-BXUZGUMPSA-N 0 3 290.363 1.541 20 10 CDCDHN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C[NH3+] ZINC001205146095 939828117 /nfs/dbraw/zinc/82/81/17/939828117.db2.gz OBERFIJMUMVVFA-JOYOIKCWSA-N 0 3 264.325 1.117 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C[NH3+] ZINC001205146095 939828119 /nfs/dbraw/zinc/82/81/19/939828119.db2.gz OBERFIJMUMVVFA-JOYOIKCWSA-N 0 3 264.325 1.117 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205636133 939910960 /nfs/dbraw/zinc/91/09/60/939910960.db2.gz CNFOLDORPONQJZ-DGCLKSJQSA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205636133 939910961 /nfs/dbraw/zinc/91/09/61/939910961.db2.gz CNFOLDORPONQJZ-DGCLKSJQSA-N 0 3 292.379 1.897 20 10 CDCDHN [O-]c1cc(Cl)ccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502276 941604124 /nfs/dbraw/zinc/60/41/24/941604124.db2.gz IDCQFEMGGPJUJV-KBPBESRZSA-N 0 3 295.814 1.571 20 10 CDCDHN CCN1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231849066 943028770 /nfs/dbraw/zinc/02/87/70/943028770.db2.gz NDAZTVOHYLUVSI-UHFFFAOYSA-N 0 3 277.412 1.899 20 10 CDCDHN CN(C)c1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001232838755 943415660 /nfs/dbraw/zinc/41/56/60/943415660.db2.gz IQOGLLWBEKFBIS-UHFFFAOYSA-N 0 3 278.352 1.407 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@H]3CCCO[C@H]3C2)cc1O ZINC001233482769 943591024 /nfs/dbraw/zinc/59/10/24/943591024.db2.gz BLLBUZSCGYUSJZ-BMIGLBTASA-N 0 3 279.336 1.804 20 10 CDCDHN [O-]c1c(CN2C[C@@H]3C[NH2+]C[C@H]32)ccc2ccccc21 ZINC001236288834 944447847 /nfs/dbraw/zinc/44/78/47/944447847.db2.gz JCDYEMOEMOPJRJ-DZGCQCFKSA-N 0 3 254.333 1.949 20 10 CDCDHN CNC(=O)CC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236814144 944578330 /nfs/dbraw/zinc/57/83/30/944578330.db2.gz PLSGPKJVQHLEGN-UHFFFAOYSA-N 0 3 266.341 1.277 20 10 CDCDHN CNC(=O)CC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236814144 944578338 /nfs/dbraw/zinc/57/83/38/944578338.db2.gz PLSGPKJVQHLEGN-UHFFFAOYSA-N 0 3 266.341 1.277 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237045907 944645897 /nfs/dbraw/zinc/64/58/97/944645897.db2.gz MWMOHEYTTLXGLQ-CABCVRRESA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237045907 944645902 /nfs/dbraw/zinc/64/59/02/944645902.db2.gz MWMOHEYTTLXGLQ-CABCVRRESA-N 0 3 279.380 1.691 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001237487655 944814371 /nfs/dbraw/zinc/81/43/71/944814371.db2.gz CWCKZRLSQUHICC-YPMHNXCESA-N 0 3 260.337 1.221 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001237487655 944814375 /nfs/dbraw/zinc/81/43/75/944814375.db2.gz CWCKZRLSQUHICC-YPMHNXCESA-N 0 3 260.337 1.221 20 10 CDCDHN COc1cc(CN2CCOC[C@@H](C)C2)c(O)c(OC)c1 ZINC001237671575 944918284 /nfs/dbraw/zinc/91/82/84/944918284.db2.gz COHBHEUBLWTGTQ-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc(CN2CC[C@@H](O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237675653 944918655 /nfs/dbraw/zinc/91/86/55/944918655.db2.gz CIXTVKRARCLKLX-CMPLNLGQSA-N 0 3 281.352 1.755 20 10 CDCDHN CCC[N@H+](CCOC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173253 949441471 /nfs/dbraw/zinc/44/14/71/949441471.db2.gz SHSLFHWXTNUOAJ-UHFFFAOYSA-N 0 3 295.379 1.966 20 10 CDCDHN CCC[N@@H+](CCOC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173253 949441481 /nfs/dbraw/zinc/44/14/81/949441481.db2.gz SHSLFHWXTNUOAJ-UHFFFAOYSA-N 0 3 295.379 1.966 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)CCSC)c([O-])c1 ZINC001249214219 949460428 /nfs/dbraw/zinc/46/04/28/949460428.db2.gz IBOPTFZAADYQKS-UHFFFAOYSA-N 0 3 283.393 1.903 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCSC)c([O-])c1 ZINC001249214219 949460434 /nfs/dbraw/zinc/46/04/34/949460434.db2.gz IBOPTFZAADYQKS-UHFFFAOYSA-N 0 3 283.393 1.903 20 10 CDCDHN CCOC[C@@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252028777 951069997 /nfs/dbraw/zinc/06/99/97/951069997.db2.gz JNICYRKMGBDVPC-ZDUSSCGKSA-N 0 3 281.352 1.243 20 10 CDCDHN CN(C)c1ccc(C=CCNCc2n[nH]c(CO)n2)cc1 ZINC001308558752 956547291 /nfs/dbraw/zinc/54/72/91/956547291.db2.gz XLPUMBDCFGCVGY-ARJAWSKDSA-N 0 3 287.367 1.166 20 10 CDCDHN COc1cc(C)c(C[NH2+]C2CC(CCO)C2)c([O-])c1 ZINC001308973856 956608386 /nfs/dbraw/zinc/60/83/86/956608386.db2.gz HFCRVTJXQRVMCX-UHFFFAOYSA-N 0 3 265.353 1.960 20 10 CDCDHN CN1CCCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC001338625376 961916010 /nfs/dbraw/zinc/91/60/10/961916010.db2.gz INJIBXMRRDWRHO-OAHLLOKOSA-N 0 3 290.411 1.595 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135532 282289959 /nfs/dbraw/zinc/28/99/59/282289959.db2.gz DITLMUNHQLVVQO-CYBMUJFWSA-N 0 3 282.409 1.419 20 10 CDCDHN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000179904361 357229289 /nfs/dbraw/zinc/22/92/89/357229289.db2.gz OVXZUIFGCHNTET-NSHDSACASA-N 0 3 283.393 1.868 20 10 CDCDHN CSC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180787307 357289452 /nfs/dbraw/zinc/28/94/52/357289452.db2.gz IQJWBXCGIYFIRN-LBPRGKRZSA-N 0 3 259.346 1.735 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185366040 357537079 /nfs/dbraw/zinc/53/70/79/357537079.db2.gz KUXINOKQIUPLFS-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185819794 357581338 /nfs/dbraw/zinc/58/13/38/357581338.db2.gz XJVALCGRQLZDPR-KXMPLOMGSA-N 0 3 265.309 1.538 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000188826610 357941309 /nfs/dbraw/zinc/94/13/09/357941309.db2.gz LVWODWWNTBZEOP-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000188826610 357941313 /nfs/dbraw/zinc/94/13/13/357941313.db2.gz LVWODWWNTBZEOP-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000188934239 357954060 /nfs/dbraw/zinc/95/40/60/357954060.db2.gz KWESNVDPZIOWFK-UHFFFAOYSA-N 0 3 257.305 1.362 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000188934239 357954063 /nfs/dbraw/zinc/95/40/63/357954063.db2.gz KWESNVDPZIOWFK-UHFFFAOYSA-N 0 3 257.305 1.362 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191182340 358118018 /nfs/dbraw/zinc/11/80/18/358118018.db2.gz NPJCSLCDWRIIMU-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191182340 358118020 /nfs/dbraw/zinc/11/80/20/358118020.db2.gz NPJCSLCDWRIIMU-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191727940 358149712 /nfs/dbraw/zinc/14/97/12/358149712.db2.gz IYAUGUGKZSFDAI-PWSUYJOCSA-N 0 3 251.326 1.461 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191727940 358149715 /nfs/dbraw/zinc/14/97/15/358149715.db2.gz IYAUGUGKZSFDAI-PWSUYJOCSA-N 0 3 251.326 1.461 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000282498992 364125822 /nfs/dbraw/zinc/12/58/22/364125822.db2.gz WMABHIUHLJGSFV-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)CCc2cnccn2)c1 ZINC000272725802 365366503 /nfs/dbraw/zinc/36/65/03/365366503.db2.gz GEZYWUQYFKGVBN-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)CCc2cnccn2)c1 ZINC000272725802 365366507 /nfs/dbraw/zinc/36/65/07/365366507.db2.gz GEZYWUQYFKGVBN-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COc1ccc(O)c(CN(C)CCc2cnccn2)c1 ZINC000272725802 365366514 /nfs/dbraw/zinc/36/65/14/365366514.db2.gz GEZYWUQYFKGVBN-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN CC1(C)CN(CC[NH2+]Cc2ccccc2[O-])CCO1 ZINC000171766730 365381769 /nfs/dbraw/zinc/38/17/69/365381769.db2.gz NTQYCBGOZOWUNI-UHFFFAOYSA-N 0 3 264.369 1.593 20 10 CDCDHN C[C@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183359151 365433472 /nfs/dbraw/zinc/43/34/72/365433472.db2.gz QLSCANNIEAUUKI-ZDUSSCGKSA-N 0 3 291.395 1.262 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530223200 368151654 /nfs/dbraw/zinc/15/16/54/368151654.db2.gz HFJFPOPZCRZGPN-NEPJUHHUSA-N 0 3 250.342 1.340 20 10 CDCDHN Cc1cc(C)c([C@H](C)NCc2cnnn2C)c(O)c1 ZINC000294364376 371054965 /nfs/dbraw/zinc/05/49/65/371054965.db2.gz QNJLTNQHMIXHOC-NSHDSACASA-N 0 3 260.341 1.988 20 10 CDCDHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296082336 371407319 /nfs/dbraw/zinc/40/73/19/371407319.db2.gz XLONPFJBMSXHSQ-LERXQTSPSA-N 0 3 250.342 1.163 20 10 CDCDHN Nc1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000261711275 377891041 /nfs/dbraw/zinc/89/10/41/377891041.db2.gz KLTLDSHHBWBFAQ-DLBZAZTESA-N 0 3 295.386 1.765 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293802122 378613166 /nfs/dbraw/zinc/61/31/66/378613166.db2.gz VEGJVLPSTCBVHJ-RTXFEEFZSA-N 0 3 281.352 1.591 20 10 CDCDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801757 390388421 /nfs/dbraw/zinc/38/84/21/390388421.db2.gz RSIGQQIYGCUPFT-YOEHRIQHSA-N 0 3 290.455 1.649 20 10 CDCDHN CN(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000133553886 390936633 /nfs/dbraw/zinc/93/66/33/390936633.db2.gz MYAAIIMVEONRNJ-UHFFFAOYSA-N 0 3 282.363 1.253 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000093809037 390904332 /nfs/dbraw/zinc/90/43/32/390904332.db2.gz OEJSVRAEYUELGE-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000093809037 390904333 /nfs/dbraw/zinc/90/43/33/390904333.db2.gz OEJSVRAEYUELGE-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN CCCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179440255 391205579 /nfs/dbraw/zinc/20/55/79/391205579.db2.gz VOXKQLYUOUQVES-UHFFFAOYSA-N 0 3 294.395 1.937 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000179490273 391207663 /nfs/dbraw/zinc/20/76/63/391207663.db2.gz SCOAMNKPHGXDSC-CQSZACIVSA-N 0 3 274.364 1.944 20 10 CDCDHN CC(=O)N(C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179563961 391211502 /nfs/dbraw/zinc/21/15/02/391211502.db2.gz ZXWOYIWFLPZUDR-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000193679904 391344062 /nfs/dbraw/zinc/34/40/62/391344062.db2.gz XIFZEAFHFHLCCD-NHYWBVRUSA-N 0 3 292.379 1.795 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000038044056 174051447 /nfs/dbraw/zinc/05/14/47/174051447.db2.gz HEVXQJRPADQNJI-NSHDSACASA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000038060365 174071074 /nfs/dbraw/zinc/07/10/74/174071074.db2.gz FUSRDMSRHMCVSC-LBPRGKRZSA-N 0 3 267.325 1.296 20 10 CDCDHN C[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCCC1 ZINC000158923420 261174418 /nfs/dbraw/zinc/17/44/18/261174418.db2.gz XBUAIURWMLPXRK-GFCCVEGCSA-N 0 3 292.379 1.979 20 10 CDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159826652 261195183 /nfs/dbraw/zinc/19/51/83/261195183.db2.gz UYHFSHCRIXYZSS-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC(CC(N)=O)CC2)c1 ZINC000159826652 261195185 /nfs/dbraw/zinc/19/51/85/261195185.db2.gz UYHFSHCRIXYZSS-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCOC1 ZINC000176088376 261265089 /nfs/dbraw/zinc/26/50/89/261265089.db2.gz IAKQSHZOSXBHCP-SNVBAGLBSA-N 0 3 265.309 1.589 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCOC1 ZINC000176088376 261265090 /nfs/dbraw/zinc/26/50/90/261265090.db2.gz IAKQSHZOSXBHCP-SNVBAGLBSA-N 0 3 265.309 1.589 20 10 CDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000186529409 262097616 /nfs/dbraw/zinc/09/76/16/262097616.db2.gz DHDQEXQBRYGHRH-ITKZLYELSA-N 0 3 281.352 1.826 20 10 CDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](C)N)CC2)cc1 ZINC000165751109 264689832 /nfs/dbraw/zinc/68/98/32/264689832.db2.gz SNJPVWXPOOXZHS-GFCCVEGCSA-N 0 3 277.368 1.081 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(N)=O ZINC000282517906 276233679 /nfs/dbraw/zinc/23/36/79/276233679.db2.gz SRHLJFOFCXQMQG-LLVKDONJSA-N 0 3 293.367 1.578 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(N)=O ZINC000282517906 276233682 /nfs/dbraw/zinc/23/36/82/276233682.db2.gz SRHLJFOFCXQMQG-LLVKDONJSA-N 0 3 293.367 1.578 20 10 CDCDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870742 328075238 /nfs/dbraw/zinc/07/52/38/328075238.db2.gz UIZHOOZHMLLITG-DGCLKSJQSA-N 0 3 261.369 1.634 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000378555494 329054605 /nfs/dbraw/zinc/05/46/05/329054605.db2.gz DFKXDSCPCCZQRU-VXGBXAGGSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([O-])c1O ZINC000378555494 329054607 /nfs/dbraw/zinc/05/46/07/329054607.db2.gz DFKXDSCPCCZQRU-VXGBXAGGSA-N 0 3 290.363 1.763 20 10 CDCDHN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000130671876 519788752 /nfs/dbraw/zinc/78/87/52/519788752.db2.gz PCWHEGVHPZVWAH-AWEZNQCLSA-N 0 3 264.369 1.937 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280315872 521151001 /nfs/dbraw/zinc/15/10/01/521151001.db2.gz OVFQZDCUUMITDZ-TZMCWYRMSA-N 0 3 295.379 1.526 20 10 CDCDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccc(N)cc1 ZINC000237122653 523115340 /nfs/dbraw/zinc/11/53/40/523115340.db2.gz ZYSMDMASYCLPMA-AWEZNQCLSA-N 0 3 275.396 1.612 20 10 CDCDHN COc1ccc(CN[C@]2(CCO)CCOC2)cc1C ZINC000278541129 524097415 /nfs/dbraw/zinc/09/74/15/524097415.db2.gz XJWUVEHYEDTPTJ-OAHLLOKOSA-N 0 3 265.353 1.635 20 10 CDCDHN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292969177 524226721 /nfs/dbraw/zinc/22/67/21/524226721.db2.gz KCIOQQXZFUUKGF-BONVTDFDSA-N 0 3 279.336 1.762 20 10 CDCDHN Cc1cccc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000289427022 524432441 /nfs/dbraw/zinc/43/24/41/524432441.db2.gz JZPOFQMYACOLGI-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCc2cnn(C)c2)c1 ZINC000128109050 524753694 /nfs/dbraw/zinc/75/36/94/524753694.db2.gz BZHZFWGCZRWZDT-UHFFFAOYSA-N 0 3 261.325 1.467 20 10 CDCDHN Cc1n[nH]cc1CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000050182865 525497355 /nfs/dbraw/zinc/49/73/55/525497355.db2.gz GEZIDZUUOQYFBO-UHFFFAOYSA-N 0 3 289.335 1.875 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000280875754 525922564 /nfs/dbraw/zinc/92/25/64/525922564.db2.gz NZQJQXFOUNTIOY-MJBXVCDLSA-N 0 3 279.380 1.996 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278593138 527566429 /nfs/dbraw/zinc/56/64/29/527566429.db2.gz FCRNCGWKXMTAGH-CYBMUJFWSA-N 0 3 255.289 1.162 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)CCOC1 ZINC000733327640 575114975 /nfs/dbraw/zinc/11/49/75/575114975.db2.gz JZNHFTYKIOPXMA-AWEZNQCLSA-N 0 3 251.326 1.917 20 10 CDCDHN CC(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000773018094 575774105 /nfs/dbraw/zinc/77/41/05/575774105.db2.gz HENWHKLSXQSKEI-QWRGUYRKSA-N 0 3 298.408 1.363 20 10 CDCDHN CN1CCC(CCO)([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000765920052 576063225 /nfs/dbraw/zinc/06/32/25/576063225.db2.gz BXPULUCNIYVPSV-UHFFFAOYSA-N 0 3 298.814 1.982 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2[O-])C[C@H]1C ZINC000768463488 576287304 /nfs/dbraw/zinc/28/73/04/576287304.db2.gz KATRHYMSRCTMDV-DGCLKSJQSA-N 0 3 293.363 1.950 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2[O-])C[C@H]1C ZINC000768463488 576287306 /nfs/dbraw/zinc/28/73/06/576287306.db2.gz KATRHYMSRCTMDV-DGCLKSJQSA-N 0 3 293.363 1.950 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768462701 576287311 /nfs/dbraw/zinc/28/73/11/576287311.db2.gz BXVMTAOLFMAOIP-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768462701 576287313 /nfs/dbraw/zinc/28/73/13/576287313.db2.gz BXVMTAOLFMAOIP-YGRLFVJLSA-N 0 3 279.336 1.286 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000756490225 576991916 /nfs/dbraw/zinc/99/19/16/576991916.db2.gz MJUKKJRCWKYFPQ-ZDUSSCGKSA-N 0 3 291.395 1.125 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000756554566 576995431 /nfs/dbraw/zinc/99/54/31/576995431.db2.gz IIPNLLLUEPQFPK-WFASDCNBSA-N 0 3 292.423 1.844 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000759173065 577156959 /nfs/dbraw/zinc/15/69/59/577156959.db2.gz MJKSDYNRISMDPS-OCCSQVGLSA-N 0 3 281.352 1.684 20 10 CDCDHN COC(=O)c1c(CNC[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894358555 618818483 /nfs/dbraw/zinc/81/84/83/618818483.db2.gz GYNFZTPVWUARKD-SECBINFHSA-N 0 3 294.326 1.574 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c([O-])c1 ZINC000895749393 619821422 /nfs/dbraw/zinc/82/14/22/619821422.db2.gz QSKIHHPCBGPFBR-ZIAGYGMSSA-N 0 3 265.353 1.720 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@@H](C)[C@H](O)C2)c1O ZINC000897681484 621070518 /nfs/dbraw/zinc/07/05/18/621070518.db2.gz VWFSETCYZZBRGY-LDYMZIIASA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897681484 621070519 /nfs/dbraw/zinc/07/05/19/621070519.db2.gz VWFSETCYZZBRGY-LDYMZIIASA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897681484 621070523 /nfs/dbraw/zinc/07/05/23/621070523.db2.gz VWFSETCYZZBRGY-LDYMZIIASA-N 0 3 271.744 1.867 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(N)=O)N(C)C)cc1 ZINC000899462624 622266907 /nfs/dbraw/zinc/26/69/07/622266907.db2.gz JZSFXIRDMPIVQJ-LBPRGKRZSA-N 0 3 250.346 1.024 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222836 695492524 /nfs/dbraw/zinc/49/25/24/695492524.db2.gz UMRJVILNJHEUER-LLVKDONJSA-N 0 3 274.324 1.439 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222836 695492525 /nfs/dbraw/zinc/49/25/25/695492525.db2.gz UMRJVILNJHEUER-LLVKDONJSA-N 0 3 274.324 1.439 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c([O-])c1 ZINC000704337405 695497904 /nfs/dbraw/zinc/49/79/04/695497904.db2.gz DDXCDMKZVXFMGU-WCQYABFASA-N 0 3 262.353 1.972 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1[O-] ZINC000843352076 695527440 /nfs/dbraw/zinc/52/74/40/695527440.db2.gz RAQBLZGUUMBRSV-AOOOYVTPSA-N 0 3 280.343 1.916 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCN1CCCO)CC2 ZINC000834851272 695584714 /nfs/dbraw/zinc/58/47/14/695584714.db2.gz WBTGTMCZIWTVGK-HUUCEWRRSA-N 0 3 290.407 1.816 20 10 CDCDHN CCOc1ccc(O)c(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1 ZINC000814172921 695603866 /nfs/dbraw/zinc/60/38/66/695603866.db2.gz DDQFOMMCUDBEAC-NHAGDIPZSA-N 0 3 291.347 1.642 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000799347936 695636985 /nfs/dbraw/zinc/63/69/85/695636985.db2.gz SLHAOQYWFPRMDX-IINYFYTJSA-N 0 3 278.352 1.405 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](NC(C)=O)C2)c1 ZINC000228356407 695759911 /nfs/dbraw/zinc/75/99/11/695759911.db2.gz DLEVDSUFSXKDBL-LBPRGKRZSA-N 0 3 264.325 1.111 20 10 CDCDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000934945182 695805000 /nfs/dbraw/zinc/80/50/00/695805000.db2.gz XHRDBABSCSTUNH-LBPRGKRZSA-N 0 3 278.352 1.587 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CCF)c1[O-] ZINC000846096769 695822303 /nfs/dbraw/zinc/82/23/03/695822303.db2.gz BCCRYEVGTJLBJD-JTQLQIEISA-N 0 3 277.723 1.864 20 10 CDCDHN CCN1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000391527334 695823480 /nfs/dbraw/zinc/82/34/80/695823480.db2.gz FMYMCCZVBXXSIV-VXGBXAGGSA-N 0 3 260.337 1.590 20 10 CDCDHN CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccccc1[O-] ZINC000717355552 695878248 /nfs/dbraw/zinc/87/82/48/695878248.db2.gz VJEZKOXBXKKGOW-AAEUAGOBSA-N 0 3 252.358 1.355 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)CC2 ZINC000886670233 695889710 /nfs/dbraw/zinc/88/97/10/695889710.db2.gz LDWFDWDVSJEDNB-IHRRRGAJSA-N 0 3 277.364 1.899 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000877021935 695967263 /nfs/dbraw/zinc/96/72/63/695967263.db2.gz WUXGREKWVFAEPN-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000793586191 696206448 /nfs/dbraw/zinc/20/64/48/696206448.db2.gz GQEATZZQLWNLOZ-OLZOCXBDSA-N 0 3 294.395 1.288 20 10 CDCDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266760 696212161 /nfs/dbraw/zinc/21/21/61/696212161.db2.gz BJCUXMSMLAKBHU-OCCSQVGLSA-N 0 3 294.370 1.617 20 10 CDCDHN C=Cn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000793388462 1162418234 /nfs/dbraw/zinc/41/82/34/1162418234.db2.gz OMEAZDGUVNDBPI-UHFFFAOYSA-N 0 3 259.309 1.988 20 10 CDCDHN C=Cn1cc(CNCc2ccc(OC)cc2O)cn1 ZINC000793388462 1162418236 /nfs/dbraw/zinc/41/82/36/1162418236.db2.gz OMEAZDGUVNDBPI-UHFFFAOYSA-N 0 3 259.309 1.988 20 10 CDCDHN CCNC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877115640 1165978612 /nfs/dbraw/zinc/97/86/12/1165978612.db2.gz SDFTVKWODVHPIT-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN C[C@@]1(NCc2c([O-])cccc2Br)CC[NH2+]C1 ZINC001576545383 1171451891 /nfs/dbraw/zinc/45/18/91/1171451891.db2.gz LDZKAXOSNILKRM-GFCCVEGCSA-N 0 3 285.185 1.996 20 10 CDCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[NH2+]C[C@@H]1O ZINC001580886037 1172564364 /nfs/dbraw/zinc/56/43/64/1172564364.db2.gz VNZVIIHEEABZHQ-QWRGUYRKSA-N 0 3 291.178 1.511 20 10 CDCDHN Nc1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC000083449302 1173461983 /nfs/dbraw/zinc/46/19/83/1173461983.db2.gz MGTYWCNCSKCDAO-AWEZNQCLSA-N 0 3 261.369 1.793 20 10 CDCDHN C[C@H](NC[C@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964501 724401110 /nfs/dbraw/zinc/40/11/10/724401110.db2.gz AQHPGRNGWOUSDV-UFBFGSQYSA-N 0 3 265.313 1.688 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000799163881 724412312 /nfs/dbraw/zinc/41/23/12/724412312.db2.gz OAMDSFCUXKIHLJ-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000799163881 724412316 /nfs/dbraw/zinc/41/23/16/724412316.db2.gz OAMDSFCUXKIHLJ-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000857084364 725381455 /nfs/dbraw/zinc/38/14/55/725381455.db2.gz OKZBVGTVFCMUFD-JOYOIKCWSA-N 0 3 266.316 1.803 20 10 CDCDHN CN(Cc1cc(Br)ccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000220106919 724430238 /nfs/dbraw/zinc/43/02/38/724430238.db2.gz XSZIZBAODXDWJC-LLVKDONJSA-N 0 3 285.185 1.948 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)CCO)c([O-])c1 ZINC000846110901 723804728 /nfs/dbraw/zinc/80/47/28/723804728.db2.gz LFYCXMGNRHOXFA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)CCO)c([O-])c1 ZINC000846110901 723804732 /nfs/dbraw/zinc/80/47/32/723804732.db2.gz LFYCXMGNRHOXFA-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827634716 723824929 /nfs/dbraw/zinc/82/49/29/723824929.db2.gz ZQJAOYMSDWFMAI-CYBMUJFWSA-N 0 3 274.364 1.837 20 10 CDCDHN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000827634716 723824933 /nfs/dbraw/zinc/82/49/33/723824933.db2.gz ZQJAOYMSDWFMAI-CYBMUJFWSA-N 0 3 274.364 1.837 20 10 CDCDHN COCCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000839564219 723967738 /nfs/dbraw/zinc/96/77/38/723967738.db2.gz SICSIKQHIVRCSJ-ZDUSSCGKSA-N 0 3 293.411 1.556 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN(CC(N)=O)C(C)C ZINC000840910588 724180628 /nfs/dbraw/zinc/18/06/28/724180628.db2.gz SLNHGVMZRZLJEV-UHFFFAOYSA-N 0 3 263.385 1.757 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H](C[NH3+])C2)c1[O-] ZINC000843347921 724197833 /nfs/dbraw/zinc/19/78/33/724197833.db2.gz YEDILQGCUQDQCX-NSHDSACASA-N 0 3 280.343 1.905 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cccc(OC)c3O)C[C@@H]21 ZINC000814173291 724348870 /nfs/dbraw/zinc/34/88/70/724348870.db2.gz MQDAFTXNUWWHDX-PJXYFTJBSA-N 0 3 277.320 1.252 20 10 CDCDHN CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1[O-] ZINC000126473718 725417827 /nfs/dbraw/zinc/41/78/27/725417827.db2.gz UXJHHJKQOMIWHH-SNVBAGLBSA-N 0 3 264.325 1.264 20 10 CDCDHN CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(O)c1[O-] ZINC000126473718 725417828 /nfs/dbraw/zinc/41/78/28/725417828.db2.gz UXJHHJKQOMIWHH-SNVBAGLBSA-N 0 3 264.325 1.264 20 10 CDCDHN Cc1ccc(CN2CCC(NS(C)(=O)=O)CC2)c(O)c1 ZINC000876556580 724581457 /nfs/dbraw/zinc/58/14/57/724581457.db2.gz SPDDOIGRCNDZGQ-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1[O-] ZINC000842472402 724615506 /nfs/dbraw/zinc/61/55/06/724615506.db2.gz GIUHRRFSSUWDBY-YGRLFVJLSA-N 0 3 278.327 1.528 20 10 CDCDHN Cn1nccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381742745 724731771 /nfs/dbraw/zinc/73/17/71/724731771.db2.gz PNFYBTKYNSGXOE-CYBMUJFWSA-N 0 3 257.337 1.945 20 10 CDCDHN Cc1nc([C@H](C)NCc2cc3c(cc2O)OCO3)n[nH]1 ZINC000392441840 724811601 /nfs/dbraw/zinc/81/16/01/724811601.db2.gz DTFKFYMIEWGXJF-ZETCQYMHSA-N 0 3 276.296 1.398 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC2)c1 ZINC000775362678 723991674 /nfs/dbraw/zinc/99/16/74/723991674.db2.gz HLTYRTYNDQWLQI-JTQLQIEISA-N 0 3 264.325 1.284 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC1CC1 ZINC000884232112 724301944 /nfs/dbraw/zinc/30/19/44/724301944.db2.gz ISOOOPJNFALCMA-CYBMUJFWSA-N 0 3 289.379 1.605 20 10 CDCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563334 725067750 /nfs/dbraw/zinc/06/77/50/725067750.db2.gz JNUSBHMXKXWREA-WFASDCNBSA-N 0 3 265.353 1.842 20 10 CDCDHN CCCN1C[C@@H](C[NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000817410940 725192702 /nfs/dbraw/zinc/19/27/02/725192702.db2.gz KGRVIMGWMNUQST-GFCCVEGCSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826995116 725251493 /nfs/dbraw/zinc/25/14/93/725251493.db2.gz QSOYWVNIOOJUFI-GFCCVEGCSA-N 0 3 292.335 1.427 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1c([O-])cccc1F ZINC000886524891 725325981 /nfs/dbraw/zinc/32/59/81/725325981.db2.gz STLUZRJZKQLECJ-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000883184369 725329206 /nfs/dbraw/zinc/32/92/06/725329206.db2.gz VELQAHMLPHWUOM-ZIAGYGMSSA-N 0 3 265.353 1.923 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c([O-])c1 ZINC000840962713 725410241 /nfs/dbraw/zinc/41/02/41/725410241.db2.gz MYNILTUHVCGEPW-HIFRSBDPSA-N 0 3 295.379 1.668 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2cccnn2)CC1 ZINC000876665536 725446708 /nfs/dbraw/zinc/44/67/08/725446708.db2.gz WZQCDVBHGADLES-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CS(=O)(=O)CC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000840976504 725451117 /nfs/dbraw/zinc/45/11/17/725451117.db2.gz XBQFCGSEHNAJKV-UHFFFAOYSA-N 0 3 283.393 1.697 20 10 CDCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563333 725569782 /nfs/dbraw/zinc/56/97/82/725569782.db2.gz JNUSBHMXKXWREA-SWLSCSKDSA-N 0 3 265.353 1.842 20 10 CDCDHN COc1cccc([C@H](C)N[C@H](C)C(=O)N(C)OC)c1O ZINC000858588605 725578099 /nfs/dbraw/zinc/57/80/99/725578099.db2.gz KHRXAUDGMDJSGW-VHSXEESVSA-N 0 3 282.340 1.460 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877494625 725692626 /nfs/dbraw/zinc/69/26/26/725692626.db2.gz MQDRJUWEJGVNNT-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877494625 725692630 /nfs/dbraw/zinc/69/26/30/725692630.db2.gz MQDRJUWEJGVNNT-OAHLLOKOSA-N 0 3 262.353 1.659 20 10 CDCDHN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000796498619 725978845 /nfs/dbraw/zinc/97/88/45/725978845.db2.gz XWIVZEYYGGCKNL-WDEREUQCSA-N 0 3 279.336 1.883 20 10 CDCDHN COC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839131326 725982085 /nfs/dbraw/zinc/98/20/85/725982085.db2.gz RZYWIDWBATYJTI-UHFFFAOYSA-N 0 3 275.396 1.269 20 10 CDCDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccccc1O ZINC000867834857 1164872556 /nfs/dbraw/zinc/87/25/56/1164872556.db2.gz PTOZTLVCYYECBY-LLVKDONJSA-N 0 3 286.397 1.324 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(C(=O)[O-])ccc1[O-] ZINC001604131665 1167851408 /nfs/dbraw/zinc/85/14/08/1167851408.db2.gz BJOVOMYTAGULDJ-VHSXEESVSA-N 0 3 266.341 1.868 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@H](O)[C@@H](F)CC2)cc1O ZINC001233483366 912822593 /nfs/dbraw/zinc/82/25/93/912822593.db2.gz XGMXBCWTTHJNMN-UWVGGRQHSA-N 0 3 271.288 1.098 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235044985 913986329 /nfs/dbraw/zinc/98/63/29/913986329.db2.gz PGTUSFSNRTUBNB-NWDGAFQWSA-N 0 3 282.771 1.990 20 10 CDCDHN O=C1OCCN1C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159280 899830512 /nfs/dbraw/zinc/83/05/12/899830512.db2.gz CCFMZMDTXRAJQO-UHFFFAOYSA-N 0 3 292.335 1.514 20 10 CDCDHN CCN1CC[C@H](NCc2ccc(O)c(O)c2)CC1=O ZINC001172027995 911141641 /nfs/dbraw/zinc/14/16/41/911141641.db2.gz DWVDOGULXXNUGV-NSHDSACASA-N 0 3 264.325 1.198 20 10 CDCDHN CCN(CC)CC(=O)N1CCc2cccc(O)c2C1 ZINC001180389939 916307963 /nfs/dbraw/zinc/30/79/63/916307963.db2.gz RIOPVCWPBOJGHP-UHFFFAOYSA-N 0 3 262.353 1.619 20 10 CDCDHN CN1CCCc2cc(CN3CCOC[C@@](C)(O)C3)ccc21 ZINC001138354232 936525546 /nfs/dbraw/zinc/52/55/46/936525546.db2.gz BRBXGVAQILIMBU-KRWDZBQOSA-N 0 3 290.407 1.652 20 10 CDCDHN CCN(Cc1ccc(O)c(C)c1O)C1CN(C)C1 ZINC001140749635 936749569 /nfs/dbraw/zinc/74/95/69/936749569.db2.gz HFMVWOJLCCNLST-UHFFFAOYSA-N 0 3 250.342 1.542 20 10 CDCDHN CCN1CCN(Cc2cc(O)ccc2O)[C@H](C)C1 ZINC001141163134 936823619 /nfs/dbraw/zinc/82/36/19/936823619.db2.gz QOBPYPVIWOBKHK-LLVKDONJSA-N 0 3 250.342 1.624 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697619649 937284644 /nfs/dbraw/zinc/28/46/44/937284644.db2.gz FJFMZESZXUCJSY-VHSXEESVSA-N 0 3 257.355 1.476 20 10 CDCDHN C[NH+](C)CCCCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589873 932754004 /nfs/dbraw/zinc/75/40/04/932754004.db2.gz OPFHTOJQLZGVFS-UHFFFAOYSA-N 0 3 282.340 1.265 20 10 CDCDHN CCOc1cccc(CN2CCOC[C@](C)(O)C2)c1O ZINC001203603273 939696183 /nfs/dbraw/zinc/69/61/83/939696183.db2.gz MGWAAGYJENFWDT-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN Cc1cc(C)c(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001231846180 943026995 /nfs/dbraw/zinc/02/69/95/943026995.db2.gz HOAIWFVGYKYHNE-AWEZNQCLSA-N 0 3 290.407 1.914 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1Cl ZINC001231867162 943037242 /nfs/dbraw/zinc/03/72/42/943037242.db2.gz HZMBEUSBXPJQGL-IINYFYTJSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1Cl ZINC001231867162 943037247 /nfs/dbraw/zinc/03/72/47/943037247.db2.gz HZMBEUSBXPJQGL-IINYFYTJSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CCCCN2C)c(O)c1O ZINC001262652799 943657078 /nfs/dbraw/zinc/65/70/78/943657078.db2.gz QDSOLLCRQZAZEW-LLVKDONJSA-N 0 3 278.352 1.620 20 10 CDCDHN CCN1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238056158 945040940 /nfs/dbraw/zinc/04/09/40/945040940.db2.gz DZDDNFPBLNULCG-UHFFFAOYSA-N 0 3 252.333 1.977 20 10 CDCDHN CCC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173130 949439835 /nfs/dbraw/zinc/43/98/35/949439835.db2.gz QUDMPTQDJQGKLD-UHFFFAOYSA-N 0 3 251.326 1.950 20 10 CDCDHN CCC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249173130 949439859 /nfs/dbraw/zinc/43/98/59/949439859.db2.gz QUDMPTQDJQGKLD-UHFFFAOYSA-N 0 3 251.326 1.950 20 10 CDCDHN CCOc1ccc(N2CCN([C@H](CC)CO)CC2)cc1 ZINC001333144689 958105728 /nfs/dbraw/zinc/10/57/28/958105728.db2.gz UAJPDVTYFQUVLT-CQSZACIVSA-N 0 3 278.396 1.978 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNCCN1C ZINC001340021550 962691649 /nfs/dbraw/zinc/69/16/49/962691649.db2.gz ZLKZKFLACSIUIK-AWEZNQCLSA-N 0 3 291.395 1.034 20 10 CDCDHN COc1cccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295124862 199358567 /nfs/dbraw/zinc/35/85/67/199358567.db2.gz NTVXABGPUHFNNL-GFCCVEGCSA-N 0 3 294.351 1.673 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296703853 290346064 /nfs/dbraw/zinc/34/60/64/290346064.db2.gz HVTDIIQRMYDCMU-LLVKDONJSA-N 0 3 262.353 1.741 20 10 CDCDHN Cc1cc(C)c([C@@H](C)NCCS(C)(=O)=O)c(O)c1 ZINC000293868071 198804318 /nfs/dbraw/zinc/80/43/18/198804318.db2.gz UVFXCURVKFIYSS-LLVKDONJSA-N 0 3 271.382 1.704 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191729947 358149752 /nfs/dbraw/zinc/14/97/52/358149752.db2.gz NSQWWRJZTUVJAJ-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191729947 358149754 /nfs/dbraw/zinc/14/97/54/358149754.db2.gz NSQWWRJZTUVJAJ-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)[C@H](CO)SC)c1[O-] ZINC000152486915 361281592 /nfs/dbraw/zinc/28/15/92/361281592.db2.gz AIPRDVJCJDGSGZ-MFKMUULPSA-N 0 3 285.409 1.993 20 10 CDCDHN CC[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1[O-] ZINC000271689740 364993940 /nfs/dbraw/zinc/99/39/40/364993940.db2.gz KAQSWBKMLOALQD-GFCCVEGCSA-N 0 3 251.326 1.442 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272473037 365254668 /nfs/dbraw/zinc/25/46/68/365254668.db2.gz AVFYSPLWLKZZBR-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272473037 365254672 /nfs/dbraw/zinc/25/46/72/365254672.db2.gz AVFYSPLWLKZZBR-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCOCCO)c([O-])c1C ZINC000273445998 365496002 /nfs/dbraw/zinc/49/60/02/365496002.db2.gz ZUXNKSXETOJNSW-GFCCVEGCSA-N 0 3 253.342 1.669 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000282568708 367944901 /nfs/dbraw/zinc/94/49/01/367944901.db2.gz FGOOGCAWRCYXRJ-LLVKDONJSA-N 0 3 298.358 1.745 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284278510 368509735 /nfs/dbraw/zinc/50/97/35/368509735.db2.gz HKNBGAHIQMJJRL-NEPJUHHUSA-N 0 3 282.359 1.418 20 10 CDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccccc2[O-])nn1 ZINC000284293135 368510247 /nfs/dbraw/zinc/51/02/47/368510247.db2.gz IHAONNSXXIUPJQ-JTQLQIEISA-N 0 3 290.323 1.121 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCC1(O)CCOCC1)OCO2 ZINC000285365419 368617615 /nfs/dbraw/zinc/61/76/15/368617615.db2.gz BTVIYHBRZOMVLT-UHFFFAOYSA-N 0 3 295.335 1.142 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000288570457 369468475 /nfs/dbraw/zinc/46/84/75/369468475.db2.gz MYDKWFCEEPWVCU-CJNGLKHVSA-N 0 3 271.316 1.976 20 10 CDCDHN Cc1cc(CN(CCO)C[C@H](C)O)ccc1N(C)C ZINC000293652649 378593805 /nfs/dbraw/zinc/59/38/05/378593805.db2.gz SNFCJGUMEJNZAA-ZDUSSCGKSA-N 0 3 266.385 1.236 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H](CO)C(C)(C)C ZINC000093837453 390904816 /nfs/dbraw/zinc/90/48/16/390904816.db2.gz QIIBPMQQQCNWMU-AWEZNQCLSA-N 0 3 281.352 1.960 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H](CO)C(C)(C)C ZINC000093837453 390904818 /nfs/dbraw/zinc/90/48/18/390904818.db2.gz QIIBPMQQQCNWMU-AWEZNQCLSA-N 0 3 281.352 1.960 20 10 CDCDHN COc1ccc(N2CCN(C[C@@H](C)OC)CC2)cc1 ZINC000182013202 391230052 /nfs/dbraw/zinc/23/00/52/391230052.db2.gz DQCUNHYSUDTARK-CYBMUJFWSA-N 0 3 264.369 1.852 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296618231 392441321 /nfs/dbraw/zinc/44/13/21/392441321.db2.gz YZVASYJXAWVAGV-VXGBXAGGSA-N 0 3 251.326 1.367 20 10 CDCDHN CC[C@H](NC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000662753542 413430622 /nfs/dbraw/zinc/43/06/22/413430622.db2.gz SUZXALYFQJBYAC-LBPRGKRZSA-N 0 3 277.368 1.476 20 10 CDCDHN CCN1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000038097915 174111946 /nfs/dbraw/zinc/11/19/46/174111946.db2.gz HWJANMJBGNLLKD-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000036932839 260157097 /nfs/dbraw/zinc/15/70/97/260157097.db2.gz VFNAWOLCRQTDRF-LBPRGKRZSA-N 0 3 250.342 1.203 20 10 CDCDHN C[NH+](C)C1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000126519755 260352603 /nfs/dbraw/zinc/35/26/03/260352603.db2.gz RJZZLWWITRXWCZ-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1[O-] ZINC000155547626 261103619 /nfs/dbraw/zinc/10/36/19/261103619.db2.gz QICNMKDGPXWHID-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1[O-] ZINC000155547626 261103620 /nfs/dbraw/zinc/10/36/20/261103620.db2.gz QICNMKDGPXWHID-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166473685 261390785 /nfs/dbraw/zinc/39/07/85/261390785.db2.gz BKSNKHGIOIRLJI-OAHLLOKOSA-N 0 3 275.396 1.669 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000037782217 276380499 /nfs/dbraw/zinc/38/04/99/276380499.db2.gz LVEUYSGDGCNBOX-GFCCVEGCSA-N 0 3 292.379 1.891 20 10 CDCDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000278748261 280062770 /nfs/dbraw/zinc/06/27/70/280062770.db2.gz WBSNWOJQPHYRLP-IAQYHMDHSA-N 0 3 282.359 1.521 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000093899379 327146055 /nfs/dbraw/zinc/14/60/55/327146055.db2.gz SMFBWAWIONKSAX-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000093899379 327146056 /nfs/dbraw/zinc/14/60/56/327146056.db2.gz SMFBWAWIONKSAX-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN C[C@@H](NCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000268867171 334717703 /nfs/dbraw/zinc/71/77/03/334717703.db2.gz WUTMKMOTWRRFFX-GFCCVEGCSA-N 0 3 259.357 1.695 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CC2(O)CC(OCC)C2)c1 ZINC000277633396 521151288 /nfs/dbraw/zinc/15/12/88/521151288.db2.gz CODKXXUBXTXWDQ-UHFFFAOYSA-N 0 3 295.379 1.811 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000289393876 522535116 /nfs/dbraw/zinc/53/51/16/522535116.db2.gz FKIMJDQYKNHADL-MRVPVSSYSA-N 0 3 259.733 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000289393876 522535126 /nfs/dbraw/zinc/53/51/26/522535126.db2.gz FKIMJDQYKNHADL-MRVPVSSYSA-N 0 3 259.733 1.867 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000061375877 523607264 /nfs/dbraw/zinc/60/72/64/523607264.db2.gz SREQXLWGCSNNMX-ZDUSSCGKSA-N 0 3 266.385 1.929 20 10 CDCDHN CN(C)C(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000163842478 524003149 /nfs/dbraw/zinc/00/31/49/524003149.db2.gz MWWSFRSBXNMKKN-UHFFFAOYSA-N 0 3 277.368 1.628 20 10 CDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000263732610 524284058 /nfs/dbraw/zinc/28/40/58/524284058.db2.gz QBGRBMNOZPSEFF-ZDUSSCGKSA-N 0 3 275.396 1.711 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280445570 524749646 /nfs/dbraw/zinc/74/96/46/524749646.db2.gz KUVWJUQKLGBIJX-ZDUSSCGKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280445570 524749656 /nfs/dbraw/zinc/74/96/56/524749656.db2.gz KUVWJUQKLGBIJX-ZDUSSCGKSA-N 0 3 251.326 1.604 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000773816560 575839239 /nfs/dbraw/zinc/83/92/39/575839239.db2.gz LADAOLJRPRZRFL-LSDHHAIUSA-N 0 3 264.369 1.070 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCOC1 ZINC000768453588 576285578 /nfs/dbraw/zinc/28/55/78/576285578.db2.gz ZCLPKCMGFKVOBJ-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCOC1 ZINC000768453588 576285581 /nfs/dbraw/zinc/28/55/81/576285581.db2.gz ZCLPKCMGFKVOBJ-XHDPSFHLSA-N 0 3 293.363 1.676 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000768519562 576292273 /nfs/dbraw/zinc/29/22/73/576292273.db2.gz QXBRVPPHGBBUSX-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000768519562 576292274 /nfs/dbraw/zinc/29/22/74/576292274.db2.gz QXBRVPPHGBBUSX-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCSCC2)cc1 ZINC000749125908 576936260 /nfs/dbraw/zinc/93/62/60/576936260.db2.gz JHBZLXGLAPJJKU-LBPRGKRZSA-N 0 3 293.436 1.593 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000756776064 577003623 /nfs/dbraw/zinc/00/36/23/577003623.db2.gz VHVJWAMSSJCSND-ZKYQVNSYSA-N 0 3 292.379 1.966 20 10 CDCDHN CSCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257241 617391790 /nfs/dbraw/zinc/39/17/90/617391790.db2.gz GDGSBWRYWVLBBH-CQSZACIVSA-N 0 3 295.452 1.835 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892792205 617753495 /nfs/dbraw/zinc/75/34/95/617753495.db2.gz RJGAULLTXAKTLR-JQWIXIFHSA-N 0 3 269.366 1.305 20 10 CDCDHN C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[O-] ZINC000895131340 619330062 /nfs/dbraw/zinc/33/00/62/619330062.db2.gz WZUCLEUFFLUDHW-LLVKDONJSA-N 0 3 273.336 1.970 20 10 CDCDHN CN(CC(=O)NCc1ccc(O)c(O)c1)C1CCC1 ZINC000901131345 623891074 /nfs/dbraw/zinc/89/10/74/623891074.db2.gz IZDDUUNDTAQTHG-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN CCCNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000045072216 630571417 /nfs/dbraw/zinc/57/14/17/630571417.db2.gz HCWDGGRHCVORKD-LLVKDONJSA-N 0 3 250.342 1.959 20 10 CDCDHN CC[S@@](=O)CCNCc1ccc2c(c1)CCCO2 ZINC000921720575 633239240 /nfs/dbraw/zinc/23/92/40/633239240.db2.gz BGOODFJZBDTNOI-GOSISDBHSA-N 0 3 267.394 1.870 20 10 CDCDHN C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140057705 1158540265 /nfs/dbraw/zinc/54/02/65/1158540265.db2.gz KTUYEFSPYVHERQ-UONOGXRCSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140057705 1158540267 /nfs/dbraw/zinc/54/02/67/1158540267.db2.gz KTUYEFSPYVHERQ-UONOGXRCSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)CN(Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140057705 1158540272 /nfs/dbraw/zinc/54/02/72/1158540272.db2.gz KTUYEFSPYVHERQ-UONOGXRCSA-N 0 3 269.316 1.097 20 10 CDCDHN COc1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC000127953917 1175582134 /nfs/dbraw/zinc/58/21/34/1175582134.db2.gz BKLLBYIJYIMWBU-UHFFFAOYSA-N 0 3 262.353 1.681 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000155011905 1178153956 /nfs/dbraw/zinc/15/39/56/1178153956.db2.gz XUDVMCGORBPTOS-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000155011905 1178153960 /nfs/dbraw/zinc/15/39/60/1178153960.db2.gz XUDVMCGORBPTOS-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN CCN1C[C@H](C[NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877613961 727300100 /nfs/dbraw/zinc/30/01/00/727300100.db2.gz STZUYWKQLQQCFE-LBPRGKRZSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000877313050 726181418 /nfs/dbraw/zinc/18/14/18/726181418.db2.gz PQOPTYLVWYAEGL-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000837187237 726200328 /nfs/dbraw/zinc/20/03/28/726200328.db2.gz YDIZLTWMDLNXSR-GFCCVEGCSA-N 0 3 292.379 1.961 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c([O-])c1O ZINC000837187237 726200330 /nfs/dbraw/zinc/20/03/30/726200330.db2.gz YDIZLTWMDLNXSR-GFCCVEGCSA-N 0 3 292.379 1.961 20 10 CDCDHN CCN(C)c1ccc(CN(CC)[C@@H]2CCNC2=O)cc1 ZINC000815107612 726206838 /nfs/dbraw/zinc/20/68/38/726206838.db2.gz MBJKLSGDTOMIEI-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000775995355 726271828 /nfs/dbraw/zinc/27/18/28/726271828.db2.gz NVYDILAIEODKFM-DLBZAZTESA-N 0 3 299.370 1.987 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000775995355 726271830 /nfs/dbraw/zinc/27/18/30/726271830.db2.gz NVYDILAIEODKFM-DLBZAZTESA-N 0 3 299.370 1.987 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418982 726827525 /nfs/dbraw/zinc/82/75/25/726827525.db2.gz NHULMPAIKBGWKQ-NSHDSACASA-N 0 3 277.303 1.013 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H](O)C1)OCO2 ZINC000230667417 726907644 /nfs/dbraw/zinc/90/76/44/726907644.db2.gz ATGKNDLAMUYFSB-JQWIXIFHSA-N 0 3 279.336 1.762 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CN(C)CCO1 ZINC000834685493 726908468 /nfs/dbraw/zinc/90/84/68/726908468.db2.gz XNCVODUOSDWKDC-WHOFXGATSA-N 0 3 276.380 1.688 20 10 CDCDHN Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000848566632 726986176 /nfs/dbraw/zinc/98/61/76/726986176.db2.gz CTCFNWJVIKKIDG-LLVKDONJSA-N 0 3 258.325 1.168 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000876768491 727005565 /nfs/dbraw/zinc/00/55/65/727005565.db2.gz WIDYZQYBANPBSQ-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000876768491 727005569 /nfs/dbraw/zinc/00/55/69/727005569.db2.gz WIDYZQYBANPBSQ-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1[O-] ZINC000817982541 727069824 /nfs/dbraw/zinc/06/98/24/727069824.db2.gz DZMQYRSDBGJOEE-YPMHNXCESA-N 0 3 250.342 1.421 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000877021163 727258632 /nfs/dbraw/zinc/25/86/32/727258632.db2.gz RFCRATBVPYVMET-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN CCN(CC)C(=O)CNCc1ccc(N(C)C)cc1 ZINC000071122529 727326571 /nfs/dbraw/zinc/32/65/71/727326571.db2.gz VYOWQNCPPSRAGP-UHFFFAOYSA-N 0 3 263.385 1.711 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c([O-])c1 ZINC000877100211 727333360 /nfs/dbraw/zinc/33/33/60/727333360.db2.gz QSVPCJHKSQZWOC-IUODEOHRSA-N 0 3 264.369 1.509 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc2c(c1)CCO2 ZINC000123550006 727351103 /nfs/dbraw/zinc/35/11/03/727351103.db2.gz BYJAHZAARQAMIN-MRXNPFEDSA-N 0 3 293.363 1.679 20 10 CDCDHN CN(Cc1ccc(N(C)C)cc1)C[C@@H]1COCCO1 ZINC000827368169 727351938 /nfs/dbraw/zinc/35/19/38/727351938.db2.gz KQDBVQQCMGQQQA-OAHLLOKOSA-N 0 3 264.369 1.600 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000858320656 727352420 /nfs/dbraw/zinc/35/24/20/727352420.db2.gz YFJJVPQMOQUUAS-JTQLQIEISA-N 0 3 282.340 1.289 20 10 CDCDHN CCN1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000846209716 727369133 /nfs/dbraw/zinc/36/91/33/727369133.db2.gz SMKXFTCBTJBBKZ-NWDGAFQWSA-N 0 3 262.353 1.911 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000886745233 727380255 /nfs/dbraw/zinc/38/02/55/727380255.db2.gz RKEXEXHEVXRKAO-ONGXEEELSA-N 0 3 293.342 1.694 20 10 CDCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)NC ZINC000840952462 727382007 /nfs/dbraw/zinc/38/20/07/727382007.db2.gz AETBVLIHTRCLES-AWEZNQCLSA-N 0 3 263.385 1.675 20 10 CDCDHN COc1ccc(CN[C@H]2CCCCNC2=O)cc1C ZINC000037282813 727433195 /nfs/dbraw/zinc/43/31/95/727433195.db2.gz WTGWLBOGOSCAEG-ZDUSSCGKSA-N 0 3 262.353 1.762 20 10 CDCDHN C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)ccc1[O-] ZINC000840882152 727936006 /nfs/dbraw/zinc/93/60/06/727936006.db2.gz GJSROWDZTJVHOO-VIFPVBQESA-N 0 3 287.356 1.759 20 10 CDCDHN CCOCc1cc(CN[C@@H]2COC[C@@H]2O)ccc1OC ZINC000865666844 727945276 /nfs/dbraw/zinc/94/52/76/727945276.db2.gz PBZPWTKPFBTZDS-KGLIPLIRSA-N 0 3 281.352 1.081 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000877088228 728034929 /nfs/dbraw/zinc/03/49/29/728034929.db2.gz DHOGUKDYUIPSMZ-GTNSWQLSSA-N 0 3 255.383 1.947 20 10 CDCDHN COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412330 728076296 /nfs/dbraw/zinc/07/62/96/728076296.db2.gz IVTSJGNFRZOJHG-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412330 728076299 /nfs/dbraw/zinc/07/62/99/728076299.db2.gz IVTSJGNFRZOJHG-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](NC(N)=O)C1 ZINC000840921489 728191605 /nfs/dbraw/zinc/19/16/05/728191605.db2.gz TYUKZIJDFNYRGR-CYBMUJFWSA-N 0 3 276.384 1.304 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](NC(C)=O)C2)c1O ZINC000228356339 728274586 /nfs/dbraw/zinc/27/45/86/728274586.db2.gz VDCHGXIYMQENDN-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000706722343 728365428 /nfs/dbraw/zinc/36/54/28/728365428.db2.gz IVTVOBCKNLZANU-OUCADQQQSA-N 0 3 251.326 1.583 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000877057131 1165966929 /nfs/dbraw/zinc/96/69/29/1165966929.db2.gz VFHLNDCOQQQTOV-ZDUSSCGKSA-N 0 3 278.396 1.759 20 10 CDCDHN Cc1ccc(C)c(CN2CC[C@](F)(CO)C2)c1O ZINC001140178769 895202812 /nfs/dbraw/zinc/20/28/12/895202812.db2.gz XEDMFYYOASJXTD-CQSZACIVSA-N 0 3 253.317 1.915 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@@]23CCN(C)C3=O)c1 ZINC001272636569 914239433 /nfs/dbraw/zinc/23/94/33/914239433.db2.gz GRVKSCJGJFMDFB-INIZCTEOSA-N 0 3 290.363 1.598 20 10 CDCDHN C[N@@H+]1CCC[C@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC000710414291 903242200 /nfs/dbraw/zinc/24/22/00/903242200.db2.gz PVOFQRVMUBXWKG-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN C[N@H+]1CCC[C@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC000710414291 903242207 /nfs/dbraw/zinc/24/22/07/903242207.db2.gz PVOFQRVMUBXWKG-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CO[C@@H]1CN(Cc2cc(F)cc(C)c2O)C[C@@H]1OC ZINC001238055743 917776756 /nfs/dbraw/zinc/77/67/56/917776756.db2.gz CZTJLLRJALFEQT-BETUJISGSA-N 0 3 269.316 1.685 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c([O-])c1 ZINC000835060875 936715570 /nfs/dbraw/zinc/71/55/70/936715570.db2.gz OQUJCOOMKJXQFR-HNNXBMFYSA-N 0 3 278.352 1.549 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3cncnc3)CC2)c1 ZINC001140623776 936732029 /nfs/dbraw/zinc/73/20/29/936732029.db2.gz RAUDXXQVCLPRDF-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(C)cc1O ZINC001140954297 936783619 /nfs/dbraw/zinc/78/36/19/936783619.db2.gz OYDWSWRCZDCKPZ-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN COc1cc(O)c(CN(C)[C@H]2CCOC2)c(OC)c1 ZINC001141028230 936794033 /nfs/dbraw/zinc/79/40/33/936794033.db2.gz GRHQECMWUPAMHG-JTQLQIEISA-N 0 3 267.325 1.630 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@H](C)[C@H]2C)c1[O-] ZINC000843378042 937144391 /nfs/dbraw/zinc/14/43/91/937144391.db2.gz YGVLLOKNUTYAEP-NXEZZACHSA-N 0 3 280.343 1.916 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[O-] ZINC000843385986 937144994 /nfs/dbraw/zinc/14/49/94/937144994.db2.gz GJGSTYYHBCFERE-IAQYHMDHSA-N 0 3 292.354 1.918 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000862757758 929465480 /nfs/dbraw/zinc/46/54/80/929465480.db2.gz DESYXQKJIXEMDD-CQSZACIVSA-N 0 3 264.369 1.903 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000815101381 929946207 /nfs/dbraw/zinc/94/62/07/929946207.db2.gz XTTMHBPKLQKUFE-GDBMZVCRSA-N 0 3 278.396 1.318 20 10 CDCDHN C[C@H]1CN(Cc2c(O)cc(O)cc2O)CCCC1=O ZINC001144499858 931858506 /nfs/dbraw/zinc/85/85/06/931858506.db2.gz MITTWPSILURRFL-VIFPVBQESA-N 0 3 265.309 1.604 20 10 CDCDHN CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](CO)C1 ZINC001119246910 937703249 /nfs/dbraw/zinc/70/32/49/937703249.db2.gz LCRJHCLJEWMVHE-KRWDZBQOSA-N 0 3 289.423 1.395 20 10 CDCDHN NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278254597 945214656 /nfs/dbraw/zinc/21/46/56/945214656.db2.gz AUBIMUIEHKFIIV-GFCCVEGCSA-N 0 3 278.327 1.619 20 10 CDCDHN CCOC(=O)[C@H]1CN(Cc2ccccc2O)CCS1 ZINC001203561327 939693294 /nfs/dbraw/zinc/69/32/94/939693294.db2.gz QLSPXQFEHQBMAF-CYBMUJFWSA-N 0 3 281.377 1.873 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001203620389 939696772 /nfs/dbraw/zinc/69/67/72/939696772.db2.gz DACGIIDMBHSCFC-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001203620389 939696774 /nfs/dbraw/zinc/69/67/74/939696774.db2.gz DACGIIDMBHSCFC-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c([O-])c1 ZINC001203620939 939697151 /nfs/dbraw/zinc/69/71/51/939697151.db2.gz KBPMAKPSBSCSPL-CYBMUJFWSA-N 0 3 293.363 1.517 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](F)[C@H](O)C2)c1 ZINC001203670397 939700057 /nfs/dbraw/zinc/70/00/57/939700057.db2.gz QODYHIZVCYYAED-WCQYABFASA-N 0 3 255.289 1.306 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276110 939750065 /nfs/dbraw/zinc/75/00/65/939750065.db2.gz GZTZTGIVRVBCGN-ZYHUDNBSSA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276110 939750066 /nfs/dbraw/zinc/75/00/66/939750066.db2.gz GZTZTGIVRVBCGN-ZYHUDNBSSA-N 0 3 279.336 1.871 20 10 CDCDHN C[C@@]1(O)CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275845 939750510 /nfs/dbraw/zinc/75/05/10/939750510.db2.gz CVHZMDFADKXGAN-CQSZACIVSA-N 0 3 251.326 1.835 20 10 CDCDHN C[C@@]1(O)CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275845 939750513 /nfs/dbraw/zinc/75/05/13/939750513.db2.gz CVHZMDFADKXGAN-CQSZACIVSA-N 0 3 251.326 1.835 20 10 CDCDHN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1CO ZINC001204276732 939750825 /nfs/dbraw/zinc/75/08/25/939750825.db2.gz PROCRQDLNUJGGL-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1CO ZINC001204276732 939750826 /nfs/dbraw/zinc/75/08/26/939750826.db2.gz PROCRQDLNUJGGL-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC12CC2 ZINC001204281809 939752306 /nfs/dbraw/zinc/75/23/06/939752306.db2.gz KVYSKMUVNUZNDD-GFCCVEGCSA-N 0 3 277.320 1.483 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC12CC2 ZINC001204281809 939752307 /nfs/dbraw/zinc/75/23/07/939752307.db2.gz KVYSKMUVNUZNDD-GFCCVEGCSA-N 0 3 277.320 1.483 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204281434 939752755 /nfs/dbraw/zinc/75/27/55/939752755.db2.gz FEUIHFHSYJEBHI-FZMZJTMJSA-N 0 3 290.363 1.541 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204281434 939752757 /nfs/dbraw/zinc/75/27/57/939752757.db2.gz FEUIHFHSYJEBHI-FZMZJTMJSA-N 0 3 290.363 1.541 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204280600 939752826 /nfs/dbraw/zinc/75/28/26/939752826.db2.gz LGZWERQVMZUVCQ-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204280600 939752828 /nfs/dbraw/zinc/75/28/28/939752828.db2.gz LGZWERQVMZUVCQ-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN O=C1c2ccccc2C(=O)c2c(OC3CNC3)ccc(O)c21 ZINC001218049552 941037904 /nfs/dbraw/zinc/03/79/04/941037904.db2.gz LDOHMKMVMYRYSK-UHFFFAOYSA-N 0 3 295.294 1.518 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000190059435 941346884 /nfs/dbraw/zinc/34/68/84/941346884.db2.gz NPCMFAJIIIHOTE-MFKMUULPSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000190059435 941346885 /nfs/dbraw/zinc/34/68/85/941346885.db2.gz NPCMFAJIIIHOTE-MFKMUULPSA-N 0 3 251.326 1.604 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442520 942579323 /nfs/dbraw/zinc/57/93/23/942579323.db2.gz WTIHTNSBFHFQHG-XJKSGUPXSA-N 0 3 274.364 1.870 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442520 942579325 /nfs/dbraw/zinc/57/93/25/942579325.db2.gz WTIHTNSBFHFQHG-XJKSGUPXSA-N 0 3 274.364 1.870 20 10 CDCDHN Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)N(C)C)c(O)c1 ZINC001277569473 943022468 /nfs/dbraw/zinc/02/24/68/943022468.db2.gz ZGQDUZUROVCQJC-XJKSGUPXSA-N 0 3 274.364 1.753 20 10 CDCDHN COCCN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231843672 943025999 /nfs/dbraw/zinc/02/59/99/943025999.db2.gz DFJJPGJELQREFZ-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN CN(Cc1cc(Cl)c([O-])cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122565 944409084 /nfs/dbraw/zinc/40/90/84/944409084.db2.gz WKGPTKLGQYOSQD-JTQLQIEISA-N 0 3 270.760 1.935 20 10 CDCDHN CCc1ccc(CN2CCN(CCOC)CC2)c(O)c1 ZINC001236786308 944568922 /nfs/dbraw/zinc/56/89/22/944568922.db2.gz NSXJNSFCKUPFOP-UHFFFAOYSA-N 0 3 278.396 1.719 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2ccncn2)CC1 ZINC001237492509 944814562 /nfs/dbraw/zinc/81/45/62/944814562.db2.gz RWPZVMKJVXBZPP-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238069337 945050998 /nfs/dbraw/zinc/05/09/98/945050998.db2.gz YEHWKZPWOFRALO-ZDUSSCGKSA-N 0 3 266.316 1.550 20 10 CDCDHN C[C@@H](CC(=O)N1CCOCC1)[N@H+](C)Cc1ccccc1[O-] ZINC001256342502 948279605 /nfs/dbraw/zinc/27/96/05/948279605.db2.gz GPHDZMVLCBADBJ-ZDUSSCGKSA-N 0 3 292.379 1.461 20 10 CDCDHN C[C@@H](CC(=O)N1CCOCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC001256342502 948279612 /nfs/dbraw/zinc/27/96/12/948279612.db2.gz GPHDZMVLCBADBJ-ZDUSSCGKSA-N 0 3 292.379 1.461 20 10 CDCDHN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000072872248 345378630 /nfs/dbraw/zinc/37/86/30/345378630.db2.gz QWMXOJBFSPVVHO-KBPBESRZSA-N 0 3 289.423 1.957 20 10 CDCDHN COCCO[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000188826116 357941626 /nfs/dbraw/zinc/94/16/26/357941626.db2.gz QLKBCEXGWBZTCX-CYBMUJFWSA-N 0 3 281.352 1.638 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CCNC1 ZINC000370783420 358968788 /nfs/dbraw/zinc/96/87/88/358968788.db2.gz YEVJEUQXKXGBMK-HNNXBMFYSA-N 0 3 293.342 1.180 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)c([O-])c1O ZINC000293667975 370738035 /nfs/dbraw/zinc/73/80/35/370738035.db2.gz GHHIRHCBRSUHAI-VIFPVBQESA-N 0 3 266.341 1.334 20 10 CDCDHN COc1cccc(C[N@H+](C)CCc2cnccn2)c1[O-] ZINC000273761923 365522442 /nfs/dbraw/zinc/52/24/42/365522442.db2.gz PHRHRFVBUZUHQP-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COc1cccc(C[N@@H+](C)CCc2cnccn2)c1[O-] ZINC000273761923 365522444 /nfs/dbraw/zinc/52/24/44/365522444.db2.gz PHRHRFVBUZUHQP-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COc1cccc(CN(C)CCc2cnccn2)c1O ZINC000273761923 365522446 /nfs/dbraw/zinc/52/24/46/365522446.db2.gz PHRHRFVBUZUHQP-UHFFFAOYSA-N 0 3 273.336 1.865 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000281702431 367676014 /nfs/dbraw/zinc/67/60/14/367676014.db2.gz STTUCNDNAGZJOV-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN COCCn1cc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000282451363 367892529 /nfs/dbraw/zinc/89/25/29/367892529.db2.gz KDWKNSTWAADTCW-UHFFFAOYSA-N 0 3 279.315 1.664 20 10 CDCDHN Cc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000288600461 369472790 /nfs/dbraw/zinc/47/27/90/369472790.db2.gz PNXNGPYRXOXSFD-CMPLNLGQSA-N 0 3 269.366 1.223 20 10 CDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000295198262 371144228 /nfs/dbraw/zinc/14/42/28/371144228.db2.gz OTXGWLCFTSCROQ-JTQLQIEISA-N 0 3 279.359 1.648 20 10 CDCDHN Cc1cc(CN2CCN(CCO)CC2)ccc1N(C)C ZINC000293546619 378573685 /nfs/dbraw/zinc/57/36/85/378573685.db2.gz QUBKBPBBCCQTLA-UHFFFAOYSA-N 0 3 277.412 1.171 20 10 CDCDHN COC1CCN(c2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000295017000 378657628 /nfs/dbraw/zinc/65/76/28/378657628.db2.gz UCCLLRPUDNKHIK-MRXNPFEDSA-N 0 3 290.407 1.868 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093813875 390904794 /nfs/dbraw/zinc/90/47/94/390904794.db2.gz BNWNWIQVENNDJZ-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093813875 390904796 /nfs/dbraw/zinc/90/47/96/390904796.db2.gz BNWNWIQVENNDJZ-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1O)OCO2 ZINC000052002603 390965560 /nfs/dbraw/zinc/96/55/60/390965560.db2.gz ZKMZHYBDWOUEGQ-GHMZBOCLSA-N 0 3 265.309 1.514 20 10 CDCDHN Oc1ccccc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000179578960 391213157 /nfs/dbraw/zinc/21/31/57/391213157.db2.gz GPKXGPUBMPYYPW-LLVKDONJSA-N 0 3 261.243 1.891 20 10 CDCDHN COCCn1cc(CNCc2cc(C)ccc2O)cn1 ZINC000281886042 391418807 /nfs/dbraw/zinc/41/88/07/391418807.db2.gz DOHCMKOUCFDOKE-UHFFFAOYSA-N 0 3 275.352 1.833 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000188493749 391458635 /nfs/dbraw/zinc/45/86/35/391458635.db2.gz ZMDHZMVAPXCFIY-VIFPVBQESA-N 0 3 280.324 1.077 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1[O-] ZINC000038060223 174070621 /nfs/dbraw/zinc/07/06/21/174070621.db2.gz VOUZJJOSIHZPBA-DGCLKSJQSA-N 0 3 251.326 1.848 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O ZINC000078639414 260168463 /nfs/dbraw/zinc/16/84/63/260168463.db2.gz XHXXZNAPXGRYNQ-JTQLQIEISA-N 0 3 287.381 1.314 20 10 CDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183595381 261981560 /nfs/dbraw/zinc/98/15/60/261981560.db2.gz URPCCFWADDRYIY-NSHDSACASA-N 0 3 286.397 1.371 20 10 CDCDHN C[C@@H]([NH2+]CCOCCO)c1cc2c(cc1[O-])CCCC2 ZINC000184886898 262032689 /nfs/dbraw/zinc/03/26/89/262032689.db2.gz ZYFAFEAJRJCSNJ-GFCCVEGCSA-N 0 3 279.380 1.931 20 10 CDCDHN C[C@H]([NH2+]CC1(C)OCCO1)c1cc(F)ccc1[O-] ZINC000186212123 262084731 /nfs/dbraw/zinc/08/47/31/262084731.db2.gz ASYBVDXXTBKMHH-VIFPVBQESA-N 0 3 255.289 1.945 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186203506 262084787 /nfs/dbraw/zinc/08/47/87/262084787.db2.gz ANBAXSPDMFCXHQ-KOLCDFICSA-N 0 3 257.305 1.579 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCCOCC1 ZINC000289567727 263110957 /nfs/dbraw/zinc/11/09/57/263110957.db2.gz ZJWAOIQGZPEQQZ-UHFFFAOYSA-N 0 3 268.332 1.343 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000372687622 267592153 /nfs/dbraw/zinc/59/21/53/267592153.db2.gz VPEUNSVTXIEERR-MRXNPFEDSA-N 0 3 289.379 1.827 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc(C)ccc1O ZINC000188476517 327864072 /nfs/dbraw/zinc/86/40/72/327864072.db2.gz NDZUEHWBOYEBTN-NSHDSACASA-N 0 3 250.342 1.657 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@](F)(CO)C2)c1 ZINC000289722295 328256062 /nfs/dbraw/zinc/25/60/62/328256062.db2.gz HHYJNJIGYWYUDJ-CQSZACIVSA-N 0 3 253.317 1.997 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](CCO)COC)c1[O-] ZINC000219141197 333142853 /nfs/dbraw/zinc/14/28/53/333142853.db2.gz SVRMBDTVJPKDFW-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000273580545 334767306 /nfs/dbraw/zinc/76/73/06/334767306.db2.gz MOGRIWUIKKVVJM-SCZZXKLOSA-N 0 3 252.289 1.413 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([O-])c1O ZINC000271324432 482834854 /nfs/dbraw/zinc/83/48/54/482834854.db2.gz YBUXKGJDRPLKHW-STQMWFEESA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([O-])c1O ZINC000271324432 482834861 /nfs/dbraw/zinc/83/48/61/482834861.db2.gz YBUXKGJDRPLKHW-STQMWFEESA-N 0 3 290.363 1.763 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037268346 521745553 /nfs/dbraw/zinc/74/55/53/521745553.db2.gz DGTIZGYZUPXSAC-NEPJUHHUSA-N 0 3 263.385 1.928 20 10 CDCDHN CNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000044988135 524069191 /nfs/dbraw/zinc/06/91/91/524069191.db2.gz AYQSROSFANPBOX-SECBINFHSA-N 0 3 252.314 1.188 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000037154521 524753544 /nfs/dbraw/zinc/75/35/44/524753544.db2.gz DHVLGGQGTYDXJU-NSHDSACASA-N 0 3 261.325 1.776 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038082795 524772015 /nfs/dbraw/zinc/77/20/15/524772015.db2.gz VKRHSWSHUKKKNW-WDEREUQCSA-N 0 3 299.392 1.486 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000094617782 525503378 /nfs/dbraw/zinc/50/33/78/525503378.db2.gz LWHQWTDZQCJYOM-NXEZZACHSA-N 0 3 287.356 1.617 20 10 CDCDHN C[NH+]1CCC(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000732281315 575086691 /nfs/dbraw/zinc/08/66/91/575086691.db2.gz XTNIAOFENDJYLG-UHFFFAOYSA-N 0 3 268.382 1.915 20 10 CDCDHN COc1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1O ZINC000769507250 575353867 /nfs/dbraw/zinc/35/38/67/575353867.db2.gz BEGUJVRWRDVEOZ-VXGBXAGGSA-N 0 3 292.379 1.890 20 10 CDCDHN CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000771765627 575609500 /nfs/dbraw/zinc/60/95/00/575609500.db2.gz CMKLXXSKKLWXIT-BONVTDFDSA-N 0 3 297.351 1.366 20 10 CDCDHN CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000771765627 575609501 /nfs/dbraw/zinc/60/95/01/575609501.db2.gz CMKLXXSKKLWXIT-BONVTDFDSA-N 0 3 297.351 1.366 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)CSC)c([O-])c1 ZINC000738441053 576074560 /nfs/dbraw/zinc/07/45/60/576074560.db2.gz PWRPNZZJSSVEDK-AWEZNQCLSA-N 0 3 285.409 1.995 20 10 CDCDHN CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([O-])cs1 ZINC000768229157 576265572 /nfs/dbraw/zinc/26/55/72/576265572.db2.gz DESQNGGVIUFZTQ-NSHDSACASA-N 0 3 286.397 1.540 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000768533221 576294505 /nfs/dbraw/zinc/29/45/05/576294505.db2.gz JEDOHCLQWXBXKT-AWEZNQCLSA-N 0 3 283.299 1.343 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c([O-])c1 ZINC000747621905 576877214 /nfs/dbraw/zinc/87/72/14/576877214.db2.gz GAZIXYJNMDNAJP-AWEZNQCLSA-N 0 3 283.393 1.749 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC000748558277 576917207 /nfs/dbraw/zinc/91/72/07/576917207.db2.gz XIHFZZYHULIGJQ-OAHLLOKOSA-N 0 3 275.396 1.805 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000758613419 577121715 /nfs/dbraw/zinc/12/17/15/577121715.db2.gz AYMQGTCCPQMPED-JTQLQIEISA-N 0 3 275.295 1.897 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H](CO)CC(F)F)c1 ZINC000758613419 577121716 /nfs/dbraw/zinc/12/17/16/577121716.db2.gz AYMQGTCCPQMPED-JTQLQIEISA-N 0 3 275.295 1.897 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000759173998 577157205 /nfs/dbraw/zinc/15/72/05/577157205.db2.gz SVOXJLYXRBBGSX-HIFRSBDPSA-N 0 3 265.353 1.984 20 10 CDCDHN CO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254954 617391603 /nfs/dbraw/zinc/39/16/03/617391603.db2.gz KUMTWZRNRZJUSZ-DOMZBBRYSA-N 0 3 293.411 1.506 20 10 CDCDHN COc1cc(C)cc(CNCC(=O)NC(C)C)c1O ZINC000894141643 618619058 /nfs/dbraw/zinc/61/90/58/618619058.db2.gz UVRWOXRAEOINAG-UHFFFAOYSA-N 0 3 266.341 1.323 20 10 CDCDHN COc1ccc(N2CC[C@@H](Nc3ccncc3CO)C2)cc1 ZINC000894487392 618914443 /nfs/dbraw/zinc/91/44/43/618914443.db2.gz SLKJNHJCJDMUCE-CQSZACIVSA-N 0 3 299.374 1.695 20 10 CDCDHN COc1cc(C)cc(CNCc2cncn2C)c1O ZINC000894791105 619056113 /nfs/dbraw/zinc/05/61/13/619056113.db2.gz ZZWZFABODFRDDW-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COCC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895975471 619931040 /nfs/dbraw/zinc/93/10/40/619931040.db2.gz XZVFNYZJUQGIJX-UHFFFAOYSA-N 0 3 290.407 1.726 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834902511 1158805757 /nfs/dbraw/zinc/80/57/57/1158805757.db2.gz BWMXWULGXGXYQZ-ZKYQVNSYSA-N 0 3 251.326 1.847 20 10 CDCDHN CO[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOC1 ZINC000123189000 1165186135 /nfs/dbraw/zinc/18/61/35/1165186135.db2.gz GOKXDYXFVMDGFI-YGRLFVJLSA-N 0 3 269.316 1.987 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000069140984 728771107 /nfs/dbraw/zinc/77/11/07/728771107.db2.gz FWHNMOMBLCMEFC-GHMZBOCLSA-N 0 3 269.366 1.620 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229902 728777433 /nfs/dbraw/zinc/77/74/33/728777433.db2.gz XNRJZFOBIMKMAK-NWDGAFQWSA-N 0 3 281.352 1.420 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1cc(OC)c(OC)cc1O ZINC000835076827 728840126 /nfs/dbraw/zinc/84/01/26/728840126.db2.gz WHQOAZBJJJDAGF-UHFFFAOYSA-N 0 3 296.367 1.414 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCSC[C@H]1CO ZINC000877779907 728878888 /nfs/dbraw/zinc/87/88/88/728878888.db2.gz HXGSTRLQJHGWSH-OAHLLOKOSA-N 0 3 280.437 1.971 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2cnccn2)CC1 ZINC000876589481 728899663 /nfs/dbraw/zinc/89/96/63/728899663.db2.gz LWDMMHGAKIPXBX-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN COc1cccc([C@@H](C)NCC(=O)NCC(F)F)c1O ZINC000846167965 728940316 /nfs/dbraw/zinc/94/03/16/728940316.db2.gz PMNDGIAOFPXJHC-MRVPVSSYSA-N 0 3 288.294 1.433 20 10 CDCDHN CCN(C)C(=O)CN[C@@H](C)c1cccc(OC)c1O ZINC000846165232 728431319 /nfs/dbraw/zinc/43/13/19/728431319.db2.gz UKOJWUCVSROBOS-JTQLQIEISA-N 0 3 266.341 1.530 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(F)cc1[O-] ZINC000817946466 729031034 /nfs/dbraw/zinc/03/10/34/729031034.db2.gz XWEZIUIFKQRBEL-ZDUSSCGKSA-N 0 3 295.358 1.004 20 10 CDCDHN Cc1ccc(O)c(CNCc2ccnc(N(C)C)n2)c1 ZINC000776495893 729044427 /nfs/dbraw/zinc/04/44/27/729044427.db2.gz DMUMBLXOOXOFCC-UHFFFAOYSA-N 0 3 272.352 1.846 20 10 CDCDHN COc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc(OC)n1 ZINC001015104227 729053597 /nfs/dbraw/zinc/05/35/97/729053597.db2.gz REKWMLRGSFSEKW-GFCCVEGCSA-N 0 3 293.367 1.311 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000876513839 729157855 /nfs/dbraw/zinc/15/78/55/729157855.db2.gz JGRAYVRBUWFADK-UHFFFAOYSA-N 0 3 289.379 1.690 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000839195595 729453113 /nfs/dbraw/zinc/45/31/13/729453113.db2.gz LGPRAEVZJVIZDH-VIFPVBQESA-N 0 3 298.770 1.670 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1[O-] ZINC000842474585 729479780 /nfs/dbraw/zinc/47/97/80/729479780.db2.gz VRNQDCXRTLIQSH-NXEZZACHSA-N 0 3 280.343 1.916 20 10 CDCDHN NC(=O)CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000817585240 729659876 /nfs/dbraw/zinc/65/98/76/729659876.db2.gz DGPBWORCJXMAHP-LLVKDONJSA-N 0 3 260.337 1.625 20 10 CDCDHN CCN1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000922639133 729733546 /nfs/dbraw/zinc/73/35/46/729733546.db2.gz IJHUDIJTHTXAAQ-CQSZACIVSA-N 0 3 293.386 1.992 20 10 CDCDHN COc1cccc(O)c1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883403212 729743247 /nfs/dbraw/zinc/74/32/47/729743247.db2.gz MXMKYZDHKLOPLG-GFCCVEGCSA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883403212 729743260 /nfs/dbraw/zinc/74/32/60/729743260.db2.gz MXMKYZDHKLOPLG-GFCCVEGCSA-N 0 3 290.363 1.501 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000879648053 729759855 /nfs/dbraw/zinc/75/98/55/729759855.db2.gz XFYZKNXDLVMOGV-NEPJUHHUSA-N 0 3 278.352 1.338 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000832012048 729802417 /nfs/dbraw/zinc/80/24/17/729802417.db2.gz KKYVLWBADNTMCC-HUUCEWRRSA-N 0 3 264.369 1.253 20 10 CDCDHN OC[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1 ZINC000921994050 729802885 /nfs/dbraw/zinc/80/28/85/729802885.db2.gz OTRWOYNTCMORGN-HNNXBMFYSA-N 0 3 263.337 1.253 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869079 729814961 /nfs/dbraw/zinc/81/49/61/729814961.db2.gz UCWQOMUAXSHDIZ-HNNXBMFYSA-N 0 3 291.395 1.001 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@H](O)CO2 ZINC000842624673 729847122 /nfs/dbraw/zinc/84/71/22/729847122.db2.gz GLKGBWJNEHJZPV-KMUNFCNLSA-N 0 3 291.347 1.429 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@H](O)CO2 ZINC000842624673 729847123 /nfs/dbraw/zinc/84/71/23/729847123.db2.gz GLKGBWJNEHJZPV-KMUNFCNLSA-N 0 3 291.347 1.429 20 10 CDCDHN Cc1cc(CN2CCC(O)(CO)CC2)ccc1N(C)C ZINC000852500131 729847269 /nfs/dbraw/zinc/84/72/69/729847269.db2.gz IBIOFMGXYPTYGZ-UHFFFAOYSA-N 0 3 278.396 1.380 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000883184366 729956690 /nfs/dbraw/zinc/95/66/90/729956690.db2.gz VELQAHMLPHWUOM-KBPBESRZSA-N 0 3 265.353 1.923 20 10 CDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N ZINC000843485584 730049885 /nfs/dbraw/zinc/04/98/85/730049885.db2.gz MPUWLMMDPXNZIP-GFCCVEGCSA-N 0 3 263.385 1.837 20 10 CDCDHN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)C1CC1 ZINC001204277729 916577870 /nfs/dbraw/zinc/57/78/70/916577870.db2.gz JJBJBTDONDGQBX-CYBMUJFWSA-N 0 3 290.363 1.588 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204281867 916641931 /nfs/dbraw/zinc/64/19/31/916641931.db2.gz YHNQSEOCZLZXSK-UHTWSYAYSA-N 0 3 291.347 1.871 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204281867 916641944 /nfs/dbraw/zinc/64/19/44/916641944.db2.gz YHNQSEOCZLZXSK-UHTWSYAYSA-N 0 3 291.347 1.871 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359120 936525731 /nfs/dbraw/zinc/52/57/31/936525731.db2.gz LHEQZQZVXGCOBX-MRXNPFEDSA-N 0 3 287.407 1.779 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140056468 936675276 /nfs/dbraw/zinc/67/52/76/936675276.db2.gz YDHZHIGWLZPAKR-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140056468 936675277 /nfs/dbraw/zinc/67/52/77/936675277.db2.gz YDHZHIGWLZPAKR-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN Oc1ccc(F)cc1CN1CCc2nncn2CC1 ZINC001140063255 936675353 /nfs/dbraw/zinc/67/53/53/936675353.db2.gz OPYGNRXUANMQDY-UHFFFAOYSA-N 0 3 262.288 1.181 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@H](F)[C@H](O)C2)c1O ZINC001140742469 936748204 /nfs/dbraw/zinc/74/82/04/936748204.db2.gz PLEICSYOAADDQH-CMPLNLGQSA-N 0 3 255.289 1.311 20 10 CDCDHN CS(=O)(=O)C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001169851256 928470447 /nfs/dbraw/zinc/47/04/47/928470447.db2.gz FABGQTCOXNKEJR-UHFFFAOYSA-N 0 3 283.393 1.838 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(F)ccc1[O-] ZINC000817984170 930659251 /nfs/dbraw/zinc/65/92/51/930659251.db2.gz VRSXNSNVKIMKKC-GXSJLCMTSA-N 0 3 254.305 1.170 20 10 CDCDHN C[C@@H]1CN(Cc2c(O)cc(O)cc2O)C[C@@H](C)O1 ZINC001144500384 931859566 /nfs/dbraw/zinc/85/95/66/931859566.db2.gz SVBDYYCCONGPMO-RKDXNWHRSA-N 0 3 253.298 1.413 20 10 CDCDHN CCCNC(=O)CN[C@@H](C)c1cccc(OC)c1O ZINC000846139025 931985532 /nfs/dbraw/zinc/98/55/32/931985532.db2.gz ZVIYWVHVQIIGJJ-JTQLQIEISA-N 0 3 266.341 1.578 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCC([NH2+]CCO)CC1 ZINC000686281339 934029239 /nfs/dbraw/zinc/02/92/39/934029239.db2.gz FPWCECFBIMJKOK-UHFFFAOYSA-N 0 3 284.787 1.592 20 10 CDCDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(N)cc1 ZINC001120591982 937815025 /nfs/dbraw/zinc/81/50/25/937815025.db2.gz OAMNYIBMNOGGOC-UHFFFAOYSA-N 0 3 292.427 1.998 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001203550271 939692925 /nfs/dbraw/zinc/69/29/25/939692925.db2.gz PEFFGRWLGONJIY-WFASDCNBSA-N 0 3 277.320 1.014 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001203550271 939692926 /nfs/dbraw/zinc/69/29/26/939692926.db2.gz PEFFGRWLGONJIY-WFASDCNBSA-N 0 3 277.320 1.014 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203562927 939693069 /nfs/dbraw/zinc/69/30/69/939693069.db2.gz PLWNFWQAOONSHH-OCCSQVGLSA-N 0 3 274.364 1.835 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203562927 939693070 /nfs/dbraw/zinc/69/30/70/939693070.db2.gz PLWNFWQAOONSHH-OCCSQVGLSA-N 0 3 274.364 1.835 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](O)[C@](C)(CO)C2)cc1 ZINC001203931468 939714555 /nfs/dbraw/zinc/71/45/55/939714555.db2.gz QTJATRNDBXJNDV-CVEARBPZSA-N 0 3 278.396 1.318 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328560 939756343 /nfs/dbraw/zinc/75/63/43/939756343.db2.gz JINOYWXKHZQEME-INIZCTEOSA-N 0 3 287.407 1.997 20 10 CDCDHN COCCN(Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001204341383 939757551 /nfs/dbraw/zinc/75/75/51/939757551.db2.gz BCWSOYWKUGQHLE-UHFFFAOYSA-N 0 3 269.341 1.963 20 10 CDCDHN CCN1CCN(c2ccc(O[C@H]3C[C@H](O)C3)cc2)CC1 ZINC001218366956 941210346 /nfs/dbraw/zinc/21/03/46/941210346.db2.gz QBHYYLZBBLZIPB-KOMQPUFPSA-N 0 3 276.380 1.731 20 10 CDCDHN [O-]c1c(Cl)cccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507347 941605183 /nfs/dbraw/zinc/60/51/83/941605183.db2.gz UALCRJHFLLVTKV-KBPBESRZSA-N 0 3 295.814 1.571 20 10 CDCDHN COc1cc(N(C)C)ccc1CN(C)CCC1OCCO1 ZINC001231854271 943032173 /nfs/dbraw/zinc/03/21/73/943032173.db2.gz DRBFORUBVUYALO-UHFFFAOYSA-N 0 3 294.395 1.956 20 10 CDCDHN COC(=O)CCN(Cc1cc(O)c(O)cc1O)C1CC1 ZINC001233486782 943595246 /nfs/dbraw/zinc/59/52/46/943595246.db2.gz BNCSGSBACROSAE-UHFFFAOYSA-N 0 3 281.308 1.331 20 10 CDCDHN CC(C)[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC001235471189 944167621 /nfs/dbraw/zinc/16/76/21/944167621.db2.gz HWUTYDNKUPHNRC-ZDUSSCGKSA-N 0 3 252.333 1.961 20 10 CDCDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001235990643 944355418 /nfs/dbraw/zinc/35/54/18/944355418.db2.gz KLSVDTCGSWCFDV-NOZJJQNGSA-N 0 3 252.745 1.969 20 10 CDCDHN CCc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC001236782897 944566147 /nfs/dbraw/zinc/56/61/47/944566147.db2.gz GPWPIBULIHVJGU-UHFFFAOYSA-N 0 3 277.368 1.587 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2cncnc2)CC1 ZINC001237492434 944813086 /nfs/dbraw/zinc/81/30/86/944813086.db2.gz PVOGIERKBBOSGE-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN Cn1ccc(-c2cncc([C@H]3CN4CCC3CC4)n2)cc1=O ZINC001240983472 946127045 /nfs/dbraw/zinc/12/70/45/946127045.db2.gz KBBVSGGXXWMOQK-AWEZNQCLSA-N 0 3 296.374 1.652 20 10 CDCDHN COC(=O)Cc1ccc(CN2CCCC23COC3)c(O)c1 ZINC001249201236 949451842 /nfs/dbraw/zinc/45/18/42/949451842.db2.gz LPFLVKUDEPBDSP-UHFFFAOYSA-N 0 3 291.347 1.473 20 10 CDCDHN CCc1cc(CNCc2ccc(OC)c(OC)c2O)[nH]n1 ZINC001342946101 963869191 /nfs/dbraw/zinc/86/91/91/963869191.db2.gz CVVSVZKFMGQACC-UHFFFAOYSA-N 0 3 291.351 1.985 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCC(CO)CC1)CC2 ZINC001347934598 965753060 /nfs/dbraw/zinc/75/30/60/965753060.db2.gz CVRJVTRFEQWPFZ-HNNXBMFYSA-N 0 3 290.407 1.673 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1 ZINC000294953645 199268252 /nfs/dbraw/zinc/26/82/52/199268252.db2.gz DHKHFENEQVUXRT-CYBMUJFWSA-N 0 3 299.440 1.170 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CC[C@@H](CO)C1)OCO2 ZINC000295051746 199321082 /nfs/dbraw/zinc/32/10/82/199321082.db2.gz NNGFXNKZKLHWJE-KOLCDFICSA-N 0 3 265.309 1.372 20 10 CDCDHN COc1cccc(CNC(=O)NCCN(C)C2CC2)c1O ZINC000074200822 345663797 /nfs/dbraw/zinc/66/37/97/345663797.db2.gz WMMNTRWKOPVPHQ-UHFFFAOYSA-N 0 3 293.367 1.294 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000187820339 357811014 /nfs/dbraw/zinc/81/10/14/357811014.db2.gz QGROARIKCMNXSX-QMMMGPOBSA-N 0 3 259.733 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000187820339 357811016 /nfs/dbraw/zinc/81/10/16/357811016.db2.gz QGROARIKCMNXSX-QMMMGPOBSA-N 0 3 259.733 1.867 20 10 CDCDHN COC[C@@H]1CN(Cc2cccc(C)c2O)C[C@@H](C)O1 ZINC000188368112 357886428 /nfs/dbraw/zinc/88/64/28/357886428.db2.gz BNYHKNSPFAAVGT-OCCSQVGLSA-N 0 3 265.353 1.936 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@H]2O)cc1 ZINC000296044859 199763621 /nfs/dbraw/zinc/76/36/21/199763621.db2.gz USIDXHGKFDBKAN-KCPJHIHWSA-N 0 3 264.369 1.553 20 10 CDCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])N1CCOCC1 ZINC000020120605 358329612 /nfs/dbraw/zinc/32/96/12/358329612.db2.gz WQIUKDDIKFWMGJ-UHFFFAOYSA-N 0 3 264.369 1.593 20 10 CDCDHN CN(C)[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1 ZINC000269223680 364161502 /nfs/dbraw/zinc/16/15/02/364161502.db2.gz BHCPTJDGHFKDJH-OAHLLOKOSA-N 0 3 293.436 1.365 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000181232856 365025742 /nfs/dbraw/zinc/02/57/42/365025742.db2.gz XBVPJJFVPGTFNO-SNVBAGLBSA-N 0 3 282.315 1.041 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(C)=O)c1 ZINC000182463653 365126293 /nfs/dbraw/zinc/12/62/93/365126293.db2.gz WJZVEYWCCZVBDI-JTQLQIEISA-N 0 3 266.341 1.578 20 10 CDCDHN CCN(C)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182463756 365128325 /nfs/dbraw/zinc/12/83/25/365128325.db2.gz YCFMUMVDMLPNTN-SNVBAGLBSA-N 0 3 266.341 1.530 20 10 CDCDHN COC[C@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])OC ZINC000272642338 365333704 /nfs/dbraw/zinc/33/37/04/365333704.db2.gz CTLWSXAPZKEXJV-ZDUSSCGKSA-N 0 3 253.342 1.760 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1C ZINC000273578098 365508232 /nfs/dbraw/zinc/50/82/32/365508232.db2.gz MDVGDMLHNYJAIR-VXGBXAGGSA-N 0 3 262.353 1.890 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000293754888 378589431 /nfs/dbraw/zinc/58/94/31/378589431.db2.gz OLUCFPSKDUFODE-RYUDHWBXSA-N 0 3 262.353 1.890 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)CC2 ZINC000296444658 378720856 /nfs/dbraw/zinc/72/08/56/378720856.db2.gz MUULYGPEWLEGFQ-MELADBBJSA-N 0 3 277.364 1.614 20 10 CDCDHN CN(C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000133554757 390936641 /nfs/dbraw/zinc/93/66/41/390936641.db2.gz KENSNULCEINFAJ-UHFFFAOYSA-N 0 3 290.411 1.430 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000093414529 390902356 /nfs/dbraw/zinc/90/23/56/390902356.db2.gz NJVDBRLGIHXLGA-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000093414529 390902357 /nfs/dbraw/zinc/90/23/57/390902357.db2.gz NJVDBRLGIHXLGA-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(CN2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000133611218 390903924 /nfs/dbraw/zinc/90/39/24/390903924.db2.gz AAKKBPGPOFNXDQ-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@H](OCCO)C2)cc1 ZINC000179569840 391211394 /nfs/dbraw/zinc/21/13/94/391211394.db2.gz JTXUEGCRGYKBBP-MRXNPFEDSA-N 0 3 278.396 1.726 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)[C@@H](CO)SC)c1[O-] ZINC000152486780 392385014 /nfs/dbraw/zinc/38/50/14/392385014.db2.gz AIPRDVJCJDGSGZ-ZWNOBZJWSA-N 0 3 285.409 1.993 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCOCCO)CC2 ZINC000296273067 304825886 /nfs/dbraw/zinc/82/58/86/304825886.db2.gz CIDGNUGTACHXTB-LBPRGKRZSA-N 0 3 251.326 1.368 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125291 171008559 /nfs/dbraw/zinc/00/85/59/171008559.db2.gz LWUNMODWZCAITO-LLVKDONJSA-N 0 3 280.368 1.824 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000020141748 171028626 /nfs/dbraw/zinc/02/86/26/171028626.db2.gz NHHWEIJPOUDSOR-ZDUSSCGKSA-N 0 3 294.395 1.774 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000038060607 174071500 /nfs/dbraw/zinc/07/15/00/174071500.db2.gz RLFHSVPDHPZQPY-NWDGAFQWSA-N 0 3 251.326 1.767 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082859 174091673 /nfs/dbraw/zinc/09/16/73/174091673.db2.gz QADMBKSMOCYTPS-YPMHNXCESA-N 0 3 283.393 1.868 20 10 CDCDHN CCN(C)C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000153450584 261078360 /nfs/dbraw/zinc/07/83/60/261078360.db2.gz YRENELOFFKBRLI-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN CCN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000153450584 261078361 /nfs/dbraw/zinc/07/83/61/261078361.db2.gz YRENELOFFKBRLI-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN CN(CCN1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000163368990 261313583 /nfs/dbraw/zinc/31/35/83/261313583.db2.gz NIJJWBDUVNSOBC-UHFFFAOYSA-N 0 3 277.412 1.517 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000184710582 262295661 /nfs/dbraw/zinc/29/56/61/262295661.db2.gz LGRBPFKFAWODMV-ZDUSSCGKSA-N 0 3 287.743 1.295 20 10 CDCDHN COc1c([O-])c(C[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000289875050 263112558 /nfs/dbraw/zinc/11/25/58/263112558.db2.gz RNUGZPMCOBEXHZ-UHFFFAOYSA-N 0 3 283.328 1.302 20 10 CDCDHN COc1c([O-])c(C[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000289875050 263112559 /nfs/dbraw/zinc/11/25/59/263112559.db2.gz RNUGZPMCOBEXHZ-UHFFFAOYSA-N 0 3 283.328 1.302 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000185364147 327838610 /nfs/dbraw/zinc/83/86/10/327838610.db2.gz RNCZTBBHTJNPRB-LSDHHAIUSA-N 0 3 291.439 1.987 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCSC1)OCO2 ZINC000230704281 329372029 /nfs/dbraw/zinc/37/20/29/329372029.db2.gz YYDHWNXOPXZJRX-SECBINFHSA-N 0 3 253.323 1.716 20 10 CDCDHN CN(C)C/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000491935878 332375973 /nfs/dbraw/zinc/37/59/73/332375973.db2.gz GHJGGAADKRSFIO-WAYWQWQTSA-N 0 3 289.379 1.596 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272626520 1161166480 /nfs/dbraw/zinc/16/64/80/1161166480.db2.gz ZTFZKTMNFIRJDC-MRXNPFEDSA-N 0 3 290.363 1.455 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272626520 1161166482 /nfs/dbraw/zinc/16/64/82/1161166482.db2.gz ZTFZKTMNFIRJDC-MRXNPFEDSA-N 0 3 290.363 1.455 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@@H](O)COC)c([O-])c1 ZINC000117946865 520365773 /nfs/dbraw/zinc/36/57/73/520365773.db2.gz YGFAIJUHFJYRFO-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](CC)C(N)=O ZINC000076074298 521690482 /nfs/dbraw/zinc/69/04/82/521690482.db2.gz INRFVUMHANGXII-GFCCVEGCSA-N 0 3 250.342 1.868 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](CC)C(N)=O ZINC000076074298 521690485 /nfs/dbraw/zinc/69/04/85/521690485.db2.gz INRFVUMHANGXII-GFCCVEGCSA-N 0 3 250.342 1.868 20 10 CDCDHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187041844 519678226 /nfs/dbraw/zinc/67/82/26/519678226.db2.gz PKSDQSMLVISTKE-GFCCVEGCSA-N 0 3 292.379 1.948 20 10 CDCDHN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187041844 519678228 /nfs/dbraw/zinc/67/82/28/519678228.db2.gz PKSDQSMLVISTKE-GFCCVEGCSA-N 0 3 292.379 1.948 20 10 CDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236946190 522367760 /nfs/dbraw/zinc/36/77/60/522367760.db2.gz FGPGNGLXUGDNDR-YGRLFVJLSA-N 0 3 281.375 1.881 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000228094688 524433994 /nfs/dbraw/zinc/43/39/94/524433994.db2.gz PQGPFXGZAAQNJY-SMDDNHRTSA-N 0 3 251.326 1.330 20 10 CDCDHN C[C@@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000129559265 525882383 /nfs/dbraw/zinc/88/23/83/525882383.db2.gz RXDVZDYVTWPAFX-CQSZACIVSA-N 0 3 265.309 1.468 20 10 CDCDHN C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000129559265 525882390 /nfs/dbraw/zinc/88/23/90/525882390.db2.gz RXDVZDYVTWPAFX-CQSZACIVSA-N 0 3 265.309 1.468 20 10 CDCDHN C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000129559265 525882403 /nfs/dbraw/zinc/88/24/03/525882403.db2.gz RXDVZDYVTWPAFX-CQSZACIVSA-N 0 3 265.309 1.468 20 10 CDCDHN O=C(NCc1ccccc1O)NC1CCN(C2CC2)CC1 ZINC000299485285 526753645 /nfs/dbraw/zinc/75/36/45/526753645.db2.gz ICBRBMIMDNHNJC-UHFFFAOYSA-N 0 3 289.379 1.818 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCOCCO)C[C@H]1CCCO1 ZINC000265809856 527557013 /nfs/dbraw/zinc/55/70/13/527557013.db2.gz PTFAONQCLRBTMD-OAHLLOKOSA-N 0 3 295.379 1.382 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCOCCO)C[C@H]1CCCO1 ZINC000265809856 527557016 /nfs/dbraw/zinc/55/70/16/527557016.db2.gz PTFAONQCLRBTMD-OAHLLOKOSA-N 0 3 295.379 1.382 20 10 CDCDHN NC(=O)Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000727470851 574584793 /nfs/dbraw/zinc/58/47/93/574584793.db2.gz PEVSEGTWCXLSAZ-UHFFFAOYSA-N 0 3 296.370 1.939 20 10 CDCDHN C[NH+](C)[C@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732274761 575085607 /nfs/dbraw/zinc/08/56/07/575085607.db2.gz YSYOGLZEYICZEX-SNVBAGLBSA-N 0 3 254.355 1.524 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)C(C)C ZINC000732817753 575097406 /nfs/dbraw/zinc/09/74/06/575097406.db2.gz KCXZSIIQTFYXEM-AWEZNQCLSA-N 0 3 253.342 1.897 20 10 CDCDHN COC(=O)C[C@@]1(NCc2cccc(OC)c2O)CCOC1 ZINC000766470291 576104972 /nfs/dbraw/zinc/10/49/72/576104972.db2.gz SUFRXDWDJSFKKD-HNNXBMFYSA-N 0 3 295.335 1.213 20 10 CDCDHN COC(C)(C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463055 576287260 /nfs/dbraw/zinc/28/72/60/576287260.db2.gz FLXSYLQFQWXTIR-ZDUSSCGKSA-N 0 3 281.352 1.675 20 10 CDCDHN COC(C)(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463055 576287262 /nfs/dbraw/zinc/28/72/62/576287262.db2.gz FLXSYLQFQWXTIR-ZDUSSCGKSA-N 0 3 281.352 1.675 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c([O-])c1C ZINC000756662263 576999142 /nfs/dbraw/zinc/99/91/42/576999142.db2.gz ZNHIRPAPSPTUMK-GXSJLCMTSA-N 0 3 250.342 1.924 20 10 CDCDHN COc1ccc(CN[C@@H](C)c2cnn(C)c2)c(O)c1OC ZINC000893031697 618078115 /nfs/dbraw/zinc/07/81/15/618078115.db2.gz DSOUCQMPPCFVKI-JTQLQIEISA-N 0 3 291.351 1.994 20 10 CDCDHN COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccccc2O)C1(F)F ZINC000893961288 618208896 /nfs/dbraw/zinc/20/88/96/618208896.db2.gz DVPTYCJDCXMGGL-PWSUYJOCSA-N 0 3 285.290 1.878 20 10 CDCDHN CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894278959 618433212 /nfs/dbraw/zinc/43/32/12/618433212.db2.gz ZRQFEINWTWZBLL-ZDUSSCGKSA-N 0 3 280.372 1.216 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057109 618691362 /nfs/dbraw/zinc/69/13/62/618691362.db2.gz BEYFKKPAIHRKSQ-NXEZZACHSA-N 0 3 295.339 1.478 20 10 CDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000843298292 618701778 /nfs/dbraw/zinc/70/17/78/618701778.db2.gz LXQWZDBWGMRCHE-CYBMUJFWSA-N 0 3 291.395 1.484 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1F ZINC000895332193 619578296 /nfs/dbraw/zinc/57/82/96/619578296.db2.gz SFXVSDQDHRJMHX-SWLSCSKDSA-N 0 3 282.359 1.209 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001170512503 1162710621 /nfs/dbraw/zinc/71/06/21/1162710621.db2.gz PHGGEVOBMKPYPA-KOLCDFICSA-N 0 3 265.309 1.529 20 10 CDCDHN COCC[NH+](CCOC)Cc1ccc(OC)cc1[O-] ZINC000133421160 1175805181 /nfs/dbraw/zinc/80/51/81/1175805181.db2.gz WXDNABPIWFMEHT-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN CCc1nn(C)cc1CNCc1cccc(OC)c1O ZINC000157936056 730513740 /nfs/dbraw/zinc/51/37/40/730513740.db2.gz ZJKQORIBJYWQQL-UHFFFAOYSA-N 0 3 275.352 1.987 20 10 CDCDHN Cc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)c([O-])c1 ZINC000877613826 730768862 /nfs/dbraw/zinc/76/88/62/730768862.db2.gz CEVCFVJVYOZFNE-OAHLLOKOSA-N 0 3 265.353 1.722 20 10 CDCDHN C[NH2+]C[C@@H](C)NCc1cc(Br)ccc1[O-] ZINC000853249655 730891429 /nfs/dbraw/zinc/89/14/29/730891429.db2.gz SPHVMPIFKRSVLB-MRVPVSSYSA-N 0 3 273.174 1.852 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@H]1CO ZINC000877645005 730948019 /nfs/dbraw/zinc/94/80/19/730948019.db2.gz XWTCEPIDJBJDIX-INIZCTEOSA-N 0 3 277.412 1.169 20 10 CDCDHN COc1ccc(CNC[C@H]2CCCS2(=O)=O)cc1C ZINC000212583936 731099513 /nfs/dbraw/zinc/09/95/13/731099513.db2.gz JCZVUFFNEKIHTH-CYBMUJFWSA-N 0 3 283.393 1.670 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834903914 731150938 /nfs/dbraw/zinc/15/09/38/731150938.db2.gz LJBSXDOYOOYIIW-YRGRVCCFSA-N 0 3 263.337 1.773 20 10 CDCDHN CSC[C@@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877050784 731217580 /nfs/dbraw/zinc/21/75/80/731217580.db2.gz DSDHJVGRSIIPPJ-LLVKDONJSA-N 0 3 255.383 1.904 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccon2)c1 ZINC000775372643 731251386 /nfs/dbraw/zinc/25/13/86/731251386.db2.gz DYVDVLMHTYPDRH-VIFPVBQESA-N 0 3 291.307 1.678 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843355823 731278292 /nfs/dbraw/zinc/27/82/92/731278292.db2.gz KAIJUPWUNOOGLS-XPTSAGLGSA-N 0 3 296.342 1.282 20 10 CDCDHN COCC1(O)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876749556 731454272 /nfs/dbraw/zinc/45/42/72/731454272.db2.gz MBSJBVYDZYTOBD-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)N)cc1 ZINC000826020647 731567269 /nfs/dbraw/zinc/56/72/69/731567269.db2.gz VQUCHHYJDOGOBC-GFCCVEGCSA-N 0 3 263.385 1.838 20 10 CDCDHN CCN(C)c1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1 ZINC000815108530 731569269 /nfs/dbraw/zinc/56/92/69/731569269.db2.gz YXZQBGLJRWGSMQ-IUODEOHRSA-N 0 3 275.396 1.757 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@]1(O)CCCOC1)CC2 ZINC000846211025 731659816 /nfs/dbraw/zinc/65/98/16/731659816.db2.gz FLPCSTGFJURHRV-XJKSGUPXSA-N 0 3 277.364 1.901 20 10 CDCDHN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000783507664 731705800 /nfs/dbraw/zinc/70/58/00/731705800.db2.gz DJLPPFWOJDRNIF-OLZOCXBDSA-N 0 3 264.369 1.764 20 10 CDCDHN CCNC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877085576 731752971 /nfs/dbraw/zinc/75/29/71/731752971.db2.gz KRQMZBFNCKVEKT-LBPRGKRZSA-N 0 3 277.368 1.594 20 10 CDCDHN Cc1ccc(C(=O)N(C)CCN2CCCCC2)c(O)c1O ZINC000846615022 731859221 /nfs/dbraw/zinc/85/92/21/731859221.db2.gz WDALDNQLDLYQGX-UHFFFAOYSA-N 0 3 292.379 1.964 20 10 CDCDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NC ZINC000825315829 732070575 /nfs/dbraw/zinc/07/05/75/732070575.db2.gz GVULRHPJPHNDRN-HNNXBMFYSA-N 0 3 291.395 1.137 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000877516016 732588276 /nfs/dbraw/zinc/58/82/76/732588276.db2.gz ARWSHCVQAOHUAI-CABCVRRESA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000877516016 732588285 /nfs/dbraw/zinc/58/82/85/732588285.db2.gz ARWSHCVQAOHUAI-CABCVRRESA-N 0 3 290.407 1.996 20 10 CDCDHN CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000812394667 732612727 /nfs/dbraw/zinc/61/27/27/732612727.db2.gz UYOIHYFYBOFDPM-NSHDSACASA-N 0 3 280.368 1.948 20 10 CDCDHN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000812394667 732612730 /nfs/dbraw/zinc/61/27/30/732612730.db2.gz UYOIHYFYBOFDPM-NSHDSACASA-N 0 3 280.368 1.948 20 10 CDCDHN O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]2N1 ZINC000827132758 732618797 /nfs/dbraw/zinc/61/87/97/732618797.db2.gz OFIFAWZOQHSRKG-GXFFZTMASA-N 0 3 278.327 1.632 20 10 CDCDHN O=C1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]2N1 ZINC000827132758 732618798 /nfs/dbraw/zinc/61/87/98/732618798.db2.gz OFIFAWZOQHSRKG-GXFFZTMASA-N 0 3 278.327 1.632 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC2(O)CCOCC2)c([O-])c1 ZINC000783715642 732744949 /nfs/dbraw/zinc/74/49/49/732744949.db2.gz NRLXRDLYWLIUTE-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC2(O)CCOCC2)c([O-])c1 ZINC000783715642 732744957 /nfs/dbraw/zinc/74/49/57/732744957.db2.gz NRLXRDLYWLIUTE-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[O-] ZINC000843124106 732898122 /nfs/dbraw/zinc/89/81/22/732898122.db2.gz VEDKUIBFPXZEPK-GFCCVEGCSA-N 0 3 298.770 1.383 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841752217 733123304 /nfs/dbraw/zinc/12/33/04/733123304.db2.gz NBITWEQFAKIDFJ-IINYFYTJSA-N 0 3 284.787 1.763 20 10 CDCDHN CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272619635 914191804 /nfs/dbraw/zinc/19/18/04/914191804.db2.gz XIRINVWDJBERJU-OAHLLOKOSA-N 0 3 260.337 1.589 20 10 CDCDHN CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272619635 914191814 /nfs/dbraw/zinc/19/18/14/914191814.db2.gz XIRINVWDJBERJU-OAHLLOKOSA-N 0 3 260.337 1.589 20 10 CDCDHN CN(C)c1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000237082582 901987464 /nfs/dbraw/zinc/98/74/64/901987464.db2.gz WFBVNJSNUJQRDR-OAHLLOKOSA-N 0 3 291.395 1.137 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)C)c1 ZINC000037225383 910623731 /nfs/dbraw/zinc/62/37/31/910623731.db2.gz QDGONNPGLONBHT-VIFPVBQESA-N 0 3 252.314 1.140 20 10 CDCDHN CN1CCN(c2ccc(CN3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001139410948 936618211 /nfs/dbraw/zinc/61/82/11/936618211.db2.gz NBWRITQKURFQRG-SJORKVTESA-N 0 3 287.407 1.412 20 10 CDCDHN CN1CC2(C1)CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140060037 936675416 /nfs/dbraw/zinc/67/54/16/936675416.db2.gz HSVWEYZTZDKEEW-UHFFFAOYSA-N 0 3 250.317 1.669 20 10 CDCDHN CN1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140060037 936675418 /nfs/dbraw/zinc/67/54/18/936675418.db2.gz HSVWEYZTZDKEEW-UHFFFAOYSA-N 0 3 250.317 1.669 20 10 CDCDHN C[NH2+][C@H](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325743052 922467258 /nfs/dbraw/zinc/46/72/58/922467258.db2.gz ITSKDHCZFLZOAH-ZJUUUORDSA-N 0 3 267.329 1.949 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031789 936795884 /nfs/dbraw/zinc/79/58/84/936795884.db2.gz LOFZORUTUUMHEN-TVQRCGJNSA-N 0 3 267.325 1.222 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031789 936795886 /nfs/dbraw/zinc/79/58/86/936795886.db2.gz LOFZORUTUUMHEN-TVQRCGJNSA-N 0 3 267.325 1.222 20 10 CDCDHN C[NH+](C)CCCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137838698 923040445 /nfs/dbraw/zinc/04/04/45/923040445.db2.gz HXQKJSARDMPNHT-UHFFFAOYSA-N 0 3 295.402 1.601 20 10 CDCDHN CCCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160429 936822453 /nfs/dbraw/zinc/82/24/53/936822453.db2.gz YHMMFVTZJSJCLQ-UHFFFAOYSA-N 0 3 250.342 1.625 20 10 CDCDHN Oc1ccc(O)c(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001141160630 936822777 /nfs/dbraw/zinc/82/27/77/936822777.db2.gz GAUGTGNKEHAUKK-PHIMTYICSA-N 0 3 285.290 1.811 20 10 CDCDHN CN1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524714 937027428 /nfs/dbraw/zinc/02/74/28/937027428.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 0 3 256.296 1.806 20 10 CDCDHN CN1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524714 937027430 /nfs/dbraw/zinc/02/74/30/937027430.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 0 3 256.296 1.806 20 10 CDCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@H+](C)C1 ZINC001142524714 937027434 /nfs/dbraw/zinc/02/74/34/937027434.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 0 3 256.296 1.806 20 10 CDCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@@H+](C)C1 ZINC001142524714 937027435 /nfs/dbraw/zinc/02/74/35/937027435.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 0 3 256.296 1.806 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])S(C)(=O)=O ZINC000697619652 937284523 /nfs/dbraw/zinc/28/45/23/937284523.db2.gz FJFMZESZXUCJSY-ZJUUUORDSA-N 0 3 257.355 1.476 20 10 CDCDHN COC(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000884485323 930582570 /nfs/dbraw/zinc/58/25/70/930582570.db2.gz UIXBORTXYRIHAO-AWEZNQCLSA-N 0 3 290.363 1.811 20 10 CDCDHN Oc1ccccc1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275266992 931718956 /nfs/dbraw/zinc/71/89/56/931718956.db2.gz HWBWJWZBUPASRA-UHFFFAOYSA-N 0 3 284.363 1.433 20 10 CDCDHN CC[C@@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144514973 931879539 /nfs/dbraw/zinc/87/95/39/931879539.db2.gz ZVCSHIOAEDRQRJ-SECBINFHSA-N 0 3 253.298 1.414 20 10 CDCDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000934945181 934003690 /nfs/dbraw/zinc/00/36/90/934003690.db2.gz XHRDBABSCSTUNH-GFCCVEGCSA-N 0 3 278.352 1.587 20 10 CDCDHN CN(C)C(=O)CC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278262 939751342 /nfs/dbraw/zinc/75/13/42/939751342.db2.gz CCAFZNMDDDJIPO-UHFFFAOYSA-N 0 3 252.314 1.008 20 10 CDCDHN CN(C)C(=O)CC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278262 939751343 /nfs/dbraw/zinc/75/13/43/939751343.db2.gz CCAFZNMDDDJIPO-UHFFFAOYSA-N 0 3 252.314 1.008 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204351527 939759982 /nfs/dbraw/zinc/75/99/82/939759982.db2.gz UHHARNANVLCJPP-LLVKDONJSA-N 0 3 280.368 1.632 20 10 CDCDHN [NH3+][C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109738 939823335 /nfs/dbraw/zinc/82/33/35/939823335.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 0 3 256.296 1.984 20 10 CDCDHN [NH3+][C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205110514 939824278 /nfs/dbraw/zinc/82/42/78/939824278.db2.gz UQNHELRQLYZKAM-GFCCVEGCSA-N 0 3 264.325 1.404 20 10 CDCDHN [NH3+][C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205110514 939824280 /nfs/dbraw/zinc/82/42/80/939824280.db2.gz UQNHELRQLYZKAM-GFCCVEGCSA-N 0 3 264.325 1.404 20 10 CDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277569038 943019060 /nfs/dbraw/zinc/01/90/60/943019060.db2.gz SSZLTOMTRVJUFJ-CYBMUJFWSA-N 0 3 274.364 1.611 20 10 CDCDHN Oc1cc(O)c(CN2CCC(n3cnnc3)CC2)cc1O ZINC001233486377 943593920 /nfs/dbraw/zinc/59/39/20/943593920.db2.gz KZQGEMFXMLYJLY-UHFFFAOYSA-N 0 3 290.323 1.232 20 10 CDCDHN CC(C)c1ccc(C[N@H+](C)C[C@@H](O)CO)c([O-])c1 ZINC001237048138 944645377 /nfs/dbraw/zinc/64/53/77/944645377.db2.gz AXYFNVDQYMYCNJ-CYBMUJFWSA-N 0 3 253.342 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)CO)c([O-])c1 ZINC001237048138 944645387 /nfs/dbraw/zinc/64/53/87/944645387.db2.gz AXYFNVDQYMYCNJ-CYBMUJFWSA-N 0 3 253.342 1.301 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001237053925 944649241 /nfs/dbraw/zinc/64/92/41/944649241.db2.gz RFDZQGNUUWIOCX-CYBMUJFWSA-N 0 3 262.353 1.823 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001237053925 944649242 /nfs/dbraw/zinc/64/92/42/944649242.db2.gz RFDZQGNUUWIOCX-CYBMUJFWSA-N 0 3 262.353 1.823 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001238071664 945052744 /nfs/dbraw/zinc/05/27/44/945052744.db2.gz ZAFZKUCFZTTWEY-UHFFFAOYSA-N 0 3 268.332 1.750 20 10 CDCDHN Cc1cc(F)cc(C[N@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001238071664 945052752 /nfs/dbraw/zinc/05/27/52/945052752.db2.gz ZAFZKUCFZTTWEY-UHFFFAOYSA-N 0 3 268.332 1.750 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC001249174092 949438732 /nfs/dbraw/zinc/43/87/32/949438732.db2.gz ZBLDSCWMBJMECY-GFCCVEGCSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC001249174092 949438750 /nfs/dbraw/zinc/43/87/50/949438750.db2.gz ZBLDSCWMBJMECY-GFCCVEGCSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001249178417 949444641 /nfs/dbraw/zinc/44/46/41/949444641.db2.gz RBNJMFMEDMERDF-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001249178417 949444658 /nfs/dbraw/zinc/44/46/58/949444658.db2.gz RBNJMFMEDMERDF-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])CC(C)(C)O ZINC001249207332 949460645 /nfs/dbraw/zinc/46/06/45/949460645.db2.gz BVVUVRCQMVWDEX-UHFFFAOYSA-N 0 3 295.379 1.701 20 10 CDCDHN CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])CC(C)(C)O ZINC001249207332 949460657 /nfs/dbraw/zinc/46/06/57/949460657.db2.gz BVVUVRCQMVWDEX-UHFFFAOYSA-N 0 3 295.379 1.701 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccccc1[O-] ZINC001330706364 956580184 /nfs/dbraw/zinc/58/01/84/956580184.db2.gz QGSBLXPMDFXSMK-ZJUUUORDSA-N 0 3 250.298 1.493 20 10 CDCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC001333352701 958277308 /nfs/dbraw/zinc/27/73/08/958277308.db2.gz MRHCDCKLLATHSC-AWEZNQCLSA-N 0 3 286.379 1.803 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179943940 342515122 /nfs/dbraw/zinc/51/51/22/342515122.db2.gz CNGAUWOUOIBTDI-AWEZNQCLSA-N 0 3 280.343 1.438 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179943940 342515123 /nfs/dbraw/zinc/51/51/23/342515123.db2.gz CNGAUWOUOIBTDI-AWEZNQCLSA-N 0 3 280.343 1.438 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179943957 342515161 /nfs/dbraw/zinc/51/51/61/342515161.db2.gz CNGAUWOUOIBTDI-CQSZACIVSA-N 0 3 280.343 1.438 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179943957 342515162 /nfs/dbraw/zinc/51/51/62/342515162.db2.gz CNGAUWOUOIBTDI-CQSZACIVSA-N 0 3 280.343 1.438 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000093840144 260332128 /nfs/dbraw/zinc/33/21/28/260332128.db2.gz IFXYGNOBHLGFQS-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000093840144 260332129 /nfs/dbraw/zinc/33/21/29/260332129.db2.gz IFXYGNOBHLGFQS-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c([O-])c1 ZINC000036793762 356884291 /nfs/dbraw/zinc/88/42/91/356884291.db2.gz DWEHATMDEKGMDI-MNOVXSKESA-N 0 3 250.342 1.828 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000036794789 356884667 /nfs/dbraw/zinc/88/46/67/356884667.db2.gz SYKQWUHCGZPJKY-ZYHUDNBSSA-N 0 3 250.342 1.958 20 10 CDCDHN NC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179870174 357228212 /nfs/dbraw/zinc/22/82/12/357228212.db2.gz GOUBDNLCYBVMPG-UHFFFAOYSA-N 0 3 252.289 1.229 20 10 CDCDHN COC(=O)N1CC(N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000181468635 357350806 /nfs/dbraw/zinc/35/08/06/357350806.db2.gz MEORGDDBQMVMBA-LLVKDONJSA-N 0 3 277.368 1.854 20 10 CDCDHN Cc1cc(CN2CCN(C[C@@H](C)O)CC2)ccc1N(C)C ZINC000294726476 199154069 /nfs/dbraw/zinc/15/40/69/199154069.db2.gz VZOXWFSJOAEDGV-OAHLLOKOSA-N 0 3 291.439 1.559 20 10 CDCDHN CCN(CC)c1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC000294884586 199231764 /nfs/dbraw/zinc/23/17/64/199231764.db2.gz VXOXKZUBIAEISK-INIZCTEOSA-N 0 3 278.396 1.726 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000364513519 358438806 /nfs/dbraw/zinc/43/88/06/358438806.db2.gz UXIMFRXNDMKTBK-HNNXBMFYSA-N 0 3 271.368 1.791 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000091986939 358534790 /nfs/dbraw/zinc/53/47/90/358534790.db2.gz IXMQTGNSTMSYEK-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000091986939 358534795 /nfs/dbraw/zinc/53/47/95/358534795.db2.gz IXMQTGNSTMSYEK-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN CC(C)(O)C1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000297428657 200187403 /nfs/dbraw/zinc/18/74/03/200187403.db2.gz OFFWQWXJFWSZGS-UHFFFAOYSA-N 0 3 265.309 1.324 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297823362 200287053 /nfs/dbraw/zinc/28/70/53/200287053.db2.gz RLNAPYRXOLTZEF-WFASDCNBSA-N 0 3 265.353 1.757 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)N2CCOCC2)c1 ZINC000181232964 365025735 /nfs/dbraw/zinc/02/57/35/365025735.db2.gz ZQTZUOIAPROXSN-GFCCVEGCSA-N 0 3 278.352 1.210 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282325746 367832752 /nfs/dbraw/zinc/83/27/52/367832752.db2.gz LHKBBMCIQJTIJJ-RISCZKNCSA-N 0 3 292.379 1.938 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036933246 260052862 /nfs/dbraw/zinc/05/28/62/260052862.db2.gz DWJRVQMBGSEXHD-OLZOCXBDSA-N 0 3 264.369 1.764 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000120299452 390868018 /nfs/dbraw/zinc/86/80/18/390868018.db2.gz WXMVWTGFIQCAKC-MRXNPFEDSA-N 0 3 276.380 1.744 20 10 CDCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN1CCN(C)CC1 ZINC000183491641 391265683 /nfs/dbraw/zinc/26/56/83/391265683.db2.gz MSVSGAPTXDNGPV-GJZGRUSLSA-N 0 3 291.439 1.926 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000019899920 170911398 /nfs/dbraw/zinc/91/13/98/170911398.db2.gz SVIHVIKTPBTPEO-VHSXEESVSA-N 0 3 255.339 1.230 20 10 CDCDHN CCN(C(=O)c1cccc2c1CCNC2)c1cnn(C)c1 ZINC000662833166 413568554 /nfs/dbraw/zinc/56/85/54/413568554.db2.gz ZVFGNVDPZQKTJO-UHFFFAOYSA-N 0 3 284.363 1.733 20 10 CDCDHN C[C@H](Cn1ccnc1)NCc1ccc2c(c1)CCO2 ZINC000037363573 260094761 /nfs/dbraw/zinc/09/47/61/260094761.db2.gz IRYZOXRVOFPCAY-GFCCVEGCSA-N 0 3 257.337 1.996 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000230663245 262465986 /nfs/dbraw/zinc/46/59/86/262465986.db2.gz YYMAIIZEZUQQON-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000187839695 263270325 /nfs/dbraw/zinc/27/03/25/263270325.db2.gz USEVQYNFGDPVQX-DIFFPNOSSA-N 0 3 255.383 1.899 20 10 CDCDHN CS[C@@H](CO)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000219065423 329144591 /nfs/dbraw/zinc/14/45/91/329144591.db2.gz AKXQTUPCAUHDLY-YGRLFVJLSA-N 0 3 267.394 1.824 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(F)ccc1[O-] ZINC000278730074 327188228 /nfs/dbraw/zinc/18/82/28/327188228.db2.gz JCHNBXYDTOJYLR-PKFCDNJMSA-N 0 3 269.316 1.722 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002559 329264573 /nfs/dbraw/zinc/26/45/73/329264573.db2.gz FWRIRLDZRFLZDE-GFCCVEGCSA-N 0 3 292.379 1.633 20 10 CDCDHN Cc1ccc(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000187530462 329358956 /nfs/dbraw/zinc/35/89/56/329358956.db2.gz RSVPWQSQLDHFSW-HNNXBMFYSA-N 0 3 263.337 1.692 20 10 CDCDHN COC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000278683000 522364918 /nfs/dbraw/zinc/36/49/18/522364918.db2.gz PDVRVVKPHUDCMH-ZBFHGGJFSA-N 0 3 277.364 1.905 20 10 CDCDHN COC(CN(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000188943648 522531428 /nfs/dbraw/zinc/53/14/28/522531428.db2.gz JODWTLHBZFRAQT-UHFFFAOYSA-N 0 3 294.395 1.574 20 10 CDCDHN CC[C@H](N[C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1 ZINC000291998359 522684725 /nfs/dbraw/zinc/68/47/25/522684725.db2.gz XJXGGFXXGQFKOG-FZMZJTMJSA-N 0 3 263.385 1.928 20 10 CDCDHN COC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H]1CCCO1 ZINC000278726652 522750844 /nfs/dbraw/zinc/75/08/44/522750844.db2.gz UAZWACWRSIFOQN-STQMWFEESA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@H](NCc1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000278726652 522750851 /nfs/dbraw/zinc/75/08/51/522750851.db2.gz UAZWACWRSIFOQN-STQMWFEESA-N 0 3 281.352 1.684 20 10 CDCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(C)CC1 ZINC000272366495 523771112 /nfs/dbraw/zinc/77/11/12/523771112.db2.gz CVTYEYILMHWZCV-GQCTYLIASA-N 0 3 290.363 1.664 20 10 CDCDHN Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000131189641 524378291 /nfs/dbraw/zinc/37/82/91/524378291.db2.gz USEVQYNFGDPVQX-PIGZYNQJSA-N 0 3 255.383 1.899 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CC2)c1 ZINC000280917305 524760459 /nfs/dbraw/zinc/76/04/59/524760459.db2.gz HAMVCUHWIREYCE-SNVBAGLBSA-N 0 3 299.392 1.629 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000093502838 525338942 /nfs/dbraw/zinc/33/89/42/525338942.db2.gz ASZDUEKBEHYHQX-UHFFFAOYSA-N 0 3 253.342 1.123 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)CC(C)(CO)CO)c1 ZINC000093502838 525338951 /nfs/dbraw/zinc/33/89/51/525338951.db2.gz ASZDUEKBEHYHQX-UHFFFAOYSA-N 0 3 253.342 1.123 20 10 CDCDHN Cc1cc(O)c(CN2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1C ZINC001600286069 1174438774 /nfs/dbraw/zinc/43/87/74/1174438774.db2.gz JVNDUYKFNJIAJX-CYBMUJFWSA-N 0 3 278.352 1.258 20 10 CDCDHN CCOCc1cc(CNC[C@@](C)(O)COC)ccc1OC ZINC000732672542 575093543 /nfs/dbraw/zinc/09/35/43/575093543.db2.gz REDVGIBMKWYGDS-MRXNPFEDSA-N 0 3 297.395 1.719 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cccc(C)c2[O-])CCCOC1 ZINC000770674791 575484324 /nfs/dbraw/zinc/48/43/24/575484324.db2.gz MKEGMEQYFZGLCR-INIZCTEOSA-N 0 3 293.363 1.903 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768218076 576265107 /nfs/dbraw/zinc/26/51/07/576265107.db2.gz YMYIKFVHAICKFZ-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000769468683 576357096 /nfs/dbraw/zinc/35/70/96/576357096.db2.gz OBJFUSIUXKEOAU-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000769468683 576357097 /nfs/dbraw/zinc/35/70/97/576357097.db2.gz OBJFUSIUXKEOAU-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2CCCN(C)C2=O)c1 ZINC000748242782 576902755 /nfs/dbraw/zinc/90/27/55/576902755.db2.gz QJQVJYWELPNULJ-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000130362145 617464196 /nfs/dbraw/zinc/46/41/96/617464196.db2.gz IDHBERLQCADWCU-CQSZACIVSA-N 0 3 293.436 1.593 20 10 CDCDHN COc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1OC ZINC000891670743 617530955 /nfs/dbraw/zinc/53/09/55/617530955.db2.gz JAUFTBOEUDUTQF-UHFFFAOYSA-N 0 3 296.367 1.353 20 10 CDCDHN CCn1nncc1CNCc1cc(C)cc(OC)c1O ZINC000895389526 619628652 /nfs/dbraw/zinc/62/86/52/619628652.db2.gz PMDHLHFDHYUTEF-UHFFFAOYSA-N 0 3 276.340 1.610 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895785144 619841343 /nfs/dbraw/zinc/84/13/43/619841343.db2.gz RCLDDGDOAHVDMU-WDMOLILDSA-N 0 3 263.337 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895785144 619841346 /nfs/dbraw/zinc/84/13/46/619841346.db2.gz RCLDDGDOAHVDMU-WDMOLILDSA-N 0 3 263.337 1.604 20 10 CDCDHN COc1cc(C)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000895794982 619848902 /nfs/dbraw/zinc/84/89/02/619848902.db2.gz QVZPPOLAHCRLJN-CMPLNLGQSA-N 0 3 299.392 1.232 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793253371 1162405512 /nfs/dbraw/zinc/40/55/12/1162405512.db2.gz ALXXJAVJFZPQER-NSHDSACASA-N 0 3 263.337 1.869 20 10 CDCDHN C[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000037187851 1165762311 /nfs/dbraw/zinc/76/23/11/1165762311.db2.gz HEJFYWYWQDZLSC-AAEUAGOBSA-N 0 3 282.409 1.590 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@H](O)C1 ZINC000294666581 1184740392 /nfs/dbraw/zinc/74/03/92/1184740392.db2.gz ANBMBUZEISCTGZ-CYBMUJFWSA-N 0 3 273.332 1.739 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294666581 1184740398 /nfs/dbraw/zinc/74/03/98/1184740398.db2.gz ANBMBUZEISCTGZ-CYBMUJFWSA-N 0 3 273.332 1.739 20 10 CDCDHN CON1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877596524 735536144 /nfs/dbraw/zinc/53/61/44/735536144.db2.gz NQTFNNNWWJESMC-UHFFFAOYSA-N 0 3 250.342 1.816 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@@H](C)[C@H]2C)cc1OC ZINC000775986685 735830461 /nfs/dbraw/zinc/83/04/61/735830461.db2.gz RYAPJMKSKNWKML-NWDGAFQWSA-N 0 3 294.395 1.934 20 10 CDCDHN C[C@H]([NH2+]CCN)c1cc(Br)c(F)cc1[O-] ZINC000817935515 735892873 /nfs/dbraw/zinc/89/28/73/735892873.db2.gz XGYMLXXOIMPMIP-LURJTMIESA-N 0 3 277.137 1.903 20 10 CDCDHN C[C@H](NCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817935515 735892879 /nfs/dbraw/zinc/89/28/79/735892879.db2.gz XGYMLXXOIMPMIP-LURJTMIESA-N 0 3 277.137 1.903 20 10 CDCDHN CCN1C[C@@H](C[NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000846092527 736040248 /nfs/dbraw/zinc/04/02/48/736040248.db2.gz FHVKDJDOJONSGR-LLVKDONJSA-N 0 3 278.352 1.359 20 10 CDCDHN C[C@@H](NC(=O)c1cc([O-])cs1)C1=CC[N@H+](C)CC1 ZINC000831937142 736198869 /nfs/dbraw/zinc/19/88/69/736198869.db2.gz RCOVCTUIPKGLFN-SECBINFHSA-N 0 3 266.366 1.834 20 10 CDCDHN C[C@@H](NC(=O)c1cc([O-])cs1)C1=CC[N@@H+](C)CC1 ZINC000831937142 736198881 /nfs/dbraw/zinc/19/88/81/736198881.db2.gz RCOVCTUIPKGLFN-SECBINFHSA-N 0 3 266.366 1.834 20 10 CDCDHN COC[C@H](CO)NCc1ccc(N(C)C)cc1C ZINC000840940844 736317160 /nfs/dbraw/zinc/31/71/60/736317160.db2.gz HUPRVEARDQORTJ-ZDUSSCGKSA-N 0 3 252.358 1.158 20 10 CDCDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000868366711 736342519 /nfs/dbraw/zinc/34/25/19/736342519.db2.gz VMVDXAJUWPGTDP-VXGBXAGGSA-N 0 3 289.379 1.989 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000840963480 733178347 /nfs/dbraw/zinc/17/83/47/733178347.db2.gz OEDCFEPFQHZCAI-GWCFXTLKSA-N 0 3 269.316 1.408 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000877081632 733226862 /nfs/dbraw/zinc/22/68/62/733226862.db2.gz DYAICGUGOXFIIX-UHFFFAOYSA-N 0 3 283.393 1.615 20 10 CDCDHN CCCN1C[C@@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000817410846 733270059 /nfs/dbraw/zinc/27/00/59/733270059.db2.gz INFOMGDBVFEMAE-GFCCVEGCSA-N 0 3 262.353 1.740 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824559591 733273309 /nfs/dbraw/zinc/27/33/09/733273309.db2.gz VWXMDBREDRUJFZ-CYBMUJFWSA-N 0 3 294.395 1.337 20 10 CDCDHN Cc1ccc(C[NH2+]CCNC(=O)C(C)C)c([O-])c1 ZINC000876891931 733348631 /nfs/dbraw/zinc/34/86/31/733348631.db2.gz HLIFOCNGDJOSKN-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN CN(C)C(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000788021036 733363831 /nfs/dbraw/zinc/36/38/31/733363831.db2.gz WXCLTEPGCORCQI-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN CN(C)C(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000788021036 733363836 /nfs/dbraw/zinc/36/38/36/733363836.db2.gz WXCLTEPGCORCQI-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN COC1CCN(CC[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877158595 733516563 /nfs/dbraw/zinc/51/65/63/733516563.db2.gz VDCMBCDZTKNYMN-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)CCF)c([O-])c1 ZINC000846097246 733556234 /nfs/dbraw/zinc/55/62/34/733556234.db2.gz OILIPPUDNGBCIC-LLVKDONJSA-N 0 3 257.305 1.601 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000228670871 733714150 /nfs/dbraw/zinc/71/41/50/733714150.db2.gz YGHFRAWMUOEYQN-LLVKDONJSA-N 0 3 298.770 1.813 20 10 CDCDHN Cc1nc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886587968 733801696 /nfs/dbraw/zinc/80/16/96/733801696.db2.gz IVNJHJCAIISBBZ-QMMMGPOBSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCS(=O)(=O)C1 ZINC000775393414 733856724 /nfs/dbraw/zinc/85/67/24/733856724.db2.gz LXJFINAZHFAXCB-AWEZNQCLSA-N 0 3 296.436 1.728 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000226586227 733860780 /nfs/dbraw/zinc/86/07/80/733860780.db2.gz JXSCPZNAPMPEFX-SECBINFHSA-N 0 3 253.195 1.544 20 10 CDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841653927 733882990 /nfs/dbraw/zinc/88/29/90/733882990.db2.gz KTBKPURTTPCXBV-QWHCGFSZSA-N 0 3 290.411 1.644 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000817966013 733909041 /nfs/dbraw/zinc/90/90/41/733909041.db2.gz ZEIGGCUPTBHOTR-NOZJJQNGSA-N 0 3 278.352 1.567 20 10 CDCDHN O=C1NCCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000839195605 734002036 /nfs/dbraw/zinc/00/20/36/734002036.db2.gz LLNVVTODQJVMNP-VIFPVBQESA-N 0 3 252.289 1.147 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1 ZINC000708381584 734062283 /nfs/dbraw/zinc/06/22/83/734062283.db2.gz CAWMRDQLMCSEQL-PHIMTYICSA-N 0 3 268.307 1.664 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1 ZINC000708381584 734062287 /nfs/dbraw/zinc/06/22/87/734062287.db2.gz CAWMRDQLMCSEQL-PHIMTYICSA-N 0 3 268.307 1.664 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+](C1CC1)C1CC1)[C@@H](O)CO2 ZINC000863303210 734096365 /nfs/dbraw/zinc/09/63/65/734096365.db2.gz WEHCXPWJXOPAMH-AWEZNQCLSA-N 0 3 261.321 1.945 20 10 CDCDHN COC[C@@H]1CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877549892 734102681 /nfs/dbraw/zinc/10/26/81/734102681.db2.gz JUGRQDDCOVNLTM-INIZCTEOSA-N 0 3 290.407 1.868 20 10 CDCDHN C[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000109771490 734123387 /nfs/dbraw/zinc/12/33/87/734123387.db2.gz PGEHZZHPNBLLPA-UHFFFAOYSA-N 0 3 278.352 1.073 20 10 CDCDHN C[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000109771490 734123388 /nfs/dbraw/zinc/12/33/88/734123388.db2.gz PGEHZZHPNBLLPA-UHFFFAOYSA-N 0 3 278.352 1.073 20 10 CDCDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN)cc1 ZINC000076822619 734234618 /nfs/dbraw/zinc/23/46/18/734234618.db2.gz KMSMTFBEFHCDPH-OAHLLOKOSA-N 0 3 291.395 1.219 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@@H](O)CO2 ZINC000842624677 734333375 /nfs/dbraw/zinc/33/33/75/734333375.db2.gz GLKGBWJNEHJZPV-ONERCXAPSA-N 0 3 291.347 1.429 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@@H](O)CO2 ZINC000842624677 734333378 /nfs/dbraw/zinc/33/33/78/734333378.db2.gz GLKGBWJNEHJZPV-ONERCXAPSA-N 0 3 291.347 1.429 20 10 CDCDHN CCN1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000391601852 734354965 /nfs/dbraw/zinc/35/49/65/734354965.db2.gz JZIDJKZCSZKRHZ-NSHDSACASA-N 0 3 252.289 1.242 20 10 CDCDHN C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000927083098 734371289 /nfs/dbraw/zinc/37/12/89/734371289.db2.gz DRYVCYSETSYAMK-NEPJUHHUSA-N 0 3 251.326 1.848 20 10 CDCDHN Cc1ccc(C[NH2+]CCCCS(C)(=O)=O)c([O-])c1 ZINC000877598508 734540218 /nfs/dbraw/zinc/54/02/18/734540218.db2.gz OHALJYGAXHXKGZ-UHFFFAOYSA-N 0 3 271.382 1.615 20 10 CDCDHN CCOCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835763 734867132 /nfs/dbraw/zinc/86/71/32/734867132.db2.gz IZWAPHGIRRMMBJ-ZDUSSCGKSA-N 0 3 293.411 1.556 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000827700011 734905668 /nfs/dbraw/zinc/90/56/68/734905668.db2.gz NXJGWVWPNUUKOU-IAQYHMDHSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000827700011 734905672 /nfs/dbraw/zinc/90/56/72/734905672.db2.gz NXJGWVWPNUUKOU-IAQYHMDHSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000788536527 734919519 /nfs/dbraw/zinc/91/95/19/734919519.db2.gz PUEFYAHZRJNOHT-HZMBPMFUSA-N 0 3 267.325 1.030 20 10 CDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877049978 735010723 /nfs/dbraw/zinc/01/07/23/735010723.db2.gz WMLSAADOCAYHRS-ZWNOBZJWSA-N 0 3 255.383 1.903 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816666299 735017252 /nfs/dbraw/zinc/01/72/52/735017252.db2.gz JOUHYNFRHLETKZ-HOTGVXAUSA-N 0 3 295.354 1.941 20 10 CDCDHN C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000179893961 735236176 /nfs/dbraw/zinc/23/61/76/735236176.db2.gz REFMSUHUKIKIIN-NSHDSACASA-N 0 3 283.393 1.868 20 10 CDCDHN C[C@@H](C[NH3+])N(C)Cc1cc(Br)ccc1[O-] ZINC000382973064 735673290 /nfs/dbraw/zinc/67/32/90/735673290.db2.gz MFBSTAHAONDGSK-QMMMGPOBSA-N 0 3 273.174 1.934 20 10 CDCDHN COc1cccc(O)c1CNCC1(S(C)(=O)=O)CCC1 ZINC000793279770 735885197 /nfs/dbraw/zinc/88/51/97/735885197.db2.gz IDBQHTSYOXDIOI-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000793279770 735885200 /nfs/dbraw/zinc/88/52/00/735885200.db2.gz IDBQHTSYOXDIOI-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000799347938 736202042 /nfs/dbraw/zinc/20/20/42/736202042.db2.gz SLHAOQYWFPRMDX-YGRLFVJLSA-N 0 3 278.352 1.405 20 10 CDCDHN COCCNCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178711120 736202409 /nfs/dbraw/zinc/20/24/09/736202409.db2.gz QAELJNFBASYATA-UHFFFAOYSA-N 0 3 291.395 1.139 20 10 CDCDHN Cc1ccc(C)c(CN2CC[C@@](F)(CO)C2)c1O ZINC001140178768 895201411 /nfs/dbraw/zinc/20/14/11/895201411.db2.gz XEDMFYYOASJXTD-AWEZNQCLSA-N 0 3 253.317 1.915 20 10 CDCDHN COc1cccc(CN2CCC[C@]23CCN(C)C3=O)c1O ZINC001272625833 914208173 /nfs/dbraw/zinc/20/81/73/914208173.db2.gz OUDUDMKFCNCDJS-MRXNPFEDSA-N 0 3 290.363 1.598 20 10 CDCDHN CCN1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001172025370 911134386 /nfs/dbraw/zinc/13/43/86/911134386.db2.gz FZRGFKTVDMEHJU-LLVKDONJSA-N 0 3 264.325 1.198 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027178 911136215 /nfs/dbraw/zinc/13/62/15/911136215.db2.gz VIDRWLAEBWLMDK-CQSZACIVSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027178 911136222 /nfs/dbraw/zinc/13/62/22/911136222.db2.gz VIDRWLAEBWLMDK-CQSZACIVSA-N 0 3 274.364 1.977 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Cl ZINC001206433138 916654526 /nfs/dbraw/zinc/65/45/26/916654526.db2.gz DFDZCVWRVPLGSF-ZJUUUORDSA-N 0 3 288.750 1.925 20 10 CDCDHN [O-]c1cccc(F)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001137832812 936417521 /nfs/dbraw/zinc/41/75/21/936417521.db2.gz IVNOXYLCPBAGDP-NSHDSACASA-N 0 3 266.316 1.048 20 10 CDCDHN [O-]c1cccc(F)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001137832812 936417523 /nfs/dbraw/zinc/41/75/23/936417523.db2.gz IVNOXYLCPBAGDP-NSHDSACASA-N 0 3 266.316 1.048 20 10 CDCDHN O=C1COCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560898 918351239 /nfs/dbraw/zinc/35/12/39/918351239.db2.gz KBPCCBOSJZCSKA-UHFFFAOYSA-N 0 3 290.363 1.215 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c1[O-] ZINC001203585667 919103976 /nfs/dbraw/zinc/10/39/76/919103976.db2.gz ROANJRAWUQCUSZ-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1[O-] ZINC001203585667 919103985 /nfs/dbraw/zinc/10/39/85/919103985.db2.gz ROANJRAWUQCUSZ-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN CN1CCN(CC[N@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466146 936712676 /nfs/dbraw/zinc/71/26/76/936712676.db2.gz YTSKCDFJWHHWLR-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN CN1CCN(CC[N@@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466146 936712678 /nfs/dbraw/zinc/71/26/78/936712678.db2.gz YTSKCDFJWHHWLR-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN COc1cc([O-])c(C[NH+]2CC(C3COC3)C2)c(OC)c1 ZINC001141032325 936795657 /nfs/dbraw/zinc/79/56/57/936795657.db2.gz YILDDJPQRIKAJI-UHFFFAOYSA-N 0 3 279.336 1.488 20 10 CDCDHN COc1cc(O)c(CN2CC(C3COC3)C2)c(OC)c1 ZINC001141032325 936795658 /nfs/dbraw/zinc/79/56/58/936795658.db2.gz YILDDJPQRIKAJI-UHFFFAOYSA-N 0 3 279.336 1.488 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141161246 936822753 /nfs/dbraw/zinc/82/27/53/936822753.db2.gz PVTDWKGLDZYPPG-IMRBUKKESA-N 0 3 277.320 1.339 20 10 CDCDHN Oc1cc(O)c(CN2CCCCC23COC3)c(O)c1 ZINC001144509269 931874184 /nfs/dbraw/zinc/87/41/84/931874184.db2.gz RFNGACVIFKJLHX-UHFFFAOYSA-N 0 3 265.309 1.558 20 10 CDCDHN COc1ccnc(NCCc2cc(O)c(O)cc2O)c1 ZINC001157239475 938468575 /nfs/dbraw/zinc/46/85/75/938468575.db2.gz DEXFKCCDRLREIE-UHFFFAOYSA-N 0 3 276.292 1.862 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)cc3[O-])C[C@@H]21 ZINC001203629098 939698099 /nfs/dbraw/zinc/69/80/99/939698099.db2.gz QTYHSENGLKHJQY-NHAGDIPZSA-N 0 3 291.347 1.642 20 10 CDCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)cc3[O-])C[C@@H]21 ZINC001203629098 939698101 /nfs/dbraw/zinc/69/81/01/939698101.db2.gz QTYHSENGLKHJQY-NHAGDIPZSA-N 0 3 291.347 1.642 20 10 CDCDHN CCN1CCN(Cc2ccc(O)c(O)c2)[C@H](C)C1 ZINC001203883315 939711384 /nfs/dbraw/zinc/71/13/84/939711384.db2.gz HVTOMMDBAOYNQE-LLVKDONJSA-N 0 3 250.342 1.624 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204280599 939752836 /nfs/dbraw/zinc/75/28/36/939752836.db2.gz LGZWERQVMZUVCQ-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204280599 939752838 /nfs/dbraw/zinc/75/28/38/939752838.db2.gz LGZWERQVMZUVCQ-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](O)C1 ZINC001231848961 943028636 /nfs/dbraw/zinc/02/86/36/943028636.db2.gz LWOXVSHHDNNLPG-CYBMUJFWSA-N 0 3 250.342 1.328 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@H]3COCO3)cc2)CC1 ZINC001234658216 943931481 /nfs/dbraw/zinc/93/14/81/943931481.db2.gz XRVAUCZUHBVCID-MRXNPFEDSA-N 0 3 292.379 1.580 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050456 944024236 /nfs/dbraw/zinc/02/42/36/944024236.db2.gz DIPAMIFZVAERRA-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783243 944566938 /nfs/dbraw/zinc/56/69/38/944566938.db2.gz IUHUZUATPSAARO-UONOGXRCSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783243 944566943 /nfs/dbraw/zinc/56/69/43/944566943.db2.gz IUHUZUATPSAARO-UONOGXRCSA-N 0 3 265.353 1.130 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237045911 944645923 /nfs/dbraw/zinc/64/59/23/944645923.db2.gz MWMOHEYTTLXGLQ-HUUCEWRRSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237045911 944645927 /nfs/dbraw/zinc/64/59/27/944645927.db2.gz MWMOHEYTTLXGLQ-HUUCEWRRSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237046631 944646691 /nfs/dbraw/zinc/64/66/91/944646691.db2.gz UFZNGNLUSNZHNP-HOCLYGCPSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237046631 944646694 /nfs/dbraw/zinc/64/66/94/944646694.db2.gz UFZNGNLUSNZHNP-HOCLYGCPSA-N 0 3 279.380 1.691 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001237496398 944817051 /nfs/dbraw/zinc/81/70/51/944817051.db2.gz YLUNUOBHWWTZHN-CYBMUJFWSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001237496398 944817059 /nfs/dbraw/zinc/81/70/59/944817059.db2.gz YLUNUOBHWWTZHN-CYBMUJFWSA-N 0 3 274.364 1.897 20 10 CDCDHN COc1cc(CN2CCC(=O)N(C)CC2)c(O)c(OC)c1 ZINC001237675157 944919958 /nfs/dbraw/zinc/91/99/58/944919958.db2.gz AYBPVMJLWYAECM-UHFFFAOYSA-N 0 3 294.351 1.074 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001257043631 948495792 /nfs/dbraw/zinc/49/57/92/948495792.db2.gz XSQIVPZUDQZQSI-JQWIXIFHSA-N 0 3 279.336 1.919 20 10 CDCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230303 949474231 /nfs/dbraw/zinc/47/42/31/949474231.db2.gz BQSTYAQCEDQVFW-GFCCVEGCSA-N 0 3 293.363 1.361 20 10 CDCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230303 949474243 /nfs/dbraw/zinc/47/42/43/949474243.db2.gz BQSTYAQCEDQVFW-GFCCVEGCSA-N 0 3 293.363 1.361 20 10 CDCDHN COC(=O)[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001252437578 951271070 /nfs/dbraw/zinc/27/10/70/951271070.db2.gz UNRFQWCFWYCYFE-HNNXBMFYSA-N 0 3 292.379 1.300 20 10 CDCDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1 ZINC001327419251 954873565 /nfs/dbraw/zinc/87/35/65/954873565.db2.gz GYRBDHXFWIUWEL-CQSZACIVSA-N 0 3 287.407 1.997 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC001308945766 956602465 /nfs/dbraw/zinc/60/24/65/956602465.db2.gz GFWOOQCEDVCEPP-SMDDNHRTSA-N 0 3 264.369 1.891 20 10 CDCDHN CCCN1CCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001347543237 965582565 /nfs/dbraw/zinc/58/25/65/965582565.db2.gz YYPRWFXQAVAWNH-GFCCVEGCSA-N 0 3 278.352 1.588 20 10 CDCDHN Cc1cccc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000294993517 199288986 /nfs/dbraw/zinc/28/89/86/199288986.db2.gz ZHRVOPJKROEZRG-UHFFFAOYSA-N 0 3 264.369 1.247 20 10 CDCDHN OC[C@@H]1CC[C@H](CNCc2ccc3c(c2)CCO3)O1 ZINC000292622303 198354545 /nfs/dbraw/zinc/35/45/45/198354545.db2.gz IXFOMXUIJCYMOM-KGLIPLIRSA-N 0 3 263.337 1.251 20 10 CDCDHN COc1cccc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000112717356 366126529 /nfs/dbraw/zinc/12/65/29/366126529.db2.gz GUYSHMPNWPLKMJ-UHFFFAOYSA-N 0 3 267.325 1.032 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000179643712 357217826 /nfs/dbraw/zinc/21/78/26/357217826.db2.gz FKWQQJTWYULSQP-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179643712 357217831 /nfs/dbraw/zinc/21/78/31/357217831.db2.gz FKWQQJTWYULSQP-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179643712 357217835 /nfs/dbraw/zinc/21/78/35/357217835.db2.gz FKWQQJTWYULSQP-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000185364193 357536791 /nfs/dbraw/zinc/53/67/91/357536791.db2.gz MHWWTYPFBQYYNT-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccccc1[O-] ZINC000185871484 357587334 /nfs/dbraw/zinc/58/73/34/357587334.db2.gz SVWMWRSWTNYZDF-AWEZNQCLSA-N 0 3 277.412 1.508 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189965058 358046920 /nfs/dbraw/zinc/04/69/20/358046920.db2.gz GOGZXZJZMHLZBR-KBPBESRZSA-N 0 3 281.352 1.658 20 10 CDCDHN CC[C@H](CO)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000294671028 199127784 /nfs/dbraw/zinc/12/77/84/199127784.db2.gz ANGPMQWFLMFKGK-LLVKDONJSA-N 0 3 269.341 1.612 20 10 CDCDHN CC[C@H](CO)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000294671028 199127786 /nfs/dbraw/zinc/12/77/86/199127786.db2.gz ANGPMQWFLMFKGK-LLVKDONJSA-N 0 3 269.341 1.612 20 10 CDCDHN CNC(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273366699 358704606 /nfs/dbraw/zinc/70/46/06/358704606.db2.gz BOFMPIIFMNNPLN-VIFPVBQESA-N 0 3 254.305 1.708 20 10 CDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825812 358733191 /nfs/dbraw/zinc/73/31/91/358733191.db2.gz GZQBENCRHLQLMF-AWEZNQCLSA-N 0 3 263.385 1.742 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c([O-])c1 ZINC000186505501 358801081 /nfs/dbraw/zinc/80/10/81/358801081.db2.gz XYQFXMYYGMCXCA-LLVKDONJSA-N 0 3 262.353 1.877 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000230663361 360336382 /nfs/dbraw/zinc/33/63/82/360336382.db2.gz WGAKKSAYBYWBKG-KOLCDFICSA-N 0 3 257.305 1.579 20 10 CDCDHN CNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271052402 364893532 /nfs/dbraw/zinc/89/35/32/364893532.db2.gz XCMKXCKJIYVPDJ-UHFFFAOYSA-N 0 3 293.386 1.850 20 10 CDCDHN CN1CCN(CC[NH2+]Cc2ccccc2[O-])CC1(C)C ZINC000282431181 367881322 /nfs/dbraw/zinc/88/13/22/367881322.db2.gz RHSMFRMYXGSAQW-UHFFFAOYSA-N 0 3 277.412 1.508 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295950193 371402397 /nfs/dbraw/zinc/40/23/97/371402397.db2.gz LLORSJGAXTVDFU-GFCCVEGCSA-N 0 3 262.353 1.741 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCOCCO)c1 ZINC000186513999 262315751 /nfs/dbraw/zinc/31/57/51/262315751.db2.gz IOXCPLNUZXDEBD-NSHDSACASA-N 0 3 269.341 1.450 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000120306922 390868230 /nfs/dbraw/zinc/86/82/30/390868230.db2.gz HEZVMGVBHSSIOZ-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN COc1ccc(O)c(CN2CCCN(C(C)=O)CC2)c1 ZINC000133279179 390903087 /nfs/dbraw/zinc/90/30/87/390903087.db2.gz YKRZVTIUBGIXNQ-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000122524689 390903222 /nfs/dbraw/zinc/90/32/22/390903222.db2.gz ZWOAFUZSKCXYCJ-UHFFFAOYSA-N 0 3 275.396 1.711 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000093717964 390903833 /nfs/dbraw/zinc/90/38/33/390903833.db2.gz SJOXRPCIRXZXHC-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000093717964 390903835 /nfs/dbraw/zinc/90/38/35/390903835.db2.gz SJOXRPCIRXZXHC-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000177635209 391173091 /nfs/dbraw/zinc/17/30/91/391173091.db2.gz LFZJPWZIYUSGPK-LLVKDONJSA-N 0 3 279.336 1.979 20 10 CDCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000177635209 391173092 /nfs/dbraw/zinc/17/30/92/391173092.db2.gz LFZJPWZIYUSGPK-LLVKDONJSA-N 0 3 279.336 1.979 20 10 CDCDHN CCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000179576139 391212930 /nfs/dbraw/zinc/21/29/30/391212930.db2.gz SCTJYXKDDBSKGR-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN CCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000179576139 391212931 /nfs/dbraw/zinc/21/29/31/391212931.db2.gz SCTJYXKDDBSKGR-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000183496252 391265648 /nfs/dbraw/zinc/26/56/48/391265648.db2.gz GBZVBGLZJFEGNF-UONOGXRCSA-N 0 3 277.412 1.679 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000168191211 391280731 /nfs/dbraw/zinc/28/07/31/391280731.db2.gz YNDLLXRSCJYQTN-HUTHGQBESA-N 0 3 257.355 1.257 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195006891 391374342 /nfs/dbraw/zinc/37/43/42/391374342.db2.gz BGWABKITWHHUSW-ZANVPECISA-N 0 3 264.325 1.015 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1[O-] ZINC000158135309 392421992 /nfs/dbraw/zinc/42/19/92/392421992.db2.gz ZIMBLQLNGZYLDE-CABCVRRESA-N 0 3 276.380 1.653 20 10 CDCDHN CC(C)C(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000037362781 260094992 /nfs/dbraw/zinc/09/49/92/260094992.db2.gz RAGYKEVNCWOLAI-UHFFFAOYSA-N 0 3 262.353 1.483 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1F ZINC000157120389 261140811 /nfs/dbraw/zinc/14/08/11/261140811.db2.gz HUSFYKSUIYAFHW-LLVKDONJSA-N 0 3 265.332 1.199 20 10 CDCDHN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-] ZINC000185214134 262046539 /nfs/dbraw/zinc/04/65/39/262046539.db2.gz HHHAYFLWPGMPNH-LLVKDONJSA-N 0 3 250.342 1.944 20 10 CDCDHN CCOC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000185779863 262070774 /nfs/dbraw/zinc/07/07/74/262070774.db2.gz XWDUCUUMFQSBEG-CQSZACIVSA-N 0 3 290.363 1.942 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000186089405 262079153 /nfs/dbraw/zinc/07/91/53/262079153.db2.gz VKHHEXYKRRDSKY-MWLCHTKSSA-N 0 3 278.327 1.945 20 10 CDCDHN CSCC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000131055832 264365909 /nfs/dbraw/zinc/36/59/09/264365909.db2.gz UPLCCINPHSDSOT-LLVKDONJSA-N 0 3 268.382 1.431 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000371326972 267390035 /nfs/dbraw/zinc/39/00/35/267390035.db2.gz LABQXJVSKQDJTL-RDJZCZTQSA-N 0 3 290.407 1.732 20 10 CDCDHN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168869270 327487800 /nfs/dbraw/zinc/48/78/00/327487800.db2.gz AXZXMKAQIQBIGX-IRWWLHRVSA-N 0 3 259.346 1.949 20 10 CDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219057122 329144630 /nfs/dbraw/zinc/14/46/30/329144630.db2.gz ONVOSZUYPBTACD-GXFFZTMASA-N 0 3 255.383 1.903 20 10 CDCDHN CC[C@@](C)(CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000080886465 330350174 /nfs/dbraw/zinc/35/01/74/330350174.db2.gz MXYLYANQRZKGHO-ZDUSSCGKSA-N 0 3 253.298 1.372 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000136195730 334149416 /nfs/dbraw/zinc/14/94/16/334149416.db2.gz MNMJTQHHFWMVKO-MRXNPFEDSA-N 0 3 275.396 1.901 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000188501324 520201443 /nfs/dbraw/zinc/20/14/43/520201443.db2.gz UDTAXLMLRLNFGU-GHMZBOCLSA-N 0 3 280.368 1.918 20 10 CDCDHN CCOc1cccc(CNCCS(=O)(=O)CC)c1O ZINC000069172933 521365977 /nfs/dbraw/zinc/36/59/77/521365977.db2.gz RECIJVXFINTXCB-UHFFFAOYSA-N 0 3 287.381 1.315 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068801432 522867543 /nfs/dbraw/zinc/86/75/43/522867543.db2.gz SEICTMSSDSEJQC-DZGCQCFKSA-N 0 3 277.412 1.679 20 10 CDCDHN CN(C)C/C=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000265590114 524033943 /nfs/dbraw/zinc/03/39/43/524033943.db2.gz AUUVPNRWCUILRI-AATRIKPKSA-N 0 3 261.369 1.487 20 10 CDCDHN C[C@H](Cn1ccnc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880088 524792742 /nfs/dbraw/zinc/79/27/42/524792742.db2.gz SWZXYVCPMIYEMP-SNVBAGLBSA-N 0 3 275.308 1.496 20 10 CDCDHN Nc1ccc(CCNC(=O)C2(N)CCCCC2)cc1 ZINC000262435689 527479067 /nfs/dbraw/zinc/47/90/67/527479067.db2.gz LLJIJQVIHNKZPH-UHFFFAOYSA-N 0 3 261.369 1.589 20 10 CDCDHN C[C@@H](NC(=S)NCCN(C)C)c1ccc(N(C)C)cc1 ZINC000774252910 575191385 /nfs/dbraw/zinc/19/13/85/575191385.db2.gz XPJGUGQARBNDNT-GFCCVEGCSA-N 0 3 294.468 1.839 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)c([O-])c1 ZINC000769570284 575360963 /nfs/dbraw/zinc/36/09/63/575360963.db2.gz YYTXRNWAVONANB-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)NC)c([O-])c1 ZINC000769570284 575360964 /nfs/dbraw/zinc/36/09/64/575360964.db2.gz YYTXRNWAVONANB-NSHDSACASA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1ccc(CN2CCN(C)CC2)c(O)c1 ZINC000771927713 575637927 /nfs/dbraw/zinc/63/79/27/575637927.db2.gz NBDIWELZKNVVNK-UHFFFAOYSA-N 0 3 250.342 1.538 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000765794794 576056254 /nfs/dbraw/zinc/05/62/54/576056254.db2.gz FQHMYQANNFTFEM-KBPBESRZSA-N 0 3 292.379 1.795 20 10 CDCDHN CCOc1ccc(CN2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC000768336302 576272064 /nfs/dbraw/zinc/27/20/64/576272064.db2.gz ACZZCOHBYBBITO-AWEZNQCLSA-N 0 3 292.379 1.891 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)[C@H](O)CO2 ZINC000768463078 576287282 /nfs/dbraw/zinc/28/72/82/576287282.db2.gz FWSXLVYIZYCDGO-ZBFHGGJFSA-N 0 3 291.347 1.430 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CCOC3)C1)[C@H](O)CO2 ZINC000768463078 576287283 /nfs/dbraw/zinc/28/72/83/576287283.db2.gz FWSXLVYIZYCDGO-ZBFHGGJFSA-N 0 3 291.347 1.430 20 10 CDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1O ZINC000769365137 576348587 /nfs/dbraw/zinc/34/85/87/576348587.db2.gz NGVMZBUNRDBKAJ-TXEJJXNPSA-N 0 3 262.353 1.881 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(OC(C)=O)CC1 ZINC000769427785 576353518 /nfs/dbraw/zinc/35/35/18/576353518.db2.gz XTVXESNMHHQGPJ-UHFFFAOYSA-N 0 3 279.336 1.928 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1C ZINC000762570245 576655300 /nfs/dbraw/zinc/65/53/00/576655300.db2.gz ZPGFBVYLVCVVNY-HNNXBMFYSA-N 0 3 264.369 1.165 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(OC)CCOCC1 ZINC000746755745 576790608 /nfs/dbraw/zinc/79/06/08/576790608.db2.gz TUDKOISDBCKSBG-UHFFFAOYSA-N 0 3 281.352 1.686 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000756616004 576997456 /nfs/dbraw/zinc/99/74/56/576997456.db2.gz YILIXKAAEMIXSN-YMTOWFKASA-N 0 3 279.315 1.649 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000757926497 577061391 /nfs/dbraw/zinc/06/13/91/577061391.db2.gz MAIIHPIALJMDFY-OAHLLOKOSA-N 0 3 281.352 1.758 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1cc(C)ccc1O ZINC000757926497 577061393 /nfs/dbraw/zinc/06/13/93/577061393.db2.gz MAIIHPIALJMDFY-OAHLLOKOSA-N 0 3 281.352 1.758 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)C(F)F)N(C)C)cc1 ZINC000891258418 617392097 /nfs/dbraw/zinc/39/20/97/617392097.db2.gz SFULVGWNXAQVRC-LBPRGKRZSA-N 0 3 285.338 1.737 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000896124651 619996298 /nfs/dbraw/zinc/99/62/98/619996298.db2.gz GXWAZHQSWVKULT-MNOVXSKESA-N 0 3 279.336 1.832 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896960614 620321698 /nfs/dbraw/zinc/32/16/98/620321698.db2.gz NKRCIRCJTQOENL-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896960614 620321699 /nfs/dbraw/zinc/32/16/99/620321699.db2.gz NKRCIRCJTQOENL-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261083 620449745 /nfs/dbraw/zinc/44/97/45/620449745.db2.gz BGVVWCSUEVWJLY-CQSZACIVSA-N 0 3 277.364 1.898 20 10 CDCDHN C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140057706 1158540157 /nfs/dbraw/zinc/54/01/57/1158540157.db2.gz KTUYEFSPYVHERQ-ZIAGYGMSSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140057706 1158540158 /nfs/dbraw/zinc/54/01/58/1158540158.db2.gz KTUYEFSPYVHERQ-ZIAGYGMSSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)CN(Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140057706 1158540161 /nfs/dbraw/zinc/54/01/61/1158540161.db2.gz KTUYEFSPYVHERQ-ZIAGYGMSSA-N 0 3 269.316 1.097 20 10 CDCDHN CCN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC000205362381 1159676093 /nfs/dbraw/zinc/67/60/93/1159676093.db2.gz NIVGKRGVLFDIEF-UHFFFAOYSA-N 0 3 264.369 1.854 20 10 CDCDHN Cc1cc(CN[C@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C ZINC000815106863 738408506 /nfs/dbraw/zinc/40/85/06/738408506.db2.gz BVXPWFLMJQGWAY-XHDPSFHLSA-N 0 3 275.396 1.675 20 10 CDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924216 736445402 /nfs/dbraw/zinc/44/54/02/736445402.db2.gz SZAPMKUPZICXNA-PHIMTYICSA-N 0 3 278.352 1.587 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCSC[C@@H]1CO ZINC000877779906 736546709 /nfs/dbraw/zinc/54/67/09/736546709.db2.gz HXGSTRLQJHGWSH-HNNXBMFYSA-N 0 3 280.437 1.971 20 10 CDCDHN COC(=O)N(C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000850389919 736884582 /nfs/dbraw/zinc/88/45/82/736884582.db2.gz LDUPSILYLMKFBT-UHFFFAOYSA-N 0 3 268.313 1.189 20 10 CDCDHN CCOCc1cc(CNC/C=C\CO)ccc1OC ZINC000850357504 736969032 /nfs/dbraw/zinc/96/90/32/736969032.db2.gz LTZXMKKLMKEVLK-PLNGDYQASA-N 0 3 265.353 1.870 20 10 CDCDHN CNC(=O)[C@@H]1CCCCN1Cc1ccc(C)cc1O ZINC000876584397 737070764 /nfs/dbraw/zinc/07/07/64/737070764.db2.gz WIELGBQPBZXAJK-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCO1 ZINC000877490049 737607545 /nfs/dbraw/zinc/60/75/45/737607545.db2.gz SRNNHEBEILTVOI-UKRRQHHQSA-N 0 3 265.353 1.984 20 10 CDCDHN O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]2N1 ZINC000827141159 737607696 /nfs/dbraw/zinc/60/76/96/737607696.db2.gz PQNNGGNJTLSZJH-DGCLKSJQSA-N 0 3 260.337 1.493 20 10 CDCDHN O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]2N1 ZINC000827141159 737607700 /nfs/dbraw/zinc/60/77/00/737607700.db2.gz PQNNGGNJTLSZJH-DGCLKSJQSA-N 0 3 260.337 1.493 20 10 CDCDHN COC[C@@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649527 737783861 /nfs/dbraw/zinc/78/38/61/737783861.db2.gz VOWBOJSYVOWSCJ-JHJVBQTASA-N 0 3 283.368 1.455 20 10 CDCDHN CCN1C[C@H](NCc2ccc(N(C)C)cc2C)CC1=O ZINC000840950510 737792092 /nfs/dbraw/zinc/79/20/92/737792092.db2.gz LFLUAFQMPZCOPP-CQSZACIVSA-N 0 3 275.396 1.771 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980859 737801129 /nfs/dbraw/zinc/80/11/29/737801129.db2.gz FBOPDOODSKXVCE-ZYHUDNBSSA-N 0 3 295.339 1.330 20 10 CDCDHN COC(=O)N1CC(C)(NCc2cccc(OC)c2O)C1 ZINC000787767283 738518654 /nfs/dbraw/zinc/51/86/54/738518654.db2.gz PIPHMCRDDNYECU-UHFFFAOYSA-N 0 3 280.324 1.331 20 10 CDCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])C[C@H]2CCCCN12 ZINC000835075698 738109627 /nfs/dbraw/zinc/10/96/27/738109627.db2.gz ZOUIASPWPMMKFI-OLZOCXBDSA-N 0 3 260.337 1.635 20 10 CDCDHN CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000391437477 738673573 /nfs/dbraw/zinc/67/35/73/738673573.db2.gz QHTAGJQRDZQSOF-UHFFFAOYSA-N 0 3 257.355 1.305 20 10 CDCDHN CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000858587408 738740868 /nfs/dbraw/zinc/74/08/68/738740868.db2.gz NLJAPNKYKNAZOH-RKDXNWHRSA-N 0 3 270.304 1.590 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000873177365 739074104 /nfs/dbraw/zinc/07/41/04/739074104.db2.gz HXEPUICAAJRGOR-UMSPYCQHSA-N 0 3 251.326 1.651 20 10 CDCDHN CCCNC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876956582 739172274 /nfs/dbraw/zinc/17/22/74/739172274.db2.gz LCXPXNVOKKBQQO-UHFFFAOYSA-N 0 3 250.342 1.707 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(C)C)c1 ZINC000228930268 736398839 /nfs/dbraw/zinc/39/88/39/736398839.db2.gz OFNGBIHDBFKCBL-GHMZBOCLSA-N 0 3 280.368 1.965 20 10 CDCDHN CC[C@@H]([NH3+])CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981148 736552804 /nfs/dbraw/zinc/55/28/04/736552804.db2.gz ZMBZMQCLSDIOMD-RKDXNWHRSA-N 0 3 253.302 1.688 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C1(CO)CCC1 ZINC000827904134 736553479 /nfs/dbraw/zinc/55/34/79/736553479.db2.gz VGDGHOGWZZENLN-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C1(CO)CCC1 ZINC000827904134 736553485 /nfs/dbraw/zinc/55/34/85/736553485.db2.gz VGDGHOGWZZENLN-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000382465260 737375967 /nfs/dbraw/zinc/37/59/67/737375967.db2.gz ZPYSAWYPMNKDII-NSHDSACASA-N 0 3 271.311 1.351 20 10 CDCDHN CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843483822 737493863 /nfs/dbraw/zinc/49/38/63/737493863.db2.gz FKXRDXSPSAKPJB-UONOGXRCSA-N 0 3 292.379 1.637 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382568214 737528199 /nfs/dbraw/zinc/52/81/99/737528199.db2.gz OXWZXBQWGHHBON-BXUZGUMPSA-N 0 3 251.326 1.367 20 10 CDCDHN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([O-])cs3)C[C@@H]2C1 ZINC000812331264 737613661 /nfs/dbraw/zinc/61/36/61/737613661.db2.gz DVHZKRIQVOQQPT-ZJUUUORDSA-N 0 3 266.366 1.477 20 10 CDCDHN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([O-])cs3)C[C@@H]2C1 ZINC000812331264 737613666 /nfs/dbraw/zinc/61/36/66/737613666.db2.gz DVHZKRIQVOQQPT-ZJUUUORDSA-N 0 3 266.366 1.477 20 10 CDCDHN CN1CC[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]2C1 ZINC000812331264 737613671 /nfs/dbraw/zinc/61/36/71/737613671.db2.gz DVHZKRIQVOQQPT-ZJUUUORDSA-N 0 3 266.366 1.477 20 10 CDCDHN O=C(NCCC[NH+]1CCCC1)c1cc([O-])cs1 ZINC000842224734 737670936 /nfs/dbraw/zinc/67/09/36/737670936.db2.gz PFGFPKREEZBJII-UHFFFAOYSA-N 0 3 254.355 1.669 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846112224 738300342 /nfs/dbraw/zinc/30/03/42/738300342.db2.gz YJMSFEIJTUGAGB-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN COC(=O)N1CC(NCc2ccc(C)cc2O)C1 ZINC000877097364 738324053 /nfs/dbraw/zinc/32/40/53/738324053.db2.gz CDHMGRJDFIDVMY-UHFFFAOYSA-N 0 3 250.298 1.241 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC000785985292 738994138 /nfs/dbraw/zinc/99/41/38/738994138.db2.gz UMKCOFSLEHVOLA-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC000785985292 738994141 /nfs/dbraw/zinc/99/41/41/738994141.db2.gz UMKCOFSLEHVOLA-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000775985540 739015618 /nfs/dbraw/zinc/01/56/18/739015618.db2.gz MURKAWZMANLBFC-VXGBXAGGSA-N 0 3 294.395 1.934 20 10 CDCDHN O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617027 739051156 /nfs/dbraw/zinc/05/11/56/739051156.db2.gz HWCJROXEKMIAGW-NSHDSACASA-N 0 3 273.329 1.198 20 10 CDCDHN CC[NH2+]CCCN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610011321 1165183357 /nfs/dbraw/zinc/18/33/57/1165183357.db2.gz PREANFUZEFHMGD-SNVBAGLBSA-N 0 3 266.341 1.741 20 10 CDCDHN CC(C)NC(=O)CNCc1ccc(N2CCCC2)cc1 ZINC000037262757 1165762958 /nfs/dbraw/zinc/76/29/58/1165762958.db2.gz FZERIEOAYYXSDF-UHFFFAOYSA-N 0 3 275.396 1.901 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001236024774 914567102 /nfs/dbraw/zinc/56/71/02/914567102.db2.gz JFMJWFROVAYYOH-ZWNOBZJWSA-N 0 3 297.196 1.996 20 10 CDCDHN Cc1ccc(C[NH2+]CCCN2CCOCC2)c([O-])c1 ZINC000083478844 918496563 /nfs/dbraw/zinc/49/65/63/918496563.db2.gz JIYWSZODHQAGOR-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN CN1CCCc2cc(CN3CC[C@H](CO)[C@@H](O)C3)ccc21 ZINC001138354823 936525331 /nfs/dbraw/zinc/52/53/31/936525331.db2.gz WDMJZEMKKQOSBP-WBVHZDCISA-N 0 3 290.407 1.244 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(O)c(C)c1O ZINC001140749721 936749502 /nfs/dbraw/zinc/74/95/02/936749502.db2.gz KQWQQKZIFIGWHK-LBPRGKRZSA-N 0 3 278.352 1.507 20 10 CDCDHN CC(C)CC[C@@H](N)C(=O)NCc1ccccc1O ZINC000704516271 922883988 /nfs/dbraw/zinc/88/39/88/922883988.db2.gz PWHUPSCVUQBCOA-GFCCVEGCSA-N 0 3 250.342 1.772 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)c(OC)c1 ZINC001141026563 936794311 /nfs/dbraw/zinc/79/43/11/936794311.db2.gz VAFIHKMIHVONIO-CQSZACIVSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)c(OC)c1 ZINC001141026563 936794314 /nfs/dbraw/zinc/79/43/14/936794314.db2.gz VAFIHKMIHVONIO-CQSZACIVSA-N 0 3 267.325 1.366 20 10 CDCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000697567081 937283459 /nfs/dbraw/zinc/28/34/59/937283459.db2.gz HJOIJCCCDUEDBA-GXSJLCMTSA-N 0 3 269.366 1.402 20 10 CDCDHN C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001275276693 931721247 /nfs/dbraw/zinc/72/12/47/931721247.db2.gz OTKOGTUMPLZQHI-TXEJJXNPSA-N 0 3 252.745 1.934 20 10 CDCDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001275276693 931721251 /nfs/dbraw/zinc/72/12/51/931721251.db2.gz OTKOGTUMPLZQHI-TXEJJXNPSA-N 0 3 252.745 1.934 20 10 CDCDHN Oc1ccc(CN2CCCC[C@](O)(CF)C2)cc1O ZINC001203874862 939710502 /nfs/dbraw/zinc/71/05/02/939710502.db2.gz DPANTOTXPFBSRS-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN O=C1CCC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203884763 939712091 /nfs/dbraw/zinc/71/20/91/939712091.db2.gz ZCFZNPOHCPTENZ-RYUDHWBXSA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc(CN2CC[C@@H](CO)[C@H]2C)cc(O)c1O ZINC001204343535 939757796 /nfs/dbraw/zinc/75/77/96/939757796.db2.gz SPQBLGVOFRGMSS-KOLCDFICSA-N 0 3 267.325 1.309 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c([O-])c1 ZINC001277453562 942608313 /nfs/dbraw/zinc/60/83/13/942608313.db2.gz AWXMWGLHCARARZ-CYBMUJFWSA-N 0 3 290.363 1.488 20 10 CDCDHN COc1cc(CN2CC[C@H](C(C)=O)C2)c(O)cc1O ZINC001231638868 942953218 /nfs/dbraw/zinc/95/32/18/942953218.db2.gz HOJXIMKXZKBDOG-JTQLQIEISA-N 0 3 265.309 1.517 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807708 944576797 /nfs/dbraw/zinc/57/67/97/944576797.db2.gz KAYRRFQEYOKBEL-LLVKDONJSA-N 0 3 279.336 1.704 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236807708 944576800 /nfs/dbraw/zinc/57/68/00/944576800.db2.gz KAYRRFQEYOKBEL-LLVKDONJSA-N 0 3 279.336 1.704 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001237485780 944810054 /nfs/dbraw/zinc/81/00/54/944810054.db2.gz SJRWEZKJONWNQO-CYBMUJFWSA-N 0 3 277.364 1.816 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(c2ncncn2)CC1 ZINC001237495355 944816315 /nfs/dbraw/zinc/81/63/15/944816315.db2.gz QIMYVHBOLWOOQF-UHFFFAOYSA-N 0 3 285.351 1.208 20 10 CDCDHN COc1cc(CN2CCN3CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237684235 944926164 /nfs/dbraw/zinc/92/61/64/944926164.db2.gz PDEMBTXUIMHKSR-GFCCVEGCSA-N 0 3 278.352 1.299 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001238065725 945047650 /nfs/dbraw/zinc/04/76/50/945047650.db2.gz ZUWITWLHBYHVGO-UKRRQHHQSA-N 0 3 283.343 1.405 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)CN1 ZINC001246291366 948081992 /nfs/dbraw/zinc/08/19/92/948081992.db2.gz IDLBGOUILQONKC-LNSITVRQSA-N 0 3 291.395 1.307 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c([O-])c1 ZINC001249216695 949462554 /nfs/dbraw/zinc/46/25/54/949462554.db2.gz HFRSJNBGLABRDD-LLVKDONJSA-N 0 3 293.363 1.574 20 10 CDCDHN CN(C)c1ccc(CNC[C@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253712577 952057575 /nfs/dbraw/zinc/05/75/75/952057575.db2.gz UPOSTPMEORIQBG-AWEZNQCLSA-N 0 3 294.395 1.545 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CF)C1)[C@@H](O)CO2 ZINC001331021328 956766410 /nfs/dbraw/zinc/76/64/10/956766410.db2.gz JOUYLQPDQUXARO-YGRLFVJLSA-N 0 3 281.327 2.000 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CF)C1)[C@@H](O)CO2 ZINC001331021328 956766420 /nfs/dbraw/zinc/76/64/20/956766420.db2.gz JOUYLQPDQUXARO-YGRLFVJLSA-N 0 3 281.327 2.000 20 10 CDCDHN CC(C)(C)[C@H](N)C(=O)NCc1cc(O)ccc1O ZINC001575262569 1171141337 /nfs/dbraw/zinc/14/13/37/1171141337.db2.gz GLUWEGQKMHSCJN-LLVKDONJSA-N 0 3 252.314 1.087 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C(C)(C)C)c1 ZINC000205817450 343356760 /nfs/dbraw/zinc/35/67/60/343356760.db2.gz CHLRSYHCFZXYGB-ZDUSSCGKSA-N 0 3 253.342 1.897 20 10 CDCDHN CCOc1cccc(C[NH2+]CCN(CC)CCO)c1[O-] ZINC000184549581 357487993 /nfs/dbraw/zinc/48/79/93/357487993.db2.gz NQGMORXCQREKAN-UHFFFAOYSA-N 0 3 282.384 1.195 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1OC ZINC000187985189 357831507 /nfs/dbraw/zinc/83/15/07/357831507.db2.gz PWOBOMTUGHFZMW-CMPLNLGQSA-N 0 3 281.352 1.660 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000188046246 357838374 /nfs/dbraw/zinc/83/83/74/357838374.db2.gz WUJCOBRTVSXWJR-SNVBAGLBSA-N 0 3 296.367 1.366 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188390270 357890078 /nfs/dbraw/zinc/89/00/78/357890078.db2.gz KEUDOIVUABEAIE-WDEREUQCSA-N 0 3 252.289 1.051 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CNCCO1 ZINC000269237963 364165009 /nfs/dbraw/zinc/16/50/09/364165009.db2.gz WCXAYEMGIMCWNV-CQSZACIVSA-N 0 3 292.379 1.509 20 10 CDCDHN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1O ZINC000271284339 364979166 /nfs/dbraw/zinc/97/91/66/364979166.db2.gz OSCVJOUVWRNNGU-ZDUSSCGKSA-N 0 3 298.408 1.296 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c1[O-] ZINC000271265159 364979998 /nfs/dbraw/zinc/97/99/98/364979998.db2.gz IEENQVKFWGZWJY-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c1[O-] ZINC000271265159 364980002 /nfs/dbraw/zinc/98/00/02/364980002.db2.gz IEENQVKFWGZWJY-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@H]1O ZINC000272028145 365051838 /nfs/dbraw/zinc/05/18/38/365051838.db2.gz YFOJQEQJGZDGNF-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@H]1O ZINC000272028145 365051840 /nfs/dbraw/zinc/05/18/40/365051840.db2.gz YFOJQEQJGZDGNF-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[O-] ZINC000183460800 365468099 /nfs/dbraw/zinc/46/80/99/365468099.db2.gz YVLSSQDPXIGBMH-NSHDSACASA-N 0 3 250.342 1.911 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc2c(cc1[O-])CCCC2 ZINC000530221015 368150484 /nfs/dbraw/zinc/15/04/84/368150484.db2.gz BUPCVIMVZIYDAK-IUODEOHRSA-N 0 3 290.407 1.910 20 10 CDCDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NCC(F)F ZINC000296391795 371435419 /nfs/dbraw/zinc/43/54/19/371435419.db2.gz JXIDCEBYKJBWCP-VIFPVBQESA-N 0 3 270.279 1.350 20 10 CDCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN1CCOCC1 ZINC000297540414 372000744 /nfs/dbraw/zinc/00/07/44/372000744.db2.gz FBCUDQCWBSYTNT-DZGCQCFKSA-N 0 3 290.407 1.937 20 10 CDCDHN Cc1cc(CN(C)CCOCCO)ccc1N(C)C ZINC000293954432 378604140 /nfs/dbraw/zinc/60/41/40/378604140.db2.gz BZFJCVZCUCRRTI-UHFFFAOYSA-N 0 3 266.385 1.502 20 10 CDCDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000295848959 378709545 /nfs/dbraw/zinc/70/95/45/378709545.db2.gz DTRYDYYKFZMENX-FPMFFAJLSA-N 0 3 294.370 1.836 20 10 CDCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000106857953 390558033 /nfs/dbraw/zinc/55/80/33/390558033.db2.gz OBCLBZROEQRQCR-SNVBAGLBSA-N 0 3 251.282 1.342 20 10 CDCDHN CCOc1ccc(O)c(CN2CCCN(C(N)=O)CC2)c1 ZINC000092754311 390896670 /nfs/dbraw/zinc/89/66/70/390896670.db2.gz SOHCTYGTJXXHFQ-UHFFFAOYSA-N 0 3 293.367 1.377 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1[O-] ZINC000105488007 391065275 /nfs/dbraw/zinc/06/52/75/391065275.db2.gz VTKJRPLBBOUGPE-NSHDSACASA-N 0 3 264.369 1.973 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000164758214 391290717 /nfs/dbraw/zinc/29/07/17/391290717.db2.gz IRVGVIAJQGLVQS-YPMLDQLKSA-N 0 3 271.382 1.648 20 10 CDCDHN CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296770552 391699916 /nfs/dbraw/zinc/69/99/16/391699916.db2.gz KMVQVXWZVJCIKM-QWHCGFSZSA-N 0 3 274.364 1.980 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000126400997 260351665 /nfs/dbraw/zinc/35/16/65/260351665.db2.gz NUZYQEWWPXQECD-LLVKDONJSA-N 0 3 276.336 1.408 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000126400997 260351667 /nfs/dbraw/zinc/35/16/67/260351667.db2.gz NUZYQEWWPXQECD-LLVKDONJSA-N 0 3 276.336 1.408 20 10 CDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000291686640 263124757 /nfs/dbraw/zinc/12/47/57/263124757.db2.gz XTRCMBQDXOGCTA-UKRRQHHQSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccccc1[O-] ZINC000291686640 263124758 /nfs/dbraw/zinc/12/47/58/263124758.db2.gz XTRCMBQDXOGCTA-UKRRQHHQSA-N 0 3 276.380 1.687 20 10 CDCDHN CNC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000273605189 327924306 /nfs/dbraw/zinc/92/43/06/327924306.db2.gz TYIAKBJONUSJDC-SNVBAGLBSA-N 0 3 266.341 1.578 20 10 CDCDHN CC(C)[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000092394343 327193845 /nfs/dbraw/zinc/19/38/45/327193845.db2.gz GUSLMNBCNHDRGZ-SNVBAGLBSA-N 0 3 253.298 1.227 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220206 329339833 /nfs/dbraw/zinc/33/98/33/329339833.db2.gz AKXVYDLARPKCRD-JTQLQIEISA-N 0 3 250.342 1.863 20 10 CDCDHN COC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230935424 333322690 /nfs/dbraw/zinc/32/26/90/333322690.db2.gz UKQIDKPKXAAQDJ-NSHDSACASA-N 0 3 289.759 1.541 20 10 CDCDHN Cc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC000135778416 334138612 /nfs/dbraw/zinc/13/86/12/334138612.db2.gz UNHSPYAXZNOJLN-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN Cc1c2ccccc2n(C)c1CNCCC(=O)NC(N)=O ZINC000577603662 335376487 /nfs/dbraw/zinc/37/64/87/335376487.db2.gz QUVKLVUHKGSSRS-UHFFFAOYSA-N 0 3 288.351 1.161 20 10 CDCDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000179581274 1161243951 /nfs/dbraw/zinc/24/39/51/1161243951.db2.gz LHYKBCLIWQACBO-UHFFFAOYSA-N 0 3 293.363 1.936 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000179581274 1161243954 /nfs/dbraw/zinc/24/39/54/1161243954.db2.gz LHYKBCLIWQACBO-UHFFFAOYSA-N 0 3 293.363 1.936 20 10 CDCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)(C)O ZINC000293202045 522641394 /nfs/dbraw/zinc/64/13/94/522641394.db2.gz XSGOCLRZNDSQDD-ZDUSSCGKSA-N 0 3 267.325 1.760 20 10 CDCDHN C[C@H](CN1CCCC1=O)NCc1ccc2c(c1)CCO2 ZINC000037782716 524325973 /nfs/dbraw/zinc/32/59/73/524325973.db2.gz KLCVPDAMZUTYBS-GFCCVEGCSA-N 0 3 274.364 1.722 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280893294 525365957 /nfs/dbraw/zinc/36/59/57/525365957.db2.gz PGKXLPRXMPMOJI-MELADBBJSA-N 0 3 279.380 1.996 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000094617780 525486331 /nfs/dbraw/zinc/48/63/31/525486331.db2.gz LWHQWTDZQCJYOM-ZJUUUORDSA-N 0 3 287.356 1.617 20 10 CDCDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@H+](C)C1CC1 ZINC000732284798 575086915 /nfs/dbraw/zinc/08/69/15/575086915.db2.gz CBKDHQMQRUBDGL-QMMMGPOBSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@@H+](C)C1CC1 ZINC000732284798 575086916 /nfs/dbraw/zinc/08/69/16/575086916.db2.gz CBKDHQMQRUBDGL-QMMMGPOBSA-N 0 3 254.355 1.666 20 10 CDCDHN C[C@@H](CNC(=O)C1=CC(=O)CS1)N(C)C1CC1 ZINC000732284798 575086917 /nfs/dbraw/zinc/08/69/17/575086917.db2.gz CBKDHQMQRUBDGL-QMMMGPOBSA-N 0 3 254.355 1.666 20 10 CDCDHN CN(C)c1ccc(CNCCN2CCOCC2)cc1F ZINC000733323402 575114672 /nfs/dbraw/zinc/11/46/72/575114672.db2.gz ZZSXFJVHZHYBLA-UHFFFAOYSA-N 0 3 281.375 1.314 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCO1 ZINC000768441722 576283594 /nfs/dbraw/zinc/28/35/94/576283594.db2.gz GYOTXGOUFBNGBZ-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCO1 ZINC000768441722 576283596 /nfs/dbraw/zinc/28/35/96/576283596.db2.gz GYOTXGOUFBNGBZ-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768448875 576284838 /nfs/dbraw/zinc/28/48/38/576284838.db2.gz YBCNJPLIOFDOBU-IINYFYTJSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000768448875 576284839 /nfs/dbraw/zinc/28/48/39/576284839.db2.gz YBCNJPLIOFDOBU-IINYFYTJSA-N 0 3 279.336 1.429 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000768882800 576315794 /nfs/dbraw/zinc/31/57/94/576315794.db2.gz WXRPVFINYBZMFN-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768882800 576315796 /nfs/dbraw/zinc/31/57/96/576315796.db2.gz WXRPVFINYBZMFN-JTQLQIEISA-N 0 3 267.325 1.642 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000769187827 576336661 /nfs/dbraw/zinc/33/66/61/576336661.db2.gz AMBFUPOAINIOSZ-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000769187827 576336662 /nfs/dbraw/zinc/33/66/62/576336662.db2.gz AMBFUPOAINIOSZ-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763465966 576738262 /nfs/dbraw/zinc/73/82/62/576738262.db2.gz DYCPHQOHAJFGKC-HNNXBMFYSA-N 0 3 279.380 1.968 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756524602 576993673 /nfs/dbraw/zinc/99/36/73/576993673.db2.gz HOPRLCIFOBKOBH-WCABBAIRSA-N 0 3 278.327 1.900 20 10 CDCDHN CON(C)C(=O)[C@H](C)NCc1cc(C)c(C)cc1O ZINC000858319798 617186397 /nfs/dbraw/zinc/18/63/97/617186397.db2.gz HEGDOYXYOXNCNA-NSHDSACASA-N 0 3 266.341 1.507 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@H](CC)CO)c([O-])c1 ZINC000824533549 618578069 /nfs/dbraw/zinc/57/80/69/618578069.db2.gz HNPDPNJJRMPLKO-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@H](CC)CO)c([O-])c1 ZINC000824533549 618578072 /nfs/dbraw/zinc/57/80/72/618578072.db2.gz HNPDPNJJRMPLKO-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN COCCNC(=O)C1(N[C@@H](C)c2cc(C)ccc2O)CC1 ZINC000840823162 618676199 /nfs/dbraw/zinc/67/61/99/618676199.db2.gz UXQZHQDXSVEXCP-LBPRGKRZSA-N 0 3 292.379 1.646 20 10 CDCDHN COc1cc(C)cc(CNCc2cnnn2C)c1O ZINC000894785654 619059832 /nfs/dbraw/zinc/05/98/32/619059832.db2.gz YGDSYANWLOUALZ-UHFFFAOYSA-N 0 3 262.313 1.128 20 10 CDCDHN CC1=NO[C@@H](CNCc2cc3c(cc2O)OCO3)C1 ZINC000895309341 619537797 /nfs/dbraw/zinc/53/77/97/619537797.db2.gz AKTMKSWDRAYZHM-SNVBAGLBSA-N 0 3 264.281 1.375 20 10 CDCDHN CN1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O ZINC000921644381 633121111 /nfs/dbraw/zinc/12/11/11/633121111.db2.gz PCNJASYXORNQGC-CYBMUJFWSA-N 0 3 260.337 1.332 20 10 CDCDHN CN(Cc1ccc(F)c(F)c1[O-])C1(C[NH3+])CCC1 ZINC001578489874 1171934505 /nfs/dbraw/zinc/93/45/05/1171934505.db2.gz RNHYLPAEHGNWPK-UHFFFAOYSA-N 0 3 256.296 1.984 20 10 CDCDHN C[N@H+](Cc1ccc(F)c(F)c1[O-])C1(CN)CCC1 ZINC001578489874 1171934511 /nfs/dbraw/zinc/93/45/11/1171934511.db2.gz RNHYLPAEHGNWPK-UHFFFAOYSA-N 0 3 256.296 1.984 20 10 CDCDHN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1(CN)CCC1 ZINC001578489874 1171934521 /nfs/dbraw/zinc/93/45/21/1171934521.db2.gz RNHYLPAEHGNWPK-UHFFFAOYSA-N 0 3 256.296 1.984 20 10 CDCDHN COC(=O)[C@@H](O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876809392 739815864 /nfs/dbraw/zinc/81/58/64/739815864.db2.gz FVAYDNYNOWETRS-HNNXBMFYSA-N 0 3 293.363 1.447 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c([O-])c1 ZINC000814173281 739744024 /nfs/dbraw/zinc/74/40/24/739744024.db2.gz MDVRQUWMKSVXAE-NHAGDIPZSA-N 0 3 291.347 1.642 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c([O-])c1 ZINC000814173281 739744038 /nfs/dbraw/zinc/74/40/38/739744038.db2.gz MDVRQUWMKSVXAE-NHAGDIPZSA-N 0 3 291.347 1.642 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000858295989 739856442 /nfs/dbraw/zinc/85/64/42/739856442.db2.gz HXEPUICAAJRGOR-KLPPZKSPSA-N 0 3 251.326 1.651 20 10 CDCDHN COc1ccc(N(C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000844899867 739897419 /nfs/dbraw/zinc/89/74/19/739897419.db2.gz HHPNBRVRVVHQAS-CYBMUJFWSA-N 0 3 291.395 1.329 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1[O-] ZINC000843353599 740519221 /nfs/dbraw/zinc/51/92/21/740519221.db2.gz LSBZDDDXXVZQCL-XPTSAGLGSA-N 0 3 280.343 1.903 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838911907 740531168 /nfs/dbraw/zinc/53/11/68/740531168.db2.gz BSIAGQJKUAXLQK-WCQYABFASA-N 0 3 262.353 1.959 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(OC)CC1 ZINC000817418781 740584008 /nfs/dbraw/zinc/58/40/08/740584008.db2.gz GDXHIJRBJPJEPW-UHFFFAOYSA-N 0 3 266.341 1.516 20 10 CDCDHN C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1[O-] ZINC000858599772 740735990 /nfs/dbraw/zinc/73/59/90/740735990.db2.gz PWXHGOJUQSKOBQ-RYUDHWBXSA-N 0 3 250.342 1.109 20 10 CDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000840826985 740844124 /nfs/dbraw/zinc/84/41/24/740844124.db2.gz YVRHBTBSAAWXIH-VHRBIJSZSA-N 0 3 251.326 1.765 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000840974328 740806183 /nfs/dbraw/zinc/80/61/83/740806183.db2.gz GMIULDBLABWAJL-UHFFFAOYSA-N 0 3 293.367 1.294 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000846068468 741073335 /nfs/dbraw/zinc/07/33/35/741073335.db2.gz SYXFWWSKBKHKAQ-QGZVFWFLSA-N 0 3 289.423 1.312 20 10 CDCDHN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000779499308 741127932 /nfs/dbraw/zinc/12/79/32/741127932.db2.gz MVHQIPPQHAQEOG-DBGMKRSLSA-N 0 3 288.347 1.464 20 10 CDCDHN CCc1cccc(CN2CCCC[C@@H]2C(N)=O)c1O ZINC000848881589 741135548 /nfs/dbraw/zinc/13/55/48/741135548.db2.gz YRIMZBHARAHRBT-CYBMUJFWSA-N 0 3 262.353 1.794 20 10 CDCDHN CN(CCN1CCCC1=O)Cc1cc2c(cc1O)OCO2 ZINC000093320438 741348129 /nfs/dbraw/zinc/34/81/29/741348129.db2.gz GWUSVIHAUNHGRK-UHFFFAOYSA-N 0 3 292.335 1.175 20 10 CDCDHN C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000094617641 741349976 /nfs/dbraw/zinc/34/99/76/741349976.db2.gz LUFOZUDPHUURPK-VIFPVBQESA-N 0 3 254.305 1.660 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccccc1[O-] ZINC000879648355 741283690 /nfs/dbraw/zinc/28/36/90/741283690.db2.gz LCEZOFMXXGLETL-GFCCVEGCSA-N 0 3 285.347 1.754 20 10 CDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000777219962 741389075 /nfs/dbraw/zinc/38/90/75/741389075.db2.gz OKQSCXRECSWQDR-UKRRQHHQSA-N 0 3 299.342 1.441 20 10 CDCDHN COC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134977 741700458 /nfs/dbraw/zinc/70/04/58/741700458.db2.gz XYGYSEOAQPUNLK-AWEZNQCLSA-N 0 3 288.338 1.518 20 10 CDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841652788 741810691 /nfs/dbraw/zinc/81/06/91/741810691.db2.gz GDXRPQXUVBWIDI-QWHCGFSZSA-N 0 3 290.411 1.644 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000850342923 741855502 /nfs/dbraw/zinc/85/55/02/741855502.db2.gz OSQVEKZSECHEAP-IUODEOHRSA-N 0 3 281.352 1.542 20 10 CDCDHN COc1ccc(O)c(CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000114540857 742081655 /nfs/dbraw/zinc/08/16/55/742081655.db2.gz AOQVSVOPBIXELX-AWEZNQCLSA-N 0 3 280.368 1.603 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC(=O)N(C)C1 ZINC000840933621 742364883 /nfs/dbraw/zinc/36/48/83/742364883.db2.gz QVHDPKOMDAHMIB-ZDUSSCGKSA-N 0 3 261.369 1.381 20 10 CDCDHN Cc1c[nH]c(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000883283750 742411719 /nfs/dbraw/zinc/41/17/19/742411719.db2.gz RKVATEDWSIMIAI-UHFFFAOYSA-N 0 3 299.422 1.760 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCN2C)cc1F ZINC000922574884 739430353 /nfs/dbraw/zinc/43/03/53/739430353.db2.gz RDYRMYRWMIOMKH-NSHDSACASA-N 0 3 269.339 1.825 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000846074591 739480892 /nfs/dbraw/zinc/48/08/92/739480892.db2.gz DGJHEBGKQVEGSM-LLVKDONJSA-N 0 3 290.363 1.501 20 10 CDCDHN CCN1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695611 739708980 /nfs/dbraw/zinc/70/89/80/739708980.db2.gz KPMPLTUHUIIPPW-GWCFXTLKSA-N 0 3 278.352 1.672 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000857069361 740007588 /nfs/dbraw/zinc/00/75/88/740007588.db2.gz ZXMHNJBRRRWIFZ-GFCCVEGCSA-N 0 3 252.289 1.242 20 10 CDCDHN CCCN1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000817410892 740211622 /nfs/dbraw/zinc/21/16/22/740211622.db2.gz JKLLAIITCQLJBR-NSHDSACASA-N 0 3 280.343 1.879 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)c([O-])c1 ZINC000877092865 740815921 /nfs/dbraw/zinc/81/59/21/740815921.db2.gz MEYLTAZDDVSXIK-JSGCOSHPSA-N 0 3 265.353 1.984 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)CC2 ZINC000846211018 740904197 /nfs/dbraw/zinc/90/41/97/740904197.db2.gz FLPCSTGFJURHRV-BBRMVZONSA-N 0 3 277.364 1.901 20 10 CDCDHN CN(CC(=O)NCCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000821061850 741152831 /nfs/dbraw/zinc/15/28/31/741152831.db2.gz YPAUHMGKYSDTDY-UHFFFAOYSA-N 0 3 294.395 1.734 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000779199485 741361002 /nfs/dbraw/zinc/36/10/02/741361002.db2.gz BAFUPQRBKUMAPD-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000779199485 741361004 /nfs/dbraw/zinc/36/10/04/741361004.db2.gz BAFUPQRBKUMAPD-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1 ZINC000703482338 741807151 /nfs/dbraw/zinc/80/71/51/741807151.db2.gz KJBQIDPPKULDLI-PHIMTYICSA-N 0 3 268.307 1.664 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1 ZINC000703482338 741807152 /nfs/dbraw/zinc/80/71/52/741807152.db2.gz KJBQIDPPKULDLI-PHIMTYICSA-N 0 3 268.307 1.664 20 10 CDCDHN CN(C)c1ccc(CN(C)CCN2CCCC2=O)cc1 ZINC000097153207 742088304 /nfs/dbraw/zinc/08/83/04/742088304.db2.gz AHAGGOVHUILTAQ-UHFFFAOYSA-N 0 3 275.396 1.807 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(F)ccc1[O-] ZINC000094617777 742222613 /nfs/dbraw/zinc/22/26/13/742222613.db2.gz BDASQGKJRDNOHA-ONGXEEELSA-N 0 3 255.289 1.597 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[O-] ZINC000783507647 742483876 /nfs/dbraw/zinc/48/38/76/742483876.db2.gz CVYDOBVYQFQNRI-CHWSQXEVSA-N 0 3 264.369 1.764 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CNCCO2)cc1 ZINC000091300634 742506358 /nfs/dbraw/zinc/50/63/58/742506358.db2.gz NYZFHRATXKYGDB-OAHLLOKOSA-N 0 3 291.395 1.090 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000686591885 900273019 /nfs/dbraw/zinc/27/30/19/900273019.db2.gz CPIAJXLUGVXQAU-GXTWGEPZSA-N 0 3 251.326 1.676 20 10 CDCDHN O=C1CC[C@H]2C[C@@H]([N@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181783 911444870 /nfs/dbraw/zinc/44/48/70/911444870.db2.gz HZXBTUBZHGQAAC-KBPBESRZSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1CC[C@H]2C[C@@H]([N@@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181783 911444884 /nfs/dbraw/zinc/44/48/84/911444884.db2.gz HZXBTUBZHGQAAC-KBPBESRZSA-N 0 3 286.375 1.904 20 10 CDCDHN Cc1cccc(CN2C[C@H](F)C[C@H](CO)C2)c1O ZINC001231591278 911786935 /nfs/dbraw/zinc/78/69/35/911786935.db2.gz YYEPAQRVORYOMI-WCQYABFASA-N 0 3 253.317 1.853 20 10 CDCDHN Cc1cc(CN2CC[C@H](O)[C@@](C)(CO)C2)ccc1N(C)C ZINC001139669551 936321688 /nfs/dbraw/zinc/32/16/88/936321688.db2.gz AJGMHTOXPBNOBX-DLBZAZTESA-N 0 3 292.423 1.626 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001236784682 916398782 /nfs/dbraw/zinc/39/87/82/916398782.db2.gz YIIUMBFCZNDIBE-ZDUSSCGKSA-N 0 3 263.337 1.950 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001236784682 916398800 /nfs/dbraw/zinc/39/88/00/916398800.db2.gz YIIUMBFCZNDIBE-ZDUSSCGKSA-N 0 3 263.337 1.950 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001236807292 916528308 /nfs/dbraw/zinc/52/83/08/916528308.db2.gz FOVONLAVRVTGGM-RISCZKNCSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001236807292 916528317 /nfs/dbraw/zinc/52/83/17/916528317.db2.gz FOVONLAVRVTGGM-RISCZKNCSA-N 0 3 265.353 1.912 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)c(OC)c2)[C@H](C)C1 ZINC001204351985 918039647 /nfs/dbraw/zinc/03/96/47/918039647.db2.gz XVRRMXSXBITAID-LLVKDONJSA-N 0 3 280.368 1.632 20 10 CDCDHN CN1CCC2(CN(Cc3ccc4c(c3)CCCN4C)C2)C1=O ZINC001138359755 936526028 /nfs/dbraw/zinc/52/60/28/936526028.db2.gz HODDZCPHMNXDSC-UHFFFAOYSA-N 0 3 299.418 1.733 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001203621252 919680281 /nfs/dbraw/zinc/68/02/81/919680281.db2.gz QKWFFCOJFMJHRU-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001203621252 919680291 /nfs/dbraw/zinc/68/02/91/919680291.db2.gz QKWFFCOJFMJHRU-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN CC[N@H+](CCN1CCOCC1)Cc1cc(F)ccc1[O-] ZINC001140058717 936674767 /nfs/dbraw/zinc/67/47/67/936674767.db2.gz JCMREWFVRPSJGQ-UHFFFAOYSA-N 0 3 282.359 1.685 20 10 CDCDHN CC[N@@H+](CCN1CCOCC1)Cc1cc(F)ccc1[O-] ZINC001140058717 936674768 /nfs/dbraw/zinc/67/47/68/936674768.db2.gz JCMREWFVRPSJGQ-UHFFFAOYSA-N 0 3 282.359 1.685 20 10 CDCDHN CC1(C(N)=O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140054934 936674449 /nfs/dbraw/zinc/67/44/49/936674449.db2.gz AIOKOXOHTGCBHW-UHFFFAOYSA-N 0 3 266.316 1.619 20 10 CDCDHN CN(Cc1ccccc1O)CC1C(=O)N=CNC1=O ZINC001140472991 936713398 /nfs/dbraw/zinc/71/33/98/936713398.db2.gz JPYYVMYEBDWBPM-UHFFFAOYSA-N 0 3 261.281 1.225 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950413 936783273 /nfs/dbraw/zinc/78/32/73/936783273.db2.gz SHPUXCDNMWVUAB-GDBMZVCRSA-N 0 3 277.364 1.795 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950413 936783275 /nfs/dbraw/zinc/78/32/75/936783275.db2.gz SHPUXCDNMWVUAB-GDBMZVCRSA-N 0 3 277.364 1.795 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410717 928025703 /nfs/dbraw/zinc/02/57/03/928025703.db2.gz PAZAGBLAPALHMJ-DZGCQCFKSA-N 0 3 293.363 1.935 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410717 928025714 /nfs/dbraw/zinc/02/57/14/928025714.db2.gz PAZAGBLAPALHMJ-DZGCQCFKSA-N 0 3 293.363 1.935 20 10 CDCDHN C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589992 932755149 /nfs/dbraw/zinc/75/51/49/932755149.db2.gz UQYQNNWRHLMHEB-SNVBAGLBSA-N 0 3 294.351 1.265 20 10 CDCDHN C[N@H+]1CCC[C@H](CCNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589992 932755151 /nfs/dbraw/zinc/75/51/51/932755151.db2.gz UQYQNNWRHLMHEB-SNVBAGLBSA-N 0 3 294.351 1.265 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203562926 939693273 /nfs/dbraw/zinc/69/32/73/939693273.db2.gz PLWNFWQAOONSHH-JSGCOSHPSA-N 0 3 274.364 1.835 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203562926 939693275 /nfs/dbraw/zinc/69/32/75/939693275.db2.gz PLWNFWQAOONSHH-JSGCOSHPSA-N 0 3 274.364 1.835 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001203604046 939695862 /nfs/dbraw/zinc/69/58/62/939695862.db2.gz ZZXGEHXYSHAIKE-ZBFHGGJFSA-N 0 3 295.379 1.356 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001204276976 939751323 /nfs/dbraw/zinc/75/13/23/939751323.db2.gz UVYQGWNRBBYNMZ-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001204276976 939751324 /nfs/dbraw/zinc/75/13/24/939751324.db2.gz UVYQGWNRBBYNMZ-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN [NH3+][C@H]1CN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC001204823034 939795071 /nfs/dbraw/zinc/79/50/71/939795071.db2.gz GHFJWMQWFQJJGC-ZJUUUORDSA-N 0 3 289.148 1.636 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400271322 940845841 /nfs/dbraw/zinc/84/58/41/940845841.db2.gz MSKFPYVCMZZENV-QWRGUYRKSA-N 0 3 284.381 1.077 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000405362106 940984621 /nfs/dbraw/zinc/98/46/21/940984621.db2.gz FOVQYTXLINZWLN-LLVKDONJSA-N 0 3 284.381 1.078 20 10 CDCDHN Cc1cc(C)c(CN2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001231841702 943023944 /nfs/dbraw/zinc/02/39/44/943023944.db2.gz DIZZUWBZFBOHBL-RYUDHWBXSA-N 0 3 253.317 1.914 20 10 CDCDHN COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC001236757950 944560921 /nfs/dbraw/zinc/56/09/21/944560921.db2.gz SROGQUWPQUHAQB-BETUJISGSA-N 0 3 292.379 1.688 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001236827950 944584580 /nfs/dbraw/zinc/58/45/80/944584580.db2.gz XJPDDXPIKGGVHU-PBHICJAKSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001236827950 944584592 /nfs/dbraw/zinc/58/45/92/944584592.db2.gz XJPDDXPIKGGVHU-PBHICJAKSA-N 0 3 287.359 1.721 20 10 CDCDHN COC(=O)Cc1ccc(CN(C)CC(OC)OC)c(O)c1 ZINC001249207688 949460949 /nfs/dbraw/zinc/46/09/49/949460949.db2.gz GWEXOQYDLRVADY-UHFFFAOYSA-N 0 3 297.351 1.158 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC(OC)OC)c([O-])c1 ZINC001249207688 949460967 /nfs/dbraw/zinc/46/09/67/949460967.db2.gz GWEXOQYDLRVADY-UHFFFAOYSA-N 0 3 297.351 1.158 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)CC(OC)OC)c([O-])c1 ZINC001249207688 949460984 /nfs/dbraw/zinc/46/09/84/949460984.db2.gz GWEXOQYDLRVADY-UHFFFAOYSA-N 0 3 297.351 1.158 20 10 CDCDHN C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265156 994570508 /nfs/dbraw/zinc/57/05/08/994570508.db2.gz QJUFFIAEPOCEMI-GHMZBOCLSA-N 0 3 278.352 1.741 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000091899628 342409012 /nfs/dbraw/zinc/40/90/12/342409012.db2.gz OUUSADQMXYOIEU-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000091899628 342409013 /nfs/dbraw/zinc/40/90/13/342409013.db2.gz OUUSADQMXYOIEU-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H](CCCCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295125190 199358607 /nfs/dbraw/zinc/35/86/07/199358607.db2.gz XEDRHIGHBQKXAJ-JTQLQIEISA-N 0 3 267.325 1.762 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C3CC3)CC2)c1 ZINC000179670659 357219870 /nfs/dbraw/zinc/21/98/70/357219870.db2.gz YZCJGJPTJXEZFA-UHFFFAOYSA-N 0 3 262.353 1.681 20 10 CDCDHN Cc1cccc(C[N@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023360 357237329 /nfs/dbraw/zinc/23/73/29/357237329.db2.gz ZNOQIKIQOZLLJA-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN Cc1cccc(C[N@@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023360 357237331 /nfs/dbraw/zinc/23/73/31/357237331.db2.gz ZNOQIKIQOZLLJA-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN Cc1cccc(CN(C)CCN2CCOCC2)c1O ZINC000180023360 357237332 /nfs/dbraw/zinc/23/73/32/357237332.db2.gz ZNOQIKIQOZLLJA-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000180081874 357242295 /nfs/dbraw/zinc/24/22/95/357242295.db2.gz QJUPQJSOGILEOK-ZDUSSCGKSA-N 0 3 276.315 1.960 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000180081874 357242298 /nfs/dbraw/zinc/24/22/98/357242298.db2.gz QJUPQJSOGILEOK-ZDUSSCGKSA-N 0 3 276.315 1.960 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187670392 357793089 /nfs/dbraw/zinc/79/30/89/357793089.db2.gz RFKKDQCGENEPHY-HOTGVXAUSA-N 0 3 278.396 1.460 20 10 CDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610497 359703658 /nfs/dbraw/zinc/70/36/58/359703658.db2.gz ONUAIZSMICXJPS-QPUJVOFHSA-N 0 3 259.346 1.733 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617271 359704715 /nfs/dbraw/zinc/70/47/15/359704715.db2.gz WSQBPQMTRHNGSI-UHFFFAOYSA-N 0 3 254.305 1.393 20 10 CDCDHN C[C@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@H](C)O1 ZINC000269235414 364165729 /nfs/dbraw/zinc/16/57/29/364165729.db2.gz GMCPIOHTCMTWIQ-QWRGUYRKSA-N 0 3 295.358 1.014 20 10 CDCDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271216716 364976621 /nfs/dbraw/zinc/97/66/21/364976621.db2.gz NIRGQSPPMKODKD-LLVKDONJSA-N 0 3 281.375 1.706 20 10 CDCDHN COc1ccc(O)c(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000271840703 365001491 /nfs/dbraw/zinc/00/14/91/365001491.db2.gz QQGJYHJFCFKVMQ-NSHDSACASA-N 0 3 279.258 1.804 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)CCOC)c1 ZINC000172072805 365465194 /nfs/dbraw/zinc/46/51/94/365465194.db2.gz QCDWIYPHOGMGMS-OAHLLOKOSA-N 0 3 283.368 1.668 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273364275 365489122 /nfs/dbraw/zinc/48/91/22/365489122.db2.gz BBQTUSFAZCXCEH-QWRGUYRKSA-N 0 3 276.340 1.732 20 10 CDCDHN CN(C)C(=O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297766251 371459098 /nfs/dbraw/zinc/45/90/98/371459098.db2.gz OZROKYJJSCMFRH-LBPRGKRZSA-N 0 3 262.353 1.838 20 10 CDCDHN CC(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000184922056 262300310 /nfs/dbraw/zinc/30/03/10/262300310.db2.gz PGUMQULXHPIIIK-SECBINFHSA-N 0 3 254.305 1.708 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)CSC)c1 ZINC000120616311 390873777 /nfs/dbraw/zinc/87/37/77/390873777.db2.gz NSXDLYRLUOQKFB-AWEZNQCLSA-N 0 3 285.409 1.995 20 10 CDCDHN COc1ccc(O)c(CNCCS(=O)(=O)C(C)C)c1 ZINC000290273624 390810805 /nfs/dbraw/zinc/81/08/05/390810805.db2.gz YECPYEBTLUSPDW-UHFFFAOYSA-N 0 3 287.381 1.314 20 10 CDCDHN Cc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000124718325 391223985 /nfs/dbraw/zinc/22/39/85/391223985.db2.gz BAWJKZCPZYQMDU-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000179573466 391211481 /nfs/dbraw/zinc/21/14/81/391211481.db2.gz VAGKTHUYBRDFDQ-UHFFFAOYSA-N 0 3 293.285 1.765 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000179573466 391211485 /nfs/dbraw/zinc/21/14/85/391211485.db2.gz VAGKTHUYBRDFDQ-UHFFFAOYSA-N 0 3 293.285 1.765 20 10 CDCDHN COc1ccc(N2CCN(C(=O)CNC3CC3)CC2)cc1 ZINC000004856139 134651742 /nfs/dbraw/zinc/65/17/42/134651742.db2.gz WRJGXIZPCJYYSB-UHFFFAOYSA-N 0 3 289.379 1.096 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccccc1[O-] ZINC000281711811 286924455 /nfs/dbraw/zinc/92/44/55/286924455.db2.gz UAZLHSFMKHKGLD-DGCLKSJQSA-N 0 3 253.342 1.830 20 10 CDCDHN CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126403102 260351531 /nfs/dbraw/zinc/35/15/31/260351531.db2.gz FWXKZWZZCDMCJP-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177563 262082448 /nfs/dbraw/zinc/08/24/48/262082448.db2.gz ZFWRFAQUJIQDOK-BXUZGUMPSA-N 0 3 251.326 1.503 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NCC2CC2)c1 ZINC000186505154 327916945 /nfs/dbraw/zinc/91/69/45/327916945.db2.gz VJPAQAHCGYHZNC-LLVKDONJSA-N 0 3 262.353 1.877 20 10 CDCDHN CC(C)[C@]1(CO)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000378133044 329041032 /nfs/dbraw/zinc/04/10/32/329041032.db2.gz RFYSEANAJWDEPD-MRXNPFEDSA-N 0 3 293.363 1.961 20 10 CDCDHN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000378133044 329041033 /nfs/dbraw/zinc/04/10/33/329041033.db2.gz RFYSEANAJWDEPD-MRXNPFEDSA-N 0 3 293.363 1.961 20 10 CDCDHN CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169093865 329063678 /nfs/dbraw/zinc/06/36/78/329063678.db2.gz SHTDSHVCSUBTGG-SNVBAGLBSA-N 0 3 259.733 1.915 20 10 CDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667182 334384598 /nfs/dbraw/zinc/38/45/98/334384598.db2.gz GIANITUMOFASPP-UONOGXRCSA-N 0 3 296.798 1.998 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000265289646 521152327 /nfs/dbraw/zinc/15/23/27/521152327.db2.gz ZAWRDGVGWQGWHQ-AWEZNQCLSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1cccc(C[NH+]2CCC(CO)CC2)c1[O-] ZINC000127064299 521337046 /nfs/dbraw/zinc/33/70/46/521337046.db2.gz PWLKUXSJKWQENC-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@]2(CCO)CCOC2)cc1OC ZINC000278703704 522782627 /nfs/dbraw/zinc/78/26/27/522782627.db2.gz NXHIGCAAFSWGPU-OAHLLOKOSA-N 0 3 297.351 1.041 20 10 CDCDHN COCC1(C[NH2+]Cc2cccc(OC)c2[O-])CCOCC1 ZINC000291772547 522900756 /nfs/dbraw/zinc/90/07/56/522900756.db2.gz SZNDAMWYXVVTAF-UHFFFAOYSA-N 0 3 295.379 1.934 20 10 CDCDHN COCCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000061375293 523611122 /nfs/dbraw/zinc/61/11/22/523611122.db2.gz GLLJJOHUPKNUFQ-GFCCVEGCSA-N 0 3 282.384 1.630 20 10 CDCDHN CO[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1OC ZINC000234860124 523738930 /nfs/dbraw/zinc/73/89/30/523738930.db2.gz WQPZWBKRIMHKFX-OKILXGFUSA-N 0 3 251.326 1.546 20 10 CDCDHN CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1OC ZINC000234860124 523738935 /nfs/dbraw/zinc/73/89/35/523738935.db2.gz WQPZWBKRIMHKFX-OKILXGFUSA-N 0 3 251.326 1.546 20 10 CDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000278707115 524033723 /nfs/dbraw/zinc/03/37/23/524033723.db2.gz OHUYZHIQRQCOMO-DZGCQCFKSA-N 0 3 295.379 1.238 20 10 CDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000278707115 524033724 /nfs/dbraw/zinc/03/37/24/524033724.db2.gz OHUYZHIQRQCOMO-DZGCQCFKSA-N 0 3 295.379 1.238 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC[C@H](C)CO)c1 ZINC000224939347 524749962 /nfs/dbraw/zinc/74/99/62/524749962.db2.gz OXKUZRYFWCYYIY-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280893295 525362805 /nfs/dbraw/zinc/36/28/05/525362805.db2.gz PGKXLPRXMPMOJI-MJBXVCDLSA-N 0 3 279.380 1.996 20 10 CDCDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083399 525486688 /nfs/dbraw/zinc/48/66/88/525486688.db2.gz ILYMOGJWYUVPTK-OLZOCXBDSA-N 0 3 296.436 1.838 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1 ZINC000068800529 525924530 /nfs/dbraw/zinc/92/45/30/525924530.db2.gz KPPGIUKOZPLNFD-KBPBESRZSA-N 0 3 277.412 1.597 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)c([O-])c1 ZINC000725849118 574444390 /nfs/dbraw/zinc/44/43/90/574444390.db2.gz IAVOIQSIYJMWIW-JTQLQIEISA-N 0 3 262.313 1.171 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000754152921 575000334 /nfs/dbraw/zinc/00/03/34/575000334.db2.gz AZMLXONGXHODHI-GASCZTMLSA-N 0 3 281.352 1.637 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000754152921 575000335 /nfs/dbraw/zinc/00/03/35/575000335.db2.gz AZMLXONGXHODHI-GASCZTMLSA-N 0 3 281.352 1.637 20 10 CDCDHN C[NH+](C)CC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000732264691 575084740 /nfs/dbraw/zinc/08/47/40/575084740.db2.gz IIOBJLPGTXATQD-UHFFFAOYSA-N 0 3 256.371 1.771 20 10 CDCDHN CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732284380 575086806 /nfs/dbraw/zinc/08/68/06/575086806.db2.gz RQYWWMRYFQVQTO-SECBINFHSA-N 0 3 256.371 1.914 20 10 CDCDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732284380 575086807 /nfs/dbraw/zinc/08/68/07/575086807.db2.gz RQYWWMRYFQVQTO-SECBINFHSA-N 0 3 256.371 1.914 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000732289950 575087098 /nfs/dbraw/zinc/08/70/98/575087098.db2.gz FITOTHHJEHAJHL-SNVBAGLBSA-N 0 3 266.366 1.668 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000732289950 575087099 /nfs/dbraw/zinc/08/70/99/575087099.db2.gz FITOTHHJEHAJHL-SNVBAGLBSA-N 0 3 266.366 1.668 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)CSC ZINC000738440033 576074840 /nfs/dbraw/zinc/07/48/40/576074840.db2.gz KVCJUFIZDUFKJS-ZDUSSCGKSA-N 0 3 271.382 1.604 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000769445731 576354228 /nfs/dbraw/zinc/35/42/28/576354228.db2.gz IMDWSYZARVYGIK-UHFFFAOYSA-N 0 3 290.363 1.503 20 10 CDCDHN CCOc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC000769481962 576357841 /nfs/dbraw/zinc/35/78/41/576357841.db2.gz DGHNDYZBIKZYQZ-ZBFHGGJFSA-N 0 3 292.379 1.306 20 10 CDCDHN COC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742370720 576598321 /nfs/dbraw/zinc/59/83/21/576598321.db2.gz KNYBFVYHXRQUCD-CQSZACIVSA-N 0 3 253.342 1.496 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1F ZINC000748241584 576902876 /nfs/dbraw/zinc/90/28/76/576902876.db2.gz AKRNYPOXIBIGFD-CYBMUJFWSA-N 0 3 279.359 1.602 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c([O-])c1C ZINC000756554799 576995296 /nfs/dbraw/zinc/99/52/96/576995296.db2.gz JEMUODOSNHXXPQ-OLZOCXBDSA-N 0 3 266.385 1.582 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1[O-] ZINC000750816967 577007913 /nfs/dbraw/zinc/00/79/13/577007913.db2.gz FVKSLYGDLMPPFW-VXGBXAGGSA-N 0 3 278.327 1.385 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)CC(F)F)c([O-])c1 ZINC000758613852 577122218 /nfs/dbraw/zinc/12/22/18/577122218.db2.gz NZOUGGPFXZMGFD-SNVBAGLBSA-N 0 3 275.295 1.897 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000795584007 618390319 /nfs/dbraw/zinc/39/03/19/618390319.db2.gz VDYNZBZUZVJZQW-VXGBXAGGSA-N 0 3 281.352 1.135 20 10 CDCDHN COc1cc(C)cc(CN2CCN3CCOC[C@@H]3C2)c1O ZINC000894455457 618896332 /nfs/dbraw/zinc/89/63/32/618896332.db2.gz CLIZGPFSUABOLF-AWEZNQCLSA-N 0 3 292.379 1.226 20 10 CDCDHN COc1ccc(CN(C)C[C@@H]2COCCO2)c(O)c1OC ZINC000895366117 619606708 /nfs/dbraw/zinc/60/67/08/619606708.db2.gz YJROWVPCQYKYCI-GFCCVEGCSA-N 0 3 297.351 1.257 20 10 CDCDHN COc1ccc(CNC[C@H]2CC(C)=NO2)c(O)c1OC ZINC000895429724 619656265 /nfs/dbraw/zinc/65/62/65/619656265.db2.gz TWYUMBQGUYTMIU-LLVKDONJSA-N 0 3 280.324 1.664 20 10 CDCDHN Cc1cc(Br)cc(C[NH2+]CCCON)c1[O-] ZINC000904456192 626301190 /nfs/dbraw/zinc/30/11/90/626301190.db2.gz GALOFKJITAWBBT-UHFFFAOYSA-N 0 3 289.173 1.833 20 10 CDCDHN C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342456 1163160281 /nfs/dbraw/zinc/16/02/81/1163160281.db2.gz WJAFWYFJRFFVHC-IUCAKERBSA-N 0 3 252.314 1.478 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC000133346710 1175803164 /nfs/dbraw/zinc/80/31/64/1175803164.db2.gz MJSMVBCJMPKHKK-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN COc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC000129994603 742876391 /nfs/dbraw/zinc/87/63/91/742876391.db2.gz ZELOGXVFYKVKFG-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000877614061 743617186 /nfs/dbraw/zinc/61/71/86/743617186.db2.gz UQSWTPZBZZKFBB-LBPRGKRZSA-N 0 3 274.364 1.801 20 10 CDCDHN CNCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000841035368 745067206 /nfs/dbraw/zinc/06/72/06/745067206.db2.gz IUQNVKRGCKKDGO-UHFFFAOYSA-N 0 3 259.147 1.464 20 10 CDCDHN C[NH2+]CCNCc1cccc(Br)c1[O-] ZINC000841035368 745067217 /nfs/dbraw/zinc/06/72/17/745067217.db2.gz IUQNVKRGCKKDGO-UHFFFAOYSA-N 0 3 259.147 1.464 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000839196284 745284058 /nfs/dbraw/zinc/28/40/58/745284058.db2.gz UMDPCGFPKDWSKQ-JTQLQIEISA-N 0 3 264.325 1.017 20 10 CDCDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125057840 745562465 /nfs/dbraw/zinc/56/24/65/745562465.db2.gz VOWPFWTXHLMDJH-CYBMUJFWSA-N 0 3 293.386 1.850 20 10 CDCDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000179587506 745773036 /nfs/dbraw/zinc/77/30/36/745773036.db2.gz FGNRIJCXRJWWBU-CYBMUJFWSA-N 0 3 262.353 1.692 20 10 CDCDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000179587506 745773042 /nfs/dbraw/zinc/77/30/42/745773042.db2.gz FGNRIJCXRJWWBU-CYBMUJFWSA-N 0 3 262.353 1.692 20 10 CDCDHN Cc1ccc(CN2CCN(c3nccn3C)CC2)c(O)c1 ZINC000877642546 745814952 /nfs/dbraw/zinc/81/49/52/745814952.db2.gz ZZIBGNXGTPMPEX-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN CN(C)c1ccc(CN(C)C[C@H]2COCCO2)cc1F ZINC000827141796 745955342 /nfs/dbraw/zinc/95/53/42/745955342.db2.gz XZYLLNJORIMDQX-ZDUSSCGKSA-N 0 3 282.359 1.739 20 10 CDCDHN CNC(=O)CN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876928269 746314048 /nfs/dbraw/zinc/31/40/48/746314048.db2.gz YSKANFDGIYZXSY-UHFFFAOYSA-N 0 3 291.395 1.001 20 10 CDCDHN CCN1C[C@@H](C[NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877613959 746339284 /nfs/dbraw/zinc/33/92/84/746339284.db2.gz STZUYWKQLQQCFE-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000830102164 746437025 /nfs/dbraw/zinc/43/70/25/746437025.db2.gz FOGLLQZQSMLDKL-ZIAGYGMSSA-N 0 3 250.342 1.256 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105428 746898021 /nfs/dbraw/zinc/89/80/21/746898021.db2.gz MPTVRRLFWWSBAD-CQSZACIVSA-N 0 3 250.317 1.859 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000825196971 746959267 /nfs/dbraw/zinc/95/92/67/746959267.db2.gz RDXVTFRSOLYSLP-UKRRQHHQSA-N 0 3 263.337 1.515 20 10 CDCDHN CN1CCN(c2ccc(CNCC(F)(F)CN)cc2)CC1 ZINC000841060313 747081419 /nfs/dbraw/zinc/08/14/19/747081419.db2.gz UMHQUCHFBXZUAY-UHFFFAOYSA-N 0 3 298.381 1.122 20 10 CDCDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc(N)cc1 ZINC000037825159 747135764 /nfs/dbraw/zinc/13/57/64/747135764.db2.gz NJYDNYFJMXNWLE-UHFFFAOYSA-N 0 3 277.412 1.858 20 10 CDCDHN CON(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000858582027 747190122 /nfs/dbraw/zinc/19/01/22/747190122.db2.gz LELOATDKSJEIFK-RYUDHWBXSA-N 0 3 279.384 1.812 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c([O-])c1 ZINC000877129338 747376586 /nfs/dbraw/zinc/37/65/86/747376586.db2.gz BTZYTCAVBHGEHR-UKRRQHHQSA-N 0 3 292.379 1.426 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC2)N(C)C)cc1 ZINC000049504509 747453822 /nfs/dbraw/zinc/45/38/22/747453822.db2.gz AEZJKROUGNGCFO-OAHLLOKOSA-N 0 3 290.411 1.817 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000843488993 747830326 /nfs/dbraw/zinc/83/03/26/747830326.db2.gz AFLIQFPPDFGDRQ-NOZJJQNGSA-N 0 3 280.368 1.951 20 10 CDCDHN CCc1cccc(CN(CC(N)=O)CC(C)C)c1O ZINC000709350687 747858802 /nfs/dbraw/zinc/85/88/02/747858802.db2.gz GPXNYQLHKFYNGD-UHFFFAOYSA-N 0 3 264.369 1.898 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN(CCO)CC1 ZINC000840908965 747877678 /nfs/dbraw/zinc/87/76/78/747877678.db2.gz ZLZJWOKTWOTRDC-UHFFFAOYSA-N 0 3 277.412 1.171 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886525005 747899038 /nfs/dbraw/zinc/89/90/38/747899038.db2.gz VOMAWVBXFMFOGA-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834623946 748763437 /nfs/dbraw/zinc/76/34/37/748763437.db2.gz CLLFXOJVKDAADT-ZYHUDNBSSA-N 0 3 283.393 1.792 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876727707 748882557 /nfs/dbraw/zinc/88/25/57/748882557.db2.gz AATHYUVCYPUOCC-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876727707 748882562 /nfs/dbraw/zinc/88/25/62/748882562.db2.gz AATHYUVCYPUOCC-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN CCN1C[C@@H](NCc2ccc(N(C)C)cc2C)CC1=O ZINC000840950509 748909761 /nfs/dbraw/zinc/90/97/61/748909761.db2.gz LFLUAFQMPZCOPP-AWEZNQCLSA-N 0 3 275.396 1.771 20 10 CDCDHN C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccccc1[O-] ZINC000157947199 749066207 /nfs/dbraw/zinc/06/62/07/749066207.db2.gz BDLMDFQUYMVJAU-LJRHVDQYSA-N 0 3 253.367 1.954 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCCO)CC1 ZINC000779031106 749106921 /nfs/dbraw/zinc/10/69/21/749106921.db2.gz CCTYBGZCMTVZMS-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN CCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119314 749304802 /nfs/dbraw/zinc/30/48/02/749304802.db2.gz SZZUPTVQGHHHED-UHFFFAOYSA-N 0 3 289.423 1.661 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140060077 894781209 /nfs/dbraw/zinc/78/12/09/894781209.db2.gz JVSYHQWYPMQBCJ-CQSZACIVSA-N 0 3 280.343 1.974 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140060077 894781220 /nfs/dbraw/zinc/78/12/20/894781220.db2.gz JVSYHQWYPMQBCJ-CQSZACIVSA-N 0 3 280.343 1.974 20 10 CDCDHN CN1[C@H]2COC[C@@H]1CC([N@H+](C)Cc1ccccc1[O-])C2 ZINC001172137807 911240526 /nfs/dbraw/zinc/24/05/26/911240526.db2.gz BRMXRSVCXCKLTE-GOOCMWNKSA-N 0 3 276.380 1.686 20 10 CDCDHN CN1[C@H]2COC[C@@H]1CC([N@@H+](C)Cc1ccccc1[O-])C2 ZINC001172137807 911240533 /nfs/dbraw/zinc/24/05/33/911240533.db2.gz BRMXRSVCXCKLTE-GOOCMWNKSA-N 0 3 276.380 1.686 20 10 CDCDHN O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccccc3[O-])CCN12 ZINC001172146661 911356627 /nfs/dbraw/zinc/35/66/27/911356627.db2.gz MNUAXMICKGGYTQ-CHWSQXEVSA-N 0 3 260.337 1.635 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163294 911542494 /nfs/dbraw/zinc/54/24/94/911542494.db2.gz BKYJJIYBQUHALP-CMPLNLGQSA-N 0 3 256.296 1.793 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163294 911542506 /nfs/dbraw/zinc/54/25/06/911542506.db2.gz BKYJJIYBQUHALP-CMPLNLGQSA-N 0 3 256.296 1.793 20 10 CDCDHN CC[N@H+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137841688 936420285 /nfs/dbraw/zinc/42/02/85/936420285.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 0 3 264.344 1.915 20 10 CDCDHN CC[N@@H+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137841688 936420288 /nfs/dbraw/zinc/42/02/88/936420288.db2.gz PYZFHWKOQPSBJV-TXEJJXNPSA-N 0 3 264.344 1.915 20 10 CDCDHN C[N@@H+]1CC[C@H]2CN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC001138128373 936476034 /nfs/dbraw/zinc/47/60/34/936476034.db2.gz FXONUEMNHPAWGA-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN C[N@H+]1CC[C@H]2CN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC001138128373 936476036 /nfs/dbraw/zinc/47/60/36/936476036.db2.gz FXONUEMNHPAWGA-GXFFZTMASA-N 0 3 250.317 1.667 20 10 CDCDHN CC(=O)N1CCC[C@@H](N(C)Cc2cc(O)ccc2O)C1 ZINC001141162339 936823004 /nfs/dbraw/zinc/82/30/04/936823004.db2.gz QCLUWPIYNPHMSW-CYBMUJFWSA-N 0 3 278.352 1.541 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)=O)C1 ZINC001169559661 928175758 /nfs/dbraw/zinc/17/57/58/928175758.db2.gz IIEZKOCDRHKCSA-AWEZNQCLSA-N 0 3 262.353 1.835 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)=O)C1 ZINC001169559661 928175764 /nfs/dbraw/zinc/17/57/64/928175764.db2.gz IIEZKOCDRHKCSA-AWEZNQCLSA-N 0 3 262.353 1.835 20 10 CDCDHN CC[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858086132 928799742 /nfs/dbraw/zinc/79/97/42/928799742.db2.gz BBVFYSQYXDRHNG-SNVBAGLBSA-N 0 3 258.312 1.891 20 10 CDCDHN C[C@H](CNCc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000697590633 937283944 /nfs/dbraw/zinc/28/39/44/937283944.db2.gz YSXWIPXAOJEZHI-GFCCVEGCSA-N 0 3 296.436 1.592 20 10 CDCDHN C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])cccc1Cl ZINC001275217148 931702502 /nfs/dbraw/zinc/70/25/02/931702502.db2.gz HXWSAXSQGVCGLC-PHIMTYICSA-N 0 3 282.771 1.560 20 10 CDCDHN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])cccc1Cl ZINC001275217148 931702504 /nfs/dbraw/zinc/70/25/04/931702504.db2.gz HXWSAXSQGVCGLC-PHIMTYICSA-N 0 3 282.771 1.560 20 10 CDCDHN N[C@@H](CC1CCC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160871960 932206998 /nfs/dbraw/zinc/20/69/98/932206998.db2.gz CKHVRIYSXNESSR-AWEZNQCLSA-N 0 3 274.364 1.794 20 10 CDCDHN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC001148225063 932673860 /nfs/dbraw/zinc/67/38/60/932673860.db2.gz CUYGALHDZJLCNT-DGCLKSJQSA-N 0 3 292.379 1.946 20 10 CDCDHN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC001148225063 932673861 /nfs/dbraw/zinc/67/38/61/932673861.db2.gz CUYGALHDZJLCNT-DGCLKSJQSA-N 0 3 292.379 1.946 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001253704790 935853906 /nfs/dbraw/zinc/85/39/06/935853906.db2.gz VILRGGQMIQAYGU-GXFFZTMASA-N 0 3 281.352 1.745 20 10 CDCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)CN ZINC001157431960 938491655 /nfs/dbraw/zinc/49/16/55/938491655.db2.gz CCHWXBBQWQZNFU-SMDDNHRTSA-N 0 3 291.395 1.035 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001203552193 939692693 /nfs/dbraw/zinc/69/26/93/939692693.db2.gz DMWYJOPBRIBHMM-GASCZTMLSA-N 0 3 296.374 1.750 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001203552193 939692694 /nfs/dbraw/zinc/69/26/94/939692694.db2.gz DMWYJOPBRIBHMM-GASCZTMLSA-N 0 3 296.374 1.750 20 10 CDCDHN CN1C(=O)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203561793 939693478 /nfs/dbraw/zinc/69/34/78/939693478.db2.gz ZMTPOJHCJVCYRW-UHFFFAOYSA-N 0 3 274.364 1.979 20 10 CDCDHN CCOc1cccc(CN2CC(C(=O)N(C)C)C2)c1O ZINC001203608938 939696171 /nfs/dbraw/zinc/69/61/71/939696171.db2.gz BMPQTRQFKQQLJO-UHFFFAOYSA-N 0 3 278.352 1.311 20 10 CDCDHN COc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c([O-])c1 ZINC001203634860 939698910 /nfs/dbraw/zinc/69/89/10/939698910.db2.gz YQDDVFTYHZJUHK-SNVBAGLBSA-N 0 3 251.326 1.868 20 10 CDCDHN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206011415 939967162 /nfs/dbraw/zinc/96/71/62/939967162.db2.gz CDVSGSKMFHFLGI-AAEUAGOBSA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206011415 939967165 /nfs/dbraw/zinc/96/71/65/939967165.db2.gz CDVSGSKMFHFLGI-AAEUAGOBSA-N 0 3 292.379 1.897 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001232835470 943414652 /nfs/dbraw/zinc/41/46/52/943414652.db2.gz CSOGRNLBXUVIRD-OCCSQVGLSA-N 0 3 298.333 1.924 20 10 CDCDHN Oc1cc(O)c(CN2CCC3(C[C@@H](F)CO3)CC2)cc1O ZINC001233486400 943594441 /nfs/dbraw/zinc/59/44/41/943594441.db2.gz LVSUMRRJKMRLEZ-LLVKDONJSA-N 0 3 297.326 1.896 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235676909 944242603 /nfs/dbraw/zinc/24/26/03/944242603.db2.gz WVVAGMNLUMFDLR-HIFRSBDPSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235676909 944242614 /nfs/dbraw/zinc/24/26/14/944242614.db2.gz WVVAGMNLUMFDLR-HIFRSBDPSA-N 0 3 293.407 1.865 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001236063096 944396888 /nfs/dbraw/zinc/39/68/88/944396888.db2.gz QPQCHRGKDWHSOQ-UHFFFAOYSA-N 0 3 252.745 1.982 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001238064707 945047097 /nfs/dbraw/zinc/04/70/97/945047097.db2.gz QCAKOOUEMFWCBC-TXEJJXNPSA-N 0 3 251.301 1.918 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001238064707 945047103 /nfs/dbraw/zinc/04/71/03/945047103.db2.gz QCAKOOUEMFWCBC-TXEJJXNPSA-N 0 3 251.301 1.918 20 10 CDCDHN CCO[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214221 949459378 /nfs/dbraw/zinc/45/93/78/949459378.db2.gz IFJKDSGSKRUPTK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN CCO[C@@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214221 949459393 /nfs/dbraw/zinc/45/93/93/949459393.db2.gz IFJKDSGSKRUPTK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COc1cc(C)c(CN2CCN(CCO)[C@H](C)C2)c(O)c1 ZINC001308709228 956568046 /nfs/dbraw/zinc/56/80/46/956568046.db2.gz LJWUYDVYFNQFKP-CYBMUJFWSA-N 0 3 294.395 1.208 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@@H](O)C2CC2)c([O-])c1 ZINC001308743365 956571574 /nfs/dbraw/zinc/57/15/74/956571574.db2.gz VFDFJXSJGMLUIF-CQSZACIVSA-N 0 3 251.326 1.570 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCN1CCOCC1 ZINC000083509775 357102181 /nfs/dbraw/zinc/10/21/81/357102181.db2.gz PFYPEHRIUOCQHR-UHFFFAOYSA-N 0 3 268.332 1.343 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180229689 357253697 /nfs/dbraw/zinc/25/36/97/357253697.db2.gz QNLRJNMZPVQJSP-AWEZNQCLSA-N 0 3 267.300 1.916 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180229689 357253698 /nfs/dbraw/zinc/25/36/98/357253698.db2.gz QNLRJNMZPVQJSP-AWEZNQCLSA-N 0 3 267.300 1.916 20 10 CDCDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000185802662 357579047 /nfs/dbraw/zinc/57/90/47/357579047.db2.gz UKXKOQKHHKBLMQ-GHMZBOCLSA-N 0 3 278.352 1.700 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000191721539 358148565 /nfs/dbraw/zinc/14/85/65/358148565.db2.gz DZZRHBGCBLAWDK-PWSUYJOCSA-N 0 3 281.352 1.470 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000191721539 358148568 /nfs/dbraw/zinc/14/85/68/358148568.db2.gz DZZRHBGCBLAWDK-PWSUYJOCSA-N 0 3 281.352 1.470 20 10 CDCDHN Cc1cc(O)c(CN[C@@H](C)C(=O)N(C)C)cc1C ZINC000191737024 358150291 /nfs/dbraw/zinc/15/02/91/358150291.db2.gz YFSSQMUDGXWWNZ-NSHDSACASA-N 0 3 250.342 1.575 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)CN)cc1F ZINC000167742841 364946876 /nfs/dbraw/zinc/94/68/76/364946876.db2.gz AHMHBKJLAIIMTG-UHFFFAOYSA-N 0 3 253.321 1.247 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000226607533 367372509 /nfs/dbraw/zinc/37/25/09/367372509.db2.gz YHFDFCBMZRFOCR-JTQLQIEISA-N 0 3 266.316 1.632 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1 ZINC000281202907 367604218 /nfs/dbraw/zinc/60/42/18/367604218.db2.gz TTXJRMPESPJDHE-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c1 ZINC000281202907 367604226 /nfs/dbraw/zinc/60/42/26/367604226.db2.gz TTXJRMPESPJDHE-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000282367952 367853065 /nfs/dbraw/zinc/85/30/65/367853065.db2.gz NTLPUNJJVZYBBW-HZMBPMFUSA-N 0 3 279.359 1.506 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000193696416 391344331 /nfs/dbraw/zinc/34/43/31/391344331.db2.gz ZUIVLWCACXULQK-QMTHXVAHSA-N 0 3 260.337 1.236 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCOCC1CC1)OCO2 ZINC000224530130 393122154 /nfs/dbraw/zinc/12/21/54/393122154.db2.gz AUYQWTDSFPRGIJ-UHFFFAOYSA-N 0 3 265.309 1.637 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1[O-] ZINC000038060222 174070945 /nfs/dbraw/zinc/07/09/45/174070945.db2.gz VOUZJJOSIHZPBA-YPMHNXCESA-N 0 3 251.326 1.848 20 10 CDCDHN C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126463756 260352161 /nfs/dbraw/zinc/35/21/61/260352161.db2.gz FDYZOYVICIEFNW-SNVBAGLBSA-N 0 3 264.325 1.264 20 10 CDCDHN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155418032 261101810 /nfs/dbraw/zinc/10/18/10/261101810.db2.gz NASYNRVELQKRSA-ZYHUDNBSSA-N 0 3 279.336 1.856 20 10 CDCDHN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155418032 261101812 /nfs/dbraw/zinc/10/18/12/261101812.db2.gz NASYNRVELQKRSA-ZYHUDNBSSA-N 0 3 279.336 1.856 20 10 CDCDHN CCOC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000185779846 262070474 /nfs/dbraw/zinc/07/04/74/262070474.db2.gz XWDUCUUMFQSBEG-AWEZNQCLSA-N 0 3 290.363 1.942 20 10 CDCDHN Nc1ccc(CCNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000131014228 264365926 /nfs/dbraw/zinc/36/59/26/264365926.db2.gz PWGNOOFMSVJWMT-CYBMUJFWSA-N 0 3 279.409 1.023 20 10 CDCDHN C[C@@H]1COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370187554 267297027 /nfs/dbraw/zinc/29/70/27/267297027.db2.gz XNBMHOHONWEZOJ-HNNXBMFYSA-N 0 3 290.407 1.992 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296584772 280836181 /nfs/dbraw/zinc/83/61/81/280836181.db2.gz UPXCAMUMQGCSLQ-VXGBXAGGSA-N 0 3 298.408 1.297 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1 ZINC000530227345 328718426 /nfs/dbraw/zinc/71/84/26/328718426.db2.gz SJNCFQKQEUBDPI-OLZOCXBDSA-N 0 3 264.369 1.648 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](CO)SC)c1 ZINC000224856914 329244913 /nfs/dbraw/zinc/24/49/13/329244913.db2.gz LPSUYZHFQSZJCF-ZANVPECISA-N 0 3 271.382 1.603 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000219923294 333159336 /nfs/dbraw/zinc/15/93/36/333159336.db2.gz PYVVNMCYZYWACT-ONGXEEELSA-N 0 3 265.309 1.778 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000228056332 333293764 /nfs/dbraw/zinc/29/37/64/333293764.db2.gz GJMZUVSBLACKKG-YWPYICTPSA-N 0 3 265.353 1.891 20 10 CDCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)COC)cc1 ZINC000281000300 520290167 /nfs/dbraw/zinc/29/01/67/520290167.db2.gz NODALVIACUYEJO-JSGCOSHPSA-N 0 3 266.385 1.801 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000130803409 520344030 /nfs/dbraw/zinc/34/40/30/520344030.db2.gz QPYWTLAFSSUQOE-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000130803409 520344038 /nfs/dbraw/zinc/34/40/38/520344038.db2.gz QPYWTLAFSSUQOE-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000278575968 520366561 /nfs/dbraw/zinc/36/65/61/520366561.db2.gz FEAJQRIOXLPWMG-WBMJQRKESA-N 0 3 295.379 1.811 20 10 CDCDHN C[NH+](C)C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128154926 521852015 /nfs/dbraw/zinc/85/20/15/521852015.db2.gz DXVRWNXTVLOAMC-LLVKDONJSA-N 0 3 284.787 1.808 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H]1CCCO1 ZINC000278726645 522365569 /nfs/dbraw/zinc/36/55/69/522365569.db2.gz UAZWACWRSIFOQN-CHWSQXEVSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@@H](NCc1cccc(OC)c1O)[C@H]1CCCO1 ZINC000278726645 522365579 /nfs/dbraw/zinc/36/55/79/522365579.db2.gz UAZWACWRSIFOQN-CHWSQXEVSA-N 0 3 281.352 1.684 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000290301097 524010410 /nfs/dbraw/zinc/01/04/10/524010410.db2.gz YVRHBTBSAAWXIH-JKOKRWQUSA-N 0 3 251.326 1.765 20 10 CDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/CN(C)C ZINC000274904596 524892198 /nfs/dbraw/zinc/89/21/98/524892198.db2.gz HCRPLOSEHWJTSE-ZWNMCFTASA-N 0 3 278.352 1.263 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCNC(=O)C(C)C)c1 ZINC000071406404 525348911 /nfs/dbraw/zinc/34/89/11/525348911.db2.gz UDCSNIJFWIJXSQ-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN COc1cccc(CN(C)[C@H](C)CN2CCOCC2)c1O ZINC000279398020 525918517 /nfs/dbraw/zinc/91/85/17/525918517.db2.gz KSYCKFMWWSTQPH-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279398020 525918526 /nfs/dbraw/zinc/91/85/26/525918526.db2.gz KSYCKFMWWSTQPH-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279398020 525918538 /nfs/dbraw/zinc/91/85/38/525918538.db2.gz KSYCKFMWWSTQPH-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)c([O-])c1O ZINC000275870209 526157262 /nfs/dbraw/zinc/15/72/62/526157262.db2.gz JUGSJCLDTAGRDW-UHFFFAOYSA-N 0 3 278.352 1.620 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769528731 575357199 /nfs/dbraw/zinc/35/71/99/575357199.db2.gz YQGSQZYDWSGMEL-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769528731 575357200 /nfs/dbraw/zinc/35/72/00/575357200.db2.gz YQGSQZYDWSGMEL-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000771933076 575638818 /nfs/dbraw/zinc/63/88/18/575638818.db2.gz BUWCPHPHZOGPCZ-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000771933076 575638820 /nfs/dbraw/zinc/63/88/20/575638820.db2.gz BUWCPHPHZOGPCZ-GFCCVEGCSA-N 0 3 278.352 1.488 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CCCNc1ncccn1 ZINC000751507041 577046374 /nfs/dbraw/zinc/04/63/74/577046374.db2.gz QSKQQRWEFKSNJM-UHFFFAOYSA-N 0 3 258.325 1.774 20 10 CDCDHN COc1ccc(CN2CCOC[C@@H](C)C2)c(O)c1OC ZINC000892077814 617467346 /nfs/dbraw/zinc/46/73/46/617467346.db2.gz ZBUOQSQCQONAOO-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cccc(CN[C@@H]2C(=O)NCC2(C)C)c1O ZINC000895316075 619546277 /nfs/dbraw/zinc/54/62/77/619546277.db2.gz HYOZNIYTSUJRAS-GFCCVEGCSA-N 0 3 264.325 1.015 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000877099265 751831505 /nfs/dbraw/zinc/83/15/05/751831505.db2.gz DUXVZDYOIDJVLG-WFASDCNBSA-N 0 3 264.369 1.509 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000226607477 752312721 /nfs/dbraw/zinc/31/27/21/752312721.db2.gz WZFNLTKYVWYAFW-LBPRGKRZSA-N 0 3 250.317 1.858 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000717696523 752003368 /nfs/dbraw/zinc/00/33/68/752003368.db2.gz LKMFGZMWJYBUSA-SECBINFHSA-N 0 3 267.222 1.934 20 10 CDCDHN CCOCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835756 749368916 /nfs/dbraw/zinc/36/89/16/749368916.db2.gz IZWAPHGIRRMMBJ-CYBMUJFWSA-N 0 3 293.411 1.556 20 10 CDCDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1COCCO1 ZINC000827368168 749381244 /nfs/dbraw/zinc/38/12/44/749381244.db2.gz KQDBVQQCMGQQQA-HNNXBMFYSA-N 0 3 264.369 1.600 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1 ZINC000815120356 749630059 /nfs/dbraw/zinc/63/00/59/749630059.db2.gz HNMUENMAIQRNNL-ZSHCYNCHSA-N 0 3 288.391 1.994 20 10 CDCDHN CC(C)(C)NC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000134592176 749762518 /nfs/dbraw/zinc/76/25/18/749762518.db2.gz VQDJUMQVUUWJAO-UHFFFAOYSA-N 0 3 250.342 1.787 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCN2CCCC2=O)c1 ZINC000093320435 749841892 /nfs/dbraw/zinc/84/18/92/749841892.db2.gz VWYGNRGDFFDVCI-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000866421224 750006814 /nfs/dbraw/zinc/00/68/14/750006814.db2.gz XSULCXBUFYLBEX-ZFNBHVESSA-N 0 3 267.300 1.429 20 10 CDCDHN O=C1[C@H](NCc2ccc3c(c2)CCO3)C[C@H]2CCCCN12 ZINC000835072301 750204074 /nfs/dbraw/zinc/20/40/74/750204074.db2.gz FLBZHHUHDFBIOY-HUUCEWRRSA-N 0 3 286.375 1.865 20 10 CDCDHN COCCOCCCC[NH2+]Cc1ccccc1[O-] ZINC000134232120 750300056 /nfs/dbraw/zinc/30/00/56/750300056.db2.gz FOIUHAROUPHOKV-UHFFFAOYSA-N 0 3 253.342 1.925 20 10 CDCDHN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000796498613 750413171 /nfs/dbraw/zinc/41/31/71/750413171.db2.gz XWIVZEYYGGCKNL-GHMZBOCLSA-N 0 3 279.336 1.883 20 10 CDCDHN CO[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOC1 ZINC000123188527 750666314 /nfs/dbraw/zinc/66/63/14/750666314.db2.gz GOKXDYXFVMDGFI-QMTHXVAHSA-N 0 3 269.316 1.987 20 10 CDCDHN C[C@@H](CN)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000381753359 750812820 /nfs/dbraw/zinc/81/28/20/750812820.db2.gz RPVNEFISKXMMFG-QMMMGPOBSA-N 0 3 273.174 1.934 20 10 CDCDHN C[C@@H](CN)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000381753359 750812821 /nfs/dbraw/zinc/81/28/21/750812821.db2.gz RPVNEFISKXMMFG-QMMMGPOBSA-N 0 3 273.174 1.934 20 10 CDCDHN CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842911133 750831359 /nfs/dbraw/zinc/83/13/59/750831359.db2.gz YAGWUWOGRSEZBI-KCPJHIHWSA-N 0 3 264.369 1.817 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877543858 750858183 /nfs/dbraw/zinc/85/81/83/750858183.db2.gz IKJZTRCBAMHMEN-UHFFFAOYSA-N 0 3 292.379 1.932 20 10 CDCDHN C[C@@H](NC(=O)C1(N)CC1)c1ccc(N2CCOCC2)cc1 ZINC000166247125 750878610 /nfs/dbraw/zinc/87/86/10/750878610.db2.gz PCHMVSGKJASHII-GFCCVEGCSA-N 0 3 289.379 1.192 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775645883 750891416 /nfs/dbraw/zinc/89/14/16/750891416.db2.gz SNFFZKOSLXUFMY-OAHLLOKOSA-N 0 3 289.423 1.659 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000848566923 750927236 /nfs/dbraw/zinc/92/72/36/750927236.db2.gz MFQNJGRAPWGLFE-JTQLQIEISA-N 0 3 288.351 1.176 20 10 CDCDHN O=C(C[NH2+]Cc1ccccc1[O-])NCc1ccccc1 ZINC000037908585 751007583 /nfs/dbraw/zinc/00/75/83/751007583.db2.gz HRYXPDGAVOGZBY-UHFFFAOYSA-N 0 3 270.332 1.798 20 10 CDCDHN CN(C)CCN(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000832158980 751045058 /nfs/dbraw/zinc/04/50/58/751045058.db2.gz VIBTXQCCEDJADD-UHFFFAOYSA-N 0 3 261.369 1.364 20 10 CDCDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000934936269 751110965 /nfs/dbraw/zinc/11/09/65/751110965.db2.gz QQARCTAKCHDIOB-CYBMUJFWSA-N 0 3 262.353 1.881 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000793586189 751171141 /nfs/dbraw/zinc/17/11/41/751171141.db2.gz GQEATZZQLWNLOZ-CHWSQXEVSA-N 0 3 294.395 1.288 20 10 CDCDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000842227176 752794486 /nfs/dbraw/zinc/79/44/86/752794486.db2.gz RSLGWBPRTIPZRR-DZGCQCFKSA-N 0 3 284.375 1.503 20 10 CDCDHN COC(=O)[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179586446 752813220 /nfs/dbraw/zinc/81/32/20/752813220.db2.gz UFRHZZXVMWHFOL-AWEZNQCLSA-N 0 3 279.336 1.138 20 10 CDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000866424734 752966695 /nfs/dbraw/zinc/96/66/95/752966695.db2.gz LERZQTBELXAUIP-UHFFFAOYSA-N 0 3 299.440 1.124 20 10 CDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840826793 753136552 /nfs/dbraw/zinc/13/65/52/753136552.db2.gz VXZNWLJLSFSXRG-LJUAHTATSA-N 0 3 255.289 1.596 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)c([O-])c1 ZINC000846093738 753140594 /nfs/dbraw/zinc/14/05/94/753140594.db2.gz QKINTVHYIBFNEN-GFCCVEGCSA-N 0 3 292.379 1.749 20 10 CDCDHN CCn1nccc1CNCc1cc2c(cc1O)OCO2 ZINC000853093424 753161163 /nfs/dbraw/zinc/16/11/63/753161163.db2.gz KFYCOVOHVZUQHY-UHFFFAOYSA-N 0 3 275.308 1.627 20 10 CDCDHN Cc1cc(O)c(CN2CCC3(C2)OCCO3)cc1C ZINC000093013167 753309632 /nfs/dbraw/zinc/30/96/32/753309632.db2.gz VEMYKEIURUBRIV-UHFFFAOYSA-N 0 3 263.337 1.958 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)c([O-])c1 ZINC000877092867 753432178 /nfs/dbraw/zinc/43/21/78/753432178.db2.gz MEYLTAZDDVSXIK-TZMCWYRMSA-N 0 3 265.353 1.984 20 10 CDCDHN CCOc1cccc(CN(C)[C@]2(CO)CCOC2)c1O ZINC000862427146 753495349 /nfs/dbraw/zinc/49/53/49/753495349.db2.gz UVFPVMGTPZYANG-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc(CN2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000817412141 753500054 /nfs/dbraw/zinc/50/00/54/753500054.db2.gz DTOWEBICBNDVSZ-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000817412141 753500058 /nfs/dbraw/zinc/50/00/58/753500058.db2.gz DTOWEBICBNDVSZ-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000817412141 753500064 /nfs/dbraw/zinc/50/00/64/753500064.db2.gz DTOWEBICBNDVSZ-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883300085 753617516 /nfs/dbraw/zinc/61/75/16/753617516.db2.gz NOAFWPISYCFEMI-NSHDSACASA-N 0 3 299.392 1.458 20 10 CDCDHN CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823788 1165796095 /nfs/dbraw/zinc/79/60/95/1165796095.db2.gz GIMRLVPEKWNMPQ-GFCCVEGCSA-N 0 3 250.342 1.868 20 10 CDCDHN CN1CCOc2cc(CN3CCN4CC[C@H]4C3)ccc21 ZINC001141145670 899787161 /nfs/dbraw/zinc/78/71/61/899787161.db2.gz GAOYSXLXUUETBF-AWEZNQCLSA-N 0 3 273.380 1.405 20 10 CDCDHN CCN1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001172025372 911133186 /nfs/dbraw/zinc/13/31/86/911133186.db2.gz FZRGFKTVDMEHJU-NSHDSACASA-N 0 3 264.325 1.198 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001179849323 916013399 /nfs/dbraw/zinc/01/33/99/916013399.db2.gz CUFNAGRQORFYEJ-LLVKDONJSA-N 0 3 278.352 1.407 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001179849323 916013416 /nfs/dbraw/zinc/01/34/16/916013416.db2.gz CUFNAGRQORFYEJ-LLVKDONJSA-N 0 3 278.352 1.407 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359119 936526093 /nfs/dbraw/zinc/52/60/93/936526093.db2.gz LHEQZQZVXGCOBX-INIZCTEOSA-N 0 3 287.407 1.779 20 10 CDCDHN OC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660436 936736077 /nfs/dbraw/zinc/73/60/77/936736077.db2.gz RNWAJXCJNMRUPT-OAHLLOKOSA-N 0 3 294.370 1.619 20 10 CDCDHN C[NH2+]C[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843044995 937105566 /nfs/dbraw/zinc/10/55/66/937105566.db2.gz PFWYXRNTHUELNE-LLVKDONJSA-N 0 3 252.333 1.963 20 10 CDCDHN CN(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000692466502 937230523 /nfs/dbraw/zinc/23/05/23/937230523.db2.gz LJDNWRRQMYAZMP-GFCCVEGCSA-N 0 3 298.408 1.251 20 10 CDCDHN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC001148225064 932673456 /nfs/dbraw/zinc/67/34/56/932673456.db2.gz CUYGALHDZJLCNT-WCQYABFASA-N 0 3 292.379 1.946 20 10 CDCDHN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC001148225064 932673460 /nfs/dbraw/zinc/67/34/60/932673460.db2.gz CUYGALHDZJLCNT-WCQYABFASA-N 0 3 292.379 1.946 20 10 CDCDHN CN(Cc1cnc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000796439315 935270901 /nfs/dbraw/zinc/27/09/01/935270901.db2.gz NYBRZRNMVBUKOO-UHFFFAOYSA-N 0 3 286.379 1.878 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000281406864 935718145 /nfs/dbraw/zinc/71/81/45/935718145.db2.gz XZJOOMDZSOQOGQ-HIFRSBDPSA-N 0 3 289.379 1.683 20 10 CDCDHN CC[C@H](C(=O)NCc1c(O)cccc1O)N(C)C ZINC001156885271 938428668 /nfs/dbraw/zinc/42/86/68/938428668.db2.gz BPOZSPIFQGEWTJ-SNVBAGLBSA-N 0 3 252.314 1.054 20 10 CDCDHN Oc1ccccc1CN1CCN(c2cncnc2)CC1 ZINC001203558535 939693063 /nfs/dbraw/zinc/69/30/63/939693063.db2.gz MCUNGLRQIJXOOM-UHFFFAOYSA-N 0 3 270.336 1.504 20 10 CDCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203556350 939693519 /nfs/dbraw/zinc/69/35/19/939693519.db2.gz NHLNGCVWXMLURJ-ZDUSSCGKSA-N 0 3 262.353 1.692 20 10 CDCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556350 939693520 /nfs/dbraw/zinc/69/35/20/939693520.db2.gz NHLNGCVWXMLURJ-ZDUSSCGKSA-N 0 3 262.353 1.692 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001203634676 939698968 /nfs/dbraw/zinc/69/89/68/939698968.db2.gz QLZQHRVSDVVJCB-UHFFFAOYSA-N 0 3 291.351 1.048 20 10 CDCDHN CC(C)(C)[N@@H+](Cc1ccc(O)cc1[O-])C[C@@H](O)CO ZINC001204275865 939750045 /nfs/dbraw/zinc/75/00/45/939750045.db2.gz CYXGDOLYNZPXLQ-GFCCVEGCSA-N 0 3 269.341 1.052 20 10 CDCDHN CC(C)(C)[N@H+](Cc1ccc(O)cc1[O-])C[C@@H](O)CO ZINC001204275865 939750047 /nfs/dbraw/zinc/75/00/47/939750047.db2.gz CYXGDOLYNZPXLQ-GFCCVEGCSA-N 0 3 269.341 1.052 20 10 CDCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)C1CC1 ZINC001204274740 939749928 /nfs/dbraw/zinc/74/99/28/939749928.db2.gz IDABWGIAPRTLPE-UHFFFAOYSA-N 0 3 290.363 1.588 20 10 CDCDHN OC[C@@H]1CN(Cc2ccc(O)cc2O)CCC1(F)F ZINC001204277237 939751137 /nfs/dbraw/zinc/75/11/37/939751137.db2.gz WZSLHQPUEJLUJE-JTQLQIEISA-N 0 3 273.279 1.547 20 10 CDCDHN COc1cc(CN2CCC3(CN(C)C3)C2)cc(O)c1O ZINC001204349849 939759661 /nfs/dbraw/zinc/75/96/61/939759661.db2.gz YBUULRFLFWCKNR-UHFFFAOYSA-N 0 3 278.352 1.244 20 10 CDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277440767 942574920 /nfs/dbraw/zinc/57/49/20/942574920.db2.gz DNIHAZCGQYYLII-IAQYHMDHSA-N 0 3 296.317 1.595 20 10 CDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277440767 942574924 /nfs/dbraw/zinc/57/49/24/942574924.db2.gz DNIHAZCGQYYLII-IAQYHMDHSA-N 0 3 296.317 1.595 20 10 CDCDHN COc1cc(CN2CCOC[C@@H](C)C2)c(O)cc1O ZINC001231634658 942949282 /nfs/dbraw/zinc/94/92/82/942949282.db2.gz QGZRLISZYFPLRZ-JTQLQIEISA-N 0 3 267.325 1.575 20 10 CDCDHN COc1cc(CN2CC(N3CCCCC3)C2)c(O)cc1O ZINC001231637186 942953757 /nfs/dbraw/zinc/95/37/57/942953757.db2.gz IIDFDCDBTPAGDC-UHFFFAOYSA-N 0 3 292.379 1.777 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482691 943590989 /nfs/dbraw/zinc/59/09/89/943590989.db2.gz YMLSWGPOOKCVJA-VIFPVBQESA-N 0 3 281.308 1.188 20 10 CDCDHN CC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486316 943593760 /nfs/dbraw/zinc/59/37/60/943593760.db2.gz IKIXCUPMCSNQBX-SNVBAGLBSA-N 0 3 265.309 1.604 20 10 CDCDHN CN(CCO)Cc1c(O)cccc1OC(F)(F)F ZINC001236255911 944438778 /nfs/dbraw/zinc/43/87/78/944438778.db2.gz JGOOSUOOBLEGRE-UHFFFAOYSA-N 0 3 265.231 1.715 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001236808055 944575223 /nfs/dbraw/zinc/57/52/23/944575223.db2.gz LBQOQTGKTKPNTC-HNNXBMFYSA-N 0 3 265.353 1.914 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001236808055 944575226 /nfs/dbraw/zinc/57/52/26/944575226.db2.gz LBQOQTGKTKPNTC-HNNXBMFYSA-N 0 3 265.353 1.914 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001238060712 945044446 /nfs/dbraw/zinc/04/44/46/945044446.db2.gz IDSFXLUQXPPNBN-MRXNPFEDSA-N 0 3 292.354 1.942 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001238060712 945044454 /nfs/dbraw/zinc/04/44/54/945044454.db2.gz IDSFXLUQXPPNBN-MRXNPFEDSA-N 0 3 292.354 1.942 20 10 CDCDHN CC(=O)N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001254429036 947440955 /nfs/dbraw/zinc/44/09/55/947440955.db2.gz ADEOGNJXBKPVKT-UHFFFAOYSA-N 0 3 274.364 1.761 20 10 CDCDHN CC(=O)N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001254429036 947440961 /nfs/dbraw/zinc/44/09/61/947440961.db2.gz ADEOGNJXBKPVKT-UHFFFAOYSA-N 0 3 274.364 1.761 20 10 CDCDHN COc1cc(C)c(CN2CCN(CCO)[C@@H](C)C2)c(O)c1 ZINC001308709230 956567420 /nfs/dbraw/zinc/56/74/20/956567420.db2.gz LJWUYDVYFNQFKP-ZDUSSCGKSA-N 0 3 294.395 1.208 20 10 CDCDHN C[C@H](C(=O)NCc1cccc(O)c1O)N1CCCCCC1 ZINC001528771819 968927659 /nfs/dbraw/zinc/92/76/59/968927659.db2.gz ZWEIYIRYIHKSKA-GFCCVEGCSA-N 0 3 292.379 1.979 20 10 CDCDHN CC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000130597896 342216421 /nfs/dbraw/zinc/21/64/21/342216421.db2.gz ISWNBIYGFSYDNN-LLVKDONJSA-N 0 3 263.341 1.215 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000295139988 199368406 /nfs/dbraw/zinc/36/84/06/199368406.db2.gz ZKXMSBMNSVWMOW-OAHLLOKOSA-N 0 3 297.326 1.543 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000295139988 199368407 /nfs/dbraw/zinc/36/84/07/199368407.db2.gz ZKXMSBMNSVWMOW-OAHLLOKOSA-N 0 3 297.326 1.543 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036794998 356253396 /nfs/dbraw/zinc/25/33/96/356253396.db2.gz KFYBGPJZROMKDV-VHSXEESVSA-N 0 3 266.341 1.576 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000180200601 357251229 /nfs/dbraw/zinc/25/12/29/357251229.db2.gz JNUHXOMKWOMMFM-ZDUSSCGKSA-N 0 3 294.370 1.685 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000180200601 357251231 /nfs/dbraw/zinc/25/12/31/357251231.db2.gz JNUHXOMKWOMMFM-ZDUSSCGKSA-N 0 3 294.370 1.685 20 10 CDCDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccccc1[O-] ZINC000185871500 357587738 /nfs/dbraw/zinc/58/77/38/357587738.db2.gz SVWMWRSWTNYZDF-CQSZACIVSA-N 0 3 277.412 1.508 20 10 CDCDHN COCCO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000188827417 357942564 /nfs/dbraw/zinc/94/25/64/357942564.db2.gz QCRSOIWSSNOKPV-MRXNPFEDSA-N 0 3 278.396 1.990 20 10 CDCDHN CCOCCOCCN(C)Cc1cc(OC)ccc1O ZINC000191573007 358139605 /nfs/dbraw/zinc/13/96/05/358139605.db2.gz QLRWPISFHIKVKP-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCn1cc(CNCc2cc(OC)ccc2O)cn1 ZINC000114506047 359479289 /nfs/dbraw/zinc/47/92/89/359479289.db2.gz RTZJTRRQDDKUED-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN COC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000230672282 360338834 /nfs/dbraw/zinc/33/88/34/360338834.db2.gz UAXGCNQWTMEHAN-MWLCHTKSSA-N 0 3 257.305 1.843 20 10 CDCDHN COCC1(O)CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000271213916 364976514 /nfs/dbraw/zinc/97/65/14/364976514.db2.gz ZTJWOPGCVLRFJF-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@H](COC)OC)c([O-])c1 ZINC000272709216 365360689 /nfs/dbraw/zinc/36/06/89/365360689.db2.gz UXDHCSMPGZSCEO-CQSZACIVSA-N 0 3 283.368 1.932 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([O-])c1O ZINC000293841314 370820710 /nfs/dbraw/zinc/82/07/10/370820710.db2.gz IZVIEKPWCPHPOT-MRXNPFEDSA-N 0 3 290.363 1.574 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([O-])c1O ZINC000293841314 370820714 /nfs/dbraw/zinc/82/07/14/370820714.db2.gz IZVIEKPWCPHPOT-MRXNPFEDSA-N 0 3 290.363 1.574 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530222894 368151620 /nfs/dbraw/zinc/15/16/20/368151620.db2.gz IFRSVMLDUNUISP-ZYHUDNBSSA-N 0 3 284.787 1.993 20 10 CDCDHN COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294113379 371354452 /nfs/dbraw/zinc/35/44/52/371354452.db2.gz CZQDCFSUFPYJTP-HNNXBMFYSA-N 0 3 279.336 1.979 20 10 CDCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000294113379 371354462 /nfs/dbraw/zinc/35/44/62/371354462.db2.gz CZQDCFSUFPYJTP-HNNXBMFYSA-N 0 3 279.336 1.979 20 10 CDCDHN NCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237981766 376008205 /nfs/dbraw/zinc/00/82/05/376008205.db2.gz RYNIVZSOMFBROM-SNVBAGLBSA-N 0 3 299.321 1.332 20 10 CDCDHN C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000295944513 378703312 /nfs/dbraw/zinc/70/33/12/378703312.db2.gz LQTDIGAFYZLPFZ-DRZCJDIDSA-N 0 3 277.364 1.681 20 10 CDCDHN CN(C)c1ccc(CNC[C@]2(O)CCOC2)cc1F ZINC000270034774 391262631 /nfs/dbraw/zinc/26/26/31/391262631.db2.gz YYDKOWNZGLJTFQ-CQSZACIVSA-N 0 3 268.332 1.133 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1[O-] ZINC000183543289 391266993 /nfs/dbraw/zinc/26/69/93/391266993.db2.gz ALIGPDPJCLREIP-ZWNOBZJWSA-N 0 3 253.367 1.911 20 10 CDCDHN COCCOCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000288711067 397879663 /nfs/dbraw/zinc/87/96/63/397879663.db2.gz VGMFIVKWVDONSB-UHFFFAOYSA-N 0 3 283.324 1.216 20 10 CDCDHN CCOc1cccc(C[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000038047182 174057022 /nfs/dbraw/zinc/05/70/22/174057022.db2.gz DLWFZPNFFSYCRK-UHFFFAOYSA-N 0 3 287.381 1.315 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060813 174071613 /nfs/dbraw/zinc/07/16/13/174071613.db2.gz XVFDLGQVYUCQPD-NWDGAFQWSA-N 0 3 251.326 1.767 20 10 CDCDHN C[C@@H]([NH2+]CC1(CO)COC1)c1cc(F)ccc1[O-] ZINC000186146597 262081954 /nfs/dbraw/zinc/08/19/54/262081954.db2.gz DIGUVKNTCRUCTH-SECBINFHSA-N 0 3 255.289 1.191 20 10 CDCDHN C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000125562111 262606461 /nfs/dbraw/zinc/60/64/61/262606461.db2.gz KNYOMDZVZUDCGJ-HOGDKLEQSA-N 0 3 285.365 1.368 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1OC ZINC000271811179 328197596 /nfs/dbraw/zinc/19/75/96/328197596.db2.gz KUBNBDIFRWDNJB-QWRGUYRKSA-N 0 3 281.352 1.924 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c([O-])c1 ZINC000093899431 327146169 /nfs/dbraw/zinc/14/61/69/327146169.db2.gz HKWCZOQQQBGLGL-GFCCVEGCSA-N 0 3 294.395 1.995 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)NC)c([O-])c1 ZINC000093899431 327146170 /nfs/dbraw/zinc/14/61/70/327146170.db2.gz HKWCZOQQQBGLGL-GFCCVEGCSA-N 0 3 294.395 1.995 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC1 ZINC000135204736 334119641 /nfs/dbraw/zinc/11/96/41/334119641.db2.gz VKVIYUQZRFAUCM-ZJUUUORDSA-N 0 3 265.309 1.636 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1OC ZINC000274847863 520368607 /nfs/dbraw/zinc/36/86/07/520368607.db2.gz ATWGTJDAUXKUNH-MRVWCRGKSA-N 0 3 269.316 1.813 20 10 CDCDHN CN(C)C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000128097859 521852639 /nfs/dbraw/zinc/85/26/39/521852639.db2.gz DZJPXFPQMZCVDF-MRXNPFEDSA-N 0 3 277.412 1.515 20 10 CDCDHN CN(C)c1ccc(CN(C)CCOCCO)cc1 ZINC000265921086 522170619 /nfs/dbraw/zinc/17/06/19/522170619.db2.gz YHNCBVMHCCWMGO-UHFFFAOYSA-N 0 3 252.358 1.193 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H]2CN(C)CCN2C)cc1 ZINC000068803374 522207707 /nfs/dbraw/zinc/20/77/07/522207707.db2.gz NWHPCOUEXRYQBC-MRXNPFEDSA-N 0 3 276.428 1.088 20 10 CDCDHN COC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000264936200 523069292 /nfs/dbraw/zinc/06/92/92/523069292.db2.gz RHCJUNIPCXHUTL-UHFFFAOYSA-N 0 3 295.335 1.894 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000264936200 523069297 /nfs/dbraw/zinc/06/92/97/523069297.db2.gz RHCJUNIPCXHUTL-UHFFFAOYSA-N 0 3 295.335 1.894 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000281010304 524752140 /nfs/dbraw/zinc/75/21/40/524752140.db2.gz YMEILJIZRUDXHW-WCQYABFASA-N 0 3 281.352 1.135 20 10 CDCDHN C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(F)ccc1[O-] ZINC000280936824 525303973 /nfs/dbraw/zinc/30/39/73/525303973.db2.gz SEMPMPIHPCGCCC-ZETCQYMHSA-N 0 3 276.258 1.563 20 10 CDCDHN COc1cccc(CN[C@@H]2CCCCNC2=O)c1O ZINC000036977254 526032828 /nfs/dbraw/zinc/03/28/28/526032828.db2.gz FIIYYZRJFMEKJK-LLVKDONJSA-N 0 3 264.325 1.159 20 10 CDCDHN CCN(C)c1ccc(CN2CCNC(=O)C[C@@H]2C)cc1 ZINC000773811894 575839434 /nfs/dbraw/zinc/83/94/34/575839434.db2.gz DJHWXAGGUBDSDY-ZDUSSCGKSA-N 0 3 275.396 1.853 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000768141179 576260383 /nfs/dbraw/zinc/26/03/83/576260383.db2.gz QSSLKWHGOSKRGT-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000768141179 576260385 /nfs/dbraw/zinc/26/03/85/576260385.db2.gz QSSLKWHGOSKRGT-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCO)CC2)c1 ZINC000768319990 576271587 /nfs/dbraw/zinc/27/15/87/576271587.db2.gz OUYKWPSFUGJPJT-UHFFFAOYSA-N 0 3 292.379 1.021 20 10 CDCDHN OCCCCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769396139 576351558 /nfs/dbraw/zinc/35/15/58/576351558.db2.gz WEZDDKFUSXCDNP-UHFFFAOYSA-N 0 3 298.814 1.936 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCC1 ZINC000761218322 576560782 /nfs/dbraw/zinc/56/07/82/576560782.db2.gz AZWRBRGWGAGRDV-UHFFFAOYSA-N 0 3 265.309 1.468 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCC1 ZINC000761218322 576560784 /nfs/dbraw/zinc/56/07/84/576560784.db2.gz AZWRBRGWGAGRDV-UHFFFAOYSA-N 0 3 265.309 1.468 20 10 CDCDHN CCN(C)c1ccc(CN2CCN(CCO)CC2)cc1 ZINC000741753317 576570767 /nfs/dbraw/zinc/57/07/67/576570767.db2.gz SSSHCUCFLZYNHH-UHFFFAOYSA-N 0 3 277.412 1.253 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCCn2cncn2)cc1C ZINC000742369397 576597847 /nfs/dbraw/zinc/59/78/47/576597847.db2.gz FDCRXHNXDHAQDO-UHFFFAOYSA-N 0 3 260.341 1.780 20 10 CDCDHN COc1cc(C)cc(CN2CCN(C[C@@H](C)O)CC2)c1O ZINC000894001140 618242544 /nfs/dbraw/zinc/24/25/44/618242544.db2.gz JGAZYLVWRXHNQS-CYBMUJFWSA-N 0 3 294.395 1.208 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000818233887 618503374 /nfs/dbraw/zinc/50/33/74/618503374.db2.gz QEOFEZULEXRYIX-LBPRGKRZSA-N 0 3 292.335 1.028 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC2(C)C)c1 ZINC000895317054 619547846 /nfs/dbraw/zinc/54/78/46/619547846.db2.gz LXZNWLFTWAJUJD-CYBMUJFWSA-N 0 3 278.352 1.405 20 10 CDCDHN COCC1CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000895971810 619929134 /nfs/dbraw/zinc/92/91/34/619929134.db2.gz TVGDTKJNEDETOX-UHFFFAOYSA-N 0 3 267.325 1.488 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]Cc2cnnn2C)cc1Cl ZINC000825940096 630643121 /nfs/dbraw/zinc/64/31/21/630643121.db2.gz LTXNHEUVFGTXJB-UHFFFAOYSA-N 0 3 266.732 1.772 20 10 CDCDHN O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000921813505 633315927 /nfs/dbraw/zinc/31/59/27/633315927.db2.gz FPOGUTXXZLKFTR-AWEZNQCLSA-N 0 3 286.375 1.865 20 10 CDCDHN Cc1cc([O-])c(CN2CC[NH2+][C@@H](CCO)C2)cc1Cl ZINC001579637962 1172230405 /nfs/dbraw/zinc/23/04/05/1172230405.db2.gz KYLOIDGBPKCRCV-LBPRGKRZSA-N 0 3 284.787 1.510 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2COCO2)c([O-])c1 ZINC000894874029 755420960 /nfs/dbraw/zinc/42/09/60/755420960.db2.gz VCOUCPAKLYIEMQ-GFCCVEGCSA-N 0 3 253.298 1.253 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([O-])c1 ZINC000877656715 753899138 /nfs/dbraw/zinc/89/91/38/753899138.db2.gz QAXAPBREIAVEIR-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([O-])c1 ZINC000877656715 753899139 /nfs/dbraw/zinc/89/91/39/753899139.db2.gz QAXAPBREIAVEIR-IYBDPMFKSA-N 0 3 279.380 1.513 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877118662 754075043 /nfs/dbraw/zinc/07/50/43/754075043.db2.gz JJTQYEDVSWBRGJ-LBPRGKRZSA-N 0 3 298.408 1.072 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000399107934 754132629 /nfs/dbraw/zinc/13/26/29/754132629.db2.gz JEJZSCMVHFJAQD-CQSZACIVSA-N 0 3 261.369 1.496 20 10 CDCDHN CO[C@@]1(C[NH2+][C@H](C)c2ccccc2[O-])CCOC1 ZINC000123273522 754452585 /nfs/dbraw/zinc/45/25/85/754452585.db2.gz VVBMCXOHQDRXEL-BXUZGUMPSA-N 0 3 251.326 1.848 20 10 CDCDHN CCn1cnnc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783522431 754549104 /nfs/dbraw/zinc/54/91/04/754549104.db2.gz NUBFAWKVUUGCCF-NSHDSACASA-N 0 3 260.341 1.897 20 10 CDCDHN COc1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1C ZINC000863648812 754669397 /nfs/dbraw/zinc/66/93/97/754669397.db2.gz KCDUGHKLKCIMGU-UHFFFAOYSA-N 0 3 288.351 1.248 20 10 CDCDHN Cc1ccc(O)c(CN2CCC(NS(C)(=O)=O)CC2)c1 ZINC000123498773 754692852 /nfs/dbraw/zinc/69/28/52/754692852.db2.gz JMKBPWVOQJUNQR-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989749 754755632 /nfs/dbraw/zinc/75/56/32/754755632.db2.gz UCXQBKHUOLFQJE-LBPRGKRZSA-N 0 3 292.379 1.963 20 10 CDCDHN COCC(COC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000388453083 754822525 /nfs/dbraw/zinc/82/25/25/754822525.db2.gz ZDFHYNQIMPKAJG-LBPRGKRZSA-N 0 3 251.326 1.631 20 10 CDCDHN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000825045872 754904440 /nfs/dbraw/zinc/90/44/40/754904440.db2.gz NHZHDROYLUXZDD-JTQLQIEISA-N 0 3 263.316 1.986 20 10 CDCDHN Cn1cncc1CNCc1cc2c(cc1O)OCO2 ZINC000388379765 755181913 /nfs/dbraw/zinc/18/19/13/755181913.db2.gz KPGVTHCTXATDNE-UHFFFAOYSA-N 0 3 261.281 1.144 20 10 CDCDHN CCOc1ccc(C[NH2+]CC(=O)N(C)CC)c([O-])c1 ZINC000775362198 755370446 /nfs/dbraw/zinc/37/04/46/755370446.db2.gz JXKZMNOVDMJFCC-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(F)ccc1[O-] ZINC000704357536 755419484 /nfs/dbraw/zinc/41/94/84/755419484.db2.gz QYRWXTPQPCAGAQ-CABZTGNLSA-N 0 3 266.316 1.803 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000877559135 755686054 /nfs/dbraw/zinc/68/60/54/755686054.db2.gz RXCGJNCCRATYJF-OAHLLOKOSA-N 0 3 278.396 1.637 20 10 CDCDHN Cn1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000883283595 755795826 /nfs/dbraw/zinc/79/58/26/755795826.db2.gz LHKFVHNLLXAEKY-UHFFFAOYSA-N 0 3 299.422 1.462 20 10 CDCDHN COCCN(C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868217257 755859299 /nfs/dbraw/zinc/85/92/99/755859299.db2.gz RTQNSIXEORTKNG-GFCCVEGCSA-N 0 3 295.383 1.331 20 10 CDCDHN COC[C@@]1(CO)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825158399 755908358 /nfs/dbraw/zinc/90/83/58/755908358.db2.gz KLKKUAHKPYDUFC-INIZCTEOSA-N 0 3 296.386 1.723 20 10 CDCDHN CCN1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000824887095 756059806 /nfs/dbraw/zinc/05/98/06/756059806.db2.gz PSTRRQALPBOHBY-LBPRGKRZSA-N 0 3 279.359 1.602 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817952617 756168762 /nfs/dbraw/zinc/16/87/62/756168762.db2.gz RWIMDHOHGIXWFU-JQWIXIFHSA-N 0 3 278.352 1.581 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000877459416 756344467 /nfs/dbraw/zinc/34/44/67/756344467.db2.gz GKHABOIBJDPQRX-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1ccc2c(c1)CCO2 ZINC000312883973 756384691 /nfs/dbraw/zinc/38/46/91/756384691.db2.gz HTRURZQPGJMLLQ-UHFFFAOYSA-N 0 3 262.353 1.626 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000834897962 756511333 /nfs/dbraw/zinc/51/13/33/756511333.db2.gz XSULCXBUFYLBEX-DLYFRVTGSA-N 0 3 267.300 1.429 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877460520 756666427 /nfs/dbraw/zinc/66/64/27/756666427.db2.gz UHOQGCRWPQXOMO-ZDUSSCGKSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877460520 756666432 /nfs/dbraw/zinc/66/64/32/756666432.db2.gz UHOQGCRWPQXOMO-ZDUSSCGKSA-N 0 3 265.353 1.938 20 10 CDCDHN C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981629 756691730 /nfs/dbraw/zinc/69/17/30/756691730.db2.gz MDGLMWSXNSWLSE-KOLCDFICSA-N 0 3 286.322 1.700 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000865736843 756698290 /nfs/dbraw/zinc/69/82/90/756698290.db2.gz RYANUEWKLLJPIJ-STQMWFEESA-N 0 3 251.326 1.794 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@]2(CCOC2)C1 ZINC000877399723 756840330 /nfs/dbraw/zinc/84/03/30/756840330.db2.gz RPJWWXVZZWPMFV-OAHLLOKOSA-N 0 3 263.337 1.692 20 10 CDCDHN CNC(=O)[C@H](CCSC)NCc1cc(OC)ccc1O ZINC000809784224 756867261 /nfs/dbraw/zinc/86/72/61/756867261.db2.gz IVIIMAHQKXMHBG-LBPRGKRZSA-N 0 3 298.408 1.358 20 10 CDCDHN CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000886856082 757629406 /nfs/dbraw/zinc/62/94/06/757629406.db2.gz FPRXIFFBBMJFCG-CYBMUJFWSA-N 0 3 280.343 1.918 20 10 CDCDHN CON(C)C(=O)[C@@H](C)NCc1ccc(C)cc1O ZINC000877660080 758784827 /nfs/dbraw/zinc/78/48/27/758784827.db2.gz ILNAFNXPOATSLI-SNVBAGLBSA-N 0 3 252.314 1.199 20 10 CDCDHN NC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054543738 1166956438 /nfs/dbraw/zinc/95/64/38/1166956438.db2.gz MILXFHUSUBRERO-GFCCVEGCSA-N 0 3 270.332 1.853 20 10 CDCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054543738 1166956443 /nfs/dbraw/zinc/95/64/43/1166956443.db2.gz MILXFHUSUBRERO-GFCCVEGCSA-N 0 3 270.332 1.853 20 10 CDCDHN [O-]c1cc(Br)ccc1CN[C@@H]1C[NH2+]CC12CC2 ZINC001580888688 1167725567 /nfs/dbraw/zinc/72/55/67/1167725567.db2.gz VXHRNDTXERRBPW-GFCCVEGCSA-N 0 3 297.196 1.996 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236284187 914853878 /nfs/dbraw/zinc/85/38/78/914853878.db2.gz BAUHWZQBTLGMNL-ONGXEEELSA-N 0 3 268.744 1.458 20 10 CDCDHN CCC(=O)N(C)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278159 916582241 /nfs/dbraw/zinc/58/22/41/916582241.db2.gz VVPPCONFCNOKJH-UHFFFAOYSA-N 0 3 292.379 1.931 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063700 936675423 /nfs/dbraw/zinc/67/54/23/936675423.db2.gz WHHXPJNSKPUUET-NHYWBVRUSA-N 0 3 295.310 1.153 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063700 936675425 /nfs/dbraw/zinc/67/54/25/936675425.db2.gz WHHXPJNSKPUUET-NHYWBVRUSA-N 0 3 295.310 1.153 20 10 CDCDHN Cc1ccc(O)c(CN2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001140617553 936731257 /nfs/dbraw/zinc/73/12/57/936731257.db2.gz TYQDAOWRRBIFCP-AAEUAGOBSA-N 0 3 253.317 1.853 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203876020 925120220 /nfs/dbraw/zinc/12/02/20/925120220.db2.gz ZSJRNRQCACDBLW-ZYHUDNBSSA-N 0 3 251.326 1.691 20 10 CDCDHN CC(C)(C)c1cccc(CN2CCOC[C@@H](O)C2)c1O ZINC001143103818 937120750 /nfs/dbraw/zinc/12/07/50/937120750.db2.gz KWLKMYHJDQEIOE-ZDUSSCGKSA-N 0 3 279.380 1.883 20 10 CDCDHN CC(C)N(C(=O)c1cccc(O)c1[O-])C(C)(C)C[NH3+] ZINC001148225909 932673523 /nfs/dbraw/zinc/67/35/23/932673523.db2.gz WRLHYOBAIFCUBQ-UHFFFAOYSA-N 0 3 266.341 1.686 20 10 CDCDHN Nc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC001120371079 937796470 /nfs/dbraw/zinc/79/64/70/937796470.db2.gz OYPTZQXCLPDMPH-UHFFFAOYSA-N 0 3 274.368 1.258 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2F)N(C)C)cc1 ZINC001121170464 937859735 /nfs/dbraw/zinc/85/97/35/937859735.db2.gz HIYSSAGVYFAYCK-ZNMIVQPWSA-N 0 3 293.386 1.830 20 10 CDCDHN [NH3+]C[C@]1(F)CCCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001157765347 938542822 /nfs/dbraw/zinc/54/28/22/938542822.db2.gz REUFPGWIIFMKMJ-AWEZNQCLSA-N 0 3 298.314 1.097 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001203620415 939696517 /nfs/dbraw/zinc/69/65/17/939696517.db2.gz FBEQFMYXKKPFDE-DGCLKSJQSA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001203620415 939696518 /nfs/dbraw/zinc/69/65/18/939696518.db2.gz FBEQFMYXKKPFDE-DGCLKSJQSA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(CN2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001203620415 939696521 /nfs/dbraw/zinc/69/65/21/939696521.db2.gz FBEQFMYXKKPFDE-DGCLKSJQSA-N 0 3 255.289 1.306 20 10 CDCDHN CC(C)(C(N)=O)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204279387 939751859 /nfs/dbraw/zinc/75/18/59/939751859.db2.gz XKUJUKJCGXSHBY-UHFFFAOYSA-N 0 3 292.379 1.821 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000400150631 940843310 /nfs/dbraw/zinc/84/33/10/940843310.db2.gz BJAPDAABRWUPOD-NWDGAFQWSA-N 0 3 298.408 1.385 20 10 CDCDHN Cc1cc(C)c(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001231843828 943025391 /nfs/dbraw/zinc/02/53/91/943025391.db2.gz GVTKXYWOPSOJTP-UKPHBRMFSA-N 0 3 291.391 1.981 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC12CC2 ZINC001233487684 943595915 /nfs/dbraw/zinc/59/59/15/943595915.db2.gz ODZBNYPXEPDDID-JTQLQIEISA-N 0 3 293.319 1.188 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)cc2O)C[C@H]1C ZINC001233487500 943596375 /nfs/dbraw/zinc/59/63/75/943596375.db2.gz GKCCDRFATFOFKX-SNVBAGLBSA-N 0 3 266.341 1.329 20 10 CDCDHN [O-]c1cc(Cl)ccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051681 944024682 /nfs/dbraw/zinc/02/46/82/944024682.db2.gz BEUGBFFABAGGTO-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN [NH3+][C@]12CC[C@@H]1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001235988240 944352126 /nfs/dbraw/zinc/35/21/26/944352126.db2.gz FYDWAHBFBOMAGJ-RNCFNFMXSA-N 0 3 268.744 1.674 20 10 CDCDHN COCCN1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236807398 944573373 /nfs/dbraw/zinc/57/33/73/944573373.db2.gz GQHGPZIEDLORER-UHFFFAOYSA-N 0 3 294.395 1.473 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001236808454 944576417 /nfs/dbraw/zinc/57/64/17/944576417.db2.gz PMAHZXWUOQVICN-TXEJJXNPSA-N 0 3 263.337 1.787 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001236808454 944576421 /nfs/dbraw/zinc/57/64/21/944576421.db2.gz PMAHZXWUOQVICN-TXEJJXNPSA-N 0 3 263.337 1.787 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237495621 944815848 /nfs/dbraw/zinc/81/58/48/944815848.db2.gz SXJFFLKMZFHVOZ-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237495621 944815855 /nfs/dbraw/zinc/81/58/55/944815855.db2.gz SXJFFLKMZFHVOZ-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN COc1cc(CN2CCC[C@@H](O)C2)c(O)c(OC)c1 ZINC001237674580 944917899 /nfs/dbraw/zinc/91/78/99/944917899.db2.gz JAJFZTZOOOMWLH-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN Cc1cc(F)cc(CN2CC(N3CCN(C)CC3)C2)c1O ZINC001238067329 945048092 /nfs/dbraw/zinc/04/80/92/945048092.db2.gz ODUIFNFEEKCEEN-UHFFFAOYSA-N 0 3 293.386 1.271 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC001252962591 951720763 /nfs/dbraw/zinc/72/07/63/951720763.db2.gz DSXHOZOZOCVLSM-UHFFFAOYSA-N 0 3 265.353 1.756 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC001252962591 951720767 /nfs/dbraw/zinc/72/07/67/951720767.db2.gz DSXHOZOZOCVLSM-UHFFFAOYSA-N 0 3 265.353 1.756 20 10 CDCDHN CCCN1CCCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001304049636 956155765 /nfs/dbraw/zinc/15/57/65/956155765.db2.gz AYXUXGMCQAZUSO-ZDUSSCGKSA-N 0 3 292.379 1.979 20 10 CDCDHN O=C(c1cccc2c1CCNC2)N1CCCc2n[nH]cc21 ZINC001343283667 963943930 /nfs/dbraw/zinc/94/39/30/963943930.db2.gz PMCQGIDIJFFJGO-UHFFFAOYSA-N 0 3 282.347 1.648 20 10 CDCDHN C[C@H]1CC[N@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC001347824604 965712289 /nfs/dbraw/zinc/71/22/89/965712289.db2.gz BZDAKRNYGNMCQD-JTQLQIEISA-N 0 3 264.325 1.169 20 10 CDCDHN C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC001347824604 965712301 /nfs/dbraw/zinc/71/23/01/965712301.db2.gz BZDAKRNYGNMCQD-JTQLQIEISA-N 0 3 264.325 1.169 20 10 CDCDHN CCCN(CCC)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483852 342428839 /nfs/dbraw/zinc/42/88/39/342428839.db2.gz UKMBZVLJMAZFLL-CALCHBBNSA-N 0 3 292.423 1.850 20 10 CDCDHN CN(C)c1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000278498257 282290767 /nfs/dbraw/zinc/29/07/67/282290767.db2.gz NFVVOCFJACHHJD-HNNXBMFYSA-N 0 3 264.369 1.384 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180123882 357244723 /nfs/dbraw/zinc/24/47/23/357244723.db2.gz OYMUOCRLEWBXAC-CYBMUJFWSA-N 0 3 250.317 1.811 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000180123882 357244726 /nfs/dbraw/zinc/24/47/26/357244726.db2.gz OYMUOCRLEWBXAC-CYBMUJFWSA-N 0 3 250.317 1.811 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](C)CCCO)cc1OC ZINC000294673143 199128888 /nfs/dbraw/zinc/12/88/88/199128888.db2.gz BANKEVMDARHYSO-NSHDSACASA-N 0 3 283.368 1.908 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000294821379 199198538 /nfs/dbraw/zinc/19/85/38/199198538.db2.gz OXHBTYPSXYHLRG-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000092643859 358558617 /nfs/dbraw/zinc/55/86/17/358558617.db2.gz PQHABFTUOKXTIO-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092643859 358558618 /nfs/dbraw/zinc/55/86/18/358558618.db2.gz PQHABFTUOKXTIO-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092643859 358558621 /nfs/dbraw/zinc/55/86/21/358558621.db2.gz PQHABFTUOKXTIO-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCN(C)CC1 ZINC000113336628 359394923 /nfs/dbraw/zinc/39/49/23/359394923.db2.gz NAJXYGXMWPDXGV-GFCCVEGCSA-N 0 3 297.830 1.771 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)C1CCOCC1)CC2 ZINC000296733226 199982912 /nfs/dbraw/zinc/98/29/12/199982912.db2.gz JBRGYAPUJQYNIO-HIFRSBDPSA-N 0 3 277.364 1.757 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296880377 200024006 /nfs/dbraw/zinc/02/40/06/200024006.db2.gz OEJBZQZOXAAAQO-CMPLNLGQSA-N 0 3 283.393 1.792 20 10 CDCDHN COc1ccc(N2CCN(C[C@H](O)C(C)C)CC2)cc1 ZINC000124055859 360886192 /nfs/dbraw/zinc/88/61/92/360886192.db2.gz NZNAVQFLQHZZEA-INIZCTEOSA-N 0 3 278.396 1.834 20 10 CDCDHN Cc1ccc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490430 365501097 /nfs/dbraw/zinc/50/10/97/365501097.db2.gz OCMBNWPAKVOWNH-RISCZKNCSA-N 0 3 275.352 1.818 20 10 CDCDHN CCOc1cccc(C[NH2+]CCCOCCO)c1[O-] ZINC000227335352 367395105 /nfs/dbraw/zinc/39/51/05/367395105.db2.gz YCWNXBKOQVBYKC-UHFFFAOYSA-N 0 3 269.341 1.280 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296618229 371443539 /nfs/dbraw/zinc/44/35/39/371443539.db2.gz YZVASYJXAWVAGV-RYUDHWBXSA-N 0 3 251.326 1.367 20 10 CDCDHN COc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000290112068 378362195 /nfs/dbraw/zinc/36/21/95/378362195.db2.gz LFHWTAZXUNHJKD-AWEZNQCLSA-N 0 3 297.420 1.918 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000093808767 390904413 /nfs/dbraw/zinc/90/44/13/390904413.db2.gz CCOCILMYCNEZHH-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000093808767 390904414 /nfs/dbraw/zinc/90/44/14/390904414.db2.gz CCOCILMYCNEZHH-LBPRGKRZSA-N 0 3 292.379 1.878 20 10 CDCDHN CNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1O ZINC000124536302 391219237 /nfs/dbraw/zinc/21/92/37/391219237.db2.gz JOZOWBQAYVYYMQ-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000271191269 391290997 /nfs/dbraw/zinc/29/09/97/391290997.db2.gz QGTODGPTWGAYFY-LBPRGKRZSA-N 0 3 293.386 1.979 20 10 CDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])C1 ZINC000193494597 391340205 /nfs/dbraw/zinc/34/02/05/391340205.db2.gz UJAYPEGYFODEDM-CMPLNLGQSA-N 0 3 279.336 1.832 20 10 CDCDHN COC(CN(CCCO)Cc1ccc(N(C)C)cc1)OC ZINC000193543083 391341523 /nfs/dbraw/zinc/34/15/23/391341523.db2.gz KUZAXFICNHHRHJ-UHFFFAOYSA-N 0 3 296.411 1.556 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000155024924 261097251 /nfs/dbraw/zinc/09/72/51/261097251.db2.gz FWKVNFGKZGITTR-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000155024924 261097252 /nfs/dbraw/zinc/09/72/52/261097252.db2.gz FWKVNFGKZGITTR-LBPRGKRZSA-N 0 3 278.352 1.488 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185392065 262052819 /nfs/dbraw/zinc/05/28/19/262052819.db2.gz IMOJVSFLALTSAO-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000377275796 268063139 /nfs/dbraw/zinc/06/31/39/268063139.db2.gz BISDVRDVXYTPQX-LBPRGKRZSA-N 0 3 262.288 1.570 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000377275796 268063140 /nfs/dbraw/zinc/06/31/40/268063140.db2.gz BISDVRDVXYTPQX-LBPRGKRZSA-N 0 3 262.288 1.570 20 10 CDCDHN C[C@H](CO)CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000230161355 333315511 /nfs/dbraw/zinc/31/55/11/333315511.db2.gz QQJUMHBTAMFWAC-JTQLQIEISA-N 0 3 267.325 1.619 20 10 CDCDHN O=C(CC[NH2+]Cc1ccccc1[O-])N1CCCCC1 ZINC000134492335 334092185 /nfs/dbraw/zinc/09/21/85/334092185.db2.gz IAAYPIGDBVSPRH-UHFFFAOYSA-N 0 3 262.353 1.884 20 10 CDCDHN CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000274962692 519789321 /nfs/dbraw/zinc/78/93/21/519789321.db2.gz UGOBLHYRKMKWMA-NHYWBVRUSA-N 0 3 294.395 1.731 20 10 CDCDHN CCCN(CC(=O)NC1CC1)Cc1ccccc1O ZINC000069009932 521549102 /nfs/dbraw/zinc/54/91/02/521549102.db2.gz KCSREKXDZSKQCP-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000277383703 522040880 /nfs/dbraw/zinc/04/08/80/522040880.db2.gz WPNVTNGNAVMCIE-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H]1CCCO1 ZINC000279377750 522361008 /nfs/dbraw/zinc/36/10/08/522361008.db2.gz IOVXOPOKPMTJDT-HIFRSBDPSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@@H](NCc1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000279377750 522361014 /nfs/dbraw/zinc/36/10/14/522361014.db2.gz IOVXOPOKPMTJDT-HIFRSBDPSA-N 0 3 281.352 1.684 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000061375287 523607570 /nfs/dbraw/zinc/60/75/70/523607570.db2.gz GLLJJOHUPKNUFQ-LBPRGKRZSA-N 0 3 282.384 1.630 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280427673 524768701 /nfs/dbraw/zinc/76/87/01/524768701.db2.gz BORYMTDDPCPHBA-AVGNSLFASA-N 0 3 295.379 1.696 20 10 CDCDHN C[C@H](Cn1cccn1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880082 524779399 /nfs/dbraw/zinc/77/93/99/524779399.db2.gz DXPYSSNJECRAGV-SNVBAGLBSA-N 0 3 275.308 1.496 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCOCC1)c1cc(F)ccc1[O-] ZINC000094616923 525338505 /nfs/dbraw/zinc/33/85/05/525338505.db2.gz UUPSRNSLSFPCHA-LBPRGKRZSA-N 0 3 282.359 1.904 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289803346 525345731 /nfs/dbraw/zinc/34/57/31/525345731.db2.gz SMZBJAYMUGCREN-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289803346 525345737 /nfs/dbraw/zinc/34/57/37/525345737.db2.gz SMZBJAYMUGCREN-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000071407215 525353609 /nfs/dbraw/zinc/35/36/09/525353609.db2.gz HSQLOCLDFUTINM-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000280875747 525921851 /nfs/dbraw/zinc/92/18/51/525921851.db2.gz NZQJQXFOUNTIOY-IHRRRGAJSA-N 0 3 279.380 1.996 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1O ZINC000770380821 575475635 /nfs/dbraw/zinc/47/56/35/575475635.db2.gz NPVFPINRFOTTPU-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1O ZINC000770380821 575475637 /nfs/dbraw/zinc/47/56/37/575475637.db2.gz NPVFPINRFOTTPU-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(CN2CC[NH2+][C@H](C)C2)c([O-])c1 ZINC000768140450 576260125 /nfs/dbraw/zinc/26/01/25/576260125.db2.gz PTAFOOOWLNWCAE-LLVKDONJSA-N 0 3 250.342 1.585 20 10 CDCDHN CCOc1ccc(O)c(CN(C)C2CC(O)C2)c1 ZINC000761222159 576561163 /nfs/dbraw/zinc/56/11/63/576561163.db2.gz IMAUSYIXCKSNEP-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CC(O)C2)c1 ZINC000761222159 576561164 /nfs/dbraw/zinc/56/11/64/576561164.db2.gz IMAUSYIXCKSNEP-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000761222159 576561165 /nfs/dbraw/zinc/56/11/65/576561165.db2.gz IMAUSYIXCKSNEP-UHFFFAOYSA-N 0 3 251.326 1.746 20 10 CDCDHN CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1 ZINC000741754086 576571067 /nfs/dbraw/zinc/57/10/67/576571067.db2.gz IHLOAIAQAVVNFN-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN CCN(C)c1ccc(CN(C)CCN2CCOCC2)cc1 ZINC000741754597 576571354 /nfs/dbraw/zinc/57/13/54/576571354.db2.gz SPBQHWUPRUKSQG-UHFFFAOYSA-N 0 3 291.439 1.907 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(F)ccc1[O-] ZINC000756641707 576998267 /nfs/dbraw/zinc/99/82/67/576998267.db2.gz YGWKQGXTJMFTKQ-SECBINFHSA-N 0 3 289.310 1.876 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000750816965 577007824 /nfs/dbraw/zinc/00/78/24/577007824.db2.gz FVKSLYGDLMPPFW-RYUDHWBXSA-N 0 3 278.327 1.385 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)CCC[NH3+])c1[O-] ZINC000843351395 617325462 /nfs/dbraw/zinc/32/54/62/617325462.db2.gz QTCHIZJZYGAERJ-UHFFFAOYSA-N 0 3 254.305 1.515 20 10 CDCDHN CCN1CCN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000891991782 617963829 /nfs/dbraw/zinc/96/38/29/617963829.db2.gz HTTBXHGDQMDLIU-LBPRGKRZSA-N 0 3 294.395 1.935 20 10 CDCDHN COc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)c(O)c1OC ZINC000893888652 618158762 /nfs/dbraw/zinc/15/87/62/618158762.db2.gz LSKDXEBGZAGBDU-XHDPSFHLSA-N 0 3 279.336 1.224 20 10 CDCDHN COc1cc(C)cc(CN(C)CCNC(=O)C(C)C)c1O ZINC000894095723 618385732 /nfs/dbraw/zinc/38/57/32/618385732.db2.gz RLKFLRWGUWTLQJ-UHFFFAOYSA-N 0 3 294.395 1.913 20 10 CDCDHN CCNC(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000035134235 621312067 /nfs/dbraw/zinc/31/20/67/621312067.db2.gz WBMGHLBKJCBSJS-UHFFFAOYSA-N 0 3 275.396 1.903 20 10 CDCDHN C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(C(=O)[O-])ccc1[O-] ZINC001604342455 1163158933 /nfs/dbraw/zinc/15/89/33/1163158933.db2.gz WJAFWYFJRFFVHC-DTWKUNHWSA-N 0 3 252.314 1.478 20 10 CDCDHN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000783533503 758848535 /nfs/dbraw/zinc/84/85/35/758848535.db2.gz RHQFQKPEQHBUAS-SMDDNHRTSA-N 0 3 265.353 1.830 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(F)ccc1[O-] ZINC000702652933 758867549 /nfs/dbraw/zinc/86/75/49/758867549.db2.gz NRBAWTWARJNHQE-QMTHXVAHSA-N 0 3 268.332 1.249 20 10 CDCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000824709324 768863301 /nfs/dbraw/zinc/86/33/01/768863301.db2.gz PADLGEAHQPRRQI-OCCSQVGLSA-N 0 3 251.326 1.533 20 10 CDCDHN CCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049480524 769255505 /nfs/dbraw/zinc/25/55/05/769255505.db2.gz VOLAUPJTYFWZCF-UHFFFAOYSA-N 0 3 263.385 1.711 20 10 CDCDHN Cc1cc(O)c(CN2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000853550838 769300177 /nfs/dbraw/zinc/30/01/77/769300177.db2.gz MPWAVSPGDFRBLD-MRXNPFEDSA-N 0 3 290.407 1.916 20 10 CDCDHN O=c1[nH]cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000858304364 769359507 /nfs/dbraw/zinc/35/95/07/769359507.db2.gz OTVZMQMDLKPZGY-UHFFFAOYSA-N 0 3 299.374 1.914 20 10 CDCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])S(C)(=O)=O ZINC000093523155 769775263 /nfs/dbraw/zinc/77/52/63/769775263.db2.gz FWNMEASPJJRCLB-UHFFFAOYSA-N 0 3 257.355 1.305 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000788971988 769994651 /nfs/dbraw/zinc/99/46/51/769994651.db2.gz STJDNAGWNGKDCW-WDEREUQCSA-N 0 3 251.326 1.651 20 10 CDCDHN CCc1cccc(CN2CCC3(C2)OCCO3)c1O ZINC000848884706 770051684 /nfs/dbraw/zinc/05/16/84/770051684.db2.gz FHCOKCHVOYGWDL-UHFFFAOYSA-N 0 3 263.337 1.903 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@H]2CCN2C)cc1F ZINC000922574882 770397064 /nfs/dbraw/zinc/39/70/64/770397064.db2.gz RDYRMYRWMIOMKH-LLVKDONJSA-N 0 3 269.339 1.825 20 10 CDCDHN COc1cccc(CNC(=O)C2(N(C)C)CCC2)c1O ZINC000155681100 770821455 /nfs/dbraw/zinc/82/14/55/770821455.db2.gz JCVLYBVWUUVZKR-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN COCCOCCN1CCN(Cc2ccccc2O)CC1 ZINC000846116075 771034936 /nfs/dbraw/zinc/03/49/36/771034936.db2.gz DUEJKRDQROAZAS-UHFFFAOYSA-N 0 3 294.395 1.173 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([O-])cs1 ZINC000822156403 771154564 /nfs/dbraw/zinc/15/45/64/771154564.db2.gz QIZLPUUDGSRJSN-MNOVXSKESA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([O-])cs1 ZINC000822156403 771154575 /nfs/dbraw/zinc/15/45/75/771154575.db2.gz QIZLPUUDGSRJSN-MNOVXSKESA-N 0 3 266.366 1.810 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)[C@H](C)O ZINC000930351310 771314040 /nfs/dbraw/zinc/31/40/40/771314040.db2.gz OKICJDULLNWDKS-SWLSCSKDSA-N 0 3 267.369 1.736 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)[C@H](C)O ZINC000930351310 771314044 /nfs/dbraw/zinc/31/40/44/771314044.db2.gz OKICJDULLNWDKS-SWLSCSKDSA-N 0 3 267.369 1.736 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977341 771722165 /nfs/dbraw/zinc/72/21/65/771722165.db2.gz HXZXKQCLGWIMQP-XFOOOJQKSA-N 0 3 276.336 1.047 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816666300 772066695 /nfs/dbraw/zinc/06/66/95/772066695.db2.gz JOUHYNFRHLETKZ-HZPDHXFCSA-N 0 3 295.354 1.941 20 10 CDCDHN C[C@@H](CNCc1ccc(N2CC=CC2)cc1)S(C)(=O)=O ZINC000819096814 772373226 /nfs/dbraw/zinc/37/32/26/772373226.db2.gz VDENWXLXHMZSOZ-ZDUSSCGKSA-N 0 3 294.420 1.586 20 10 CDCDHN CCOc1cccc(CN2CCC(O)(CO)CC2)c1O ZINC000827146567 772395918 /nfs/dbraw/zinc/39/59/18/772395918.db2.gz GKHBDVLXGRHFRV-UHFFFAOYSA-N 0 3 281.352 1.110 20 10 CDCDHN CC1(C)CC[N@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000890071816 772491630 /nfs/dbraw/zinc/49/16/30/772491630.db2.gz CKSOHDYCRDLCCL-UHFFFAOYSA-N 0 3 278.352 1.560 20 10 CDCDHN CC1(C)CC[N@@H+](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000890071816 772491631 /nfs/dbraw/zinc/49/16/31/772491631.db2.gz CKSOHDYCRDLCCL-UHFFFAOYSA-N 0 3 278.352 1.560 20 10 CDCDHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000130403776 772645912 /nfs/dbraw/zinc/64/59/12/772645912.db2.gz MWTDHBNNUDCNOC-SWLSCSKDSA-N 0 3 291.395 1.438 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](OC)C1CC1 ZINC000815152928 772749327 /nfs/dbraw/zinc/74/93/27/772749327.db2.gz AOPGICJLAHFFBM-CQSZACIVSA-N 0 3 251.326 1.915 20 10 CDCDHN CCOCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182414195 772921269 /nfs/dbraw/zinc/92/12/69/772921269.db2.gz CSWNYLQKEGSMEU-NSHDSACASA-N 0 3 296.367 1.204 20 10 CDCDHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(O)c1[O-] ZINC000855899635 772949844 /nfs/dbraw/zinc/94/98/44/772949844.db2.gz QRAJYYINULEFKQ-LBPRGKRZSA-N 0 3 292.379 1.948 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000857084552 773074658 /nfs/dbraw/zinc/07/46/58/773074658.db2.gz VGIWAOUIJJWYHM-CHWSQXEVSA-N 0 3 260.337 1.590 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000800291486 773093427 /nfs/dbraw/zinc/09/34/27/773093427.db2.gz AUYKJNOGAHBITF-SNVBAGLBSA-N 0 3 284.331 1.355 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000817966015 773151349 /nfs/dbraw/zinc/15/13/49/773151349.db2.gz ZEIGGCUPTBHOTR-TVQRCGJNSA-N 0 3 278.352 1.567 20 10 CDCDHN CCN(CC)C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311732709 773157583 /nfs/dbraw/zinc/15/75/83/773157583.db2.gz RISUDMVUOYGPBJ-LBPRGKRZSA-N 0 3 262.353 1.838 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877003027 773287229 /nfs/dbraw/zinc/28/72/29/773287229.db2.gz JHOYMJVYQYSOCI-GFCCVEGCSA-N 0 3 272.352 1.705 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](N)C(C)C)c1 ZINC000817958404 773321630 /nfs/dbraw/zinc/32/16/30/773321630.db2.gz JMQJQNYXACZMDN-GWCFXTLKSA-N 0 3 280.368 1.813 20 10 CDCDHN COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649530 773337988 /nfs/dbraw/zinc/33/79/88/773337988.db2.gz VOWBOJSYVOWSCJ-YNEHKIRRSA-N 0 3 283.368 1.455 20 10 CDCDHN CN(CC[NH+]1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000126404908 1165998040 /nfs/dbraw/zinc/99/80/40/1165998040.db2.gz YOBHFFCDRUKBTO-UHFFFAOYSA-N 0 3 264.325 1.266 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](CCCO)C(C)C)c([O-])c1 ZINC001249201134 912583316 /nfs/dbraw/zinc/58/33/16/912583316.db2.gz GVJSGRTZYJYBLR-UHFFFAOYSA-N 0 3 295.379 1.701 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](CCCO)C(C)C)c([O-])c1 ZINC001249201134 912583326 /nfs/dbraw/zinc/58/33/26/912583326.db2.gz GVJSGRTZYJYBLR-UHFFFAOYSA-N 0 3 295.379 1.701 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Br ZINC001236024768 914567795 /nfs/dbraw/zinc/56/77/95/914567795.db2.gz JFMJWFROVAYYOH-GWCFXTLKSA-N 0 3 297.196 1.996 20 10 CDCDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988516 921307330 /nfs/dbraw/zinc/30/73/30/921307330.db2.gz SVFNKKDRQZVFPI-CYBMUJFWSA-N 0 3 290.363 1.446 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272767098 919205865 /nfs/dbraw/zinc/20/58/65/919205865.db2.gz WUWKOENKZUYUDE-MRXNPFEDSA-N 0 3 274.364 1.755 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272767098 919205876 /nfs/dbraw/zinc/20/58/76/919205876.db2.gz WUWKOENKZUYUDE-MRXNPFEDSA-N 0 3 274.364 1.755 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031259 936795308 /nfs/dbraw/zinc/79/53/08/936795308.db2.gz AJXAZXQIZBNYER-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031259 936795310 /nfs/dbraw/zinc/79/53/10/936795310.db2.gz AJXAZXQIZBNYER-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN O=C1CCCN1C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161838 936823080 /nfs/dbraw/zinc/82/30/80/936823080.db2.gz ZWKFLWLSPXKIDS-UHFFFAOYSA-N 0 3 290.363 1.685 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001168977241 927563048 /nfs/dbraw/zinc/56/30/48/927563048.db2.gz JAAHAUDVASJGQL-MWLCHTKSSA-N 0 3 266.297 1.633 20 10 CDCDHN CC[NH+]1CCC(NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001169230323 927832778 /nfs/dbraw/zinc/83/27/78/927832778.db2.gz YBTXOJSAPZRXFF-UHFFFAOYSA-N 0 3 278.352 1.354 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275267125 931718296 /nfs/dbraw/zinc/71/82/96/931718296.db2.gz KHIUVLUFJXKHSD-IYBDPMFKSA-N 0 3 298.390 1.964 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275267125 931718300 /nfs/dbraw/zinc/71/83/00/931718300.db2.gz KHIUVLUFJXKHSD-IYBDPMFKSA-N 0 3 298.390 1.964 20 10 CDCDHN Cc1nc(NCc2ccc(O)c(O)c2)cc(N(C)C)n1 ZINC001158994521 938685840 /nfs/dbraw/zinc/68/58/40/938685840.db2.gz NIIIIKLILZLVBA-UHFFFAOYSA-N 0 3 274.324 1.874 20 10 CDCDHN COc1cccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001203596564 939695273 /nfs/dbraw/zinc/69/52/73/939695273.db2.gz IYHBOVIBEUODAM-TXEJJXNPSA-N 0 3 261.321 1.812 20 10 CDCDHN N[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H]1F ZINC001204837172 939797017 /nfs/dbraw/zinc/79/70/17/939797017.db2.gz UPGTYZWMCRCGEM-BDAKNGLRSA-N 0 3 294.248 1.772 20 10 CDCDHN Cc1ccc(C)n1-c1ccc(CN(C)C[C@@H](O)CO)cc1 ZINC001209516830 940599564 /nfs/dbraw/zinc/59/95/64/940599564.db2.gz PYOFRNCSUBFMFQ-QGZVFWFLSA-N 0 3 288.391 1.879 20 10 CDCDHN CCN1CCN(c2ccc(OC3CC(O)C3)cc2)CC1 ZINC001218261831 941050266 /nfs/dbraw/zinc/05/02/66/941050266.db2.gz QBHYYLZBBLZIPB-UHFFFAOYSA-N 0 3 276.380 1.731 20 10 CDCDHN [NH3+][C@@]12CC[C@@](NC(=O)c3cccc(O)c3[O-])(C1)CCC2 ZINC001220782042 941472280 /nfs/dbraw/zinc/47/22/80/941472280.db2.gz CNUDVGOSPVXHRL-LSDHHAIUSA-N 0 3 276.336 1.632 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913858 941692974 /nfs/dbraw/zinc/69/29/74/941692974.db2.gz LIJIVRXVCZEKSJ-IAQYHMDHSA-N 0 3 276.336 1.008 20 10 CDCDHN COc1cc(CN2CC[C@@H](N(C)C(C)=O)C2)c(O)cc1O ZINC001231639005 942953367 /nfs/dbraw/zinc/95/33/67/942953367.db2.gz JVZVFDCXNABZSI-GFCCVEGCSA-N 0 3 294.351 1.159 20 10 CDCDHN Oc1cc(O)c(CN2CCCC3(COC3)C2)cc1O ZINC001233483297 943592504 /nfs/dbraw/zinc/59/25/04/943592504.db2.gz UWZOQGAAEWWQIZ-UHFFFAOYSA-N 0 3 265.309 1.416 20 10 CDCDHN [O-]c1c(CN2CCNC[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989658 943997251 /nfs/dbraw/zinc/99/72/51/943997251.db2.gz QFENSBZSNYGQBB-SFHVURJKSA-N 0 3 297.402 1.683 20 10 CDCDHN CCc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c([O-])c1 ZINC001236782908 944566420 /nfs/dbraw/zinc/56/64/20/944566420.db2.gz GTKDZDZSSZPEER-UHFFFAOYSA-N 0 3 276.380 1.913 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236786192 944569237 /nfs/dbraw/zinc/56/92/37/944569237.db2.gz MWWRLSVLIQWFFA-INIZCTEOSA-N 0 3 274.364 1.667 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236786192 944569245 /nfs/dbraw/zinc/56/92/45/944569245.db2.gz MWWRLSVLIQWFFA-INIZCTEOSA-N 0 3 274.364 1.667 20 10 CDCDHN CCOC(=O)N1CC[C@@H](N2CCc3cccc(O)c3C2)C1 ZINC001256038891 948174694 /nfs/dbraw/zinc/17/46/94/948174694.db2.gz XKZGUTUVBOEGMU-CYBMUJFWSA-N 0 3 290.363 1.981 20 10 CDCDHN COC(=O)[C@H](O)CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001252419960 951246715 /nfs/dbraw/zinc/24/67/15/951246715.db2.gz FTTRMHLKMIUSSQ-OAHLLOKOSA-N 0 3 292.379 1.253 20 10 CDCDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1 ZINC000178866785 342532737 /nfs/dbraw/zinc/53/27/37/342532737.db2.gz FWRLNXAGBWFDNW-SMDDNHRTSA-N 0 3 273.380 1.553 20 10 CDCDHN OC[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000184195392 343172633 /nfs/dbraw/zinc/17/26/33/343172633.db2.gz QASZKMPIWIEIEZ-KRWDZBQOSA-N 0 3 290.407 1.918 20 10 CDCDHN COc1cccc(C[NH2+]CC[C@@H](C)CCO)c1[O-] ZINC000295112553 199350537 /nfs/dbraw/zinc/35/05/37/199350537.db2.gz LWWFDCSEXPUOLU-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@@H](N)C(C)(C)C ZINC000040468625 357000414 /nfs/dbraw/zinc/00/04/14/357000414.db2.gz QWCROJIBTYJQGI-GFCCVEGCSA-N 0 3 250.342 1.724 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180681589 357283027 /nfs/dbraw/zinc/28/30/27/357283027.db2.gz GGIJNZSLPLNXPL-SNVBAGLBSA-N 0 3 296.367 1.223 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180681589 357283032 /nfs/dbraw/zinc/28/30/32/357283032.db2.gz GGIJNZSLPLNXPL-SNVBAGLBSA-N 0 3 296.367 1.223 20 10 CDCDHN CNC(=O)CC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000180378860 357267307 /nfs/dbraw/zinc/26/73/07/357267307.db2.gz MRAPFGZRRKPKIQ-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN CNC(=O)CC1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180378860 357267310 /nfs/dbraw/zinc/26/73/10/357267310.db2.gz MRAPFGZRRKPKIQ-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293991493 198860001 /nfs/dbraw/zinc/86/00/01/198860001.db2.gz SCMASXMWGCPQMR-OLZOCXBDSA-N 0 3 267.325 1.030 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)N(C)CC)c1 ZINC000188894657 357950124 /nfs/dbraw/zinc/95/01/24/357950124.db2.gz WKHVKLBDTZVTRN-LLVKDONJSA-N 0 3 280.368 1.747 20 10 CDCDHN CC[C@@H](CO)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000294671033 199128043 /nfs/dbraw/zinc/12/80/43/199128043.db2.gz ANGPMQWFLMFKGK-NSHDSACASA-N 0 3 269.341 1.612 20 10 CDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000294671033 199128045 /nfs/dbraw/zinc/12/80/45/199128045.db2.gz ANGPMQWFLMFKGK-NSHDSACASA-N 0 3 269.341 1.612 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000294911964 199243324 /nfs/dbraw/zinc/24/33/24/199243324.db2.gz WOAFGCRPZUIHNT-IUODEOHRSA-N 0 3 265.353 1.811 20 10 CDCDHN COc1cccc(C[NH2+]CC2CCOCC2)c1[O-] ZINC000104091693 358945824 /nfs/dbraw/zinc/94/58/24/358945824.db2.gz HCYJXWCVRFYSHT-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C ZINC000272395168 365218877 /nfs/dbraw/zinc/21/88/77/365218877.db2.gz HIOHSSKCTQPNNP-BREXMAIKSA-N 0 3 264.325 1.177 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000288570464 369468327 /nfs/dbraw/zinc/46/83/27/369468327.db2.gz MYDKWFCEEPWVCU-XJKSGUPXSA-N 0 3 271.316 1.976 20 10 CDCDHN Cn1cc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000295778446 371396371 /nfs/dbraw/zinc/39/63/71/371396371.db2.gz ATZBNMDZHVBMSW-CYBMUJFWSA-N 0 3 257.337 1.945 20 10 CDCDHN COc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000290112076 378361545 /nfs/dbraw/zinc/36/15/45/378361545.db2.gz LFHWTAZXUNHJKD-CQSZACIVSA-N 0 3 297.420 1.918 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293798710 378611405 /nfs/dbraw/zinc/61/14/05/378611405.db2.gz UWDLNSQQMQNXFJ-UPJWGTAASA-N 0 3 265.353 1.891 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)CC2 ZINC000297193902 378765129 /nfs/dbraw/zinc/76/51/29/378765129.db2.gz FOZHBGDDIRMHIB-HUUCEWRRSA-N 0 3 290.407 1.816 20 10 CDCDHN COc1ccc(N2CCCN(CCO)CC2)cc1 ZINC000363603955 390945516 /nfs/dbraw/zinc/94/55/16/390945516.db2.gz NVZAGMXIKPKYPN-UHFFFAOYSA-N 0 3 250.342 1.200 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000224570189 390896983 /nfs/dbraw/zinc/89/69/83/390896983.db2.gz BBMTYHLWHWMDFD-GFCCVEGCSA-N 0 3 250.342 1.585 20 10 CDCDHN COc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000122713177 390905896 /nfs/dbraw/zinc/90/58/96/390905896.db2.gz KJJXGYCBZUXVBC-GFCCVEGCSA-N 0 3 278.352 1.453 20 10 CDCDHN COC[C@@H](CCO)NCc1ccc(OC)c(C)c1 ZINC000219140466 391049224 /nfs/dbraw/zinc/04/92/24/391049224.db2.gz NCGJPLSGEUFZMG-CYBMUJFWSA-N 0 3 253.342 1.491 20 10 CDCDHN COCCCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000181521099 391224538 /nfs/dbraw/zinc/22/45/38/391224538.db2.gz UHAZIZYNYDBOLJ-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN COCCCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000181521099 391224539 /nfs/dbraw/zinc/22/45/39/391224539.db2.gz UHAZIZYNYDBOLJ-UHFFFAOYSA-N 0 3 253.342 1.877 20 10 CDCDHN COC(=O)N1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183622501 391267924 /nfs/dbraw/zinc/26/79/24/391267924.db2.gz SWGHMFJQEBXAKQ-VIFPVBQESA-N 0 3 250.298 1.493 20 10 CDCDHN COc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193682042 391344133 /nfs/dbraw/zinc/34/41/33/391344133.db2.gz REFZCPCITHNIOL-CABZTGNLSA-N 0 3 264.325 1.015 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000094616878 287025163 /nfs/dbraw/zinc/02/51/63/287025163.db2.gz ZWXFFHQMMXFQGW-CYBMUJFWSA-N 0 3 295.402 1.819 20 10 CDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183595398 261981737 /nfs/dbraw/zinc/98/17/37/261981737.db2.gz URPCCFWADDRYIY-LLVKDONJSA-N 0 3 286.397 1.371 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCc3c[nH]nc3C1)OCO2 ZINC000363938817 262043751 /nfs/dbraw/zinc/04/37/51/262043751.db2.gz QBINAXSRSAEBIO-LLVKDONJSA-N 0 3 287.319 1.491 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276826884 263038277 /nfs/dbraw/zinc/03/82/77/263038277.db2.gz QCGRISUASALMBT-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276826884 263038278 /nfs/dbraw/zinc/03/82/78/263038278.db2.gz QCGRISUASALMBT-AWEZNQCLSA-N 0 3 274.364 1.897 20 10 CDCDHN CN(C)c1ccc(CNC[C@@]2(O)CCSC2)cc1F ZINC000266996902 276883421 /nfs/dbraw/zinc/88/34/21/276883421.db2.gz BUVSZEBZNLZIID-AWEZNQCLSA-N 0 3 284.400 1.849 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCSC1)OCO2 ZINC000230704288 329372061 /nfs/dbraw/zinc/37/20/61/329372061.db2.gz YYDHWNXOPXZJRX-VIFPVBQESA-N 0 3 253.323 1.716 20 10 CDCDHN COC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934710 333322705 /nfs/dbraw/zinc/32/27/05/333322705.db2.gz CSPQUDABBSVZDC-LLVKDONJSA-N 0 3 289.759 1.541 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134136372 334081569 /nfs/dbraw/zinc/08/15/69/334081569.db2.gz JODAXZIZEXOPBO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134136372 334081571 /nfs/dbraw/zinc/08/15/71/334081571.db2.gz JODAXZIZEXOPBO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134136372 334081573 /nfs/dbraw/zinc/08/15/73/334081573.db2.gz JODAXZIZEXOPBO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN CC(C)C(=O)NCCNCc1ccc(N(C)C)cc1 ZINC000020125103 519501543 /nfs/dbraw/zinc/50/15/43/519501543.db2.gz CDQNXSDWXKKNOK-UHFFFAOYSA-N 0 3 263.385 1.614 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])[C@H]1OC ZINC000274847453 520429504 /nfs/dbraw/zinc/42/95/04/520429504.db2.gz AIXZQKBFTZGVBO-GZBFAFLISA-N 0 3 265.353 1.983 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@H](O)CO)cc1F ZINC000276710098 520904543 /nfs/dbraw/zinc/90/45/43/520904543.db2.gz GNEXFJARHPQEKJ-LBPRGKRZSA-N 0 3 270.348 1.115 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)NC)cc1 ZINC000048416649 520908204 /nfs/dbraw/zinc/90/82/04/520908204.db2.gz ULTCMAKQILVITR-LBPRGKRZSA-N 0 3 263.385 1.757 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@@H](C)O)cc1OC ZINC000130792485 522768981 /nfs/dbraw/zinc/76/89/81/522768981.db2.gz DONBZXGMKJNOEB-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H](C)O)cc1OC ZINC000130792485 522768996 /nfs/dbraw/zinc/76/89/96/522768996.db2.gz DONBZXGMKJNOEB-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@@H](C)O)cc1OC ZINC000130792485 522769006 /nfs/dbraw/zinc/76/90/06/522769006.db2.gz DONBZXGMKJNOEB-SECBINFHSA-N 0 3 255.314 1.222 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCN2CC=CCC2)cc1OC ZINC000279943203 522776830 /nfs/dbraw/zinc/77/68/30/522776830.db2.gz YZNLRHJQANZKQN-UHFFFAOYSA-N 0 3 292.379 1.761 20 10 CDCDHN COCCN(CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000293271918 523706694 /nfs/dbraw/zinc/70/66/94/523706694.db2.gz XZUGPIPNRGXQMR-UHFFFAOYSA-N 0 3 266.385 1.502 20 10 CDCDHN Cc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000278430465 524430027 /nfs/dbraw/zinc/43/00/27/524430027.db2.gz TUNHZAXMVHFXHA-UHFFFAOYSA-N 0 3 276.380 1.655 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289607649 525361849 /nfs/dbraw/zinc/36/18/49/525361849.db2.gz CYNLAFFSJAKSNR-LBPRGKRZSA-N 0 3 290.367 1.525 20 10 CDCDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875388 525384475 /nfs/dbraw/zinc/38/44/75/525384475.db2.gz ISQXFGSMGPHLMU-BLLLJJGKSA-N 0 3 288.395 1.870 20 10 CDCDHN COc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1[O-] ZINC000263695546 526011669 /nfs/dbraw/zinc/01/16/69/526011669.db2.gz QCJPNNXJSHILOS-UHFFFAOYSA-N 0 3 292.379 1.938 20 10 CDCDHN C[C@@H]([NH2+]CCOCCN(C)C)c1cc(F)cc(F)c1[O-] ZINC000774383625 575944273 /nfs/dbraw/zinc/94/42/73/575944273.db2.gz ZDFMMZAALNBQAL-SNVBAGLBSA-N 0 3 288.338 1.899 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c([O-])cccc1OC ZINC000765794528 576056069 /nfs/dbraw/zinc/05/60/69/576056069.db2.gz DBYUWEQVNRPQIZ-CMPLNLGQSA-N 0 3 278.352 1.405 20 10 CDCDHN COCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768448730 576284623 /nfs/dbraw/zinc/28/46/23/576284623.db2.gz WEJSXXNZIBHDOW-OAHLLOKOSA-N 0 3 293.363 1.676 20 10 CDCDHN CC1(O)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768463440 576286979 /nfs/dbraw/zinc/28/69/79/576286979.db2.gz IYQJQRGLHQJQGP-CYBMUJFWSA-N 0 3 279.336 1.165 20 10 CDCDHN COCCOC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000742377555 576599063 /nfs/dbraw/zinc/59/90/63/576599063.db2.gz VSHKTLUKJJWVCZ-GFCCVEGCSA-N 0 3 253.342 1.842 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(C)c1[O-] ZINC000757926339 577061044 /nfs/dbraw/zinc/06/10/44/577061044.db2.gz LIFXZIZWYBHJFV-OAHLLOKOSA-N 0 3 281.352 1.758 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1cc(OC)ccc1O ZINC000757926791 577061364 /nfs/dbraw/zinc/06/13/64/577061364.db2.gz OOYFNTSQGKWYTR-OAHLLOKOSA-N 0 3 297.351 1.459 20 10 CDCDHN CN(C)c1ccc(CNCCN2CCC2)cc1F ZINC000752105100 577089363 /nfs/dbraw/zinc/08/93/63/577089363.db2.gz WQBYDCBICWARSP-UHFFFAOYSA-N 0 3 251.349 1.687 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000759173997 577157284 /nfs/dbraw/zinc/15/72/84/577157284.db2.gz SVOXJLYXRBBGSX-DZGCQCFKSA-N 0 3 265.353 1.984 20 10 CDCDHN CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891944965 617812656 /nfs/dbraw/zinc/81/26/56/617812656.db2.gz RNNJQPJUTXYALL-ZDUSSCGKSA-N 0 3 264.373 1.284 20 10 CDCDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1c([O-])cccc1OC ZINC000922590357 618276959 /nfs/dbraw/zinc/27/69/59/618276959.db2.gz RLPNTBFIELTGJB-ZDUSSCGKSA-N 0 3 294.395 1.601 20 10 CDCDHN COc1ccc(C[NH2+]C2CCN(C=O)CC2)c([O-])c1 ZINC000894186508 618675763 /nfs/dbraw/zinc/67/57/63/618675763.db2.gz XSGNEUHBQZHVIZ-UHFFFAOYSA-N 0 3 264.325 1.111 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000877693909 618701641 /nfs/dbraw/zinc/70/16/41/618701641.db2.gz UEMUAJXNAAFXAF-QUBYGPBYSA-N 0 3 267.222 1.933 20 10 CDCDHN CC(C)(C(=O)NCc1ccc(O)c(O)c1)N1CCCCC1 ZINC000907059675 627514398 /nfs/dbraw/zinc/51/43/98/627514398.db2.gz KPBFQAVCMTUHAG-UHFFFAOYSA-N 0 3 292.379 1.979 20 10 CDCDHN CN(CC(=O)NCc1ccc(O)cc1O)C1CCC1 ZINC000910945840 629126522 /nfs/dbraw/zinc/12/65/22/629126522.db2.gz ZXEQSZZFHMKGBL-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN CCCN(CCN(C)C)C(=O)Cc1ccc(N)cc1 ZINC000045661965 630587791 /nfs/dbraw/zinc/58/77/91/630587791.db2.gz DLTNNMDDVVFSEC-UHFFFAOYSA-N 0 3 263.385 1.612 20 10 CDCDHN CCN1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000915789757 631817268 /nfs/dbraw/zinc/81/72/68/631817268.db2.gz KLJFQLSQHNEXNF-UHFFFAOYSA-N 0 3 264.369 1.847 20 10 CDCDHN CC(C)CNC(=O)CNCc1ccc(N(C)C)cc1 ZINC000071122532 1171701942 /nfs/dbraw/zinc/70/19/42/1171701942.db2.gz KJJMWBAWEVLBOE-UHFFFAOYSA-N 0 3 263.385 1.614 20 10 CDCDHN NC(=O)[C@H](F)C1CCN(Cc2ccc(N)cc2)CC1 ZINC001580085178 1172347698 /nfs/dbraw/zinc/34/76/98/1172347698.db2.gz VDIXEFGNVREFDW-CYBMUJFWSA-N 0 3 265.332 1.304 20 10 CDCDHN CCOc1ccc(CN2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC000817412142 773956710 /nfs/dbraw/zinc/95/67/10/773956710.db2.gz DTOWEBICBNDVSZ-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000817412142 773956719 /nfs/dbraw/zinc/95/67/19/773956719.db2.gz DTOWEBICBNDVSZ-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000817412142 773956735 /nfs/dbraw/zinc/95/67/35/773956735.db2.gz DTOWEBICBNDVSZ-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000037169228 774070289 /nfs/dbraw/zinc/07/02/89/774070289.db2.gz GDROMLQMCLXMPO-CQSZACIVSA-N 0 3 287.363 1.748 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1CO ZINC000857061811 774095455 /nfs/dbraw/zinc/09/54/55/774095455.db2.gz VWWHBBRYWXVRRV-ZYHUDNBSSA-N 0 3 253.317 1.982 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1CO ZINC000857061811 774095461 /nfs/dbraw/zinc/09/54/61/774095461.db2.gz VWWHBBRYWXVRRV-ZYHUDNBSSA-N 0 3 253.317 1.982 20 10 CDCDHN COCCCOCCN(C)Cc1c(O)cccc1OC ZINC000779603978 774114394 /nfs/dbraw/zinc/11/43/94/774114394.db2.gz PFJJOXGVHNRRIC-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CCN(CC)c1ccc(CN2CCC(O)(CO)CC2)cc1 ZINC000827147580 774289619 /nfs/dbraw/zinc/28/96/19/774289619.db2.gz SYPFHIHHCRVVKI-UHFFFAOYSA-N 0 3 292.423 1.852 20 10 CDCDHN COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2[O-])c[nH]1 ZINC000793388488 774323032 /nfs/dbraw/zinc/32/30/32/774323032.db2.gz PAEWNSOQRJGMOJ-UHFFFAOYSA-N 0 3 290.319 1.805 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000877489022 774756228 /nfs/dbraw/zinc/75/62/28/774756228.db2.gz JPMCHYNYLPWVFS-SMDDNHRTSA-N 0 3 251.326 1.330 20 10 CDCDHN COc1cccc(O)c1CN(C)[C@@H](C)CN1CCOCC1 ZINC000789764194 774757023 /nfs/dbraw/zinc/75/70/23/774757023.db2.gz UKEWMDVUQFPGNZ-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789764194 774757026 /nfs/dbraw/zinc/75/70/26/774757026.db2.gz UKEWMDVUQFPGNZ-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789764194 774757031 /nfs/dbraw/zinc/75/70/31/774757031.db2.gz UKEWMDVUQFPGNZ-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN Nc1ccc(CCNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000841819789 774873619 /nfs/dbraw/zinc/87/36/19/774873619.db2.gz FUSGUYVMDFMRED-AWEZNQCLSA-N 0 3 288.395 1.347 20 10 CDCDHN COc1ccc(CN[C@@](C)(C(N)=O)C(C)C)cc1C ZINC000388935926 775564025 /nfs/dbraw/zinc/56/40/25/775564025.db2.gz UITIATPHJUGAPM-OAHLLOKOSA-N 0 3 264.369 1.993 20 10 CDCDHN Cc1cc(O)c(CN2CC(N3CC[C@@H](O)C3)C2)cc1C ZINC000846067452 775855500 /nfs/dbraw/zinc/85/55/00/775855500.db2.gz FBZNTGJJLPESPP-OAHLLOKOSA-N 0 3 276.380 1.260 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000877088738 776426261 /nfs/dbraw/zinc/42/62/61/776426261.db2.gz IBCUDVSDDFADQQ-NSHDSACASA-N 0 3 271.382 1.613 20 10 CDCDHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@H]2CCCCN12 ZINC000835075011 776984036 /nfs/dbraw/zinc/98/40/36/776984036.db2.gz UJGYWFALLPANIB-CHWSQXEVSA-N 0 3 278.327 1.774 20 10 CDCDHN O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826995289 777171578 /nfs/dbraw/zinc/17/15/78/777171578.db2.gz SQSICQAFPRJMDM-LBPRGKRZSA-N 0 3 262.309 1.419 20 10 CDCDHN O=C1OCCN1[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000826995289 777171582 /nfs/dbraw/zinc/17/15/82/777171582.db2.gz SQSICQAFPRJMDM-LBPRGKRZSA-N 0 3 262.309 1.419 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c([O-])c1 ZINC000877590003 777264448 /nfs/dbraw/zinc/26/44/48/777264448.db2.gz VOTVSQJREAWZMG-ZIAGYGMSSA-N 0 3 265.353 1.578 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[O-] ZINC000840976974 777295267 /nfs/dbraw/zinc/29/52/67/777295267.db2.gz ZYMROSLQCXQZKM-DGCLKSJQSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[O-] ZINC000840976974 777295277 /nfs/dbraw/zinc/29/52/77/777295277.db2.gz ZYMROSLQCXQZKM-DGCLKSJQSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000840976974 777295281 /nfs/dbraw/zinc/29/52/81/777295281.db2.gz ZYMROSLQCXQZKM-DGCLKSJQSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C)C[C@H]2CO)cc1C ZINC000877645062 777851709 /nfs/dbraw/zinc/85/17/09/777851709.db2.gz ZOCIKGNBHVCDOV-AWEZNQCLSA-N 0 3 264.369 1.117 20 10 CDCDHN CC(C)(N)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841031571 778068329 /nfs/dbraw/zinc/06/83/29/778068329.db2.gz WQGIZJIRYLFPMR-UHFFFAOYSA-N 0 3 273.174 1.982 20 10 CDCDHN COCC1([NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877548994 778111419 /nfs/dbraw/zinc/11/14/19/778111419.db2.gz FUNMAQJNMKOXEE-UHFFFAOYSA-N 0 3 265.353 1.986 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1[O-] ZINC000848562497 778261060 /nfs/dbraw/zinc/26/10/60/778261060.db2.gz DTDFSVJMBHREPS-MWLCHTKSSA-N 0 3 290.342 1.868 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](O)COCC2CC2)c([O-])c1 ZINC000877000561 778813018 /nfs/dbraw/zinc/81/30/18/778813018.db2.gz RLAPERGDXWCAIP-AWEZNQCLSA-N 0 3 265.353 1.578 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877475091 779283114 /nfs/dbraw/zinc/28/31/14/779283114.db2.gz LURCPIYTLQBMDL-CYBMUJFWSA-N 0 3 283.368 1.204 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000877693907 779893849 /nfs/dbraw/zinc/89/38/49/779893849.db2.gz UEMUAJXNAAFXAF-LDWIPMOCSA-N 0 3 267.222 1.933 20 10 CDCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000824709321 780004771 /nfs/dbraw/zinc/00/47/71/780004771.db2.gz PADLGEAHQPRRQI-GXTWGEPZSA-N 0 3 251.326 1.533 20 10 CDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C1CC1)cc2=O ZINC000052608048 897528074 /nfs/dbraw/zinc/52/80/74/897528074.db2.gz GEAXDGJJDCTREJ-UHFFFAOYSA-N 0 3 290.323 1.206 20 10 CDCDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001235998703 914527023 /nfs/dbraw/zinc/52/70/23/914527023.db2.gz YZAIIOKUHAJEML-ZWNOBZJWSA-N 0 3 252.745 1.969 20 10 CDCDHN CCOc1cccc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204818986 907439974 /nfs/dbraw/zinc/43/99/74/907439974.db2.gz ASBRBRLAOQDHTF-MNOVXSKESA-N 0 3 254.305 1.272 20 10 CDCDHN CCN(CC)CC(=O)NCc1c(C)cc(C)cc1O ZINC001180391556 916311999 /nfs/dbraw/zinc/31/19/99/916311999.db2.gz YXLDITIMJLDKDZ-UHFFFAOYSA-N 0 3 264.369 1.967 20 10 CDCDHN O=C1NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140055134 936674420 /nfs/dbraw/zinc/67/44/20/936674420.db2.gz KTGLWNKQZMLDNX-CABZTGNLSA-N 0 3 264.300 1.099 20 10 CDCDHN O=C1NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140055134 936674421 /nfs/dbraw/zinc/67/44/21/936674421.db2.gz KTGLWNKQZMLDNX-CABZTGNLSA-N 0 3 264.300 1.099 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)c(OC)c1 ZINC001141026562 936794121 /nfs/dbraw/zinc/79/41/21/936794121.db2.gz VAFIHKMIHVONIO-AWEZNQCLSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)c(OC)c1 ZINC001141026562 936794123 /nfs/dbraw/zinc/79/41/23/936794123.db2.gz VAFIHKMIHVONIO-AWEZNQCLSA-N 0 3 267.325 1.366 20 10 CDCDHN Oc1ccc(O)c(CN2CCN(CC3CC3)CC2)c1 ZINC001141159011 936822527 /nfs/dbraw/zinc/82/25/27/936822527.db2.gz VVDBZSBLJWSUEN-UHFFFAOYSA-N 0 3 262.353 1.625 20 10 CDCDHN O=C1CCC[C@@]2(CCCN(Cc3cc(O)ccc3O)C2)N1 ZINC001141159583 936821971 /nfs/dbraw/zinc/82/19/71/936821971.db2.gz HIUNQOMCMRNFTD-INIZCTEOSA-N 0 3 290.363 1.733 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CF)C1)[C@@H](O)CO2 ZINC001119331218 937710367 /nfs/dbraw/zinc/71/03/67/937710367.db2.gz MZLPWJHZRJHWOZ-ZANVPECISA-N 0 3 267.300 1.609 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CF)C1)[C@@H](O)CO2 ZINC001119331218 937710369 /nfs/dbraw/zinc/71/03/69/937710369.db2.gz MZLPWJHZRJHWOZ-ZANVPECISA-N 0 3 267.300 1.609 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203562925 939693302 /nfs/dbraw/zinc/69/33/02/939693302.db2.gz PLWNFWQAOONSHH-GXTWGEPZSA-N 0 3 274.364 1.835 20 10 CDCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203562925 939693304 /nfs/dbraw/zinc/69/33/04/939693304.db2.gz PLWNFWQAOONSHH-GXTWGEPZSA-N 0 3 274.364 1.835 20 10 CDCDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204272447 939749883 /nfs/dbraw/zinc/74/98/83/939749883.db2.gz ANEKDJBDUXTSIV-MRXNPFEDSA-N 0 3 290.363 1.685 20 10 CDCDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204272447 939749886 /nfs/dbraw/zinc/74/98/86/939749886.db2.gz ANEKDJBDUXTSIV-MRXNPFEDSA-N 0 3 290.363 1.685 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277841 939751232 /nfs/dbraw/zinc/75/12/32/939751232.db2.gz MBIKHXCLMJTRPF-NSHDSACASA-N 0 3 265.309 1.483 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277841 939751234 /nfs/dbraw/zinc/75/12/34/939751234.db2.gz MBIKHXCLMJTRPF-NSHDSACASA-N 0 3 265.309 1.483 20 10 CDCDHN COCCCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204279384 939751966 /nfs/dbraw/zinc/75/19/66/939751966.db2.gz XGGBGPDIJQAEIP-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278890 939752083 /nfs/dbraw/zinc/75/20/83/939752083.db2.gz MBIKHXCLMJTRPF-LLVKDONJSA-N 0 3 265.309 1.483 20 10 CDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278890 939752085 /nfs/dbraw/zinc/75/20/85/939752085.db2.gz MBIKHXCLMJTRPF-LLVKDONJSA-N 0 3 265.309 1.483 20 10 CDCDHN O=C1NCCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)O1 ZINC001204281534 939752334 /nfs/dbraw/zinc/75/23/34/939752334.db2.gz UULPNZVHZXWRND-UHFFFAOYSA-N 0 3 292.335 1.562 20 10 CDCDHN COc1cc(CN2CC(C)(N(C)C)C2)cc(O)c1O ZINC001204346025 939755680 /nfs/dbraw/zinc/75/56/80/939755680.db2.gz JRSUDVKNYHYZBG-UHFFFAOYSA-N 0 3 266.341 1.242 20 10 CDCDHN CCCN1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204344042 939758360 /nfs/dbraw/zinc/75/83/60/939758360.db2.gz CVFUPZKUBXHGAA-UHFFFAOYSA-N 0 3 280.368 1.634 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC[C@]1(C)O ZINC001233010376 943460455 /nfs/dbraw/zinc/46/04/55/943460455.db2.gz QEJVGKKRSPPEOP-BMIGLBTASA-N 0 3 281.352 1.786 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050454 944023987 /nfs/dbraw/zinc/02/39/87/944023987.db2.gz DIPAMIFZVAERRA-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN COc1ccc2ccc([O-])c(CN3C[C@@H]4C[NH2+]C[C@H]43)c2c1 ZINC001236292215 944451397 /nfs/dbraw/zinc/45/13/97/944451397.db2.gz MYNZHEAPIZGRGZ-BLLLJJGKSA-N 0 3 284.359 1.958 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001236810371 944576764 /nfs/dbraw/zinc/57/67/64/944576764.db2.gz DXQVWMAQQUJELO-FZMZJTMJSA-N 0 3 290.363 1.277 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001236810371 944576768 /nfs/dbraw/zinc/57/67/68/944576768.db2.gz DXQVWMAQQUJELO-FZMZJTMJSA-N 0 3 290.363 1.277 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001236817068 944577894 /nfs/dbraw/zinc/57/78/94/944577894.db2.gz CIOUGTKOHJYEHN-UHFFFAOYSA-N 0 3 251.326 1.666 20 10 CDCDHN COC(=O)C1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001257857274 948642545 /nfs/dbraw/zinc/64/25/45/948642545.db2.gz LBEWIOUCHVOQKB-UHFFFAOYSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001249173815 949443613 /nfs/dbraw/zinc/44/36/13/949443613.db2.gz XFAPKEHRKLQGBD-BXUZGUMPSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001249173815 949443634 /nfs/dbraw/zinc/44/36/34/949443634.db2.gz XFAPKEHRKLQGBD-BXUZGUMPSA-N 0 3 293.363 1.453 20 10 CDCDHN COc1cccc([C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])c1 ZINC001250730598 950331613 /nfs/dbraw/zinc/33/16/13/950331613.db2.gz LWVMRNGWAJSDSJ-INIZCTEOSA-N 0 3 289.331 1.930 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222553 994334763 /nfs/dbraw/zinc/33/47/63/994334763.db2.gz KYMDPROZUMLTJC-HOSYDEDBSA-N 0 3 278.352 1.868 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000036795002 356253680 /nfs/dbraw/zinc/25/36/80/356253680.db2.gz KFYBGPJZROMKDV-NXEZZACHSA-N 0 3 266.341 1.576 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000179912213 357230113 /nfs/dbraw/zinc/23/01/13/357230113.db2.gz NLINRRZRAGSIKR-UHFFFAOYSA-N 0 3 267.300 1.870 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180560027 357275235 /nfs/dbraw/zinc/27/52/35/357275235.db2.gz UPZPLJZNEKNXPL-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180560027 357275236 /nfs/dbraw/zinc/27/52/36/357275236.db2.gz UPZPLJZNEKNXPL-GFCCVEGCSA-N 0 3 262.353 1.788 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000188824656 357941444 /nfs/dbraw/zinc/94/14/44/357941444.db2.gz JUZMCZXYZUNKSR-ZDUSSCGKSA-N 0 3 269.316 1.769 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000188824656 357941446 /nfs/dbraw/zinc/94/14/46/357941446.db2.gz JUZMCZXYZUNKSR-ZDUSSCGKSA-N 0 3 269.316 1.769 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195008165 358405212 /nfs/dbraw/zinc/40/52/12/358405212.db2.gz RBTOWCASOPMXHD-QPUJVOFHSA-N 0 3 298.770 1.668 20 10 CDCDHN COc1cccc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000294897185 199236838 /nfs/dbraw/zinc/23/68/38/199236838.db2.gz WYTNGQOXSLGXJQ-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN COc1cccc(C[N@@H+](C)CC(C)(C)CO)c1[O-] ZINC000294897185 199236839 /nfs/dbraw/zinc/23/68/39/199236839.db2.gz WYTNGQOXSLGXJQ-UHFFFAOYSA-N 0 3 253.342 1.851 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000297346152 200156694 /nfs/dbraw/zinc/15/66/94/200156694.db2.gz OUQLXCZNWANRJB-ZIAGYGMSSA-N 0 3 278.396 1.890 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000227213645 359802684 /nfs/dbraw/zinc/80/26/84/359802684.db2.gz AGXYMKSSLYNPEC-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282462241 364112646 /nfs/dbraw/zinc/11/26/46/364112646.db2.gz VSDJFGIHMIRNIG-GIGQVBGESA-N 0 3 283.393 1.963 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271277870 364980108 /nfs/dbraw/zinc/98/01/08/364980108.db2.gz OUUSADQMXYOIEU-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271277870 364980111 /nfs/dbraw/zinc/98/01/11/364980111.db2.gz OUUSADQMXYOIEU-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccco2)c1 ZINC000271856026 365002549 /nfs/dbraw/zinc/00/25/49/365002549.db2.gz UUIDTXBRBSTMGG-OAHLLOKOSA-N 0 3 277.320 1.991 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000168868071 365008529 /nfs/dbraw/zinc/00/85/29/365008529.db2.gz CRCXFTRKWGOHBI-JJQCHNSYSA-N 0 3 271.382 1.818 20 10 CDCDHN COc1ccc(O)c(CN2CCOC[C@@H](C)C2)c1 ZINC000378441540 365097499 /nfs/dbraw/zinc/09/74/99/365097499.db2.gz HNTMHZMSROUPKV-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000378441540 365097507 /nfs/dbraw/zinc/09/75/07/365097507.db2.gz HNTMHZMSROUPKV-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000378441540 365097518 /nfs/dbraw/zinc/09/75/18/365097518.db2.gz HNTMHZMSROUPKV-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000171638407 365343399 /nfs/dbraw/zinc/34/33/99/365343399.db2.gz QPABCVPDKFQCDJ-HNNXBMFYSA-N 0 3 289.379 1.862 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000171638407 365343404 /nfs/dbraw/zinc/34/34/04/365343404.db2.gz QPABCVPDKFQCDJ-HNNXBMFYSA-N 0 3 289.379 1.862 20 10 CDCDHN CC1(C)CN(CCNCc2ccc3c(c2)CCO3)CCO1 ZINC000171766486 365381998 /nfs/dbraw/zinc/38/19/98/365381998.db2.gz HFYDKZIUAJUPOQ-UHFFFAOYSA-N 0 3 290.407 1.822 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000273467816 365499054 /nfs/dbraw/zinc/49/90/54/365499054.db2.gz JEQJOVQUUZZACC-MEBBXXQBSA-N 0 3 283.343 1.969 20 10 CDCDHN CCOc1cccc(CNCc2cnnn2C)c1O ZINC000288523259 370207477 /nfs/dbraw/zinc/20/74/77/370207477.db2.gz UXAMCZJNHSHDTE-UHFFFAOYSA-N 0 3 262.313 1.209 20 10 CDCDHN CC(=O)NCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000226563307 370566903 /nfs/dbraw/zinc/56/69/03/370566903.db2.gz IKHFEMGMIGWDCC-UHFFFAOYSA-N 0 3 280.343 1.879 20 10 CDCDHN Cc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n[nH]1 ZINC000273446644 371165754 /nfs/dbraw/zinc/16/57/54/371165754.db2.gz NXAACHFUOQDSJJ-QMMMGPOBSA-N 0 3 264.304 1.851 20 10 CDCDHN Cc1nnc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273446644 371165758 /nfs/dbraw/zinc/16/57/58/371165758.db2.gz NXAACHFUOQDSJJ-QMMMGPOBSA-N 0 3 264.304 1.851 20 10 CDCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000296785687 378747795 /nfs/dbraw/zinc/74/77/95/378747795.db2.gz KWTUHXGNJCPQPS-WCQYABFASA-N 0 3 272.348 1.732 20 10 CDCDHN COC[C@H](C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000179439255 391205549 /nfs/dbraw/zinc/20/55/49/391205549.db2.gz JBXZOCDOHMEUHY-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN COC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000179439255 391205550 /nfs/dbraw/zinc/20/55/50/391205550.db2.gz JBXZOCDOHMEUHY-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN COC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000179439255 391205551 /nfs/dbraw/zinc/20/55/51/391205551.db2.gz JBXZOCDOHMEUHY-JTQLQIEISA-N 0 3 269.341 1.876 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000183628472 391268356 /nfs/dbraw/zinc/26/83/56/391268356.db2.gz OFLQCWSQNIABOP-VXGBXAGGSA-N 0 3 298.408 1.324 20 10 CDCDHN Cc1cc(O)c(CN(C)CCN2CCOCC2)cc1C ZINC000071920483 176300410 /nfs/dbraw/zinc/30/04/10/176300410.db2.gz YRRLIBPNSVMHIP-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](C)CCN2CCOCC2)cc1C ZINC000071920483 176300412 /nfs/dbraw/zinc/30/04/12/176300412.db2.gz YRRLIBPNSVMHIP-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](C)CCN2CCOCC2)cc1C ZINC000071920483 176300413 /nfs/dbraw/zinc/30/04/13/176300413.db2.gz YRRLIBPNSVMHIP-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126402920 260351321 /nfs/dbraw/zinc/35/13/21/260351321.db2.gz FWXKZWZZCDMCJP-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000154994902 261096899 /nfs/dbraw/zinc/09/68/99/261096899.db2.gz OZIDUBZAWUBFLA-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000154994902 261096900 /nfs/dbraw/zinc/09/69/00/261096900.db2.gz OZIDUBZAWUBFLA-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN C[C@H]([NH2+]CCOCCO)c1cc2c(cc1[O-])CCCC2 ZINC000184886880 262032367 /nfs/dbraw/zinc/03/23/67/262032367.db2.gz ZYFAFEAJRJCSNJ-LBPRGKRZSA-N 0 3 279.380 1.931 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185393115 262053060 /nfs/dbraw/zinc/05/30/60/262053060.db2.gz SOROEPVDTRXTOK-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN Cn1cc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2)cn1 ZINC000371496120 267417321 /nfs/dbraw/zinc/41/73/21/267417321.db2.gz HMHZWCSSWFERBH-ZDUSSCGKSA-N 0 3 290.342 1.633 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287330667 328250845 /nfs/dbraw/zinc/25/08/45/328250845.db2.gz FYEMHEWSKGUNKR-LBPRGKRZSA-N 0 3 295.379 1.983 20 10 CDCDHN CS[C@H](CO)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000219065485 329144680 /nfs/dbraw/zinc/14/46/80/329144680.db2.gz AKXQTUPCAUHDLY-QMTHXVAHSA-N 0 3 267.394 1.824 20 10 CDCDHN COc1cccc(C[NH2+]CCOCC(F)F)c1[O-] ZINC000190889490 329401906 /nfs/dbraw/zinc/40/19/06/329401906.db2.gz WWLONQKGQBZXTO-UHFFFAOYSA-N 0 3 261.268 1.772 20 10 CDCDHN COc1cc(Cl)cc(CNCC(=O)NC2CC2)c1O ZINC000229050308 333300327 /nfs/dbraw/zinc/30/03/27/333300327.db2.gz KBBRPUJWGJPSRS-UHFFFAOYSA-N 0 3 284.743 1.422 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC1 ZINC000135204694 334119676 /nfs/dbraw/zinc/11/96/76/334119676.db2.gz VKVIYUQZRFAUCM-NXEZZACHSA-N 0 3 265.309 1.636 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000290268718 524010542 /nfs/dbraw/zinc/01/05/42/524010542.db2.gz VXZNWLJLSFSXRG-WLTAIBSBSA-N 0 3 255.289 1.596 20 10 CDCDHN C[C@H]1CN(CCC[NH2+]Cc2ccccc2[O-])CCCO1 ZINC000277950989 524593449 /nfs/dbraw/zinc/59/34/49/524593449.db2.gz RMFTWJYSVYSYDR-AWEZNQCLSA-N 0 3 278.396 1.983 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275690333 524744613 /nfs/dbraw/zinc/74/46/13/524744613.db2.gz ASASWIXMKUFZCF-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275690333 524744622 /nfs/dbraw/zinc/74/46/22/524744622.db2.gz ASASWIXMKUFZCF-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275690333 524744627 /nfs/dbraw/zinc/74/46/27/524744627.db2.gz ASASWIXMKUFZCF-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278590070 524756831 /nfs/dbraw/zinc/75/68/31/524756831.db2.gz DUFMYDHILRGYLL-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083398 525392043 /nfs/dbraw/zinc/39/20/43/525392043.db2.gz ILYMOGJWYUVPTK-STQMWFEESA-N 0 3 296.436 1.838 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000279828649 526015944 /nfs/dbraw/zinc/01/59/44/526015944.db2.gz PZSOYWQGCRJQOC-UHFFFAOYSA-N 0 3 262.353 1.752 20 10 CDCDHN CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000743586871 576645924 /nfs/dbraw/zinc/64/59/24/576645924.db2.gz JOVWKMVTGQRUCQ-JTQLQIEISA-N 0 3 256.371 1.770 20 10 CDCDHN CC(C)[C@H](CN(C)C)NC(=O)C1=CC(=O)CS1 ZINC000743586871 576645926 /nfs/dbraw/zinc/64/59/26/576645926.db2.gz JOVWKMVTGQRUCQ-JTQLQIEISA-N 0 3 256.371 1.770 20 10 CDCDHN COCCN(CCC(=O)OC)Cc1cccc(OC)c1O ZINC000769423019 576353102 /nfs/dbraw/zinc/35/31/02/576353102.db2.gz OLEVYQOKYXCUKH-UHFFFAOYSA-N 0 3 297.351 1.412 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769484844 576358490 /nfs/dbraw/zinc/35/84/90/576358490.db2.gz VPDCBZZCLNTKMI-LLVKDONJSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769484844 576358492 /nfs/dbraw/zinc/35/84/92/576358492.db2.gz VPDCBZZCLNTKMI-LLVKDONJSA-N 0 3 279.336 1.928 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCc2ccn(C)n2)cc1OC ZINC000761225881 576561191 /nfs/dbraw/zinc/56/11/91/576561191.db2.gz JOGTVZHEEUETSZ-UHFFFAOYSA-N 0 3 291.351 1.475 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1cc(OC)ccc1O ZINC000757926790 577061398 /nfs/dbraw/zinc/06/13/98/577061398.db2.gz OOYFNTSQGKWYTR-HNNXBMFYSA-N 0 3 297.351 1.459 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCN(C)C1=O ZINC000840935480 617607840 /nfs/dbraw/zinc/60/78/40/617607840.db2.gz QSRGXCOLVCMKRX-HNNXBMFYSA-N 0 3 275.396 1.771 20 10 CDCDHN COC(=O)[C@H]1[C@H](CNCc2ccc3c(c2)CCO3)C1(F)F ZINC000894213678 618729282 /nfs/dbraw/zinc/72/92/82/618729282.db2.gz PKACJZJUKLUENS-WCQYABFASA-N 0 3 297.301 1.765 20 10 CDCDHN COc1cc(C)cc(CN2CCN(CCO)[C@H](C)C2)c1O ZINC000894503570 618924520 /nfs/dbraw/zinc/92/45/20/618924520.db2.gz JWLOYKSLTFVHPG-CYBMUJFWSA-N 0 3 294.395 1.208 20 10 CDCDHN COc1ccc(C[N@H+](C)CC(C)(C)CO)c([O-])c1OC ZINC000894688394 619019569 /nfs/dbraw/zinc/01/95/69/619019569.db2.gz RVJKYHGTVGSBKS-UHFFFAOYSA-N 0 3 283.368 1.860 20 10 CDCDHN COc1ccc(C[N@@H+](C)CC(C)(C)CO)c([O-])c1OC ZINC000894688394 619019570 /nfs/dbraw/zinc/01/95/70/619019570.db2.gz RVJKYHGTVGSBKS-UHFFFAOYSA-N 0 3 283.368 1.860 20 10 CDCDHN CC[C@@H]1C(=O)NCCCN1Cc1cccc(C)c1O ZINC000898546734 621788187 /nfs/dbraw/zinc/78/81/87/621788187.db2.gz YBHCFEBHCCGQHG-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000155011795 1178153747 /nfs/dbraw/zinc/15/37/47/1178153747.db2.gz XUDVMCGORBPTOS-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000155011795 1178153752 /nfs/dbraw/zinc/15/37/52/1178153752.db2.gz XUDVMCGORBPTOS-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000834851297 782239077 /nfs/dbraw/zinc/23/90/77/782239077.db2.gz WPRVBAMOLFVRGZ-KGLIPLIRSA-N 0 3 278.396 1.890 20 10 CDCDHN CCNC(=O)CNCc1ccc(N2CCCC2)cc1 ZINC000037262457 1165762978 /nfs/dbraw/zinc/76/29/78/1165762978.db2.gz JLOWLOKECRRYBW-UHFFFAOYSA-N 0 3 261.369 1.513 20 10 CDCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C ZINC000037267788 1165763055 /nfs/dbraw/zinc/76/30/55/1165763055.db2.gz YJTIUQKQHUBSRA-ZDUSSCGKSA-N 0 3 275.396 1.853 20 10 CDCDHN CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(O)c1[O-] ZINC000097933603 782822559 /nfs/dbraw/zinc/82/25/59/782822559.db2.gz PHFWRJHREJVIFY-UHFFFAOYSA-N 0 3 278.352 1.654 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877120740 1165978995 /nfs/dbraw/zinc/97/89/95/1165978995.db2.gz UPTYAZKEIBYAMV-QWHCGFSZSA-N 0 3 262.353 1.705 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(N(C)C)CC1 ZINC000841891821 780280815 /nfs/dbraw/zinc/28/08/15/780280815.db2.gz PMWQVSODMYWFTR-UHFFFAOYSA-N 0 3 250.342 1.585 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)N(C)C ZINC000840941675 780699141 /nfs/dbraw/zinc/69/91/41/780699141.db2.gz HEPQKLBFPZXKQL-LBPRGKRZSA-N 0 3 263.385 1.627 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)c([O-])c1 ZINC000922641457 780897075 /nfs/dbraw/zinc/89/70/75/780897075.db2.gz LTCBOJNBBFDEHM-GXFFZTMASA-N 0 3 251.326 1.915 20 10 CDCDHN Cc1ccc(CNCCS(=O)(=O)C2CC2)c(O)c1 ZINC000877591243 781259709 /nfs/dbraw/zinc/25/97/09/781259709.db2.gz PZCZJUWQWUXFLP-UHFFFAOYSA-N 0 3 269.366 1.367 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)N(C)OC)c1 ZINC000858325423 781276844 /nfs/dbraw/zinc/27/68/44/781276844.db2.gz XQWNGCRBSZWRLR-SNVBAGLBSA-N 0 3 282.340 1.289 20 10 CDCDHN CN(C)c1ccc(CN2CCSC[C@H]2CO)cc1 ZINC000785760921 781344544 /nfs/dbraw/zinc/34/45/44/781344544.db2.gz ORFDSLSTJJJTGJ-CQSZACIVSA-N 0 3 266.410 1.662 20 10 CDCDHN CNC(=O)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858174497 781843820 /nfs/dbraw/zinc/84/38/20/781843820.db2.gz RTFDOUMUJIBKKD-VIFPVBQESA-N 0 3 285.338 1.645 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883269677 781889737 /nfs/dbraw/zinc/88/97/37/781889737.db2.gz SAPIOQPLFAIYGA-CYBMUJFWSA-N 0 3 261.321 1.926 20 10 CDCDHN C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccccc1[O-] ZINC000879649283 1166392850 /nfs/dbraw/zinc/39/28/50/1166392850.db2.gz PBFIGJWUPIZZCC-LLVKDONJSA-N 0 3 286.397 1.324 20 10 CDCDHN COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649116 1166392207 /nfs/dbraw/zinc/39/22/07/1166392207.db2.gz ISGVKOXWHSYZEW-NEPJUHHUSA-N 0 3 269.341 1.067 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1F ZINC001206200641 912567326 /nfs/dbraw/zinc/56/73/26/912567326.db2.gz SIRJQFNNCRJIML-ONGXEEELSA-N 0 3 274.286 1.932 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173759894 912807386 /nfs/dbraw/zinc/80/73/86/912807386.db2.gz VJZVJCQLDFDOCC-RYUDHWBXSA-N 0 3 289.339 1.358 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140056161 894767257 /nfs/dbraw/zinc/76/72/57/894767257.db2.gz KCHJEKGDSYGXDP-HNNXBMFYSA-N 0 3 294.370 1.828 20 10 CDCDHN CCN1CCC[C@@H](NCc2ccc(N(C)C)cc2)C1=O ZINC000722360885 901116508 /nfs/dbraw/zinc/11/65/08/901116508.db2.gz CJLMQWOKVYNVMX-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CN(C)CCO1 ZINC000783518218 905864709 /nfs/dbraw/zinc/86/47/09/905864709.db2.gz KBIQTDFWIBNHSG-YWPYICTPSA-N 0 3 264.369 1.762 20 10 CDCDHN COCC[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000775203516 921207555 /nfs/dbraw/zinc/20/75/55/921207555.db2.gz LJNCNVDGAGNLMP-AWEZNQCLSA-N 0 3 269.316 1.817 20 10 CDCDHN CCOc1cccc(CN(C)C[C@H]2COCCO2)c1O ZINC000827139724 936492495 /nfs/dbraw/zinc/49/24/95/936492495.db2.gz CYTIYPLJGKMWGL-ZDUSSCGKSA-N 0 3 281.352 1.638 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@]23CCN(C)C3=O)cc1 ZINC001272916466 920030283 /nfs/dbraw/zinc/03/02/83/920030283.db2.gz IXGCUEWKPWPRRX-KRWDZBQOSA-N 0 3 287.407 1.949 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140055663 936674601 /nfs/dbraw/zinc/67/46/01/936674601.db2.gz OOWYWSAHSBQQDD-IUODEOHRSA-N 0 3 281.327 1.626 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140055663 936674603 /nfs/dbraw/zinc/67/46/03/936674603.db2.gz OOWYWSAHSBQQDD-IUODEOHRSA-N 0 3 281.327 1.626 20 10 CDCDHN Cc1ccc(C)c(CN2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001140182698 936684809 /nfs/dbraw/zinc/68/48/09/936684809.db2.gz XRCHKLSPCIGNKZ-AWEZNQCLSA-N 0 3 290.407 1.914 20 10 CDCDHN COc1ccc(O)c(CN(C)CC(OC)OC)c1 ZINC001203680339 920959159 /nfs/dbraw/zinc/95/91/59/920959159.db2.gz QDNUKKXBUJQUIY-UHFFFAOYSA-N 0 3 255.314 1.452 20 10 CDCDHN COCCN1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140462659 936712546 /nfs/dbraw/zinc/71/25/46/936712546.db2.gz KQFJUMVZOXCFSC-UHFFFAOYSA-N 0 3 284.787 1.810 20 10 CDCDHN COC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000689544483 936765819 /nfs/dbraw/zinc/76/58/19/936765819.db2.gz DKILKMARZZRFOM-UHFFFAOYSA-N 0 3 256.277 1.319 20 10 CDCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141159352 936822228 /nfs/dbraw/zinc/82/22/28/936822228.db2.gz FJXRFNARWOLWIM-LLVKDONJSA-N 0 3 279.336 1.873 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1(CO)CCC1 ZINC000784675687 937307026 /nfs/dbraw/zinc/30/70/26/937307026.db2.gz UUFRCZSWTLEGIV-UHFFFAOYSA-N 0 3 251.326 1.653 20 10 CDCDHN C[C@H](NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964741 930645738 /nfs/dbraw/zinc/64/57/38/930645738.db2.gz GOHGYUKCCIFSDX-QMMMGPOBSA-N 0 3 251.286 1.170 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817959277 930647036 /nfs/dbraw/zinc/64/70/36/930647036.db2.gz FADFYZMGXJDHNC-RNCFNFMXSA-N 0 3 278.352 1.567 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000824576163 931464109 /nfs/dbraw/zinc/46/41/09/931464109.db2.gz BNWSMXUKWWTBHX-LLVKDONJSA-N 0 3 294.351 1.673 20 10 CDCDHN CN1CCO[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906776 932123874 /nfs/dbraw/zinc/12/38/74/932123874.db2.gz KOLNUEMLTKFYAY-MRXNPFEDSA-N 0 3 294.370 1.828 20 10 CDCDHN CN1CCO[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906776 932123879 /nfs/dbraw/zinc/12/38/79/932123879.db2.gz KOLNUEMLTKFYAY-MRXNPFEDSA-N 0 3 294.370 1.828 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552743 939692777 /nfs/dbraw/zinc/69/27/77/939692777.db2.gz RUQBKXMIGGDWSX-NHAGDIPZSA-N 0 3 274.364 1.595 20 10 CDCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552743 939692779 /nfs/dbraw/zinc/69/27/79/939692779.db2.gz RUQBKXMIGGDWSX-NHAGDIPZSA-N 0 3 274.364 1.595 20 10 CDCDHN CC[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC001203558586 939693139 /nfs/dbraw/zinc/69/31/39/939693139.db2.gz NOHCVKACQYAGIL-UHFFFAOYSA-N 0 3 264.369 1.546 20 10 CDCDHN CC[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC001203558586 939693141 /nfs/dbraw/zinc/69/31/41/939693141.db2.gz NOHCVKACQYAGIL-UHFFFAOYSA-N 0 3 264.369 1.546 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC001203634611 939699073 /nfs/dbraw/zinc/69/90/73/939699073.db2.gz NMVCDDFXBULVAQ-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC001203634611 939699075 /nfs/dbraw/zinc/69/90/75/939699075.db2.gz NMVCDDFXBULVAQ-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CN(C)c1ccc(CN2CCOC[C@](C)(O)C2)cc1 ZINC001203931152 939714640 /nfs/dbraw/zinc/71/46/40/939714640.db2.gz NTENNVWORKEEEU-OAHLLOKOSA-N 0 3 264.369 1.336 20 10 CDCDHN O=C1COC2(C1)CCN(Cc1ccc(O)cc1O)CC2 ZINC001204276719 939750860 /nfs/dbraw/zinc/75/08/60/939750860.db2.gz PCYMRFZZPSLISI-UHFFFAOYSA-N 0 3 277.320 1.422 20 10 CDCDHN [NH3+][C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109737 939822681 /nfs/dbraw/zinc/82/26/81/939822681.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 0 3 256.296 1.984 20 10 CDCDHN C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@H]1C[NH3+] ZINC001205141178 939827790 /nfs/dbraw/zinc/82/77/90/939827790.db2.gz XZGVSUUSMJEUPC-WCBMZHEXSA-N 0 3 256.296 1.697 20 10 CDCDHN COCOCCCN1CCCc2cc(O)c(O)cc2C1 ZINC001209030848 940427030 /nfs/dbraw/zinc/42/70/30/940427030.db2.gz CKJYOJIYJJGCSB-UHFFFAOYSA-N 0 3 281.352 1.857 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001231855590 943030310 /nfs/dbraw/zinc/03/03/10/943030310.db2.gz WONOOWCHXQNDRQ-XJKSGUPXSA-N 0 3 276.380 1.982 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1Cl ZINC001231867164 943036267 /nfs/dbraw/zinc/03/62/67/943036267.db2.gz HZMBEUSBXPJQGL-QMTHXVAHSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1Cl ZINC001231867164 943036270 /nfs/dbraw/zinc/03/62/70/943036270.db2.gz HZMBEUSBXPJQGL-QMTHXVAHSA-N 0 3 285.771 1.529 20 10 CDCDHN C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC[C@@]1(C)O ZINC001233010379 943460508 /nfs/dbraw/zinc/46/05/08/943460508.db2.gz QEJVGKKRSPPEOP-ZUZCIYMTSA-N 0 3 281.352 1.786 20 10 CDCDHN CC(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 ZINC001301115256 955931510 /nfs/dbraw/zinc/93/15/10/955931510.db2.gz FKFSLBYUFAAXEZ-GFCCVEGCSA-N 0 3 278.352 1.097 20 10 CDCDHN CN1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001331248779 956916066 /nfs/dbraw/zinc/91/60/66/956916066.db2.gz ANFIYXCCRPTVEZ-INIZCTEOSA-N 0 3 287.407 1.997 20 10 CDCDHN CN(C)c1ccc(Cn2cc(CNCC3CC3)nn2)cc1 ZINC001331885148 957315678 /nfs/dbraw/zinc/31/56/78/957315678.db2.gz NIBBAZBQOPAJIJ-UHFFFAOYSA-N 0 3 285.395 1.892 20 10 CDCDHN COCn1ncc(C)c1CNCc1cccc(OC)c1O ZINC001336813032 960617399 /nfs/dbraw/zinc/61/73/99/960617399.db2.gz MJQORIHZWRYUSP-UHFFFAOYSA-N 0 3 291.351 1.799 20 10 CDCDHN CN1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC001338625375 961916246 /nfs/dbraw/zinc/91/62/46/961916246.db2.gz INJIBXMRRDWRHO-HNNXBMFYSA-N 0 3 290.411 1.595 20 10 CDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(O)c1O ZINC001352658346 967408014 /nfs/dbraw/zinc/40/80/14/967408014.db2.gz SVBXCHUSOXKTSA-PHIMTYICSA-N 0 3 278.352 1.587 20 10 CDCDHN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295096166 199342190 /nfs/dbraw/zinc/34/21/90/199342190.db2.gz SBVGCDXEGPHBBV-VIFPVBQESA-N 0 3 267.325 1.760 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCO1)OCO2 ZINC000042879349 357083133 /nfs/dbraw/zinc/08/31/33/357083133.db2.gz QBLXLPQUIUZZRK-SNVBAGLBSA-N 0 3 251.282 1.390 20 10 CDCDHN Cc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000179636989 357216916 /nfs/dbraw/zinc/21/69/16/357216916.db2.gz RZFDAXJOTLFEAX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000179636989 357216922 /nfs/dbraw/zinc/21/69/22/357216922.db2.gz RZFDAXJOTLFEAX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000179636989 357216928 /nfs/dbraw/zinc/21/69/28/357216928.db2.gz RZFDAXJOTLFEAX-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000180066916 357241221 /nfs/dbraw/zinc/24/12/21/357241221.db2.gz UFQULLHDBWGEPJ-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)NC)cc1 ZINC000187190955 357739083 /nfs/dbraw/zinc/73/90/83/357739083.db2.gz RIANKRVTAZFWLU-LBPRGKRZSA-N 0 3 299.440 1.343 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000188683121 357926186 /nfs/dbraw/zinc/92/61/86/357926186.db2.gz WKSPHPXOCGZYBU-UHFFFAOYSA-N 0 3 265.309 1.444 20 10 CDCDHN CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1[O-] ZINC000294827696 199200474 /nfs/dbraw/zinc/20/04/74/199200474.db2.gz LDNXGTYVULXMJG-HNNXBMFYSA-N 0 3 278.396 1.890 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000178692847 366495994 /nfs/dbraw/zinc/49/59/94/366495994.db2.gz JLASZALZOSKQTK-AWEZNQCLSA-N 0 3 293.363 1.936 20 10 CDCDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000178692847 366495999 /nfs/dbraw/zinc/49/59/99/366495999.db2.gz JLASZALZOSKQTK-AWEZNQCLSA-N 0 3 293.363 1.936 20 10 CDCDHN O=C(NCCNCc1ccc2c(c1)CCO2)C1CC1 ZINC000048609503 359211615 /nfs/dbraw/zinc/21/16/15/359211615.db2.gz PRYKYFMVFUHDDK-UHFFFAOYSA-N 0 3 260.337 1.237 20 10 CDCDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000038013887 359473179 /nfs/dbraw/zinc/47/31/79/359473179.db2.gz NOSXIRZXYAIUSC-LLVKDONJSA-N 0 3 280.368 1.795 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000297346148 200156089 /nfs/dbraw/zinc/15/60/89/200156089.db2.gz OUQLXCZNWANRJB-KGLIPLIRSA-N 0 3 278.396 1.890 20 10 CDCDHN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1[O-] ZINC000282421704 364096237 /nfs/dbraw/zinc/09/62/37/364096237.db2.gz SRTNNNUDQYIAOH-QGHHPUGFSA-N 0 3 253.367 1.954 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000281521593 367650256 /nfs/dbraw/zinc/65/02/56/367650256.db2.gz HSYNYGMXYILUEQ-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCCF)c1 ZINC000282963857 368124624 /nfs/dbraw/zinc/12/46/24/368124624.db2.gz ZULVUCIBSJRPPO-ZJUUUORDSA-N 0 3 284.331 1.526 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000273579556 371168543 /nfs/dbraw/zinc/16/85/43/371168543.db2.gz MIIBRMUUGMCVBX-VHSXEESVSA-N 0 3 264.325 1.282 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273579556 371168547 /nfs/dbraw/zinc/16/85/47/371168547.db2.gz MIIBRMUUGMCVBX-VHSXEESVSA-N 0 3 264.325 1.282 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296450122 371438557 /nfs/dbraw/zinc/43/85/57/371438557.db2.gz NFFYFUNHMJVXOZ-NSHDSACASA-N 0 3 281.377 1.546 20 10 CDCDHN CN1CCCc2cc(CNc3nc(N)nc(N)n3)ccc21 ZINC000858373738 781974313 /nfs/dbraw/zinc/97/43/13/781974313.db2.gz OWQANZNSODYELP-UHFFFAOYSA-N 0 3 285.355 1.031 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168734342 390936907 /nfs/dbraw/zinc/93/69/07/390936907.db2.gz QLMJVGYSVJBSNR-SNVBAGLBSA-N 0 3 278.352 1.578 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000124816891 391227067 /nfs/dbraw/zinc/22/70/67/391227067.db2.gz GROVLMBEKRFLSG-CQSZACIVSA-N 0 3 263.385 1.036 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c([O-])c1O ZINC000182319645 391233112 /nfs/dbraw/zinc/23/31/12/391233112.db2.gz YEYITQIQLKBTFK-JTQLQIEISA-N 0 3 278.352 1.619 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([O-])c1O ZINC000182319645 391233114 /nfs/dbraw/zinc/23/31/14/391233114.db2.gz YEYITQIQLKBTFK-JTQLQIEISA-N 0 3 278.352 1.619 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](OCCO)C2)cc1C ZINC000179573883 391211667 /nfs/dbraw/zinc/21/16/67/391211667.db2.gz XLHWHRMZUGUVFS-HNNXBMFYSA-N 0 3 279.380 1.982 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](OCCO)C2)cc1C ZINC000179573883 391211671 /nfs/dbraw/zinc/21/16/71/391211671.db2.gz XLHWHRMZUGUVFS-HNNXBMFYSA-N 0 3 279.380 1.982 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)N(C)CC)c1ccccc1[O-] ZINC000183348281 391261998 /nfs/dbraw/zinc/26/19/98/391261998.db2.gz PQYMAXLMTWBQLU-LBPRGKRZSA-N 0 3 250.342 1.911 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183485245 391265793 /nfs/dbraw/zinc/26/57/93/391265793.db2.gz WQHAMXDVZWAACU-ZYHUDNBSSA-N 0 3 272.352 1.958 20 10 CDCDHN C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1[O-] ZINC000183625256 391267853 /nfs/dbraw/zinc/26/78/53/391267853.db2.gz WSIMFQYOJLKGPI-LBPRGKRZSA-N 0 3 265.353 1.832 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000362236000 391716495 /nfs/dbraw/zinc/71/64/95/391716495.db2.gz CVFLTTYXKXRWBU-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CN1CCN(C)[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297704443 392442332 /nfs/dbraw/zinc/44/23/32/392442332.db2.gz MNNHOLIODUWJDY-KBPBESRZSA-N 0 3 275.396 1.215 20 10 CDCDHN CCOc1cccc(C[NH2+]CC[C@@H](O)COC)c1[O-] ZINC000153754951 392403556 /nfs/dbraw/zinc/40/35/56/392403556.db2.gz BXHLBQPNJQUSHM-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617174 298644842 /nfs/dbraw/zinc/64/48/42/298644842.db2.gz WNLOJQUVGCCFKQ-NEPJUHHUSA-N 0 3 282.359 1.903 20 10 CDCDHN COc1cccc(C[NH2+]C[C@](C)(O)CSC)c1[O-] ZINC000120633901 412407803 /nfs/dbraw/zinc/40/78/03/412407803.db2.gz JUMGRYBATWGEBL-ZDUSSCGKSA-N 0 3 271.382 1.604 20 10 CDCDHN COc1cccc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000093840143 260332000 /nfs/dbraw/zinc/33/20/00/260332000.db2.gz IFXYGNOBHLGFQS-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000093840143 260332001 /nfs/dbraw/zinc/33/20/01/260332001.db2.gz IFXYGNOBHLGFQS-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000185392733 262052996 /nfs/dbraw/zinc/05/29/96/262052996.db2.gz XWEAXLYSKRWABD-GJZGRUSLSA-N 0 3 291.439 1.987 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1 ZINC000186221559 262084386 /nfs/dbraw/zinc/08/43/86/262084386.db2.gz RVWLMTIYHBAQSD-SNVBAGLBSA-N 0 3 250.342 1.863 20 10 CDCDHN COCCCN(C)CCNC(=O)NCc1ccccc1O ZINC000266487291 328169519 /nfs/dbraw/zinc/16/95/19/328169519.db2.gz IRLLXJZBNIKTBO-UHFFFAOYSA-N 0 3 295.383 1.160 20 10 CDCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000877484444 782086093 /nfs/dbraw/zinc/08/60/93/782086093.db2.gz AXLQFPZQINNLAG-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000877484444 782086109 /nfs/dbraw/zinc/08/61/09/782086109.db2.gz AXLQFPZQINNLAG-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608170 329262190 /nfs/dbraw/zinc/26/21/90/329262190.db2.gz XCADCVDNFNTSGM-QMMMGPOBSA-N 0 3 261.318 1.054 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000188496691 329369502 /nfs/dbraw/zinc/36/95/02/329369502.db2.gz MAGZVHDHXFJZHC-GHMZBOCLSA-N 0 3 250.342 1.910 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000724872518 1159233142 /nfs/dbraw/zinc/23/31/42/1159233142.db2.gz MKAJCEIFAKRLHJ-OUCADQQQSA-N 0 3 263.337 1.773 20 10 CDCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H](O)CO ZINC001236829544 1161272477 /nfs/dbraw/zinc/27/24/77/1161272477.db2.gz IPVOEXMFFZCYII-CQSZACIVSA-N 0 3 261.321 1.330 20 10 CDCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H](O)CO ZINC001236829544 1161272479 /nfs/dbraw/zinc/27/24/79/1161272479.db2.gz IPVOEXMFFZCYII-CQSZACIVSA-N 0 3 261.321 1.330 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)CNC)cc1F ZINC000236906288 520897316 /nfs/dbraw/zinc/89/73/16/520897316.db2.gz FCJZCNUALXKBFC-UHFFFAOYSA-N 0 3 267.348 1.508 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@H](O)COC)cc1 ZINC000071269342 520904515 /nfs/dbraw/zinc/90/45/15/520904515.db2.gz FCXNFGUTDYMPQH-HNNXBMFYSA-N 0 3 266.385 1.630 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252744083 524756227 /nfs/dbraw/zinc/75/62/27/524756227.db2.gz RBMHWWYRSJIRNF-HAQNSBGRSA-N 0 3 251.326 1.794 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2COC[C@@H]2OC)c1 ZINC000290022630 524767163 /nfs/dbraw/zinc/76/71/63/524767163.db2.gz CJVGDUOKCVJHBI-LQJRIPTKSA-N 0 3 267.325 1.465 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038082793 524772531 /nfs/dbraw/zinc/77/25/31/524772531.db2.gz VKRHSWSHUKKKNW-QWRGUYRKSA-N 0 3 299.392 1.486 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278484823 525355177 /nfs/dbraw/zinc/35/51/77/525355177.db2.gz KFPFOAOHWIVRNM-CQSZACIVSA-N 0 3 251.326 1.332 20 10 CDCDHN C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)ccc1[O-] ZINC000289614711 525443633 /nfs/dbraw/zinc/44/36/33/525443633.db2.gz DGFFMQRWXOQUMN-SNVBAGLBSA-N 0 3 294.330 1.356 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000129527156 525942234 /nfs/dbraw/zinc/94/22/34/525942234.db2.gz ZASMRFKQZBIVHQ-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000129527156 525942243 /nfs/dbraw/zinc/94/22/43/525942243.db2.gz ZASMRFKQZBIVHQ-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CCN(C)c1ccc(CN2CCN(C)C[C@H]2CO)cc1 ZINC000879001435 782170158 /nfs/dbraw/zinc/17/01/58/782170158.db2.gz XDATXXPUWCMTKY-INIZCTEOSA-N 0 3 277.412 1.251 20 10 CDCDHN CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([O-])cs1 ZINC000734552672 575358021 /nfs/dbraw/zinc/35/80/21/575358021.db2.gz JOKNQNACHVYKSM-SNVBAGLBSA-N 0 3 268.382 1.868 20 10 CDCDHN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([O-])cs1 ZINC000734552672 575358022 /nfs/dbraw/zinc/35/80/22/575358022.db2.gz JOKNQNACHVYKSM-SNVBAGLBSA-N 0 3 268.382 1.868 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1O ZINC000770380814 575475811 /nfs/dbraw/zinc/47/58/11/575475811.db2.gz NPVFPINRFOTTPU-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1O ZINC000770380814 575475812 /nfs/dbraw/zinc/47/58/12/575475812.db2.gz NPVFPINRFOTTPU-GXFFZTMASA-N 0 3 251.326 1.604 20 10 CDCDHN CCN(C)c1ccc(CN2CCN(C[C@H](C)O)CC2)cc1 ZINC000773748732 575837360 /nfs/dbraw/zinc/83/73/60/575837360.db2.gz RGBTZEOEDCPHDV-HNNXBMFYSA-N 0 3 291.439 1.641 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000764679230 575933686 /nfs/dbraw/zinc/93/36/86/575933686.db2.gz QONSJYMSSIOHHT-OAHLLOKOSA-N 0 3 295.379 1.668 20 10 CDCDHN C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768447066 576283775 /nfs/dbraw/zinc/28/37/75/576283775.db2.gz QRCNXUNZDWQDFV-SWLSCSKDSA-N 0 3 292.379 1.344 20 10 CDCDHN COc1cc(CN2CC[C@@H](OC)C2)c(O)cc1C ZINC000768463103 576287289 /nfs/dbraw/zinc/28/72/89/576287289.db2.gz GIKJFPLSACGEJH-GFCCVEGCSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)CC2(O)CCC2)c1 ZINC000761219314 576560768 /nfs/dbraw/zinc/56/07/68/576560768.db2.gz NBXLWNPWSZTHDG-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)CC2(O)CCC2)c1 ZINC000761219314 576560769 /nfs/dbraw/zinc/56/07/69/576560769.db2.gz NBXLWNPWSZTHDG-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COCCOC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000742376784 576599192 /nfs/dbraw/zinc/59/91/92/576599192.db2.gz HFUWXPXCDSJNHS-NSHDSACASA-N 0 3 269.341 1.542 20 10 CDCDHN COc1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000753858988 576863287 /nfs/dbraw/zinc/86/32/87/576863287.db2.gz YVPOBHWICASKEE-CYBMUJFWSA-N 0 3 294.370 1.993 20 10 CDCDHN CCOCc1cc(CNC[C@@H]2COCCO2)ccc1OC ZINC000747855052 576887357 /nfs/dbraw/zinc/88/73/57/576887357.db2.gz YCWARGCLFGJZQQ-OAHLLOKOSA-N 0 3 295.379 1.737 20 10 CDCDHN COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)c(O)c1OC ZINC000893669269 617819204 /nfs/dbraw/zinc/81/92/04/617819204.db2.gz LSPGNJZXLQRISI-NWDGAFQWSA-N 0 3 294.395 1.934 20 10 CDCDHN CC1=NO[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000895311058 619540336 /nfs/dbraw/zinc/54/03/36/619540336.db2.gz NTPUOMVYIPXFSE-MRXNPFEDSA-N 0 3 289.379 1.778 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1 ZINC000895576183 619733853 /nfs/dbraw/zinc/73/38/53/619733853.db2.gz JUNHZIRUIRYNTI-BETUJISGSA-N 0 3 278.327 1.441 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1 ZINC000895576183 619733855 /nfs/dbraw/zinc/73/38/55/619733855.db2.gz JUNHZIRUIRYNTI-BETUJISGSA-N 0 3 278.327 1.441 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(O)cc1O)N(C)C ZINC000910951613 629115599 /nfs/dbraw/zinc/11/55/99/629115599.db2.gz VFNNBIYMRWFARG-LLVKDONJSA-N 0 3 252.314 1.054 20 10 CDCDHN CC[S@](=O)CCNCc1ccc2c(c1)CCCO2 ZINC000921720576 633238947 /nfs/dbraw/zinc/23/89/47/633238947.db2.gz BGOODFJZBDTNOI-SFHVURJKSA-N 0 3 267.394 1.870 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000876952690 1165947455 /nfs/dbraw/zinc/94/74/55/1165947455.db2.gz BPQSHERETPNFBI-UHFFFAOYSA-N 0 3 278.352 1.039 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])[C@H]1OC ZINC000877352446 1166023137 /nfs/dbraw/zinc/02/31/37/1166023137.db2.gz YHMPIDOPORHYFV-NWANDNLSSA-N 0 3 265.353 1.983 20 10 CDCDHN C[C@@H](NC(=O)CNC[C@H]1CCCO1)c1ccccc1O ZINC000870988485 1165249215 /nfs/dbraw/zinc/24/92/15/1165249215.db2.gz QPOUNJJEKHGQIH-VXGBXAGGSA-N 0 3 278.352 1.338 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000876913241 1165938374 /nfs/dbraw/zinc/93/83/74/1165938374.db2.gz OZTDJSJKGJBIFF-LLVKDONJSA-N 0 3 269.366 1.225 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2ccc(C)cc2[O-])CCCOC1 ZINC000877404537 1166032090 /nfs/dbraw/zinc/03/20/90/1166032090.db2.gz DKDMZLNVGGZSTQ-INIZCTEOSA-N 0 3 293.363 1.903 20 10 CDCDHN COC(=O)N(C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877633163 1166070834 /nfs/dbraw/zinc/07/08/34/1166070834.db2.gz BJMSWVHAPGOWLJ-UHFFFAOYSA-N 0 3 252.314 1.488 20 10 CDCDHN CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649294 1166391206 /nfs/dbraw/zinc/39/12/06/1166391206.db2.gz MTSWDGCIUQFCIH-YGRLFVJLSA-N 0 3 267.325 1.357 20 10 CDCDHN C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604131672 1167851645 /nfs/dbraw/zinc/85/16/45/1167851645.db2.gz BJOVOMYTAGULDJ-ZJUUUORDSA-N 0 3 266.341 1.868 20 10 CDCDHN COC(=O)Cc1ccc(O)c(Nc2ccncc2C)c1 ZINC001174539130 913198980 /nfs/dbraw/zinc/19/89/80/913198980.db2.gz FJBQYJROSFTTJJ-UHFFFAOYSA-N 0 3 272.304 1.977 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000382571311 894071678 /nfs/dbraw/zinc/07/16/78/894071678.db2.gz QNGXDAMOJWJNHY-NOZJJQNGSA-N 0 3 257.305 1.579 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C)C2=O)c1 ZINC000121034414 895176278 /nfs/dbraw/zinc/17/62/78/895176278.db2.gz RHLWVLOMOXUSQY-SKDRFNHKSA-N 0 3 264.325 1.282 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2c(C)ccc(C)c2O)CCN1C ZINC001140184276 895215214 /nfs/dbraw/zinc/21/52/14/895215214.db2.gz QCZARLSGFMLUED-CQSZACIVSA-N 0 3 292.379 1.298 20 10 CDCDHN CCN(CCN1CCOCC1)Cc1cc(O)ccc1O ZINC001141161259 899833126 /nfs/dbraw/zinc/83/31/26/899833126.db2.gz QDYSSIJQMRELOT-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172600987 911767815 /nfs/dbraw/zinc/76/78/15/911767815.db2.gz HCSTVAZPLMNROJ-ZYHUDNBSSA-N 0 3 279.336 1.919 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2C)c([O-])c1 ZINC000922641459 921723466 /nfs/dbraw/zinc/72/34/66/921723466.db2.gz LTCBOJNBBFDEHM-ZWNOBZJWSA-N 0 3 251.326 1.915 20 10 CDCDHN CCN(C(C)=O)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278126 916582549 /nfs/dbraw/zinc/58/25/49/916582549.db2.gz UTHDJRYHMAUYGI-UHFFFAOYSA-N 0 3 292.379 1.931 20 10 CDCDHN COc1cc(CN2CCC[C@H]2C(C)(C)O)cc(O)c1O ZINC001204346495 917963995 /nfs/dbraw/zinc/96/39/95/917963995.db2.gz SFHTXWKXCQQJLP-ZDUSSCGKSA-N 0 3 281.352 1.842 20 10 CDCDHN CN1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)CCCN2C ZINC001138359041 936525949 /nfs/dbraw/zinc/52/59/49/936525949.db2.gz IOSOZHJWWXKGTQ-HOTGVXAUSA-N 0 3 271.408 1.957 20 10 CDCDHN CC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754056 936534770 /nfs/dbraw/zinc/53/47/70/936534770.db2.gz UBMGSBVINUZHNE-SWLSCSKDSA-N 0 3 291.395 1.375 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@H](N)CC(F)F)ccc21 ZINC000827913884 936613661 /nfs/dbraw/zinc/61/36/61/936613661.db2.gz RICAVYNITDDPCL-GFCCVEGCSA-N 0 3 297.349 1.668 20 10 CDCDHN Cc1ccc(C)c(CN2CCCC[C@H]2C(N)=O)c1O ZINC001140180452 936684394 /nfs/dbraw/zinc/68/43/94/936684394.db2.gz WVYRGWFNBVOCBC-ZDUSSCGKSA-N 0 3 262.353 1.849 20 10 CDCDHN COc1cccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075122 936717188 /nfs/dbraw/zinc/71/71/88/936717188.db2.gz VTSQJZXWEINURO-CHWSQXEVSA-N 0 3 290.363 1.644 20 10 CDCDHN COc1cc(O)c(CN2CC([C@H](C)OC)C2)c(OC)c1 ZINC001141030851 936794877 /nfs/dbraw/zinc/79/48/77/936794877.db2.gz NSOMQIFBNQMMHO-JTQLQIEISA-N 0 3 281.352 1.876 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000839199558 936909189 /nfs/dbraw/zinc/90/91/89/936909189.db2.gz BPVJGTYPWWNRDO-DZGCQCFKSA-N 0 3 264.369 1.564 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001120269340 925702248 /nfs/dbraw/zinc/70/22/48/925702248.db2.gz QEERJKOBGSJKPD-QWHCGFSZSA-N 0 3 263.385 1.156 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN(C)C(=O)OC)c([O-])c1 ZINC000850389911 927426697 /nfs/dbraw/zinc/42/66/97/927426697.db2.gz KWYRXEBIKVAPGL-UHFFFAOYSA-N 0 3 282.340 1.579 20 10 CDCDHN CNC[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853249559 927992376 /nfs/dbraw/zinc/99/23/76/927992376.db2.gz REVFGRPCOIEMKK-SSDOTTSWSA-N 0 3 273.720 1.651 20 10 CDCDHN [NH3+][C@@]12CCC[C@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC000857226407 928681872 /nfs/dbraw/zinc/68/18/72/928681872.db2.gz NDFLKVSOGLFNAK-SMDDNHRTSA-N 0 3 250.317 1.845 20 10 CDCDHN CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccccc1[O-] ZINC000858588346 928891694 /nfs/dbraw/zinc/89/16/94/928891694.db2.gz ZCDRWAXVIUNTAT-PWSUYJOCSA-N 0 3 266.341 1.841 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C[C@H]1CCCO1)CC2 ZINC000886670235 930934258 /nfs/dbraw/zinc/93/42/58/930934258.db2.gz LDWFDWDVSJEDNB-MJBXVCDLSA-N 0 3 277.364 1.899 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@@H]1OC ZINC000824709197 931480865 /nfs/dbraw/zinc/48/08/65/931480865.db2.gz OOWTTXQAPQXADK-NHYWBVRUSA-N 0 3 281.352 1.542 20 10 CDCDHN CCOc1ccc(C[NH2+]C(COC)COC)c([O-])c1 ZINC000824921384 931486337 /nfs/dbraw/zinc/48/63/37/931486337.db2.gz KTILGOSBEUGQFV-UHFFFAOYSA-N 0 3 269.341 1.542 20 10 CDCDHN CCN1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000846097606 931979935 /nfs/dbraw/zinc/97/99/35/931979935.db2.gz SRTUJJQIOGCOBG-SNVBAGLBSA-N 0 3 266.316 1.489 20 10 CDCDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000044563046 932635390 /nfs/dbraw/zinc/63/53/90/932635390.db2.gz KHCYMXAYQRMBGA-AWEZNQCLSA-N 0 3 261.369 1.412 20 10 CDCDHN CCOc1cccc(CN2CCN(CCCO)CC2)c1O ZINC001203603044 939696091 /nfs/dbraw/zinc/69/60/91/939696091.db2.gz HGMNRWDYSFSHHP-UHFFFAOYSA-N 0 3 294.395 1.291 20 10 CDCDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001276616691 940437521 /nfs/dbraw/zinc/43/75/21/940437521.db2.gz HZBUEKLJRMRVAO-KOLCDFICSA-N 0 3 282.771 1.887 20 10 CDCDHN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001276616691 940437522 /nfs/dbraw/zinc/43/75/22/940437522.db2.gz HZBUEKLJRMRVAO-KOLCDFICSA-N 0 3 282.771 1.887 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400271320 940845923 /nfs/dbraw/zinc/84/59/23/940845923.db2.gz MSKFPYVCMZZENV-MNOVXSKESA-N 0 3 284.381 1.077 20 10 CDCDHN O=C(NC1CC2(C1)CC[NH2+]CC2)c1cc(O)c([O-])c(O)c1 ZINC001219780728 941386893 /nfs/dbraw/zinc/38/68/93/941386893.db2.gz CJRCBHLTTBLFFL-UHFFFAOYSA-N 0 3 292.335 1.065 20 10 CDCDHN Cc1cccc(CN2CCN(c3ccncn3)CC2)c1O ZINC001231592156 942938921 /nfs/dbraw/zinc/93/89/21/942938921.db2.gz FGIKMNIDHOJIAO-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c[nH]c(=O)[nH]c1=O ZINC001231707825 942988138 /nfs/dbraw/zinc/98/81/38/942988138.db2.gz BUWQAKKSFXEWMG-UHFFFAOYSA-N 0 3 275.308 1.616 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c[nH]c(=O)[nH]c1=O ZINC001231707825 942988143 /nfs/dbraw/zinc/98/81/43/942988143.db2.gz BUWQAKKSFXEWMG-UHFFFAOYSA-N 0 3 275.308 1.616 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@@H]2C[C@H]1CN2C ZINC001231855608 943031382 /nfs/dbraw/zinc/03/13/82/943031382.db2.gz WYNSPLNNGIGADM-GJZGRUSLSA-N 0 3 275.396 1.650 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(O)c(O)cc2O)C1 ZINC001233483413 943592402 /nfs/dbraw/zinc/59/24/02/943592402.db2.gz YPCATUCXHOSPDX-NXEZZACHSA-N 0 3 295.335 1.577 20 10 CDCDHN Oc1cc(O)c(CN2CC(N3CCCC3)C2)cc1O ZINC001233485146 943592612 /nfs/dbraw/zinc/59/26/12/943592612.db2.gz KPHXRNWYYYEDHP-UHFFFAOYSA-N 0 3 264.325 1.083 20 10 CDCDHN CN1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949282 943699409 /nfs/dbraw/zinc/69/94/09/943699409.db2.gz CBBYGLHFILNYAP-UHFFFAOYSA-N 0 3 275.308 1.514 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)cc1Cl ZINC001236171501 944422303 /nfs/dbraw/zinc/42/23/03/944422303.db2.gz BRDWVIKVPGQMTA-SECBINFHSA-N 0 3 256.733 1.587 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H]1[NH3+] ZINC001236362875 944484455 /nfs/dbraw/zinc/48/44/55/944484455.db2.gz ZMQVNMRMPLIMPZ-CMPLNLGQSA-N 0 3 298.770 1.286 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236806938 944574245 /nfs/dbraw/zinc/57/42/45/944574245.db2.gz CWGUNEBZRYXCFI-HZPDHXFCSA-N 0 3 295.379 1.274 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001236806938 944574254 /nfs/dbraw/zinc/57/42/54/944574254.db2.gz CWGUNEBZRYXCFI-HZPDHXFCSA-N 0 3 295.379 1.274 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1[O-] ZINC001237681408 944922610 /nfs/dbraw/zinc/92/26/10/944922610.db2.gz PEONFTIKHJEVQA-ZFWWWQNUSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1[O-] ZINC001237681408 944922617 /nfs/dbraw/zinc/92/26/17/944922617.db2.gz PEONFTIKHJEVQA-ZFWWWQNUSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001238064097 945045862 /nfs/dbraw/zinc/04/58/62/945045862.db2.gz NWONBCBEJRQBPK-OAHLLOKOSA-N 0 3 278.327 1.552 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001238064097 945045869 /nfs/dbraw/zinc/04/58/69/945045869.db2.gz NWONBCBEJRQBPK-OAHLLOKOSA-N 0 3 278.327 1.552 20 10 CDCDHN Cn1ccc(-c2cnccc2N2CCOCC2)cc1=O ZINC001240988942 946132399 /nfs/dbraw/zinc/13/23/99/946132399.db2.gz LDGNAVRSSXNDNY-UHFFFAOYSA-N 0 3 271.320 1.284 20 10 CDCDHN COC(=O)[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001252442496 951278665 /nfs/dbraw/zinc/27/86/65/951278665.db2.gz TVZXVMMYINMJAQ-AWEZNQCLSA-N 0 3 275.304 1.169 20 10 CDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N)cc1 ZINC001337070859 960912531 /nfs/dbraw/zinc/91/25/31/960912531.db2.gz YHOWLGVGKILBPY-WDEREUQCSA-N 0 3 262.357 1.161 20 10 CDCDHN COc1cc(C)cc(CNCC(=O)NC2CCCC2)c1O ZINC001338236494 961704233 /nfs/dbraw/zinc/70/42/33/961704233.db2.gz YIPMKJXGZWNBBT-UHFFFAOYSA-N 0 3 292.379 1.858 20 10 CDCDHN CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001344109545 964235233 /nfs/dbraw/zinc/23/52/33/964235233.db2.gz LZPQRCFBLBTJHV-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001344109545 964235242 /nfs/dbraw/zinc/23/52/42/964235242.db2.gz LZPQRCFBLBTJHV-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262563 994554920 /nfs/dbraw/zinc/55/49/20/994554920.db2.gz SURWCSURDBQFAG-JTQLQIEISA-N 0 3 278.352 1.870 20 10 CDCDHN C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265160 994570643 /nfs/dbraw/zinc/57/06/43/994570643.db2.gz QJUFFIAEPOCEMI-QWRGUYRKSA-N 0 3 278.352 1.741 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483612 342429090 /nfs/dbraw/zinc/42/90/90/342429090.db2.gz LDUNBEABWGCGJP-CALCHBBNSA-N 0 3 285.343 1.597 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483612 342429091 /nfs/dbraw/zinc/42/90/91/342429091.db2.gz LDUNBEABWGCGJP-CALCHBBNSA-N 0 3 285.343 1.597 20 10 CDCDHN COc1ccc(O)c(CN(C)CCNC(=O)C(C)C)c1 ZINC000180797633 357289192 /nfs/dbraw/zinc/28/91/92/357289192.db2.gz LUCHZXZRDNTJDT-UHFFFAOYSA-N 0 3 280.368 1.605 20 10 CDCDHN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000185364213 357536890 /nfs/dbraw/zinc/53/68/90/357536890.db2.gz MHWWTYPFBQYYNT-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187041866 357720569 /nfs/dbraw/zinc/72/05/69/357720569.db2.gz PKSDQSMLVISTKE-LBPRGKRZSA-N 0 3 292.379 1.948 20 10 CDCDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187041866 357720572 /nfs/dbraw/zinc/72/05/72/357720572.db2.gz PKSDQSMLVISTKE-LBPRGKRZSA-N 0 3 292.379 1.948 20 10 CDCDHN Cc1cccc(CN2CCO[C@]3(CCOC3)C2)c1O ZINC000187535984 357776795 /nfs/dbraw/zinc/77/67/95/357776795.db2.gz QXDQDJBZMJELLW-OAHLLOKOSA-N 0 3 263.337 1.692 20 10 CDCDHN COc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000020120645 358329600 /nfs/dbraw/zinc/32/96/00/358329600.db2.gz FVJOIKZCIJSFBO-UHFFFAOYSA-N 0 3 294.395 1.601 20 10 CDCDHN CCN(CC)c1ccc(CN2CCOC[C@H](O)C2)cc1 ZINC000294884588 199231825 /nfs/dbraw/zinc/23/18/25/199231825.db2.gz VXOXKZUBIAEISK-MRXNPFEDSA-N 0 3 278.396 1.726 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1[O-] ZINC000530227802 361497279 /nfs/dbraw/zinc/49/72/79/361497279.db2.gz VWEMXEUIVAHANG-YPMHNXCESA-N 0 3 250.342 1.421 20 10 CDCDHN CCOc1cccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c1[O-] ZINC000271265158 364979566 /nfs/dbraw/zinc/97/95/66/364979566.db2.gz IEENQVKFWGZWJY-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1cccc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)c1[O-] ZINC000271265158 364979571 /nfs/dbraw/zinc/97/95/71/364979571.db2.gz IEENQVKFWGZWJY-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000272884097 365431373 /nfs/dbraw/zinc/43/13/73/365431373.db2.gz RHCJALKCYNNSAO-ZDUSSCGKSA-N 0 3 291.395 1.207 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NCCF ZINC000282437423 367885115 /nfs/dbraw/zinc/88/51/15/367885115.db2.gz DOZMPDXZSPDZCP-RKDXNWHRSA-N 0 3 272.295 1.656 20 10 CDCDHN CCN[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638132990 368533696 /nfs/dbraw/zinc/53/36/96/368533696.db2.gz POLAPTCNQBSWAL-LLVKDONJSA-N 0 3 277.368 1.476 20 10 CDCDHN O=C1NCCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295836056 371398707 /nfs/dbraw/zinc/39/87/07/371398707.db2.gz FIIYROLPKQOHOW-NWDGAFQWSA-N 0 3 260.337 1.638 20 10 CDCDHN Cn1ncc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000297433343 371991079 /nfs/dbraw/zinc/99/10/79/371991079.db2.gz VNOHNGLLGONNJS-CYBMUJFWSA-N 0 3 272.352 1.730 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@@H]2CCCCNC2=O)c1 ZINC000123965055 374743857 /nfs/dbraw/zinc/74/38/57/374743857.db2.gz BXQILSBSCLRYQV-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293541722 378573768 /nfs/dbraw/zinc/57/37/68/378573768.db2.gz CVQXXUGAURGAKX-CQSZACIVSA-N 0 3 288.351 1.313 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293541722 378573770 /nfs/dbraw/zinc/57/37/70/378573770.db2.gz CVQXXUGAURGAKX-CQSZACIVSA-N 0 3 288.351 1.313 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000373737050 391129138 /nfs/dbraw/zinc/12/91/38/391129138.db2.gz FOQAKHQTPPZLJT-NUEKZKHPSA-N 0 3 287.407 1.838 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000097928363 391237812 /nfs/dbraw/zinc/23/78/12/391237812.db2.gz RWLIEABCWAZPKE-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN COCCOC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179581589 391213266 /nfs/dbraw/zinc/21/32/66/391213266.db2.gz KYKXWYDOUNANRO-ZDUSSCGKSA-N 0 3 265.353 1.877 20 10 CDCDHN COCCOC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179581589 391213269 /nfs/dbraw/zinc/21/32/69/391213269.db2.gz KYKXWYDOUNANRO-ZDUSSCGKSA-N 0 3 265.353 1.877 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000183378996 391263521 /nfs/dbraw/zinc/26/35/21/391263521.db2.gz FCEKHJUVPOAVCC-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000183378996 391263528 /nfs/dbraw/zinc/26/35/28/391263528.db2.gz FCEKHJUVPOAVCC-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1[O-] ZINC000183612578 391266810 /nfs/dbraw/zinc/26/68/10/391266810.db2.gz OKKYUXLJKHUMCY-LLVKDONJSA-N 0 3 287.381 1.104 20 10 CDCDHN COc1cccc(C[NH2+]CCCn2ccnc2)c1[O-] ZINC000020506272 171228560 /nfs/dbraw/zinc/22/85/60/171228560.db2.gz OIUZTMVUWZFFAY-UHFFFAOYSA-N 0 3 261.325 1.777 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000154585662 261093422 /nfs/dbraw/zinc/09/34/22/261093422.db2.gz YCHDTGFHNOVNNA-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000154585662 261093424 /nfs/dbraw/zinc/09/34/24/261093424.db2.gz YCHDTGFHNOVNNA-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1C ZINC000278566668 263049121 /nfs/dbraw/zinc/04/91/21/263049121.db2.gz DCMAWTIOJARLPY-IUODEOHRSA-N 0 3 265.353 1.639 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000292770317 263134833 /nfs/dbraw/zinc/13/48/33/263134833.db2.gz KLPAVGQDZNGDHA-JQWIXIFHSA-N 0 3 281.352 1.755 20 10 CDCDHN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)ccc1[O-] ZINC000293864273 263151447 /nfs/dbraw/zinc/15/14/47/263151447.db2.gz ZEDPFAZKWGIEJE-SNVBAGLBSA-N 0 3 278.331 1.943 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000377724637 329027058 /nfs/dbraw/zinc/02/70/58/329027058.db2.gz OYMFGTGIFXSMQJ-CQSZACIVSA-N 0 3 286.379 1.803 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1F ZINC000377847930 329031786 /nfs/dbraw/zinc/03/17/86/329031786.db2.gz RNSFWLQNYALKCM-GFCCVEGCSA-N 0 3 279.359 1.589 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378452024 329050966 /nfs/dbraw/zinc/05/09/66/329050966.db2.gz FYQFHEABFRCLSC-XJKSGUPXSA-N 0 3 293.363 1.829 20 10 CDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCCC2)cc1 ZINC000135712482 334136979 /nfs/dbraw/zinc/13/69/79/334136979.db2.gz ASTXAFRMCOQHMO-LBPRGKRZSA-N 0 3 261.369 1.640 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC1(O)CCC1 ZINC000790638290 1162164039 /nfs/dbraw/zinc/16/40/39/1162164039.db2.gz YGFVDRQWHJLCIA-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN COC[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000071266236 522421018 /nfs/dbraw/zinc/42/10/18/522421018.db2.gz YKEZBUIQKFKOPE-INIZCTEOSA-N 0 3 278.396 1.774 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H](OC)[C@@H](OC)C2)cc1OC ZINC000276815098 522776658 /nfs/dbraw/zinc/77/66/58/522776658.db2.gz FHQMDAUIRRYFKG-GASCZTMLSA-N 0 3 297.351 1.255 20 10 CDCDHN C[C@@H](NCCOCCO)c1ccc(N(C)C)cc1 ZINC000037239922 525453136 /nfs/dbraw/zinc/45/31/36/525453136.db2.gz YNWAPLWXMJABFH-GFCCVEGCSA-N 0 3 252.358 1.412 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)CCN(C)C)c1[O-] ZINC000049553127 526030182 /nfs/dbraw/zinc/03/01/82/526030182.db2.gz CNTJOOXCPUZCIJ-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN COc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278544503 526041772 /nfs/dbraw/zinc/04/17/72/526041772.db2.gz YAGQELGBCMYQOO-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCc1cnccn1 ZINC000774834299 575244888 /nfs/dbraw/zinc/24/48/88/575244888.db2.gz YJQDTHINSNFEGN-UHFFFAOYSA-N 0 3 259.309 1.523 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000769524590 575356668 /nfs/dbraw/zinc/35/66/68/575356668.db2.gz PHWVLTDUHGTKBG-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000769524590 575356670 /nfs/dbraw/zinc/35/66/70/575356670.db2.gz PHWVLTDUHGTKBG-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000771641411 575599826 /nfs/dbraw/zinc/59/98/26/575599826.db2.gz LFTJCPARKPDKEQ-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN CCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000771641411 575599829 /nfs/dbraw/zinc/59/98/29/575599829.db2.gz LFTJCPARKPDKEQ-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)C(C)C)c([O-])c1 ZINC000768176069 576262705 /nfs/dbraw/zinc/26/27/05/576262705.db2.gz YPEBKHQWLYXFHA-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)C(C)C)c([O-])c1 ZINC000768176069 576262707 /nfs/dbraw/zinc/26/27/07/576262707.db2.gz YPEBKHQWLYXFHA-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446218 576283905 /nfs/dbraw/zinc/28/39/05/576283905.db2.gz LCXPKFKSIRWELT-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446218 576283909 /nfs/dbraw/zinc/28/39/09/576283909.db2.gz LCXPKFKSIRWELT-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1[O-] ZINC000768841713 576312369 /nfs/dbraw/zinc/31/23/69/576312369.db2.gz NGTFPJNTGMCOAA-LBPRGKRZSA-N 0 3 291.347 1.935 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2COCCO2)cc1C ZINC000742367595 576597811 /nfs/dbraw/zinc/59/78/11/576597811.db2.gz FIERKFFOUSMLDE-ZDUSSCGKSA-N 0 3 251.326 1.514 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1 ZINC000757926779 577061518 /nfs/dbraw/zinc/06/15/18/577061518.db2.gz OMKJAPLUBCTYEY-INIZCTEOSA-N 0 3 294.395 1.810 20 10 CDCDHN OCc1cnccc1NCc1ccc(N2CCOCC2)cc1 ZINC000891968052 617902685 /nfs/dbraw/zinc/90/26/85/617902685.db2.gz ULODZHIYBNPJDJ-UHFFFAOYSA-N 0 3 299.374 1.445 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840976435 617976755 /nfs/dbraw/zinc/97/67/55/617976755.db2.gz BWKGEKGSEXZCND-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840976435 617976762 /nfs/dbraw/zinc/97/67/62/617976762.db2.gz BWKGEKGSEXZCND-AAEUAGOBSA-N 0 3 265.353 1.994 20 10 CDCDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000922589373 618275378 /nfs/dbraw/zinc/27/53/78/618275378.db2.gz KDWHJTWCSPAISE-CQSZACIVSA-N 0 3 264.369 1.593 20 10 CDCDHN CCc1nc(CNCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894867989 619110043 /nfs/dbraw/zinc/11/00/43/619110043.db2.gz OVDPBHBXJBACHG-UHFFFAOYSA-N 0 3 276.340 1.680 20 10 CDCDHN CN(C)CCn1nccc1C(=O)NCc1ccccc1O ZINC000901125769 623882169 /nfs/dbraw/zinc/88/21/69/623882169.db2.gz YKNYPDXASHQYOO-UHFFFAOYSA-N 0 3 288.351 1.080 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000903227735 625925621 /nfs/dbraw/zinc/92/56/21/625925621.db2.gz NLXCXFGNWYECMZ-AWEZNQCLSA-N 0 3 276.380 1.691 20 10 CDCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000921814465 633317234 /nfs/dbraw/zinc/31/72/34/633317234.db2.gz BDNRRRNLFBSRCY-LLVKDONJSA-N 0 3 262.353 1.578 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000793384915 1162417362 /nfs/dbraw/zinc/41/73/62/1162417362.db2.gz PUWMLVAZQWWYAC-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000793384915 1162417363 /nfs/dbraw/zinc/41/73/63/1162417363.db2.gz PUWMLVAZQWWYAC-AWEZNQCLSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc(CNCc2ccc(CO)o2)c(O)c1 ZINC000793386552 1162417672 /nfs/dbraw/zinc/41/76/72/1162417672.db2.gz WKPACXTUHMGNMM-UHFFFAOYSA-N 0 3 263.293 1.776 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001170520706 1162743137 /nfs/dbraw/zinc/74/31/37/1162743137.db2.gz VCHLXPBEUXIEAW-KOLCDFICSA-N 0 3 265.309 1.529 20 10 CDCDHN C[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000037187848 1165762346 /nfs/dbraw/zinc/76/23/46/1165762346.db2.gz HEJFYWYWQDZLSC-WCQYABFASA-N 0 3 282.409 1.590 20 10 CDCDHN CCCC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823787 1165796953 /nfs/dbraw/zinc/79/69/53/1165796953.db2.gz GIMRLVPEKWNMPQ-LBPRGKRZSA-N 0 3 250.342 1.868 20 10 CDCDHN COCCOC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877066363 1165968919 /nfs/dbraw/zinc/96/89/19/1165968919.db2.gz KCSMFDHJGKIDOJ-GFCCVEGCSA-N 0 3 253.342 1.842 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(CO)CCOCC2)c([O-])c1 ZINC000877116543 1165979528 /nfs/dbraw/zinc/97/95/28/1165979528.db2.gz PWMOCDBXVIWHPR-UHFFFAOYSA-N 0 3 265.353 1.579 20 10 CDCDHN COC[C@@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC000234876480 1178228440 /nfs/dbraw/zinc/22/84/40/1178228440.db2.gz HRPMZVMVWVSBHL-CQSZACIVSA-N 0 3 264.369 1.384 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1 ZINC000876930228 1165941034 /nfs/dbraw/zinc/94/10/34/1165941034.db2.gz UKYODDHFMUQCSJ-UHFFFAOYSA-N 0 3 278.352 1.072 20 10 CDCDHN COc1cc(CN2CC[C@H](NC(C)=O)C2)c(O)cc1C ZINC000817367091 783860518 /nfs/dbraw/zinc/86/05/18/783860518.db2.gz BDJPDUNWMSVRAD-ZDUSSCGKSA-N 0 3 278.352 1.420 20 10 CDCDHN CN(C(=O)CNC[C@@H]1CCCO1)c1ccc(N)cc1 ZINC000877078734 783878560 /nfs/dbraw/zinc/87/85/60/783878560.db2.gz BWWUAPSCBDJGKC-ZDUSSCGKSA-N 0 3 263.341 1.000 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000877478141 784362064 /nfs/dbraw/zinc/36/20/64/784362064.db2.gz BMPJCNIPDPGOGB-UHFFFAOYSA-N 0 3 276.380 1.655 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000809785510 784853604 /nfs/dbraw/zinc/85/36/04/784853604.db2.gz VLASNEUFDCWKAR-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000809785510 784853607 /nfs/dbraw/zinc/85/36/07/784853607.db2.gz VLASNEUFDCWKAR-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843355822 785195173 /nfs/dbraw/zinc/19/51/73/785195173.db2.gz KAIJUPWUNOOGLS-OTYXRUKQSA-N 0 3 296.342 1.282 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005792 785880970 /nfs/dbraw/zinc/88/09/70/785880970.db2.gz YJZUAYDAUKSXQA-CQSZACIVSA-N 0 3 261.369 1.640 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000866498577 785889114 /nfs/dbraw/zinc/88/91/14/785889114.db2.gz ZWPFGXVJYKYULQ-SASUGWTJSA-N 0 3 281.327 1.819 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(F)cc1[O-] ZINC000817946465 785961900 /nfs/dbraw/zinc/96/19/00/785961900.db2.gz XWEZIUIFKQRBEL-CYBMUJFWSA-N 0 3 295.358 1.004 20 10 CDCDHN C[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266755 786340145 /nfs/dbraw/zinc/34/01/45/786340145.db2.gz BJCUXMSMLAKBHU-GXTWGEPZSA-N 0 3 294.370 1.617 20 10 CDCDHN CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368283 786381073 /nfs/dbraw/zinc/38/10/73/786381073.db2.gz NMCHUXMYIMBJKM-LBPRGKRZSA-N 0 3 289.339 1.673 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000922576214 787057243 /nfs/dbraw/zinc/05/72/43/787057243.db2.gz YNBFITONGKMISR-GFCCVEGCSA-N 0 3 250.342 1.585 20 10 CDCDHN COc1cccc(O)c1CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000858282238 787070346 /nfs/dbraw/zinc/07/03/46/787070346.db2.gz VEYFNSBDLQLOBY-MWLCHTKSSA-N 0 3 285.365 1.066 20 10 CDCDHN COCC1(C)CN(Cc2c(O)cccc2OC)C1 ZINC000839145008 787702336 /nfs/dbraw/zinc/70/23/36/787702336.db2.gz FQEMBXWPRSCUSE-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000226582909 787834930 /nfs/dbraw/zinc/83/49/30/787834930.db2.gz MDKDOBHNGRBSJN-UHFFFAOYSA-N 0 3 286.310 1.906 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000136822928 787839220 /nfs/dbraw/zinc/83/92/20/787839220.db2.gz CLSYDXPEKMBVTP-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000136822928 787839221 /nfs/dbraw/zinc/83/92/21/787839221.db2.gz CLSYDXPEKMBVTP-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN Cc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c([O-])c1 ZINC000877481940 787898461 /nfs/dbraw/zinc/89/84/61/787898461.db2.gz YBFCQAZYOVKLCE-AWEZNQCLSA-N 0 3 251.326 1.332 20 10 CDCDHN NC(=O)c1csc(CNCc2ccccc2O)c1 ZINC000133948667 788040594 /nfs/dbraw/zinc/04/05/94/788040594.db2.gz JENYMJPULNPJHA-UHFFFAOYSA-N 0 3 262.334 1.842 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929973202 788388119 /nfs/dbraw/zinc/38/81/19/788388119.db2.gz YBWUEGKAIHMRKU-BJJXKVORSA-N 0 3 295.379 1.115 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929973202 788388127 /nfs/dbraw/zinc/38/81/27/788388127.db2.gz YBWUEGKAIHMRKU-BJJXKVORSA-N 0 3 295.379 1.115 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000877629563 788643803 /nfs/dbraw/zinc/64/38/03/788643803.db2.gz VRHYTCKAYJNADX-TZMCWYRMSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000877629563 788643817 /nfs/dbraw/zinc/64/38/17/788643817.db2.gz VRHYTCKAYJNADX-TZMCWYRMSA-N 0 3 274.364 1.801 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCOCCO)C1CCC1 ZINC000827204599 788811800 /nfs/dbraw/zinc/81/18/00/788811800.db2.gz ZDNZTKFHHPKXKC-UHFFFAOYSA-N 0 3 283.343 1.895 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000827204599 788811802 /nfs/dbraw/zinc/81/18/02/788811802.db2.gz ZDNZTKFHHPKXKC-UHFFFAOYSA-N 0 3 283.343 1.895 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@]2(C)CCC(=O)N2)cc1F ZINC000858175804 788863346 /nfs/dbraw/zinc/86/33/46/788863346.db2.gz WMXGTOKGLRSSOG-HNNXBMFYSA-N 0 3 297.349 1.789 20 10 CDCDHN C[C@H]([NH3+])[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132621825 789011806 /nfs/dbraw/zinc/01/18/06/789011806.db2.gz SQSAXGSSPIDUBF-TVQRCGJNSA-N 0 3 270.760 1.594 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])C[NH+]1CCCCC1 ZINC000186986309 789379118 /nfs/dbraw/zinc/37/91/18/789379118.db2.gz XXWWRACXLZVFHE-LBPRGKRZSA-N 0 3 292.379 1.950 20 10 CDCDHN Cc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O ZINC000827120749 789414141 /nfs/dbraw/zinc/41/41/41/789414141.db2.gz VOZVVKLDWZTUKW-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN CC1([NH+]2CCC2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000882507572 789804659 /nfs/dbraw/zinc/80/46/59/789804659.db2.gz MKQVUKNHGAAQRX-UHFFFAOYSA-N 0 3 290.363 1.798 20 10 CDCDHN CCCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C)C1 ZINC000843990981 789836649 /nfs/dbraw/zinc/83/66/49/789836649.db2.gz ZTIGHPUIVUQESI-NSHDSACASA-N 0 3 278.352 1.654 20 10 CDCDHN CC[C@H](N)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001578231158 1167684332 /nfs/dbraw/zinc/68/43/32/1167684332.db2.gz HOJMJDJJRHEFBC-WFASDCNBSA-N 0 3 277.412 1.846 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764623 912819544 /nfs/dbraw/zinc/81/95/44/912819544.db2.gz BHICFLCJIAJQNR-KGLIPLIRSA-N 0 3 299.378 1.921 20 10 CDCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764623 912819563 /nfs/dbraw/zinc/81/95/63/912819563.db2.gz BHICFLCJIAJQNR-KGLIPLIRSA-N 0 3 299.378 1.921 20 10 CDCDHN Cc1ccc(C)c(CN2CCN(C3COC3)CC2)c1O ZINC001140178810 895200033 /nfs/dbraw/zinc/20/00/33/895200033.db2.gz YCXASGCQZNFNIW-UHFFFAOYSA-N 0 3 276.380 1.525 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236284184 914852173 /nfs/dbraw/zinc/85/21/73/914852173.db2.gz BAUHWZQBTLGMNL-MWLCHTKSSA-N 0 3 268.744 1.458 20 10 CDCDHN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccccc1[O-] ZINC000323032894 909042286 /nfs/dbraw/zinc/04/22/86/909042286.db2.gz MSXRYVBJQAFVHM-PWSUYJOCSA-N 0 3 250.342 1.958 20 10 CDCDHN CN1CCC[C@](C)(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182157502 917694998 /nfs/dbraw/zinc/69/49/98/917694998.db2.gz SDCWYNMWDFJCHS-INIZCTEOSA-N 0 3 292.379 1.631 20 10 CDCDHN CN1CCN(c2ccc(CN3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139410945 936617988 /nfs/dbraw/zinc/61/79/88/936617988.db2.gz NBWRITQKURFQRG-DLBZAZTESA-N 0 3 287.407 1.412 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140054227 936674471 /nfs/dbraw/zinc/67/44/71/936674471.db2.gz MOMNTMOJKVEAGT-CHWSQXEVSA-N 0 3 278.327 1.726 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140054227 936674472 /nfs/dbraw/zinc/67/44/72/936674472.db2.gz MOMNTMOJKVEAGT-CHWSQXEVSA-N 0 3 278.327 1.726 20 10 CDCDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(O)c(O)c1 ZINC001169443469 928035670 /nfs/dbraw/zinc/03/56/70/928035670.db2.gz HAVZYDXBYZBTTP-NSHDSACASA-N 0 3 280.368 1.834 20 10 CDCDHN CNCc1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001169990701 928859723 /nfs/dbraw/zinc/85/97/23/928859723.db2.gz LXQNHXFNWMZRNV-UHFFFAOYSA-N 0 3 260.297 1.219 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CC1CC1 ZINC000884223238 930488472 /nfs/dbraw/zinc/48/84/72/930488472.db2.gz LKYPFXXEFDKRKI-HNNXBMFYSA-N 0 3 275.396 1.805 20 10 CDCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C(N)=O)c1[O-] ZINC000134416076 930557253 /nfs/dbraw/zinc/55/72/53/930557253.db2.gz BSETUDMGRJBJPT-SSDOTTSWSA-N 0 3 287.157 1.427 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCCN2)c1 ZINC000817949686 930644540 /nfs/dbraw/zinc/64/45/40/930644540.db2.gz MIWYUKGWTWESNZ-AAEUAGOBSA-N 0 3 292.379 1.972 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949686 930644545 /nfs/dbraw/zinc/64/45/45/930644545.db2.gz MIWYUKGWTWESNZ-AAEUAGOBSA-N 0 3 292.379 1.972 20 10 CDCDHN CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219374 932670538 /nfs/dbraw/zinc/67/05/38/932670538.db2.gz ZRTFUEOVFKZLPB-LLVKDONJSA-N 0 3 278.352 1.653 20 10 CDCDHN CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219374 932670543 /nfs/dbraw/zinc/67/05/43/932670543.db2.gz ZRTFUEOVFKZLPB-LLVKDONJSA-N 0 3 278.352 1.653 20 10 CDCDHN COC(=O)[C@H]1COCCC12CN(Cc1ccccc1O)C2 ZINC001203558631 939693097 /nfs/dbraw/zinc/69/30/97/939693097.db2.gz RCMUYWTUVNWFLM-CYBMUJFWSA-N 0 3 291.347 1.404 20 10 CDCDHN COc1cccc(CN2CC(N3CCCC3)C2)c1O ZINC001203595498 939694948 /nfs/dbraw/zinc/69/49/48/939694948.db2.gz FFCDCRHHFZNHAJ-UHFFFAOYSA-N 0 3 262.353 1.681 20 10 CDCDHN COc1cccc(CN(C)CC(OC)OC)c1O ZINC001203596838 939695267 /nfs/dbraw/zinc/69/52/67/939695267.db2.gz OGOQTJBLIZMVCS-UHFFFAOYSA-N 0 3 255.314 1.452 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001203622057 939697016 /nfs/dbraw/zinc/69/70/16/939697016.db2.gz MXCDSGPODPHJOQ-MRXNPFEDSA-N 0 3 290.363 1.503 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001203622057 939697018 /nfs/dbraw/zinc/69/70/18/939697018.db2.gz MXCDSGPODPHJOQ-MRXNPFEDSA-N 0 3 290.363 1.503 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001203621000 939697329 /nfs/dbraw/zinc/69/73/29/939697329.db2.gz MYPAGMQTSLQAHH-CHWSQXEVSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001203621000 939697330 /nfs/dbraw/zinc/69/73/30/939697330.db2.gz MYPAGMQTSLQAHH-CHWSQXEVSA-N 0 3 269.316 1.696 20 10 CDCDHN CC(=O)N1CCC[C@H](N(C)Cc2ccc(O)c(O)c2)C1 ZINC001203881718 939711369 /nfs/dbraw/zinc/71/13/69/939711369.db2.gz UFBMABKBWQKWKT-ZDUSSCGKSA-N 0 3 278.352 1.541 20 10 CDCDHN CN1C(=O)CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277236 939751291 /nfs/dbraw/zinc/75/12/91/939751291.db2.gz AAPBEEUDGOZIEN-UHFFFAOYSA-N 0 3 290.363 1.685 20 10 CDCDHN [NH3+][C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205110515 939824103 /nfs/dbraw/zinc/82/41/03/939824103.db2.gz UQNHELRQLYZKAM-LBPRGKRZSA-N 0 3 264.325 1.404 20 10 CDCDHN [NH3+][C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205110515 939824106 /nfs/dbraw/zinc/82/41/06/939824106.db2.gz UQNHELRQLYZKAM-LBPRGKRZSA-N 0 3 264.325 1.404 20 10 CDCDHN NC[C@]1(F)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001206361665 940026733 /nfs/dbraw/zinc/02/67/33/940026733.db2.gz JRPNBULZWNSENG-OAHLLOKOSA-N 0 3 296.342 1.743 20 10 CDCDHN NC[C@]1(F)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001206361665 940026738 /nfs/dbraw/zinc/02/67/38/940026738.db2.gz JRPNBULZWNSENG-OAHLLOKOSA-N 0 3 296.342 1.743 20 10 CDCDHN Cc1cccc(CN2CCC(F)(F)[C@H](N)C2)c1O ZINC001206674574 940076836 /nfs/dbraw/zinc/07/68/36/940076836.db2.gz DTIRZMANEIQVSR-LLVKDONJSA-N 0 3 256.296 1.869 20 10 CDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277446042 942585912 /nfs/dbraw/zinc/58/59/12/942585912.db2.gz LIBHDTAMGVHQMV-RHSMWYFYSA-N 0 3 284.359 1.613 20 10 CDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277446042 942585916 /nfs/dbraw/zinc/58/59/16/942585916.db2.gz LIBHDTAMGVHQMV-RHSMWYFYSA-N 0 3 284.359 1.613 20 10 CDCDHN COc1cc(CN2CC[C@@H](C(C)=O)C2)c(O)cc1O ZINC001231638869 942954275 /nfs/dbraw/zinc/95/42/75/942954275.db2.gz HOJXIMKXZKBDOG-SNVBAGLBSA-N 0 3 265.309 1.517 20 10 CDCDHN CC(=O)N1CCC(N(C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011484 943462201 /nfs/dbraw/zinc/46/22/01/943462201.db2.gz AOVKZALOHNYFQS-UHFFFAOYSA-N 0 3 294.351 1.246 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@H]3CCCO[C@@H]3C2)cc1O ZINC001233482771 943591551 /nfs/dbraw/zinc/59/15/51/943591551.db2.gz BLLBUZSCGYUSJZ-MEBBXXQBSA-N 0 3 279.336 1.804 20 10 CDCDHN CN1CCN(Cc2cc(O)c(O)cc2O)CC1(C)C ZINC001233486406 943593890 /nfs/dbraw/zinc/59/38/90/943593890.db2.gz MAGSDHBAINGCAV-UHFFFAOYSA-N 0 3 266.341 1.329 20 10 CDCDHN O=C1OCCC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233487076 943595953 /nfs/dbraw/zinc/59/59/53/943595953.db2.gz OFPVXLBMJOBATJ-UHFFFAOYSA-N 0 3 293.319 1.333 20 10 CDCDHN CCc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC001236783681 944566992 /nfs/dbraw/zinc/56/69/92/944566992.db2.gz OECCWFXHHGUJJQ-ZDUSSCGKSA-N 0 3 262.353 1.652 20 10 CDCDHN CCc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC001236783681 944566995 /nfs/dbraw/zinc/56/69/95/944566995.db2.gz OECCWFXHHGUJJQ-ZDUSSCGKSA-N 0 3 262.353 1.652 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001236819089 944581351 /nfs/dbraw/zinc/58/13/51/944581351.db2.gz SRNOFPWTKZGMTE-LBPRGKRZSA-N 0 3 265.353 1.914 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001236819089 944581358 /nfs/dbraw/zinc/58/13/58/944581358.db2.gz SRNOFPWTKZGMTE-LBPRGKRZSA-N 0 3 265.353 1.914 20 10 CDCDHN Cc1cc(F)cc(CN2CCOC[C@](C)(O)C2)c1O ZINC001238059268 945044192 /nfs/dbraw/zinc/04/41/92/945044192.db2.gz BIQJCCJKASECQG-CQSZACIVSA-N 0 3 269.316 1.423 20 10 CDCDHN Cc1cc(F)cc(CN2CCC(NC(N)=O)CC2)c1O ZINC001238058677 945044549 /nfs/dbraw/zinc/04/45/49/945044549.db2.gz UTFDEKUACIGVGZ-UHFFFAOYSA-N 0 3 281.331 1.472 20 10 CDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CN1 ZINC001246240983 948049638 /nfs/dbraw/zinc/04/96/38/948049638.db2.gz UGSJHXOXMZSMEI-WZRBSPASSA-N 0 3 278.352 1.336 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC001249177580 949438835 /nfs/dbraw/zinc/43/88/35/949438835.db2.gz FAAZYCXITFGIOM-UHFFFAOYSA-N 0 3 293.363 1.312 20 10 CDCDHN CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001341124393 963284118 /nfs/dbraw/zinc/28/41/18/963284118.db2.gz PIAJREWCUVQPSS-SNVBAGLBSA-N 0 3 266.316 1.393 20 10 CDCDHN C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257567 994531931 /nfs/dbraw/zinc/53/19/31/994531931.db2.gz QCQCPYXGAYKMRA-JTQLQIEISA-N 0 3 278.352 1.741 20 10 CDCDHN CC(C)(CO)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294666764 363087084 /nfs/dbraw/zinc/08/70/84/363087084.db2.gz AOOJBNGAEOFNPJ-UHFFFAOYSA-N 0 3 267.325 1.619 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000112717348 366125845 /nfs/dbraw/zinc/12/58/45/366125845.db2.gz GGNHAHLIWJWJLM-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179896644 357229156 /nfs/dbraw/zinc/22/91/56/357229156.db2.gz DLPAVMDOTKBKPB-JTQLQIEISA-N 0 3 267.300 1.916 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179896644 357229162 /nfs/dbraw/zinc/22/91/62/357229162.db2.gz DLPAVMDOTKBKPB-JTQLQIEISA-N 0 3 267.300 1.916 20 10 CDCDHN COC[C@@H]1CN(Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000188368082 357886617 /nfs/dbraw/zinc/88/66/17/357886617.db2.gz BNYHKNSPFAAVGT-JSGCOSHPSA-N 0 3 265.353 1.936 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000294775166 199176926 /nfs/dbraw/zinc/17/69/26/199176926.db2.gz GHTSTOSKCVPJOS-GFCCVEGCSA-N 0 3 294.395 1.508 20 10 CDCDHN CC(C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000269046861 364129350 /nfs/dbraw/zinc/12/93/50/364129350.db2.gz NSJPBCXYLAQZGM-CYBMUJFWSA-N 0 3 253.342 1.610 20 10 CDCDHN CC(C)OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000269046861 364129352 /nfs/dbraw/zinc/12/93/52/364129352.db2.gz NSJPBCXYLAQZGM-CYBMUJFWSA-N 0 3 253.342 1.610 20 10 CDCDHN C[C@@H](C[S@@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000168150205 364136347 /nfs/dbraw/zinc/13/63/47/364136347.db2.gz FTBMVDZBDRUYNW-BTDLBPIBSA-N 0 3 253.367 1.478 20 10 CDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CO)CC2)c1 ZINC000271040893 364886863 /nfs/dbraw/zinc/88/68/63/364886863.db2.gz MNSNOCDGTSCZFG-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN COC(=O)CC1([NH2+]Cc2cccc(C)c2[O-])CCOCC1 ZINC000271993094 365037562 /nfs/dbraw/zinc/03/75/62/365037562.db2.gz RNPIGIYMFILVIH-UHFFFAOYSA-N 0 3 293.363 1.903 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC23CC(C2)CO3)cc1OC ZINC000529664625 368087016 /nfs/dbraw/zinc/08/70/16/368087016.db2.gz WFFHDGQJBPONES-UHFFFAOYSA-N 0 3 279.336 1.678 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c1[O-] ZINC000093360785 390901864 /nfs/dbraw/zinc/90/18/64/390901864.db2.gz NLBNIVUYRJPOPM-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)c1[O-] ZINC000093360785 390901866 /nfs/dbraw/zinc/90/18/66/390901866.db2.gz NLBNIVUYRJPOPM-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN CNC(=O)CC1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093588343 390903498 /nfs/dbraw/zinc/90/34/98/390903498.db2.gz GCNRYGPUYJUKNH-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN CNC(=O)CC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000093588343 390903500 /nfs/dbraw/zinc/90/35/00/390903500.db2.gz GCNRYGPUYJUKNH-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN Oc1ccccc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000179578974 391212830 /nfs/dbraw/zinc/21/28/30/391212830.db2.gz GPKXGPUBMPYYPW-NSHDSACASA-N 0 3 261.243 1.891 20 10 CDCDHN CS(=O)(=O)CCCNCc1ccc2c(c1)CCO2 ZINC000038047787 174058085 /nfs/dbraw/zinc/05/80/85/174058085.db2.gz XAIZWTMUWGDGAT-UHFFFAOYSA-N 0 3 269.366 1.146 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000126499389 260352548 /nfs/dbraw/zinc/35/25/48/260352548.db2.gz DLSIPVMDNBRKSP-WDEREUQCSA-N 0 3 276.336 1.454 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000126499389 260352550 /nfs/dbraw/zinc/35/25/50/260352550.db2.gz DLSIPVMDNBRKSP-WDEREUQCSA-N 0 3 276.336 1.454 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000300416290 261199482 /nfs/dbraw/zinc/19/94/82/261199482.db2.gz OOWAKBVNYSEMQF-KBPBESRZSA-N 0 3 280.343 1.484 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183603805 261981754 /nfs/dbraw/zinc/98/17/54/261981754.db2.gz KDDVITJQDGTOOH-WDEREUQCSA-N 0 3 271.382 1.866 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@]2(CO)CCOC2)c([O-])c1 ZINC000184197376 262011986 /nfs/dbraw/zinc/01/19/86/262011986.db2.gz UWTNYOQJXHZBMB-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)OCO2 ZINC000367253545 266255843 /nfs/dbraw/zinc/25/58/43/266255843.db2.gz ULQULKXKLAKOMY-UHFFFAOYSA-N 0 3 277.320 1.876 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291682858 328265631 /nfs/dbraw/zinc/26/56/31/328265631.db2.gz XLBAUNLYTAJSBD-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291682858 328265632 /nfs/dbraw/zinc/26/56/32/328265632.db2.gz XLBAUNLYTAJSBD-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000378555493 329054652 /nfs/dbraw/zinc/05/46/52/329054652.db2.gz DFKXDSCPCCZQRU-RYUDHWBXSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([O-])c1O ZINC000378555493 329054654 /nfs/dbraw/zinc/05/46/54/329054654.db2.gz DFKXDSCPCCZQRU-RYUDHWBXSA-N 0 3 290.363 1.763 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)c1[nH]nc2c1CNCC2 ZINC000188390241 329366488 /nfs/dbraw/zinc/36/64/88/329366488.db2.gz QZCJGNSDCOCEFD-UHFFFAOYSA-N 0 3 286.335 1.033 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)ccc1[O-] ZINC000094618239 525422013 /nfs/dbraw/zinc/42/20/13/525422013.db2.gz DDGDQEYVHYGYTN-AAEUAGOBSA-N 0 3 281.375 1.428 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)NCc1ccco1 ZINC000111399118 525461374 /nfs/dbraw/zinc/46/13/74/525461374.db2.gz LAPXBNHPZAKGDB-NSHDSACASA-N 0 3 274.320 1.780 20 10 CDCDHN COc1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291277230 525932899 /nfs/dbraw/zinc/93/28/99/525932899.db2.gz OHDVDQDUEVGVRJ-LLVKDONJSA-N 0 3 287.306 1.850 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccccn1)OCO2 ZINC000042879203 526336859 /nfs/dbraw/zinc/33/68/59/526336859.db2.gz YVMNWBJNZAAPIB-UHFFFAOYSA-N 0 3 272.304 1.848 20 10 CDCDHN CO[C@@H](CNCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000733329183 575114743 /nfs/dbraw/zinc/11/47/43/575114743.db2.gz OVKJNMZHDPBSHA-NSHDSACASA-N 0 3 293.241 1.788 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768840501 575138616 /nfs/dbraw/zinc/13/86/16/575138616.db2.gz DNAVKDZYPGVMLT-LBPRGKRZSA-N 0 3 261.321 1.926 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)CSC ZINC000738440032 576074879 /nfs/dbraw/zinc/07/48/79/576074879.db2.gz KVCJUFIZDUFKJS-CYBMUJFWSA-N 0 3 271.382 1.604 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768462699 576287248 /nfs/dbraw/zinc/28/72/48/576287248.db2.gz BXVMTAOLFMAOIP-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768462699 576287250 /nfs/dbraw/zinc/28/72/50/576287250.db2.gz BXVMTAOLFMAOIP-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CC(C)(CO)CO)c([O-])c1 ZINC000769447665 576354871 /nfs/dbraw/zinc/35/48/71/576354871.db2.gz IYVDSIVGONCFQA-UHFFFAOYSA-N 0 3 283.368 1.214 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CC(C)(CO)CO)c([O-])c1 ZINC000769447665 576354872 /nfs/dbraw/zinc/35/48/72/576354872.db2.gz IYVDSIVGONCFQA-UHFFFAOYSA-N 0 3 283.368 1.214 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CC1(O)CCC1 ZINC000761220214 576560759 /nfs/dbraw/zinc/56/07/59/576560759.db2.gz WPLYZVCAMISDOU-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CC1(O)CCC1 ZINC000761220214 576560761 /nfs/dbraw/zinc/56/07/61/576560761.db2.gz WPLYZVCAMISDOU-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@@H](NC[C@H](O)C[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756551827 576995027 /nfs/dbraw/zinc/99/50/27/576995027.db2.gz AQBKVHOZUFDMMH-SCZZXKLOSA-N 0 3 274.311 1.244 20 10 CDCDHN COc1cc(C)cc(CN2CCCN(C(C)=O)CC2)c1O ZINC000893914713 618172801 /nfs/dbraw/zinc/17/28/01/618172801.db2.gz MAEXPEPCAWMBFD-UHFFFAOYSA-N 0 3 292.379 1.763 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000894184545 618671415 /nfs/dbraw/zinc/67/14/15/618671415.db2.gz BBPBOWNJYKVZTP-ZYHUDNBSSA-N 0 3 299.392 1.314 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000877489020 1166047033 /nfs/dbraw/zinc/04/70/33/1166047033.db2.gz JPMCHYNYLPWVFS-FZMZJTMJSA-N 0 3 251.326 1.330 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1CCCC1 ZINC000381235462 790282241 /nfs/dbraw/zinc/28/22/41/790282241.db2.gz YTCHNGVHVSFVAS-AAEUAGOBSA-N 0 3 274.364 1.980 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000037268363 1165762803 /nfs/dbraw/zinc/76/28/03/1165762803.db2.gz MBOXEYYBWAZYSK-ZDUSSCGKSA-N 0 3 275.396 1.901 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000037268361 1165762916 /nfs/dbraw/zinc/76/29/16/1165762916.db2.gz MBOXEYYBWAZYSK-CYBMUJFWSA-N 0 3 275.396 1.901 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000876619085 790513160 /nfs/dbraw/zinc/51/31/60/790513160.db2.gz NVQCYEYEJBRWHJ-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000876619085 790513198 /nfs/dbraw/zinc/51/31/98/790513198.db2.gz NVQCYEYEJBRWHJ-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN COCC(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876618445 791073525 /nfs/dbraw/zinc/07/35/25/791073525.db2.gz VMTZMULVZTWUNZ-UHFFFAOYSA-N 0 3 292.379 1.428 20 10 CDCDHN C[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000722398634 791070672 /nfs/dbraw/zinc/07/06/72/791070672.db2.gz OVVBREJLVPEBHM-SECBINFHSA-N 0 3 285.185 1.948 20 10 CDCDHN CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649164 791105894 /nfs/dbraw/zinc/10/58/94/791105894.db2.gz NESVDIXMSJOMGR-NEPJUHHUSA-N 0 3 253.342 1.829 20 10 CDCDHN CN1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000387315053 791113808 /nfs/dbraw/zinc/11/38/08/791113808.db2.gz RGAGSWFQZMMQOW-OAHLLOKOSA-N 0 3 287.407 1.997 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000877516017 791129883 /nfs/dbraw/zinc/12/98/83/791129883.db2.gz ARWSHCVQAOHUAI-GJZGRUSLSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000877516017 791129892 /nfs/dbraw/zinc/12/98/92/791129892.db2.gz ARWSHCVQAOHUAI-GJZGRUSLSA-N 0 3 290.407 1.996 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)C2CC([NH3+])C2)c1[O-] ZINC000843387900 789886308 /nfs/dbraw/zinc/88/63/08/789886308.db2.gz PSAUTWYAALFAED-UHFFFAOYSA-N 0 3 266.316 1.655 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000280420736 789915964 /nfs/dbraw/zinc/91/59/64/789915964.db2.gz ZBQABZXFFKMPFZ-BXKDBHETSA-N 0 3 267.300 1.772 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000280420736 789915975 /nfs/dbraw/zinc/91/59/75/789915975.db2.gz ZBQABZXFFKMPFZ-BXKDBHETSA-N 0 3 267.300 1.772 20 10 CDCDHN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000776520987 790034186 /nfs/dbraw/zinc/03/41/86/790034186.db2.gz RZNNLYKFFXEGCA-HNNXBMFYSA-N 0 3 281.352 1.575 20 10 CDCDHN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000312049306 790081089 /nfs/dbraw/zinc/08/10/89/790081089.db2.gz WMBICONETCZDRN-ONGXEEELSA-N 0 3 264.325 1.262 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000790482243 790091579 /nfs/dbraw/zinc/09/15/79/790091579.db2.gz JJYGCQYCBXGMDZ-UHFFFAOYSA-N 0 3 299.330 1.455 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@H](N)CC(F)F ZINC000385592676 790229205 /nfs/dbraw/zinc/22/92/05/790229205.db2.gz IYQQFPJAHTWMCW-SECBINFHSA-N 0 3 258.268 1.333 20 10 CDCDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228941336 791281469 /nfs/dbraw/zinc/28/14/69/791281469.db2.gz MOGNEMWDCYKFMB-GHMZBOCLSA-N 0 3 250.342 1.956 20 10 CDCDHN CN(CCC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843050200 791373528 /nfs/dbraw/zinc/37/35/28/791373528.db2.gz BKQZLXGMQPMTFU-UHFFFAOYSA-N 0 3 273.720 1.734 20 10 CDCDHN Cc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC000877330385 791892941 /nfs/dbraw/zinc/89/29/41/791892941.db2.gz BQIBSQAXXPFHBN-AWEZNQCLSA-N 0 3 262.353 1.217 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000090721817 791929761 /nfs/dbraw/zinc/92/97/61/791929761.db2.gz CXMFOMKAMQTACE-YPMHNXCESA-N 0 3 264.369 1.973 20 10 CDCDHN CC[C@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182406423 792566020 /nfs/dbraw/zinc/56/60/20/792566020.db2.gz GHZVKKBBGKSHFN-QWRGUYRKSA-N 0 3 280.368 1.966 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(OC)cc1O)N(C)C ZINC000794380027 792662122 /nfs/dbraw/zinc/66/21/22/792662122.db2.gz WBCLXXDNHARJRK-GFCCVEGCSA-N 0 3 266.341 1.357 20 10 CDCDHN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228941347 792796912 /nfs/dbraw/zinc/79/69/12/792796912.db2.gz MOGNEMWDCYKFMB-MNOVXSKESA-N 0 3 250.342 1.956 20 10 CDCDHN CCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)c(O)c1 ZINC000776522056 792823802 /nfs/dbraw/zinc/82/38/02/792823802.db2.gz YFCAVZXPEKNSOY-WLRWDXFRSA-N 0 3 285.409 1.990 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](COC)OC)c([O-])c1 ZINC000781416944 792871709 /nfs/dbraw/zinc/87/17/09/792871709.db2.gz UJXAIXNIYOHNSX-CYBMUJFWSA-N 0 3 269.341 1.542 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([O-])cs1 ZINC000822156404 792873713 /nfs/dbraw/zinc/87/37/13/792873713.db2.gz QIZLPUUDGSRJSN-QWRGUYRKSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([O-])cs1 ZINC000822156404 792873715 /nfs/dbraw/zinc/87/37/15/792873715.db2.gz QIZLPUUDGSRJSN-QWRGUYRKSA-N 0 3 266.366 1.810 20 10 CDCDHN Cc1ccc(O)c(CNCc2cnc(N(C)C)nc2)c1 ZINC000858238097 793035562 /nfs/dbraw/zinc/03/55/62/793035562.db2.gz ULTVVUYKAUXJMW-UHFFFAOYSA-N 0 3 272.352 1.846 20 10 CDCDHN COC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000886854680 793328020 /nfs/dbraw/zinc/32/80/20/793328020.db2.gz XUCLCINEBNBMBI-ZDUSSCGKSA-N 0 3 277.368 1.683 20 10 CDCDHN COc1cccc([C@@H](C)NCC(=O)NC(C)C)c1O ZINC000846135146 793760322 /nfs/dbraw/zinc/76/03/22/793760322.db2.gz BPBKYZKVLXFBAH-SNVBAGLBSA-N 0 3 266.341 1.576 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000865663480 793835283 /nfs/dbraw/zinc/83/52/83/793835283.db2.gz XONJFNWDZPSSIS-KLPPZKSPSA-N 0 3 251.326 1.651 20 10 CDCDHN C[C@H](NC(=O)C1(N)CC1)c1ccc(N2CCOCC2)cc1 ZINC000166247004 793867811 /nfs/dbraw/zinc/86/78/11/793867811.db2.gz PCHMVSGKJASHII-LBPRGKRZSA-N 0 3 289.379 1.192 20 10 CDCDHN CC[NH2+][C@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817972231 793918211 /nfs/dbraw/zinc/91/82/11/793918211.db2.gz KKZNAAJOMCLODN-MNOVXSKESA-N 0 3 280.368 1.827 20 10 CDCDHN CCN[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817972231 793918220 /nfs/dbraw/zinc/91/82/20/793918220.db2.gz KKZNAAJOMCLODN-MNOVXSKESA-N 0 3 280.368 1.827 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCCNC1=O ZINC000840929659 794379646 /nfs/dbraw/zinc/37/96/46/794379646.db2.gz ULMDZYVXIPCHNS-OAHLLOKOSA-N 0 3 275.396 1.819 20 10 CDCDHN CCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)c([O-])c1 ZINC000775028957 794848173 /nfs/dbraw/zinc/84/81/73/794848173.db2.gz HNIXAMQYUNVJGY-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN COc1ccc(N(C)CCN(C)C(=O)C2(N)CC2)cc1 ZINC000846697374 795192699 /nfs/dbraw/zinc/19/26/99/795192699.db2.gz OZOPFAOPHLFXFG-UHFFFAOYSA-N 0 3 277.368 1.081 20 10 CDCDHN COC(=O)N1CC(N[C@@H](C)c2cccc(OC)c2O)C1 ZINC000846157793 795243931 /nfs/dbraw/zinc/24/39/31/795243931.db2.gz XHGHTUPAXXETBK-VIFPVBQESA-N 0 3 280.324 1.502 20 10 CDCDHN C[NH2+]CCNCc1cc(C)cc(Br)c1[O-] ZINC000841034895 795371710 /nfs/dbraw/zinc/37/17/10/795371710.db2.gz GPEHRUMKGVXVEG-UHFFFAOYSA-N 0 3 273.174 1.772 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816666335 795809263 /nfs/dbraw/zinc/80/92/63/795809263.db2.gz KVAAWDQSDPZQEW-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816666335 795809264 /nfs/dbraw/zinc/80/92/64/795809264.db2.gz KVAAWDQSDPZQEW-LBPRGKRZSA-N 0 3 265.353 1.995 20 10 CDCDHN O=C(NCC12CCC[NH+]1CCC2)c1cc([O-])cs1 ZINC000834753113 795847277 /nfs/dbraw/zinc/84/72/77/795847277.db2.gz ZASRRTZFOFBDIM-UHFFFAOYSA-N 0 3 266.366 1.812 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000840963483 795881201 /nfs/dbraw/zinc/88/12/01/795881201.db2.gz OEDCFEPFQHZCAI-ZWNOBZJWSA-N 0 3 269.316 1.408 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1 ZINC000876735784 795882684 /nfs/dbraw/zinc/88/26/84/795882684.db2.gz HTZQODPUWXBQME-LBPRGKRZSA-N 0 3 298.408 1.214 20 10 CDCDHN COc1ccc(O)c(CN(C)C[C@H]2COCCO2)c1 ZINC000827141793 796098317 /nfs/dbraw/zinc/09/83/17/796098317.db2.gz XRWNVVHSEMDVJV-ZDUSSCGKSA-N 0 3 267.325 1.248 20 10 CDCDHN C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981633 796270361 /nfs/dbraw/zinc/27/03/61/796270361.db2.gz MDGLMWSXNSWLSE-ONGXEEELSA-N 0 3 286.322 1.700 20 10 CDCDHN CCc1cccc(CN2CCN3CCOC[C@@H]3C2)c1O ZINC000848902005 796324456 /nfs/dbraw/zinc/32/44/56/796324456.db2.gz IPAQOQPANCZUBY-HNNXBMFYSA-N 0 3 276.380 1.471 20 10 CDCDHN CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619768 914191481 /nfs/dbraw/zinc/19/14/81/914191481.db2.gz ZFKAEXYWGCOAMG-INIZCTEOSA-N 0 3 288.347 1.363 20 10 CDCDHN CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619768 914191493 /nfs/dbraw/zinc/19/14/93/914191493.db2.gz ZFKAEXYWGCOAMG-INIZCTEOSA-N 0 3 288.347 1.363 20 10 CDCDHN CN1CCOc2cc(CN3CCC(C)(O)CC3)ccc21 ZINC001141140429 899779808 /nfs/dbraw/zinc/77/98/08/899779808.db2.gz LXRYKAGXNAWNLN-UHFFFAOYSA-N 0 3 276.380 1.862 20 10 CDCDHN CN1CCC[C@@](C)(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182157503 917695278 /nfs/dbraw/zinc/69/52/78/917695278.db2.gz SDCWYNMWDFJCHS-MRXNPFEDSA-N 0 3 292.379 1.631 20 10 CDCDHN CCN(Cc1ccc(N2CCOCC2)cc1)C1CN(C)C1 ZINC001138499755 936542982 /nfs/dbraw/zinc/54/29/82/936542982.db2.gz HTESCFXJMWCIJH-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN O=C1COC2(C1)CCN(Cc1cc(F)ccc1O)CC2 ZINC001140057256 936674978 /nfs/dbraw/zinc/67/49/78/936674978.db2.gz DHZMDRCWCCHMSA-UHFFFAOYSA-N 0 3 279.311 1.855 20 10 CDCDHN CC(=O)N1CCC2(CN(Cc3cc(C)ccc3O)C2)C1 ZINC001140620559 936731940 /nfs/dbraw/zinc/73/19/40/936731940.db2.gz SMWAYWXYBUCNEF-UHFFFAOYSA-N 0 3 274.364 1.755 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001140660352 936735998 /nfs/dbraw/zinc/73/59/98/936735998.db2.gz OWLLAYOIMGBATD-LRDDRELGSA-N 0 3 294.370 1.475 20 10 CDCDHN COc1cc(O)c(CN2CCOC[C@H](C)C2)c(OC)c1 ZINC001141032067 936795873 /nfs/dbraw/zinc/79/58/73/936795873.db2.gz QXQQYRNZAXFRCZ-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN CN1CCOc2cc(CN3CCC(CO)CC3)ccc21 ZINC001141142748 936819445 /nfs/dbraw/zinc/81/94/45/936819445.db2.gz ZQJFSDYKKFTYCW-UHFFFAOYSA-N 0 3 276.380 1.720 20 10 CDCDHN O=C1CC[C@@]2(CCCN(Cc3cc(O)ccc3O)C2)O1 ZINC001141162288 936823132 /nfs/dbraw/zinc/82/31/32/936823132.db2.gz NXRIXDDXGGPBBK-OAHLLOKOSA-N 0 3 277.320 1.769 20 10 CDCDHN CN1CCO[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142513135 937026042 /nfs/dbraw/zinc/02/60/42/937026042.db2.gz YXZUDJVZPKFQFI-OCCSQVGLSA-N 0 3 284.306 1.185 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC001169326669 927957502 /nfs/dbraw/zinc/95/75/02/927957502.db2.gz MCTBEYLWYXXHSC-JSGCOSHPSA-N 0 3 279.336 1.593 20 10 CDCDHN COCC[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858161639 928813980 /nfs/dbraw/zinc/81/39/80/928813980.db2.gz CIBINVLJKOTAAQ-NSHDSACASA-N 0 3 288.338 1.518 20 10 CDCDHN C[N@@H+]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906604 932123365 /nfs/dbraw/zinc/12/33/65/932123365.db2.gz HTRIHPCXVFFMIC-UHFFFAOYSA-N 0 3 250.317 1.669 20 10 CDCDHN C[N@H+]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906604 932123374 /nfs/dbraw/zinc/12/33/74/932123374.db2.gz HTRIHPCXVFFMIC-UHFFFAOYSA-N 0 3 250.317 1.669 20 10 CDCDHN CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253699323 935845307 /nfs/dbraw/zinc/84/53/07/935845307.db2.gz KLSXLLSFKXUXHW-GFCCVEGCSA-N 0 3 267.325 1.184 20 10 CDCDHN CCOc1cccc(CN2CCOC[C@@](C)(O)C2)c1O ZINC001203603272 939696108 /nfs/dbraw/zinc/69/61/08/939696108.db2.gz MGWAAGYJENFWDT-HNNXBMFYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc(CN2CC3(C2)CCN(C)C3=O)c1O ZINC001203602299 939696250 /nfs/dbraw/zinc/69/62/50/939696250.db2.gz NNYTZVGGBACDAB-UHFFFAOYSA-N 0 3 276.336 1.065 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c([O-])c1 ZINC001203620940 939697009 /nfs/dbraw/zinc/69/70/09/939697009.db2.gz KBPMAKPSBSCSPL-ZDUSSCGKSA-N 0 3 293.363 1.517 20 10 CDCDHN CN1CCN(CC[N@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664009 939700486 /nfs/dbraw/zinc/70/04/86/939700486.db2.gz LCTBPPNMXRAZSQ-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN CN1CCN(CC[N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664009 939700487 /nfs/dbraw/zinc/70/04/87/939700487.db2.gz LCTBPPNMXRAZSQ-UHFFFAOYSA-N 0 3 297.830 1.725 20 10 CDCDHN COC(CN(C)Cc1ccc(N(C)C)cc1)OC ZINC001203937910 939715304 /nfs/dbraw/zinc/71/53/04/939715304.db2.gz YXBWCQSXQAOITA-UHFFFAOYSA-N 0 3 252.358 1.803 20 10 CDCDHN CN1CCC([N@H+](C)Cc2ccc(O)cc2[O-])CC1 ZINC001204272435 939749871 /nfs/dbraw/zinc/74/98/71/939749871.db2.gz NXXSZSYDZLOMIF-UHFFFAOYSA-N 0 3 250.342 1.624 20 10 CDCDHN CN1CCC([N@@H+](C)Cc2ccc(O)cc2[O-])CC1 ZINC001204272435 939749875 /nfs/dbraw/zinc/74/98/75/939749875.db2.gz NXXSZSYDZLOMIF-UHFFFAOYSA-N 0 3 250.342 1.624 20 10 CDCDHN CC(=O)N[C@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204275584 939750215 /nfs/dbraw/zinc/75/02/15/939750215.db2.gz WNLTXNTVKCMKAJ-LBPRGKRZSA-N 0 3 264.325 1.198 20 10 CDCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278863 939751327 /nfs/dbraw/zinc/75/13/27/939751327.db2.gz KYCRRJZMJKDWHX-HNNXBMFYSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278863 939751328 /nfs/dbraw/zinc/75/13/28/939751328.db2.gz KYCRRJZMJKDWHX-HNNXBMFYSA-N 0 3 279.336 1.873 20 10 CDCDHN C[N@H+](CCCC1OCCO1)Cc1ccccc1[O-] ZINC001209308561 940458895 /nfs/dbraw/zinc/45/88/95/940458895.db2.gz CVXXBRPLYAPVNL-UHFFFAOYSA-N 0 3 251.326 1.977 20 10 CDCDHN C[N@@H+](CCCC1OCCO1)Cc1ccccc1[O-] ZINC001209308561 940458897 /nfs/dbraw/zinc/45/88/97/940458897.db2.gz CVXXBRPLYAPVNL-UHFFFAOYSA-N 0 3 251.326 1.977 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441500 942577989 /nfs/dbraw/zinc/57/79/89/942577989.db2.gz MGVAUAJMYSWRQE-IUODEOHRSA-N 0 3 260.337 1.302 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441500 942577992 /nfs/dbraw/zinc/57/79/92/942577992.db2.gz MGVAUAJMYSWRQE-IUODEOHRSA-N 0 3 260.337 1.302 20 10 CDCDHN C[NH+]1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C2)CC1 ZINC001231453824 942899573 /nfs/dbraw/zinc/89/95/73/942899573.db2.gz KUYACMITMRBXPS-UHFFFAOYSA-N 0 3 290.363 1.618 20 10 CDCDHN Cc1cccc(CN2CCN(CC(N)=O)C(C)(C)C2)c1O ZINC001231594044 942938682 /nfs/dbraw/zinc/93/86/82/942938682.db2.gz RTOFJPXOUOTNRA-UHFFFAOYSA-N 0 3 291.395 1.082 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@H]3CCO3)cc2)CC1 ZINC001234657930 943930789 /nfs/dbraw/zinc/93/07/89/943930789.db2.gz MTYNGVDIZKECSP-MRXNPFEDSA-N 0 3 276.380 1.996 20 10 CDCDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH3+])cc1Cl ZINC001236251697 944437569 /nfs/dbraw/zinc/43/75/69/944437569.db2.gz YKCFHTNEYRSDDM-SNVBAGLBSA-N 0 3 270.760 1.977 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001236809551 944576850 /nfs/dbraw/zinc/57/68/50/944576850.db2.gz XUCAZZKHZLCRGE-BMIGLBTASA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001236809551 944576857 /nfs/dbraw/zinc/57/68/57/944576857.db2.gz XUCAZZKHZLCRGE-BMIGLBTASA-N 0 3 265.353 1.912 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001237037862 944644513 /nfs/dbraw/zinc/64/45/13/944644513.db2.gz AAMHTLPTFVVQJH-GXTWGEPZSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001237037862 944644517 /nfs/dbraw/zinc/64/45/17/944644517.db2.gz AAMHTLPTFVVQJH-GXTWGEPZSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(CN2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001237037862 944644523 /nfs/dbraw/zinc/64/45/23/944644523.db2.gz AAMHTLPTFVVQJH-GXTWGEPZSA-N 0 3 269.316 1.696 20 10 CDCDHN CC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238060656 945046401 /nfs/dbraw/zinc/04/64/01/945046401.db2.gz DHXYKMNAAHWRRG-AWEZNQCLSA-N 0 3 280.343 1.940 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC3(CSC3)C2)c([O-])c1 ZINC001249217021 949461018 /nfs/dbraw/zinc/46/10/18/949461018.db2.gz KUJLOZOUDNCRIQ-UHFFFAOYSA-N 0 3 293.388 1.657 20 10 CDCDHN COC(=O)Cc1ccc(CN2CC3(CSC3)C2)c(O)c1 ZINC001249217021 949461034 /nfs/dbraw/zinc/46/10/34/949461034.db2.gz KUJLOZOUDNCRIQ-UHFFFAOYSA-N 0 3 293.388 1.657 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253712578 952056315 /nfs/dbraw/zinc/05/63/15/952056315.db2.gz UPOSTPMEORIQBG-CQSZACIVSA-N 0 3 294.395 1.545 20 10 CDCDHN C[N@H+](CCCF)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001349957992 966541653 /nfs/dbraw/zinc/54/16/53/966541653.db2.gz GOJAUYCFWWKPBX-GFCCVEGCSA-N 0 3 255.289 1.609 20 10 CDCDHN C[N@@H+](CCCF)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001349957992 966541659 /nfs/dbraw/zinc/54/16/59/966541659.db2.gz GOJAUYCFWWKPBX-GFCCVEGCSA-N 0 3 255.289 1.609 20 10 CDCDHN C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCC[NH2+]C1 ZINC001354864001 968937751 /nfs/dbraw/zinc/93/77/51/968937751.db2.gz BJWNELHPPKUWPA-CQSZACIVSA-N 0 3 266.316 1.537 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184195558 343163056 /nfs/dbraw/zinc/16/30/56/343163056.db2.gz NQLGANFNMHISHZ-MRXNPFEDSA-N 0 3 278.396 1.774 20 10 CDCDHN NC(=O)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179937001 357232622 /nfs/dbraw/zinc/23/26/22/357232622.db2.gz UXVXQYFQJLZPJO-UHFFFAOYSA-N 0 3 266.316 1.619 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180453176 357271248 /nfs/dbraw/zinc/27/12/48/357271248.db2.gz KBOFTHMFHXOPOG-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180453176 357271250 /nfs/dbraw/zinc/27/12/50/357271250.db2.gz KBOFTHMFHXOPOG-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000294459228 199048244 /nfs/dbraw/zinc/04/82/44/199048244.db2.gz WCSALJUXPZPOMH-UPJWGTAASA-N 0 3 265.353 1.891 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000188825987 357941676 /nfs/dbraw/zinc/94/16/76/357941676.db2.gz MDZLIVOWKDLYED-ZDUSSCGKSA-N 0 3 251.326 1.630 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000188825987 357941680 /nfs/dbraw/zinc/94/16/80/357941680.db2.gz MDZLIVOWKDLYED-ZDUSSCGKSA-N 0 3 251.326 1.630 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294914527 199245575 /nfs/dbraw/zinc/24/55/75/199245575.db2.gz AJJCSJZOVKZJNO-INIZCTEOSA-N 0 3 293.363 1.712 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294914527 199245576 /nfs/dbraw/zinc/24/55/76/199245576.db2.gz AJJCSJZOVKZJNO-INIZCTEOSA-N 0 3 293.363 1.712 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCOC1)OCO2 ZINC000042880297 358983557 /nfs/dbraw/zinc/98/35/57/358983557.db2.gz PMPWPKAMRDFHCZ-JTQLQIEISA-N 0 3 265.309 1.637 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCSCC2)c1 ZINC000226648503 359711355 /nfs/dbraw/zinc/71/13/55/359711355.db2.gz IMLXRZGMPUPJQV-UHFFFAOYSA-N 0 3 266.410 1.839 20 10 CDCDHN COc1cccc(C[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000230160470 360254681 /nfs/dbraw/zinc/25/46/81/360254681.db2.gz PNBLDFZUMZOITF-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN Cc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1 ZINC000132893859 361293227 /nfs/dbraw/zinc/29/32/27/361293227.db2.gz ACVHGQLQDZNECI-UHFFFAOYSA-N 0 3 250.342 1.644 20 10 CDCDHN CN(C)CC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000282250363 364006817 /nfs/dbraw/zinc/00/68/17/364006817.db2.gz OMBFOADDGLUXAN-UHFFFAOYSA-N 0 3 278.352 1.695 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](CO)CCOC)c1[O-] ZINC000282122571 363958876 /nfs/dbraw/zinc/95/88/76/363958876.db2.gz FQYYHRIRNRVCCQ-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN CCCC[N@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000270995916 364864018 /nfs/dbraw/zinc/86/40/18/364864018.db2.gz JRRSAFVTNBBLCG-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCCC[N@@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000270995916 364864023 /nfs/dbraw/zinc/86/40/23/364864023.db2.gz JRRSAFVTNBBLCG-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000272879869 365429901 /nfs/dbraw/zinc/42/99/01/365429901.db2.gz QJWLOSXRTNEXMX-QMTHXVAHSA-N 0 3 261.325 1.510 20 10 CDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273366867 365489499 /nfs/dbraw/zinc/48/94/99/365489499.db2.gz BRVJGBOZMIMSSV-FZMZJTMJSA-N 0 3 279.380 1.929 20 10 CDCDHN Cc1ccc([C@@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490422 365500546 /nfs/dbraw/zinc/50/05/46/365500546.db2.gz OCMBNWPAKVOWNH-BXUZGUMPSA-N 0 3 275.352 1.818 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1C ZINC000273524589 365503909 /nfs/dbraw/zinc/50/39/09/365503909.db2.gz UYCICBBZPFLJTO-DOMZBBRYSA-N 0 3 265.353 1.811 20 10 CDCDHN CCN(CCNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000226397385 367368113 /nfs/dbraw/zinc/36/81/13/367368113.db2.gz RUQNAWPEQXMIRH-UHFFFAOYSA-N 0 3 261.369 1.412 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)CCOC)c1 ZINC000282132707 367740494 /nfs/dbraw/zinc/74/04/94/367740494.db2.gz GLLLPCGYNAWAIK-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NCC(F)F ZINC000296391786 371435249 /nfs/dbraw/zinc/43/52/49/371435249.db2.gz JXIDCEBYKJBWCP-SECBINFHSA-N 0 3 270.279 1.350 20 10 CDCDHN COc1cc(Cl)cc(CNCCS(C)(=O)=O)c1O ZINC000228672467 390937072 /nfs/dbraw/zinc/93/70/72/390937072.db2.gz QMIVUSFDLYMFGJ-UHFFFAOYSA-N 0 3 293.772 1.188 20 10 CDCDHN CC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1 ZINC000133273701 390902826 /nfs/dbraw/zinc/90/28/26/390902826.db2.gz ABFVMWZWONMOCP-UHFFFAOYSA-N 0 3 262.353 1.755 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000093808766 390904253 /nfs/dbraw/zinc/90/42/53/390904253.db2.gz CCOCILMYCNEZHH-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000093808766 390904255 /nfs/dbraw/zinc/90/42/55/390904255.db2.gz CCOCILMYCNEZHH-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1[O-] ZINC000105488008 391065405 /nfs/dbraw/zinc/06/54/05/391065405.db2.gz VTKJRPLBBOUGPE-LLVKDONJSA-N 0 3 264.369 1.973 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000182325813 391232578 /nfs/dbraw/zinc/23/25/78/391232578.db2.gz WZIYGTDQVBVGKC-SNVBAGLBSA-N 0 3 267.325 1.060 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000168181921 391276480 /nfs/dbraw/zinc/27/64/80/391276480.db2.gz FVYSBMCRWXJYIB-XTZNXHDOSA-N 0 3 271.382 1.648 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000188469916 391404645 /nfs/dbraw/zinc/40/46/45/391404645.db2.gz GRICZDFKISZAKV-NSHDSACASA-N 0 3 262.353 1.578 20 10 CDCDHN Oc1ccc(F)cc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000361049750 391679033 /nfs/dbraw/zinc/67/90/33/391679033.db2.gz DNSXRQXSIVLANF-ZBFHGGJFSA-N 0 3 294.370 1.562 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082860 174091556 /nfs/dbraw/zinc/09/15/56/174091556.db2.gz QADMBKSMOCYTPS-DGCLKSJQSA-N 0 3 283.393 1.868 20 10 CDCDHN COCCOCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000020192080 292576801 /nfs/dbraw/zinc/57/68/01/292576801.db2.gz QCHODFAHVBAMIQ-UHFFFAOYSA-N 0 3 269.341 1.544 20 10 CDCDHN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000128124599 260371875 /nfs/dbraw/zinc/37/18/75/260371875.db2.gz VZKSFRIDITXTGP-CHWSQXEVSA-N 0 3 265.309 1.370 20 10 CDCDHN C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)ccc1[O-] ZINC000185003063 262036345 /nfs/dbraw/zinc/03/63/45/262036345.db2.gz QERKCRLFRCPZOQ-JTQLQIEISA-N 0 3 296.342 1.464 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000186089384 262079284 /nfs/dbraw/zinc/07/92/84/262079284.db2.gz VKHHEXYKRRDSKY-GXSJLCMTSA-N 0 3 278.327 1.945 20 10 CDCDHN C[C@H]([NH2+]CC1(CO)COC1)c1cc2c(cc1[O-])CCCC2 ZINC000186146332 262081777 /nfs/dbraw/zinc/08/17/77/262081777.db2.gz JMTYOEBCHXUYOC-LBPRGKRZSA-N 0 3 291.391 1.931 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1F ZINC000292711169 263134105 /nfs/dbraw/zinc/13/41/05/263134105.db2.gz OROYQPVCTHMBHD-OLZOCXBDSA-N 0 3 282.359 1.521 20 10 CDCDHN COCCN(C)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295959920 274022607 /nfs/dbraw/zinc/02/26/07/274022607.db2.gz LYTBPOHNUDVQEQ-AWEZNQCLSA-N 0 3 278.396 1.937 20 10 CDCDHN CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c1[O-] ZINC000093899055 327146078 /nfs/dbraw/zinc/14/60/78/327146078.db2.gz GTIUKELDIZMDGV-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)NC)c1[O-] ZINC000093899055 327146080 /nfs/dbraw/zinc/14/60/80/327146080.db2.gz GTIUKELDIZMDGV-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CC(=O)NCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000220503087 333166961 /nfs/dbraw/zinc/16/69/61/333166961.db2.gz OKSOYQOANHKXDG-UHFFFAOYSA-N 0 3 262.353 1.740 20 10 CDCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC1 ZINC000135204717 334119667 /nfs/dbraw/zinc/11/96/67/334119667.db2.gz VKVIYUQZRFAUCM-UWVGGRQHSA-N 0 3 265.309 1.636 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NCC(F)(F)F ZINC000134229374 1160195467 /nfs/dbraw/zinc/19/54/67/1160195467.db2.gz SVDRXTKXXOYEHU-MRVPVSSYSA-N 0 3 276.258 1.549 20 10 CDCDHN CCOc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O ZINC000279647881 521361748 /nfs/dbraw/zinc/36/17/48/521361748.db2.gz KARBXAUGCDIPCC-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])OCCO ZINC000290124081 519268593 /nfs/dbraw/zinc/26/85/93/519268593.db2.gz JBZQJQPTTSSFQI-UHFFFAOYSA-N 0 3 257.305 1.408 20 10 CDCDHN CC[NH+](CC)CCNC(=O)c1cccc(O)c1[O-] ZINC000126219368 520685030 /nfs/dbraw/zinc/68/50/30/520685030.db2.gz DUOQLFKTXXHQSK-UHFFFAOYSA-N 0 3 252.314 1.169 20 10 CDCDHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000291633336 521611190 /nfs/dbraw/zinc/61/11/90/521611190.db2.gz UYOIHYFYBOFDPM-LLVKDONJSA-N 0 3 280.368 1.948 20 10 CDCDHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000291633336 521611192 /nfs/dbraw/zinc/61/11/92/521611192.db2.gz UYOIHYFYBOFDPM-LLVKDONJSA-N 0 3 280.368 1.948 20 10 CDCDHN CCNC(=O)C1(C[NH2+]Cc2cc(OC)ccc2[O-])CCC1 ZINC000277103881 521733414 /nfs/dbraw/zinc/73/34/14/521733414.db2.gz HIWHQXOHBVHBII-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN CC[C@@H]([NH2+]CCCOCCO)c1ccccc1[O-] ZINC000157923607 522829544 /nfs/dbraw/zinc/82/95/44/522829544.db2.gz SKRMGTGBGPNCIS-CYBMUJFWSA-N 0 3 253.342 1.832 20 10 CDCDHN CN1CCC(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000237105152 523750534 /nfs/dbraw/zinc/75/05/34/523750534.db2.gz MPKJFWMUMIIDSZ-UHFFFAOYSA-N 0 3 261.369 1.269 20 10 CDCDHN O=C(CC[NH2+]Cc1ccccc1[O-])Nc1ccccn1 ZINC000725849263 574444580 /nfs/dbraw/zinc/44/45/80/574444580.db2.gz YAKJJIDLKZAEBF-UHFFFAOYSA-N 0 3 271.320 1.906 20 10 CDCDHN CC[C@@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727060858 574540167 /nfs/dbraw/zinc/54/01/67/574540167.db2.gz XINRLVUHWDEQJQ-AWEZNQCLSA-N 0 3 293.411 1.072 20 10 CDCDHN O=C(NC1CC[NH+](C2CC2)CC1)c1cc([O-])cs1 ZINC000731867294 575068357 /nfs/dbraw/zinc/06/83/57/575068357.db2.gz ROXSNSMLIFUSFU-UHFFFAOYSA-N 0 3 266.366 1.810 20 10 CDCDHN C[N@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000732203274 575083318 /nfs/dbraw/zinc/08/33/18/575083318.db2.gz UQVMXADEBJOPPH-UHFFFAOYSA-N 0 3 250.298 1.276 20 10 CDCDHN C[N@@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000732203274 575083319 /nfs/dbraw/zinc/08/33/19/575083319.db2.gz UQVMXADEBJOPPH-UHFFFAOYSA-N 0 3 250.298 1.276 20 10 CDCDHN CCOc1ccc(C[NH2+]CCc2cnccn2)c([O-])c1 ZINC000774833260 575244850 /nfs/dbraw/zinc/24/48/50/575244850.db2.gz QYJSFRRVWSGFTD-UHFFFAOYSA-N 0 3 273.336 1.913 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734285173 575335061 /nfs/dbraw/zinc/33/50/61/575335061.db2.gz HIPVVMRFTMWQLW-ZDUSSCGKSA-N 0 3 289.379 1.770 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000769540289 575357943 /nfs/dbraw/zinc/35/79/43/575357943.db2.gz LBGCCIQQNDHGMM-TXEJJXNPSA-N 0 3 292.379 1.890 20 10 CDCDHN CCN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1 ZINC000773829315 575839849 /nfs/dbraw/zinc/83/98/49/575839849.db2.gz AUTKBSLNVNTVPZ-INIZCTEOSA-N 0 3 278.396 1.726 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(O)CC(OCC)C2)c([O-])c1 ZINC000767738766 576225394 /nfs/dbraw/zinc/22/53/94/576225394.db2.gz NLNOQOOLMHLQGD-UHFFFAOYSA-N 0 3 295.379 1.811 20 10 CDCDHN CO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768453621 576285960 /nfs/dbraw/zinc/28/59/60/576285960.db2.gz ZYZZBCKGXMANEI-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768453621 576285962 /nfs/dbraw/zinc/28/59/62/576285962.db2.gz ZYZZBCKGXMANEI-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCOC1 ZINC000768462700 576287460 /nfs/dbraw/zinc/28/74/60/576287460.db2.gz BXVMTAOLFMAOIP-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCOC1 ZINC000768462700 576287462 /nfs/dbraw/zinc/28/74/62/576287462.db2.gz BXVMTAOLFMAOIP-QMTHXVAHSA-N 0 3 279.336 1.286 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000762787622 576672313 /nfs/dbraw/zinc/67/23/13/576672313.db2.gz MXKLMPVKGIOCSM-SIVJFFJCSA-N 0 3 294.370 1.736 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756505666 576992573 /nfs/dbraw/zinc/99/25/73/576992573.db2.gz VDKZSKKQMFTGRT-WCBMZHEXSA-N 0 3 287.356 1.714 20 10 CDCDHN O=C1NCCc2ccc(C[NH2+]Cc3ccccc3[O-])cc21 ZINC000757942498 577062339 /nfs/dbraw/zinc/06/23/39/577062339.db2.gz IWUHOPJTBYJKJS-UHFFFAOYSA-N 0 3 282.343 1.968 20 10 CDCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCNC1=O ZINC000758401011 577105537 /nfs/dbraw/zinc/10/55/37/577105537.db2.gz PJRAPEUDMPKFBH-CQSZACIVSA-N 0 3 270.332 1.866 20 10 CDCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCNC1=O ZINC000758401011 577105539 /nfs/dbraw/zinc/10/55/39/577105539.db2.gz PJRAPEUDMPKFBH-CQSZACIVSA-N 0 3 270.332 1.866 20 10 CDCDHN O=C1NC2(CO1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000753586122 577178496 /nfs/dbraw/zinc/17/84/96/577178496.db2.gz BFRJTUINBONSFO-UHFFFAOYSA-N 0 3 280.299 1.606 20 10 CDCDHN CCN1CCN(Cc2ccc(OC)c(OC)c2O)C[C@H]1C ZINC000891991778 617963494 /nfs/dbraw/zinc/96/34/94/617963494.db2.gz HTTBXHGDQMDLIU-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN CN1CCN(CCC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000020128442 619411191 /nfs/dbraw/zinc/41/11/91/619411191.db2.gz QPBXOYHHCKNFFF-UHFFFAOYSA-N 0 3 297.830 1.773 20 10 CDCDHN CCN1CC[C@@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000883361226 620024212 /nfs/dbraw/zinc/02/42/12/620024212.db2.gz WZETWFFGFYRCKJ-LLVKDONJSA-N 0 3 250.342 1.585 20 10 CDCDHN CN(C)C1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910946950 629126456 /nfs/dbraw/zinc/12/64/56/629126456.db2.gz WOQGFUIGFNRYTA-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2O)C1(C)C ZINC000157718071 630609225 /nfs/dbraw/zinc/60/92/25/630609225.db2.gz LBLPPLDHCHOFCT-XJKSGUPXSA-N 0 3 292.379 1.541 20 10 CDCDHN C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000851840403 1164447974 /nfs/dbraw/zinc/44/79/74/1164447974.db2.gz FWYHVWUYZWIVFR-ZIAGYGMSSA-N 0 3 278.396 1.933 20 10 CDCDHN C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000851840403 1164447975 /nfs/dbraw/zinc/44/79/75/1164447975.db2.gz FWYHVWUYZWIVFR-ZIAGYGMSSA-N 0 3 278.396 1.933 20 10 CDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877424332 1166034339 /nfs/dbraw/zinc/03/43/39/1166034339.db2.gz JAWMVDVEXPXNBG-GDBMZVCRSA-N 0 3 295.379 1.611 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000877587746 1166063829 /nfs/dbraw/zinc/06/38/29/1166063829.db2.gz HMZBKSPOSKAZRM-GFCCVEGCSA-N 0 3 262.353 1.611 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000877587746 1166063833 /nfs/dbraw/zinc/06/38/33/1166063833.db2.gz HMZBKSPOSKAZRM-GFCCVEGCSA-N 0 3 262.353 1.611 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846137842 796498566 /nfs/dbraw/zinc/49/85/66/796498566.db2.gz RJMDTIVJGKJNSU-VHSXEESVSA-N 0 3 266.341 1.576 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000126499818 796599612 /nfs/dbraw/zinc/59/96/12/796599612.db2.gz VQRZPFVJIZNQPR-VHSXEESVSA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000126499818 796599619 /nfs/dbraw/zinc/59/96/19/796599619.db2.gz VQRZPFVJIZNQPR-VHSXEESVSA-N 0 3 264.325 1.310 20 10 CDCDHN COc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000794391062 796695220 /nfs/dbraw/zinc/69/52/20/796695220.db2.gz UDGQBFWWLXPFDH-RYUDHWBXSA-N 0 3 292.379 1.890 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1[O-] ZINC000720951488 796752823 /nfs/dbraw/zinc/75/28/23/796752823.db2.gz OLORWPILAOAQMF-DKTWLAJQSA-N 0 3 271.744 1.915 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936982 796932704 /nfs/dbraw/zinc/93/27/04/796932704.db2.gz PNELAJCVQFJGON-LBPRGKRZSA-N 0 3 263.385 1.675 20 10 CDCDHN OC1CCN(c2ccc(CN3CCCOCC3)cc2)CC1 ZINC000876618273 797361902 /nfs/dbraw/zinc/36/19/02/797361902.db2.gz OZPVXLGBJBAYNK-UHFFFAOYSA-N 0 3 290.407 1.870 20 10 CDCDHN C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794672465 797382634 /nfs/dbraw/zinc/38/26/34/797382634.db2.gz LAHJRNSLYOHTBY-GOEBONIOSA-N 0 3 293.363 1.555 20 10 CDCDHN C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794672465 797382647 /nfs/dbraw/zinc/38/26/47/797382647.db2.gz LAHJRNSLYOHTBY-GOEBONIOSA-N 0 3 293.363 1.555 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843355824 797837380 /nfs/dbraw/zinc/83/73/80/797837380.db2.gz KAIJUPWUNOOGLS-YMTOWFKASA-N 0 3 296.342 1.282 20 10 CDCDHN CC[C@H]1CN(C)CCN1Cc1cc(OC)c(OC)cc1O ZINC000816660574 798016648 /nfs/dbraw/zinc/01/66/48/798016648.db2.gz IZMQRKBFTLILKS-ZDUSSCGKSA-N 0 3 294.395 1.935 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140060076 894782094 /nfs/dbraw/zinc/78/20/94/894782094.db2.gz JVSYHQWYPMQBCJ-AWEZNQCLSA-N 0 3 280.343 1.974 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140060076 894782100 /nfs/dbraw/zinc/78/21/00/894782100.db2.gz JVSYHQWYPMQBCJ-AWEZNQCLSA-N 0 3 280.343 1.974 20 10 CDCDHN CCOCCN(CCOCC)Cc1cc(O)ccc1O ZINC001141159136 899830444 /nfs/dbraw/zinc/83/04/44/899830444.db2.gz AAMJVNCIBBSZJD-UHFFFAOYSA-N 0 3 283.368 1.973 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(Cl)c1 ZINC001235995608 914514824 /nfs/dbraw/zinc/51/48/24/914514824.db2.gz VKGAVGHBMSSVBK-XPTSAGLGSA-N 0 3 282.771 1.977 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001204279260 916615358 /nfs/dbraw/zinc/61/53/58/916615358.db2.gz UCFJSSILKVZCKZ-IKARSPCKSA-N 0 3 261.321 1.707 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001204279260 916615366 /nfs/dbraw/zinc/61/53/66/916615366.db2.gz UCFJSSILKVZCKZ-IKARSPCKSA-N 0 3 261.321 1.707 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC(C)C)c1 ZINC000828667291 936382448 /nfs/dbraw/zinc/38/24/48/936382448.db2.gz PBTNKHQEHXDZKB-ZWNOBZJWSA-N 0 3 280.368 1.951 20 10 CDCDHN CCN(Cc1cccc(OC)c1O)C1CN(C)C1 ZINC001203599598 919309624 /nfs/dbraw/zinc/30/96/24/919309624.db2.gz JKKWWXCUFGCUNU-UHFFFAOYSA-N 0 3 250.342 1.537 20 10 CDCDHN CCC(=O)NC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203627456 919780180 /nfs/dbraw/zinc/78/01/80/919780180.db2.gz FODWCJOTNVWPFZ-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN CCOc1cccc(CN2CCCN(C=O)CC2)c1O ZINC000827877418 936612064 /nfs/dbraw/zinc/61/20/64/936612064.db2.gz MZDGMDWDSRZKQG-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN CN1CCN(c2ccc(CN3CC4(CCO4)C3)cc2)CC1 ZINC001139412322 936618299 /nfs/dbraw/zinc/61/82/99/936618299.db2.gz GAKVQNDZNFCXBE-UHFFFAOYSA-N 0 3 287.407 1.413 20 10 CDCDHN CCCN(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937051 936615545 /nfs/dbraw/zinc/61/55/45/936615545.db2.gz JDQLSMAAFFDMBS-LLVKDONJSA-N 0 3 250.342 1.911 20 10 CDCDHN C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000387122383 936637098 /nfs/dbraw/zinc/63/70/98/936637098.db2.gz KPLQOHCFJPSDNG-UHFFFAOYSA-N 0 3 280.368 1.948 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000391527332 936659069 /nfs/dbraw/zinc/65/90/69/936659069.db2.gz FMYMCCZVBXXSIV-RYUDHWBXSA-N 0 3 260.337 1.590 20 10 CDCDHN CCN1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000391601849 936659240 /nfs/dbraw/zinc/65/92/40/936659240.db2.gz JZIDJKZCSZKRHZ-LLVKDONJSA-N 0 3 252.289 1.242 20 10 CDCDHN Cc1ccc(C)c(CN2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001140182699 936684931 /nfs/dbraw/zinc/68/49/31/936684931.db2.gz XRCHKLSPCIGNKZ-CQSZACIVSA-N 0 3 290.407 1.914 20 10 CDCDHN CCN(CC)c1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001140850247 936764366 /nfs/dbraw/zinc/76/43/66/936764366.db2.gz HXSABFXXNWWZCL-UHFFFAOYSA-N 0 3 277.412 1.984 20 10 CDCDHN COc1cc(O)c(CN2CCC(O)CC2)c(OC)c1 ZINC001141031491 936795124 /nfs/dbraw/zinc/79/51/24/936795124.db2.gz GZHHOAHHDFDMTJ-UHFFFAOYSA-N 0 3 267.325 1.366 20 10 CDCDHN CCN(CCOC)Cc1c(O)cc(OC)cc1OC ZINC001141031284 936795238 /nfs/dbraw/zinc/79/52/38/936795238.db2.gz BIYPBHHZIQUQKQ-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CC[N@H+](CCOC)Cc1c([O-])cc(OC)cc1OC ZINC001141031284 936795240 /nfs/dbraw/zinc/79/52/40/936795240.db2.gz BIYPBHHZIQUQKQ-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CC[N@@H+](CCOC)Cc1c([O-])cc(OC)cc1OC ZINC001141031284 936795241 /nfs/dbraw/zinc/79/52/41/936795241.db2.gz BIYPBHHZIQUQKQ-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@H]2OC)c1[O-] ZINC000843427512 937148188 /nfs/dbraw/zinc/14/81/88/937148188.db2.gz GDPBOLZNXUHSDG-ZYHUDNBSSA-N 0 3 287.743 1.558 20 10 CDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N ZINC000843485587 937155251 /nfs/dbraw/zinc/15/52/51/937155251.db2.gz MPUWLMMDPXNZIP-LBPRGKRZSA-N 0 3 263.385 1.837 20 10 CDCDHN [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001206632004 937203155 /nfs/dbraw/zinc/20/31/55/937203155.db2.gz DTTYFPKJCDJYBJ-NSHDSACASA-N 0 3 278.352 1.651 20 10 CDCDHN [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001206632004 937203157 /nfs/dbraw/zinc/20/31/57/937203157.db2.gz DTTYFPKJCDJYBJ-NSHDSACASA-N 0 3 278.352 1.651 20 10 CDCDHN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000854649843 928255567 /nfs/dbraw/zinc/25/55/67/928255567.db2.gz HKWSWQCSWKZNKN-SCZZXKLOSA-N 0 3 254.355 1.618 20 10 CDCDHN CC[C@@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270810 929804937 /nfs/dbraw/zinc/80/49/37/929804937.db2.gz AFIFCUUBWUTEEL-CYBMUJFWSA-N 0 3 259.357 1.802 20 10 CDCDHN CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000134227397 930524292 /nfs/dbraw/zinc/52/42/92/930524292.db2.gz ZNEFHCICFLLDHB-CYBMUJFWSA-N 0 3 253.342 1.515 20 10 CDCDHN CCN(CC)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000135728610 930672200 /nfs/dbraw/zinc/67/22/00/930672200.db2.gz JPMRXPOWCIBBHP-NSHDSACASA-N 0 3 280.368 1.920 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702188 932115620 /nfs/dbraw/zinc/11/56/20/932115620.db2.gz GGRBYYJHYJWBIK-GXSJLCMTSA-N 0 3 295.339 1.621 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702190 932116186 /nfs/dbraw/zinc/11/61/86/932116186.db2.gz GGRBYYJHYJWBIK-KOLCDFICSA-N 0 3 295.339 1.621 20 10 CDCDHN CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795748609 934927181 /nfs/dbraw/zinc/92/71/81/934927181.db2.gz DAKNYLGHUHZPMR-RNCFNFMXSA-N 0 3 267.325 1.285 20 10 CDCDHN CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795748609 934927183 /nfs/dbraw/zinc/92/71/83/934927183.db2.gz DAKNYLGHUHZPMR-RNCFNFMXSA-N 0 3 267.325 1.285 20 10 CDCDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001203551769 939692717 /nfs/dbraw/zinc/69/27/17/939692717.db2.gz NANOJJAFOYJOHK-INIZCTEOSA-N 0 3 274.364 1.979 20 10 CDCDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001203551769 939692719 /nfs/dbraw/zinc/69/27/19/939692719.db2.gz NANOJJAFOYJOHK-INIZCTEOSA-N 0 3 274.364 1.979 20 10 CDCDHN COc1ccc(C[N@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001203629222 939697968 /nfs/dbraw/zinc/69/79/68/939697968.db2.gz TUAJOOHGCRVDLK-UHFFFAOYSA-N 0 3 273.336 1.656 20 10 CDCDHN COc1ccc(C[N@@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001203629222 939697970 /nfs/dbraw/zinc/69/79/70/939697970.db2.gz TUAJOOHGCRVDLK-UHFFFAOYSA-N 0 3 273.336 1.656 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)cc3[O-])C[C@@H]21 ZINC001203629389 939697998 /nfs/dbraw/zinc/69/79/98/939697998.db2.gz ZVJOAEOZTRBDGQ-IMRBUKKESA-N 0 3 277.320 1.252 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)cc3[O-])C[C@@H]21 ZINC001203629389 939697999 /nfs/dbraw/zinc/69/79/99/939697999.db2.gz ZVJOAEOZTRBDGQ-IMRBUKKESA-N 0 3 277.320 1.252 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634548 939698908 /nfs/dbraw/zinc/69/89/08/939698908.db2.gz LKEKVKIXOSCOHL-UHFFFAOYSA-N 0 3 293.367 1.294 20 10 CDCDHN O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)O1 ZINC001204281619 939752317 /nfs/dbraw/zinc/75/23/17/939752317.db2.gz XGLBCYWWFONJLT-HNNXBMFYSA-N 0 3 277.320 1.769 20 10 CDCDHN O=C1CC[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)O1 ZINC001204281619 939752318 /nfs/dbraw/zinc/75/23/18/939752318.db2.gz XGLBCYWWFONJLT-HNNXBMFYSA-N 0 3 277.320 1.769 20 10 CDCDHN NC[C@@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674044 939915279 /nfs/dbraw/zinc/91/52/79/939915279.db2.gz YBIYYNIKECYOTR-AWEZNQCLSA-N 0 3 268.332 1.207 20 10 CDCDHN NC[C@@]1(O)CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674044 939915282 /nfs/dbraw/zinc/91/52/82/939915282.db2.gz YBIYYNIKECYOTR-AWEZNQCLSA-N 0 3 268.332 1.207 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000405415315 940986666 /nfs/dbraw/zinc/98/66/66/940986666.db2.gz OQOXCVWDTMZINK-SNVBAGLBSA-N 0 3 266.316 1.804 20 10 CDCDHN COc1cc(CN2CC[C@H]3OCC[C@H]32)c(O)cc1O ZINC001231632756 942947917 /nfs/dbraw/zinc/94/79/17/942947917.db2.gz CCQZFNWXUWCZMR-ZWNOBZJWSA-N 0 3 265.309 1.470 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c([O-])c1 ZINC001277569504 943022046 /nfs/dbraw/zinc/02/20/46/943022046.db2.gz ZRXAPWCQCPCGPV-CYBMUJFWSA-N 0 3 274.364 1.788 20 10 CDCDHN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC[C@@]1(C)O ZINC001233010378 943460636 /nfs/dbraw/zinc/46/06/36/943460636.db2.gz QEJVGKKRSPPEOP-MEBBXXQBSA-N 0 3 281.352 1.786 20 10 CDCDHN C[C@@H]1CC[C@H](O)CN1Cc1cc(O)c(O)cc1O ZINC001233483132 943592756 /nfs/dbraw/zinc/59/27/56/943592756.db2.gz ORYHPCFIMMCWBG-SCZZXKLOSA-N 0 3 253.298 1.149 20 10 CDCDHN CCCO[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485296 943593129 /nfs/dbraw/zinc/59/31/29/943593129.db2.gz QAHLLNAUYKXMGL-LLVKDONJSA-N 0 3 267.325 1.804 20 10 CDCDHN O=C1CCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)N1 ZINC001233486908 943595045 /nfs/dbraw/zinc/59/50/45/943595045.db2.gz HVJPWXPALDUYCJ-UHFFFAOYSA-N 0 3 292.335 1.048 20 10 CDCDHN Cc1cc([O-])c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235063096 944036690 /nfs/dbraw/zinc/03/66/90/944036690.db2.gz OBDGLLKTPBMPKM-OAHLLOKOSA-N 0 3 295.814 1.491 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235989991 944353779 /nfs/dbraw/zinc/35/37/79/944353779.db2.gz LCIWKQRQZWNCBX-YGRLFVJLSA-N 0 3 282.771 1.977 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H]3OCC[C@H]32)cc1OC ZINC001236750381 944558768 /nfs/dbraw/zinc/55/87/68/944558768.db2.gz RPUBINHCHNBSMB-DGCLKSJQSA-N 0 3 279.336 1.773 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001236820889 944583011 /nfs/dbraw/zinc/58/30/11/944583011.db2.gz OGYYWZCQRAJQRJ-SMDDNHRTSA-N 0 3 290.363 1.277 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001236820889 944583012 /nfs/dbraw/zinc/58/30/12/944583012.db2.gz OGYYWZCQRAJQRJ-SMDDNHRTSA-N 0 3 290.363 1.277 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001237484920 944811358 /nfs/dbraw/zinc/81/13/58/944811358.db2.gz KITCAFLIEHQIFW-GFCCVEGCSA-N 0 3 267.369 1.654 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001237484920 944811360 /nfs/dbraw/zinc/81/13/60/944811360.db2.gz KITCAFLIEHQIFW-GFCCVEGCSA-N 0 3 267.369 1.654 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001237489370 944813963 /nfs/dbraw/zinc/81/39/63/944813963.db2.gz XGNWNOARYWYXJK-FOLVSLTJSA-N 0 3 288.391 1.903 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001237489370 944813967 /nfs/dbraw/zinc/81/39/67/944813967.db2.gz XGNWNOARYWYXJK-FOLVSLTJSA-N 0 3 288.391 1.903 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001249207296 949460762 /nfs/dbraw/zinc/46/07/62/949460762.db2.gz AUBBQOWEDZYPMM-UHFFFAOYSA-N 0 3 279.336 1.186 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001249207296 949460775 /nfs/dbraw/zinc/46/07/75/949460775.db2.gz AUBBQOWEDZYPMM-UHFFFAOYSA-N 0 3 279.336 1.186 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)c([O-])c1 ZINC001336720511 960500075 /nfs/dbraw/zinc/50/00/75/960500075.db2.gz KLNHDUPNTIMFPX-UHFFFAOYSA-N 0 3 278.352 1.167 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)ccc1[O-] ZINC000295041391 199315541 /nfs/dbraw/zinc/31/55/41/199315541.db2.gz MQMPANMLAXTFBL-GFCCVEGCSA-N 0 3 286.397 1.118 20 10 CDCDHN COC(=O)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179876230 357228453 /nfs/dbraw/zinc/22/84/53/357228453.db2.gz JZYDAHJTZLVOET-UHFFFAOYSA-N 0 3 267.300 1.916 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000188803127 357938938 /nfs/dbraw/zinc/93/89/38/357938938.db2.gz KBZISXDMIGMWOM-ZYHUDNBSSA-N 0 3 251.326 1.651 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N)cc1F ZINC000167741464 364947763 /nfs/dbraw/zinc/94/77/63/364947763.db2.gz HZIQQARRVPDBGG-SNVBAGLBSA-N 0 3 267.348 1.635 20 10 CDCDHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000288031413 369388382 /nfs/dbraw/zinc/38/83/82/369388382.db2.gz NRMGRTDXGWKCLJ-NSHDSACASA-N 0 3 265.357 1.484 20 10 CDCDHN CNC(=O)CCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000273609120 371171280 /nfs/dbraw/zinc/17/12/80/371171280.db2.gz VEMZABRDCSVHRD-LLVKDONJSA-N 0 3 250.342 1.877 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122746532 390906467 /nfs/dbraw/zinc/90/64/67/390906467.db2.gz LUDWWFMWMFWPOV-CQSZACIVSA-N 0 3 292.379 1.844 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1ccccc1[O-] ZINC000183348299 391262170 /nfs/dbraw/zinc/26/21/70/391262170.db2.gz PQYMAXLMTWBQLU-GFCCVEGCSA-N 0 3 250.342 1.911 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000183374685 391263588 /nfs/dbraw/zinc/26/35/88/391263588.db2.gz RAXRWVOKSKHERS-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000183374685 391263592 /nfs/dbraw/zinc/26/35/92/391263592.db2.gz RAXRWVOKSKHERS-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN CC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000183468472 391265907 /nfs/dbraw/zinc/26/59/07/391265907.db2.gz PRXFANNDEOTBEX-UHFFFAOYSA-N 0 3 255.314 1.224 20 10 CDCDHN CC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000183468472 391265910 /nfs/dbraw/zinc/26/59/10/391265910.db2.gz PRXFANNDEOTBEX-UHFFFAOYSA-N 0 3 255.314 1.224 20 10 CDCDHN CCN(CCO)Cc1cc(OC)c(OC)cc1O ZINC000183468472 391265914 /nfs/dbraw/zinc/26/59/14/391265914.db2.gz PRXFANNDEOTBEX-UHFFFAOYSA-N 0 3 255.314 1.224 20 10 CDCDHN C[N@H+](CCNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126409627 260351384 /nfs/dbraw/zinc/35/13/84/260351384.db2.gz GRBJRNRKJZDMEK-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN C[N@@H+](CCNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126409627 260351386 /nfs/dbraw/zinc/35/13/86/260351386.db2.gz GRBJRNRKJZDMEK-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN COc1ccc(N2CCN(CCn3ccnc3)CC2)cc1 ZINC000154406211 261091026 /nfs/dbraw/zinc/09/10/26/261091026.db2.gz HIFOAXBRCYDEMD-UHFFFAOYSA-N 0 3 286.379 1.714 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000180560515 261866376 /nfs/dbraw/zinc/86/63/76/261866376.db2.gz DFGKIVLVGIINMA-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000180560515 261866379 /nfs/dbraw/zinc/86/63/79/261866379.db2.gz DFGKIVLVGIINMA-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC2(O)CCC2)cc1OC ZINC000284887293 263088326 /nfs/dbraw/zinc/08/83/26/263088326.db2.gz FFYXIZOJZWVNDB-UHFFFAOYSA-N 0 3 281.352 1.804 20 10 CDCDHN COCCOCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000290205835 328258484 /nfs/dbraw/zinc/25/84/84/328258484.db2.gz PYVTYKWEBMLZPR-UHFFFAOYSA-N 0 3 284.375 1.987 20 10 CDCDHN CCS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226590858 329261855 /nfs/dbraw/zinc/26/18/55/329261855.db2.gz UGXBZEQYUPSOPZ-UHFFFAOYSA-N 0 3 261.318 1.056 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000277724971 521653373 /nfs/dbraw/zinc/65/33/73/521653373.db2.gz OBHBMCCCDDRLET-UHFFFAOYSA-N 0 3 295.335 1.141 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC[C@@H](C)O)cc1OC ZINC000279347756 522779114 /nfs/dbraw/zinc/77/91/14/522779114.db2.gz FQMGWCSVQAOHTL-SNVBAGLBSA-N 0 3 269.341 1.660 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037154523 524756618 /nfs/dbraw/zinc/75/66/18/524756618.db2.gz DHVLGGQGTYDXJU-LLVKDONJSA-N 0 3 261.325 1.776 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280427689 524770311 /nfs/dbraw/zinc/77/03/11/524770311.db2.gz BORYMTDDPCPHBA-XQQFMLRXSA-N 0 3 295.379 1.696 20 10 CDCDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CCC1 ZINC000279804866 525099429 /nfs/dbraw/zinc/09/94/29/525099429.db2.gz NXARSGGPCMPBCS-UHFFFAOYSA-N 0 3 295.404 1.678 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279510998 525339593 /nfs/dbraw/zinc/33/95/93/525339593.db2.gz XGUCRTMVUZFBTO-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279510998 525339607 /nfs/dbraw/zinc/33/96/07/525339607.db2.gz XGUCRTMVUZFBTO-AWEZNQCLSA-N 0 3 278.396 1.853 20 10 CDCDHN COc1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291277232 525933693 /nfs/dbraw/zinc/93/36/93/525933693.db2.gz OHDVDQDUEVGVRJ-NSHDSACASA-N 0 3 287.306 1.850 20 10 CDCDHN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000275354659 527471877 /nfs/dbraw/zinc/47/18/77/527471877.db2.gz AHLJXYRGMBIQGB-JSGCOSHPSA-N 0 3 291.326 1.885 20 10 CDCDHN O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(O)c1[O-] ZINC000297222847 527525661 /nfs/dbraw/zinc/52/56/61/527525661.db2.gz QXMRZSTVTJAGQM-UHFFFAOYSA-N 0 3 290.363 1.845 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)C1CCOCC1 ZINC000276037089 527549730 /nfs/dbraw/zinc/54/97/30/527549730.db2.gz SDSAXGJHVOTNRW-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)C1CCOCC1 ZINC000276037089 527549733 /nfs/dbraw/zinc/54/97/33/527549733.db2.gz SDSAXGJHVOTNRW-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN Cc1cc(O)c(CN[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000747811061 574508813 /nfs/dbraw/zinc/50/88/13/574508813.db2.gz JUJHUBKYKNSLHY-ZDUSSCGKSA-N 0 3 283.393 1.676 20 10 CDCDHN CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732279457 575086415 /nfs/dbraw/zinc/08/64/15/575086415.db2.gz MGOXHXRBUJQUJR-SECBINFHSA-N 0 3 256.371 1.914 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000763480315 576739045 /nfs/dbraw/zinc/73/90/45/576739045.db2.gz LVZCPWKRTVCJLE-HNNXBMFYSA-N 0 3 281.352 1.686 20 10 CDCDHN CCOCC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000769785330 575384120 /nfs/dbraw/zinc/38/41/20/575384120.db2.gz AIJPVHBMQKCKLZ-NEPJUHHUSA-N 0 3 283.368 1.839 20 10 CDCDHN COCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439451 576282428 /nfs/dbraw/zinc/28/24/28/576282428.db2.gz HQSIVMTXXQECGN-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN COCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439451 576282430 /nfs/dbraw/zinc/28/24/30/576282430.db2.gz HQSIVMTXXQECGN-CYBMUJFWSA-N 0 3 267.325 1.286 20 10 CDCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768447258 576283787 /nfs/dbraw/zinc/28/37/87/576283787.db2.gz NTSKLWFVPCOSOT-AWEZNQCLSA-N 0 3 293.363 1.819 20 10 CDCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCO1 ZINC000768447258 576283790 /nfs/dbraw/zinc/28/37/90/576283790.db2.gz NTSKLWFVPCOSOT-AWEZNQCLSA-N 0 3 293.363 1.819 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446212 576284135 /nfs/dbraw/zinc/28/41/35/576284135.db2.gz LCXPKFKSIRWELT-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446212 576284137 /nfs/dbraw/zinc/28/41/37/576284137.db2.gz LCXPKFKSIRWELT-HZMBPMFUSA-N 0 3 279.336 1.286 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([O-])c1O ZINC000753029429 577141220 /nfs/dbraw/zinc/14/12/20/577141220.db2.gz NRAQTGOFAMZGSR-NSHDSACASA-N 0 3 280.368 1.865 20 10 CDCDHN Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([O-])c1O ZINC000753029429 577141222 /nfs/dbraw/zinc/14/12/22/577141222.db2.gz NRAQTGOFAMZGSR-NSHDSACASA-N 0 3 280.368 1.865 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(F)CC2)N(C)C)cc1 ZINC000891246033 617391073 /nfs/dbraw/zinc/39/10/73/617391073.db2.gz LNBGMYXAMDPTSO-AWEZNQCLSA-N 0 3 293.386 1.974 20 10 CDCDHN COc1cccc(CNCc2cnn(CCF)c2)c1O ZINC000894457535 618895331 /nfs/dbraw/zinc/89/53/31/618895331.db2.gz DHHMLMJARSQOMQ-UHFFFAOYSA-N 0 3 279.315 1.857 20 10 CDCDHN COc1cc(Cl)cc(CN[C@H]2C(=O)NCC2(C)C)c1O ZINC000895326101 619564026 /nfs/dbraw/zinc/56/40/26/619564026.db2.gz ZNBZJXNHNKRIPF-LBPRGKRZSA-N 0 3 298.770 1.668 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1[O-] ZINC000895326101 619564027 /nfs/dbraw/zinc/56/40/27/619564027.db2.gz ZNBZJXNHNKRIPF-LBPRGKRZSA-N 0 3 298.770 1.668 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC000895797276 619849936 /nfs/dbraw/zinc/84/99/36/619849936.db2.gz YVJMGBSHESBZOE-DOMZBBRYSA-N 0 3 296.436 1.584 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000809785509 1163092208 /nfs/dbraw/zinc/09/22/08/1163092208.db2.gz VLASNEUFDCWKAR-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000809785509 1163092214 /nfs/dbraw/zinc/09/22/14/1163092214.db2.gz VLASNEUFDCWKAR-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COCC[C@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877481364 1166046870 /nfs/dbraw/zinc/04/68/70/1166046870.db2.gz FNHSRVADIGAOOH-HNNXBMFYSA-N 0 3 265.353 1.986 20 10 CDCDHN Cc1ccc(C[NH2+]CCC2(O)CCOCC2)c([O-])c1 ZINC000877515849 1166050266 /nfs/dbraw/zinc/05/02/66/1166050266.db2.gz RBIDVZMPUCRQQX-UHFFFAOYSA-N 0 3 265.353 1.722 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccccc1[O-] ZINC000879648564 1166391583 /nfs/dbraw/zinc/39/15/83/1166391583.db2.gz UBUWNNPALYJHBA-MNOVXSKESA-N 0 3 286.335 1.860 20 10 CDCDHN CC(C)[N@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000126386644 1175460813 /nfs/dbraw/zinc/46/08/13/1175460813.db2.gz GZIPSXLGLBGEMD-UHFFFAOYSA-N 0 3 252.314 1.168 20 10 CDCDHN CC(C)[N@@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000126386644 1175460818 /nfs/dbraw/zinc/46/08/18/1175460818.db2.gz GZIPSXLGLBGEMD-UHFFFAOYSA-N 0 3 252.314 1.168 20 10 CDCDHN Cc1ccc(C[NH2+]C2(CCO)CCOCC2)c([O-])c1 ZINC000876876440 1165931295 /nfs/dbraw/zinc/93/12/95/1165931295.db2.gz FDZDHBNLLHTVLJ-UHFFFAOYSA-N 0 3 265.353 1.722 20 10 CDCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])C[C@H]2CCCCN12 ZINC000835075696 805088204 /nfs/dbraw/zinc/08/82/04/805088204.db2.gz ZOUIASPWPMMKFI-CHWSQXEVSA-N 0 3 260.337 1.635 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000839193086 811429109 /nfs/dbraw/zinc/42/91/09/811429109.db2.gz OLFSIHHUZINUTN-GXTWGEPZSA-N 0 3 268.332 1.395 20 10 CDCDHN CN1CC[C@@](O)(C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816570288 811853863 /nfs/dbraw/zinc/85/38/63/811853863.db2.gz PFZJDKSCRQCEKS-QGZVFWFLSA-N 0 3 286.375 1.702 20 10 CDCDHN CCN1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000846208380 812007039 /nfs/dbraw/zinc/00/70/39/812007039.db2.gz JBLJNJMBDRKVQW-YPMHNXCESA-N 0 3 274.364 1.838 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000886745230 812075147 /nfs/dbraw/zinc/07/51/47/812075147.db2.gz RKEXEXHEVXRKAO-GXSJLCMTSA-N 0 3 293.342 1.694 20 10 CDCDHN O=C(NCCC[NH+]1CCCC1)c1cccc(O)c1[O-] ZINC000126399177 812361639 /nfs/dbraw/zinc/36/16/39/812361639.db2.gz AOXDXPBYWWBXCM-UHFFFAOYSA-N 0 3 264.325 1.314 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1c([O-])cccc1F ZINC000886590148 812697202 /nfs/dbraw/zinc/69/72/02/812697202.db2.gz ORHSYBPKBMYDCJ-YGRLFVJLSA-N 0 3 268.332 1.249 20 10 CDCDHN CNC(=O)[C@H](CCSC)NCc1cccc(OC)c1O ZINC000808437184 812806325 /nfs/dbraw/zinc/80/63/25/812806325.db2.gz IGURYGCVEUMWRW-NSHDSACASA-N 0 3 298.408 1.358 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c([O-])c1 ZINC000785985295 812845355 /nfs/dbraw/zinc/84/53/55/812845355.db2.gz UMKCOFSLEHVOLA-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c([O-])c1 ZINC000785985295 812845357 /nfs/dbraw/zinc/84/53/57/812845357.db2.gz UMKCOFSLEHVOLA-SMDDNHRTSA-N 0 3 265.353 1.994 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000825197584 812858948 /nfs/dbraw/zinc/85/89/48/812858948.db2.gz ZTPRRGPTHISAPS-UKRRQHHQSA-N 0 3 282.359 1.785 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877589729 812866041 /nfs/dbraw/zinc/86/60/41/812866041.db2.gz KVKHCVPMHOFNCF-UHFFFAOYSA-N 0 3 277.368 1.594 20 10 CDCDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000876995620 812953967 /nfs/dbraw/zinc/95/39/67/812953967.db2.gz IDYXBNGMZONGPG-HNNXBMFYSA-N 0 3 265.353 1.923 20 10 CDCDHN COCC(COC)NCc1ccc2c(c1)CCO2 ZINC000388426420 813468562 /nfs/dbraw/zinc/46/85/62/813468562.db2.gz KONGNOQEKSHXPW-UHFFFAOYSA-N 0 3 251.326 1.373 20 10 CDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924209 1166798023 /nfs/dbraw/zinc/79/80/23/1166798023.db2.gz SZAPMKUPZICXNA-GHMZBOCLSA-N 0 3 278.352 1.587 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000877628490 813835604 /nfs/dbraw/zinc/83/56/04/813835604.db2.gz IKZQDPSNUFPMKU-OCCSQVGLSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000877628490 813835605 /nfs/dbraw/zinc/83/56/05/813835605.db2.gz IKZQDPSNUFPMKU-OCCSQVGLSA-N 0 3 274.364 1.801 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000230663339 813842105 /nfs/dbraw/zinc/84/21/05/813842105.db2.gz NXMKQKPNDFBWNO-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000835060434 813901707 /nfs/dbraw/zinc/90/17/07/813901707.db2.gz LRIMVGAAUIAQGI-AWEZNQCLSA-N 0 3 298.770 1.813 20 10 CDCDHN COCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097779 813997889 /nfs/dbraw/zinc/99/78/89/813997889.db2.gz SENPMKXGUHEPAS-CQSZACIVSA-N 0 3 279.384 1.118 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000169092044 814007144 /nfs/dbraw/zinc/00/71/44/814007144.db2.gz CSCVATGRFCIMSU-SSDOTTSWSA-N 0 3 272.732 1.408 20 10 CDCDHN CN(C)c1cc(F)c(CNCC2(CO)COC2)cc1F ZINC000858152768 814096330 /nfs/dbraw/zinc/09/63/30/814096330.db2.gz CBCPOCXPNCCTPE-UHFFFAOYSA-N 0 3 286.322 1.129 20 10 CDCDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825104353 814178755 /nfs/dbraw/zinc/17/87/55/814178755.db2.gz UXZGDVMDMDEQFE-MLGOLLRUSA-N 0 3 294.370 1.617 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000835075358 814194046 /nfs/dbraw/zinc/19/40/46/814194046.db2.gz WYOZNEARKHWDAX-JKSUJKDBSA-N 0 3 287.407 1.996 20 10 CDCDHN COCCNC(=O)C1(NCc2cccc(C)c2O)CC1 ZINC000839191770 814323755 /nfs/dbraw/zinc/32/37/55/814323755.db2.gz FCIMXDFZMNYHFR-UHFFFAOYSA-N 0 3 278.352 1.085 20 10 CDCDHN CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccccc1[O-] ZINC000839193590 814708503 /nfs/dbraw/zinc/70/85/03/814708503.db2.gz TWHGRBNRHHYNNJ-ZDUSSCGKSA-N 0 3 292.379 1.728 20 10 CDCDHN COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648870 816829484 /nfs/dbraw/zinc/82/94/84/816829484.db2.gz FKMYJCDJYIBMAG-NEPJUHHUSA-N 0 3 280.368 1.584 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c([O-])c1 ZINC000791007014 816865244 /nfs/dbraw/zinc/86/52/44/816865244.db2.gz FZWLMSGIGHIMEM-JTQLQIEISA-N 0 3 266.341 1.357 20 10 CDCDHN CCc1nncn1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834606191 817395060 /nfs/dbraw/zinc/39/50/60/817395060.db2.gz FSCDAXAIUABMME-GFCCVEGCSA-N 0 3 272.352 1.823 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000783714800 817768574 /nfs/dbraw/zinc/76/85/74/817768574.db2.gz DGZUFHKGAMUUSB-GFCCVEGCSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000783714800 817768586 /nfs/dbraw/zinc/76/85/86/817768586.db2.gz DGZUFHKGAMUUSB-GFCCVEGCSA-N 0 3 281.352 1.638 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877120741 817840293 /nfs/dbraw/zinc/84/02/93/817840293.db2.gz UPTYAZKEIBYAMV-STQMWFEESA-N 0 3 262.353 1.705 20 10 CDCDHN CCCN1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104122 912933823 /nfs/dbraw/zinc/93/38/23/912933823.db2.gz QHHGKISLKBLKLZ-LBPRGKRZSA-N 0 3 293.367 1.313 20 10 CDCDHN COC(=O)[C@@H](C)CN1CCCc2cc(O)c(O)cc2C1 ZINC001208722076 894242648 /nfs/dbraw/zinc/24/26/48/894242648.db2.gz DDVJNGFOMNESPH-JTQLQIEISA-N 0 3 279.336 1.655 20 10 CDCDHN COC[C@]1(C(=O)NCc2ccccc2O)CCCCN1 ZINC000692202067 900205287 /nfs/dbraw/zinc/20/52/87/900205287.db2.gz CWVUOVSGQDVIRL-HNNXBMFYSA-N 0 3 278.352 1.167 20 10 CDCDHN O=C1CC[C@@H]2C[C@H]([N@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181877 911445187 /nfs/dbraw/zinc/44/51/87/911445187.db2.gz HZXBTUBZHGQAAC-ZIAGYGMSSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1CC[C@@H]2C[C@H]([N@@H+]3CCc4cccc([O-])c4C3)CCN12 ZINC001172181877 911445199 /nfs/dbraw/zinc/44/51/99/911445199.db2.gz HZXBTUBZHGQAAC-ZIAGYGMSSA-N 0 3 286.375 1.904 20 10 CDCDHN OC[C@@H]1C[C@@](O)(C(F)(F)F)CN1Cc1ccccc1O ZINC001203550383 919306910 /nfs/dbraw/zinc/30/69/10/919306910.db2.gz UHQGADXGIZPBIG-JQWIXIFHSA-N 0 3 291.269 1.252 20 10 CDCDHN Cc1c(O)ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC001140749218 936749431 /nfs/dbraw/zinc/74/94/31/936749431.db2.gz RSVGDWLPWBOYCG-OAHLLOKOSA-N 0 3 292.335 1.481 20 10 CDCDHN O=C(NC1CC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001191504141 922634435 /nfs/dbraw/zinc/63/44/35/922634435.db2.gz RAVRCCYKIYMBNQ-UHFFFAOYSA-N 0 3 289.379 1.818 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(CO)C2)c(OC)c1 ZINC001141031975 936795587 /nfs/dbraw/zinc/79/55/87/936795587.db2.gz PAGNBGVYMVYHIJ-HNNXBMFYSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(CO)C2)c(OC)c1 ZINC001141031975 936795589 /nfs/dbraw/zinc/79/55/89/936795589.db2.gz PAGNBGVYMVYHIJ-HNNXBMFYSA-N 0 3 281.352 1.614 20 10 CDCDHN CN1CCOc2cc(CN3CC(C4COC4)C3)ccc21 ZINC001141140299 936818418 /nfs/dbraw/zinc/81/84/18/936818418.db2.gz KGJAHPFTXXNQGG-UHFFFAOYSA-N 0 3 274.364 1.593 20 10 CDCDHN CCC(=O)N(C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162461 936823255 /nfs/dbraw/zinc/82/32/55/936823255.db2.gz SJERLULLAVWHAK-UHFFFAOYSA-N 0 3 292.379 1.931 20 10 CDCDHN CCc1cccc(CNCC(=O)NCC2CC2)c1O ZINC000691457018 928880000 /nfs/dbraw/zinc/88/00/00/928880000.db2.gz YJNVCQKRICXLBL-UHFFFAOYSA-N 0 3 262.353 1.570 20 10 CDCDHN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000858579172 928890957 /nfs/dbraw/zinc/89/09/57/928890957.db2.gz NLJAPNKYKNAZOH-IUCAKERBSA-N 0 3 270.304 1.590 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697579822 937284350 /nfs/dbraw/zinc/28/43/50/937284350.db2.gz OIZLBUXYXLFFQB-CMPLNLGQSA-N 0 3 271.382 1.866 20 10 CDCDHN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([O-])cs3)C[C@H]21 ZINC000861912126 929351594 /nfs/dbraw/zinc/35/15/94/929351594.db2.gz KXPBCNVJUZTQFU-JZYVYDRUSA-N 0 3 252.339 1.086 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000798958688 937371786 /nfs/dbraw/zinc/37/17/86/937371786.db2.gz IDWBMQQBJBQDHN-PWSUYJOCSA-N 0 3 292.335 1.331 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000798958688 937371789 /nfs/dbraw/zinc/37/17/89/937371789.db2.gz IDWBMQQBJBQDHN-PWSUYJOCSA-N 0 3 292.335 1.331 20 10 CDCDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NC ZINC000825316872 931500458 /nfs/dbraw/zinc/50/04/58/931500458.db2.gz WLEZECDCFRRAJN-GFCCVEGCSA-N 0 3 267.348 1.506 20 10 CDCDHN COc1ccc(C[N@@H+]2CCCC3(CN(C)C3)C2)c([O-])c1 ZINC001275276387 931721142 /nfs/dbraw/zinc/72/11/42/931721142.db2.gz XASDYROLFWQJTA-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN COc1ccc(C[N@H+]2CCCC3(CN(C)C3)C2)c([O-])c1 ZINC001275276387 931721145 /nfs/dbraw/zinc/72/11/45/931721145.db2.gz XASDYROLFWQJTA-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN CNc1ccccc1NCc1nnn2c1CNCCC2 ZINC001162979285 939167778 /nfs/dbraw/zinc/16/77/78/939167778.db2.gz NNBHUWQICHCVAF-UHFFFAOYSA-N 0 3 272.356 1.425 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001203562696 939693508 /nfs/dbraw/zinc/69/35/08/939693508.db2.gz OPQQSARMAVWCNF-ZDUSSCGKSA-N 0 3 271.320 1.836 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001203562696 939693509 /nfs/dbraw/zinc/69/35/09/939693509.db2.gz OPQQSARMAVWCNF-ZDUSSCGKSA-N 0 3 271.320 1.836 20 10 CDCDHN CCOc1cccc(CN(C)CC(OC)OC)c1O ZINC001203613627 939696576 /nfs/dbraw/zinc/69/65/76/939696576.db2.gz CJNVUKRZOHICLA-UHFFFAOYSA-N 0 3 269.341 1.842 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001203620998 939697045 /nfs/dbraw/zinc/69/70/45/939697045.db2.gz MVRSDOZEDGKFRB-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001203620998 939697047 /nfs/dbraw/zinc/69/70/47/939697047.db2.gz MVRSDOZEDGKFRB-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN C[C@@H]1CCCN(Cc2ccc(O)c(O)c2)[C@@H]1CO ZINC001203874634 939710534 /nfs/dbraw/zinc/71/05/34/939710534.db2.gz AUZOIVLAQSKIAR-ZYHUDNBSSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001219659336 941372946 /nfs/dbraw/zinc/37/29/46/941372946.db2.gz WDZBYOZLUPTUFH-VHSXEESVSA-N 0 3 264.325 1.073 20 10 CDCDHN NC(=O)[C@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277440771 942574948 /nfs/dbraw/zinc/57/49/48/942574948.db2.gz DRTZZXKXEARLBU-LLVKDONJSA-N 0 3 278.377 1.185 20 10 CDCDHN NC(=O)[C@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440771 942574952 /nfs/dbraw/zinc/57/49/52/942574952.db2.gz DRTZZXKXEARLBU-LLVKDONJSA-N 0 3 278.377 1.185 20 10 CDCDHN O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001277445466 942584313 /nfs/dbraw/zinc/58/43/13/942584313.db2.gz GTXCFJOCVHWCLC-PBHICJAKSA-N 0 3 284.359 1.755 20 10 CDCDHN O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001277445466 942584318 /nfs/dbraw/zinc/58/43/18/942584318.db2.gz GTXCFJOCVHWCLC-PBHICJAKSA-N 0 3 284.359 1.755 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@@H](O)C1 ZINC001231847779 943028154 /nfs/dbraw/zinc/02/81/54/943028154.db2.gz CWKUNGKVMNNKJQ-DOMZBBRYSA-N 0 3 278.396 1.964 20 10 CDCDHN CO[C@H](C)C1CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487128 943595767 /nfs/dbraw/zinc/59/57/67/943595767.db2.gz RCPQTHLNAPFNBX-MRVPVSSYSA-N 0 3 253.298 1.270 20 10 CDCDHN [O-]c1cc(Cl)c(F)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234995605 944002629 /nfs/dbraw/zinc/00/26/29/944002629.db2.gz XUAZBCCWGNUUMO-CQSZACIVSA-N 0 3 299.777 1.322 20 10 CDCDHN [O-]c1cc(Cl)c(F)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234995604 944003573 /nfs/dbraw/zinc/00/35/73/944003573.db2.gz XUAZBCCWGNUUMO-AWEZNQCLSA-N 0 3 299.777 1.322 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235079134 944046527 /nfs/dbraw/zinc/04/65/27/944046527.db2.gz PGTUSFSNRTUBNB-VXGBXAGGSA-N 0 3 282.771 1.990 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001236031455 944385673 /nfs/dbraw/zinc/38/56/73/944385673.db2.gz XNUYUHQSAIRSIE-PRHODGIISA-N 0 3 283.169 1.688 20 10 CDCDHN [O-]c1c(CN2C[C@H]3C[NH2+]C[C@H]32)ccc2ccccc21 ZINC001236288841 944447322 /nfs/dbraw/zinc/44/73/22/944447322.db2.gz JCDYEMOEMOPJRJ-UKRRQHHQSA-N 0 3 254.333 1.949 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001236811243 944576743 /nfs/dbraw/zinc/57/67/43/944576743.db2.gz MRQKYNIBDIURTH-RISCZKNCSA-N 0 3 290.363 1.229 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001236811243 944576746 /nfs/dbraw/zinc/57/67/46/944576746.db2.gz MRQKYNIBDIURTH-RISCZKNCSA-N 0 3 290.363 1.229 20 10 CDCDHN OC[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119728 944661196 /nfs/dbraw/zinc/66/11/96/944661196.db2.gz FEDNSYGZTNYBAU-KCJUWKMLSA-N 0 3 289.734 1.360 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001238065726 945047174 /nfs/dbraw/zinc/04/71/74/945047174.db2.gz ZUWITWLHBYHVGO-ZFWWWQNUSA-N 0 3 283.343 1.405 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001238065724 945048304 /nfs/dbraw/zinc/04/83/04/945048304.db2.gz ZUWITWLHBYHVGO-HIFRSBDPSA-N 0 3 283.343 1.405 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001249171513 949436397 /nfs/dbraw/zinc/43/63/97/949436397.db2.gz CYODEXKBWISFOK-INIZCTEOSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001249171513 949436407 /nfs/dbraw/zinc/43/64/07/949436407.db2.gz CYODEXKBWISFOK-INIZCTEOSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249173656 949443459 /nfs/dbraw/zinc/44/34/59/949443459.db2.gz UUXBISHRSBPJBI-MFKMUULPSA-N 0 3 279.336 1.063 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249173656 949443467 /nfs/dbraw/zinc/44/34/67/949443467.db2.gz UUXBISHRSBPJBI-MFKMUULPSA-N 0 3 279.336 1.063 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC001252654577 951542488 /nfs/dbraw/zinc/54/24/88/951542488.db2.gz CEVWKAQPWMGYQE-ZDUSSCGKSA-N 0 3 293.319 1.358 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1[O-] ZINC000848562499 969174086 /nfs/dbraw/zinc/17/40/86/969174086.db2.gz DTDFSVJMBHREPS-ONGXEEELSA-N 0 3 290.342 1.868 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCCOC ZINC000295086297 199337694 /nfs/dbraw/zinc/33/76/94/199337694.db2.gz RRPQKKQPVWATHX-HNNXBMFYSA-N 0 3 297.395 1.628 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCCOC ZINC000295086297 199337696 /nfs/dbraw/zinc/33/76/96/199337696.db2.gz RRPQKKQPVWATHX-HNNXBMFYSA-N 0 3 297.395 1.628 20 10 CDCDHN COc1cccc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000295124864 199358139 /nfs/dbraw/zinc/35/81/39/199358139.db2.gz NTVXABGPUHFNNL-LBPRGKRZSA-N 0 3 294.351 1.673 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)c([O-])c1 ZINC000036781430 356883610 /nfs/dbraw/zinc/88/36/10/356883610.db2.gz FGQWKQXTMMGAMW-NSHDSACASA-N 0 3 250.342 1.876 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189965041 358046990 /nfs/dbraw/zinc/04/69/90/358046990.db2.gz GOGZXZJZMHLZBR-KGLIPLIRSA-N 0 3 281.352 1.658 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000281567905 363814843 /nfs/dbraw/zinc/81/48/43/363814843.db2.gz KGXRHSIAQCVCIR-GHMZBOCLSA-N 0 3 269.341 1.449 20 10 CDCDHN C[S@@](=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000282279907 364030677 /nfs/dbraw/zinc/03/06/77/364030677.db2.gz IBVHNQRNXCEXQY-GOSISDBHSA-N 0 3 265.378 1.622 20 10 CDCDHN CC[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000269239124 364166384 /nfs/dbraw/zinc/16/63/84/364166384.db2.gz AJHLDVZQILQGCF-ZDUSSCGKSA-N 0 3 295.358 1.220 20 10 CDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267755 299345839 /nfs/dbraw/zinc/34/58/39/299345839.db2.gz FBFQDOKRBYBIGF-RYUDHWBXSA-N 0 3 263.385 1.880 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271076288 364908992 /nfs/dbraw/zinc/90/89/92/364908992.db2.gz HAWVTBXKJQWNRF-JTQLQIEISA-N 0 3 297.351 1.650 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271076288 364908995 /nfs/dbraw/zinc/90/89/95/364908995.db2.gz HAWVTBXKJQWNRF-JTQLQIEISA-N 0 3 297.351 1.650 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000168413507 364985054 /nfs/dbraw/zinc/98/50/54/364985054.db2.gz ZIKOZSZVSGDNLJ-VVVCHXIZSA-N 0 3 257.355 1.257 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC2CC2)c1 ZINC000182404918 365116925 /nfs/dbraw/zinc/11/69/25/365116925.db2.gz HSKRCYNRNFGRSK-JTQLQIEISA-N 0 3 278.352 1.578 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CC(C)(C)OCCO)c1 ZINC000288373657 369439291 /nfs/dbraw/zinc/43/92/91/369439291.db2.gz FJECLNDCQKHFFV-UHFFFAOYSA-N 0 3 283.368 1.668 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000273739666 371176781 /nfs/dbraw/zinc/17/67/81/371176781.db2.gz LQRMWEOMFYVHIM-JTQLQIEISA-N 0 3 284.743 1.375 20 10 CDCDHN CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000186299839 378846865 /nfs/dbraw/zinc/84/68/65/378846865.db2.gz MRFQEZFFZWZTEZ-GXTWGEPZSA-N 0 3 251.326 1.584 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000092764410 390896612 /nfs/dbraw/zinc/89/66/12/390896612.db2.gz OCQFVQXARGAINP-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000092764410 390896613 /nfs/dbraw/zinc/89/66/13/390896613.db2.gz OCQFVQXARGAINP-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000062745042 391101857 /nfs/dbraw/zinc/10/18/57/391101857.db2.gz VZNQQPUIRCOEOH-ZDUSSCGKSA-N 0 3 295.402 1.819 20 10 CDCDHN CC[C@H]([NH2+][C@@H](CCO)COC)c1ccccc1[O-] ZINC000229556265 391137162 /nfs/dbraw/zinc/13/71/62/391137162.db2.gz LOMSFTVMJRKKBF-AAEUAGOBSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000176752881 391157423 /nfs/dbraw/zinc/15/74/23/391157423.db2.gz WYRJIFAWKQBXGU-CYBMUJFWSA-N 0 3 269.366 1.358 20 10 CDCDHN COCC[N@H+](C)CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000181962892 391229083 /nfs/dbraw/zinc/22/90/83/391229083.db2.gz RNDKJHLPUUHDHP-UHFFFAOYSA-N 0 3 296.367 1.104 20 10 CDCDHN COCC[N@@H+](C)CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000181962892 391229086 /nfs/dbraw/zinc/22/90/86/391229086.db2.gz RNDKJHLPUUHDHP-UHFFFAOYSA-N 0 3 296.367 1.104 20 10 CDCDHN CCOc1cccc(C[NH2+]CC[C@H](O)COC)c1[O-] ZINC000153754842 392404651 /nfs/dbraw/zinc/40/46/51/392404651.db2.gz BXHLBQPNJQUSHM-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417833 261101524 /nfs/dbraw/zinc/10/15/24/261101524.db2.gz NASYNRVELQKRSA-PWSUYJOCSA-N 0 3 279.336 1.856 20 10 CDCDHN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000155417833 261101525 /nfs/dbraw/zinc/10/15/25/261101525.db2.gz NASYNRVELQKRSA-PWSUYJOCSA-N 0 3 279.336 1.856 20 10 CDCDHN COc1cc(O)c(CN(C)[C@@H]2CCOC2)cc1OC ZINC000160161617 261207004 /nfs/dbraw/zinc/20/70/04/261207004.db2.gz XLVMXRWIPTUQHV-LLVKDONJSA-N 0 3 267.325 1.630 20 10 CDCDHN CC[C@@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000164797213 261359058 /nfs/dbraw/zinc/35/90/58/261359058.db2.gz SRYVUCGKJVKYFF-CQSZACIVSA-N 0 3 284.425 1.838 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638687 262063400 /nfs/dbraw/zinc/06/34/00/262063400.db2.gz KOMBBFOKVMFHOA-YGRLFVJLSA-N 0 3 283.393 1.919 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367703411 267110740 /nfs/dbraw/zinc/11/07/40/267110740.db2.gz JCIDIGONQFPCLL-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367703411 267110743 /nfs/dbraw/zinc/11/07/43/267110743.db2.gz JCIDIGONQFPCLL-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367703410 267111445 /nfs/dbraw/zinc/11/14/45/267111445.db2.gz JCIDIGONQFPCLL-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367703410 267111443 /nfs/dbraw/zinc/11/14/43/267111443.db2.gz JCIDIGONQFPCLL-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368971714 267215725 /nfs/dbraw/zinc/21/57/25/267215725.db2.gz CUWPPFYGUKTQIS-VHRBIJSZSA-N 0 3 290.363 1.487 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000373739384 267706694 /nfs/dbraw/zinc/70/66/94/267706694.db2.gz XFYHGNGIIRHNGN-NJZAAPMLSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000373739384 267706697 /nfs/dbraw/zinc/70/66/97/267706697.db2.gz XFYHGNGIIRHNGN-NJZAAPMLSA-N 0 3 274.364 1.786 20 10 CDCDHN C[NH+](C)C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128155140 273801739 /nfs/dbraw/zinc/80/17/39/273801739.db2.gz DXVRWNXTVLOAMC-NSHDSACASA-N 0 3 284.787 1.808 20 10 CDCDHN C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296409292 279374846 /nfs/dbraw/zinc/37/48/46/279374846.db2.gz KUESNOZDRRGGON-MIHTYCSTSA-N 0 3 253.367 1.736 20 10 CDCDHN CC[C@](C)(CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000080886466 330350160 /nfs/dbraw/zinc/35/01/60/330350160.db2.gz MXYLYANQRZKGHO-CYBMUJFWSA-N 0 3 253.298 1.372 20 10 CDCDHN COC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230935428 333322671 /nfs/dbraw/zinc/32/26/71/333322671.db2.gz UKQIDKPKXAAQDJ-LLVKDONJSA-N 0 3 289.759 1.541 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc(OC)ccc1O ZINC000188468646 520200325 /nfs/dbraw/zinc/20/03/25/520200325.db2.gz DFESZYBBRXTLNQ-SNVBAGLBSA-N 0 3 266.341 1.357 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])[C@H]1OC ZINC000274847462 520370104 /nfs/dbraw/zinc/37/01/04/520370104.db2.gz AIXZQKBFTZGVBO-UMVBOHGHSA-N 0 3 265.353 1.983 20 10 CDCDHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823758 522364147 /nfs/dbraw/zinc/36/41/47/522364147.db2.gz XWUDTMQVKVYWJX-MFKMUULPSA-N 0 3 250.342 1.724 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCCCCO)cc1OC ZINC000193161408 522777012 /nfs/dbraw/zinc/77/70/12/522777012.db2.gz DFXJZTXZYBYXAY-UHFFFAOYSA-N 0 3 269.341 1.662 20 10 CDCDHN COc1cccc(CN2CCN(C(C)C)CC2)c1O ZINC000132266836 525946337 /nfs/dbraw/zinc/94/63/37/525946337.db2.gz LWNXSYWSKMMHAU-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC(O)C1 ZINC000761224409 576560992 /nfs/dbraw/zinc/56/09/92/576560992.db2.gz ZZFHXZPTBSPQBI-UHFFFAOYSA-N 0 3 294.370 1.617 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000754888695 576921133 /nfs/dbraw/zinc/92/11/33/576921133.db2.gz FNDFUKGSDIPWBF-LBPRGKRZSA-N 0 3 299.392 1.458 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000756554564 576995304 /nfs/dbraw/zinc/99/53/04/576995304.db2.gz IIPNLLLUEPQFPK-SWLSCSKDSA-N 0 3 292.423 1.844 20 10 CDCDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[O-] ZINC000757926022 577060966 /nfs/dbraw/zinc/06/09/66/577060966.db2.gz JEQGFEZCYSKGFT-AWEZNQCLSA-N 0 3 267.325 1.450 20 10 CDCDHN CC1(C)OCC(NCc2ccc3c(c2)CCO3)CO1 ZINC000758012112 577067099 /nfs/dbraw/zinc/06/70/99/577067099.db2.gz MFHRSHDMBHMUOJ-UHFFFAOYSA-N 0 3 263.337 1.863 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN2CCC2)c([O-])c1 ZINC000752107029 577089536 /nfs/dbraw/zinc/08/95/36/577089536.db2.gz NYBQLQWLXUWHIL-UHFFFAOYSA-N 0 3 250.342 1.586 20 10 CDCDHN COc1ccc(CN2C[C@@H](OC)[C@@H](OC)C2)c(O)c1OC ZINC000894004952 618243327 /nfs/dbraw/zinc/24/33/27/618243327.db2.gz DJBSEIMGXJWKCQ-BETUJISGSA-N 0 3 297.351 1.255 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000894184542 618671323 /nfs/dbraw/zinc/67/13/23/618671323.db2.gz BBPBOWNJYKVZTP-CMPLNLGQSA-N 0 3 299.392 1.314 20 10 CDCDHN [O-]c1c(Br)cccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841041669 618677024 /nfs/dbraw/zinc/67/70/24/618677024.db2.gz DGOUQGOUJMQOPP-SNVBAGLBSA-N 0 3 285.185 1.996 20 10 CDCDHN CCOc1ccc(C[NH2+]C2(C)CN(C(=O)OC)C2)c([O-])c1 ZINC000894543385 618953497 /nfs/dbraw/zinc/95/34/97/618953497.db2.gz WQXQGZXHWNWPKI-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN CCOc1ccc(CNC2(C)CN(C(=O)OC)C2)c(O)c1 ZINC000894543385 618953500 /nfs/dbraw/zinc/95/35/00/618953500.db2.gz WQXQGZXHWNWPKI-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2C(=O)NCC2(C)C)c1 ZINC000895315317 619543987 /nfs/dbraw/zinc/54/39/87/619543987.db2.gz DICAYKUCFUXZBK-LBPRGKRZSA-N 0 3 264.325 1.015 20 10 CDCDHN COc1cc(O)c(CN[C@@H]2C(=O)NCC2(C)C)cc1OC ZINC000895315627 619545338 /nfs/dbraw/zinc/54/53/38/619545338.db2.gz IBEKHPBGHZSGQJ-CYBMUJFWSA-N 0 3 294.351 1.024 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895324458 619561299 /nfs/dbraw/zinc/56/12/99/619561299.db2.gz KSTZPWGPKFIVHX-OCCSQVGLSA-N 0 3 251.326 1.018 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895324458 619561300 /nfs/dbraw/zinc/56/13/00/619561300.db2.gz KSTZPWGPKFIVHX-OCCSQVGLSA-N 0 3 251.326 1.018 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896379678 620073293 /nfs/dbraw/zinc/07/32/93/620073293.db2.gz CYNIQPRUFTYUMR-LBPRGKRZSA-N 0 3 263.337 1.895 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896379678 620073295 /nfs/dbraw/zinc/07/32/95/620073295.db2.gz CYNIQPRUFTYUMR-LBPRGKRZSA-N 0 3 263.337 1.895 20 10 CDCDHN CN1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000921813229 633316255 /nfs/dbraw/zinc/31/62/55/633316255.db2.gz CSDUUSFIVJMJQO-CQSZACIVSA-N 0 3 274.364 1.722 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)C(C)C ZINC000808421399 1162852252 /nfs/dbraw/zinc/85/22/52/1162852252.db2.gz FQYMDAGVHYNZBK-LLVKDONJSA-N 0 3 253.342 1.755 20 10 CDCDHN CN(C)C(=O)OCCN(C)Cc1ccccc1O ZINC000159134484 1178236499 /nfs/dbraw/zinc/23/64/99/1178236499.db2.gz WCVSTUCTMBZNLJ-UHFFFAOYSA-N 0 3 252.314 1.522 20 10 CDCDHN CN(C)C(=O)OCC[N@H+](C)Cc1ccccc1[O-] ZINC000159134484 1178236506 /nfs/dbraw/zinc/23/65/06/1178236506.db2.gz WCVSTUCTMBZNLJ-UHFFFAOYSA-N 0 3 252.314 1.522 20 10 CDCDHN CN(C)C(=O)OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000159134484 1178236514 /nfs/dbraw/zinc/23/65/14/1178236514.db2.gz WCVSTUCTMBZNLJ-UHFFFAOYSA-N 0 3 252.314 1.522 20 10 CDCDHN [O-]c1cccc(Cl)c1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087237 818026336 /nfs/dbraw/zinc/02/63/36/818026336.db2.gz RZVPKJGLOTTZFD-JTQLQIEISA-N 0 3 270.760 1.514 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000382576607 818287282 /nfs/dbraw/zinc/28/72/82/818287282.db2.gz UGCSOLDHPIGHFM-FZMZJTMJSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1[O-] ZINC000879649123 818330849 /nfs/dbraw/zinc/33/08/49/818330849.db2.gz MHFFZIZBGLDQCO-SECBINFHSA-N 0 3 277.324 1.031 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCCOCC2)c([O-])c1 ZINC000877527665 818535795 /nfs/dbraw/zinc/53/57/95/818535795.db2.gz NHTQIIJWXRKURN-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN CN(C)c1ccc(CN(C)CC(C)(CO)CO)cc1F ZINC000128057069 818620341 /nfs/dbraw/zinc/62/03/41/818620341.db2.gz FOHOBJLAEQPCCA-UHFFFAOYSA-N 0 3 284.375 1.314 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877561269 818690927 /nfs/dbraw/zinc/69/09/27/818690927.db2.gz DIWZMZNHBRCFNF-LBPRGKRZSA-N 0 3 286.397 1.118 20 10 CDCDHN Cc1ccc(C[NH2+]CCNC(=O)c2ccco2)c([O-])c1 ZINC000876909688 818728893 /nfs/dbraw/zinc/72/88/93/818728893.db2.gz FKKXWUVJRUKTLA-UHFFFAOYSA-N 0 3 274.320 1.813 20 10 CDCDHN C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000819923194 818830200 /nfs/dbraw/zinc/83/02/00/818830200.db2.gz WYOLFXQWVZBJSC-NSHDSACASA-N 0 3 292.379 1.900 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c([O-])c1 ZINC000877493156 818863139 /nfs/dbraw/zinc/86/31/39/818863139.db2.gz HICZICCLEVNJDM-WCQYABFASA-N 0 3 292.379 1.938 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858546948 818941519 /nfs/dbraw/zinc/94/15/19/818941519.db2.gz BJFPSVWJTNVURJ-DMDPSCGWSA-N 0 3 294.370 1.736 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2C)c1[O-] ZINC000843347804 819132148 /nfs/dbraw/zinc/13/21/48/819132148.db2.gz OFOAUKRHSROBPO-VIFPVBQESA-N 0 3 266.316 1.528 20 10 CDCDHN CCOc1ccc(C[NH2+]C2([C@@H](C)O)CC2)c([O-])c1 ZINC000827579521 819163394 /nfs/dbraw/zinc/16/33/94/819163394.db2.gz FLKXTRPWOAYNDR-SNVBAGLBSA-N 0 3 251.326 1.794 20 10 CDCDHN C[NH+](C)C[C@@](C)(O)CNCc1cc(F)cc(F)c1[O-] ZINC000708534561 819203885 /nfs/dbraw/zinc/20/38/85/819203885.db2.gz AHLDGBNUOGFDPW-ZDUSSCGKSA-N 0 3 274.311 1.073 20 10 CDCDHN CN(CCCCS(C)(=O)=O)Cc1ccccc1O ZINC000163015834 819206476 /nfs/dbraw/zinc/20/64/76/819206476.db2.gz SCXFPIKMALFBDR-UHFFFAOYSA-N 0 3 271.382 1.649 20 10 CDCDHN CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000809768645 819346059 /nfs/dbraw/zinc/34/60/59/819346059.db2.gz RPDMGOXESLOVBR-CYBMUJFWSA-N 0 3 271.332 1.749 20 10 CDCDHN CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000809768645 819346065 /nfs/dbraw/zinc/34/60/65/819346065.db2.gz RPDMGOXESLOVBR-CYBMUJFWSA-N 0 3 271.332 1.749 20 10 CDCDHN CCN(C)C(=O)CNCc1ccc(N2CCOCC2)cc1 ZINC000185177438 819470309 /nfs/dbraw/zinc/47/03/09/819470309.db2.gz ZORZGLMQOBWCOC-UHFFFAOYSA-N 0 3 291.395 1.091 20 10 CDCDHN COc1cc(O)c(CN2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783738994 819485678 /nfs/dbraw/zinc/48/56/78/819485678.db2.gz DQSKYJJPXPUWPF-ABAIWWIYSA-N 0 3 279.336 1.224 20 10 CDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817896705 819574644 /nfs/dbraw/zinc/57/46/44/819574644.db2.gz QBZDZQXVJHIJGW-HUUCEWRRSA-N 0 3 291.395 1.136 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@@H](N2CCOC2=O)C1 ZINC000826994571 819800860 /nfs/dbraw/zinc/80/08/60/819800860.db2.gz KWHUXCXVIJIRND-LLVKDONJSA-N 0 3 292.335 1.427 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826994571 819800862 /nfs/dbraw/zinc/80/08/62/819800862.db2.gz KWHUXCXVIJIRND-LLVKDONJSA-N 0 3 292.335 1.427 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826994571 819800863 /nfs/dbraw/zinc/80/08/63/819800863.db2.gz KWHUXCXVIJIRND-LLVKDONJSA-N 0 3 292.335 1.427 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000857062150 819876020 /nfs/dbraw/zinc/87/60/20/819876020.db2.gz YRVRYROPGWHQKS-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000857062150 819876021 /nfs/dbraw/zinc/87/60/21/819876021.db2.gz YRVRYROPGWHQKS-NEPJUHHUSA-N 0 3 265.353 1.851 20 10 CDCDHN C[C@@H]([NH2+]C1CCNCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817936733 820155914 /nfs/dbraw/zinc/15/59/14/820155914.db2.gz QSBZWNVXDMWZOA-SECBINFHSA-N 0 3 265.313 1.703 20 10 CDCDHN C[C@@H](NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817936733 820155934 /nfs/dbraw/zinc/15/59/34/820155934.db2.gz QSBZWNVXDMWZOA-SECBINFHSA-N 0 3 265.313 1.703 20 10 CDCDHN COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648872 820821035 /nfs/dbraw/zinc/82/10/35/820821035.db2.gz FKMYJCDJYIBMAG-VXGBXAGGSA-N 0 3 280.368 1.584 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883404218 820884526 /nfs/dbraw/zinc/88/45/26/820884526.db2.gz TYVWUUADDLXRAZ-HNNXBMFYSA-N 0 3 287.407 1.853 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838911906 821751864 /nfs/dbraw/zinc/75/18/64/821751864.db2.gz BSIAGQJKUAXLQK-DGCLKSJQSA-N 0 3 262.353 1.959 20 10 CDCDHN CN1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779516150 821804472 /nfs/dbraw/zinc/80/44/72/821804472.db2.gz VGVANUPAVQXSES-PZBABLGHSA-N 0 3 276.336 1.321 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1c([O-])cccc1F ZINC000886524337 821861956 /nfs/dbraw/zinc/86/19/56/821861956.db2.gz ISLXPONXEYVKGQ-VHSXEESVSA-N 0 3 256.321 1.104 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Cl)cc1[O-] ZINC000841765272 821864029 /nfs/dbraw/zinc/86/40/29/821864029.db2.gz WYTLMGVPBKQZRF-MWLCHTKSSA-N 0 3 272.776 1.619 20 10 CDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncnn1C ZINC000877591527 821876226 /nfs/dbraw/zinc/87/62/26/821876226.db2.gz DZOBVEVOWQTBJV-CYBMUJFWSA-N 0 3 287.411 1.910 20 10 CDCDHN CCNC(=O)CNCc1cccc(OCC)c1O ZINC000036780425 822073822 /nfs/dbraw/zinc/07/38/22/822073822.db2.gz PIOBYRWQANDINQ-UHFFFAOYSA-N 0 3 252.314 1.017 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000872141038 822089910 /nfs/dbraw/zinc/08/99/10/822089910.db2.gz IVTVOBCKNLZANU-YRGRVCCFSA-N 0 3 251.326 1.583 20 10 CDCDHN COc1ccc(CNCc2cc(C(N)=O)cs2)c(O)c1 ZINC000793385450 822383677 /nfs/dbraw/zinc/38/36/77/822383677.db2.gz BATMBWGSGZRGMX-UHFFFAOYSA-N 0 3 292.360 1.851 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)c([O-])c1 ZINC000793385450 822383683 /nfs/dbraw/zinc/38/36/83/822383683.db2.gz BATMBWGSGZRGMX-UHFFFAOYSA-N 0 3 292.360 1.851 20 10 CDCDHN C[C@H](Nc1nc(N)nc(N)n1)c1ccc(N(C)C)cc1 ZINC000858488378 822511593 /nfs/dbraw/zinc/51/15/93/822511593.db2.gz RVBRXZCJBSRUJU-QMMMGPOBSA-N 0 3 273.344 1.275 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](O)COCC(C)C)c([O-])c1 ZINC000876966576 822544924 /nfs/dbraw/zinc/54/49/24/822544924.db2.gz WROUBABSTGUYNC-AWEZNQCLSA-N 0 3 267.369 1.824 20 10 CDCDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619522 914191159 /nfs/dbraw/zinc/19/11/59/914191159.db2.gz WPQUCSCGJSSVTJ-CYBMUJFWSA-N 0 3 274.364 1.740 20 10 CDCDHN CCN1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000722356438 901020045 /nfs/dbraw/zinc/02/00/45/901020045.db2.gz PPGMXVSZTYNZIS-QWHCGFSZSA-N 0 3 274.364 1.980 20 10 CDCDHN CCN1CC[C@@H](NCc2ccc(O)c(O)c2)CC1=O ZINC001172027992 911140630 /nfs/dbraw/zinc/14/06/30/911140630.db2.gz DWVDOGULXXNUGV-LLVKDONJSA-N 0 3 264.325 1.198 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])CC12CC2 ZINC001203562080 918392589 /nfs/dbraw/zinc/39/25/89/918392589.db2.gz DBLOXXOJXGAMDY-LBPRGKRZSA-N 0 3 261.321 1.777 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12CC2 ZINC001203562080 918392605 /nfs/dbraw/zinc/39/26/05/918392605.db2.gz DBLOXXOJXGAMDY-LBPRGKRZSA-N 0 3 261.321 1.777 20 10 CDCDHN CN(C)C1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354760 936525113 /nfs/dbraw/zinc/52/51/13/936525113.db2.gz TUTAFVQNHNRXTA-UHFFFAOYSA-N 0 3 259.397 1.815 20 10 CDCDHN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1[O-] ZINC000783517673 937274587 /nfs/dbraw/zinc/27/45/87/937274587.db2.gz HUKHSRXIGOELJD-LLVKDONJSA-N 0 3 283.393 1.868 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@H](NC(C)=O)C2)cc1 ZINC000817280258 930484716 /nfs/dbraw/zinc/48/47/16/930484716.db2.gz BDLJKYOEIGOYOL-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN C[C@@H]1CCN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503840 931864240 /nfs/dbraw/zinc/86/42/40/931864240.db2.gz FIVVBIGAZTVGAT-SECBINFHSA-N 0 3 265.309 1.604 20 10 CDCDHN Oc1ccc(CNc2ncc3c(n2)CCNC3)cc1O ZINC001158994503 938685728 /nfs/dbraw/zinc/68/57/28/938685728.db2.gz MHIIGTPZBRHAPM-UHFFFAOYSA-N 0 3 272.308 1.146 20 10 CDCDHN COC[C@H]1CN(Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551728 939692737 /nfs/dbraw/zinc/69/27/37/939692737.db2.gz LRDKDAKQYICCCI-CQSZACIVSA-N 0 3 287.363 1.872 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274006 939750375 /nfs/dbraw/zinc/75/03/75/939750375.db2.gz YEHUHMMRKHMOSB-OAHLLOKOSA-N 0 3 276.336 1.200 20 10 CDCDHN O=C1NCC[C@@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274006 939750377 /nfs/dbraw/zinc/75/03/77/939750377.db2.gz YEHUHMMRKHMOSB-OAHLLOKOSA-N 0 3 276.336 1.200 20 10 CDCDHN O=C1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1 ZINC001204277759 939751320 /nfs/dbraw/zinc/75/13/20/939751320.db2.gz KVWPEWYDAOBBJG-UHFFFAOYSA-N 0 3 276.336 1.342 20 10 CDCDHN OC[C@H]1CN(Cc2ccc(O)cc2O)CCC1(F)F ZINC001204277239 939751551 /nfs/dbraw/zinc/75/15/51/939751551.db2.gz WZSLHQPUEJLUJE-SNVBAGLBSA-N 0 3 273.279 1.547 20 10 CDCDHN C[C@@H]1COCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483168 943592561 /nfs/dbraw/zinc/59/25/61/943592561.db2.gz PPIHIZJXOPSKAY-VIFPVBQESA-N 0 3 253.298 1.272 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)ccc1[O-] ZINC001236196617 944426816 /nfs/dbraw/zinc/42/68/16/944426816.db2.gz LTVWQKCMDBGGFR-MNOVXSKESA-N 0 3 284.743 1.120 20 10 CDCDHN CCc1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001236783311 944565971 /nfs/dbraw/zinc/56/59/71/944565971.db2.gz JYNHWOCSORGSKN-INIZCTEOSA-N 0 3 290.407 1.861 20 10 CDCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@H](O)CO ZINC001236829536 944584249 /nfs/dbraw/zinc/58/42/49/944584249.db2.gz IPVOEXMFFZCYII-AWEZNQCLSA-N 0 3 261.321 1.330 20 10 CDCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@H](O)CO ZINC001236829536 944584255 /nfs/dbraw/zinc/58/42/55/944584255.db2.gz IPVOEXMFFZCYII-AWEZNQCLSA-N 0 3 261.321 1.330 20 10 CDCDHN COc1cc(CN2C[C@@H]3C[C@H]2CN3C)c(O)c(OC)c1 ZINC001237677319 944921777 /nfs/dbraw/zinc/92/17/77/944921777.db2.gz AEAWGUAWOVJEBI-RYUDHWBXSA-N 0 3 278.352 1.298 20 10 CDCDHN COc1cc(CN2CCN(C)C(C)(C)C2)c(O)c(OC)c1 ZINC001237678421 944924398 /nfs/dbraw/zinc/92/43/98/944924398.db2.gz NYZZGBQPJDDWGX-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001249172455 949441947 /nfs/dbraw/zinc/44/19/47/949441947.db2.gz MTEOJDWBWCMPJK-JSGCOSHPSA-N 0 3 297.326 1.012 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001249172455 949441958 /nfs/dbraw/zinc/44/19/58/949441958.db2.gz MTEOJDWBWCMPJK-JSGCOSHPSA-N 0 3 297.326 1.012 20 10 CDCDHN CCOC[C@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001252029224 951071231 /nfs/dbraw/zinc/07/12/31/951071231.db2.gz PMCIYEWYQLSENI-CYBMUJFWSA-N 0 3 253.342 1.612 20 10 CDCDHN CCOC[C@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001252029224 951071239 /nfs/dbraw/zinc/07/12/39/951071239.db2.gz PMCIYEWYQLSENI-CYBMUJFWSA-N 0 3 253.342 1.612 20 10 CDCDHN O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cc([O-])cs1 ZINC001304527095 956199950 /nfs/dbraw/zinc/19/99/50/956199950.db2.gz ZVDAATBYZFCMIU-JTQLQIEISA-N 0 3 266.366 1.525 20 10 CDCDHN O=C(NC[C@H]1CN2CCC1CC2)C1=CC(=O)CS1 ZINC001304527095 956199954 /nfs/dbraw/zinc/19/99/54/956199954.db2.gz ZVDAATBYZFCMIU-JTQLQIEISA-N 0 3 266.366 1.525 20 10 CDCDHN CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001344820647 964446180 /nfs/dbraw/zinc/44/61/80/964446180.db2.gz BHDSMHSUNNPGQF-BXKDBHETSA-N 0 3 266.316 1.536 20 10 CDCDHN CC(C)([NH3+])CNC(=O)NCc1c([O-])cccc1F ZINC001575358385 1171158474 /nfs/dbraw/zinc/15/84/74/1171158474.db2.gz PPPUKBIMWWCPOP-UHFFFAOYSA-N 0 3 255.293 1.068 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000093481794 342428848 /nfs/dbraw/zinc/42/88/48/342428848.db2.gz XGLPQJGRKOXJSX-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000093481794 342428849 /nfs/dbraw/zinc/42/88/49/342428849.db2.gz XGLPQJGRKOXJSX-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000179773710 357223266 /nfs/dbraw/zinc/22/32/66/357223266.db2.gz YPXLODFWPIFQLF-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000179773710 357223270 /nfs/dbraw/zinc/22/32/70/357223270.db2.gz YPXLODFWPIFQLF-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN CC(C)CN(CC(N)=O)Cc1cc(F)ccc1O ZINC000179938377 357232553 /nfs/dbraw/zinc/23/25/53/357232553.db2.gz TXUDKXZUNAKWBR-UHFFFAOYSA-N 0 3 254.305 1.475 20 10 CDCDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000185802643 357578317 /nfs/dbraw/zinc/57/83/17/357578317.db2.gz UKXKOQKHHKBLMQ-QWRGUYRKSA-N 0 3 278.352 1.700 20 10 CDCDHN COC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000188380529 357888015 /nfs/dbraw/zinc/88/80/15/357888015.db2.gz LEDIYIZOYMLEKS-JSGCOSHPSA-N 0 3 265.353 1.936 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188697934 357927961 /nfs/dbraw/zinc/92/79/61/357927961.db2.gz PGUVZDQYQXKLTN-WCQYABFASA-N 0 3 265.332 1.069 20 10 CDCDHN CCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000188956637 357955906 /nfs/dbraw/zinc/95/59/06/357955906.db2.gz XSBAHWZIWLBJGP-UHFFFAOYSA-N 0 3 280.368 1.820 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294914531 199245544 /nfs/dbraw/zinc/24/55/44/199245544.db2.gz AJJCSJZOVKZJNO-MRXNPFEDSA-N 0 3 293.363 1.712 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294914531 199245546 /nfs/dbraw/zinc/24/55/46/199245546.db2.gz AJJCSJZOVKZJNO-MRXNPFEDSA-N 0 3 293.363 1.712 20 10 CDCDHN COC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000230672274 360338269 /nfs/dbraw/zinc/33/82/69/360338269.db2.gz UAXGCNQWTMEHAN-GXSJLCMTSA-N 0 3 257.305 1.843 20 10 CDCDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000281292232 363793756 /nfs/dbraw/zinc/79/37/56/363793756.db2.gz YDPDAXLAHSQJRQ-SECBINFHSA-N 0 3 287.356 1.759 20 10 CDCDHN CCC[N@@H+](CC)CCNC(=O)c1cc([O-])cs1 ZINC000746702738 576789536 /nfs/dbraw/zinc/78/95/36/576789536.db2.gz YPRKKSGANIMEHD-UHFFFAOYSA-N 0 3 256.371 1.915 20 10 CDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000269242764 364167085 /nfs/dbraw/zinc/16/70/85/364167085.db2.gz RSRFFAMNJPOMNL-OAHLLOKOSA-N 0 3 291.395 1.123 20 10 CDCDHN COc1ccc(CN[C@H](C)C[S@](C)=O)cc1C ZINC000168210846 364970104 /nfs/dbraw/zinc/97/01/04/364970104.db2.gz QFJPEUAHOYCPTI-PIGZYNQJSA-N 0 3 255.383 1.860 20 10 CDCDHN CN1CC=C(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272626158 365326401 /nfs/dbraw/zinc/32/64/01/365326401.db2.gz JQMXOUMSCBAADU-HWKANZROSA-N 0 3 288.347 1.489 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000272879865 365429996 /nfs/dbraw/zinc/42/99/96/365429996.db2.gz QJWLOSXRTNEXMX-HZMBPMFUSA-N 0 3 261.325 1.510 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273364271 365488778 /nfs/dbraw/zinc/48/87/78/365488778.db2.gz BBQTUSFAZCXCEH-GHMZBOCLSA-N 0 3 276.340 1.732 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273460904 365497858 /nfs/dbraw/zinc/49/78/58/365497858.db2.gz CQWVZAXEUSOEDU-BMIGLBTASA-N 0 3 291.351 1.519 20 10 CDCDHN CC[C@@H](N[C@H](CO)COC)c1ccc(N(C)C)cc1 ZINC000281159369 367597125 /nfs/dbraw/zinc/59/71/25/367597125.db2.gz PBAKJNCROYIWDF-UKRRQHHQSA-N 0 3 266.385 1.801 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000282489949 367910361 /nfs/dbraw/zinc/91/03/61/367910361.db2.gz HQLDOZVVKANRTR-GHMZBOCLSA-N 0 3 268.332 1.825 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCCF ZINC000282946630 368115304 /nfs/dbraw/zinc/11/53/04/368115304.db2.gz ZAQYYVZLAZMEFX-VHSXEESVSA-N 0 3 254.305 1.517 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccccc1[O-] ZINC000294110513 370947184 /nfs/dbraw/zinc/94/71/84/370947184.db2.gz KAXYYQKDTMCZGB-MBNYWOFBSA-N 0 3 265.353 1.973 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000019899923 1172571926 /nfs/dbraw/zinc/57/19/26/1172571926.db2.gz SVIHVIKTPBTPEO-ZJUUUORDSA-N 0 3 255.339 1.230 20 10 CDCDHN CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000122780710 390906687 /nfs/dbraw/zinc/90/66/87/390906687.db2.gz DGHXBTNMUPXUOE-LLVKDONJSA-N 0 3 266.341 1.097 20 10 CDCDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000373237194 391111745 /nfs/dbraw/zinc/11/17/45/391111745.db2.gz OPZJMPQWXCIMFU-LBPRGKRZSA-N 0 3 261.369 1.463 20 10 CDCDHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000376412183 391229234 /nfs/dbraw/zinc/22/92/34/391229234.db2.gz HDLJYKARIUZIBJ-YPMHNXCESA-N 0 3 290.363 1.797 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195008197 391374444 /nfs/dbraw/zinc/37/44/44/391374444.db2.gz RBTOWCASOPMXHD-UFBFGSQYSA-N 0 3 298.770 1.668 20 10 CDCDHN CCN(CC[NH2+]Cc1cccc(OC)c1[O-])C1CC1 ZINC000227550786 393212396 /nfs/dbraw/zinc/21/23/96/393212396.db2.gz QTVIIJXXWGFKEP-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CO)C1)OCO2 ZINC000154573668 261093130 /nfs/dbraw/zinc/09/31/30/261093130.db2.gz UIJNPTSTSYGWGZ-JTQLQIEISA-N 0 3 265.309 1.325 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CO)C1)OCO2 ZINC000154573668 261093132 /nfs/dbraw/zinc/09/31/32/261093132.db2.gz UIJNPTSTSYGWGZ-JTQLQIEISA-N 0 3 265.309 1.325 20 10 CDCDHN OC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000154573668 261093134 /nfs/dbraw/zinc/09/31/34/261093134.db2.gz UIJNPTSTSYGWGZ-JTQLQIEISA-N 0 3 265.309 1.325 20 10 CDCDHN CC(C)C(=O)NCCN(C)Cc1cc(F)ccc1O ZINC000180289959 261852308 /nfs/dbraw/zinc/85/23/08/261852308.db2.gz RMMFZWKMZLKTBV-UHFFFAOYSA-N 0 3 268.332 1.735 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](O)C1)OCO2 ZINC000188797484 264250123 /nfs/dbraw/zinc/25/01/23/264250123.db2.gz OTNZEVLVQHBULE-ONGXEEELSA-N 0 3 265.309 1.372 20 10 CDCDHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000370398075 267316794 /nfs/dbraw/zinc/31/67/94/267316794.db2.gz GLDHMZCQMFULHC-DLBZAZTESA-N 0 3 290.407 1.604 20 10 CDCDHN COc1cc(O)c(CN2CCOC[C@H](C)C2)cc1OC ZINC000371365378 267396111 /nfs/dbraw/zinc/39/61/11/267396111.db2.gz DPEAHDNEGZMSSN-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN CN1CCN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295892056 277105746 /nfs/dbraw/zinc/10/57/46/277105746.db2.gz IGJWOFQKWLIATJ-HNNXBMFYSA-N 0 3 289.423 1.607 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000227976309 333292042 /nfs/dbraw/zinc/29/20/42/333292042.db2.gz RVROYRDVFVEVSJ-XHDPSFHLSA-N 0 3 281.352 1.420 20 10 CDCDHN CCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000036780923 519880424 /nfs/dbraw/zinc/88/04/24/519880424.db2.gz ZCZVYHYHEPBTRG-JTQLQIEISA-N 0 3 266.341 1.578 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000282616319 522201080 /nfs/dbraw/zinc/20/10/80/522201080.db2.gz LRRFDPMTLXQGOJ-HNNXBMFYSA-N 0 3 291.395 1.123 20 10 CDCDHN CC[C@@H]([NH2+]CC[C@@H](O)COC)c1ccccc1[O-] ZINC000156986910 522840224 /nfs/dbraw/zinc/84/02/24/522840224.db2.gz AYGOYPXRRFWQIT-DGCLKSJQSA-N 0 3 253.342 1.830 20 10 CDCDHN Nc1ccc(CC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000052060280 527475909 /nfs/dbraw/zinc/47/59/09/527475909.db2.gz IQIOMEAXTYJYCL-UHFFFAOYSA-N 0 3 287.407 1.898 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)Cn2cncn2)c1[O-] ZINC000725849154 574444483 /nfs/dbraw/zinc/44/44/83/574444483.db2.gz JFSOWZDGRCSWJL-JTQLQIEISA-N 0 3 262.313 1.171 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000765795586 576056624 /nfs/dbraw/zinc/05/66/24/576056624.db2.gz KDDNUAQWJJCMHJ-MNOVXSKESA-N 0 3 292.335 1.125 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000765798047 576056626 /nfs/dbraw/zinc/05/66/26/576056626.db2.gz UKVWZQSVAHZLRZ-STQMWFEESA-N 0 3 262.353 1.705 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000742375016 576598621 /nfs/dbraw/zinc/59/86/21/576598621.db2.gz KUHPGLPMUBVXQN-NEPJUHHUSA-N 0 3 264.369 1.973 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000763466602 576738351 /nfs/dbraw/zinc/73/83/51/576738351.db2.gz KGTZDXGXTFBPGB-AWEZNQCLSA-N 0 3 295.379 1.668 20 10 CDCDHN CCC[N@H+](CC)CCNC(=O)c1cc([O-])cs1 ZINC000746702738 576789535 /nfs/dbraw/zinc/78/95/35/576789535.db2.gz YPRKKSGANIMEHD-UHFFFAOYSA-N 0 3 256.371 1.915 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)C2CC2)c1 ZINC000840882312 617517241 /nfs/dbraw/zinc/51/72/41/617517241.db2.gz IQFZQFMGTZIPNU-NSHDSACASA-N 0 3 283.393 1.928 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840976440 617977173 /nfs/dbraw/zinc/97/71/73/617977173.db2.gz BWKGEKGSEXZCND-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840976440 617977179 /nfs/dbraw/zinc/97/71/79/617977179.db2.gz BWKGEKGSEXZCND-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCCON)c2c1c(F)ccc2[O-] ZINC000902422959 624791420 /nfs/dbraw/zinc/79/14/20/624791420.db2.gz HMVOXYALIQZNKG-SCZZXKLOSA-N 0 3 254.305 1.950 20 10 CDCDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910951105 629115557 /nfs/dbraw/zinc/11/55/57/629115557.db2.gz BHPNSAWIJWDKMJ-CYBMUJFWSA-N 0 3 278.352 1.588 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000792194933 822768925 /nfs/dbraw/zinc/76/89/25/822768925.db2.gz BHTBEJDFGCIPJN-ZDUSSCGKSA-N 0 3 287.331 1.035 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCN1CCCO)CC2 ZINC000834851274 828545546 /nfs/dbraw/zinc/54/55/46/828545546.db2.gz WBTGTMCZIWTVGK-LSDHHAIUSA-N 0 3 290.407 1.816 20 10 CDCDHN COCCN1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909914 823776038 /nfs/dbraw/zinc/77/60/38/823776038.db2.gz NAFSYRFENQUFSB-UHFFFAOYSA-N 0 3 291.439 1.825 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000783714801 823805846 /nfs/dbraw/zinc/80/58/46/823805846.db2.gz DGZUFHKGAMUUSB-LBPRGKRZSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000783714801 823805847 /nfs/dbraw/zinc/80/58/47/823805847.db2.gz DGZUFHKGAMUUSB-LBPRGKRZSA-N 0 3 281.352 1.638 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)c([O-])c1 ZINC000877494387 824058500 /nfs/dbraw/zinc/05/85/00/824058500.db2.gz VRMDMRJVQUVYDE-LLVKDONJSA-N 0 3 264.325 1.159 20 10 CDCDHN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1ccccc1[O-] ZINC000382563263 824077813 /nfs/dbraw/zinc/07/78/13/824077813.db2.gz MQXHDOJWDCUFOA-GXTWGEPZSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)C2(N)CC2)c1 ZINC000843490039 824083723 /nfs/dbraw/zinc/08/37/23/824083723.db2.gz WAEUWMGGDXKMQS-MRVPVSSYSA-N 0 3 250.298 1.069 20 10 CDCDHN CCCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC000131695737 824103826 /nfs/dbraw/zinc/10/38/26/824103826.db2.gz ANIOLMUVHRRKEF-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN COCC1(C)CN(Cc2cc(OC)ccc2O)C1 ZINC000839143930 824261976 /nfs/dbraw/zinc/26/19/76/824261976.db2.gz RZVKLHYBLDBZIG-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)CC(F)F)cc1 ZINC000383794600 824347329 /nfs/dbraw/zinc/34/73/29/824347329.db2.gz NGDDVYINARVCSQ-GFCCVEGCSA-N 0 3 285.338 1.694 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000827700012 824803288 /nfs/dbraw/zinc/80/32/88/824803288.db2.gz NXJGWVWPNUUKOU-NHYWBVRUSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000827700012 824803289 /nfs/dbraw/zinc/80/32/89/824803289.db2.gz NXJGWVWPNUUKOU-NHYWBVRUSA-N 0 3 265.353 1.851 20 10 CDCDHN C[C@@H](NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964740 824832415 /nfs/dbraw/zinc/83/24/15/824832415.db2.gz GOHGYUKCCIFSDX-MRVPVSSYSA-N 0 3 251.286 1.170 20 10 CDCDHN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000783507667 824893409 /nfs/dbraw/zinc/89/34/09/824893409.db2.gz DJLPPFWOJDRNIF-STQMWFEESA-N 0 3 264.369 1.764 20 10 CDCDHN CCCN(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778917553 825049665 /nfs/dbraw/zinc/04/96/65/825049665.db2.gz FUPXMRBVMZGQDS-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN Nc1nc(N)nc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000858426860 825052716 /nfs/dbraw/zinc/05/27/16/825052716.db2.gz VDLXZFLNXIWYGM-UHFFFAOYSA-N 0 3 286.339 1.233 20 10 CDCDHN COC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000781414764 825156051 /nfs/dbraw/zinc/15/60/51/825156051.db2.gz BRVXFQFYDIZUME-SNVBAGLBSA-N 0 3 255.314 1.152 20 10 CDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F ZINC000865712217 825369362 /nfs/dbraw/zinc/36/93/62/825369362.db2.gz YBMXLDKPVOVWLL-KBUNVGBDSA-N 0 3 293.241 1.522 20 10 CDCDHN COC[C@H]1CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877549895 828781886 /nfs/dbraw/zinc/78/18/86/828781886.db2.gz JUGRQDDCOVNLTM-MRXNPFEDSA-N 0 3 290.407 1.868 20 10 CDCDHN CC[C@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C ZINC000827937439 825850480 /nfs/dbraw/zinc/85/04/80/825850480.db2.gz WTLPLAVKDLSMPN-ZYHUDNBSSA-N 0 3 250.342 1.910 20 10 CDCDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000796936124 826063146 /nfs/dbraw/zinc/06/31/46/826063146.db2.gz DSRVMCVTWIXOSM-UKRRQHHQSA-N 0 3 282.359 1.639 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816667103 826067359 /nfs/dbraw/zinc/06/73/59/826067359.db2.gz CMRSCMJDLWFJIT-CVEARBPZSA-N 0 3 277.364 1.802 20 10 CDCDHN CON(C)CCNCc1cc(F)c(N(C)C)cc1F ZINC000883171401 826141875 /nfs/dbraw/zinc/14/18/75/826141875.db2.gz XIAMTGKDACBESJ-UHFFFAOYSA-N 0 3 273.327 1.614 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000876619084 826313311 /nfs/dbraw/zinc/31/33/11/826313311.db2.gz NVQCYEYEJBRWHJ-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000876619084 826313316 /nfs/dbraw/zinc/31/33/16/826313316.db2.gz NVQCYEYEJBRWHJ-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C2(CO)CC2)c([O-])c1 ZINC000827904216 826352851 /nfs/dbraw/zinc/35/28/51/826352851.db2.gz WNOYOGPMPBBXNA-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C2(CO)CC2)c([O-])c1 ZINC000827904216 826352857 /nfs/dbraw/zinc/35/28/57/826352857.db2.gz WNOYOGPMPBBXNA-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COCCNC(=O)C1(N[C@@H](C)c2ccccc2O)CC1 ZINC000840822426 826811953 /nfs/dbraw/zinc/81/19/53/826811953.db2.gz NAFMXCMKKZMTKW-NSHDSACASA-N 0 3 278.352 1.338 20 10 CDCDHN COCCNC(=O)C1([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000840822426 826811954 /nfs/dbraw/zinc/81/19/54/826811954.db2.gz NAFMXCMKKZMTKW-NSHDSACASA-N 0 3 278.352 1.338 20 10 CDCDHN CN(C)c1ccc(CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000126954845 826901457 /nfs/dbraw/zinc/90/14/57/826901457.db2.gz JSISKTCREOIPHL-CQSZACIVSA-N 0 3 282.409 1.419 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCC[S@](C)=O)c1[O-] ZINC000169088923 827040254 /nfs/dbraw/zinc/04/02/54/827040254.db2.gz QMUSXAZPVZMVJL-GOSISDBHSA-N 0 3 291.800 1.912 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000877597075 827245731 /nfs/dbraw/zinc/24/57/31/827245731.db2.gz YSCYYFWYBKFOSQ-NSHDSACASA-N 0 3 273.340 1.182 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c([O-])c1 ZINC000825103043 827366707 /nfs/dbraw/zinc/36/67/07/827366707.db2.gz BNKYQSLUGSKFQL-ZWNOBZJWSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c([O-])c1 ZINC000825103043 827366720 /nfs/dbraw/zinc/36/67/20/827366720.db2.gz BNKYQSLUGSKFQL-ZWNOBZJWSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O ZINC000069140515 827745007 /nfs/dbraw/zinc/74/50/07/827745007.db2.gz OLVQPSSVWTUEEG-LBPRGKRZSA-N 0 3 299.392 1.458 20 10 CDCDHN COc1ccc(CN[C@H]2COC[C@H]2OC)cc1C ZINC000839193038 827852499 /nfs/dbraw/zinc/85/24/99/827852499.db2.gz NEFKPJFHJHWPSA-GXTWGEPZSA-N 0 3 251.326 1.507 20 10 CDCDHN CNC(=O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F ZINC000858154162 827974555 /nfs/dbraw/zinc/97/45/55/827974555.db2.gz YXPNXAJFMGLTDJ-UHFFFAOYSA-N 0 3 299.365 1.893 20 10 CDCDHN CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCN(C)C1 ZINC000843990647 828202655 /nfs/dbraw/zinc/20/26/55/828202655.db2.gz WIFVPZFKSYNSGD-LBPRGKRZSA-N 0 3 292.379 1.963 20 10 CDCDHN CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618664 914185684 /nfs/dbraw/zinc/18/56/84/914185684.db2.gz LVJHWJQXIUAGDG-MRXNPFEDSA-N 0 3 290.363 1.073 20 10 CDCDHN CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618664 914185690 /nfs/dbraw/zinc/18/56/90/914185690.db2.gz LVJHWJQXIUAGDG-MRXNPFEDSA-N 0 3 290.363 1.073 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000139745567 897805977 /nfs/dbraw/zinc/80/59/77/897805977.db2.gz ZYLVPEYWFFSBMO-UHFFFAOYSA-N 0 3 294.370 1.828 20 10 CDCDHN O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000694546859 898527710 /nfs/dbraw/zinc/52/77/10/898527710.db2.gz ZFQZJIRSWIIWLX-LBPRGKRZSA-N 0 3 287.356 1.588 20 10 CDCDHN Oc1ccc(CN2CC(N3CCCCC3)C2)c(O)c1 ZINC001204279119 916601897 /nfs/dbraw/zinc/60/18/97/916601897.db2.gz RFQHQOFOTBWIES-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC001140948700 936782877 /nfs/dbraw/zinc/78/28/77/936782877.db2.gz WGLMAVMGNQQUBD-UHFFFAOYSA-N 0 3 263.341 1.333 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CO)c(OC)c1 ZINC001141031285 936795192 /nfs/dbraw/zinc/79/51/92/936795192.db2.gz BKZROXULDSMBNG-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CO)c(OC)c1 ZINC001141031285 936795194 /nfs/dbraw/zinc/79/51/94/936795194.db2.gz BKZROXULDSMBNG-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141026643 936794298 /nfs/dbraw/zinc/79/42/98/936794298.db2.gz YCNXNTVAECIIIO-SNVBAGLBSA-N 0 3 295.335 1.404 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141026643 936794300 /nfs/dbraw/zinc/79/43/00/936794300.db2.gz YCNXNTVAECIIIO-SNVBAGLBSA-N 0 3 295.335 1.404 20 10 CDCDHN C[C@@H]1C[C@@H](O)CCN1Cc1ccc2c(c1)OCCN2C ZINC001141144314 936819305 /nfs/dbraw/zinc/81/93/05/936819305.db2.gz ZDFDUQBPOCDHKC-OCCSQVGLSA-N 0 3 276.380 1.860 20 10 CDCDHN CN1CCOc2cc(CN3CC[C@@H](F)[C@@H](O)CC3)ccc21 ZINC001141141376 936818934 /nfs/dbraw/zinc/81/89/34/936818934.db2.gz XTVXLWCGTLWOIM-HIFRSBDPSA-N 0 3 294.370 1.810 20 10 CDCDHN [NH3+]C[C@@]1(O)CCCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001205690903 924518748 /nfs/dbraw/zinc/51/87/48/924518748.db2.gz YUAIBHKAUWEWLL-AWEZNQCLSA-N 0 3 284.787 1.721 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001168987240 927622991 /nfs/dbraw/zinc/62/29/91/927622991.db2.gz HRMHATOHZADLSH-ONGXEEELSA-N 0 3 266.297 1.633 20 10 CDCDHN CCc1nncn1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783515767 937273949 /nfs/dbraw/zinc/27/39/49/937273949.db2.gz AXVMCBQPENJUMX-NSHDSACASA-N 0 3 260.341 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001274303725 931489201 /nfs/dbraw/zinc/48/92/01/931489201.db2.gz LFIAWSBOSVHCEM-INIZCTEOSA-N 0 3 274.364 1.755 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001274303725 931489203 /nfs/dbraw/zinc/48/92/03/931489203.db2.gz LFIAWSBOSVHCEM-INIZCTEOSA-N 0 3 274.364 1.755 20 10 CDCDHN C[C@@H]1CN(Cc2c(O)cc(O)cc2O)[C@H](C)CO1 ZINC001144515600 931881272 /nfs/dbraw/zinc/88/12/72/931881272.db2.gz RZPQZSDSNODLBQ-RKDXNWHRSA-N 0 3 253.298 1.413 20 10 CDCDHN NC(C(=O)N1CCc2cccc(O)c2C1)C(F)(F)F ZINC001160871896 938835110 /nfs/dbraw/zinc/83/51/10/938835110.db2.gz AXVLSPPEDDCING-SNVBAGLBSA-N 0 3 274.242 1.167 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254618 945215713 /nfs/dbraw/zinc/21/57/13/945215713.db2.gz BTSKEGYGGCAPOR-WDAIWFPHSA-N 0 3 278.327 1.475 20 10 CDCDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254618 945215719 /nfs/dbraw/zinc/21/57/19/945215719.db2.gz BTSKEGYGGCAPOR-WDAIWFPHSA-N 0 3 278.327 1.475 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001203550210 939692479 /nfs/dbraw/zinc/69/24/79/939692479.db2.gz MKXNMXFHYVGKJQ-PWSUYJOCSA-N 0 3 255.264 1.858 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001203550210 939692480 /nfs/dbraw/zinc/69/24/80/939692480.db2.gz MKXNMXFHYVGKJQ-PWSUYJOCSA-N 0 3 255.264 1.858 20 10 CDCDHN COC[C@@H]1Cn2nccc2CN(Cc2ccccc2O)C1 ZINC001203556686 939693335 /nfs/dbraw/zinc/69/33/35/939693335.db2.gz TUHBBDCWMRIITR-ZDUSSCGKSA-N 0 3 287.363 1.867 20 10 CDCDHN CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561748 939693488 /nfs/dbraw/zinc/69/34/88/939693488.db2.gz YTJILGMETSBMRY-CYBMUJFWSA-N 0 3 262.353 1.883 20 10 CDCDHN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561748 939693489 /nfs/dbraw/zinc/69/34/89/939693489.db2.gz YTJILGMETSBMRY-CYBMUJFWSA-N 0 3 262.353 1.883 20 10 CDCDHN N[C@@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1O ZINC001219923455 941396737 /nfs/dbraw/zinc/39/67/37/941396737.db2.gz NVIKJJYSZUABDS-AWEZNQCLSA-N 0 3 286.331 1.284 20 10 CDCDHN O=C(NCC(F)F)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441157 942575942 /nfs/dbraw/zinc/57/59/42/942575942.db2.gz ICIUWRFCICEOFV-NSHDSACASA-N 0 3 296.317 1.595 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](O)[C@H](C)C1 ZINC001231849431 943028067 /nfs/dbraw/zinc/02/80/67/943028067.db2.gz SONNNBYAQQXPEZ-IUODEOHRSA-N 0 3 278.396 1.964 20 10 CDCDHN CN(C)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001232835287 943414015 /nfs/dbraw/zinc/41/40/15/943414015.db2.gz AAPQRDIDAIZACJ-INIZCTEOSA-N 0 3 292.379 1.450 20 10 CDCDHN CN1CCN(Cc2cc(O)c(O)c(O)c2)CC1(C)C ZINC001233016690 943464597 /nfs/dbraw/zinc/46/45/97/943464597.db2.gz KCLPAJXYWIYZTJ-UHFFFAOYSA-N 0 3 266.341 1.329 20 10 CDCDHN OCCCN1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233332524 943546986 /nfs/dbraw/zinc/54/69/86/943546986.db2.gz OBGUMCJSSQMSMZ-UHFFFAOYSA-N 0 3 286.322 1.170 20 10 CDCDHN OC[C@@H]1CCCCN1Cc1cc(O)c(O)cc1O ZINC001233482672 943591169 /nfs/dbraw/zinc/59/11/69/943591169.db2.gz XUPQCNDYQSFEKO-JTQLQIEISA-N 0 3 253.298 1.150 20 10 CDCDHN CN(Cc1cc(O)c(O)cc1O)C[C@@H]1CCCCO1 ZINC001233485905 943594508 /nfs/dbraw/zinc/59/45/08/943594508.db2.gz PRLOOYBMINIGGQ-NSHDSACASA-N 0 3 267.325 1.804 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001235165503 944076032 /nfs/dbraw/zinc/07/60/32/944076032.db2.gz JTUONJNHKGLLFG-GXFFZTMASA-N 0 3 252.745 1.969 20 10 CDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001236055339 944393192 /nfs/dbraw/zinc/39/31/92/944393192.db2.gz PJDCEWPEVMRQBF-HNNXBMFYSA-N 0 3 291.395 1.008 20 10 CDCDHN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)CCN ZINC001237616955 944890506 /nfs/dbraw/zinc/89/05/06/944890506.db2.gz RJBPFVLQJAMJTB-UHFFFAOYSA-N 0 3 272.370 1.524 20 10 CDCDHN COc1cc(CN2CC(C3COC3)C2)c(O)c(OC)c1 ZINC001237675612 944919991 /nfs/dbraw/zinc/91/99/91/944919991.db2.gz YSLVTEYWMVWEDT-UHFFFAOYSA-N 0 3 279.336 1.488 20 10 CDCDHN Cc1cc(F)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1[O-] ZINC001238058937 945044842 /nfs/dbraw/zinc/04/48/42/945044842.db2.gz WSUHRROAUKGSQP-UHFFFAOYSA-N 0 3 292.354 1.942 20 10 CDCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1[O-] ZINC001238060876 945046427 /nfs/dbraw/zinc/04/64/27/945046427.db2.gz JGHRCMZYAPBHDS-AWEZNQCLSA-N 0 3 295.354 1.956 20 10 CDCDHN Cn1ccc(N2CCC[C@H](NCc3ccc(N)cc3)C2=O)n1 ZINC001262488332 946682398 /nfs/dbraw/zinc/68/23/98/946682398.db2.gz YRLAVNYMWAGRCW-AWEZNQCLSA-N 0 3 299.378 1.288 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001308447400 956534889 /nfs/dbraw/zinc/53/48/89/956534889.db2.gz PHGKGGNBQFQYIB-HZPDHXFCSA-N 0 3 276.380 1.790 20 10 CDCDHN Cc1cc(N2CC[C@@H](NCc3ccc(N)cc3)C2=O)n(C)n1 ZINC001336284719 960287476 /nfs/dbraw/zinc/28/74/76/960287476.db2.gz CCEOIOYCPRMGCS-CQSZACIVSA-N 0 3 299.378 1.206 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295147077 199372170 /nfs/dbraw/zinc/37/21/70/199372170.db2.gz QSNXFVMDRTZKMK-CQSZACIVSA-N 0 3 264.369 1.329 20 10 CDCDHN CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000036795327 356884170 /nfs/dbraw/zinc/88/41/70/356884170.db2.gz MIRMYGNTVKUYMZ-MNOVXSKESA-N 0 3 250.342 1.876 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1 ZINC000037751747 356924637 /nfs/dbraw/zinc/92/46/37/356924637.db2.gz FADWSUIZFSOGRS-LLVKDONJSA-N 0 3 250.342 1.830 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCO2 ZINC000042879346 357083157 /nfs/dbraw/zinc/08/31/57/357083157.db2.gz QBLXLPQUIUZZRK-JTQLQIEISA-N 0 3 251.282 1.390 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000179773726 357223824 /nfs/dbraw/zinc/22/38/24/357223824.db2.gz YPXLODFWPIFQLF-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000179773726 357223826 /nfs/dbraw/zinc/22/38/26/357223826.db2.gz YPXLODFWPIFQLF-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCN(CC)CCO)c1 ZINC000184545559 357487920 /nfs/dbraw/zinc/48/79/20/357487920.db2.gz OJHXGSSGPHIUCB-UHFFFAOYSA-N 0 3 282.384 1.195 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000188934899 357953900 /nfs/dbraw/zinc/95/39/00/357953900.db2.gz FJFWFPMSRPYIJD-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000188934899 357953905 /nfs/dbraw/zinc/95/39/05/357953905.db2.gz FJFWFPMSRPYIJD-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN Cn1cc(N2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2)cn1 ZINC000370902167 359105956 /nfs/dbraw/zinc/10/59/56/359105956.db2.gz AYYLDOGEIDRINZ-CYBMUJFWSA-N 0 3 272.352 1.494 20 10 CDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297150134 200098240 /nfs/dbraw/zinc/09/82/40/200098240.db2.gz ZWWRUDKUHYXYRE-LBPRGKRZSA-N 0 3 298.408 1.297 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000124563358 360377547 /nfs/dbraw/zinc/37/75/47/360377547.db2.gz AVGRTOFFAAQUSK-CQSZACIVSA-N 0 3 263.385 1.709 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271124485 364934984 /nfs/dbraw/zinc/93/49/84/364934984.db2.gz ZFVUARXRTOYJLK-NSHDSACASA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271124485 364934987 /nfs/dbraw/zinc/93/49/87/364934987.db2.gz ZFVUARXRTOYJLK-NSHDSACASA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000271124485 364934990 /nfs/dbraw/zinc/93/49/90/364934990.db2.gz ZFVUARXRTOYJLK-NSHDSACASA-N 0 3 265.309 1.396 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000179023410 364975147 /nfs/dbraw/zinc/97/51/47/364975147.db2.gz JNYAJMKUSVLNNW-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN OCCO[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000271213442 364975881 /nfs/dbraw/zinc/97/58/81/364975881.db2.gz ZEQITEACSFDSCD-GFCCVEGCSA-N 0 3 295.335 1.094 20 10 CDCDHN CCC[N@H+](CCC(=O)NC(=O)NC)Cc1ccccc1[O-] ZINC000171668208 365353076 /nfs/dbraw/zinc/35/30/76/365353076.db2.gz MEVUZSKBXMXASD-UHFFFAOYSA-N 0 3 293.367 1.450 20 10 CDCDHN CCC[N@@H+](CCC(=O)NC(=O)NC)Cc1ccccc1[O-] ZINC000171668208 365353081 /nfs/dbraw/zinc/35/30/81/365353081.db2.gz MEVUZSKBXMXASD-UHFFFAOYSA-N 0 3 293.367 1.450 20 10 CDCDHN O=C1N[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CO1 ZINC000281201644 367603682 /nfs/dbraw/zinc/60/36/82/367603682.db2.gz JBVFNRPQBVRZED-PWSUYJOCSA-N 0 3 280.299 1.462 20 10 CDCDHN O=C1N[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CO1 ZINC000281201644 367603689 /nfs/dbraw/zinc/60/36/89/367603689.db2.gz JBVFNRPQBVRZED-PWSUYJOCSA-N 0 3 280.299 1.462 20 10 CDCDHN O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)O1 ZINC000375560358 370862662 /nfs/dbraw/zinc/86/26/62/370862662.db2.gz YRMSYCICFCNXHQ-AWEZNQCLSA-N 0 3 262.309 1.467 20 10 CDCDHN O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)O1 ZINC000375560358 370862664 /nfs/dbraw/zinc/86/26/64/370862664.db2.gz YRMSYCICFCNXHQ-AWEZNQCLSA-N 0 3 262.309 1.467 20 10 CDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000282058485 367716321 /nfs/dbraw/zinc/71/63/21/367716321.db2.gz BEKXYMUTWRVWFN-ZDUSSCGKSA-N 0 3 253.342 1.496 20 10 CDCDHN COCC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC000282247317 367794753 /nfs/dbraw/zinc/79/47/53/367794753.db2.gz OJUWEFRXHHFKEG-ZDUSSCGKSA-N 0 3 253.342 1.491 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000282489954 367910195 /nfs/dbraw/zinc/91/01/95/367910195.db2.gz HQLDOZVVKANRTR-QWRGUYRKSA-N 0 3 268.332 1.825 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000253087728 370214323 /nfs/dbraw/zinc/21/43/23/370214323.db2.gz DLSIPVMDNBRKSP-QWRGUYRKSA-N 0 3 276.336 1.454 20 10 CDCDHN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000253087728 370214331 /nfs/dbraw/zinc/21/43/31/370214331.db2.gz DLSIPVMDNBRKSP-QWRGUYRKSA-N 0 3 276.336 1.454 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000272930056 371136041 /nfs/dbraw/zinc/13/60/41/371136041.db2.gz ZJUJCYZZLKMJMG-VXGBXAGGSA-N 0 3 298.408 1.467 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296450117 371438475 /nfs/dbraw/zinc/43/84/75/371438475.db2.gz NFFYFUNHMJVXOZ-LLVKDONJSA-N 0 3 281.377 1.546 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000294858617 378653252 /nfs/dbraw/zinc/65/32/52/378653252.db2.gz CXVPIZLMWKCZSM-GFCCVEGCSA-N 0 3 262.353 1.740 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000294858617 378653256 /nfs/dbraw/zinc/65/32/56/378653256.db2.gz CXVPIZLMWKCZSM-GFCCVEGCSA-N 0 3 262.353 1.740 20 10 CDCDHN COCCC[N@H+](CCOC)Cc1cccc(OC)c1[O-] ZINC000133096232 390900885 /nfs/dbraw/zinc/90/08/85/390900885.db2.gz PJERLDMWPVWCDB-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN COCCC[N@@H+](CCOC)Cc1cccc(OC)c1[O-] ZINC000133096232 390900888 /nfs/dbraw/zinc/90/08/88/390900888.db2.gz PJERLDMWPVWCDB-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179559033 391210829 /nfs/dbraw/zinc/21/08/29/391210829.db2.gz LLALDAMYDPJPAP-CYBMUJFWSA-N 0 3 260.337 1.635 20 10 CDCDHN O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179559033 391210831 /nfs/dbraw/zinc/21/08/31/391210831.db2.gz LLALDAMYDPJPAP-CYBMUJFWSA-N 0 3 260.337 1.635 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000183547607 391267230 /nfs/dbraw/zinc/26/72/30/391267230.db2.gz FTHRPIQNRPSJDJ-JSGCOSHPSA-N 0 3 292.379 1.680 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC(F)F ZINC000345796867 391314726 /nfs/dbraw/zinc/31/47/26/391314726.db2.gz LFRANIFZEGBIMR-SNVBAGLBSA-N 0 3 299.321 1.461 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCO2 ZINC000193696456 391344321 /nfs/dbraw/zinc/34/43/21/391344321.db2.gz ZUIVLWCACXULQK-HZMBPMFUSA-N 0 3 260.337 1.236 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000172070747 261069542 /nfs/dbraw/zinc/06/95/42/261069542.db2.gz BFABKNQHRQWFBE-CQSZACIVSA-N 0 3 269.341 1.278 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000183671723 261984217 /nfs/dbraw/zinc/98/42/17/261984217.db2.gz UWGWSHWAWWLUFN-QWHCGFSZSA-N 0 3 293.363 1.965 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185392107 262052954 /nfs/dbraw/zinc/05/29/54/262052954.db2.gz IMOJVSFLALTSAO-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN COC(=O)N1CC(N[C@H](C)c2cc(C)ccc2O)C1 ZINC000186137235 262081015 /nfs/dbraw/zinc/08/10/15/262081015.db2.gz AMNBTFYVVFSZCS-SNVBAGLBSA-N 0 3 264.325 1.802 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC[C@@H](O)C(F)(F)F)c1 ZINC000119995032 262179948 /nfs/dbraw/zinc/17/99/48/262179948.db2.gz XEXQSQXCMUTAMP-WRWORJQWSA-N 0 3 279.258 1.975 20 10 CDCDHN COC[C@@H](CCO)NCc1ccc2c(c1)CCO2 ZINC000219135911 329147437 /nfs/dbraw/zinc/14/74/37/329147437.db2.gz FUTMFCHISQMZMA-CYBMUJFWSA-N 0 3 251.326 1.109 20 10 CDCDHN COC[C@H](CCO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000223946918 333214283 /nfs/dbraw/zinc/21/42/83/333214283.db2.gz TUFVLEZMEODTEK-OCCSQVGLSA-N 0 3 266.385 1.801 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)c(OC)c1 ZINC001141028144 1159572524 /nfs/dbraw/zinc/57/25/24/1159572524.db2.gz CMEGLZGCWNLWMG-OAHLLOKOSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)c(OC)c1 ZINC001141028144 1159572529 /nfs/dbraw/zinc/57/25/29/1159572529.db2.gz CMEGLZGCWNLWMG-OAHLLOKOSA-N 0 3 281.352 1.756 20 10 CDCDHN CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617117 519708739 /nfs/dbraw/zinc/70/87/39/519708739.db2.gz RCGRVJUZYQAUMN-VIFPVBQESA-N 0 3 254.305 1.707 20 10 CDCDHN CCCN(CCC)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278434109 521651351 /nfs/dbraw/zinc/65/13/51/521651351.db2.gz UKMBZVLJMAZFLL-IAGOWNOFSA-N 0 3 292.423 1.850 20 10 CDCDHN COC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])OC ZINC000272642337 522299308 /nfs/dbraw/zinc/29/93/08/522299308.db2.gz CTLWSXAPZKEXJV-CYBMUJFWSA-N 0 3 253.342 1.760 20 10 CDCDHN C[N@H+](CCN1CCOCC1)Cc1c([O-])cccc1Cl ZINC000130724687 522839080 /nfs/dbraw/zinc/83/90/80/522839080.db2.gz HXUZGPURNXZBJL-UHFFFAOYSA-N 0 3 284.787 1.810 20 10 CDCDHN C[N@@H+](CCN1CCOCC1)Cc1c([O-])cccc1Cl ZINC000130724687 522839084 /nfs/dbraw/zinc/83/90/84/522839084.db2.gz HXUZGPURNXZBJL-UHFFFAOYSA-N 0 3 284.787 1.810 20 10 CDCDHN CN(CCN1CCOCC1)Cc1c(O)cccc1Cl ZINC000130724687 522839092 /nfs/dbraw/zinc/83/90/92/522839092.db2.gz HXUZGPURNXZBJL-UHFFFAOYSA-N 0 3 284.787 1.810 20 10 CDCDHN COCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000096487843 522936610 /nfs/dbraw/zinc/93/66/10/522936610.db2.gz UKWNBSKIFGOGPS-UHFFFAOYSA-N 0 3 279.336 1.979 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[N@H+](C)C1CC1 ZINC000188388421 524467041 /nfs/dbraw/zinc/46/70/41/524467041.db2.gz GIMRKYOEJMZKKU-SECBINFHSA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[N@@H+](C)C1CC1 ZINC000188388421 524467047 /nfs/dbraw/zinc/46/70/47/524467047.db2.gz GIMRKYOEJMZKKU-SECBINFHSA-N 0 3 264.325 1.310 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000293511255 524750281 /nfs/dbraw/zinc/75/02/81/524750281.db2.gz AHNYSGBFIAFLKC-UHFFFAOYSA-N 0 3 276.340 1.252 20 10 CDCDHN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000228094862 525599627 /nfs/dbraw/zinc/59/96/27/525599627.db2.gz KLRHJCUOFNMSKH-ZANVPECISA-N 0 3 255.289 1.161 20 10 CDCDHN Nc1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000044683259 527477595 /nfs/dbraw/zinc/47/75/95/527477595.db2.gz VZVRXPUIPPGJOF-ZDUSSCGKSA-N 0 3 259.353 1.164 20 10 CDCDHN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063000770 527581791 /nfs/dbraw/zinc/58/17/91/527581791.db2.gz XRNPBMAQUKGLQT-CYBMUJFWSA-N 0 3 287.315 1.944 20 10 CDCDHN CCOCC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000769785337 575383878 /nfs/dbraw/zinc/38/38/78/575383878.db2.gz AIJPVHBMQKCKLZ-VXGBXAGGSA-N 0 3 283.368 1.839 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000770381141 575443395 /nfs/dbraw/zinc/44/33/95/575443395.db2.gz ODEWJHGOJNGGTP-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000770381141 575443398 /nfs/dbraw/zinc/44/33/98/575443398.db2.gz ODEWJHGOJNGGTP-CYBMUJFWSA-N 0 3 292.379 1.701 20 10 CDCDHN CNC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331228 576009118 /nfs/dbraw/zinc/00/91/18/576009118.db2.gz CUBQLCVMEDILTH-ZDUSSCGKSA-N 0 3 291.395 1.310 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(CCCCO)CC2)c1 ZINC000769394153 576351575 /nfs/dbraw/zinc/35/15/75/576351575.db2.gz JGAJJCTVXYUUPC-UHFFFAOYSA-N 0 3 278.396 1.591 20 10 CDCDHN CCn1cc(CNCc2ccc(OC)c(OC)c2O)cn1 ZINC000893002067 618042479 /nfs/dbraw/zinc/04/24/79/618042479.db2.gz VBFHVNQNNYZYMC-UHFFFAOYSA-N 0 3 291.351 1.916 20 10 CDCDHN COc1cc(C)cc(CN[C@H]2C(=O)NCC2(C)C)c1O ZINC000895325593 619563343 /nfs/dbraw/zinc/56/33/43/619563343.db2.gz SWKDKVHICZPYGO-ZDUSSCGKSA-N 0 3 278.352 1.323 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895746847 619821936 /nfs/dbraw/zinc/82/19/36/619821936.db2.gz GMUCAVSUGPEQNM-CHWSQXEVSA-N 0 3 269.316 1.551 20 10 CDCDHN CN(C)c1ccc([C@H](CNCc2cc[nH]n2)N(C)C)cc1 ZINC000898450856 621741607 /nfs/dbraw/zinc/74/16/07/621741607.db2.gz GAKWOJUXQRGKRP-INIZCTEOSA-N 0 3 287.411 1.868 20 10 CDCDHN CCOc1cccc(CNCC(=O)NCC(C)C)c1O ZINC000134637969 1175820390 /nfs/dbraw/zinc/82/03/90/1175820390.db2.gz LVOXBSBXZOPKBP-UHFFFAOYSA-N 0 3 280.368 1.653 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c([O-])c1 ZINC000877494140 828833478 /nfs/dbraw/zinc/83/34/78/828833478.db2.gz TZVLLJFHRPKBET-MRXNPFEDSA-N 0 3 295.379 1.932 20 10 CDCDHN CCN1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000391528109 828899234 /nfs/dbraw/zinc/89/92/34/828899234.db2.gz GCTFGCIRJAIHEW-CYBMUJFWSA-N 0 3 260.337 1.332 20 10 CDCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000824709323 833396723 /nfs/dbraw/zinc/39/67/23/833396723.db2.gz PADLGEAHQPRRQI-JSGCOSHPSA-N 0 3 251.326 1.533 20 10 CDCDHN CC[C@@H]([NH2+]C[C@](C)(O)COC)c1ccccc1[O-] ZINC000382563266 829445079 /nfs/dbraw/zinc/44/50/79/829445079.db2.gz MQXHDOJWDCUFOA-OCCSQVGLSA-N 0 3 253.342 1.830 20 10 CDCDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000866457067 829895548 /nfs/dbraw/zinc/89/55/48/829895548.db2.gz IGWFZZQGTNBAPM-NSHDSACASA-N 0 3 286.397 1.291 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000780786234 830049631 /nfs/dbraw/zinc/04/96/31/830049631.db2.gz JIOMIBGGQDTUGV-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000780786234 830049638 /nfs/dbraw/zinc/04/96/38/830049638.db2.gz JIOMIBGGQDTUGV-VXGBXAGGSA-N 0 3 265.353 1.994 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)[NH3+])c1[O-] ZINC000863565171 830218815 /nfs/dbraw/zinc/21/88/15/830218815.db2.gz BCUIEKYMPNBAOL-MRVPVSSYSA-N 0 3 254.305 1.513 20 10 CDCDHN C[N@H+](CC1=CCSC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853620507 830301608 /nfs/dbraw/zinc/30/16/08/830301608.db2.gz SODVUYBZWUKAMC-AWEZNQCLSA-N 0 3 293.388 1.923 20 10 CDCDHN C[N@@H+](CC1=CCSC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853620507 830301616 /nfs/dbraw/zinc/30/16/16/830301616.db2.gz SODVUYBZWUKAMC-AWEZNQCLSA-N 0 3 293.388 1.923 20 10 CDCDHN Cc1cccc(CN2CCN(CCCCO)CC2)c1O ZINC000775690666 830370061 /nfs/dbraw/zinc/37/00/61/830370061.db2.gz RHEQMMLPOZNDML-UHFFFAOYSA-N 0 3 278.396 1.591 20 10 CDCDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000842227177 832230674 /nfs/dbraw/zinc/23/06/74/832230674.db2.gz RSLGWBPRTIPZRR-HIFRSBDPSA-N 0 3 284.375 1.503 20 10 CDCDHN CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650095 833817530 /nfs/dbraw/zinc/81/75/30/833817530.db2.gz ILXGWRHZBFQIJQ-MNOVXSKESA-N 0 3 267.325 1.357 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCC(=O)N(C)C1=O ZINC000822520705 833833899 /nfs/dbraw/zinc/83/38/99/833833899.db2.gz MOCAHMNZXPAIIR-AWEZNQCLSA-N 0 3 289.379 1.298 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000877515973 832385291 /nfs/dbraw/zinc/38/52/91/832385291.db2.gz AICAPHZSZHEQCR-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000877515973 832385298 /nfs/dbraw/zinc/38/52/98/832385298.db2.gz AICAPHZSZHEQCR-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)c([O-])c1 ZINC000877025283 833846253 /nfs/dbraw/zinc/84/62/53/833846253.db2.gz FWUJRPHNVCHCOP-KGLIPLIRSA-N 0 3 278.396 1.899 20 10 CDCDHN C[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817954472 832647470 /nfs/dbraw/zinc/64/74/70/832647470.db2.gz ZIJKSIANZCKBBU-SECBINFHSA-N 0 3 252.314 1.049 20 10 CDCDHN CNCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817954472 832647479 /nfs/dbraw/zinc/64/74/79/832647479.db2.gz ZIJKSIANZCKBBU-SECBINFHSA-N 0 3 252.314 1.049 20 10 CDCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1CC1CC1 ZINC000883396812 834085091 /nfs/dbraw/zinc/08/50/91/834085091.db2.gz XJKWLFVADCGRQW-UONOGXRCSA-N 0 3 286.375 1.980 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1[O-] ZINC000843353601 834467803 /nfs/dbraw/zinc/46/78/03/834467803.db2.gz LSBZDDDXXVZQCL-YMTOWFKASA-N 0 3 280.343 1.903 20 10 CDCDHN C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000839800251 834510075 /nfs/dbraw/zinc/51/00/75/834510075.db2.gz VPBIITVPPOPMEI-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN C[N@H+]1CCC[C@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000839800251 834510077 /nfs/dbraw/zinc/51/00/77/834510077.db2.gz VPBIITVPPOPMEI-SNVBAGLBSA-N 0 3 268.382 1.915 20 10 CDCDHN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617132 834667964 /nfs/dbraw/zinc/66/79/64/834667964.db2.gz KTXIUPQKZAYRGY-BDAKNGLRSA-N 0 3 254.305 1.707 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817959276 834828337 /nfs/dbraw/zinc/82/83/37/834828337.db2.gz FADFYZMGXJDHNC-NOZJJQNGSA-N 0 3 278.352 1.567 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C)C2=O)c1 ZINC000121034136 834848248 /nfs/dbraw/zinc/84/82/48/834848248.db2.gz RHLWVLOMOXUSQY-BXKDBHETSA-N 0 3 264.325 1.282 20 10 CDCDHN COC[C@]1(CN[C@@H](C)c2ccc(F)cc2[O-])CCC[NH2+]1 ZINC000817973029 835145044 /nfs/dbraw/zinc/14/50/44/835145044.db2.gz BAYOTWRREKIORA-XHDPSFHLSA-N 0 3 282.359 1.951 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000808426567 835307107 /nfs/dbraw/zinc/30/71/07/835307107.db2.gz FMGANBWSVKNPBC-NSHDSACASA-N 0 3 299.392 1.315 20 10 CDCDHN COc1ccc(O)c(CN2CCSC[C@H]2CO)c1 ZINC000877779586 835574182 /nfs/dbraw/zinc/57/41/82/835574182.db2.gz CPUALTLTEHPQHR-LLVKDONJSA-N 0 3 269.366 1.311 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000840963481 835650978 /nfs/dbraw/zinc/65/09/78/835650978.db2.gz OEDCFEPFQHZCAI-GXFFZTMASA-N 0 3 269.316 1.408 20 10 CDCDHN COc1cc(CN2CCC[C@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204341842 917880170 /nfs/dbraw/zinc/88/01/70/917880170.db2.gz HCHRJGNWIIKMMP-JQWIXIFHSA-N 0 3 281.352 1.699 20 10 CDCDHN COc1cc(CN2CC(N3CCCC3)C2)cc(O)c1O ZINC001204344328 917925248 /nfs/dbraw/zinc/92/52/48/917925248.db2.gz GDMLZTSXJFLYHI-UHFFFAOYSA-N 0 3 278.352 1.386 20 10 CDCDHN Cc1c(CN2CC(C(N)=O)C2)c2ccccc2n1C ZINC001138257895 936503251 /nfs/dbraw/zinc/50/32/51/936503251.db2.gz BYPDRQRVGITOFU-UHFFFAOYSA-N 0 3 257.337 1.404 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001203549863 919287478 /nfs/dbraw/zinc/28/74/78/919287478.db2.gz ABCVGTFNCJNYSS-ZDUSSCGKSA-N 0 3 263.337 1.508 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001203549862 919287795 /nfs/dbraw/zinc/28/77/95/919287795.db2.gz ABCVGTFNCJNYSS-CYBMUJFWSA-N 0 3 263.337 1.508 20 10 CDCDHN CN(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060027 936675408 /nfs/dbraw/zinc/67/54/08/936675408.db2.gz HFRZAUWCVXSTDA-UHFFFAOYSA-N 0 3 295.358 1.767 20 10 CDCDHN Oc1cc(O)c(CN2CCc3ccncc3C2)c(O)c1 ZINC001144514833 931877764 /nfs/dbraw/zinc/87/77/64/931877764.db2.gz UIIVEVGZLLLXSF-UHFFFAOYSA-N 0 3 272.304 1.757 20 10 CDCDHN C[NH2+]Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148584131 932753371 /nfs/dbraw/zinc/75/33/71/932753371.db2.gz PBSFALZZNOBPRX-UHFFFAOYSA-N 0 3 288.303 1.775 20 10 CDCDHN C[NH+](C)CCN1CC2(C1)CN(Cc1c([O-])cccc1F)C2 ZINC001276359704 935049752 /nfs/dbraw/zinc/04/97/52/935049752.db2.gz KVHZDOFCYHYVNO-UHFFFAOYSA-N 0 3 293.386 1.211 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001203621002 939696948 /nfs/dbraw/zinc/69/69/48/939696948.db2.gz MYPAGMQTSLQAHH-QWHCGFSZSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001203621002 939696950 /nfs/dbraw/zinc/69/69/50/939696950.db2.gz MYPAGMQTSLQAHH-QWHCGFSZSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(CN2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001203621684 939697363 /nfs/dbraw/zinc/69/73/63/939697363.db2.gz YQIHEWIBXMCNMM-NSHDSACASA-N 0 3 287.306 1.850 20 10 CDCDHN O=C1CC2(CN1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203873304 939709771 /nfs/dbraw/zinc/70/97/71/939709771.db2.gz BOZCFKZLECBXTF-UHFFFAOYSA-N 0 3 276.336 1.200 20 10 CDCDHN COC[C@]12COC[C@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001203876370 939710575 /nfs/dbraw/zinc/71/05/75/939710575.db2.gz BZCHBTQCLZTKMH-IUODEOHRSA-N 0 3 279.336 1.193 20 10 CDCDHN CC(=O)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204272440 939749845 /nfs/dbraw/zinc/74/98/45/939749845.db2.gz OAOBHBVEQDYTFA-UHFFFAOYSA-N 0 3 264.325 1.152 20 10 CDCDHN CC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272594 939750135 /nfs/dbraw/zinc/75/01/35/939750135.db2.gz QWRFNTHKUOYBGM-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275116 939750153 /nfs/dbraw/zinc/75/01/53/939750153.db2.gz XDMZGQOUWYLTEQ-IUODEOHRSA-N 0 3 279.336 1.193 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275116 939750154 /nfs/dbraw/zinc/75/01/54/939750154.db2.gz XDMZGQOUWYLTEQ-IUODEOHRSA-N 0 3 279.336 1.193 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001204274703 939750221 /nfs/dbraw/zinc/75/02/21/939750221.db2.gz GXQKGEZONBLXRL-CYBMUJFWSA-N 0 3 278.352 1.004 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001204274703 939750222 /nfs/dbraw/zinc/75/02/22/939750222.db2.gz GXQKGEZONBLXRL-CYBMUJFWSA-N 0 3 278.352 1.004 20 10 CDCDHN CCC1(O)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278552 939750871 /nfs/dbraw/zinc/75/08/71/939750871.db2.gz FNLKXVKYNQHNLK-UHFFFAOYSA-N 0 3 251.326 1.835 20 10 CDCDHN OC[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204326384 939756086 /nfs/dbraw/zinc/75/60/86/939756086.db2.gz XQHCLLDHIAEJFK-WBVHZDCISA-N 0 3 290.407 1.462 20 10 CDCDHN N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197980 939995954 /nfs/dbraw/zinc/99/59/54/939995954.db2.gz KPSHHVIZFFWHEM-GXSJLCMTSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197980 939995959 /nfs/dbraw/zinc/99/59/59/939995959.db2.gz KPSHHVIZFFWHEM-GXSJLCMTSA-N 0 3 274.286 1.932 20 10 CDCDHN O=C1c2cccc([O-])c2C(=O)c2c(OC3C[NH2+]C3)cccc21 ZINC001218050181 941037772 /nfs/dbraw/zinc/03/77/72/941037772.db2.gz PZETWADNATXUIK-UHFFFAOYSA-N 0 3 295.294 1.518 20 10 CDCDHN CC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486315 943593947 /nfs/dbraw/zinc/59/39/47/943593947.db2.gz IKIXCUPMCSNQBX-JTQLQIEISA-N 0 3 265.309 1.604 20 10 CDCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(CO)C3)c2c1 ZINC001234552881 943891009 /nfs/dbraw/zinc/89/10/09/943891009.db2.gz NKCHLIKJCJORRD-UHFFFAOYSA-N 0 3 273.332 1.978 20 10 CDCDHN [O-]c1cc(Cl)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051682 944024639 /nfs/dbraw/zinc/02/46/39/944024639.db2.gz BEUGBFFABAGGTO-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN COCC1CN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237671419 944916998 /nfs/dbraw/zinc/91/69/98/944916998.db2.gz BUMLYNZKSPFFES-UHFFFAOYSA-N 0 3 267.325 1.488 20 10 CDCDHN COc1cc(CN2CC[C@@H](C(C)=O)C2)c(O)c(OC)c1 ZINC001237680348 944922502 /nfs/dbraw/zinc/92/25/02/944922502.db2.gz JEZOTFHDHLOHFT-LLVKDONJSA-N 0 3 279.336 1.820 20 10 CDCDHN CC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238060658 945045571 /nfs/dbraw/zinc/04/55/71/945045571.db2.gz DHXYKMNAAHWRRG-CQSZACIVSA-N 0 3 280.343 1.940 20 10 CDCDHN C[N@@H+]1CCC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001254507549 947468240 /nfs/dbraw/zinc/46/82/40/947468240.db2.gz MMLOTZSJCPMZLG-LBPRGKRZSA-N 0 3 278.352 1.354 20 10 CDCDHN C[N@H+]1CCC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001254507549 947468267 /nfs/dbraw/zinc/46/82/67/947468267.db2.gz MMLOTZSJCPMZLG-LBPRGKRZSA-N 0 3 278.352 1.354 20 10 CDCDHN C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC001256320771 948270512 /nfs/dbraw/zinc/27/05/12/948270512.db2.gz XTKDVKOCKSADEZ-GFCCVEGCSA-N 0 3 278.352 1.119 20 10 CDCDHN CC(C)(C)OC(=O)[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253701724 952048612 /nfs/dbraw/zinc/04/86/12/952048612.db2.gz QZXAFEXZRYFDIZ-CYBMUJFWSA-N 0 3 293.363 1.414 20 10 CDCDHN Cn1cccc1CNC(=S)NCCN1CCCCC1 ZINC001200433272 968195237 /nfs/dbraw/zinc/19/52/37/968195237.db2.gz JRWGEPHXWQETCF-UHFFFAOYSA-N 0 3 280.441 1.475 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000185364167 357536753 /nfs/dbraw/zinc/53/67/53/357536753.db2.gz RNCZTBBHTJNPRB-GJZGRUSLSA-N 0 3 291.439 1.987 20 10 CDCDHN COCCO[C@@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000188811057 357939832 /nfs/dbraw/zinc/93/98/32/357939832.db2.gz MZYNYLIMWKMKTC-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000188811057 357939834 /nfs/dbraw/zinc/93/98/34/357939834.db2.gz MZYNYLIMWKMKTC-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000188811057 357939837 /nfs/dbraw/zinc/93/98/37/357939837.db2.gz MZYNYLIMWKMKTC-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000020120768 358329024 /nfs/dbraw/zinc/32/90/24/358329024.db2.gz PSXHYGMNXVDIGR-UHFFFAOYSA-N 0 3 294.395 1.601 20 10 CDCDHN COc1cccc(C[NH2+]CC2(OC)CCOCC2)c1[O-] ZINC000123209465 360268646 /nfs/dbraw/zinc/26/86/46/360268646.db2.gz WRRLPOMEXJLGIT-UHFFFAOYSA-N 0 3 281.352 1.686 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@@H]1O ZINC000271907412 365006441 /nfs/dbraw/zinc/00/64/41/365006441.db2.gz LUIQTNJOUVZVPH-MFKMUULPSA-N 0 3 281.352 1.612 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C[C@@H]1O ZINC000271907412 365006444 /nfs/dbraw/zinc/00/64/44/365006444.db2.gz LUIQTNJOUVZVPH-MFKMUULPSA-N 0 3 281.352 1.612 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CC1CCOCC1)OCO2 ZINC000110904302 365340509 /nfs/dbraw/zinc/34/05/09/365340509.db2.gz ZGUCLIVHBQLTFR-UHFFFAOYSA-N 0 3 265.309 1.637 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282433581 367882452 /nfs/dbraw/zinc/88/24/52/367882452.db2.gz FKVSACJQULGSMY-UHFFFAOYSA-N 0 3 299.342 1.179 20 10 CDCDHN CCN1CCN(Cc2cccc(OC)c2O)[C@H](C)C1 ZINC000289199481 369531642 /nfs/dbraw/zinc/53/16/42/369531642.db2.gz BGEJDIODZMINOR-GFCCVEGCSA-N 0 3 264.369 1.927 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000273580547 371168385 /nfs/dbraw/zinc/16/83/85/371168385.db2.gz MOGRIWUIKKVVJM-WCBMZHEXSA-N 0 3 252.289 1.413 20 10 CDCDHN Cn1cc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000295778450 371396936 /nfs/dbraw/zinc/39/69/36/371396936.db2.gz ATZBNMDZHVBMSW-ZDUSSCGKSA-N 0 3 257.337 1.945 20 10 CDCDHN COCCOCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295909289 371401143 /nfs/dbraw/zinc/40/11/43/371401143.db2.gz JCXZHMVYJMVIJM-LBPRGKRZSA-N 0 3 251.326 1.632 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665157 390904030 /nfs/dbraw/zinc/90/40/30/390904030.db2.gz RZJKNIKDUWMASC-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665157 390904033 /nfs/dbraw/zinc/90/40/33/390904033.db2.gz RZJKNIKDUWMASC-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1[O-] ZINC000124707863 391224785 /nfs/dbraw/zinc/22/47/85/391224785.db2.gz WCOSEHAETWQQDE-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN CCOc1cccc(CNCc2cnnn2CC)c1O ZINC000527729528 392987827 /nfs/dbraw/zinc/98/78/27/392987827.db2.gz ZFIDEEQEHZGRNJ-UHFFFAOYSA-N 0 3 276.340 1.692 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083265 174092711 /nfs/dbraw/zinc/09/27/11/174092711.db2.gz RCJRJCPSWZXEIY-RYUDHWBXSA-N 0 3 283.393 1.786 20 10 CDCDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000128310625 260374100 /nfs/dbraw/zinc/37/41/00/260374100.db2.gz VREOYWROIPXGRA-GFCCVEGCSA-N 0 3 275.396 1.929 20 10 CDCDHN CC[C@@H](C(=O)NCc1cccc(OC)c1O)N(C)C ZINC000155365447 261101123 /nfs/dbraw/zinc/10/11/23/261101123.db2.gz QAUVEVIHNPDIRP-NSHDSACASA-N 0 3 266.341 1.357 20 10 CDCDHN C[C@@H](NCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000185226600 262047202 /nfs/dbraw/zinc/04/72/02/262047202.db2.gz UBLWSPUSPBCXCY-LLVKDONJSA-N 0 3 297.420 1.966 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000186178303 262083341 /nfs/dbraw/zinc/08/33/41/262083341.db2.gz ZHKCYZROLNUMLE-SMDDNHRTSA-N 0 3 251.326 1.503 20 10 CDCDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000281249105 277255001 /nfs/dbraw/zinc/25/50/01/277255001.db2.gz WZPQYAXEYIWWTM-MRXNPFEDSA-N 0 3 293.386 1.850 20 10 CDCDHN CS[C@@H](CO)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000219057699 329144635 /nfs/dbraw/zinc/14/46/35/329144635.db2.gz JWVBYFWIJHJNMB-FZMZJTMJSA-N 0 3 268.426 1.955 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218372 327190182 /nfs/dbraw/zinc/19/01/82/327190182.db2.gz FIVFFBYWGXQOFZ-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218372 327190183 /nfs/dbraw/zinc/19/01/83/327190183.db2.gz FIVFFBYWGXQOFZ-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc(C[NH2+]CCCN2CCN(C)CC2)c1[O-] ZINC000159732366 330850829 /nfs/dbraw/zinc/85/08/29/330850829.db2.gz NXVPLYZPJUXNGW-UHFFFAOYSA-N 0 3 277.412 1.428 20 10 CDCDHN CC(C)[C@@H](CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000230688564 333321070 /nfs/dbraw/zinc/32/10/70/333321070.db2.gz PGLVDZPBWNMSEV-LLVKDONJSA-N 0 3 267.325 1.618 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000278575964 520368339 /nfs/dbraw/zinc/36/83/39/520368339.db2.gz FEAJQRIOXLPWMG-BLLLJJGKSA-N 0 3 295.379 1.811 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)C(C)S(C)(=O)=O ZINC000265213036 521689310 /nfs/dbraw/zinc/68/93/10/521689310.db2.gz RRIVFEJTQBMMJS-LLVKDONJSA-N 0 3 299.392 1.564 20 10 CDCDHN COC[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000278682997 522751608 /nfs/dbraw/zinc/75/16/08/522751608.db2.gz PDVRVVKPHUDCMH-GOEBONIOSA-N 0 3 277.364 1.905 20 10 CDCDHN CO[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1OC ZINC000277101874 523739215 /nfs/dbraw/zinc/73/92/15/523739215.db2.gz VKVFVQYHXXCFHR-GASCZTMLSA-N 0 3 265.353 1.855 20 10 CDCDHN CO[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1OC ZINC000277101874 523739223 /nfs/dbraw/zinc/73/92/23/523739223.db2.gz VKVFVQYHXXCFHR-GASCZTMLSA-N 0 3 265.353 1.855 20 10 CDCDHN C[C@H]1OCC[C@@]12CN(Cc1ccccc1O)CCO2 ZINC000279748063 525043314 /nfs/dbraw/zinc/04/33/14/525043314.db2.gz YEWJWVWWIXNRNO-IUODEOHRSA-N 0 3 263.337 1.772 20 10 CDCDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C ZINC000237585548 525416760 /nfs/dbraw/zinc/41/67/60/525416760.db2.gz LKHKLZSRCSCJRB-IUODEOHRSA-N 0 3 275.396 1.752 20 10 CDCDHN [O-]c1cccc(Cl)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000264978898 526364239 /nfs/dbraw/zinc/36/42/39/526364239.db2.gz SYASACJRPXLLNU-NSHDSACASA-N 0 3 284.787 1.592 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000768448104 575130414 /nfs/dbraw/zinc/13/04/14/575130414.db2.gz BKRVGTSVDVJQNL-ZWNOBZJWSA-N 0 3 265.309 1.039 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000768448104 575130416 /nfs/dbraw/zinc/13/04/16/575130416.db2.gz BKRVGTSVDVJQNL-ZWNOBZJWSA-N 0 3 265.309 1.039 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(C=O)CC2)c1 ZINC000774245308 575191160 /nfs/dbraw/zinc/19/11/60/575191160.db2.gz SWWZDRUJAAAQRD-UHFFFAOYSA-N 0 3 264.325 1.111 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770751725 575495085 /nfs/dbraw/zinc/49/50/85/575495085.db2.gz AOYONOIIEPLJEZ-BLLLJJGKSA-N 0 3 293.363 1.829 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000771928179 575637896 /nfs/dbraw/zinc/63/78/96/575637896.db2.gz QUAMRBMHPFPTPE-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CO)C1 ZINC000771928179 575637899 /nfs/dbraw/zinc/63/78/99/575637899.db2.gz QUAMRBMHPFPTPE-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1c([O-])cccc1OC ZINC000768993365 576321531 /nfs/dbraw/zinc/32/15/31/576321531.db2.gz VHZGWLCGGAMPJN-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1c([O-])cccc1OC ZINC000768993365 576321533 /nfs/dbraw/zinc/32/15/33/576321533.db2.gz VHZGWLCGGAMPJN-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000754887782 576920833 /nfs/dbraw/zinc/92/08/33/576920833.db2.gz FNDFUKGSDIPWBF-GFCCVEGCSA-N 0 3 299.392 1.458 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000756537397 576994278 /nfs/dbraw/zinc/99/42/78/576994278.db2.gz YPZIZDFMQYYFHA-NWDGAFQWSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c([O-])c1C ZINC000756554794 576995426 /nfs/dbraw/zinc/99/54/26/576995426.db2.gz JEMUODOSNHXXPQ-CHWSQXEVSA-N 0 3 266.385 1.582 20 10 CDCDHN CCc1nncn1CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000756618563 576997512 /nfs/dbraw/zinc/99/75/12/576997512.db2.gz CQBAVLLHCJPMKO-LLVKDONJSA-N 0 3 290.367 1.906 20 10 CDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000757663530 577049255 /nfs/dbraw/zinc/04/92/55/577049255.db2.gz CBVROKSKVSKPSN-FZMZJTMJSA-N 0 3 289.379 1.674 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893964282 618224551 /nfs/dbraw/zinc/22/45/51/618224551.db2.gz QEXKVNXKACFXSZ-JTQLQIEISA-N 0 3 296.367 1.366 20 10 CDCDHN COc1cc(C)cc(CN2CCN3CCOC[C@H]3C2)c1O ZINC000894455458 618896867 /nfs/dbraw/zinc/89/68/67/618896867.db2.gz CLIZGPFSUABOLF-CQSZACIVSA-N 0 3 292.379 1.226 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894542063 618952242 /nfs/dbraw/zinc/95/22/42/618952242.db2.gz WSRWLMQIKMDSQX-LLVKDONJSA-N 0 3 280.368 1.666 20 10 CDCDHN [O-]c1ccc(Br)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841034508 621042017 /nfs/dbraw/zinc/04/20/17/621042017.db2.gz DQSFCOHUNVMXGT-NSHDSACASA-N 0 3 285.185 1.996 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000897683568 621071147 /nfs/dbraw/zinc/07/11/47/621071147.db2.gz DVPJXNFIGTUVAH-MLGOLLRUSA-N 0 3 294.370 1.475 20 10 CDCDHN CON(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104198 622047126 /nfs/dbraw/zinc/04/71/26/622047126.db2.gz QRZGKXYQRLYOET-AWEZNQCLSA-N 0 3 294.399 1.558 20 10 CDCDHN C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccccc1[O-] ZINC000879649997 1166392640 /nfs/dbraw/zinc/39/26/40/1166392640.db2.gz XAPQCKJWJDRCGA-LLVKDONJSA-N 0 3 258.321 1.942 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000858282239 837708711 /nfs/dbraw/zinc/70/87/11/837708711.db2.gz VHERMRRGFJZRMT-CYBMUJFWSA-N 0 3 289.379 1.737 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)CC2CC2)cc1 ZINC000312305109 835772395 /nfs/dbraw/zinc/77/23/95/835772395.db2.gz XUDKSGZSNZBISL-HNNXBMFYSA-N 0 3 275.396 1.838 20 10 CDCDHN C[NH2+]C[C@@H](C)NCc1cccc(Br)c1[O-] ZINC000853248851 836038897 /nfs/dbraw/zinc/03/88/97/836038897.db2.gz KYEBGYBCXUPKTD-MRVPVSSYSA-N 0 3 273.174 1.852 20 10 CDCDHN CNC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000853248851 836038909 /nfs/dbraw/zinc/03/89/09/836038909.db2.gz KYEBGYBCXUPKTD-MRVPVSSYSA-N 0 3 273.174 1.852 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCOC[C@H]1C ZINC000877150066 836269155 /nfs/dbraw/zinc/26/91/55/836269155.db2.gz LJBLJHXGAFNSNN-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848565617 836272589 /nfs/dbraw/zinc/27/25/89/836272589.db2.gz YQANBCYRUVYYSU-QWRGUYRKSA-N 0 3 272.352 1.729 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)CC(=O)NC)c([O-])c1 ZINC000825068845 836367128 /nfs/dbraw/zinc/36/71/28/836367128.db2.gz YNZIGANSMAWXIQ-SNVBAGLBSA-N 0 3 266.341 1.405 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000800291485 836809987 /nfs/dbraw/zinc/80/99/87/836809987.db2.gz AUYKJNOGAHBITF-JTQLQIEISA-N 0 3 284.331 1.355 20 10 CDCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886511451 836879823 /nfs/dbraw/zinc/87/98/23/836879823.db2.gz UHJDJKYGBABKAU-VXGBXAGGSA-N 0 3 282.359 1.639 20 10 CDCDHN C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000782871455 838094329 /nfs/dbraw/zinc/09/43/29/838094329.db2.gz SOYCREFMAWISNP-VIFPVBQESA-N 0 3 254.355 1.477 20 10 CDCDHN CCCC[C@@H](CN)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841029978 838150004 /nfs/dbraw/zinc/15/00/04/838150004.db2.gz IGZADMWCFGKDOV-NSHDSACASA-N 0 3 297.355 1.916 20 10 CDCDHN C[C@@H](O)[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636683 839148387 /nfs/dbraw/zinc/14/83/87/839148387.db2.gz YTUVAESGIGHMRD-MLGOLLRUSA-N 0 3 279.380 1.879 20 10 CDCDHN C[C@@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636683 839148401 /nfs/dbraw/zinc/14/84/01/839148401.db2.gz YTUVAESGIGHMRD-MLGOLLRUSA-N 0 3 279.380 1.879 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000877045622 839802738 /nfs/dbraw/zinc/80/27/38/839802738.db2.gz YHUBZJFLZCKWRR-ZDUSSCGKSA-N 0 3 265.353 1.986 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c([O-])c1 ZINC000824709552 839868271 /nfs/dbraw/zinc/86/82/71/839868271.db2.gz RBCRTOASPLKSHX-CZUORRHYSA-N 0 3 295.379 1.932 20 10 CDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000711727969 839989662 /nfs/dbraw/zinc/98/96/62/839989662.db2.gz UHVYLGDNIURZRX-RISCZKNCSA-N 0 3 282.409 1.275 20 10 CDCDHN CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794649464 840095625 /nfs/dbraw/zinc/09/56/25/840095625.db2.gz LHUMMPAFXKWLFS-GOEBONIOSA-N 0 3 293.363 1.819 20 10 CDCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794649464 840095632 /nfs/dbraw/zinc/09/56/32/840095632.db2.gz LHUMMPAFXKWLFS-GOEBONIOSA-N 0 3 293.363 1.819 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCN1C ZINC000858236055 840191320 /nfs/dbraw/zinc/19/13/20/840191320.db2.gz ZFJHRUUIZQDVOY-LLVKDONJSA-N 0 3 250.342 1.585 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCCn2cncn2)c1[O-] ZINC000381818569 840216163 /nfs/dbraw/zinc/21/61/63/840216163.db2.gz UDANVRPKVUKJHP-UHFFFAOYSA-N 0 3 296.758 1.826 20 10 CDCDHN C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981631 840498218 /nfs/dbraw/zinc/49/82/18/840498218.db2.gz MDGLMWSXNSWLSE-MWLCHTKSSA-N 0 3 286.322 1.700 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777222852 840708639 /nfs/dbraw/zinc/70/86/39/840708639.db2.gz UMRJVILNJHEUER-NSHDSACASA-N 0 3 274.324 1.439 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000777222852 840708657 /nfs/dbraw/zinc/70/86/57/840708657.db2.gz UMRJVILNJHEUER-NSHDSACASA-N 0 3 274.324 1.439 20 10 CDCDHN Cc1cccc(O)c1CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000877545220 840745827 /nfs/dbraw/zinc/74/58/27/840745827.db2.gz HDTDRXLLSMWTOJ-LBPRGKRZSA-N 0 3 298.408 1.166 20 10 CDCDHN COc1ccc(CNC(=[NH2+])N2CCCCC2)c([O-])c1 ZINC000849025065 840949512 /nfs/dbraw/zinc/94/95/12/840949512.db2.gz LYOORDBKLIYXKV-UHFFFAOYSA-N 0 3 263.341 1.911 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000877597074 841013108 /nfs/dbraw/zinc/01/31/08/841013108.db2.gz YSCYYFWYBKFOSQ-LLVKDONJSA-N 0 3 273.340 1.182 20 10 CDCDHN CO[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000231293643 841229232 /nfs/dbraw/zinc/22/92/32/841229232.db2.gz WERUKKBQFKDGFR-CYBMUJFWSA-N 0 3 255.289 1.426 20 10 CDCDHN CCN(CC)CC(=O)NCc1ccc(OC)cc1O ZINC000794376591 841315360 /nfs/dbraw/zinc/31/53/60/841315360.db2.gz GKQQMFZZHKTCKF-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN C[C@H]([NH2+]CCN1CCCOCC1)c1ccccc1[O-] ZINC000812830832 841428297 /nfs/dbraw/zinc/42/82/97/841428297.db2.gz XVMSNZMPSTYNHL-ZDUSSCGKSA-N 0 3 264.369 1.765 20 10 CDCDHN CCN1CCN([C@@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000827500439 841850003 /nfs/dbraw/zinc/85/00/03/841850003.db2.gz AOOLSTXBORETAZ-NSHDSACASA-N 0 3 297.424 1.210 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000824987845 841851425 /nfs/dbraw/zinc/85/14/25/841851425.db2.gz CGNPVEASILWXRV-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)[C@H]1C ZINC000787421510 841985653 /nfs/dbraw/zinc/98/56/53/841985653.db2.gz STHJNGAUVINHGA-WDEREUQCSA-N 0 3 279.336 1.784 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)[C@H]1C ZINC000787421510 841985673 /nfs/dbraw/zinc/98/56/73/841985673.db2.gz STHJNGAUVINHGA-WDEREUQCSA-N 0 3 279.336 1.784 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000134231920 842363602 /nfs/dbraw/zinc/36/36/02/842363602.db2.gz UNOQNVLLSXWOPM-ZDUSSCGKSA-N 0 3 251.326 1.269 20 10 CDCDHN CN(CCOCC[NH3+])Cc1c([O-])ccc(Cl)c1F ZINC000863652675 842800743 /nfs/dbraw/zinc/80/07/43/842800743.db2.gz UFXASBRSXVNEGJ-UHFFFAOYSA-N 0 3 276.739 1.592 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173733864 912755869 /nfs/dbraw/zinc/75/58/69/912755869.db2.gz KJMDNUQTUBODOL-OLZOCXBDSA-N 0 3 273.340 1.652 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1O ZINC001204277311 916571112 /nfs/dbraw/zinc/57/11/12/916571112.db2.gz YPURRBAJSGGWNH-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1O ZINC001204277311 916571127 /nfs/dbraw/zinc/57/11/27/916571127.db2.gz YPURRBAJSGGWNH-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN1CC[C@]12CCOC2 ZINC001138499910 936543199 /nfs/dbraw/zinc/54/31/99/936543199.db2.gz ORTSMJYKTKSSHL-QGZVFWFLSA-N 0 3 288.391 1.888 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)c(OC)c1 ZINC001141031317 936795085 /nfs/dbraw/zinc/79/50/85/936795085.db2.gz CTPWPYZFCQEKBY-LLVKDONJSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)c(OC)c1 ZINC001141031317 936795088 /nfs/dbraw/zinc/79/50/88/936795088.db2.gz CTPWPYZFCQEKBY-LLVKDONJSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC001141026234 936793969 /nfs/dbraw/zinc/79/39/69/936793969.db2.gz ISGOUBFGZXDVOZ-SNVBAGLBSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC001141026234 936793971 /nfs/dbraw/zinc/79/39/71/936793971.db2.gz ISGOUBFGZXDVOZ-SNVBAGLBSA-N 0 3 267.325 1.366 20 10 CDCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccccc1O ZINC000400752426 937260764 /nfs/dbraw/zinc/26/07/64/937260764.db2.gz DHFCBDDCRXEHCG-ZYHUDNBSSA-N 0 3 250.342 1.772 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697579825 937283991 /nfs/dbraw/zinc/28/39/91/937283991.db2.gz OIZLBUXYXLFFQB-ZYHUDNBSSA-N 0 3 271.382 1.866 20 10 CDCDHN CC[C@@]12C[C@@H](CO1)N(Cc1c(O)cc(O)cc1O)C2 ZINC001144515570 931878582 /nfs/dbraw/zinc/87/85/82/931878582.db2.gz QSQLMCSLAQJMDZ-XPTSAGLGSA-N 0 3 265.309 1.557 20 10 CDCDHN CC[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144514974 931879129 /nfs/dbraw/zinc/87/91/29/931879129.db2.gz ZVCSHIOAEDRQRJ-VIFPVBQESA-N 0 3 253.298 1.414 20 10 CDCDHN CN1CC2(C1)CCCN(Cc1ccc(O)c(O)c1)C2 ZINC001275821027 932063582 /nfs/dbraw/zinc/06/35/82/932063582.db2.gz GLMJRUPPBFQPSN-UHFFFAOYSA-N 0 3 262.353 1.625 20 10 CDCDHN CN(CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253963539 936184938 /nfs/dbraw/zinc/18/49/38/936184938.db2.gz UNXMXQRPRIOIHE-UHFFFAOYSA-N 0 3 281.375 1.002 20 10 CDCDHN Oc1ccc(CN2CC(N3CCCCC3)C2)cc1O ZINC001203879301 939710769 /nfs/dbraw/zinc/71/07/69/939710769.db2.gz IAQAVROUYOIMNZ-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN C[C@]1(O)CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204273082 939750166 /nfs/dbraw/zinc/75/01/66/939750166.db2.gz XFHABJLUBOOZLV-AWEZNQCLSA-N 0 3 251.326 1.835 20 10 CDCDHN C[C@]1(O)CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204273082 939750169 /nfs/dbraw/zinc/75/01/69/939750169.db2.gz XFHABJLUBOOZLV-AWEZNQCLSA-N 0 3 251.326 1.835 20 10 CDCDHN COCCCCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204281804 939751909 /nfs/dbraw/zinc/75/19/09/939751909.db2.gz KOIUELGROKNRCJ-UHFFFAOYSA-N 0 3 294.395 1.642 20 10 CDCDHN Cn1cncc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000401765653 940879607 /nfs/dbraw/zinc/87/96/07/940879607.db2.gz LKBZMIIXNXXLOC-CYBMUJFWSA-N 0 3 257.337 1.945 20 10 CDCDHN COC(=O)[C@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231633900 942948966 /nfs/dbraw/zinc/94/89/66/942948966.db2.gz CNCNNQCRQPEDQX-JTQLQIEISA-N 0 3 295.335 1.491 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@](C)(O)C1 ZINC001231851544 943029247 /nfs/dbraw/zinc/02/92/47/943029247.db2.gz IYYVOWGMQAKPCV-HNNXBMFYSA-N 0 3 264.369 1.718 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](OC)C1 ZINC001231852230 943030640 /nfs/dbraw/zinc/03/06/40/943030640.db2.gz SGIHWONLCONRLV-CQSZACIVSA-N 0 3 264.369 1.982 20 10 CDCDHN CCN(Cc1cc(O)c(O)c(O)c1)CC(C)(C)O ZINC001233015753 943463638 /nfs/dbraw/zinc/46/36/38/943463638.db2.gz ABUDOEATWFKRLM-UHFFFAOYSA-N 0 3 255.314 1.396 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](C(C)=O)C2)cc1OC ZINC001236757266 944560872 /nfs/dbraw/zinc/56/08/72/944560872.db2.gz JKUMGVWDTKDZTG-NSHDSACASA-N 0 3 279.336 1.820 20 10 CDCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001236787321 944569262 /nfs/dbraw/zinc/56/92/62/944569262.db2.gz KWLHFZXNJDGLAV-KGLIPLIRSA-N 0 3 274.364 1.475 20 10 CDCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001236787321 944569271 /nfs/dbraw/zinc/56/92/71/944569271.db2.gz KWLHFZXNJDGLAV-KGLIPLIRSA-N 0 3 274.364 1.475 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC001236807189 944574286 /nfs/dbraw/zinc/57/42/86/944574286.db2.gz DLJJIVANRFSNLT-UHFFFAOYSA-N 0 3 265.353 1.914 20 10 CDCDHN COc1cc(C)c(CN2CC(N(C)C)C2)c(O)c1 ZINC001236819687 944581587 /nfs/dbraw/zinc/58/15/87/944581587.db2.gz ZGLKTCJTRRLZEB-UHFFFAOYSA-N 0 3 250.342 1.455 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001237484309 944810177 /nfs/dbraw/zinc/81/01/77/944810177.db2.gz BESBWUBCAISSLW-HUUCEWRRSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001237484309 944810184 /nfs/dbraw/zinc/81/01/84/944810184.db2.gz BESBWUBCAISSLW-HUUCEWRRSA-N 0 3 265.353 1.266 20 10 CDCDHN COC[C@H]1CCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172320 949440738 /nfs/dbraw/zinc/44/07/38/949440738.db2.gz LEXMWSXDALOSPK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COC[C@H]1CCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172320 949440749 /nfs/dbraw/zinc/44/07/49/949440749.db2.gz LEXMWSXDALOSPK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(C)c(C)cc1O ZINC001326990054 954650442 /nfs/dbraw/zinc/65/04/42/954650442.db2.gz DDZMUIOPHXYEEB-AWEZNQCLSA-N 0 3 292.379 1.346 20 10 CDCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1C1CC1 ZINC001308303258 956512962 /nfs/dbraw/zinc/51/29/62/956512962.db2.gz GIKULNVDAKBBNI-ZDUSSCGKSA-N 0 3 272.348 1.474 20 10 CDCDHN Cc1ccc(CNCc2cc(=O)n3ccccc3n2)c(O)c1 ZINC001308844301 956587230 /nfs/dbraw/zinc/58/72/30/956587230.db2.gz RXENVTGPABGPGQ-UHFFFAOYSA-N 0 3 295.342 1.998 20 10 CDCDHN COCn1ncc(C)c1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC001333764331 958577160 /nfs/dbraw/zinc/57/71/60/958577160.db2.gz YOTZYTWGYRJSJW-UHFFFAOYSA-N 0 3 291.351 1.799 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180081891 357242420 /nfs/dbraw/zinc/24/24/20/357242420.db2.gz QJUPQJSOGILEOK-CYBMUJFWSA-N 0 3 276.315 1.960 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180081891 357242424 /nfs/dbraw/zinc/24/24/24/357242424.db2.gz QJUPQJSOGILEOK-CYBMUJFWSA-N 0 3 276.315 1.960 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000180200579 357251035 /nfs/dbraw/zinc/25/10/35/357251035.db2.gz JNUHXOMKWOMMFM-CYBMUJFWSA-N 0 3 294.370 1.685 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000180200579 357251040 /nfs/dbraw/zinc/25/10/40/357251040.db2.gz JNUHXOMKWOMMFM-CYBMUJFWSA-N 0 3 294.370 1.685 20 10 CDCDHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193132084 358268783 /nfs/dbraw/zinc/26/87/83/358268783.db2.gz ZUHDWLQAFZBXIB-LBPRGKRZSA-N 0 3 292.379 1.806 20 10 CDCDHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000193132084 358268785 /nfs/dbraw/zinc/26/87/85/358268785.db2.gz ZUHDWLQAFZBXIB-LBPRGKRZSA-N 0 3 292.379 1.806 20 10 CDCDHN C[S@](=O)C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000280758797 363640784 /nfs/dbraw/zinc/64/07/84/363640784.db2.gz YLUADTGILPJDID-KRWDZBQOSA-N 0 3 253.367 1.783 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)CCO)c1 ZINC000224874922 359534357 /nfs/dbraw/zinc/53/43/57/359534357.db2.gz DYMCJFQDCKHKER-UHFFFAOYSA-N 0 3 253.342 1.899 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000230690051 360343106 /nfs/dbraw/zinc/34/31/06/360343106.db2.gz SAHGYRNIJDIZKL-LBPRGKRZSA-N 0 3 253.342 1.897 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1 ZINC000530228164 361498467 /nfs/dbraw/zinc/49/84/67/361498467.db2.gz YCUHKWLPBQQEPF-RYUDHWBXSA-N 0 3 250.342 1.340 20 10 CDCDHN CCC[N@H+](CCO)Cc1cc(OCC)ccc1[O-] ZINC000271053253 364895721 /nfs/dbraw/zinc/89/57/21/364895721.db2.gz XSOFYBNRFTVXAJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCC[N@@H+](CCO)Cc1cc(OCC)ccc1[O-] ZINC000271053253 364895726 /nfs/dbraw/zinc/89/57/26/364895726.db2.gz XSOFYBNRFTVXAJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CNS(=O)(=O)C1CCN(Cc2cc(C)ccc2O)CC1 ZINC000271173038 364959113 /nfs/dbraw/zinc/95/91/13/364959113.db2.gz JMMRSEQYXCNIHL-UHFFFAOYSA-N 0 3 298.408 1.214 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000171926514 365432147 /nfs/dbraw/zinc/43/21/47/365432147.db2.gz WVAIEUUOOVJRIC-ZDUSSCGKSA-N 0 3 261.325 1.082 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000171926514 365432153 /nfs/dbraw/zinc/43/21/53/365432153.db2.gz WVAIEUUOOVJRIC-ZDUSSCGKSA-N 0 3 261.325 1.082 20 10 CDCDHN CN(C)c1ccc(CNCCO)c(C(F)(F)F)c1 ZINC000280435999 367391849 /nfs/dbraw/zinc/39/18/49/367391849.db2.gz XUEONXZMFKINHF-UHFFFAOYSA-N 0 3 262.275 1.853 20 10 CDCDHN CNC(=O)C[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000269002689 370989571 /nfs/dbraw/zinc/98/95/71/370989571.db2.gz LYEGADUUXLIYQH-GFCCVEGCSA-N 0 3 275.396 1.683 20 10 CDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295170151 371139707 /nfs/dbraw/zinc/13/97/07/371139707.db2.gz LISMIINEWHAROO-LBPRGKRZSA-N 0 3 287.407 1.826 20 10 CDCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296243938 371419826 /nfs/dbraw/zinc/41/98/26/371419826.db2.gz AXIHOWWINNCHOU-JQWIXIFHSA-N 0 3 262.353 1.836 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](O)CC1)OCO2 ZINC000293889853 378599030 /nfs/dbraw/zinc/59/90/30/378599030.db2.gz DSBFUHCGZFCPEG-LLVKDONJSA-N 0 3 265.309 1.468 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](O)CC1)OCO2 ZINC000293889853 378599034 /nfs/dbraw/zinc/59/90/34/378599034.db2.gz DSBFUHCGZFCPEG-LLVKDONJSA-N 0 3 265.309 1.468 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCN2CCOCC2)c1 ZINC000092974930 390899021 /nfs/dbraw/zinc/89/90/21/390899021.db2.gz TWOMKDMCGFENNF-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000176755539 391157653 /nfs/dbraw/zinc/15/76/53/391157653.db2.gz RQRWDODAXHNALH-AWEZNQCLSA-N 0 3 283.393 1.749 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCO2 ZINC000193696440 391344276 /nfs/dbraw/zinc/34/42/76/391344276.db2.gz ZUIVLWCACXULQK-YGRLFVJLSA-N 0 3 260.337 1.236 20 10 CDCDHN Cc1cccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000372691658 391862000 /nfs/dbraw/zinc/86/20/00/391862000.db2.gz RNYQENHVLCHKTR-OAHLLOKOSA-N 0 3 276.336 1.775 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCCN(C)CC2)c1O ZINC000037322862 260087841 /nfs/dbraw/zinc/08/78/41/260087841.db2.gz HXIFOKISHRRYSI-UHFFFAOYSA-N 0 3 280.343 1.871 20 10 CDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185819771 327846405 /nfs/dbraw/zinc/84/64/05/327846405.db2.gz XJVALCGRQLZDPR-VUDBWIFFSA-N 0 3 265.309 1.538 20 10 CDCDHN CCCC[N@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000271861696 328198395 /nfs/dbraw/zinc/19/83/95/328198395.db2.gz YXEORTNXIJSCDJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCCC[N@@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000271861696 328198396 /nfs/dbraw/zinc/19/83/96/328198396.db2.gz YXEORTNXIJSCDJ-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COCCOCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226583422 329261577 /nfs/dbraw/zinc/26/15/77/329261577.db2.gz WSXYODDCPLUUTN-UHFFFAOYSA-N 0 3 257.305 1.674 20 10 CDCDHN COC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934713 333322692 /nfs/dbraw/zinc/32/26/92/333322692.db2.gz CSPQUDABBSVZDC-NSHDSACASA-N 0 3 289.759 1.541 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)c2c1c(F)ccc2[O-] ZINC000530222006 333528847 /nfs/dbraw/zinc/52/88/47/333528847.db2.gz FLKUPMQSUGYZLY-JFGNBEQYSA-N 0 3 280.343 1.658 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC)cc1 ZINC000291905911 520288417 /nfs/dbraw/zinc/28/84/17/520288417.db2.gz MEDRMNDPBLLFCC-NEPJUHHUSA-N 0 3 263.385 1.928 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000280370598 521149195 /nfs/dbraw/zinc/14/91/95/521149195.db2.gz VEZYMZMYGVTRNV-HNNXBMFYSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000280370598 521149206 /nfs/dbraw/zinc/14/92/06/521149206.db2.gz VEZYMZMYGVTRNV-HNNXBMFYSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H]2CCN(CCOC)C2)c1[O-] ZINC000264647394 521376529 /nfs/dbraw/zinc/37/65/29/521376529.db2.gz WMLUWIMLXSDQHD-AWEZNQCLSA-N 0 3 294.395 1.601 20 10 CDCDHN CC[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000280047718 521577937 /nfs/dbraw/zinc/57/79/37/521577937.db2.gz KHWBJTCRIKKMEV-UHFFFAOYSA-N 0 3 264.325 1.312 20 10 CDCDHN CNS(=O)(=O)CCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000275897315 522205318 /nfs/dbraw/zinc/20/53/18/522205318.db2.gz MOYFLTWNRKGTQG-NSHDSACASA-N 0 3 286.397 1.209 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](CO)COC)c1ccc(C)cc1[O-] ZINC000281230431 522919955 /nfs/dbraw/zinc/91/99/55/522919955.db2.gz URNAZVVVFJGFGT-WCQYABFASA-N 0 3 253.342 1.749 20 10 CDCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000298384893 524075696 /nfs/dbraw/zinc/07/56/96/524075696.db2.gz DRXFAPHETLFYMX-ZDUSSCGKSA-N 0 3 275.396 1.901 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617173 524629288 /nfs/dbraw/zinc/62/92/88/524629288.db2.gz WNLOJQUVGCCFKQ-RYUDHWBXSA-N 0 3 282.359 1.903 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCc2nnc(C)s2)c1 ZINC000291005415 524752531 /nfs/dbraw/zinc/75/25/31/524752531.db2.gz BHYFCLWWNGQSLT-UHFFFAOYSA-N 0 3 279.365 1.893 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800648 525348657 /nfs/dbraw/zinc/34/86/57/525348657.db2.gz SKOHVERWFZRSOO-AWEZNQCLSA-N 0 3 263.385 1.036 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290097444 526019873 /nfs/dbraw/zinc/01/98/73/526019873.db2.gz JZKKJGHAPHOUBB-NSHDSACASA-N 0 3 299.392 1.315 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000732273087 575085554 /nfs/dbraw/zinc/08/55/54/575085554.db2.gz VSZVHHUMSUNDAV-ZJUUUORDSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000732273087 575085555 /nfs/dbraw/zinc/08/55/55/575085555.db2.gz VSZVHHUMSUNDAV-ZJUUUORDSA-N 0 3 266.366 1.810 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000773889587 575843218 /nfs/dbraw/zinc/84/32/18/575843218.db2.gz YCJQCIYCVUTSJR-ZBFHGGJFSA-N 0 3 260.381 1.957 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(C)ccc2[O-])CCOC1 ZINC000766470207 576105021 /nfs/dbraw/zinc/10/50/21/576105021.db2.gz PSVBCNNPTOAPFL-HNNXBMFYSA-N 0 3 279.336 1.512 20 10 CDCDHN COC(=O)C[C@@]1(NCc2cc(C)ccc2O)CCOC1 ZINC000766470207 576105023 /nfs/dbraw/zinc/10/50/23/576105023.db2.gz PSVBCNNPTOAPFL-HNNXBMFYSA-N 0 3 279.336 1.512 20 10 CDCDHN COC(C)(C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463054 576287356 /nfs/dbraw/zinc/28/73/56/576287356.db2.gz FLXSYLQFQWXTIR-CYBMUJFWSA-N 0 3 281.352 1.675 20 10 CDCDHN COC(C)(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463054 576287358 /nfs/dbraw/zinc/28/73/58/576287358.db2.gz FLXSYLQFQWXTIR-CYBMUJFWSA-N 0 3 281.352 1.675 20 10 CDCDHN CN(C)c1ccc(CNC(=O)CN2C3CCC2CC3)cc1 ZINC000748816937 576927131 /nfs/dbraw/zinc/92/71/31/576927131.db2.gz WWUYYZXXSVKANY-UHFFFAOYSA-N 0 3 287.407 1.996 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000756769828 577003592 /nfs/dbraw/zinc/00/35/92/577003592.db2.gz NYYBHNQAKHRFCO-XDMRBOTDSA-N 0 3 281.327 1.821 20 10 CDCDHN C[C@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000220330960 617709712 /nfs/dbraw/zinc/70/97/12/617709712.db2.gz JPVANDYIRPXECW-ZANVPECISA-N 0 3 254.305 1.079 20 10 CDCDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1OC ZINC000893669268 617819069 /nfs/dbraw/zinc/81/90/69/617819069.db2.gz LSPGNJZXLQRISI-NEPJUHHUSA-N 0 3 294.395 1.934 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000841099710 618682247 /nfs/dbraw/zinc/68/22/47/618682247.db2.gz WERVYSUPOZFITJ-NSHDSACASA-N 0 3 286.759 1.132 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C1 ZINC000895574911 619732936 /nfs/dbraw/zinc/73/29/36/619732936.db2.gz AKPOCHVLCWJHRJ-GASCZTMLSA-N 0 3 274.364 1.611 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C1 ZINC000895574911 619732937 /nfs/dbraw/zinc/73/29/37/619732937.db2.gz AKPOCHVLCWJHRJ-GASCZTMLSA-N 0 3 274.364 1.611 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896960611 620321812 /nfs/dbraw/zinc/32/18/12/620321812.db2.gz NKRCIRCJTQOENL-JTQLQIEISA-N 0 3 267.300 1.916 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896960611 620321815 /nfs/dbraw/zinc/32/18/15/620321815.db2.gz NKRCIRCJTQOENL-JTQLQIEISA-N 0 3 267.300 1.916 20 10 CDCDHN CC(C)NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000157780715 630611687 /nfs/dbraw/zinc/61/16/87/630611687.db2.gz AIRBVYRSFBGIEZ-LBPRGKRZSA-N 0 3 263.385 1.755 20 10 CDCDHN NC(=O)[C@@H](F)C1CCN(Cc2ccc(N)cc2)CC1 ZINC001580085179 1172346805 /nfs/dbraw/zinc/34/68/05/1172346805.db2.gz VDIXEFGNVREFDW-ZDUSSCGKSA-N 0 3 265.332 1.304 20 10 CDCDHN COc1cccc(C[N@H+](C)C2CCN(C)CC2)c1[O-] ZINC000131732414 1175785995 /nfs/dbraw/zinc/78/59/95/1175785995.db2.gz ORILEODZSKRVCQ-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN COc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1[O-] ZINC000131732414 1175785998 /nfs/dbraw/zinc/78/59/98/1175785998.db2.gz ORILEODZSKRVCQ-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000083449304 844012193 /nfs/dbraw/zinc/01/21/93/844012193.db2.gz BBBYPTKXFFDNQT-CQSZACIVSA-N 0 3 261.369 1.496 20 10 CDCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1[NH3+] ZINC000300334666 844382694 /nfs/dbraw/zinc/38/26/94/844382694.db2.gz ANTFECHVKDRKQP-LDYMZIIASA-N 0 3 285.185 1.934 20 10 CDCDHN CC(C)N(C)CC(=O)N(C)Cc1ccccc1O ZINC000063467596 844533201 /nfs/dbraw/zinc/53/32/01/844533201.db2.gz CVQAGBYMUOZTRT-UHFFFAOYSA-N 0 3 250.342 1.691 20 10 CDCDHN COc1ccc(N2CCC(NC(=O)C3(N)CC3)CC2)cc1 ZINC000167236804 844596638 /nfs/dbraw/zinc/59/66/38/844596638.db2.gz NXNHVXRYDRGUIF-UHFFFAOYSA-N 0 3 289.379 1.272 20 10 CDCDHN [O-]c1c(Br)cccc1C[NH2+]C1CCNCC1 ZINC000841027202 844601870 /nfs/dbraw/zinc/60/18/70/844601870.db2.gz ZQEVLIDGYNQPHF-UHFFFAOYSA-N 0 3 285.185 1.996 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000817983008 844632198 /nfs/dbraw/zinc/63/21/98/844632198.db2.gz JKZUBDMPVPUDCP-ZYHUDNBSSA-N 0 3 284.787 1.993 20 10 CDCDHN CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)NC ZINC000922170798 843081256 /nfs/dbraw/zinc/08/12/56/843081256.db2.gz MLYFVEDFMSNKIZ-CYBMUJFWSA-N 0 3 262.353 1.626 20 10 CDCDHN CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NC ZINC000922170799 843431164 /nfs/dbraw/zinc/43/11/64/843431164.db2.gz MLYFVEDFMSNKIZ-ZDUSSCGKSA-N 0 3 262.353 1.626 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000857083949 843648570 /nfs/dbraw/zinc/64/85/70/843648570.db2.gz CAZCBRIBXGJPCG-DGCLKSJQSA-N 0 3 262.353 1.972 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1 ZINC000130003341 843812552 /nfs/dbraw/zinc/81/25/52/843812552.db2.gz VAZHZPUBIPSCPS-UHFFFAOYSA-N 0 3 278.396 1.589 20 10 CDCDHN CCN(CC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000300762917 844685747 /nfs/dbraw/zinc/68/57/47/844685747.db2.gz NLSJLVDCZVCTQP-UHFFFAOYSA-N 0 3 273.174 1.935 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000382576598 844750848 /nfs/dbraw/zinc/75/08/48/844750848.db2.gz UGCSOLDHPIGHFM-BXUZGUMPSA-N 0 3 253.342 1.749 20 10 CDCDHN Oc1cc2c(cc1CN1CCN(CC3CC3)CC1)OCO2 ZINC000054551138 844845440 /nfs/dbraw/zinc/84/54/40/844845440.db2.gz HKGITTFWVPYOPW-UHFFFAOYSA-N 0 3 290.363 1.649 20 10 CDCDHN C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000710892953 844937828 /nfs/dbraw/zinc/93/78/28/844937828.db2.gz YBMDSRVYANIGPN-RLCGTCKNSA-N 0 3 255.289 1.332 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCSCC1 ZINC000877149579 844960414 /nfs/dbraw/zinc/96/04/14/844960414.db2.gz CZORXHLDQUBMKE-UHFFFAOYSA-N 0 3 266.410 1.839 20 10 CDCDHN COc1ccc(CNC(=O)[C@H](N)CC2CC2)c(O)c1 ZINC000083477974 845109422 /nfs/dbraw/zinc/10/94/22/845109422.db2.gz YWZYSLIZWLBJSI-GFCCVEGCSA-N 0 3 264.325 1.144 20 10 CDCDHN CCN(C)c1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000815108532 845446893 /nfs/dbraw/zinc/44/68/93/845446893.db2.gz YXZQBGLJRWGSMQ-WFASDCNBSA-N 0 3 275.396 1.757 20 10 CDCDHN Cc1cc(Cn2cc([C@H](C)N)nn2)ccc1N(C)C ZINC000881377480 845503881 /nfs/dbraw/zinc/50/38/81/845503881.db2.gz OGZKPDLYKLOBPB-NSHDSACASA-N 0 3 259.357 1.721 20 10 CDCDHN COCC[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000884138784 845585633 /nfs/dbraw/zinc/58/56/33/845585633.db2.gz ZGDWGJBSKHGYAB-SECBINFHSA-N 0 3 289.426 1.105 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC2CC2)c1 ZINC000135727235 845715174 /nfs/dbraw/zinc/71/51/74/845715174.db2.gz LLBYJTYLUMPRMZ-VHSXEESVSA-N 0 3 278.352 1.719 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000778193312 845715254 /nfs/dbraw/zinc/71/52/54/845715254.db2.gz ZKLDBUBTNUZFQI-QWHCGFSZSA-N 0 3 251.326 1.650 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000862757757 845936597 /nfs/dbraw/zinc/93/65/97/845936597.db2.gz DESYXQKJIXEMDD-AWEZNQCLSA-N 0 3 264.369 1.903 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886525003 845994484 /nfs/dbraw/zinc/99/44/84/845994484.db2.gz VOMAWVBXFMFOGA-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCNC2)c1 ZINC000817942372 846323960 /nfs/dbraw/zinc/32/39/60/846323960.db2.gz YCIYDHLWNWGYKK-ZYHUDNBSSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817942372 846323964 /nfs/dbraw/zinc/32/39/64/846323964.db2.gz YCIYDHLWNWGYKK-ZYHUDNBSSA-N 0 3 278.352 1.581 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](COC)OC)c([O-])c1 ZINC000781416945 846324858 /nfs/dbraw/zinc/32/48/58/846324858.db2.gz UJXAIXNIYOHNSX-ZDUSSCGKSA-N 0 3 269.341 1.542 20 10 CDCDHN CC[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817953294 847054040 /nfs/dbraw/zinc/05/40/40/847054040.db2.gz ZGAXBJJWNUGHCI-JTQLQIEISA-N 0 3 266.341 1.439 20 10 CDCDHN CCNCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817953294 847054055 /nfs/dbraw/zinc/05/40/55/847054055.db2.gz ZGAXBJJWNUGHCI-JTQLQIEISA-N 0 3 266.341 1.439 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000322670498 847167872 /nfs/dbraw/zinc/16/78/72/847167872.db2.gz FRFMXVWCRQPXLR-GHMZBOCLSA-N 0 3 250.342 1.876 20 10 CDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc2c(c1)CCO2 ZINC000123550195 847586742 /nfs/dbraw/zinc/58/67/42/847586742.db2.gz BYJAHZAARQAMIN-INIZCTEOSA-N 0 3 293.363 1.679 20 10 CDCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)CC(F)F)cc1 ZINC000383794601 847762932 /nfs/dbraw/zinc/76/29/32/847762932.db2.gz NGDDVYINARVCSQ-LBPRGKRZSA-N 0 3 285.338 1.694 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@H]1OC ZINC000775978932 847783431 /nfs/dbraw/zinc/78/34/31/847783431.db2.gz PIBDSDALZOELRA-NILFDRSVSA-N 0 3 281.352 1.683 20 10 CDCDHN C[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851840866 848031324 /nfs/dbraw/zinc/03/13/24/848031324.db2.gz KBIFZMRRFCTAOZ-UHFFFAOYSA-N 0 3 289.383 1.808 20 10 CDCDHN C[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851840866 848031328 /nfs/dbraw/zinc/03/13/28/848031328.db2.gz KBIFZMRRFCTAOZ-UHFFFAOYSA-N 0 3 289.383 1.808 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179998 911437460 /nfs/dbraw/zinc/43/74/60/911437460.db2.gz QGDCHIXZUNPASO-KBPBESRZSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179998 911437465 /nfs/dbraw/zinc/43/74/65/911437465.db2.gz QGDCHIXZUNPASO-KBPBESRZSA-N 0 3 274.364 1.977 20 10 CDCDHN Cc1cc(CN2CC[C@H](F)[C@H](O)C2)ccc1N(C)C ZINC001139669570 936319659 /nfs/dbraw/zinc/31/96/59/936319659.db2.gz BEDUQKCRELTIOH-DZGCQCFKSA-N 0 3 266.360 1.966 20 10 CDCDHN CC(=O)N1CCN(Cc2c(C)cccc2O)C[C@H]1C ZINC001237489775 917445930 /nfs/dbraw/zinc/44/59/30/917445930.db2.gz DGAJGFKKNXVWTE-GFCCVEGCSA-N 0 3 262.353 1.753 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001183991891 918820765 /nfs/dbraw/zinc/82/07/65/918820765.db2.gz OJZKQSPUYLWEIW-IINYFYTJSA-N 0 3 251.326 1.522 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001183991891 918820774 /nfs/dbraw/zinc/82/07/74/918820774.db2.gz OJZKQSPUYLWEIW-IINYFYTJSA-N 0 3 251.326 1.522 20 10 CDCDHN CN1CC2(C1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138500969 936542869 /nfs/dbraw/zinc/54/28/69/936542869.db2.gz IMRUMTIJWKFAMV-UHFFFAOYSA-N 0 3 287.407 1.271 20 10 CDCDHN O=C1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCN12 ZINC001140056154 936674537 /nfs/dbraw/zinc/67/45/37/936674537.db2.gz JYHBSYLONMVQBQ-CYBMUJFWSA-N 0 3 278.327 1.728 20 10 CDCDHN O=C1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCN12 ZINC001140056154 936674538 /nfs/dbraw/zinc/67/45/38/936674538.db2.gz JYHBSYLONMVQBQ-CYBMUJFWSA-N 0 3 278.327 1.728 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026678 936794093 /nfs/dbraw/zinc/79/40/93/936794093.db2.gz YTNOWOIAYNLNDW-NEPJUHHUSA-N 0 3 293.363 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026678 936794095 /nfs/dbraw/zinc/79/40/95/936794095.db2.gz YTNOWOIAYNLNDW-NEPJUHHUSA-N 0 3 293.363 1.878 20 10 CDCDHN COc1cc(C(=O)N[C@@]2(C)CCCN(C)C2)cc(O)c1O ZINC001193119666 923463440 /nfs/dbraw/zinc/46/34/40/923463440.db2.gz KEMZHTATNYEOII-HNNXBMFYSA-N 0 3 294.351 1.321 20 10 CDCDHN CN1CC[C@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284141 925744988 /nfs/dbraw/zinc/74/49/88/925744988.db2.gz FVFKEJKRPOEKND-OAHLLOKOSA-N 0 3 278.327 1.728 20 10 CDCDHN C[C@H]1CCN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503841 931863923 /nfs/dbraw/zinc/86/39/23/931863923.db2.gz FIVVBIGAZTVGAT-VIFPVBQESA-N 0 3 265.309 1.604 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000686591898 934177158 /nfs/dbraw/zinc/17/71/58/934177158.db2.gz CPIAJXLUGVXQAU-TZMCWYRMSA-N 0 3 251.326 1.676 20 10 CDCDHN Oc1ccccc1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001203556448 939693370 /nfs/dbraw/zinc/69/33/70/939693370.db2.gz QCVOKWVEUWOQQB-IYBDPMFKSA-N 0 3 288.391 1.687 20 10 CDCDHN CC[N@H+](CCC(N)=O)Cc1ccc(OC)cc1[O-] ZINC001203629462 939697898 /nfs/dbraw/zinc/69/78/98/939697898.db2.gz LJGAXHMLHOVIPV-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CC[N@@H+](CCC(N)=O)Cc1ccc(OC)cc1[O-] ZINC001203629462 939697899 /nfs/dbraw/zinc/69/78/99/939697899.db2.gz LJGAXHMLHOVIPV-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(O)c(O)c1 ZINC001203874978 939710206 /nfs/dbraw/zinc/71/02/06/939710206.db2.gz GFZHPNDHSDWSTN-PWSUYJOCSA-N 0 3 251.326 1.691 20 10 CDCDHN COC(=O)CC[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203880707 939710984 /nfs/dbraw/zinc/71/09/84/939710984.db2.gz WQQQLPOFWOUSPI-NSHDSACASA-N 0 3 279.336 1.873 20 10 CDCDHN CCN1CCN(c2ccc(O[C@@H]3CCOC3=O)cc2)CC1 ZINC001234657229 943930202 /nfs/dbraw/zinc/93/02/02/943930202.db2.gz CRTAYYNZTVNNEP-OAHLLOKOSA-N 0 3 290.363 1.523 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783242 944565301 /nfs/dbraw/zinc/56/53/01/944565301.db2.gz IUHUZUATPSAARO-KGLIPLIRSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783242 944565308 /nfs/dbraw/zinc/56/53/08/944565308.db2.gz IUHUZUATPSAARO-KGLIPLIRSA-N 0 3 265.353 1.130 20 10 CDCDHN COc1cc(C)c(CN2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001236808746 944575444 /nfs/dbraw/zinc/57/54/44/944575444.db2.gz LOMSMFRVMGDNPZ-ZBFHGGJFSA-N 0 3 292.379 1.224 20 10 CDCDHN COC(=O)CC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236820249 944580352 /nfs/dbraw/zinc/58/03/52/944580352.db2.gz HZNOCGPFHYMKPC-UHFFFAOYSA-N 0 3 267.325 1.704 20 10 CDCDHN COC(=O)CC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236820249 944580384 /nfs/dbraw/zinc/58/03/84/944580384.db2.gz HZNOCGPFHYMKPC-UHFFFAOYSA-N 0 3 267.325 1.704 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001236826449 944585185 /nfs/dbraw/zinc/58/51/85/944585185.db2.gz JTZQWOQEKAMHSW-JKSUJKDBSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001236826449 944585190 /nfs/dbraw/zinc/58/51/90/944585190.db2.gz JTZQWOQEKAMHSW-JKSUJKDBSA-N 0 3 287.359 1.721 20 10 CDCDHN COc1nc(Cl)c(CNCCc2ccc(N)cc2)n1C ZINC001261370194 946080139 /nfs/dbraw/zinc/08/01/39/946080139.db2.gz BPEYPOVXUNZURF-UHFFFAOYSA-N 0 3 294.786 1.997 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249208423 949461818 /nfs/dbraw/zinc/46/18/18/949461818.db2.gz UDWFPVWMSWSLMF-BXUZGUMPSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249208423 949461830 /nfs/dbraw/zinc/46/18/30/949461830.db2.gz UDWFPVWMSWSLMF-BXUZGUMPSA-N 0 3 293.363 1.453 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CN2CCC1CC2 ZINC001339142812 962199673 /nfs/dbraw/zinc/19/96/73/962199673.db2.gz VAHFESCKZAXVLF-CXLRFSCWSA-N 0 3 288.347 1.321 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000092471030 342413127 /nfs/dbraw/zinc/41/31/27/342413127.db2.gz JKUTUIRFTPKTIE-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000092471030 342413128 /nfs/dbraw/zinc/41/31/28/342413128.db2.gz JKUTUIRFTPKTIE-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180190016 357251672 /nfs/dbraw/zinc/25/16/72/357251672.db2.gz IWSYANQPPFCVNO-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180190016 357251675 /nfs/dbraw/zinc/25/16/75/357251675.db2.gz IWSYANQPPFCVNO-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1CO ZINC000191186616 358118407 /nfs/dbraw/zinc/11/84/07/358118407.db2.gz FHELQBJHGGELLY-GXSJLCMTSA-N 0 3 265.309 1.324 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1CO ZINC000191186616 358118408 /nfs/dbraw/zinc/11/84/08/358118408.db2.gz FHELQBJHGGELLY-GXSJLCMTSA-N 0 3 265.309 1.324 20 10 CDCDHN Cc1cccc(C[NH2+]CCN2CCSCC2)c1[O-] ZINC000225927718 359633393 /nfs/dbraw/zinc/63/33/93/359633393.db2.gz BUOOEYFCVIUNQU-UHFFFAOYSA-N 0 3 266.410 1.839 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281748550 363837575 /nfs/dbraw/zinc/83/75/75/363837575.db2.gz HPKQOBNTSISLGW-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC[C@H](C)OC)cc1OC ZINC000271895507 365003889 /nfs/dbraw/zinc/00/38/89/365003889.db2.gz UAFPCPPVZYFXQX-JTQLQIEISA-N 0 3 269.341 1.924 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272584320 365306223 /nfs/dbraw/zinc/30/62/23/365306223.db2.gz YQWHEKXWSYLHRK-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272584320 365306229 /nfs/dbraw/zinc/30/62/29/365306229.db2.gz YQWHEKXWSYLHRK-MNOVXSKESA-N 0 3 251.326 1.604 20 10 CDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000281201354 367604649 /nfs/dbraw/zinc/60/46/49/367604649.db2.gz SABPLGNYZOWUDR-RYUDHWBXSA-N 0 3 253.342 1.667 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000281521632 367651259 /nfs/dbraw/zinc/65/12/59/367651259.db2.gz HSYNYGMXYILUEQ-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000294200591 378618143 /nfs/dbraw/zinc/61/81/43/378618143.db2.gz XUUOELCLNWBMIC-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000294200591 378618146 /nfs/dbraw/zinc/61/81/46/378618146.db2.gz XUUOELCLNWBMIC-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000186178319 262083480 /nfs/dbraw/zinc/08/34/80/262083480.db2.gz ZHKCYZROLNUMLE-RISCZKNCSA-N 0 3 251.326 1.503 20 10 CDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000106426901 390544572 /nfs/dbraw/zinc/54/45/72/390544572.db2.gz ZQKQUVIYJKLYOT-HNNXBMFYSA-N 0 3 277.412 1.955 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCSC1)CC2 ZINC000297744365 285396784 /nfs/dbraw/zinc/39/67/84/285396784.db2.gz OCYMIBHSDSEVEN-FZMZJTMJSA-N 0 3 265.378 1.837 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193687598 391344151 /nfs/dbraw/zinc/34/41/51/391344151.db2.gz SARGMFAFNGRNSK-HZMBPMFUSA-N 0 3 278.352 1.405 20 10 CDCDHN C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296409288 392441528 /nfs/dbraw/zinc/44/15/28/392441528.db2.gz KUESNOZDRRGGON-BHOZQUNFSA-N 0 3 253.367 1.736 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527770288 392990520 /nfs/dbraw/zinc/99/05/20/392990520.db2.gz TZUDDXWQCZGNIO-QGZVFWFLSA-N 0 3 285.343 1.848 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368349949 267165321 /nfs/dbraw/zinc/16/53/21/267165321.db2.gz UUPORDKPGJCEMH-WDNDVIMCSA-N 0 3 263.337 1.461 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368349949 267165324 /nfs/dbraw/zinc/16/53/24/267165324.db2.gz UUPORDKPGJCEMH-WDNDVIMCSA-N 0 3 263.337 1.461 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000371326970 267390510 /nfs/dbraw/zinc/39/05/10/267390510.db2.gz LABQXJVSKQDJTL-DOTOQJQBSA-N 0 3 290.407 1.732 20 10 CDCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN1CCOCC1 ZINC000297540423 279351028 /nfs/dbraw/zinc/35/10/28/279351028.db2.gz FBCUDQCWBSYTNT-UKRRQHHQSA-N 0 3 290.407 1.937 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220188 329339859 /nfs/dbraw/zinc/33/98/59/329339859.db2.gz AKXVYDLARPKCRD-SNVBAGLBSA-N 0 3 250.342 1.863 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000224813389 333226152 /nfs/dbraw/zinc/22/61/52/333226152.db2.gz XAXPVUAOTXXJLS-UHFFFAOYSA-N 0 3 267.325 1.032 20 10 CDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C ZINC000134493406 334092182 /nfs/dbraw/zinc/09/21/82/334092182.db2.gz NROSYMYITLSBJJ-SECBINFHSA-N 0 3 294.351 1.514 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCC(=O)NC(C)C)c1 ZINC000135754311 334138079 /nfs/dbraw/zinc/13/80/79/334138079.db2.gz MTWQJKZXGUJNJQ-UHFFFAOYSA-N 0 3 266.341 1.405 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1OC ZINC000274992699 520370529 /nfs/dbraw/zinc/37/05/29/520370529.db2.gz ZFZFKYCWQINEGY-UXIGCNINSA-N 0 3 281.352 1.683 20 10 CDCDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1F ZINC000265804615 520911451 /nfs/dbraw/zinc/91/14/51/520911451.db2.gz UKSJICNJPVKWDL-ZDUSSCGKSA-N 0 3 293.386 1.992 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2CC(=O)N(C)C2)c1 ZINC000263789236 521154930 /nfs/dbraw/zinc/15/49/30/521154930.db2.gz XKDKFQKNSAIRPD-NSHDSACASA-N 0 3 264.325 1.111 20 10 CDCDHN CC[C@H](COC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000079735208 522259695 /nfs/dbraw/zinc/25/96/95/522259695.db2.gz GPQODUBJGBLGHC-SNVBAGLBSA-N 0 3 253.298 1.636 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068801425 522856109 /nfs/dbraw/zinc/85/61/09/522856109.db2.gz SEICTMSSDSEJQC-UKRRQHHQSA-N 0 3 277.412 1.679 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000195007500 524528621 /nfs/dbraw/zinc/52/86/21/524528621.db2.gz VAZFAXBPTPCLLY-PELKAZGASA-N 0 3 252.289 1.146 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278366639 524748621 /nfs/dbraw/zinc/74/86/21/524748621.db2.gz KFHSHOXFAJXDDS-UHFFFAOYSA-N 0 3 292.379 1.355 20 10 CDCDHN COc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1 ZINC000279954969 524749083 /nfs/dbraw/zinc/74/90/83/524749083.db2.gz ZVZHMVQCKAKAEJ-UHFFFAOYSA-N 0 3 285.365 1.068 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2CCCCNC2=O)c1 ZINC000036976485 524754093 /nfs/dbraw/zinc/75/40/93/524754093.db2.gz HVXQPLMVJGRNOU-GFCCVEGCSA-N 0 3 264.325 1.159 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000280875750 525924921 /nfs/dbraw/zinc/92/49/21/525924921.db2.gz NZQJQXFOUNTIOY-MELADBBJSA-N 0 3 279.380 1.996 20 10 CDCDHN CCOc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000770395732 575445632 /nfs/dbraw/zinc/44/56/32/575445632.db2.gz UKXPYMDENSAIFY-STQMWFEESA-N 0 3 262.353 1.442 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(NC(C)=O)CC2)c([O-])c1 ZINC000769193402 576336888 /nfs/dbraw/zinc/33/68/88/576336888.db2.gz ZPCDAFQTKZYSLB-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000761223917 576561116 /nfs/dbraw/zinc/56/11/16/576561116.db2.gz VCNKQELSMTUBLD-UKRRQHHQSA-N 0 3 281.352 1.684 20 10 CDCDHN C[NH+](C)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000748323371 576905619 /nfs/dbraw/zinc/90/56/19/576905619.db2.gz JEMWOBFKTNIRDM-UHFFFAOYSA-N 0 3 268.382 1.868 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000756608261 576997272 /nfs/dbraw/zinc/99/72/72/576997272.db2.gz AATSQFSKTIZDRU-ABAIWWIYSA-N 0 3 275.352 1.818 20 10 CDCDHN Oc1ccccc1C[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823731669 606216569 /nfs/dbraw/zinc/21/65/69/606216569.db2.gz BGSYBPKLMHNLMC-UHFFFAOYSA-N 0 3 287.348 1.924 20 10 CDCDHN CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253416 617391626 /nfs/dbraw/zinc/39/16/26/617391626.db2.gz SJDQLENLNUZNGU-AWEZNQCLSA-N 0 3 278.400 1.627 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(F)CC2)N(C)C)cc1 ZINC000891246035 617391123 /nfs/dbraw/zinc/39/11/23/617391123.db2.gz LNBGMYXAMDPTSO-CQSZACIVSA-N 0 3 293.386 1.974 20 10 CDCDHN COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000894213177 618729258 /nfs/dbraw/zinc/72/92/58/618729258.db2.gz LYRYNJUNQRHXTB-MWLCHTKSSA-N 0 3 271.263 1.536 20 10 CDCDHN COc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1OC ZINC000895582626 619745700 /nfs/dbraw/zinc/74/57/00/619745700.db2.gz WDMQNYWDQHBVPD-UHFFFAOYSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1OC ZINC000895582626 619745701 /nfs/dbraw/zinc/74/57/01/619745701.db2.gz WDMQNYWDQHBVPD-UHFFFAOYSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893773 619863763 /nfs/dbraw/zinc/86/37/63/619863763.db2.gz IZPWJIFTIOHBET-SNVBAGLBSA-N 0 3 286.322 1.830 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCO[C@H]1CCOC1)CC2 ZINC000927082687 621691214 /nfs/dbraw/zinc/69/12/14/621691214.db2.gz HIVRVQIRHPKLMH-STQMWFEESA-N 0 3 263.337 1.775 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCF)N(C)C)cc1 ZINC000899101534 622045454 /nfs/dbraw/zinc/04/54/54/622045454.db2.gz IVYUIFDKQPJKKI-AWEZNQCLSA-N 0 3 296.390 1.624 20 10 CDCDHN C[NH2+][C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843344683 697852999 /nfs/dbraw/zinc/85/29/99/697852999.db2.gz QMQSJFPSRDMQCA-GFCCVEGCSA-N 0 3 266.316 1.528 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834697985 697876381 /nfs/dbraw/zinc/87/63/81/697876381.db2.gz SNWLPWCCYAABQT-JHJVBQTASA-N 0 3 274.364 1.884 20 10 CDCDHN COc1cccc(O)c1CN(C)[C@H](C)CN1CCOCC1 ZINC000789764193 697887950 /nfs/dbraw/zinc/88/79/50/697887950.db2.gz UKEWMDVUQFPGNZ-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000789764193 697887951 /nfs/dbraw/zinc/88/79/51/697887951.db2.gz UKEWMDVUQFPGNZ-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000789764193 697887952 /nfs/dbraw/zinc/88/79/52/697887952.db2.gz UKEWMDVUQFPGNZ-CYBMUJFWSA-N 0 3 294.395 1.553 20 10 CDCDHN [O-]c1ccc(F)cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229924 697933965 /nfs/dbraw/zinc/93/39/65/697933965.db2.gz IYHONMDRUUPOFN-KBPBESRZSA-N 0 3 250.317 1.906 20 10 CDCDHN COCCC[N@H+](CCO)Cc1c([O-])cccc1OC ZINC000783730945 698066786 /nfs/dbraw/zinc/06/67/86/698066786.db2.gz XFQUJNAXSQBHKK-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1c([O-])cccc1OC ZINC000783730945 698066792 /nfs/dbraw/zinc/06/67/92/698066792.db2.gz XFQUJNAXSQBHKK-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CO[C@]1(C[NH2+]Cc2c(C)cccc2[O-])CCOC1 ZINC000877371516 698284931 /nfs/dbraw/zinc/28/49/31/698284931.db2.gz IYLGMQILJGKWKS-AWEZNQCLSA-N 0 3 251.326 1.596 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876728588 698315689 /nfs/dbraw/zinc/31/56/89/698315689.db2.gz QHFJESZQUBVKJP-CYBMUJFWSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876728588 698315691 /nfs/dbraw/zinc/31/56/91/698315691.db2.gz QHFJESZQUBVKJP-CYBMUJFWSA-N 0 3 262.353 1.659 20 10 CDCDHN COc1cccc(O)c1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379092 698323993 /nfs/dbraw/zinc/32/39/93/698323993.db2.gz MIJYLTFGDVQMPW-MGCOHNPYSA-N 0 3 285.365 1.066 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379092 698323994 /nfs/dbraw/zinc/32/39/94/698323994.db2.gz MIJYLTFGDVQMPW-MGCOHNPYSA-N 0 3 285.365 1.066 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120305 698326631 /nfs/dbraw/zinc/32/66/31/698326631.db2.gz DPLQFWMNQNDDEC-AWEZNQCLSA-N 0 3 250.317 1.717 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775137038 698393448 /nfs/dbraw/zinc/39/34/48/698393448.db2.gz QOYDMRARHJJPFB-AAEUAGOBSA-N 0 3 265.353 1.830 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c([O-])c1 ZINC000876593930 698656588 /nfs/dbraw/zinc/65/65/88/698656588.db2.gz NGCSYFUEXNPSGS-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1[O-] ZINC000817982538 698821424 /nfs/dbraw/zinc/82/14/24/698821424.db2.gz DZMQYRSDBGJOEE-AAEUAGOBSA-N 0 3 250.342 1.421 20 10 CDCDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000776811612 698842392 /nfs/dbraw/zinc/84/23/92/698842392.db2.gz BGDXFKKIPGENAK-HIFRSBDPSA-N 0 3 281.352 1.302 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000877100216 698852543 /nfs/dbraw/zinc/85/25/43/698852543.db2.gz QSVPCJHKSQZWOC-WFASDCNBSA-N 0 3 264.369 1.509 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC2CC2)c1 ZINC000135727166 698853826 /nfs/dbraw/zinc/85/38/26/698853826.db2.gz LLBYJTYLUMPRMZ-UWVGGRQHSA-N 0 3 278.352 1.719 20 10 CDCDHN CC[C@@H](NCc1c(O)cccc1OC)C(=O)NC ZINC000825316141 698899075 /nfs/dbraw/zinc/89/90/75/698899075.db2.gz KRDUNJQIXNQLMC-SNVBAGLBSA-N 0 3 252.314 1.015 20 10 CDCDHN COc1cccc(O)c1CN(C)C[C@H]1COCCO1 ZINC000827140555 704869097 /nfs/dbraw/zinc/86/90/97/704869097.db2.gz LHQGSBQBIYBFOH-NSHDSACASA-N 0 3 267.325 1.248 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1[O-] ZINC000717355554 704998963 /nfs/dbraw/zinc/99/89/63/704998963.db2.gz VJEZKOXBXKKGOW-DGCLKSJQSA-N 0 3 252.358 1.355 20 10 CDCDHN C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000700793094 848280902 /nfs/dbraw/zinc/28/09/02/848280902.db2.gz PIVZUXBWIRRQLW-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000700793094 848280908 /nfs/dbraw/zinc/28/09/08/848280908.db2.gz PIVZUXBWIRRQLW-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](C)C1(CO)CC1 ZINC000850361655 848466869 /nfs/dbraw/zinc/46/68/69/848466869.db2.gz UPCCCSJQEWYJTK-SNVBAGLBSA-N 0 3 251.326 1.651 20 10 CDCDHN CCN1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000846097605 848487913 /nfs/dbraw/zinc/48/79/13/848487913.db2.gz SRTUJJQIOGCOBG-JTQLQIEISA-N 0 3 266.316 1.489 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389309772 848506902 /nfs/dbraw/zinc/50/69/02/848506902.db2.gz QWZDXYIJGRJEKQ-CYBMUJFWSA-N 0 3 264.369 1.547 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000702652495 848549158 /nfs/dbraw/zinc/54/91/58/848549158.db2.gz LISNYEKQHCAJRX-YGRLFVJLSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)C2(N)CC2)c1 ZINC000843490040 848635593 /nfs/dbraw/zinc/63/55/93/848635593.db2.gz WAEUWMGGDXKMQS-QMMMGPOBSA-N 0 3 250.298 1.069 20 10 CDCDHN CNC(=O)CN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876928117 848678886 /nfs/dbraw/zinc/67/88/86/848678886.db2.gz ULAIKVYQFIXYAA-UHFFFAOYSA-N 0 3 291.395 1.001 20 10 CDCDHN O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000848351916 848742383 /nfs/dbraw/zinc/74/23/83/848742383.db2.gz HOGUABJKHXNAPI-OLZOCXBDSA-N 0 3 290.363 1.845 20 10 CDCDHN O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000848351916 848742389 /nfs/dbraw/zinc/74/23/89/848742389.db2.gz HOGUABJKHXNAPI-OLZOCXBDSA-N 0 3 290.363 1.845 20 10 CDCDHN Cc1nc([C@@H](C)NCc2cc3c(cc2O)OCO3)n[nH]1 ZINC000392441836 849245987 /nfs/dbraw/zinc/24/59/87/849245987.db2.gz DTFKFYMIEWGXJF-SSDOTTSWSA-N 0 3 276.296 1.398 20 10 CDCDHN CCOc1cccc(CNCC(=O)N(CC)CC)c1O ZINC000134492878 849423704 /nfs/dbraw/zinc/42/37/04/849423704.db2.gz LZPCODBQZXRVJG-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCc1cnn(C)n1 ZINC000877551163 849559330 /nfs/dbraw/zinc/55/93/30/849559330.db2.gz TXPUEBTYQMOCMM-UHFFFAOYSA-N 0 3 260.341 1.552 20 10 CDCDHN CC[C@H](N)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980838 849579621 /nfs/dbraw/zinc/57/96/21/849579621.db2.gz XJJFXCJPBDAUGP-KOLCDFICSA-N 0 3 266.341 1.567 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCNc1cnccn1 ZINC000877086377 850140059 /nfs/dbraw/zinc/14/00/59/850140059.db2.gz XIHYDSIRRDLJPY-UHFFFAOYSA-N 0 3 258.325 1.692 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1[O-] ZINC000817982539 850435920 /nfs/dbraw/zinc/43/59/20/850435920.db2.gz DZMQYRSDBGJOEE-DGCLKSJQSA-N 0 3 250.342 1.421 20 10 CDCDHN Cc1cc(CN2CC[C@@H](F)[C@@H](O)C2)ccc1N(C)C ZINC001139669571 936319775 /nfs/dbraw/zinc/31/97/75/936319775.db2.gz BEDUQKCRELTIOH-HIFRSBDPSA-N 0 3 266.360 1.966 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775130606 920584054 /nfs/dbraw/zinc/58/40/54/920584054.db2.gz MQBKHMUXZRLLCG-STQMWFEESA-N 0 3 283.368 1.457 20 10 CDCDHN C[C@@]1(O)COCCN(Cc2cc(F)ccc2O)C1 ZINC001140058066 936675239 /nfs/dbraw/zinc/67/52/39/936675239.db2.gz RPWLOBLAXMPUFO-ZDUSSCGKSA-N 0 3 255.289 1.115 20 10 CDCDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660450 936736550 /nfs/dbraw/zinc/73/65/50/936736550.db2.gz RXQNJDQWRURXNB-IUODEOHRSA-N 0 3 294.370 1.617 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@H](F)[C@@H](O)C2)c1O ZINC001140742470 936748414 /nfs/dbraw/zinc/74/84/14/936748414.db2.gz PLEICSYOAADDQH-JQWIXIFHSA-N 0 3 255.289 1.311 20 10 CDCDHN COC(=O)CCN(C)Cc1c(O)cc(OC)cc1OC ZINC001141030706 936794762 /nfs/dbraw/zinc/79/47/62/936794762.db2.gz HMSWFCQDMFAGOP-UHFFFAOYSA-N 0 3 283.324 1.404 20 10 CDCDHN COC(=O)CC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141030706 936794763 /nfs/dbraw/zinc/79/47/63/936794763.db2.gz HMSWFCQDMFAGOP-UHFFFAOYSA-N 0 3 283.324 1.404 20 10 CDCDHN COC(=O)CC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141030706 936794764 /nfs/dbraw/zinc/79/47/64/936794764.db2.gz HMSWFCQDMFAGOP-UHFFFAOYSA-N 0 3 283.324 1.404 20 10 CDCDHN CO[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139831 936818407 /nfs/dbraw/zinc/81/84/07/936818407.db2.gz CUGJMIKVIIYQRM-ZDUSSCGKSA-N 0 3 262.353 1.736 20 10 CDCDHN CN1CCOc2cc(CN3CCC[C@H](O)C3)ccc21 ZINC001141139063 936818618 /nfs/dbraw/zinc/81/86/18/936818618.db2.gz HPLRQMFRPVYLDM-ZDUSSCGKSA-N 0 3 262.353 1.472 20 10 CDCDHN CO[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139830 936819051 /nfs/dbraw/zinc/81/90/51/936819051.db2.gz CUGJMIKVIIYQRM-CYBMUJFWSA-N 0 3 262.353 1.736 20 10 CDCDHN Cc1cc(C)c(CNC(=O)CN(C)C(C)C)c(O)c1 ZINC001142590905 937037085 /nfs/dbraw/zinc/03/70/85/937037085.db2.gz UTWIIVZRFSXDGU-UHFFFAOYSA-N 0 3 264.369 1.965 20 10 CDCDHN Oc1cc(O)c(CN2CCc3ncccc3C2)c(O)c1 ZINC001144508983 931874260 /nfs/dbraw/zinc/87/42/60/931874260.db2.gz GHLLHWNGRFMXFP-UHFFFAOYSA-N 0 3 272.304 1.757 20 10 CDCDHN CC[NH+]1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC000126339457 932209958 /nfs/dbraw/zinc/20/99/58/932209958.db2.gz UDNZYTWWEOPCKV-UHFFFAOYSA-N 0 3 278.352 1.654 20 10 CDCDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1CC1CC1 ZINC001203551723 939692661 /nfs/dbraw/zinc/69/26/61/939692661.db2.gz LNYPWOFLEYAZPV-GJZGRUSLSA-N 0 3 286.375 1.692 20 10 CDCDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1CC1CC1 ZINC001203551723 939692662 /nfs/dbraw/zinc/69/26/62/939692662.db2.gz LNYPWOFLEYAZPV-GJZGRUSLSA-N 0 3 286.375 1.692 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001203621003 939697121 /nfs/dbraw/zinc/69/71/21/939697121.db2.gz MYPAGMQTSLQAHH-STQMWFEESA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001203621003 939697123 /nfs/dbraw/zinc/69/71/23/939697123.db2.gz MYPAGMQTSLQAHH-STQMWFEESA-N 0 3 269.316 1.696 20 10 CDCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203635001 939698712 /nfs/dbraw/zinc/69/87/12/939698712.db2.gz FSMZFQARFJMVJI-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203635001 939698713 /nfs/dbraw/zinc/69/87/13/939698713.db2.gz FSMZFQARFJMVJI-LLVKDONJSA-N 0 3 279.336 1.786 20 10 CDCDHN N[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@H]1F ZINC001204837131 939797086 /nfs/dbraw/zinc/79/70/86/939797086.db2.gz SKBUTXWHGOOGQM-BDAKNGLRSA-N 0 3 294.248 1.772 20 10 CDCDHN CC1([NH3+])CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001204985916 939811867 /nfs/dbraw/zinc/81/18/67/939811867.db2.gz NCTVNFQWKIWIIP-UHFFFAOYSA-N 0 3 260.259 1.944 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205636134 939910762 /nfs/dbraw/zinc/91/07/62/939910762.db2.gz CNFOLDORPONQJZ-WCQYABFASA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205636134 939910766 /nfs/dbraw/zinc/91/07/66/939910766.db2.gz CNFOLDORPONQJZ-WCQYABFASA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206011417 939967321 /nfs/dbraw/zinc/96/73/21/939967321.db2.gz CDVSGSKMFHFLGI-DGCLKSJQSA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206011417 939967322 /nfs/dbraw/zinc/96/73/22/939967322.db2.gz CDVSGSKMFHFLGI-DGCLKSJQSA-N 0 3 292.379 1.897 20 10 CDCDHN COc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(O)cc1O ZINC001231633235 942950114 /nfs/dbraw/zinc/95/01/14/942950114.db2.gz LKCDKIBOFDBHOH-PHIMTYICSA-N 0 3 277.320 1.802 20 10 CDCDHN CC(C)(O)[C@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233017644 943466220 /nfs/dbraw/zinc/46/62/20/943466220.db2.gz YCCZVQZZPDRGFA-GFCCVEGCSA-N 0 3 267.325 1.539 20 10 CDCDHN CC(=O)N1CCC[C@@H](N(C)Cc2cc(O)c(O)cc2O)C1 ZINC001233487227 943595602 /nfs/dbraw/zinc/59/56/02/943595602.db2.gz VPYJOSGBOPFBMM-GFCCVEGCSA-N 0 3 294.351 1.246 20 10 CDCDHN OCC1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760616 943652239 /nfs/dbraw/zinc/65/22/39/943652239.db2.gz JBVZEFSAWDDNCB-UHFFFAOYSA-N 0 3 277.242 1.715 20 10 CDCDHN COc1ccc2ccc([O-])c(CN3C[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001236292240 944451152 /nfs/dbraw/zinc/45/11/52/944451152.db2.gz MYNZHEAPIZGRGZ-MLGOLLRUSA-N 0 3 284.359 1.958 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001236807195 944573923 /nfs/dbraw/zinc/57/39/23/944573923.db2.gz DPOPIUTWJWMZHF-NSHDSACASA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001236807195 944573928 /nfs/dbraw/zinc/57/39/28/944573928.db2.gz DPOPIUTWJWMZHF-NSHDSACASA-N 0 3 251.326 1.666 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236817123 944578527 /nfs/dbraw/zinc/57/85/27/944578527.db2.gz DAWCKBOGBQIAIZ-UHFFFAOYSA-N 0 3 292.379 1.667 20 10 CDCDHN COCCN(C)Cc1cc(OC)cc(OC)c1O ZINC001237675037 944920558 /nfs/dbraw/zinc/92/05/58/944920558.db2.gz QZKNDTGAZWGQFM-UHFFFAOYSA-N 0 3 255.314 1.488 20 10 CDCDHN [NH3+]CCS(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F ZINC001237699846 944932274 /nfs/dbraw/zinc/93/22/74/944932274.db2.gz UQDVBOGLBXRBJN-UHFFFAOYSA-N 0 3 284.259 1.111 20 10 CDCDHN Cc1ccc(C)c(CN2CC[C@@H]3C[C@@]32C(N)=O)c1O ZINC001278354977 946924441 /nfs/dbraw/zinc/92/44/41/946924441.db2.gz RLNKKPFSOOMBQD-ABAIWWIYSA-N 0 3 260.337 1.459 20 10 CDCDHN C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001256324331 948272873 /nfs/dbraw/zinc/27/28/73/948272873.db2.gz RJFWAFYESHDONJ-OLZOCXBDSA-N 0 3 292.379 1.680 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001249177851 949441010 /nfs/dbraw/zinc/44/10/10/949441010.db2.gz KJVSBGSUIZANOU-HNNXBMFYSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001249177851 949441017 /nfs/dbraw/zinc/44/10/17/949441017.db2.gz KJVSBGSUIZANOU-HNNXBMFYSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001249177643 949442013 /nfs/dbraw/zinc/44/20/13/949442013.db2.gz HHYALDQZUYVPGB-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001249177643 949442026 /nfs/dbraw/zinc/44/20/26/949442026.db2.gz HHYALDQZUYVPGB-CQSZACIVSA-N 0 3 293.363 1.455 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001251238728 950672233 /nfs/dbraw/zinc/67/22/33/950672233.db2.gz AWUQMCXMMMGIOM-CQSZACIVSA-N 0 3 289.331 1.627 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC(C)(C)C ZINC001253692086 952040784 /nfs/dbraw/zinc/04/07/84/952040784.db2.gz VHGHOQWBUNZYNA-CYBMUJFWSA-N 0 3 281.352 1.527 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC(C)(C)C ZINC001253692086 952040775 /nfs/dbraw/zinc/04/07/75/952040775.db2.gz VHGHOQWBUNZYNA-CYBMUJFWSA-N 0 3 281.352 1.527 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001339876777 962598621 /nfs/dbraw/zinc/59/86/21/962598621.db2.gz YRBWOUMFNSWQMU-XJKSGUPXSA-N 0 3 287.407 1.901 20 10 CDCDHN CCOc1cccc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000112017379 365853782 /nfs/dbraw/zinc/85/37/82/365853782.db2.gz AWEZQSZEHMZENT-UHFFFAOYSA-N 0 3 275.352 1.857 20 10 CDCDHN CN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180603869 357277579 /nfs/dbraw/zinc/27/75/79/357277579.db2.gz PZYMKQPHJKGDAR-HWKANZROSA-N 0 3 276.336 1.321 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)CC2(O)CCOCC2)c1 ZINC000188831386 357942333 /nfs/dbraw/zinc/94/23/33/357942333.db2.gz ONDAJPRHWGKFND-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000188831386 357942336 /nfs/dbraw/zinc/94/23/36/357942336.db2.gz ONDAJPRHWGKFND-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H](C)CCCO)cc1OC ZINC000294673140 199128823 /nfs/dbraw/zinc/12/88/23/199128823.db2.gz BANKEVMDARHYSO-LLVKDONJSA-N 0 3 283.368 1.908 20 10 CDCDHN C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000191571859 358139634 /nfs/dbraw/zinc/13/96/34/358139634.db2.gz AEFLCYMATBVCSW-CYBMUJFWSA-N 0 3 264.369 1.545 20 10 CDCDHN C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000191571859 358139636 /nfs/dbraw/zinc/13/96/36/358139636.db2.gz AEFLCYMATBVCSW-CYBMUJFWSA-N 0 3 264.369 1.545 20 10 CDCDHN CCOc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000019899959 358213850 /nfs/dbraw/zinc/21/38/50/358213850.db2.gz WSWOPARICKAGQD-NSHDSACASA-N 0 3 285.365 1.068 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000091986615 358534535 /nfs/dbraw/zinc/53/45/35/358534535.db2.gz DOMKLDNAZRUVPZ-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000091986615 358534540 /nfs/dbraw/zinc/53/45/40/358534540.db2.gz DOMKLDNAZRUVPZ-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179894910 365001123 /nfs/dbraw/zinc/00/11/23/365001123.db2.gz HAZXBPBRBLBXFQ-UHFFFAOYSA-N 0 3 266.316 1.489 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1C ZINC000273710897 365518288 /nfs/dbraw/zinc/51/82/88/365518288.db2.gz KOZKTRKWHUJMKM-NSHDSACASA-N 0 3 291.351 1.211 20 10 CDCDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273689852 365518813 /nfs/dbraw/zinc/51/88/13/365518813.db2.gz BFHNILCTSUDXHF-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273689852 365518821 /nfs/dbraw/zinc/51/88/21/365518821.db2.gz BFHNILCTSUDXHF-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273689852 365518829 /nfs/dbraw/zinc/51/88/29/365518829.db2.gz BFHNILCTSUDXHF-AWEZNQCLSA-N 0 3 289.379 1.737 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000163297882 377531075 /nfs/dbraw/zinc/53/10/75/377531075.db2.gz YCCPZARVMXMIJQ-QWRGUYRKSA-N 0 3 251.326 1.915 20 10 CDCDHN COCCN(CCO)Cc1cc(C)c(C)cc1O ZINC000093005763 390898928 /nfs/dbraw/zinc/89/89/28/390898928.db2.gz DZOVHHKQYXSEDJ-UHFFFAOYSA-N 0 3 253.342 1.450 20 10 CDCDHN COCC[N@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000093005763 390898929 /nfs/dbraw/zinc/89/89/29/390898929.db2.gz DZOVHHKQYXSEDJ-UHFFFAOYSA-N 0 3 253.342 1.450 20 10 CDCDHN COCC[N@@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000093005763 390898930 /nfs/dbraw/zinc/89/89/30/390898930.db2.gz DZOVHHKQYXSEDJ-UHFFFAOYSA-N 0 3 253.342 1.450 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCSC1)CC2 ZINC000297744373 285396835 /nfs/dbraw/zinc/39/68/35/285396835.db2.gz OCYMIBHSDSEVEN-SMDDNHRTSA-N 0 3 265.378 1.837 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000182513793 391236591 /nfs/dbraw/zinc/23/65/91/391236591.db2.gz MQWJGIGGQHHRJY-SNVBAGLBSA-N 0 3 252.314 1.054 20 10 CDCDHN Nc1ccc(CC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000375957540 391208487 /nfs/dbraw/zinc/20/84/87/391208487.db2.gz LUMJARIYMBKUEM-QGZVFWFLSA-N 0 3 295.386 1.815 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccccc1[O-] ZINC000530227801 328718236 /nfs/dbraw/zinc/71/82/36/328718236.db2.gz VWEMXEUIVAHANG-WCQYABFASA-N 0 3 250.342 1.421 20 10 CDCDHN O=C1NCCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000037363243 173152280 /nfs/dbraw/zinc/15/22/80/173152280.db2.gz VMLJXUCBCVIKFZ-CYBMUJFWSA-N 0 3 260.337 1.380 20 10 CDCDHN CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1[O-] ZINC000038047108 174057363 /nfs/dbraw/zinc/05/73/63/174057363.db2.gz FWLPMGPAPIFRDQ-GFCCVEGCSA-N 0 3 271.382 1.868 20 10 CDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166462416 261389540 /nfs/dbraw/zinc/38/95/40/261389540.db2.gz UPOAUVRIHDGFCE-GFCCVEGCSA-N 0 3 299.415 1.588 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638638 262063509 /nfs/dbraw/zinc/06/35/09/262063509.db2.gz KOMBBFOKVMFHOA-IINYFYTJSA-N 0 3 283.393 1.919 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000186178727 262083524 /nfs/dbraw/zinc/08/35/24/262083524.db2.gz WKWJYJPCVAVJCC-ZANVPECISA-N 0 3 255.289 1.333 20 10 CDCDHN CN1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC000370082140 267288992 /nfs/dbraw/zinc/28/89/92/267288992.db2.gz LSXVXPJVVYAQFO-UHFFFAOYSA-N 0 3 292.354 1.976 20 10 CDCDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000280898840 327595028 /nfs/dbraw/zinc/59/50/28/327595028.db2.gz FQKOHELTOZXLAD-JTQLQIEISA-N 0 3 269.366 1.620 20 10 CDCDHN COc1ccc(CN2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000228356626 1161399435 /nfs/dbraw/zinc/39/94/35/1161399435.db2.gz XUVYCXFYCHLEQT-GFCCVEGCSA-N 0 3 264.325 1.111 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000228356626 1161399437 /nfs/dbraw/zinc/39/94/37/1161399437.db2.gz XUVYCXFYCHLEQT-GFCCVEGCSA-N 0 3 264.325 1.111 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000228356626 1161399440 /nfs/dbraw/zinc/39/94/40/1161399440.db2.gz XUVYCXFYCHLEQT-GFCCVEGCSA-N 0 3 264.325 1.111 20 10 CDCDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000279851724 519553505 /nfs/dbraw/zinc/55/35/05/519553505.db2.gz RWDQKTVOARTJFZ-CYBMUJFWSA-N 0 3 262.353 1.740 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280315870 521150634 /nfs/dbraw/zinc/15/06/34/521150634.db2.gz OVFQZDCUUMITDZ-OCCSQVGLSA-N 0 3 295.379 1.526 20 10 CDCDHN CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1[O-] ZINC000274878211 522628653 /nfs/dbraw/zinc/62/86/53/522628653.db2.gz HANRRHPEPQRAKC-ZFWWWQNUSA-N 0 3 275.352 1.900 20 10 CDCDHN COC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000272612782 522933122 /nfs/dbraw/zinc/93/31/22/522933122.db2.gz KQPFUDIDIVSZEU-UHFFFAOYSA-N 0 3 297.326 1.733 20 10 CDCDHN COc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000364972799 524747341 /nfs/dbraw/zinc/74/73/41/524747341.db2.gz LMVKYLSWDGQPGL-PSOPSSQASA-N 0 3 290.363 1.487 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000281010302 524752865 /nfs/dbraw/zinc/75/28/65/524752865.db2.gz YMEILJIZRUDXHW-DGCLKSJQSA-N 0 3 281.352 1.135 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000725846572 574443970 /nfs/dbraw/zinc/44/39/70/574443970.db2.gz IBTBFPSGAXQIIT-ZDUSSCGKSA-N 0 3 267.325 1.296 20 10 CDCDHN CN(CC1CC[NH+](C)CC1)C(=O)c1cc([O-])cs1 ZINC000732287365 575087202 /nfs/dbraw/zinc/08/72/02/575087202.db2.gz VOYJXHRQQFLIIU-UHFFFAOYSA-N 0 3 268.382 1.868 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000769541640 575358658 /nfs/dbraw/zinc/35/86/58/575358658.db2.gz FBEQQDXINLGANC-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000769541640 575358660 /nfs/dbraw/zinc/35/86/60/575358660.db2.gz FBEQQDXINLGANC-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(CN2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000768336311 576272220 /nfs/dbraw/zinc/27/22/20/576272220.db2.gz ACZZCOHBYBBITO-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN CCOc1ccc(C[N@H+](C)CCC(=O)NC)c([O-])c1 ZINC000769317048 576345160 /nfs/dbraw/zinc/34/51/60/576345160.db2.gz PPYSYRLVFHSTKY-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)CCC(=O)NC)c([O-])c1 ZINC000769317048 576345161 /nfs/dbraw/zinc/34/51/61/576345161.db2.gz PPYSYRLVFHSTKY-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@H](C)CN2CCOCC2)cc1C ZINC000742367487 576597925 /nfs/dbraw/zinc/59/79/25/576597925.db2.gz WWXKRSQZTJAZLS-CQSZACIVSA-N 0 3 278.396 1.819 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(C)(CO)CC1 ZINC000762790837 576672852 /nfs/dbraw/zinc/67/28/52/576672852.db2.gz JLSTWITZOIPXEX-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CN(C)CCO1 ZINC000756758610 577003308 /nfs/dbraw/zinc/00/33/08/577003308.db2.gz INGXQHLLDKCYRM-RWSFTLGLSA-N 0 3 282.359 1.901 20 10 CDCDHN COc1ccc(CN2CCN(C(C)C)CC2)c(O)c1OC ZINC000891572925 617484274 /nfs/dbraw/zinc/48/42/74/617484274.db2.gz IGBODSGCODOYES-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN CNC(=O)[C@@H]1CCCN1Cc1cc(C)cc(OC)c1O ZINC000893966610 618227242 /nfs/dbraw/zinc/22/72/42/618227242.db2.gz QVKPKBXYVOQSKI-LBPRGKRZSA-N 0 3 278.352 1.420 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057110 618691298 /nfs/dbraw/zinc/69/12/98/618691298.db2.gz BEYFKKPAIHRKSQ-UWVGGRQHSA-N 0 3 295.339 1.478 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)c([O-])c1 ZINC000897891739 621196641 /nfs/dbraw/zinc/19/66/41/621196641.db2.gz NZLHHUPXUVBPME-UKRRQHHQSA-N 0 3 281.352 1.684 20 10 CDCDHN COC(=O)C1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000159236207 1178238116 /nfs/dbraw/zinc/23/81/16/1178238116.db2.gz QHWBGTIPIQOMAC-UHFFFAOYSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)C1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC000159236207 1178238121 /nfs/dbraw/zinc/23/81/21/1178238121.db2.gz QHWBGTIPIQOMAC-UHFFFAOYSA-N 0 3 279.336 1.786 20 10 CDCDHN Oc1cccc(CNC[C@@H](O)C(F)(F)F)c1O ZINC000236551031 1178323164 /nfs/dbraw/zinc/32/31/64/1178323164.db2.gz XEXMXSXSJSMLFH-MRVPVSSYSA-N 0 3 251.204 1.111 20 10 CDCDHN C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074940 710682601 /nfs/dbraw/zinc/68/26/01/710682601.db2.gz ODLXTGBPYOOFBQ-BXUZGUMPSA-N 0 3 261.369 1.634 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000877614654 705337042 /nfs/dbraw/zinc/33/70/42/705337042.db2.gz KTCFGKCLXBQCQY-HNNXBMFYSA-N 0 3 265.353 1.722 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccon2)c1 ZINC000775372642 705339661 /nfs/dbraw/zinc/33/96/61/705339661.db2.gz DYVDVLMHTYPDRH-SECBINFHSA-N 0 3 291.307 1.678 20 10 CDCDHN Nc1ccc(CC(=O)N2CCN3CCC2CC3)cc1 ZINC000722782741 705438667 /nfs/dbraw/zinc/43/86/67/705438667.db2.gz HBARGVUWEWXFPH-UHFFFAOYSA-N 0 3 259.353 1.118 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@@H](N)CC3CC3)ccc21 ZINC000884205067 705493982 /nfs/dbraw/zinc/49/39/82/705493982.db2.gz LKYPMGQABXEVIK-HNNXBMFYSA-N 0 3 287.407 1.813 20 10 CDCDHN CCN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000722356436 705526660 /nfs/dbraw/zinc/52/66/60/705526660.db2.gz PPGMXVSZTYNZIS-CHWSQXEVSA-N 0 3 274.364 1.980 20 10 CDCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NCCF)c1O ZINC000846168311 705671283 /nfs/dbraw/zinc/67/12/83/705671283.db2.gz RYIVIIWDWSDJKM-UWVGGRQHSA-N 0 3 284.331 1.526 20 10 CDCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000824708928 705834165 /nfs/dbraw/zinc/83/41/65/705834165.db2.gz LJIZBGPVLVVOQP-IINYFYTJSA-N 0 3 269.316 1.672 20 10 CDCDHN COc1cc(Br)cc(C[N@H+](C)CCO)c1[O-] ZINC000127910990 705880240 /nfs/dbraw/zinc/88/02/40/705880240.db2.gz SEWWUIFUVVEKEV-UHFFFAOYSA-N 0 3 290.157 1.587 20 10 CDCDHN COc1cc(Br)cc(C[N@@H+](C)CCO)c1[O-] ZINC000127910990 705880245 /nfs/dbraw/zinc/88/02/45/705880245.db2.gz SEWWUIFUVVEKEV-UHFFFAOYSA-N 0 3 290.157 1.587 20 10 CDCDHN CCN(C)c1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1 ZINC000815108529 705890008 /nfs/dbraw/zinc/89/00/08/705890008.db2.gz YXZQBGLJRWGSMQ-DOMZBBRYSA-N 0 3 275.396 1.757 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)c([O-])c1 ZINC000877092864 706062030 /nfs/dbraw/zinc/06/20/30/706062030.db2.gz MEYLTAZDDVSXIK-GXTWGEPZSA-N 0 3 265.353 1.984 20 10 CDCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794649466 706143868 /nfs/dbraw/zinc/14/38/68/706143868.db2.gz LHUMMPAFXKWLFS-ZBFHGGJFSA-N 0 3 293.363 1.819 20 10 CDCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794649466 706143880 /nfs/dbraw/zinc/14/38/80/706143880.db2.gz LHUMMPAFXKWLFS-ZBFHGGJFSA-N 0 3 293.363 1.819 20 10 CDCDHN COC1(CO)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000775204858 709804531 /nfs/dbraw/zinc/80/45/31/709804531.db2.gz RZWHJMJOXRNARD-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1[O-] ZINC000843362685 709825773 /nfs/dbraw/zinc/82/57/73/709825773.db2.gz NPFXUSHNUFQARO-MWLCHTKSSA-N 0 3 280.343 1.903 20 10 CDCDHN CCN(CC)CC(=O)NCc1cc(OC)ccc1O ZINC000114541508 709874043 /nfs/dbraw/zinc/87/40/43/709874043.db2.gz WASKBKOSFNXWQE-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CC[C@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000816660978 710003899 /nfs/dbraw/zinc/00/38/99/710003899.db2.gz XCMRSJXAPRPESB-LBPRGKRZSA-N 0 3 278.352 1.647 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CC(F)F ZINC000883104097 710288350 /nfs/dbraw/zinc/28/83/50/710288350.db2.gz OZMNZHQOPLIMLI-QMMMGPOBSA-N 0 3 261.268 1.507 20 10 CDCDHN C[C@@H](NCC(=O)Nc1nncs1)c1ccccc1O ZINC000879648304 710578351 /nfs/dbraw/zinc/57/83/51/710578351.db2.gz JHBRFPZNWZQFDB-MRVPVSSYSA-N 0 3 278.337 1.533 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1ccccc1[O-] ZINC000879648304 710578358 /nfs/dbraw/zinc/57/83/58/710578358.db2.gz JHBRFPZNWZQFDB-MRVPVSSYSA-N 0 3 278.337 1.533 20 10 CDCDHN Cc1[nH]cnc1CC(=O)NCCc1ccc(N)cc1 ZINC000876527415 710727315 /nfs/dbraw/zinc/72/73/15/710727315.db2.gz DJXCSVDRKXGVOX-UHFFFAOYSA-N 0 3 258.325 1.202 20 10 CDCDHN C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccccc1[O-] ZINC000886667939 711675231 /nfs/dbraw/zinc/67/52/31/711675231.db2.gz KXZMAUIBFZZNQN-RWMBFGLXSA-N 0 3 265.353 1.973 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000385316830 711689319 /nfs/dbraw/zinc/68/93/19/711689319.db2.gz GPVVXLUGEHPUCD-GWCFXTLKSA-N 0 3 251.326 1.915 20 10 CDCDHN COc1cccc(CNCc2n[nH]c(CSC)n2)c1O ZINC000886327531 711733255 /nfs/dbraw/zinc/73/32/55/711733255.db2.gz LVMXFXYKYYRSGN-UHFFFAOYSA-N 0 3 294.380 1.672 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)C)c1 ZINC000228936253 711786748 /nfs/dbraw/zinc/78/67/48/711786748.db2.gz AKXOMYJLNRHRDV-JTQLQIEISA-N 0 3 266.341 1.404 20 10 CDCDHN C[C@H](CNCc1ccc(N2CC=CC2)cc1)S(C)(=O)=O ZINC000819096812 711817713 /nfs/dbraw/zinc/81/77/13/711817713.db2.gz VDENWXLXHMZSOZ-CYBMUJFWSA-N 0 3 294.420 1.586 20 10 CDCDHN CS(=O)(=O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310759320 711819688 /nfs/dbraw/zinc/81/96/88/711819688.db2.gz AOCZLJDDOAWTMI-NSHDSACASA-N 0 3 269.366 1.404 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000877088229 711824618 /nfs/dbraw/zinc/82/46/18/711824618.db2.gz DHOGUKDYUIPSMZ-PIGZYNQJSA-N 0 3 255.383 1.947 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1(CO)CCSCC1 ZINC000839177615 711834300 /nfs/dbraw/zinc/83/43/00/711834300.db2.gz NOHINHBKRQLZLN-UHFFFAOYSA-N 0 3 253.367 1.740 20 10 CDCDHN CN1CCN(CC[N@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527516 908867739 /nfs/dbraw/zinc/86/77/39/908867739.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 0 3 299.365 1.350 20 10 CDCDHN CN1CCN(CC[N@@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527516 908867761 /nfs/dbraw/zinc/86/77/61/908867761.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 0 3 299.365 1.350 20 10 CDCDHN CCN(CC)c1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001140850224 936764508 /nfs/dbraw/zinc/76/45/08/936764508.db2.gz HBXMBQYFDUJHPT-OAHLLOKOSA-N 0 3 294.395 1.432 20 10 CDCDHN Cc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001140947770 936782558 /nfs/dbraw/zinc/78/25/58/936782558.db2.gz FIMHXPPJVPTCPH-CYBMUJFWSA-N 0 3 267.369 1.654 20 10 CDCDHN Cc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001140947770 936782559 /nfs/dbraw/zinc/78/25/59/936782559.db2.gz FIMHXPPJVPTCPH-CYBMUJFWSA-N 0 3 267.369 1.654 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001140950560 936783392 /nfs/dbraw/zinc/78/33/92/936783392.db2.gz YRFGOEZKOOKKIT-FOLVSLTJSA-N 0 3 288.391 1.903 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001140950560 936783393 /nfs/dbraw/zinc/78/33/93/936783393.db2.gz YRFGOEZKOOKKIT-FOLVSLTJSA-N 0 3 288.391 1.903 20 10 CDCDHN COc1cc(O)c(CN2CC(N3CCCC3)C2)c(OC)c1 ZINC001141028337 936794263 /nfs/dbraw/zinc/79/42/63/936794263.db2.gz LAFKYWKSSNCVET-UHFFFAOYSA-N 0 3 292.379 1.689 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858601078 928895649 /nfs/dbraw/zinc/89/56/49/928895649.db2.gz BJFPSVWJTNVURJ-MDZLAQPJSA-N 0 3 294.370 1.736 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001206672932 938757944 /nfs/dbraw/zinc/75/79/44/938757944.db2.gz UHOSTENLMAWKRQ-UHFFFAOYSA-N 0 3 278.352 1.373 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001206672932 938757947 /nfs/dbraw/zinc/75/79/47/938757947.db2.gz UHOSTENLMAWKRQ-UHFFFAOYSA-N 0 3 278.352 1.373 20 10 CDCDHN O=C1NCC[C@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203551887 939692745 /nfs/dbraw/zinc/69/27/45/939692745.db2.gz RQXCKTOSBOASJY-HNNXBMFYSA-N 0 3 260.337 1.494 20 10 CDCDHN O=C1NCC[C@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203551887 939692746 /nfs/dbraw/zinc/69/27/46/939692746.db2.gz RQXCKTOSBOASJY-HNNXBMFYSA-N 0 3 260.337 1.494 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001203621933 939697139 /nfs/dbraw/zinc/69/71/39/939697139.db2.gz LAFAMPRFZHOCSE-HNNXBMFYSA-N 0 3 276.336 1.113 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001203621933 939697140 /nfs/dbraw/zinc/69/71/40/939697140.db2.gz LAFAMPRFZHOCSE-HNNXBMFYSA-N 0 3 276.336 1.113 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203634938 939698931 /nfs/dbraw/zinc/69/89/31/939698931.db2.gz BWBPHRTYLKQBLM-ZDUSSCGKSA-N 0 3 295.335 1.165 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203634938 939698932 /nfs/dbraw/zinc/69/89/32/939698932.db2.gz BWBPHRTYLKQBLM-ZDUSSCGKSA-N 0 3 295.335 1.165 20 10 CDCDHN CC(=O)N1CC[C@H](N(Cc2ccc(O)c(O)c2)C(C)C)C1 ZINC001203878717 939710905 /nfs/dbraw/zinc/71/09/05/939710905.db2.gz AWXBDTHCGAAGDH-AWEZNQCLSA-N 0 3 292.379 1.929 20 10 CDCDHN OCC[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882785 939711358 /nfs/dbraw/zinc/71/13/58/939711358.db2.gz VLMUZHPVICUJAD-LLVKDONJSA-N 0 3 251.326 1.692 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001204278083 939750976 /nfs/dbraw/zinc/75/09/76/939750976.db2.gz SMCAOEGDEBMCLJ-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001204278083 939750981 /nfs/dbraw/zinc/75/09/81/939750981.db2.gz SMCAOEGDEBMCLJ-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN CCOC(=O)CC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278258 939751286 /nfs/dbraw/zinc/75/12/86/939751286.db2.gz BWOXXGHAKVZJEB-UHFFFAOYSA-N 0 3 253.298 1.483 20 10 CDCDHN CCOC(=O)CC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278258 939751287 /nfs/dbraw/zinc/75/12/87/939751287.db2.gz BWOXXGHAKVZJEB-UHFFFAOYSA-N 0 3 253.298 1.483 20 10 CDCDHN OC[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001204326377 939756443 /nfs/dbraw/zinc/75/64/43/939756443.db2.gz XQHCLLDHIAEJFK-NVXWUHKLSA-N 0 3 290.407 1.462 20 10 CDCDHN [NH3+][C@H](CC(=O)Nc1ccc(CO)cc1)c1ccccc1[O-] ZINC001219052710 941303571 /nfs/dbraw/zinc/30/35/71/941303571.db2.gz NNSCRCAHIGZHKY-CQSZACIVSA-N 0 3 286.331 1.913 20 10 CDCDHN NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192793 942156372 /nfs/dbraw/zinc/15/63/72/942156372.db2.gz TYPOYCGOSVRWSR-GFCCVEGCSA-N 0 3 276.336 1.185 20 10 CDCDHN COC(=O)C[C@H]1CCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231639773 942957276 /nfs/dbraw/zinc/95/72/76/942957276.db2.gz JQLSRNMTJKYJHV-SNVBAGLBSA-N 0 3 295.335 1.491 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@H]1C ZINC001231849467 943028793 /nfs/dbraw/zinc/02/87/93/943028793.db2.gz ULLHHWMXPFDZNE-RISCZKNCSA-N 0 3 264.369 1.716 20 10 CDCDHN CCN1CCN(Cc2cc(O)c(O)c(O)c2)C[C@H]1C ZINC001233017914 943465810 /nfs/dbraw/zinc/46/58/10/943465810.db2.gz LKWHMKCJUNXKDE-SNVBAGLBSA-N 0 3 266.341 1.329 20 10 CDCDHN CN(Cc1cc(O)c(O)cc1O)[C@H]1CCCOC1 ZINC001233487708 943595361 /nfs/dbraw/zinc/59/53/61/943595361.db2.gz PCZYZZXXKDSIBU-JTQLQIEISA-N 0 3 253.298 1.414 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053807 944027021 /nfs/dbraw/zinc/02/70/21/944027021.db2.gz LDPNXFFLXOVRMQ-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN CN(CCO)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236255232 944439240 /nfs/dbraw/zinc/43/92/40/944439240.db2.gz AZEOGIKVTVBGSW-UHFFFAOYSA-N 0 3 281.375 1.002 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001236816899 944578722 /nfs/dbraw/zinc/57/87/22/944578722.db2.gz YDRCEUBLKXOPOE-FZMZJTMJSA-N 0 3 293.363 1.950 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@@H]1C ZINC001236816899 944578725 /nfs/dbraw/zinc/57/87/25/944578725.db2.gz YDRCEUBLKXOPOE-FZMZJTMJSA-N 0 3 293.363 1.950 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001237492498 944814820 /nfs/dbraw/zinc/81/48/20/944814820.db2.gz RRBJHOAWOXCQCT-UHFFFAOYSA-N 0 3 275.352 1.348 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1[O-] ZINC001237681729 944922716 /nfs/dbraw/zinc/92/27/16/944922716.db2.gz PYWUZLXBVQRGDR-ZYHUDNBSSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1[O-] ZINC001237681729 944922721 /nfs/dbraw/zinc/92/27/21/944922721.db2.gz PYWUZLXBVQRGDR-ZYHUDNBSSA-N 0 3 271.744 1.139 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001238059486 945045725 /nfs/dbraw/zinc/04/57/25/945045725.db2.gz DDEHUTMCDORLHA-GWCFXTLKSA-N 0 3 269.316 1.015 20 10 CDCDHN O=C1C[C@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])C[C@H]2C1 ZINC001254929884 947659042 /nfs/dbraw/zinc/65/90/42/947659042.db2.gz ZYNHDODUAYGXDH-GDNZZTSVSA-N 0 3 261.321 1.945 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC001249173037 949443818 /nfs/dbraw/zinc/44/38/18/949443818.db2.gz QCFPARGXUIPMSS-UHFFFAOYSA-N 0 3 279.336 1.330 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC001249173037 949443833 /nfs/dbraw/zinc/44/38/33/949443833.db2.gz QCFPARGXUIPMSS-UHFFFAOYSA-N 0 3 279.336 1.330 20 10 CDCDHN COC[C@H]1CC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249217112 949462010 /nfs/dbraw/zinc/46/20/10/949462010.db2.gz MWMKJEUOWXAEBH-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN COC[C@H]1CC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249217112 949462019 /nfs/dbraw/zinc/46/20/19/949462019.db2.gz MWMKJEUOWXAEBH-CYBMUJFWSA-N 0 3 279.336 1.328 20 10 CDCDHN CCOC[C@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252028776 951068103 /nfs/dbraw/zinc/06/81/03/951068103.db2.gz JNICYRKMGBDVPC-CYBMUJFWSA-N 0 3 281.352 1.243 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC2=NOCC2)c1 ZINC001307629393 956424775 /nfs/dbraw/zinc/42/47/75/956424775.db2.gz RFJKZCPFWRYKQE-SECBINFHSA-N 0 3 250.298 1.828 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1c(O)ccc2ccccc21 ZINC001573974405 1170848064 /nfs/dbraw/zinc/84/80/64/1170848064.db2.gz GLVQXNOMSANLMQ-AWEZNQCLSA-N 0 3 288.347 1.525 20 10 CDCDHN COc1cccc(C[NH2+]CC[C@H](C)CCO)c1[O-] ZINC000295112554 199350609 /nfs/dbraw/zinc/35/06/09/199350609.db2.gz LWWFDCSEXPUOLU-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN COc1ccc(CNCCC(=O)N(C)C)cc1C ZINC000037752054 356924920 /nfs/dbraw/zinc/92/49/20/356924920.db2.gz AOAWRYFZSAQKCD-UHFFFAOYSA-N 0 3 250.342 1.572 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1OC ZINC000187985164 357830967 /nfs/dbraw/zinc/83/09/67/357830967.db2.gz PWOBOMTUGHFZMW-ZYHUDNBSSA-N 0 3 281.352 1.660 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000294685973 199134797 /nfs/dbraw/zinc/13/47/97/199134797.db2.gz BLINLXFFJNFWEI-LLVKDONJSA-N 0 3 253.342 1.899 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCN2CCC(O)CC2)c1 ZINC000294924800 199252434 /nfs/dbraw/zinc/25/24/34/199252434.db2.gz UCPISCAHJVNKPH-UHFFFAOYSA-N 0 3 294.395 1.337 20 10 CDCDHN CC(C)C[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880390 358983519 /nfs/dbraw/zinc/98/35/19/358983519.db2.gz QBOROEOTEKLUMR-NSHDSACASA-N 0 3 267.325 1.618 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296897372 200028945 /nfs/dbraw/zinc/02/89/45/200028945.db2.gz OSPIYKLEHFFAKG-VXGBXAGGSA-N 0 3 251.326 1.367 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)CC2 ZINC000297193897 200111028 /nfs/dbraw/zinc/11/10/28/200111028.db2.gz FOZHBGDDIRMHIB-CABCVRRESA-N 0 3 290.407 1.816 20 10 CDCDHN COCCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123008854 360250784 /nfs/dbraw/zinc/25/07/84/360250784.db2.gz CRAAWSXGBYEREF-UHFFFAOYSA-N 0 3 284.787 1.810 20 10 CDCDHN C[N@@H+]1CCCC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000365759119 360326361 /nfs/dbraw/zinc/32/63/61/360326361.db2.gz RHQZWTCEDOWPAH-UHFFFAOYSA-N 0 3 290.363 1.798 20 10 CDCDHN C[N@H+]1CCCC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000365759119 360326366 /nfs/dbraw/zinc/32/63/66/360326366.db2.gz RHQZWTCEDOWPAH-UHFFFAOYSA-N 0 3 290.363 1.798 20 10 CDCDHN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1[O-] ZINC000282421702 364097500 /nfs/dbraw/zinc/09/75/00/364097500.db2.gz SRTNNNUDQYIAOH-DYZYQPBXSA-N 0 3 253.367 1.954 20 10 CDCDHN CCC[N@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000170914729 365164616 /nfs/dbraw/zinc/16/46/16/365164616.db2.gz HALYHRAYBZTKEY-UHFFFAOYSA-N 0 3 286.397 1.283 20 10 CDCDHN CCC[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000170914729 365164620 /nfs/dbraw/zinc/16/46/20/365164620.db2.gz HALYHRAYBZTKEY-UHFFFAOYSA-N 0 3 286.397 1.283 20 10 CDCDHN C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000230991666 367538377 /nfs/dbraw/zinc/53/83/77/367538377.db2.gz FZVWDYQIIABODD-SECBINFHSA-N 0 3 290.360 1.073 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000281702440 367676024 /nfs/dbraw/zinc/67/60/24/367676024.db2.gz STTUCNDNAGZJOV-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)N2CCOCC2)c([O-])c1 ZINC000294860371 371099226 /nfs/dbraw/zinc/09/92/26/371099226.db2.gz SXZAQXSTXIMVOB-ZDUSSCGKSA-N 0 3 292.379 1.518 20 10 CDCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccco1 ZINC000295773878 371449420 /nfs/dbraw/zinc/44/94/20/371449420.db2.gz ALZUMPDJZGJWBB-LBPRGKRZSA-N 0 3 286.331 1.992 20 10 CDCDHN CN1CCCc2cc(CNC(=O)C3(N)CCC3)ccc21 ZINC000296166772 371639188 /nfs/dbraw/zinc/63/91/88/371639188.db2.gz WWJPKWUDXCEAEZ-UHFFFAOYSA-N 0 3 273.380 1.567 20 10 CDCDHN CNC(=O)[C@@H]1CCCCN1Cc1cc(C)ccc1O ZINC000133040338 390900810 /nfs/dbraw/zinc/90/08/10/390900810.db2.gz CZUCFRPIEHOUKP-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000179569372 391211346 /nfs/dbraw/zinc/21/13/46/391211346.db2.gz HSXXMFGHBBZUNV-HNNXBMFYSA-N 0 3 290.407 1.936 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000179569372 391211349 /nfs/dbraw/zinc/21/13/49/391211349.db2.gz HSXXMFGHBBZUNV-HNNXBMFYSA-N 0 3 290.407 1.936 20 10 CDCDHN C[C@@H](NC[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000179582134 391212628 /nfs/dbraw/zinc/21/26/28/391212628.db2.gz RWDISWPSBWUKKG-NWDGAFQWSA-N 0 3 282.359 1.694 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000183671741 391268278 /nfs/dbraw/zinc/26/82/78/391268278.db2.gz UWGWSHWAWWLUFN-CHWSQXEVSA-N 0 3 293.363 1.965 20 10 CDCDHN CCN1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000038097905 174112242 /nfs/dbraw/zinc/11/22/42/174112242.db2.gz AKBNIXGSCRIZML-UHFFFAOYSA-N 0 3 250.342 1.672 20 10 CDCDHN CC(C)C(=O)NCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000092104339 260492433 /nfs/dbraw/zinc/49/24/33/260492433.db2.gz ATZSTXOSAASMPJ-UHFFFAOYSA-N 0 3 294.351 1.325 20 10 CDCDHN C[C@H](NCCOCCO)c1ccc(N2CCOCC2)cc1 ZINC000159088863 261177523 /nfs/dbraw/zinc/17/75/23/261177523.db2.gz AUYNLSNMKPDZTE-AWEZNQCLSA-N 0 3 294.395 1.183 20 10 CDCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000276829274 263038281 /nfs/dbraw/zinc/03/82/81/263038281.db2.gz QVHMVBLNVFYXMG-CYBMUJFWSA-N 0 3 260.337 1.589 20 10 CDCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000276829274 263038282 /nfs/dbraw/zinc/03/82/82/263038282.db2.gz QVHMVBLNVFYXMG-CYBMUJFWSA-N 0 3 260.337 1.589 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000188486942 263959918 /nfs/dbraw/zinc/95/99/18/263959918.db2.gz JRGMZPUJSUUTPU-LBPRGKRZSA-N 0 3 263.385 1.709 20 10 CDCDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870739 328075228 /nfs/dbraw/zinc/07/52/28/328075228.db2.gz UIZHOOZHMLLITG-AAEUAGOBSA-N 0 3 261.369 1.634 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000224915647 329248502 /nfs/dbraw/zinc/24/85/02/329248502.db2.gz IXFJMEUNZNMXAS-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cccc(OC)c1[O-] ZINC000092380189 327193448 /nfs/dbraw/zinc/19/34/48/327193448.db2.gz OCJXCEZJXUMSFV-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cccc(OC)c1[O-] ZINC000092380189 327193449 /nfs/dbraw/zinc/19/34/49/327193449.db2.gz OCJXCEZJXUMSFV-UHFFFAOYSA-N 0 3 267.325 1.786 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([O-])c1O ZINC000177680709 329188980 /nfs/dbraw/zinc/18/89/80/329188980.db2.gz IRWAGSLBIOACEZ-GFCCVEGCSA-N 0 3 290.363 1.717 20 10 CDCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000188496713 329369467 /nfs/dbraw/zinc/36/94/67/329369467.db2.gz MAGZVHDHXFJZHC-MNOVXSKESA-N 0 3 250.342 1.910 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530222891 333528968 /nfs/dbraw/zinc/52/89/68/333528968.db2.gz IFRSVMLDUNUISP-JQWIXIFHSA-N 0 3 284.787 1.993 20 10 CDCDHN COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000234867178 522303211 /nfs/dbraw/zinc/30/32/11/522303211.db2.gz JZWSCKHUYUQJOK-SNVBAGLBSA-N 0 3 275.732 1.151 20 10 CDCDHN CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])OC ZINC000290808194 522547388 /nfs/dbraw/zinc/54/73/88/522547388.db2.gz FWEYGCVNFCXEDA-NSHDSACASA-N 0 3 269.341 1.924 20 10 CDCDHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000790667420 1162165126 /nfs/dbraw/zinc/16/51/26/1162165126.db2.gz AEPYKXNHMNKAQI-NSHDSACASA-N 0 3 276.336 1.312 20 10 CDCDHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000790667420 1162165129 /nfs/dbraw/zinc/16/51/29/1162165129.db2.gz AEPYKXNHMNKAQI-NSHDSACASA-N 0 3 276.336 1.312 20 10 CDCDHN CC(C)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000274962688 519809861 /nfs/dbraw/zinc/80/98/61/519809861.db2.gz UGOBLHYRKMKWMA-IAQYHMDHSA-N 0 3 294.395 1.731 20 10 CDCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC)cc1 ZINC000291905914 520289365 /nfs/dbraw/zinc/28/93/65/520289365.db2.gz MEDRMNDPBLLFCC-RYUDHWBXSA-N 0 3 263.385 1.928 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000292514934 520368971 /nfs/dbraw/zinc/36/89/71/520368971.db2.gz DJWBMSMEDGLPNP-CABCVRRESA-N 0 3 295.379 1.811 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000263782992 520373994 /nfs/dbraw/zinc/37/39/94/520373994.db2.gz WBTBLCJQPTVPKK-LBPRGKRZSA-N 0 3 278.352 1.501 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](COC)OC)c1[O-] ZINC000227704997 521364156 /nfs/dbraw/zinc/36/41/56/521364156.db2.gz ARZLFAYLYZVTRG-LBPRGKRZSA-N 0 3 269.341 1.542 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280346587 521364470 /nfs/dbraw/zinc/36/44/70/521364470.db2.gz RXVZSJPUMVPPRC-KGLIPLIRSA-N 0 3 295.379 1.526 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000068800168 521364849 /nfs/dbraw/zinc/36/48/49/521364849.db2.gz FAGDUGHSUJFAEC-CQSZACIVSA-N 0 3 293.411 1.126 20 10 CDCDHN CCOc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193693967 521376592 /nfs/dbraw/zinc/37/65/92/521376592.db2.gz IVGFXLPJLQSBPU-GXFFZTMASA-N 0 3 278.352 1.405 20 10 CDCDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880273 522152429 /nfs/dbraw/zinc/15/24/29/522152429.db2.gz FHTSLVNVUFITAI-SNVBAGLBSA-N 0 3 294.351 1.515 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000234915329 522536711 /nfs/dbraw/zinc/53/67/11/522536711.db2.gz IYPWABMOQZDZKB-AWEZNQCLSA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000234915329 522536715 /nfs/dbraw/zinc/53/67/15/522536715.db2.gz IYPWABMOQZDZKB-AWEZNQCLSA-N 0 3 298.770 1.752 20 10 CDCDHN CC[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000126437591 523752849 /nfs/dbraw/zinc/75/28/49/523752849.db2.gz HRIAORDBGCWLQH-GFCCVEGCSA-N 0 3 250.342 1.691 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000290305193 524010094 /nfs/dbraw/zinc/01/00/94/524010094.db2.gz ZEMAVTXOHHCWRO-JKOKRWQUSA-N 0 3 251.326 1.765 20 10 CDCDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc(C)ccc1O ZINC000290305193 524010098 /nfs/dbraw/zinc/01/00/98/524010098.db2.gz ZEMAVTXOHHCWRO-JKOKRWQUSA-N 0 3 251.326 1.765 20 10 CDCDHN COCCOCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617987 524010426 /nfs/dbraw/zinc/01/04/26/524010426.db2.gz VMQNCSHZGYNASJ-JTQLQIEISA-N 0 3 257.305 1.845 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276754788 524743920 /nfs/dbraw/zinc/74/39/20/524743920.db2.gz FZWPHYMSYWGNTH-CYBMUJFWSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2CCCCNC2=O)c1 ZINC000036976487 524755877 /nfs/dbraw/zinc/75/58/77/524755877.db2.gz HVXQPLMVJGRNOU-LBPRGKRZSA-N 0 3 264.325 1.159 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC2CC2)c1 ZINC000036782390 524760651 /nfs/dbraw/zinc/76/06/51/524760651.db2.gz GZIDFNYUNKJBTN-SECBINFHSA-N 0 3 264.325 1.330 20 10 CDCDHN C[C@H](Cn1cncn1)NCc1ccc2c(c1)CCCN2C ZINC000727644639 574592804 /nfs/dbraw/zinc/59/28/04/574592804.db2.gz NXVRZCVRDDTTOZ-CYBMUJFWSA-N 0 3 285.395 1.839 20 10 CDCDHN C[N@H+](CCCN1CCCC1=O)Cc1ccccc1[O-] ZINC000731843552 575065648 /nfs/dbraw/zinc/06/56/48/575065648.db2.gz QESBSIWSXZGGPA-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN C[N@@H+](CCCN1CCCC1=O)Cc1ccccc1[O-] ZINC000731843552 575065649 /nfs/dbraw/zinc/06/56/49/575065649.db2.gz QESBSIWSXZGGPA-UHFFFAOYSA-N 0 3 262.353 1.837 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000769540296 575357962 /nfs/dbraw/zinc/35/79/62/575357962.db2.gz LBGCCIQQNDHGMM-VXGBXAGGSA-N 0 3 292.379 1.890 20 10 CDCDHN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1 ZINC000741754085 576571118 /nfs/dbraw/zinc/57/11/18/576571118.db2.gz IHLOAIAQAVVNFN-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCC[S@@](C)=O)cc1C ZINC000742372128 576598459 /nfs/dbraw/zinc/59/84/59/576598459.db2.gz RJYCPTIAWZKQSI-QGZVFWFLSA-N 0 3 255.383 1.867 20 10 CDCDHN CC(=O)OC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000753794576 576859470 /nfs/dbraw/zinc/85/94/70/576859470.db2.gz CFPQGDRMIIJASE-UHFFFAOYSA-N 0 3 293.319 1.648 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c([O-])c1C ZINC000756662268 576999177 /nfs/dbraw/zinc/99/91/77/576999177.db2.gz ZNHIRPAPSPTUMK-MWLCHTKSSA-N 0 3 250.342 1.924 20 10 CDCDHN COc1ccc(N2CCN(CCC[C@@H](C)O)CC2)cc1 ZINC000045619324 617593562 /nfs/dbraw/zinc/59/35/62/617593562.db2.gz UROFLIRSLJPVKP-CQSZACIVSA-N 0 3 278.396 1.978 20 10 CDCDHN Cc1ccc(CN(C)[C@H](C)C[S@@](C)=O)c(O)c1 ZINC000877326284 618605861 /nfs/dbraw/zinc/60/58/61/618605861.db2.gz VRAVKTMQJYERJF-PIGZYNQJSA-N 0 3 255.383 1.899 20 10 CDCDHN COc1ccc(N2CC[C@H](Nc3ccncc3CO)C2)cc1 ZINC000894487391 618914277 /nfs/dbraw/zinc/91/42/77/618914277.db2.gz SLKJNHJCJDMUCE-AWEZNQCLSA-N 0 3 299.374 1.695 20 10 CDCDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000896621479 620170458 /nfs/dbraw/zinc/17/04/58/620170458.db2.gz PXRIYVBDKVUIKO-AWEZNQCLSA-N 0 3 282.359 1.732 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000035134284 621312494 /nfs/dbraw/zinc/31/24/94/621312494.db2.gz YPXJDYKWGLHDIL-ZDUSSCGKSA-N 0 3 291.395 1.137 20 10 CDCDHN CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724284 622386620 /nfs/dbraw/zinc/38/66/20/622386620.db2.gz LXAFACTXANPEOQ-ZDUSSCGKSA-N 0 3 280.441 1.449 20 10 CDCDHN CCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902528919 624932262 /nfs/dbraw/zinc/93/22/62/624932262.db2.gz SUCJJDJVVATVMT-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN CCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902528919 624932266 /nfs/dbraw/zinc/93/22/66/624932266.db2.gz SUCJJDJVVATVMT-FZMZJTMJSA-N 0 3 279.336 1.429 20 10 CDCDHN Oc1cccc(CNC[C@H](O)C(F)(F)F)c1O ZINC000236516499 1178310940 /nfs/dbraw/zinc/31/09/40/1178310940.db2.gz XEXMXSXSJSMLFH-QMMMGPOBSA-N 0 3 251.204 1.111 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000707630455 711873091 /nfs/dbraw/zinc/87/30/91/711873091.db2.gz DKKHNYXRLDSZFD-DKTWLAJQSA-N 0 3 271.744 1.915 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)c([O-])c1 ZINC000877090653 711877715 /nfs/dbraw/zinc/87/77/15/711877715.db2.gz WXBLEQULVJAUOU-DIFFPNOSSA-N 0 3 255.383 1.947 20 10 CDCDHN CCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097782 711996515 /nfs/dbraw/zinc/99/65/15/711996515.db2.gz MEQGJZVMEAIPNF-OAHLLOKOSA-N 0 3 293.411 1.508 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877119152 712024153 /nfs/dbraw/zinc/02/41/53/712024153.db2.gz BSHVCVTZCQJGGI-AAEUAGOBSA-N 0 3 262.353 1.705 20 10 CDCDHN CCOc1ccc(C[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000825110336 712212151 /nfs/dbraw/zinc/21/21/51/712212151.db2.gz FBADAWIZMNYSQB-UHFFFAOYSA-N 0 3 294.395 1.337 20 10 CDCDHN CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000389661136 712228161 /nfs/dbraw/zinc/22/81/61/712228161.db2.gz BQUBXFXJCGPWLP-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000389661136 712228164 /nfs/dbraw/zinc/22/81/64/712228164.db2.gz BQUBXFXJCGPWLP-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000776521303 712267526 /nfs/dbraw/zinc/26/75/26/712267526.db2.gz VYRORVOUDGAVMI-HNNXBMFYSA-N 0 3 299.342 1.714 20 10 CDCDHN [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC000857226404 712538880 /nfs/dbraw/zinc/53/88/80/712538880.db2.gz NDFLKVSOGLFNAK-BXUZGUMPSA-N 0 3 250.317 1.845 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c([O-])c1 ZINC000840825327 712748621 /nfs/dbraw/zinc/74/86/21/712748621.db2.gz DWHHFRDGZMTSJF-NWDGAFQWSA-N 0 3 262.353 1.877 20 10 CDCDHN CC[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000130457088 914497859 /nfs/dbraw/zinc/49/78/59/914497859.db2.gz PBKFOQKUGUAKKM-OAHLLOKOSA-N 0 3 291.395 1.518 20 10 CDCDHN [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001235998698 914526152 /nfs/dbraw/zinc/52/61/52/914526152.db2.gz YZAIIOKUHAJEML-MFKMUULPSA-N 0 3 252.745 1.969 20 10 CDCDHN Cc1cc([O-])c(CN2CC(C)([NH3+])C2)cc1Br ZINC001204994033 905768932 /nfs/dbraw/zinc/76/89/32/905768932.db2.gz PODYXTNKDGUMSK-UHFFFAOYSA-N 0 3 285.185 1.996 20 10 CDCDHN COc1cccc(CNCc2cccc(C(N)=O)c2)c1O ZINC000036902866 909862182 /nfs/dbraw/zinc/86/21/82/909862182.db2.gz CGZHJMYIGVEMLY-UHFFFAOYSA-N 0 3 286.331 1.790 20 10 CDCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C1CC1 ZINC001172001138 911063337 /nfs/dbraw/zinc/06/33/37/911063337.db2.gz YAMCHJHIGPVJAM-LBPRGKRZSA-N 0 3 260.337 1.635 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180000 911436725 /nfs/dbraw/zinc/43/67/25/911436725.db2.gz QGDCHIXZUNPASO-UONOGXRCSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180000 911436734 /nfs/dbraw/zinc/43/67/34/911436734.db2.gz QGDCHIXZUNPASO-UONOGXRCSA-N 0 3 274.364 1.977 20 10 CDCDHN COCCN1CCN(Cc2c(O)cccc2F)CC1 ZINC001137833074 936417713 /nfs/dbraw/zinc/41/77/13/936417713.db2.gz RJPIAXMVYMGRBJ-UHFFFAOYSA-N 0 3 268.332 1.295 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203627535 919779999 /nfs/dbraw/zinc/77/99/99/919779999.db2.gz HTSWWUSBPCJJSR-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203627535 919780005 /nfs/dbraw/zinc/78/00/05/919780005.db2.gz HTSWWUSBPCJJSR-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN COc1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)c(O)c1 ZINC001203628498 919788366 /nfs/dbraw/zinc/78/83/66/919788366.db2.gz BMQMZSAGXHVQDX-HNNXBMFYSA-N 0 3 292.335 1.475 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000775131854 920578139 /nfs/dbraw/zinc/57/81/39/920578139.db2.gz XJKGOHFJMJTKDM-LLVKDONJSA-N 0 3 271.382 1.868 20 10 CDCDHN Cc1ccc(C)c(CN2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001140184107 936684769 /nfs/dbraw/zinc/68/47/69/936684769.db2.gz NDJZMUQSYWCOEJ-ZDUSSCGKSA-N 0 3 290.363 1.052 20 10 CDCDHN Cc1ccc(C)c(CN2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001140181228 936685059 /nfs/dbraw/zinc/68/50/59/936685059.db2.gz QSPTZJOYRBIZHQ-NUEKZKHPSA-N 0 3 291.391 1.981 20 10 CDCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)NC ZINC000840952463 936969103 /nfs/dbraw/zinc/96/91/03/936969103.db2.gz AETBVLIHTRCLES-CQSZACIVSA-N 0 3 263.385 1.675 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCCO[C@H](C[NH3+])C2)c1[O-] ZINC000842479431 937058789 /nfs/dbraw/zinc/05/87/89/937058789.db2.gz SCCMKWTYZNCVOX-CYBMUJFWSA-N 0 3 296.342 1.284 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048225 937107166 /nfs/dbraw/zinc/10/71/66/937107166.db2.gz CIURSHGWGOPEJN-SECBINFHSA-N 0 3 281.312 1.090 20 10 CDCDHN CCOc1ccc(CN(C)[C@H](C)C[S@@](C)=O)c(O)c1 ZINC000776522007 927541117 /nfs/dbraw/zinc/54/11/17/927541117.db2.gz YFCAVZXPEKNSOY-NSPYISDASA-N 0 3 285.409 1.990 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@H]2CCN(C)C2)cc1F ZINC000858127587 928807126 /nfs/dbraw/zinc/80/71/26/928807126.db2.gz JLIMWTPYADIKBT-NSHDSACASA-N 0 3 269.339 1.825 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1 ZINC000858281449 928829246 /nfs/dbraw/zinc/82/92/46/928829246.db2.gz JWUCHYHXNXNYFP-ZWNOBZJWSA-N 0 3 299.392 1.456 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000799348712 937386491 /nfs/dbraw/zinc/38/64/91/937386491.db2.gz LOUGFDZNAYJIRG-GOSISDBHSA-N 0 3 269.366 1.402 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCOC)cc1 ZINC000884194058 930475845 /nfs/dbraw/zinc/47/58/45/930475845.db2.gz YDTXIQBKLOBXFN-HNNXBMFYSA-N 0 3 293.411 1.513 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886229556 930831931 /nfs/dbraw/zinc/83/19/31/930831931.db2.gz ROCAYSMPNDEALI-STQMWFEESA-N 0 3 251.326 1.412 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1cc(OC)c(OC)cc1O ZINC000825196459 931496267 /nfs/dbraw/zinc/49/62/67/931496267.db2.gz HBJLNAWLDBCVTB-IAQYHMDHSA-N 0 3 297.351 1.303 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000090721815 934847891 /nfs/dbraw/zinc/84/78/91/934847891.db2.gz CXMFOMKAMQTACE-WCQYABFASA-N 0 3 264.369 1.973 20 10 CDCDHN CN(CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305730184 935201099 /nfs/dbraw/zinc/20/10/99/935201099.db2.gz LBTZJVPTMSMBJL-UHFFFAOYSA-N 0 3 268.332 1.086 20 10 CDCDHN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278255206 945214290 /nfs/dbraw/zinc/21/42/90/945214290.db2.gz OVWPVPMZXBRZPL-OBPYKSBLSA-N 0 3 278.327 1.521 20 10 CDCDHN CCC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203555552 939692558 /nfs/dbraw/zinc/69/25/58/939692558.db2.gz CVNHTOIAAMRFOD-UHFFFAOYSA-N 0 3 262.353 1.883 20 10 CDCDHN O=C1CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCN12 ZINC001203563376 939693084 /nfs/dbraw/zinc/69/30/84/939693084.db2.gz ZTYPUBSDPDXNSH-CYBMUJFWSA-N 0 3 260.337 1.589 20 10 CDCDHN O=C1CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCN12 ZINC001203563376 939693085 /nfs/dbraw/zinc/69/30/85/939693085.db2.gz ZTYPUBSDPDXNSH-CYBMUJFWSA-N 0 3 260.337 1.589 20 10 CDCDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561349 939693529 /nfs/dbraw/zinc/69/35/29/939693529.db2.gz RPKCVSNGJPQATP-LBPRGKRZSA-N 0 3 263.341 1.286 20 10 CDCDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561349 939693528 /nfs/dbraw/zinc/69/35/28/939693528.db2.gz RPKCVSNGJPQATP-LBPRGKRZSA-N 0 3 263.341 1.286 20 10 CDCDHN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(O)c(O)c1 ZINC001203874976 939710262 /nfs/dbraw/zinc/71/02/62/939710262.db2.gz GFZHPNDHSDWSTN-CMPLNLGQSA-N 0 3 251.326 1.691 20 10 CDCDHN COc1cc(CN(C)CC2(C)COC2)cc(O)c1O ZINC001204344836 939758445 /nfs/dbraw/zinc/75/84/45/939758445.db2.gz JJRQXOCUTNCFTG-UHFFFAOYSA-N 0 3 267.325 1.575 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)c([O-])c1 ZINC000405406998 940987180 /nfs/dbraw/zinc/98/71/80/940987180.db2.gz UQVDZMHLAGHDCY-GFCCVEGCSA-N 0 3 262.353 1.974 20 10 CDCDHN N[C@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1O ZINC001219923456 941396678 /nfs/dbraw/zinc/39/66/78/941396678.db2.gz NVIKJJYSZUABDS-CQSZACIVSA-N 0 3 286.331 1.284 20 10 CDCDHN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H](F)CCN2)c(O)c1 ZINC001220826059 941475610 /nfs/dbraw/zinc/47/56/10/941475610.db2.gz ZFGPDNRZNDBTEX-AAEUAGOBSA-N 0 3 280.343 1.715 20 10 CDCDHN CN(C)C(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277440598 942574185 /nfs/dbraw/zinc/57/41/85/942574185.db2.gz CNTTZVNGABGMBB-LBPRGKRZSA-N 0 3 260.337 1.302 20 10 CDCDHN COc1cc(CN2CCN(C3CCC3)CC2)c(O)cc1O ZINC001231634215 942949602 /nfs/dbraw/zinc/94/96/02/942949602.db2.gz JOMBZAZVYODCMK-UHFFFAOYSA-N 0 3 292.379 1.777 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236289786 944448356 /nfs/dbraw/zinc/44/83/56/944448356.db2.gz QLAVDYRDESPTAW-GXSJLCMTSA-N 0 3 283.169 1.558 20 10 CDCDHN COC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1[NH3+] ZINC001236362878 944484833 /nfs/dbraw/zinc/48/48/33/944484833.db2.gz ZMQVNMRMPLIMPZ-JQWIXIFHSA-N 0 3 298.770 1.286 20 10 CDCDHN CCc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001236783092 944566782 /nfs/dbraw/zinc/56/67/82/944566782.db2.gz IBFBTKFZALBRDQ-CQSZACIVSA-N 0 3 281.396 1.908 20 10 CDCDHN CCc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])c1 ZINC001236783092 944566786 /nfs/dbraw/zinc/56/67/86/944566786.db2.gz IBFBTKFZALBRDQ-CQSZACIVSA-N 0 3 281.396 1.908 20 10 CDCDHN Nc1ccc(CN2CCNC[C@H]2C(F)(F)F)cc1 ZINC001236980700 944631353 /nfs/dbraw/zinc/63/13/53/944631353.db2.gz KBQOVEZIOXATFW-NSHDSACASA-N 0 3 259.275 1.605 20 10 CDCDHN CCOc1ccc(CN2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC001237042015 944644281 /nfs/dbraw/zinc/64/42/81/944644281.db2.gz CMEJPADSNAKFDI-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001237485441 944809788 /nfs/dbraw/zinc/80/97/88/944809788.db2.gz PDQPXXMRJPPWQN-RYUDHWBXSA-N 0 3 253.317 1.853 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001237485437 944812135 /nfs/dbraw/zinc/81/21/35/944812135.db2.gz IOFCNZROSWWYJX-MRXNPFEDSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001237485437 944812140 /nfs/dbraw/zinc/81/21/40/944812140.db2.gz IOFCNZROSWWYJX-MRXNPFEDSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1[O-] ZINC001237681407 944922520 /nfs/dbraw/zinc/92/25/20/944922520.db2.gz PEONFTIKHJEVQA-UKRRQHHQSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c1[O-] ZINC001237681407 944922528 /nfs/dbraw/zinc/92/25/28/944922528.db2.gz PEONFTIKHJEVQA-UKRRQHHQSA-N 0 3 299.798 1.919 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001237684922 944926889 /nfs/dbraw/zinc/92/68/89/944926889.db2.gz COLXGDQTRKMTDM-GWCFXTLKSA-N 0 3 294.782 1.922 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001237684922 944926894 /nfs/dbraw/zinc/92/68/94/944926894.db2.gz COLXGDQTRKMTDM-GWCFXTLKSA-N 0 3 294.782 1.922 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238060427 945045012 /nfs/dbraw/zinc/04/50/12/945045012.db2.gz ICCKVDULXAUJSC-CZUORRHYSA-N 0 3 295.354 1.935 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238060427 945045025 /nfs/dbraw/zinc/04/50/25/945045025.db2.gz ICCKVDULXAUJSC-CZUORRHYSA-N 0 3 295.354 1.935 20 10 CDCDHN CC[C@@]1(C(=O)OC)C[C@@H](NCc2ccc(N)cc2)CN1 ZINC001246168020 948004094 /nfs/dbraw/zinc/00/40/94/948004094.db2.gz CKSDEZZVPVSEEI-HIFRSBDPSA-N 0 3 277.368 1.042 20 10 CDCDHN CCOC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC001256018507 948160123 /nfs/dbraw/zinc/16/01/23/948160123.db2.gz OFHAYBIBWQVAEK-LLVKDONJSA-N 0 3 280.324 1.418 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001249177825 949444255 /nfs/dbraw/zinc/44/42/55/949444255.db2.gz JOPUWYZHHULGSJ-UKRRQHHQSA-N 0 3 291.347 1.471 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001249177825 949444268 /nfs/dbraw/zinc/44/42/68/949444268.db2.gz JOPUWYZHHULGSJ-UKRRQHHQSA-N 0 3 291.347 1.471 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001249208425 949461284 /nfs/dbraw/zinc/46/12/84/949461284.db2.gz UDWFPVWMSWSLMF-FZMZJTMJSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001249208425 949461296 /nfs/dbraw/zinc/46/12/96/949461296.db2.gz UDWFPVWMSWSLMF-FZMZJTMJSA-N 0 3 293.363 1.453 20 10 CDCDHN CN(Cc1ccccc1O)C[C@@H]1CN(C)C(=O)O1 ZINC001327813288 955053675 /nfs/dbraw/zinc/05/36/75/955053675.db2.gz YSBOZSBRFZPXDT-LLVKDONJSA-N 0 3 250.298 1.275 20 10 CDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(O)c1O ZINC001352658348 967408719 /nfs/dbraw/zinc/40/87/19/967408719.db2.gz SVBXCHUSOXKTSA-QWRGUYRKSA-N 0 3 278.352 1.587 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000036795325 356884623 /nfs/dbraw/zinc/88/46/23/356884623.db2.gz MIRMYGNTVKUYMZ-GHMZBOCLSA-N 0 3 250.342 1.876 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180727845 357286718 /nfs/dbraw/zinc/28/67/18/357286718.db2.gz JJSYVBIJPXLJHB-ZDUSSCGKSA-N 0 3 257.305 1.408 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1[O-] ZINC000180175208 357249717 /nfs/dbraw/zinc/24/97/17/357249717.db2.gz QAHUOPCXORWUSE-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@H](OCCO)C2)c1[O-] ZINC000180175208 357249723 /nfs/dbraw/zinc/24/97/23/357249723.db2.gz QAHUOPCXORWUSE-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCN(C)CC1 ZINC000185364255 357536510 /nfs/dbraw/zinc/53/65/10/357536510.db2.gz MHWWTYPFBQYYNT-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1 ZINC000191181259 358118176 /nfs/dbraw/zinc/11/81/76/358118176.db2.gz IHPQFXDYBIKFGK-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1 ZINC000191181259 358118179 /nfs/dbraw/zinc/11/81/79/358118179.db2.gz IHPQFXDYBIKFGK-ZWNOBZJWSA-N 0 3 251.326 1.604 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000294911970 199243542 /nfs/dbraw/zinc/24/35/42/199243542.db2.gz WOAFGCRPZUIHNT-WFASDCNBSA-N 0 3 265.353 1.811 20 10 CDCDHN C[C@@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183359170 365433402 /nfs/dbraw/zinc/43/34/02/365433402.db2.gz QLSCANNIEAUUKI-CYBMUJFWSA-N 0 3 291.395 1.262 20 10 CDCDHN CC[C@H]([NH2+][C@H](CO)COC)c1ccc(C)cc1[O-] ZINC000281230435 367610161 /nfs/dbraw/zinc/61/01/61/367610161.db2.gz URNAZVVVFJGFGT-YPMHNXCESA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282829541 368058133 /nfs/dbraw/zinc/05/81/33/368058133.db2.gz ZFUJIODWZZBXGB-LLVKDONJSA-N 0 3 267.348 1.316 20 10 CDCDHN O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000296785679 296343827 /nfs/dbraw/zinc/34/38/27/296343827.db2.gz KWTUHXGNJCPQPS-DGCLKSJQSA-N 0 3 272.348 1.732 20 10 CDCDHN CCCN(CCNS(C)(=O)=O)Cc1ccccc1O ZINC000107300433 390571895 /nfs/dbraw/zinc/57/18/95/390571895.db2.gz MLLRQNCBRLLJJD-UHFFFAOYSA-N 0 3 286.397 1.153 20 10 CDCDHN COCCN(CCOC)Cc1cc(OC)ccc1O ZINC000133414735 390902897 /nfs/dbraw/zinc/90/28/97/390902897.db2.gz YEADORAXCHNHPT-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2ccco2)c1[O-] ZINC000174531476 391123755 /nfs/dbraw/zinc/12/37/55/391123755.db2.gz ZDKIMGCLDWOSME-OAHLLOKOSA-N 0 3 277.320 1.991 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179562252 391210472 /nfs/dbraw/zinc/21/04/72/391210472.db2.gz LPQUINVTVHRJFE-HNNXBMFYSA-N 0 3 276.380 1.689 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179562252 391210475 /nfs/dbraw/zinc/21/04/75/391210475.db2.gz LPQUINVTVHRJFE-HNNXBMFYSA-N 0 3 276.380 1.689 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674542 391343966 /nfs/dbraw/zinc/34/39/66/391343966.db2.gz LVPQLTGFFHQNIK-LKFCYVNXSA-N 0 3 262.353 1.623 20 10 CDCDHN Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674542 391343971 /nfs/dbraw/zinc/34/39/71/391343971.db2.gz LVPQLTGFFHQNIK-LKFCYVNXSA-N 0 3 262.353 1.623 20 10 CDCDHN COc1cc([O-])c(C[N@H+](CCO)C2CCC2)cc1OC ZINC000276082831 286239021 /nfs/dbraw/zinc/23/90/21/286239021.db2.gz UZSFRNOULWSEDT-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](CCO)C2CCC2)cc1OC ZINC000276082831 286239022 /nfs/dbraw/zinc/23/90/22/286239022.db2.gz UZSFRNOULWSEDT-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000186529430 262097114 /nfs/dbraw/zinc/09/71/14/262097114.db2.gz DHDQEXQBRYGHRH-ZYOFXKKJSA-N 0 3 281.352 1.826 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cccc(C)c1O ZINC000188490794 262157258 /nfs/dbraw/zinc/15/72/58/262157258.db2.gz HSNFBXVHNPOTGI-LLVKDONJSA-N 0 3 250.342 1.657 20 10 CDCDHN CCOc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000187831257 263269941 /nfs/dbraw/zinc/26/99/41/263269941.db2.gz PVGKBRIJOXPROF-WLRWDXFRSA-N 0 3 285.409 1.990 20 10 CDCDHN COc1cc(O)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1OC ZINC000367838993 267121027 /nfs/dbraw/zinc/12/10/27/267121027.db2.gz IWWMTKLNKYQZFZ-GDNZZTSVSA-N 0 3 279.336 1.080 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000272900313 328201266 /nfs/dbraw/zinc/20/12/66/328201266.db2.gz UYLMZRSTROEWSA-NHYWBVRUSA-N 0 3 265.353 1.830 20 10 CDCDHN Cc1cccc(C[NH2+]CCSCCCO)c1[O-] ZINC000224792598 329246348 /nfs/dbraw/zinc/24/63/48/329246348.db2.gz SHRXMUWGTIEJJO-UHFFFAOYSA-N 0 3 255.383 1.906 20 10 CDCDHN CCCNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617115 519880201 /nfs/dbraw/zinc/88/02/01/519880201.db2.gz KUQHDSIDGYZWQH-VIFPVBQESA-N 0 3 254.305 1.708 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H]2CCN(CCOC)C2)c1[O-] ZINC000264647397 521372056 /nfs/dbraw/zinc/37/20/56/521372056.db2.gz WMLUWIMLXSDQHD-CQSZACIVSA-N 0 3 294.395 1.601 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000061375431 523607200 /nfs/dbraw/zinc/60/72/00/523607200.db2.gz WQBWOFVFVJFIQM-UHFFFAOYSA-N 0 3 268.357 1.069 20 10 CDCDHN COCCN(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000061375649 523610251 /nfs/dbraw/zinc/61/02/51/523610251.db2.gz IWYKDWUTUYAOCU-LBPRGKRZSA-N 0 3 252.358 1.621 20 10 CDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000083058679 524060279 /nfs/dbraw/zinc/06/02/79/524060279.db2.gz UCSRPMMHAGPOIJ-UHFFFAOYSA-N 0 3 278.400 1.456 20 10 CDCDHN C[C@@H]1CCCCN1CCNC(=O)Cc1ccc(N)cc1 ZINC000237677889 524108992 /nfs/dbraw/zinc/10/89/92/524108992.db2.gz JILCEFFORSYIRB-CYBMUJFWSA-N 0 3 275.396 1.802 20 10 CDCDHN C[C@H](CNC(=O)NCc1ccccc1O)N(C)C1CC1 ZINC000264302474 524418396 /nfs/dbraw/zinc/41/83/96/524418396.db2.gz OIQDUOUPCOPXGK-LLVKDONJSA-N 0 3 277.368 1.674 20 10 CDCDHN C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000279569611 525308031 /nfs/dbraw/zinc/30/80/31/525308031.db2.gz AILKJOXFBMQEJR-HNNXBMFYSA-N 0 3 279.336 1.858 20 10 CDCDHN C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000279569611 525308038 /nfs/dbraw/zinc/30/80/38/525308038.db2.gz AILKJOXFBMQEJR-HNNXBMFYSA-N 0 3 279.336 1.858 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1C ZINC000292734252 525321876 /nfs/dbraw/zinc/32/18/76/525321876.db2.gz QFOGUQWMACOVAB-KGLIPLIRSA-N 0 3 265.353 1.639 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280306634 525349293 /nfs/dbraw/zinc/34/92/93/525349293.db2.gz NYXFYEVFMVBJKY-TZMCWYRMSA-N 0 3 265.353 1.435 20 10 CDCDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083400 525419107 /nfs/dbraw/zinc/41/91/07/525419107.db2.gz ILYMOGJWYUVPTK-QWHCGFSZSA-N 0 3 296.436 1.838 20 10 CDCDHN Cc1ccc([C@@H](C)NCC(=O)N2CCOCC2)c(O)c1C ZINC000273517862 525722221 /nfs/dbraw/zinc/72/22/21/525722221.db2.gz SVLBJHHOFYCOSC-CYBMUJFWSA-N 0 3 292.379 1.518 20 10 CDCDHN COc1cccc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000293109162 526016409 /nfs/dbraw/zinc/01/64/09/526016409.db2.gz YJEDTBAOIPLSAD-UHFFFAOYSA-N 0 3 276.340 1.252 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277683988 526372300 /nfs/dbraw/zinc/37/23/00/526372300.db2.gz PXEQSQUJUIFOOT-UHFFFAOYSA-N 0 3 284.363 1.941 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000730818588 575013195 /nfs/dbraw/zinc/01/31/95/575013195.db2.gz ZKGDEKGYYNXNPL-GFCCVEGCSA-N 0 3 280.368 1.211 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000771929219 575637838 /nfs/dbraw/zinc/63/78/38/575637838.db2.gz VDFBZPFIZPOULA-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000771929219 575637840 /nfs/dbraw/zinc/63/78/40/575637840.db2.gz VDFBZPFIZPOULA-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1OC ZINC000765794531 576055959 /nfs/dbraw/zinc/05/59/59/576055959.db2.gz DBYUWEQVNRPQIZ-PWSUYJOCSA-N 0 3 278.352 1.405 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCCO1 ZINC000768442599 576283179 /nfs/dbraw/zinc/28/31/79/576283179.db2.gz MHRZRFJEGKCEAP-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCCO1 ZINC000768442599 576283182 /nfs/dbraw/zinc/28/31/82/576283182.db2.gz MHRZRFJEGKCEAP-DOMZBBRYSA-N 0 3 293.363 1.819 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000761222492 576561054 /nfs/dbraw/zinc/56/10/54/576561054.db2.gz JMTCSJRTPRTJQD-UONOGXRCSA-N 0 3 265.353 1.984 20 10 CDCDHN NC(=O)[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000758143122 577075162 /nfs/dbraw/zinc/07/51/62/577075162.db2.gz DVRWSKWOTVIJFS-MRXNPFEDSA-N 0 3 296.370 1.808 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758505023 577112332 /nfs/dbraw/zinc/11/23/32/577112332.db2.gz KEJHZZPZVISVOA-NSHDSACASA-N 0 3 273.336 1.771 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)N(C)C)c1O ZINC000894554110 618961742 /nfs/dbraw/zinc/96/17/42/618961742.db2.gz UMPNTQVWCMULEY-JTQLQIEISA-N 0 3 266.341 1.276 20 10 CDCDHN Cc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c([O-])c1 ZINC000896909672 620299046 /nfs/dbraw/zinc/29/90/46/620299046.db2.gz WTFWUJRADHUNKK-UHFFFAOYSA-N 0 3 263.337 1.943 20 10 CDCDHN Oc1cc2c(cc1CNCc1cccnc1)OCO2 ZINC000042879503 626218284 /nfs/dbraw/zinc/21/82/84/626218284.db2.gz MDNXAODWCBVNEP-UHFFFAOYSA-N 0 3 258.277 1.806 20 10 CDCDHN COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])[nH]1 ZINC000793389029 1162417561 /nfs/dbraw/zinc/41/75/61/1162417561.db2.gz SZTYCFDWQUSICX-UHFFFAOYSA-N 0 3 290.319 1.805 20 10 CDCDHN CCOc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1O ZINC000697615205 1160685577 /nfs/dbraw/zinc/68/55/77/1160685577.db2.gz YLBBRAQMBSZHMX-SNVBAGLBSA-N 0 3 287.381 1.314 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001168966824 1161996088 /nfs/dbraw/zinc/99/60/88/1161996088.db2.gz LLOCRPAHHBJKJZ-CMPLNLGQSA-N 0 3 250.298 1.927 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000877000182 1165957624 /nfs/dbraw/zinc/95/76/24/1165957624.db2.gz LGYGKGVSKUWILO-CYBMUJFWSA-N 0 3 265.353 1.578 20 10 CDCDHN CCCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825913 1165980121 /nfs/dbraw/zinc/98/01/21/1165980121.db2.gz GPUWKWBNVBSSKD-CQSZACIVSA-N 0 3 263.385 1.886 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCOC[C@@H]2C)c([O-])c1 ZINC000877150243 1165983591 /nfs/dbraw/zinc/98/35/91/1165983591.db2.gz MVBVGBPWWLZQQH-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)cc2O)C1 ZINC000877178009 1165988924 /nfs/dbraw/zinc/98/89/24/1165988924.db2.gz YUDJRRYDLOLECH-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000866457318 1164783758 /nfs/dbraw/zinc/78/37/58/1164783758.db2.gz MECFJIAOLYRQME-VIFPVBQESA-N 0 3 290.360 1.121 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000872141221 1165383858 /nfs/dbraw/zinc/38/38/58/1165383858.db2.gz QYQDHCQDEOQGLF-UORFTKCHSA-N 0 3 281.327 1.819 20 10 CDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877048648 1165965054 /nfs/dbraw/zinc/96/50/54/1165965054.db2.gz NRAZQAPSEHQUMZ-GXFFZTMASA-N 0 3 255.383 1.903 20 10 CDCDHN Cc1ccc(CN2CCN3CCOC[C@H]3C2)c(O)c1 ZINC000877330388 1166018474 /nfs/dbraw/zinc/01/84/74/1166018474.db2.gz BQIBSQAXXPFHBN-CQSZACIVSA-N 0 3 262.353 1.217 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000877472182 1166045345 /nfs/dbraw/zinc/04/53/45/1166045345.db2.gz MEFBDOHVRTWSGF-CYBMUJFWSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000877472182 1166045351 /nfs/dbraw/zinc/04/53/51/1166045351.db2.gz MEFBDOHVRTWSGF-CYBMUJFWSA-N 0 3 274.364 1.897 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769533 912830189 /nfs/dbraw/zinc/83/01/89/912830189.db2.gz NBGYLACBUMDKLX-KBPBESRZSA-N 0 3 287.367 1.994 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769533 912830206 /nfs/dbraw/zinc/83/02/06/912830206.db2.gz NBGYLACBUMDKLX-KBPBESRZSA-N 0 3 287.367 1.994 20 10 CDCDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(OC)cc2O)C1 ZINC000092705832 902206690 /nfs/dbraw/zinc/20/66/90/902206690.db2.gz NVRGTCCEEVPGAJ-CYBMUJFWSA-N 0 3 292.379 1.891 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922166828 921306396 /nfs/dbraw/zinc/30/63/96/921306396.db2.gz JVLGYFOWVYJFDF-GDBMZVCRSA-N 0 3 277.364 1.905 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1ccccc1[O-] ZINC000323032892 909042918 /nfs/dbraw/zinc/04/29/18/909042918.db2.gz MSXRYVBJQAFVHM-CMPLNLGQSA-N 0 3 250.342 1.958 20 10 CDCDHN O[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922306850 921501144 /nfs/dbraw/zinc/50/11/44/921501144.db2.gz CDSZRVXYULGSCN-ZIAGYGMSSA-N 0 3 263.337 1.251 20 10 CDCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267759 910655181 /nfs/dbraw/zinc/65/51/81/910655181.db2.gz FBFQDOKRBYBIGF-NWDGAFQWSA-N 0 3 263.385 1.880 20 10 CDCDHN N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004332 936472926 /nfs/dbraw/zinc/47/29/26/936472926.db2.gz FNXUSCQMJOMQML-ZDUSSCGKSA-N 0 3 297.349 1.886 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000827700013 936604636 /nfs/dbraw/zinc/60/46/36/936604636.db2.gz NXJGWVWPNUUKOU-XHDPSFHLSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000827700013 936604637 /nfs/dbraw/zinc/60/46/37/936604637.db2.gz NXJGWVWPNUUKOU-XHDPSFHLSA-N 0 3 265.353 1.851 20 10 CDCDHN O=C1OCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000827741627 936605819 /nfs/dbraw/zinc/60/58/19/936605819.db2.gz XZPSKVXOMZAPLQ-UHFFFAOYSA-N 0 3 276.336 1.809 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[O-] ZINC000384563458 936621366 /nfs/dbraw/zinc/62/13/66/936621366.db2.gz ICMGKCAIUOJERD-FICVDOATSA-N 0 3 292.354 1.726 20 10 CDCDHN CNC(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000398446296 936711413 /nfs/dbraw/zinc/71/14/13/936711413.db2.gz LJKODIAUSUDAPE-LLVKDONJSA-N 0 3 250.342 1.877 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCc1cnc(C)cn1 ZINC000835060110 936715701 /nfs/dbraw/zinc/71/57/01/936715701.db2.gz AMUMMMIZFJAFKC-UHFFFAOYSA-N 0 3 273.336 1.832 20 10 CDCDHN Cc1c(O)ccc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC001140750897 936750301 /nfs/dbraw/zinc/75/03/01/936750301.db2.gz BLPNMAZYPYNYQW-UHFFFAOYSA-N 0 3 294.395 1.295 20 10 CDCDHN COc1ccc(CN[C@H]2CCCN(C)C2=O)cc1C ZINC000704343259 922870434 /nfs/dbraw/zinc/87/04/34/922870434.db2.gz SWVAXEUDWZGQTQ-ZDUSSCGKSA-N 0 3 262.353 1.714 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141028966 936794361 /nfs/dbraw/zinc/79/43/61/936794361.db2.gz FTIAQOYOXNPTPE-MNOVXSKESA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141028966 936794364 /nfs/dbraw/zinc/79/43/64/936794364.db2.gz FTIAQOYOXNPTPE-MNOVXSKESA-N 0 3 281.352 1.755 20 10 CDCDHN COCC1(C)CN(Cc2cccc(OC)c2O)C1 ZINC000839145963 936906716 /nfs/dbraw/zinc/90/67/16/936906716.db2.gz XPOVIRYGBYXUHT-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN C[NH2+][C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843348604 937141327 /nfs/dbraw/zinc/14/13/27/937141327.db2.gz SMVXNCFGHUSTJM-ZDUSSCGKSA-N 0 3 280.343 1.918 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000780787247 937204719 /nfs/dbraw/zinc/20/47/19/937204719.db2.gz TWOHPQDKDGQOPD-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000780787247 937204722 /nfs/dbraw/zinc/20/47/22/937204722.db2.gz TWOHPQDKDGQOPD-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN CCn1nncc1CN[C@@H](C)c1cccc(OC)c1O ZINC000858440628 928864806 /nfs/dbraw/zinc/86/48/06/928864806.db2.gz ZQOXAPWJTDTSQI-JTQLQIEISA-N 0 3 276.340 1.863 20 10 CDCDHN CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1[O-] ZINC000858602402 928895035 /nfs/dbraw/zinc/89/50/35/928895035.db2.gz YJQSJHWTQCSTOA-JSGCOSHPSA-N 0 3 264.369 1.500 20 10 CDCDHN COc1cccc(O)c1CNC[C@H]1CCCCS1(=O)=O ZINC000784621381 937305675 /nfs/dbraw/zinc/30/56/75/937305675.db2.gz OYYLCRAGMCTFIV-LLVKDONJSA-N 0 3 299.392 1.458 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)CC(F)F)CC2 ZINC000717743095 931074780 /nfs/dbraw/zinc/07/47/80/931074780.db2.gz GZLLIRYZJAYSTM-UWVGGRQHSA-N 0 3 257.280 1.985 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000824583997 931470990 /nfs/dbraw/zinc/47/09/90/931470990.db2.gz UQZMSVYFTTVUKT-CYBMUJFWSA-N 0 3 294.395 1.337 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906775 932123649 /nfs/dbraw/zinc/12/36/49/932123649.db2.gz KOLNUEMLTKFYAY-INIZCTEOSA-N 0 3 294.370 1.828 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001275906775 932123652 /nfs/dbraw/zinc/12/36/52/932123652.db2.gz KOLNUEMLTKFYAY-INIZCTEOSA-N 0 3 294.370 1.828 20 10 CDCDHN CN1CCCc2cc(CN[C@H]3C(=O)NCC3(C)C)ccc21 ZINC000924869612 932827431 /nfs/dbraw/zinc/82/74/31/932827431.db2.gz HXHUBYPPZGOXIW-HNNXBMFYSA-N 0 3 287.407 1.683 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CCS(=O)(=O)CC1 ZINC000779020721 934339191 /nfs/dbraw/zinc/33/91/91/934339191.db2.gz YURGMHHJBIUUCM-NSHDSACASA-N 0 3 283.393 1.695 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN1CC2(C1)CCOC2 ZINC001138494684 934459062 /nfs/dbraw/zinc/45/90/62/934459062.db2.gz FYQCVSMXLYCMEK-UHFFFAOYSA-N 0 3 288.391 1.746 20 10 CDCDHN CCOc1ccc(C[NH2+]C2(C(=O)NC)CCCC2)c([O-])c1 ZINC000779176865 934462510 /nfs/dbraw/zinc/46/25/10/934462510.db2.gz SEPLMHHOLDQHTA-UHFFFAOYSA-N 0 3 292.379 1.939 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001203562088 939693213 /nfs/dbraw/zinc/69/32/13/939693213.db2.gz DITQQTAEFGZCPN-ZDUSSCGKSA-N 0 3 271.320 1.836 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001203562088 939693215 /nfs/dbraw/zinc/69/32/15/939693215.db2.gz DITQQTAEFGZCPN-ZDUSSCGKSA-N 0 3 271.320 1.836 20 10 CDCDHN COc1ccc(O)c(CN2CCc3nncn3CC2)c1 ZINC001203670006 939700251 /nfs/dbraw/zinc/70/02/51/939700251.db2.gz JRMRVHOFQMIXET-UHFFFAOYSA-N 0 3 274.324 1.051 20 10 CDCDHN CC(C)N1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874317 939709948 /nfs/dbraw/zinc/70/99/48/939709948.db2.gz TWBFZFOAQMZEEI-UHFFFAOYSA-N 0 3 250.342 1.624 20 10 CDCDHN O=C1CCC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203884761 939712110 /nfs/dbraw/zinc/71/21/10/939712110.db2.gz ZCFZNPOHCPTENZ-NWDGAFQWSA-N 0 3 261.321 1.899 20 10 CDCDHN O=C1CC2(CN1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204272479 939749704 /nfs/dbraw/zinc/74/97/04/939749704.db2.gz OQYJGPLWMLSWGQ-UHFFFAOYSA-N 0 3 276.336 1.200 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204275198 939750033 /nfs/dbraw/zinc/75/00/33/939750033.db2.gz YVRSMNOAXINQLZ-CHWSQXEVSA-N 0 3 276.336 1.293 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204275198 939750034 /nfs/dbraw/zinc/75/00/34/939750034.db2.gz YVRSMNOAXINQLZ-CHWSQXEVSA-N 0 3 276.336 1.293 20 10 CDCDHN O=C1NCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)O1 ZINC001204279243 939752003 /nfs/dbraw/zinc/75/20/03/939752003.db2.gz TXUSGEKLAIBSLZ-UHFFFAOYSA-N 0 3 278.308 1.172 20 10 CDCDHN C[NH+]1CCN(C2CN(Cc3cccc(Cl)c3[O-])C2)CC1 ZINC001231914867 943054287 /nfs/dbraw/zinc/05/42/87/943054287.db2.gz SZPXTCVRTWPHLB-UHFFFAOYSA-N 0 3 295.814 1.477 20 10 CDCDHN CN1C[C@@H]2C[C@H]1CN2Cc1c([O-])ccc(F)c1F ZINC001233335013 943548774 /nfs/dbraw/zinc/54/87/74/943548774.db2.gz DHUWDJVLWPSFJT-IUCAKERBSA-N 0 3 254.280 1.559 20 10 CDCDHN C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c([O-])ccc(F)c1F ZINC001233335013 943548777 /nfs/dbraw/zinc/54/87/77/943548777.db2.gz DHUWDJVLWPSFJT-IUCAKERBSA-N 0 3 254.280 1.559 20 10 CDCDHN C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c([O-])ccc(F)c1F ZINC001233335013 943548782 /nfs/dbraw/zinc/54/87/82/943548782.db2.gz DHUWDJVLWPSFJT-IUCAKERBSA-N 0 3 254.280 1.559 20 10 CDCDHN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233482993 943591294 /nfs/dbraw/zinc/59/12/94/943591294.db2.gz KEBSBWJGHIOOPV-VIFPVBQESA-N 0 3 253.298 1.414 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CCCCN2C)c(O)c1O ZINC001262652800 943656917 /nfs/dbraw/zinc/65/69/17/943656917.db2.gz QDSOLLCRQZAZEW-NSHDSACASA-N 0 3 278.352 1.620 20 10 CDCDHN CCN1CCN(c2ccc(O[C@@H]3COC(=O)C3)cc2)CC1 ZINC001234657990 943930961 /nfs/dbraw/zinc/93/09/61/943930961.db2.gz PVFKVRZXDGUSBZ-HNNXBMFYSA-N 0 3 290.363 1.523 20 10 CDCDHN COc1cc(O)c(CN2CC([C@@H](C)OC)C2)cc1OC ZINC001236753043 944558148 /nfs/dbraw/zinc/55/81/48/944558148.db2.gz GEBWWHUSOFGWES-SNVBAGLBSA-N 0 3 281.352 1.876 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001236784631 944567323 /nfs/dbraw/zinc/56/73/23/944567323.db2.gz XLCFOVOEZNGZDJ-HIFRSBDPSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001236784631 944567328 /nfs/dbraw/zinc/56/73/28/944567328.db2.gz XLCFOVOEZNGZDJ-HIFRSBDPSA-N 0 3 265.353 1.130 20 10 CDCDHN CC[N@H+](CCC(N)=O)Cc1c(C)cc(OC)cc1[O-] ZINC001236813353 944577878 /nfs/dbraw/zinc/57/78/78/944577878.db2.gz IVZYLOWMKUGLOY-UHFFFAOYSA-N 0 3 266.341 1.407 20 10 CDCDHN CC[N@@H+](CCC(N)=O)Cc1c(C)cc(OC)cc1[O-] ZINC001236813353 944577883 /nfs/dbraw/zinc/57/78/83/944577883.db2.gz IVZYLOWMKUGLOY-UHFFFAOYSA-N 0 3 266.341 1.407 20 10 CDCDHN Nc1ccc(CN2CCNC[C@@H]2C(F)(F)F)cc1 ZINC001236980698 944630992 /nfs/dbraw/zinc/63/09/92/944630992.db2.gz KBQOVEZIOXATFW-LLVKDONJSA-N 0 3 259.275 1.605 20 10 CDCDHN CCOC[C@@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001252029225 951069917 /nfs/dbraw/zinc/06/99/17/951069917.db2.gz PMCIYEWYQLSENI-ZDUSSCGKSA-N 0 3 253.342 1.612 20 10 CDCDHN CCOC[C@@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001252029225 951069924 /nfs/dbraw/zinc/06/99/24/951069924.db2.gz PMCIYEWYQLSENI-ZDUSSCGKSA-N 0 3 253.342 1.612 20 10 CDCDHN C[NH2+][C@@H](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325743051 954054363 /nfs/dbraw/zinc/05/43/63/954054363.db2.gz ITSKDHCZFLZOAH-VHSXEESVSA-N 0 3 267.329 1.949 20 10 CDCDHN COCCOCCOCCC[NH2+]Cc1ccccc1[O-] ZINC000274346972 365630734 /nfs/dbraw/zinc/63/07/34/365630734.db2.gz AFNRTCJGOMPXRW-UHFFFAOYSA-N 0 3 283.368 1.552 20 10 CDCDHN CCN(CC)c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184195542 343173375 /nfs/dbraw/zinc/17/33/75/343173375.db2.gz NQLGANFNMHISHZ-INIZCTEOSA-N 0 3 278.396 1.774 20 10 CDCDHN CCOc1cccc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000093481403 342428613 /nfs/dbraw/zinc/42/86/13/342428613.db2.gz PNZKMXHWELDLAA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000093481403 342428614 /nfs/dbraw/zinc/42/86/14/342428614.db2.gz PNZKMXHWELDLAA-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c([O-])c1 ZINC000036781429 356883440 /nfs/dbraw/zinc/88/34/40/356883440.db2.gz FGQWKQXTMMGAMW-LLVKDONJSA-N 0 3 250.342 1.876 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCc1ccco1 ZINC000180921933 357293620 /nfs/dbraw/zinc/29/36/20/357293620.db2.gz WYSFLTQYGJHGJG-SNVBAGLBSA-N 0 3 292.310 1.919 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000296094745 357611355 /nfs/dbraw/zinc/61/13/55/357611355.db2.gz YJCRLPQFSOQEIR-ZDUSSCGKSA-N 0 3 278.396 1.808 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000188829401 357942788 /nfs/dbraw/zinc/94/27/88/357942788.db2.gz NOQKWNATIRNZRJ-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000188829401 357942791 /nfs/dbraw/zinc/94/27/91/357942791.db2.gz NOQKWNATIRNZRJ-CQSZACIVSA-N 0 3 265.353 1.938 20 10 CDCDHN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@H](F)CN1 ZINC000188921937 357952434 /nfs/dbraw/zinc/95/24/34/357952434.db2.gz SBDSOTGPSRHDJT-SMDDNHRTSA-N 0 3 292.354 1.587 20 10 CDCDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000038013693 359473667 /nfs/dbraw/zinc/47/36/67/359473667.db2.gz KNZKXEWYDJONOK-LLVKDONJSA-N 0 3 280.368 1.795 20 10 CDCDHN Cn1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000267104262 363736290 /nfs/dbraw/zinc/73/62/90/363736290.db2.gz PRGGCVAKZUJUHH-UHFFFAOYSA-N 0 3 260.293 1.749 20 10 CDCDHN Cn1ccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000267104262 363736294 /nfs/dbraw/zinc/73/62/94/363736294.db2.gz PRGGCVAKZUJUHH-UHFFFAOYSA-N 0 3 260.293 1.749 20 10 CDCDHN CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(CC)CC ZINC000269204825 364156053 /nfs/dbraw/zinc/15/60/53/364156053.db2.gz MYXQCOAWIVOHMN-ZDUSSCGKSA-N 0 3 294.395 1.877 20 10 CDCDHN O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000273709817 365518065 /nfs/dbraw/zinc/51/80/65/365518065.db2.gz FVUSIWOBRGBMLZ-ZDUSSCGKSA-N 0 3 275.352 1.428 20 10 CDCDHN O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000273709817 365518073 /nfs/dbraw/zinc/51/80/73/365518073.db2.gz FVUSIWOBRGBMLZ-ZDUSSCGKSA-N 0 3 275.352 1.428 20 10 CDCDHN C[N@H+](CCc1cnccn1)Cc1cc(F)ccc1[O-] ZINC000273686386 365518323 /nfs/dbraw/zinc/51/83/23/365518323.db2.gz ANKLJVRQRPKABD-UHFFFAOYSA-N 0 3 261.300 1.996 20 10 CDCDHN C[N@@H+](CCc1cnccn1)Cc1cc(F)ccc1[O-] ZINC000273686386 365518331 /nfs/dbraw/zinc/51/83/31/365518331.db2.gz ANKLJVRQRPKABD-UHFFFAOYSA-N 0 3 261.300 1.996 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000273467207 365499506 /nfs/dbraw/zinc/49/95/06/365499506.db2.gz FAVLWSRJDZVKBW-XHDPSFHLSA-N 0 3 275.352 1.818 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000273467198 365499609 /nfs/dbraw/zinc/49/96/09/365499609.db2.gz FAVLWSRJDZVKBW-ABAIWWIYSA-N 0 3 275.352 1.818 20 10 CDCDHN CCN(C[C@@H](O)CN(C)C1CC1)c1ccc(OC)cc1 ZINC000289299314 369540826 /nfs/dbraw/zinc/54/08/26/369540826.db2.gz CHWRDSNGLHHIDJ-HNNXBMFYSA-N 0 3 278.396 1.977 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295209912 378662452 /nfs/dbraw/zinc/66/24/52/378662452.db2.gz ZXEARSCRODZPOX-OAHLLOKOSA-N 0 3 278.396 1.637 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000019899925 1172571691 /nfs/dbraw/zinc/57/16/91/1172571691.db2.gz SVIHVIKTPBTPEO-UWVGGRQHSA-N 0 3 255.339 1.230 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185194087 262301819 /nfs/dbraw/zinc/30/18/19/262301819.db2.gz OKDBKRWYSFHYSP-LLVKDONJSA-N 0 3 280.368 1.920 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+](C)CCN2CCOCC2)c1 ZINC000092974916 390898975 /nfs/dbraw/zinc/89/89/75/390898975.db2.gz UZJZDFJCNXEZDD-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCN2CCOCC2)c1 ZINC000092974916 390898977 /nfs/dbraw/zinc/89/89/77/390898977.db2.gz UZJZDFJCNXEZDD-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN Cc1ccc(O)c(CN(C)CCN2CCOCC2)c1 ZINC000092974916 390898978 /nfs/dbraw/zinc/89/89/78/390898978.db2.gz UZJZDFJCNXEZDD-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN NC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000093809210 390904454 /nfs/dbraw/zinc/90/44/54/390904454.db2.gz RLICYLYOOFPNDW-JTQLQIEISA-N 0 3 292.335 1.208 20 10 CDCDHN NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000093809210 390904455 /nfs/dbraw/zinc/90/44/55/390904455.db2.gz RLICYLYOOFPNDW-JTQLQIEISA-N 0 3 292.335 1.208 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H](CO)C(C)(C)C)cc1OC ZINC000194632144 391365355 /nfs/dbraw/zinc/36/53/55/391365355.db2.gz QULFUZNQMKJGQQ-CQSZACIVSA-N 0 3 283.368 1.906 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287360863 392123669 /nfs/dbraw/zinc/12/36/69/392123669.db2.gz OBIAPSPUZHHHPN-NSHDSACASA-N 0 3 283.368 1.839 20 10 CDCDHN O=C(c1cccc2c1CCNC2)N1CCc2ccncc21 ZINC000662809001 413529513 /nfs/dbraw/zinc/52/95/13/413529513.db2.gz XRRAXGCQPJZKBD-UHFFFAOYSA-N 0 3 279.343 1.930 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186203135 262084574 /nfs/dbraw/zinc/08/45/74/262084574.db2.gz NHWORQDBNWOKHD-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818280 263008925 /nfs/dbraw/zinc/00/89/25/263008925.db2.gz FJGPBZRYVXKKNR-ZWNOBZJWSA-N 0 3 261.325 1.510 20 10 CDCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000276829277 263038355 /nfs/dbraw/zinc/03/83/55/263038355.db2.gz QVHMVBLNVFYXMG-ZDUSSCGKSA-N 0 3 260.337 1.589 20 10 CDCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000276829277 263038356 /nfs/dbraw/zinc/03/83/56/263038356.db2.gz QVHMVBLNVFYXMG-ZDUSSCGKSA-N 0 3 260.337 1.589 20 10 CDCDHN COc1cc(O)c(CN2CC([C@@H]3CCOC3)C2)cc1OC ZINC000368441473 267172920 /nfs/dbraw/zinc/17/29/20/267172920.db2.gz LKLNDBZDSVNTQH-LLVKDONJSA-N 0 3 293.363 1.878 20 10 CDCDHN COc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368971712 267215259 /nfs/dbraw/zinc/21/52/59/267215259.db2.gz CUWPPFYGUKTQIS-SUHUHFCYSA-N 0 3 290.363 1.487 20 10 CDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000371325223 267390797 /nfs/dbraw/zinc/39/07/97/267390797.db2.gz CMALCPNUIGCNCF-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290601040 328259915 /nfs/dbraw/zinc/25/99/15/328259915.db2.gz VXEPAHUMUSNUTL-LLVKDONJSA-N 0 3 299.392 1.315 20 10 CDCDHN CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790617113 1162164335 /nfs/dbraw/zinc/16/43/35/1162164335.db2.gz BQZAXHYMUBZIDH-LLVKDONJSA-N 0 3 278.352 1.700 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289537621 524410661 /nfs/dbraw/zinc/41/06/61/524410661.db2.gz HWICPJDQFXMRIF-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289537621 524410669 /nfs/dbraw/zinc/41/06/69/524410669.db2.gz HWICPJDQFXMRIF-ZBFHGGJFSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2cnn(C)c2)c1 ZINC000041158807 524771022 /nfs/dbraw/zinc/77/10/22/524771022.db2.gz SQZUTCRKFZVANL-JTQLQIEISA-N 0 3 261.325 1.985 20 10 CDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295170147 525396704 /nfs/dbraw/zinc/39/67/04/525396704.db2.gz LISMIINEWHAROO-GFCCVEGCSA-N 0 3 287.407 1.826 20 10 CDCDHN C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1[O-] ZINC000289815529 525443432 /nfs/dbraw/zinc/44/34/32/525443432.db2.gz ORVBCLPPPRECML-LLVKDONJSA-N 0 3 276.340 1.217 20 10 CDCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000072895202 525446238 /nfs/dbraw/zinc/44/62/38/525446238.db2.gz YHRCOPVWBDKTHU-ZDUSSCGKSA-N 0 3 275.396 1.853 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275850400 525950928 /nfs/dbraw/zinc/95/09/28/525950928.db2.gz HYPIMNPVGRUVIT-ZDUSSCGKSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275850400 525950934 /nfs/dbraw/zinc/95/09/34/525950934.db2.gz HYPIMNPVGRUVIT-ZDUSSCGKSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOC(=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000770666344 575483562 /nfs/dbraw/zinc/48/35/62/575483562.db2.gz YWXNDROQRIJQGX-UHFFFAOYSA-N 0 3 293.319 1.554 20 10 CDCDHN CCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764608922 575925462 /nfs/dbraw/zinc/92/54/62/575925462.db2.gz OTZTYAXTBFEQLW-CYBMUJFWSA-N 0 3 291.395 1.310 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c1[O-] ZINC000765797242 576056889 /nfs/dbraw/zinc/05/68/89/576056889.db2.gz RBBWRVFJLFEVNB-OLZOCXBDSA-N 0 3 292.379 1.795 20 10 CDCDHN C[C@@H]1C[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768466176 576288154 /nfs/dbraw/zinc/28/81/54/576288154.db2.gz NNJQNTMWYVGSAQ-GPCCPHFNSA-N 0 3 263.337 1.906 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCc2ccn(C)n2)c1 ZINC000760634718 576497801 /nfs/dbraw/zinc/49/78/01/576497801.db2.gz UIDMXIOTKOFAEC-UHFFFAOYSA-N 0 3 275.352 1.857 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNC[C@H](C)S(C)(=O)=O ZINC000840936233 617609089 /nfs/dbraw/zinc/60/90/89/617609089.db2.gz HCVATAJGGMKELQ-LBPRGKRZSA-N 0 3 284.425 1.584 20 10 CDCDHN COc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)c(O)c1OC ZINC000893888649 618159176 /nfs/dbraw/zinc/15/91/76/618159176.db2.gz LSKDXEBGZAGBDU-ABAIWWIYSA-N 0 3 279.336 1.224 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503335 618548696 /nfs/dbraw/zinc/54/86/96/618548696.db2.gz GIEYHEWFZZZLRY-ZDUSSCGKSA-N 0 3 258.325 1.821 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503335 618548700 /nfs/dbraw/zinc/54/87/00/618548700.db2.gz GIEYHEWFZZZLRY-ZDUSSCGKSA-N 0 3 258.325 1.821 20 10 CDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000877693910 618701586 /nfs/dbraw/zinc/70/15/86/618701586.db2.gz UEMUAJXNAAFXAF-WKEGUHRASA-N 0 3 267.222 1.933 20 10 CDCDHN CCOc1ccc(O)c(CN[C@H]2C(=O)NCC2(C)C)c1 ZINC000895317055 619548444 /nfs/dbraw/zinc/54/84/44/619548444.db2.gz LXZNWLFTWAJUJD-ZDUSSCGKSA-N 0 3 278.352 1.405 20 10 CDCDHN COCC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895971637 619928903 /nfs/dbraw/zinc/92/89/03/619928903.db2.gz MVYQAVLMEGKUKU-UHFFFAOYSA-N 0 3 276.380 1.601 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384913 620081045 /nfs/dbraw/zinc/08/10/45/620081045.db2.gz BLGLNALTGLNIIW-JTQLQIEISA-N 0 3 267.300 1.726 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384913 620081048 /nfs/dbraw/zinc/08/10/48/620081048.db2.gz BLGLNALTGLNIIW-JTQLQIEISA-N 0 3 267.300 1.726 20 10 CDCDHN C[C@H]([NH2+]CCN1CCCOCC1)c1cc(F)ccc1[O-] ZINC000903228925 625926306 /nfs/dbraw/zinc/92/63/06/625926306.db2.gz TXFKBSDZIUMVFE-LBPRGKRZSA-N 0 3 282.359 1.904 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCSC2)c([O-])c1 ZINC000877082195 630609268 /nfs/dbraw/zinc/60/92/68/630609268.db2.gz NOVRRRAROXVVSI-CYBMUJFWSA-N 0 3 253.367 1.658 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1F ZINC000865667331 1164677669 /nfs/dbraw/zinc/67/76/69/1164677669.db2.gz YRMQEPLKHOCYLB-HIFRSBDPSA-N 0 3 282.359 1.521 20 10 CDCDHN COCC(=O)NC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876618504 1165881050 /nfs/dbraw/zinc/88/10/50/1165881050.db2.gz XCJFDLJJOISPPE-UHFFFAOYSA-N 0 3 292.379 1.428 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877588614 1166063635 /nfs/dbraw/zinc/06/36/35/1166063635.db2.gz UNULZOCLBGGJSE-ZDUSSCGKSA-N 0 3 262.353 1.611 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877588614 1166063640 /nfs/dbraw/zinc/06/36/40/1166063640.db2.gz UNULZOCLBGGJSE-ZDUSSCGKSA-N 0 3 262.353 1.611 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032008 899342995 /nfs/dbraw/zinc/34/29/95/899342995.db2.gz PYANDIBRTNSMHE-GHMZBOCLSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032008 899343010 /nfs/dbraw/zinc/34/30/10/899343010.db2.gz PYANDIBRTNSMHE-GHMZBOCLSA-N 0 3 281.352 1.755 20 10 CDCDHN C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2CC1 ZINC001269607471 903976408 /nfs/dbraw/zinc/97/64/08/903976408.db2.gz AZPQIJMHNMJNRN-TXEJJXNPSA-N 0 3 290.363 1.512 20 10 CDCDHN C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2CC1 ZINC001269607471 903976425 /nfs/dbraw/zinc/97/64/25/903976425.db2.gz AZPQIJMHNMJNRN-TXEJJXNPSA-N 0 3 290.363 1.512 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204278749 916587568 /nfs/dbraw/zinc/58/75/68/916587568.db2.gz JLGGFNZPODGMFQ-GXFFZTMASA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204278749 916587579 /nfs/dbraw/zinc/58/75/79/916587579.db2.gz JLGGFNZPODGMFQ-GXFFZTMASA-N 0 3 279.336 1.871 20 10 CDCDHN Oc1ccccc1CN1CCN(c2ccncn2)CC1 ZINC001203558736 919513267 /nfs/dbraw/zinc/51/32/67/919513267.db2.gz ZEWOZHFCIZXKAG-UHFFFAOYSA-N 0 3 270.336 1.504 20 10 CDCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057082 936675227 /nfs/dbraw/zinc/67/52/27/936675227.db2.gz BKXXIPZLPYQZKG-KBPBESRZSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057082 936675228 /nfs/dbraw/zinc/67/52/28/936675228.db2.gz BKXXIPZLPYQZKG-KBPBESRZSA-N 0 3 269.316 1.097 20 10 CDCDHN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148224714 932672431 /nfs/dbraw/zinc/67/24/31/932672431.db2.gz TYHVFIITHNZVGP-CNDDSTCGSA-N 0 3 290.363 1.843 20 10 CDCDHN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148224714 932672435 /nfs/dbraw/zinc/67/24/35/932672435.db2.gz TYHVFIITHNZVGP-CNDDSTCGSA-N 0 3 290.363 1.843 20 10 CDCDHN CCOc1cccc(CN2CCN3CC[C@@H]3C2)c1O ZINC001203617345 939696795 /nfs/dbraw/zinc/69/67/95/939696795.db2.gz OFPLQNUZOCOBFZ-CYBMUJFWSA-N 0 3 262.353 1.681 20 10 CDCDHN COc1ccc(C[N@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001203622155 939697090 /nfs/dbraw/zinc/69/70/90/939697090.db2.gz QYINKEGEBOMQOM-UHFFFAOYSA-N 0 3 274.324 1.051 20 10 CDCDHN COc1ccc(C[N@@H+]2CCc3nncn3CC2)c([O-])c1 ZINC001203622155 939697091 /nfs/dbraw/zinc/69/70/91/939697091.db2.gz QYINKEGEBOMQOM-UHFFFAOYSA-N 0 3 274.324 1.051 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001203634830 939699042 /nfs/dbraw/zinc/69/90/42/939699042.db2.gz XDHXBFKEXJJWME-ZDUSSCGKSA-N 0 3 278.352 1.453 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001203634830 939699043 /nfs/dbraw/zinc/69/90/43/939699043.db2.gz XDHXBFKEXJJWME-ZDUSSCGKSA-N 0 3 278.352 1.453 20 10 CDCDHN CCN(CCN1CCOCC1)Cc1ccc(O)c(O)c1 ZINC001203880700 939711124 /nfs/dbraw/zinc/71/11/24/939711124.db2.gz WNUVIGUIGPVKKH-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001204276757 939751397 /nfs/dbraw/zinc/75/13/97/939751397.db2.gz QCSJFCGQJSDZCG-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001204276757 939751399 /nfs/dbraw/zinc/75/13/99/939751399.db2.gz QCSJFCGQJSDZCG-AWEZNQCLSA-N 0 3 269.316 1.784 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000400150636 940843190 /nfs/dbraw/zinc/84/31/90/940843190.db2.gz BJAPDAABRWUPOD-VXGBXAGGSA-N 0 3 298.408 1.385 20 10 CDCDHN C[C@@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212438 941423978 /nfs/dbraw/zinc/42/39/78/941423978.db2.gz JXHRWKLCHHHIRA-SSDOTTSWSA-N 0 3 279.727 1.557 20 10 CDCDHN O=C([C@H]1CC12CN(Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446994 942588168 /nfs/dbraw/zinc/58/81/68/942588168.db2.gz XTEATXIZBZGHHJ-CQSZACIVSA-N 0 3 284.359 1.613 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@@H]3CCO3)cc2)CC1 ZINC001234657929 943930730 /nfs/dbraw/zinc/93/07/30/943930730.db2.gz MTYNGVDIZKECSP-INIZCTEOSA-N 0 3 276.380 1.996 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235674044 944238844 /nfs/dbraw/zinc/23/88/44/944238844.db2.gz CTKVQTFZRWYVIH-WFASDCNBSA-N 0 3 279.380 1.475 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235674044 944238846 /nfs/dbraw/zinc/23/88/46/944238846.db2.gz CTKVQTFZRWYVIH-WFASDCNBSA-N 0 3 279.380 1.475 20 10 CDCDHN Cc1cc([O-])c(CN(C)C2C[NH2+]C2)cc1Br ZINC001235922578 944322780 /nfs/dbraw/zinc/32/27/80/944322780.db2.gz ATLHKNIYKLQTNQ-UHFFFAOYSA-N 0 3 285.185 1.867 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236289801 944448798 /nfs/dbraw/zinc/44/87/98/944448798.db2.gz QLAVDYRDESPTAW-ONGXEEELSA-N 0 3 283.169 1.558 20 10 CDCDHN Cn1ccc(N2CCC[C@@H](NCc3ccc(N)cc3)C2=O)n1 ZINC001262488333 946681924 /nfs/dbraw/zinc/68/19/24/946681924.db2.gz YRLAVNYMWAGRCW-CQSZACIVSA-N 0 3 299.378 1.288 20 10 CDCDHN CCOc1ccc(N2CCN(C[C@@H](O)CC)CC2)cc1 ZINC001256559951 948344018 /nfs/dbraw/zinc/34/40/18/948344018.db2.gz IXJWTABXFDGTPO-HNNXBMFYSA-N 0 3 278.396 1.978 20 10 CDCDHN CC(C)OC[C@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252679749 951568012 /nfs/dbraw/zinc/56/80/12/951568012.db2.gz BGXUFWKEDQJYIA-CQSZACIVSA-N 0 3 295.379 1.632 20 10 CDCDHN Nc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC001334774469 954268598 /nfs/dbraw/zinc/26/85/98/954268598.db2.gz IVXQWPUEPDUNHC-KGLIPLIRSA-N 0 3 259.353 1.512 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)O ZINC001307500779 956415165 /nfs/dbraw/zinc/41/51/65/956415165.db2.gz GJYHYEBSDREUAV-AWEZNQCLSA-N 0 3 267.369 1.736 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)O ZINC001307500779 956415168 /nfs/dbraw/zinc/41/51/68/956415168.db2.gz GJYHYEBSDREUAV-AWEZNQCLSA-N 0 3 267.369 1.736 20 10 CDCDHN CC(C)CC[C@H](N)C(=O)NCc1cccc(O)c1O ZINC001575560732 1171202574 /nfs/dbraw/zinc/20/25/74/1171202574.db2.gz MQAKTJBEBFCWBK-NSHDSACASA-N 0 3 266.341 1.478 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)cc1OC ZINC000294963884 199272855 /nfs/dbraw/zinc/27/28/55/199272855.db2.gz WXAJLPVYICFFQA-AOOOYVTPSA-N 0 3 253.298 1.022 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000297773030 282126655 /nfs/dbraw/zinc/12/66/55/282126655.db2.gz PFNUWXVWUBWUCQ-CHWSQXEVSA-N 0 3 284.363 1.884 20 10 CDCDHN COc1cccc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000283903735 362694541 /nfs/dbraw/zinc/69/45/41/362694541.db2.gz HXKXJKAXJRFTFF-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN CN(C)c1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000031727513 348688139 /nfs/dbraw/zinc/68/81/39/348688139.db2.gz HHKHMYGDAWGDGQ-UHFFFAOYSA-N 0 3 290.411 1.646 20 10 CDCDHN C[C@H]1[NH2+]CCC[C@H]1NCc1cc(F)cc(F)c1[O-] ZINC001579499571 1172199242 /nfs/dbraw/zinc/19/92/42/1172199242.db2.gz TTZRUFGBXIANPD-PRHODGIISA-N 0 3 256.296 1.901 20 10 CDCDHN C[C@H]1NCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001579499571 1172199250 /nfs/dbraw/zinc/19/92/50/1172199250.db2.gz TTZRUFGBXIANPD-PRHODGIISA-N 0 3 256.296 1.901 20 10 CDCDHN CCC[C@](C)(N)C(=O)N(C)Cc1ccccc1O ZINC000037823789 356936960 /nfs/dbraw/zinc/93/69/60/356936960.db2.gz SFJDZNPMASWXEX-AWEZNQCLSA-N 0 3 250.342 1.868 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000180377455 357266390 /nfs/dbraw/zinc/26/63/90/357266390.db2.gz DDGBCKLJRSAALN-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC000180377455 357266394 /nfs/dbraw/zinc/26/63/94/357266394.db2.gz DDGBCKLJRSAALN-AWEZNQCLSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000185366003 357536453 /nfs/dbraw/zinc/53/64/53/357536453.db2.gz KUXINOKQIUPLFS-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000295694969 357551318 /nfs/dbraw/zinc/55/13/18/357551318.db2.gz SVXOKGRUYQLTCM-HZPDHXFCSA-N 0 3 276.380 1.526 20 10 CDCDHN CC(C)[C@@H](C(=O)NCc1ccccc1O)N(C)C ZINC000269151483 364147164 /nfs/dbraw/zinc/14/71/64/364147164.db2.gz QYWVYITXJUJGTR-ZDUSSCGKSA-N 0 3 250.342 1.595 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](OC)C2)cc1OC ZINC000271118845 364931800 /nfs/dbraw/zinc/93/18/00/364931800.db2.gz XDRZLHMCLNJUQU-NSHDSACASA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCSC2)cc1OC ZINC000271773385 364997503 /nfs/dbraw/zinc/99/75/03/364997503.db2.gz CBZYZXGJJPIWPT-CQSZACIVSA-N 0 3 299.392 1.367 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272334905 365193550 /nfs/dbraw/zinc/19/35/50/365193550.db2.gz XDKUVOHWVGXBJN-SECBINFHSA-N 0 3 253.273 1.526 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272334905 365193552 /nfs/dbraw/zinc/19/35/52/365193552.db2.gz XDKUVOHWVGXBJN-SECBINFHSA-N 0 3 253.273 1.526 20 10 CDCDHN CN(C)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272687290 365351761 /nfs/dbraw/zinc/35/17/61/365351761.db2.gz TUEWEHRBEWDEPC-FNORWQNLSA-N 0 3 264.325 1.131 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000233250866 367587216 /nfs/dbraw/zinc/58/72/16/367587216.db2.gz NIWGFCYUJIOZLU-INIZCTEOSA-N 0 3 292.379 1.878 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000233250866 367587224 /nfs/dbraw/zinc/58/72/24/367587224.db2.gz NIWGFCYUJIOZLU-INIZCTEOSA-N 0 3 292.379 1.878 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1C ZINC000530225177 368151439 /nfs/dbraw/zinc/15/14/39/368151439.db2.gz MKKAQYPDPXGSGF-OLZOCXBDSA-N 0 3 264.369 1.648 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000284438846 368520994 /nfs/dbraw/zinc/52/09/94/368520994.db2.gz SOVZHKZEOPJMBT-ZIAGYGMSSA-N 0 3 278.396 1.588 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186202537 378846478 /nfs/dbraw/zinc/84/64/78/378846478.db2.gz HJENLGGFOLCSLP-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296897369 390636356 /nfs/dbraw/zinc/63/63/56/390636356.db2.gz OSPIYKLEHFFAKG-RYUDHWBXSA-N 0 3 251.326 1.367 20 10 CDCDHN CCN(CC)c1ccc(CN(CCO)CCCO)cc1F ZINC000093323919 390902009 /nfs/dbraw/zinc/90/20/09/390902009.db2.gz SWZGYPUXZBCBOZ-UHFFFAOYSA-N 0 3 298.402 1.849 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1(O)CCOCC1)CC2 ZINC000297421181 285396796 /nfs/dbraw/zinc/39/67/96/285396796.db2.gz UROJTGKQFYKWGQ-ZDUSSCGKSA-N 0 3 277.364 1.901 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287360861 392123516 /nfs/dbraw/zinc/12/35/16/392123516.db2.gz OBIAPSPUZHHHPN-LLVKDONJSA-N 0 3 283.368 1.839 20 10 CDCDHN CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(O)c1[O-] ZINC000126405520 260351340 /nfs/dbraw/zinc/35/13/40/260351340.db2.gz JOFPVRMMRGXYAD-UHFFFAOYSA-N 0 3 278.352 1.512 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186202688 262312084 /nfs/dbraw/zinc/31/20/84/262312084.db2.gz XCCADAVDHANGON-GHMZBOCLSA-N 0 3 269.341 1.449 20 10 CDCDHN Cc1cccc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000293755592 328277492 /nfs/dbraw/zinc/27/74/92/328277492.db2.gz XGDGFCLYUGJADB-UHFFFAOYSA-N 0 3 260.341 1.552 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000182210610 329240796 /nfs/dbraw/zinc/24/07/96/329240796.db2.gz KPNUJJNRLLRMLF-CQSZACIVSA-N 0 3 253.342 1.578 20 10 CDCDHN CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000274962684 519789589 /nfs/dbraw/zinc/78/95/89/519789589.db2.gz UGOBLHYRKMKWMA-ABAIWWIYSA-N 0 3 294.395 1.731 20 10 CDCDHN CC(C)[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000292641885 519796196 /nfs/dbraw/zinc/79/61/96/519796196.db2.gz ZRMWUIWHVGDEIU-OAHLLOKOSA-N 0 3 276.380 1.871 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H](CO)COC)c([O-])c1 ZINC000279816565 520375236 /nfs/dbraw/zinc/37/52/36/520375236.db2.gz PCEYKWXHTHFVPY-GFCCVEGCSA-N 0 3 269.341 1.278 20 10 CDCDHN CCOc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1O ZINC000128224042 521340472 /nfs/dbraw/zinc/34/04/72/521340472.db2.gz SECFRWSHPAQPCC-AWEZNQCLSA-N 0 3 294.395 1.553 20 10 CDCDHN CCC[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000103479543 521628811 /nfs/dbraw/zinc/62/88/11/521628811.db2.gz BECXACJZSCQXGI-UHFFFAOYSA-N 0 3 279.340 1.189 20 10 CDCDHN CCC[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000103479543 521628815 /nfs/dbraw/zinc/62/88/15/521628815.db2.gz BECXACJZSCQXGI-UHFFFAOYSA-N 0 3 279.340 1.189 20 10 CDCDHN C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OCO2 ZINC000130627373 522806274 /nfs/dbraw/zinc/80/62/74/522806274.db2.gz KSAPBIZIOSHCAZ-UHFFFAOYSA-N 0 3 289.335 1.840 20 10 CDCDHN C[N@@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OCO2 ZINC000130627373 522806285 /nfs/dbraw/zinc/80/62/85/522806285.db2.gz KSAPBIZIOSHCAZ-UHFFFAOYSA-N 0 3 289.335 1.840 20 10 CDCDHN CN(C[C@@H](O)CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000289402722 523010623 /nfs/dbraw/zinc/01/06/23/523010623.db2.gz SVOFWSBNHZFZSJ-ZDUSSCGKSA-N 0 3 278.352 1.307 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1C ZINC000280387991 525322192 /nfs/dbraw/zinc/32/21/92/525322192.db2.gz WLPGFEFYWBJDRN-DZGCQCFKSA-N 0 3 279.380 1.744 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000130870195 525339506 /nfs/dbraw/zinc/33/95/06/525339506.db2.gz ITYJSZBQVGCJNQ-PIGZYNQJSA-N 0 3 255.383 1.899 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(C(C)=O)CC1 ZINC000727644785 574592837 /nfs/dbraw/zinc/59/28/37/574592837.db2.gz RLQXAXMXNDOUFM-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN C[NH+](C)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732284126 575086792 /nfs/dbraw/zinc/08/67/92/575086792.db2.gz JHSRMFHQHJBQBS-VIFPVBQESA-N 0 3 254.355 1.620 20 10 CDCDHN CCOc1ccc(CN(C)CCNC(=O)C(C)C)c(O)c1 ZINC000770378312 575473894 /nfs/dbraw/zinc/47/38/94/575473894.db2.gz CFEJBRMWLAZQBN-UHFFFAOYSA-N 0 3 294.395 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000771938474 575639288 /nfs/dbraw/zinc/63/92/88/575639288.db2.gz MAORWIQGENVGOH-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000771938474 575639290 /nfs/dbraw/zinc/63/92/90/575639290.db2.gz MAORWIQGENVGOH-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000765794796 576056244 /nfs/dbraw/zinc/05/62/44/576056244.db2.gz FQHMYQANNFTFEM-UONOGXRCSA-N 0 3 292.379 1.795 20 10 CDCDHN CCN(CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC000768251393 576267320 /nfs/dbraw/zinc/26/73/20/576267320.db2.gz DJWIYSXLPDVXME-UHFFFAOYSA-N 0 3 278.396 1.992 20 10 CDCDHN COc1cc(CN(C)[C@H]2CCOC2)c(O)cc1C ZINC000768452066 576285144 /nfs/dbraw/zinc/28/51/44/576285144.db2.gz NTUCBCFBRNMIFM-LBPRGKRZSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000744449119 576681481 /nfs/dbraw/zinc/68/14/81/576681481.db2.gz AQCUFXIKNBTRRT-GFCCVEGCSA-N 0 3 264.369 1.832 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000763478107 576738730 /nfs/dbraw/zinc/73/87/30/576738730.db2.gz AIEYHWGCGDOYTK-AWEZNQCLSA-N 0 3 267.325 1.296 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H]2CCCN(C)C2=O)c1 ZINC000748242781 576902828 /nfs/dbraw/zinc/90/28/28/576902828.db2.gz QJQVJYWELPNULJ-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756759996 577003150 /nfs/dbraw/zinc/00/31/50/577003150.db2.gz NAVIDBLQVSYGMK-MQIPJXDCSA-N 0 3 294.395 1.771 20 10 CDCDHN CCOc1ccc(O)c(CN(C)CCNC(=O)N(C)C)c1 ZINC000757864496 577058421 /nfs/dbraw/zinc/05/84/21/577058421.db2.gz HPDFHADGNNKFCH-UHFFFAOYSA-N 0 3 295.383 1.494 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000779199483 678243620 /nfs/dbraw/zinc/24/36/20/678243620.db2.gz BAFUPQRBKUMAPD-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000779199483 678243622 /nfs/dbraw/zinc/24/36/22/678243622.db2.gz BAFUPQRBKUMAPD-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc(C)cc(CN(C)CCNC(=O)N(C)C)c1O ZINC000894374222 618831007 /nfs/dbraw/zinc/83/10/07/618831007.db2.gz FCZHFSONETZNDS-UHFFFAOYSA-N 0 3 295.383 1.412 20 10 CDCDHN COc1cccc(O)c1CNC[C@H]1CC(C)=NO1 ZINC000895310474 619540149 /nfs/dbraw/zinc/54/01/49/619540149.db2.gz HVPXHEOZQPMXQW-SNVBAGLBSA-N 0 3 250.298 1.655 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2C(=O)NCC2(C)C)c1 ZINC000895315316 619544549 /nfs/dbraw/zinc/54/45/49/619544549.db2.gz DICAYKUCFUXZBK-GFCCVEGCSA-N 0 3 264.325 1.015 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)CCC(C)C)c(O)c1 ZINC000876910490 679433555 /nfs/dbraw/zinc/43/35/55/679433555.db2.gz DDMCMGOFCYKQFG-ZDUSSCGKSA-N 0 3 280.368 1.781 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@H](N)C3CCC3)ccc21 ZINC000827913752 677725017 /nfs/dbraw/zinc/72/50/17/677725017.db2.gz KQJFJFZKBQDMJU-MRXNPFEDSA-N 0 3 287.407 1.813 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c([O-])c1 ZINC000827812219 677846862 /nfs/dbraw/zinc/84/68/62/677846862.db2.gz GGCSMRUWLPKHKQ-HAQNSBGRSA-N 0 3 279.336 1.832 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775130600 678010288 /nfs/dbraw/zinc/01/02/88/678010288.db2.gz MQBKHMUXZRLLCG-CHWSQXEVSA-N 0 3 283.368 1.457 20 10 CDCDHN CSCC[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077710 678164342 /nfs/dbraw/zinc/16/43/42/678164342.db2.gz RUGPPKLUSRSKSA-LLVKDONJSA-N 0 3 253.371 1.312 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877046011 679689116 /nfs/dbraw/zinc/68/91/16/679689116.db2.gz GVTIDNZNDLBHEL-CQSZACIVSA-N 0 3 264.369 1.511 20 10 CDCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCCF)c1O ZINC000846168313 678176298 /nfs/dbraw/zinc/17/62/98/678176298.db2.gz RYIVIIWDWSDJKM-ZJUUUORDSA-N 0 3 284.331 1.526 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC000858546880 678198168 /nfs/dbraw/zinc/19/81/68/678198168.db2.gz AWPPLYQJYSUFIW-CHWSQXEVSA-N 0 3 262.353 1.036 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835075360 678426941 /nfs/dbraw/zinc/42/69/41/678426941.db2.gz WYPBBWJKZIGYIW-GXTWGEPZSA-N 0 3 290.363 1.644 20 10 CDCDHN Oc1cc2c(cc1CN1C[C@H]3[C@@H](C1)C3(F)F)[C@H](O)CO2 ZINC000844758562 678465335 /nfs/dbraw/zinc/46/53/35/678465335.db2.gz TXADFAZTCOLBQR-JFGNBEQYSA-N 0 3 283.274 1.515 20 10 CDCDHN COC[C@]1(C(=O)N(C)Cc2ccccc2O)CCCCN1 ZINC000876606161 678702858 /nfs/dbraw/zinc/70/28/58/678702858.db2.gz WGJOBORZXDAJPX-INIZCTEOSA-N 0 3 292.379 1.509 20 10 CDCDHN O=C1OCCN1[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000827000845 678782042 /nfs/dbraw/zinc/78/20/42/678782042.db2.gz PUSCQWLMQCLYJJ-LBPRGKRZSA-N 0 3 280.299 1.558 20 10 CDCDHN O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827000845 678782046 /nfs/dbraw/zinc/78/20/46/678782046.db2.gz PUSCQWLMQCLYJJ-LBPRGKRZSA-N 0 3 280.299 1.558 20 10 CDCDHN O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827000845 678782049 /nfs/dbraw/zinc/78/20/49/678782049.db2.gz PUSCQWLMQCLYJJ-LBPRGKRZSA-N 0 3 280.299 1.558 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(OC)CC1 ZINC000835076841 678809950 /nfs/dbraw/zinc/80/99/50/678809950.db2.gz WPPCLIXPZJMXBX-UHFFFAOYSA-N 0 3 280.368 1.858 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C1CCN(OC)CC1 ZINC000835076841 678809953 /nfs/dbraw/zinc/80/99/53/678809953.db2.gz WPPCLIXPZJMXBX-UHFFFAOYSA-N 0 3 280.368 1.858 20 10 CDCDHN Cc1cc(O)c(CN2CCN([C@H]3CCOC3)CC2)cc1C ZINC000853550837 678863383 /nfs/dbraw/zinc/86/33/83/678863383.db2.gz MPWAVSPGDFRBLD-INIZCTEOSA-N 0 3 290.407 1.916 20 10 CDCDHN C[C@H](NCC1([NH3+])CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964651 678873576 /nfs/dbraw/zinc/87/35/76/678873576.db2.gz HDARHYOMCNUXMS-VIFPVBQESA-N 0 3 265.313 1.832 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893772 678928309 /nfs/dbraw/zinc/92/83/09/678928309.db2.gz IZPWJIFTIOHBET-JTQLQIEISA-N 0 3 286.322 1.830 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)c([O-])c1 ZINC000842752477 678937949 /nfs/dbraw/zinc/93/79/49/678937949.db2.gz MXJLTXVHRNTARG-TZMCWYRMSA-N 0 3 267.325 1.294 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846109913 678948897 /nfs/dbraw/zinc/94/88/97/678948897.db2.gz KNSTYFUCPSGNOW-CQSZACIVSA-N 0 3 251.326 1.413 20 10 CDCDHN CN(C(=O)c1cccc2c1CCNC2)c1cn[nH]c1 ZINC000852872864 678949257 /nfs/dbraw/zinc/94/92/57/678949257.db2.gz SMAUCIQDKGUPGG-UHFFFAOYSA-N 0 3 256.309 1.332 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000827549230 678961852 /nfs/dbraw/zinc/96/18/52/678961852.db2.gz FCZFQRZRYMLDOC-OAHLLOKOSA-N 0 3 294.370 1.874 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702193 679033897 /nfs/dbraw/zinc/03/38/97/679033897.db2.gz GGRBYYJHYJWBIK-ONGXEEELSA-N 0 3 295.339 1.621 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC1(O)CCOCC1 ZINC000796465030 679094246 /nfs/dbraw/zinc/09/42/46/679094246.db2.gz DOTGUUXZSGEZCA-UHFFFAOYSA-N 0 3 281.352 1.422 20 10 CDCDHN CCOc1ccc(CN(CC)[C@H]2CCNC2=O)c(O)c1 ZINC000799737394 679136537 /nfs/dbraw/zinc/13/65/37/679136537.db2.gz CXSPTUWDMFUAIU-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN C=Cn1cc(CNCc2cccc(OC)c2O)cn1 ZINC000809740469 679144443 /nfs/dbraw/zinc/14/44/43/679144443.db2.gz ZSMDZEGXRYFKOJ-UHFFFAOYSA-N 0 3 259.309 1.988 20 10 CDCDHN C[C@@H](NC1C[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817956266 679156201 /nfs/dbraw/zinc/15/62/01/679156201.db2.gz VFLWVCGPNPSDQO-SSDOTTSWSA-N 0 3 271.158 1.777 20 10 CDCDHN COCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097780 679179490 /nfs/dbraw/zinc/17/94/90/679179490.db2.gz SENPMKXGUHEPAS-AWEZNQCLSA-N 0 3 279.384 1.118 20 10 CDCDHN COC(=O)CC1CC([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000822476767 679181396 /nfs/dbraw/zinc/18/13/96/679181396.db2.gz VYDFLDNBBWKPPU-UHFFFAOYSA-N 0 3 279.336 1.832 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000877629560 679188880 /nfs/dbraw/zinc/18/88/80/679188880.db2.gz VRHYTCKAYJNADX-GXTWGEPZSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000877629560 679188884 /nfs/dbraw/zinc/18/88/84/679188884.db2.gz VRHYTCKAYJNADX-GXTWGEPZSA-N 0 3 274.364 1.801 20 10 CDCDHN COc1cc(O)c(CN(C)C[C@@H]2COCCO2)cc1OC ZINC000853557561 679381586 /nfs/dbraw/zinc/38/15/86/679381586.db2.gz MCFXJVIRMYRWDQ-GFCCVEGCSA-N 0 3 297.351 1.257 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@]1(CO)CCOC1 ZINC000862426265 679429769 /nfs/dbraw/zinc/42/97/69/679429769.db2.gz BYPDJZKTECXBPB-ZDUSSCGKSA-N 0 3 255.289 1.115 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@]1(CO)CCOC1 ZINC000862426265 679429770 /nfs/dbraw/zinc/42/97/70/679429770.db2.gz BYPDJZKTECXBPB-ZDUSSCGKSA-N 0 3 255.289 1.115 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877055635 1165966729 /nfs/dbraw/zinc/96/67/29/1165966729.db2.gz DHNCVCJAOAIHGH-CYBMUJFWSA-N 0 3 255.383 1.904 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000134143358 1175813058 /nfs/dbraw/zinc/81/30/58/1175813058.db2.gz PFPAZQWDXLORMQ-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000134143358 1175813062 /nfs/dbraw/zinc/81/30/62/1175813062.db2.gz PFPAZQWDXLORMQ-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN CC(C)OC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252679945 1164985791 /nfs/dbraw/zinc/98/57/91/1164985791.db2.gz JHBQADIMKBFQRJ-ZDUSSCGKSA-N 0 3 265.353 1.536 20 10 CDCDHN CC(C)OC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252679945 1164985797 /nfs/dbraw/zinc/98/57/97/1164985797.db2.gz JHBQADIMKBFQRJ-ZDUSSCGKSA-N 0 3 265.353 1.536 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206433136 916654142 /nfs/dbraw/zinc/65/41/42/916654142.db2.gz DFDZCVWRVPLGSF-UWVGGRQHSA-N 0 3 288.750 1.925 20 10 CDCDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137835270 936418680 /nfs/dbraw/zinc/41/86/80/936418680.db2.gz AZCKRXAPNOATJM-BLLLJJGKSA-N 0 3 294.370 1.684 20 10 CDCDHN CC[N@H+]1CCO[C@@H]2CN(Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137835270 936418684 /nfs/dbraw/zinc/41/86/84/936418684.db2.gz AZCKRXAPNOATJM-BLLLJJGKSA-N 0 3 294.370 1.684 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001183991890 918820298 /nfs/dbraw/zinc/82/02/98/918820298.db2.gz OJZKQSPUYLWEIW-HZMBPMFUSA-N 0 3 251.326 1.522 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001183991890 918820305 /nfs/dbraw/zinc/82/03/05/918820305.db2.gz OJZKQSPUYLWEIW-HZMBPMFUSA-N 0 3 251.326 1.522 20 10 CDCDHN COc1cccc(CN2CC[C@H](F)[C@H](O)C2)c1O ZINC001203586119 919064293 /nfs/dbraw/zinc/06/42/93/919064293.db2.gz YOIRGMUNUHLQDX-WDEREUQCSA-N 0 3 255.289 1.306 20 10 CDCDHN Cc1c(O)ccc(CN2CCO[C@H](CN(C)C)C2)c1O ZINC001140744067 936748574 /nfs/dbraw/zinc/74/85/74/936748574.db2.gz KNGYOQAKULKYPQ-CYBMUJFWSA-N 0 3 280.368 1.169 20 10 CDCDHN CN1CC2(C1)CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141146232 936820285 /nfs/dbraw/zinc/82/02/85/936820285.db2.gz PHVQWZXZZDIPHD-UHFFFAOYSA-N 0 3 273.380 1.263 20 10 CDCDHN O=C1CC[C@]2(CCCN(Cc3cc(O)ccc3O)C2)O1 ZINC001141162287 936823197 /nfs/dbraw/zinc/82/31/97/936823197.db2.gz NXRIXDDXGGPBBK-HNNXBMFYSA-N 0 3 277.320 1.769 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001120269341 925703570 /nfs/dbraw/zinc/70/35/70/925703570.db2.gz QEERJKOBGSJKPD-STQMWFEESA-N 0 3 263.385 1.156 20 10 CDCDHN CC(=O)N1CCC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC001169586195 928238947 /nfs/dbraw/zinc/23/89/47/928238947.db2.gz URNSBQVXNXDUJE-LBPRGKRZSA-N 0 3 264.325 1.198 20 10 CDCDHN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC001148225065 932673278 /nfs/dbraw/zinc/67/32/78/932673278.db2.gz CUYGALHDZJLCNT-YPMHNXCESA-N 0 3 292.379 1.946 20 10 CDCDHN CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC001148225065 932673284 /nfs/dbraw/zinc/67/32/84/932673284.db2.gz CUYGALHDZJLCNT-YPMHNXCESA-N 0 3 292.379 1.946 20 10 CDCDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264620 937916582 /nfs/dbraw/zinc/91/65/82/937916582.db2.gz TWLHJYZSFZWDSX-SDDRHHMPSA-N 0 3 261.369 1.409 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254725 945214317 /nfs/dbraw/zinc/21/43/17/945214317.db2.gz FMWBKHVKESZQDS-IAQYHMDHSA-N 0 3 278.327 1.441 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254725 945214323 /nfs/dbraw/zinc/21/43/23/945214323.db2.gz FMWBKHVKESZQDS-IAQYHMDHSA-N 0 3 278.327 1.441 20 10 CDCDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203883229 939711462 /nfs/dbraw/zinc/71/14/62/939711462.db2.gz GLEMCEVGHVCHIX-AWEZNQCLSA-N 0 3 265.309 1.483 20 10 CDCDHN O=C1NCCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203882405 939711677 /nfs/dbraw/zinc/71/16/77/939711677.db2.gz IJCVGHYYQIEUNT-UHFFFAOYSA-N 0 3 290.363 1.590 20 10 CDCDHN C[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1[NH3+] ZINC001206070792 939974453 /nfs/dbraw/zinc/97/44/53/939974453.db2.gz RWNKAJPLTYOJFX-GMSGAONNSA-N 0 3 256.733 1.530 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197983 939996293 /nfs/dbraw/zinc/99/62/93/939996293.db2.gz KPSHHVIZFFWHEM-ONGXEEELSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197983 939996294 /nfs/dbraw/zinc/99/62/94/939996294.db2.gz KPSHHVIZFFWHEM-ONGXEEELSA-N 0 3 274.286 1.932 20 10 CDCDHN Cc1cccc(O)c1CN1CCC(F)(F)[C@H](N)C1 ZINC001206704446 940080494 /nfs/dbraw/zinc/08/04/94/940080494.db2.gz SXHZRNSWXJOCMX-GFCCVEGCSA-N 0 3 256.296 1.869 20 10 CDCDHN CCCC(C[NH3+])(CCC)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001221375277 941525142 /nfs/dbraw/zinc/52/51/42/941525142.db2.gz PLMIWLVWCIRMCE-UHFFFAOYSA-N 0 3 296.367 1.831 20 10 CDCDHN O=C(NCC(F)F)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277442636 942580755 /nfs/dbraw/zinc/58/07/55/942580755.db2.gz YHUUHXVHORDEDI-UHFFFAOYSA-N 0 3 296.317 1.786 20 10 CDCDHN Cc1cc(C)c(CN2CCN(CCCO)CC2)c(O)c1 ZINC001231841406 943023572 /nfs/dbraw/zinc/02/35/72/943023572.db2.gz ASSSYFBXRXEVRE-UHFFFAOYSA-N 0 3 278.396 1.509 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001237043861 944643629 /nfs/dbraw/zinc/64/36/29/944643629.db2.gz JVKYNYIGLZQCLB-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001237043861 944643621 /nfs/dbraw/zinc/64/36/21/944643621.db2.gz JVKYNYIGLZQCLB-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc(CN(C)[C@H]2CCOC2)c(O)c(OC)c1 ZINC001237675221 944919883 /nfs/dbraw/zinc/91/98/83/944919883.db2.gz CBIWWPCSRQCIMW-NSHDSACASA-N 0 3 267.325 1.630 20 10 CDCDHN CCCCOC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252516972 951400495 /nfs/dbraw/zinc/40/04/95/951400495.db2.gz WJVNOZAIBYHPQW-AWEZNQCLSA-N 0 3 279.380 1.928 20 10 CDCDHN CCCCOC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252516972 951400506 /nfs/dbraw/zinc/40/05/06/951400506.db2.gz WJVNOZAIBYHPQW-AWEZNQCLSA-N 0 3 279.380 1.928 20 10 CDCDHN C[C@H](C[S@@](C)=O)NCc1ccc(N(C)C)c(F)c1 ZINC001308369079 956523582 /nfs/dbraw/zinc/52/35/82/956523582.db2.gz GZFLEISUYVQNNW-MLCYQJTMSA-N 0 3 272.389 1.748 20 10 CDCDHN C[C@@H](C[S@](C)=O)NCc1ccc(N(C)C)c(F)c1 ZINC001308369082 956524196 /nfs/dbraw/zinc/52/41/96/956524196.db2.gz GZFLEISUYVQNNW-YPMLDQLKSA-N 0 3 272.389 1.748 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CF)C1)[C@H](O)CO2 ZINC001331021325 956768072 /nfs/dbraw/zinc/76/80/72/956768072.db2.gz JOUYLQPDQUXARO-QMTHXVAHSA-N 0 3 281.327 2.000 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CF)C1)[C@H](O)CO2 ZINC001331021325 956768078 /nfs/dbraw/zinc/76/80/78/956768078.db2.gz JOUYLQPDQUXARO-QMTHXVAHSA-N 0 3 281.327 2.000 20 10 CDCDHN CN1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC001341266268 963343165 /nfs/dbraw/zinc/34/31/65/963343165.db2.gz UHQAMVQLRZRSMV-ZDUSSCGKSA-N 0 3 277.368 1.676 20 10 CDCDHN CCOc1ccc(N2CCN(CC[C@@H](C)O)CC2)cc1 ZINC001347097968 965370737 /nfs/dbraw/zinc/37/07/37/965370737.db2.gz NEVDPICRIMEVJN-CQSZACIVSA-N 0 3 278.396 1.978 20 10 CDCDHN CC(C)(C)[C@H]([NH3+])CC(=O)NCc1c([O-])cccc1F ZINC001522792569 970559343 /nfs/dbraw/zinc/55/93/43/970559343.db2.gz YLDHQNGEEDHXRB-GFCCVEGCSA-N 0 3 268.332 1.911 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000205816219 342508666 /nfs/dbraw/zinc/50/86/66/342508666.db2.gz GJVNZJGUCKRCAL-LBPRGKRZSA-N 0 3 253.342 1.897 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000297773037 282119038 /nfs/dbraw/zinc/11/90/38/282119038.db2.gz PFNUWXVWUBWUCQ-STQMWFEESA-N 0 3 284.363 1.884 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000036794787 356884188 /nfs/dbraw/zinc/88/41/88/356884188.db2.gz SYKQWUHCGZPJKY-PWSUYJOCSA-N 0 3 250.342 1.958 20 10 CDCDHN COc1ccc(O)c(CN(C)CCN2CCOCC2)c1 ZINC000180023535 357236856 /nfs/dbraw/zinc/23/68/56/357236856.db2.gz FUFKJJMLDIZPLS-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180219488 357252195 /nfs/dbraw/zinc/25/21/95/357252195.db2.gz MHZMQPBLDSWFMU-NSHDSACASA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180219488 357252198 /nfs/dbraw/zinc/25/21/98/357252198.db2.gz MHZMQPBLDSWFMU-NSHDSACASA-N 0 3 278.352 1.359 20 10 CDCDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000191958431 358164547 /nfs/dbraw/zinc/16/45/47/358164547.db2.gz DCGHWNDLZBSEBC-HNNXBMFYSA-N 0 3 279.336 1.858 20 10 CDCDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000191958431 358164548 /nfs/dbraw/zinc/16/45/48/358164548.db2.gz DCGHWNDLZBSEBC-HNNXBMFYSA-N 0 3 279.336 1.858 20 10 CDCDHN Cc1cc(CN2CCN(C[C@H](C)O)CC2)ccc1N(C)C ZINC000294726472 199154031 /nfs/dbraw/zinc/15/40/31/199154031.db2.gz VZOXWFSJOAEDGV-HNNXBMFYSA-N 0 3 291.439 1.559 20 10 CDCDHN COc1cccc(CN2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538651 358552818 /nfs/dbraw/zinc/55/28/18/358552818.db2.gz QLABUQLGSSPOLI-UHFFFAOYSA-N 0 3 292.379 1.844 20 10 CDCDHN CCS(=O)(=O)CCNCc1cc(C)ccc1O ZINC000113334970 359394310 /nfs/dbraw/zinc/39/43/10/359394310.db2.gz XSURNJSNVUGLEG-UHFFFAOYSA-N 0 3 257.355 1.225 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000113339464 359394525 /nfs/dbraw/zinc/39/45/25/359394525.db2.gz LXGUQINMKCPYBH-LBPRGKRZSA-N 0 3 297.830 1.771 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271105172 364925035 /nfs/dbraw/zinc/92/50/35/364925035.db2.gz REUSEKUPOFKBEC-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271105172 364925042 /nfs/dbraw/zinc/92/50/42/364925042.db2.gz REUSEKUPOFKBEC-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180681616 365013568 /nfs/dbraw/zinc/01/35/68/365013568.db2.gz AEXUKRCSIPDYOM-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180681616 365013571 /nfs/dbraw/zinc/01/35/71/365013571.db2.gz AEXUKRCSIPDYOM-JTQLQIEISA-N 0 3 266.341 1.215 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272559710 365294251 /nfs/dbraw/zinc/29/42/51/365294251.db2.gz SXBRBXPLXZECGC-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272559710 365294257 /nfs/dbraw/zinc/29/42/57/365294257.db2.gz SXBRBXPLXZECGC-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000273467815 365499569 /nfs/dbraw/zinc/49/95/69/365499569.db2.gz JEQJOVQUUZZACC-BONVTDFDSA-N 0 3 283.343 1.969 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000281598990 367661750 /nfs/dbraw/zinc/66/17/50/367661750.db2.gz MANQKYPXSJEWQQ-GXSJLCMTSA-N 0 3 257.305 1.579 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000120950045 374616299 /nfs/dbraw/zinc/61/62/99/374616299.db2.gz YACPHBAIQHBLPW-KRWDZBQOSA-N 0 3 289.423 1.659 20 10 CDCDHN CCOc1cccc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000133138506 390935002 /nfs/dbraw/zinc/93/50/02/390935002.db2.gz QCIDJUBKEDXICC-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c([O-])c1O ZINC000177673558 391174004 /nfs/dbraw/zinc/17/40/04/391174004.db2.gz FZIGQDDAFATRLJ-LLVKDONJSA-N 0 3 292.379 1.868 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000124718548 391224118 /nfs/dbraw/zinc/22/41/18/391224118.db2.gz BAWJKZCPZYQMDU-GFCCVEGCSA-N 0 3 262.353 1.801 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c([O-])c1O ZINC000179444350 391205563 /nfs/dbraw/zinc/20/55/63/391205563.db2.gz ZEUPIUKAVOUIQQ-LLVKDONJSA-N 0 3 290.363 1.620 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c([O-])c1O ZINC000179444350 391205564 /nfs/dbraw/zinc/20/55/64/391205564.db2.gz ZEUPIUKAVOUIQQ-LLVKDONJSA-N 0 3 290.363 1.620 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183516275 391266175 /nfs/dbraw/zinc/26/61/75/391266175.db2.gz ABVFVJWWPODVMB-RISCZKNCSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1cc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000195008108 391373802 /nfs/dbraw/zinc/37/38/02/391373802.db2.gz FLIXLCBREGRFPI-LKFCYVNXSA-N 0 3 294.351 1.024 20 10 CDCDHN Oc1ccc(F)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000361049749 391678949 /nfs/dbraw/zinc/67/89/49/391678949.db2.gz DNSXRQXSIVLANF-HOCLYGCPSA-N 0 3 294.370 1.562 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000038044057 174051744 /nfs/dbraw/zinc/05/17/44/174051744.db2.gz HEVXQJRPADQNJI-LLVKDONJSA-N 0 3 251.326 1.917 20 10 CDCDHN CCn1cc(CNCc2cccc(OC)c2O)cn1 ZINC000020352701 262245438 /nfs/dbraw/zinc/24/54/38/262245438.db2.gz OTANWAQOLVDZKO-UHFFFAOYSA-N 0 3 261.325 1.907 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297806986 278191985 /nfs/dbraw/zinc/19/19/85/278191985.db2.gz QQBMDQKQEBRXLS-UKRRQHHQSA-N 0 3 289.423 1.605 20 10 CDCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)OCCO ZINC000297480658 278622891 /nfs/dbraw/zinc/62/28/91/278622891.db2.gz ZGVRLKRGFGAPET-LBPRGKRZSA-N 0 3 265.353 1.757 20 10 CDCDHN CCC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000236910108 278866445 /nfs/dbraw/zinc/86/64/45/278866445.db2.gz ARULXXNSZWQLKP-GFCCVEGCSA-N 0 3 277.368 1.605 20 10 CDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000158028765 281216962 /nfs/dbraw/zinc/21/69/62/281216962.db2.gz BSJOSJSVJMNEJU-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000158028765 281216964 /nfs/dbraw/zinc/21/69/64/281216964.db2.gz BSJOSJSVJMNEJU-OAHLLOKOSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002576 329264493 /nfs/dbraw/zinc/26/44/93/329264493.db2.gz FWRIRLDZRFLZDE-LBPRGKRZSA-N 0 3 292.379 1.633 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(F)ccc1[O-] ZINC000228059102 333293792 /nfs/dbraw/zinc/29/37/92/333293792.db2.gz JCHNBXYDTOJYLR-IMSIIYSGSA-N 0 3 269.316 1.722 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H]1CCCO1 ZINC000279377752 522748755 /nfs/dbraw/zinc/74/87/55/522748755.db2.gz IOVXOPOKPMTJDT-ZFWWWQNUSA-N 0 3 281.352 1.684 20 10 CDCDHN COC[C@H](NCc1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000279377752 522748759 /nfs/dbraw/zinc/74/87/59/522748759.db2.gz IOVXOPOKPMTJDT-ZFWWWQNUSA-N 0 3 281.352 1.684 20 10 CDCDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000036999063 524601888 /nfs/dbraw/zinc/60/18/88/524601888.db2.gz MMYPBESJYUENAF-ZDUSSCGKSA-N 0 3 275.396 1.802 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H](OC)C2CC2)c1[O-] ZINC000292946503 526020242 /nfs/dbraw/zinc/02/02/42/526020242.db2.gz IIGVDYMIDDBWAC-CYBMUJFWSA-N 0 3 251.326 1.915 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCCn1cncn1 ZINC000725844905 574443691 /nfs/dbraw/zinc/44/36/91/574443691.db2.gz AUCPSTFCOLCIPN-UHFFFAOYSA-N 0 3 262.313 1.172 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840889637 679850578 /nfs/dbraw/zinc/85/05/78/679850578.db2.gz SYXUVNDZHJBOPG-LBPRGKRZSA-N 0 3 283.393 1.794 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000769505794 575353895 /nfs/dbraw/zinc/35/38/95/575353895.db2.gz NVQBYOQYNYCKSR-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769505794 575353897 /nfs/dbraw/zinc/35/38/97/575353897.db2.gz NVQBYOQYNYCKSR-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN CCN(C)c1ccc(CN2CCNC(=O)C[C@H]2C)cc1 ZINC000773811892 575839324 /nfs/dbraw/zinc/83/93/24/575839324.db2.gz DJHWXAGGUBDSDY-CYBMUJFWSA-N 0 3 275.396 1.853 20 10 CDCDHN COc1cccc(O)c1CN(C)CCn1cccn1 ZINC000769403430 576352340 /nfs/dbraw/zinc/35/23/40/576352340.db2.gz HWXUASZGKUYXFV-UHFFFAOYSA-N 0 3 261.325 1.729 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000761205457 576559170 /nfs/dbraw/zinc/55/91/70/576559170.db2.gz DUBRPZHXGJALDH-LLVKDONJSA-N 0 3 271.744 1.915 20 10 CDCDHN COc1cccc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000761220773 576560886 /nfs/dbraw/zinc/56/08/86/576560886.db2.gz XOPKGDXHQJVKEO-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000761220773 576560888 /nfs/dbraw/zinc/56/08/88/576560888.db2.gz XOPKGDXHQJVKEO-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000745789838 576742390 /nfs/dbraw/zinc/74/23/90/576742390.db2.gz QOLUOUHVCGKPDW-DGCLKSJQSA-N 0 3 277.368 1.674 20 10 CDCDHN CN(C)c1ccc(CNC(=O)CNC2(C3CC3)CC2)cc1 ZINC000754358360 576893041 /nfs/dbraw/zinc/89/30/41/576893041.db2.gz KIMUYLRSULRGAZ-UHFFFAOYSA-N 0 3 287.407 1.901 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)CC1CC1)OCO2 ZINC000754835034 576917938 /nfs/dbraw/zinc/91/79/38/576917938.db2.gz RMOFYTHNFDMFIN-NSHDSACASA-N 0 3 265.309 1.372 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000756554882 576995468 /nfs/dbraw/zinc/99/54/68/576995468.db2.gz JVKLLICYMFTDSO-KOLCDFICSA-N 0 3 272.776 1.619 20 10 CDCDHN CC1(C)OCC([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000758012264 577067479 /nfs/dbraw/zinc/06/74/79/577067479.db2.gz ONTDHYMTEMJADN-UHFFFAOYSA-N 0 3 255.289 1.772 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893320782 617567919 /nfs/dbraw/zinc/56/79/19/617567919.db2.gz QZGVCPPZCJCYBW-SECBINFHSA-N 0 3 282.340 1.024 20 10 CDCDHN COc1cc(C)cc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000893984983 618237601 /nfs/dbraw/zinc/23/76/01/618237601.db2.gz WFGVNGZAQCJILI-CYBMUJFWSA-N 0 3 292.379 1.810 20 10 CDCDHN COc1cccc(CNCc2c3c(nn2C)CCC3)c1O ZINC000894458224 618895931 /nfs/dbraw/zinc/89/59/31/618895931.db2.gz OEWBDSKHXBANIK-UHFFFAOYSA-N 0 3 287.363 1.913 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(OC)c(OC)c1O ZINC000894774311 619048967 /nfs/dbraw/zinc/04/89/67/619048967.db2.gz RHPDIZPYGFZHDW-DGCLKSJQSA-N 0 3 297.351 1.303 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c([O-])c1 ZINC000895317881 619549750 /nfs/dbraw/zinc/54/97/50/619549750.db2.gz QBHALQSAJWOMTL-CYBMUJFWSA-N 0 3 278.352 1.405 20 10 CDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000896124294 619996488 /nfs/dbraw/zinc/99/64/88/619996488.db2.gz ILFUROBPFHRMBE-SKDRFNHKSA-N 0 3 267.300 1.963 20 10 CDCDHN CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)N(C)C ZINC000910950147 629115006 /nfs/dbraw/zinc/11/50/06/629115006.db2.gz DCYQIMRNWRSDRX-ZDUSSCGKSA-N 0 3 266.341 1.300 20 10 CDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717629 630609559 /nfs/dbraw/zinc/60/95/59/630609559.db2.gz LBLPPLDHCHOFCT-CJNGLKHVSA-N 0 3 292.379 1.541 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617131 679738575 /nfs/dbraw/zinc/73/85/75/679738575.db2.gz KTXIUPQKZAYRGY-RKDXNWHRSA-N 0 3 254.305 1.707 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000866421216 679791481 /nfs/dbraw/zinc/79/14/81/679791481.db2.gz XQWMCYULRDQGQX-FXAINCCUSA-N 0 3 271.744 1.764 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000840826347 679801824 /nfs/dbraw/zinc/80/18/24/679801824.db2.gz UMUFMVKPVPWGIM-NXEZZACHSA-N 0 3 266.316 1.708 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000792189033 679813449 /nfs/dbraw/zinc/81/34/49/679813449.db2.gz ZYRMPYNURLHIEK-GFCCVEGCSA-N 0 3 290.363 1.598 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000792189033 679813450 /nfs/dbraw/zinc/81/34/50/679813450.db2.gz ZYRMPYNURLHIEK-GFCCVEGCSA-N 0 3 290.363 1.598 20 10 CDCDHN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(O)c1O ZINC000126355560 679821288 /nfs/dbraw/zinc/82/12/88/679821288.db2.gz CJQAPTMHQFCQAH-VIFPVBQESA-N 0 3 262.309 1.064 20 10 CDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000827500703 679850353 /nfs/dbraw/zinc/85/03/53/679850353.db2.gz IBRNUAVJZZWFDD-AOOOYVTPSA-N 0 3 265.309 1.442 20 10 CDCDHN COC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000827933716 679865158 /nfs/dbraw/zinc/86/51/58/679865158.db2.gz CVCLVYQIDJQSGP-UHFFFAOYSA-N 0 3 264.325 1.713 20 10 CDCDHN C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[O-] ZINC000876996137 681246657 /nfs/dbraw/zinc/24/66/57/681246657.db2.gz PSABIGXHDPULCW-YPMHNXCESA-N 0 3 262.353 1.929 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@H](N)CC3CC3)ccc21 ZINC000884205068 681602267 /nfs/dbraw/zinc/60/22/67/681602267.db2.gz LKYPMGQABXEVIK-OAHLLOKOSA-N 0 3 287.407 1.813 20 10 CDCDHN C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1[O-] ZINC000879648392 681604952 /nfs/dbraw/zinc/60/49/52/681604952.db2.gz MQQUTUYYKKHTGX-SNVBAGLBSA-N 0 3 276.296 1.848 20 10 CDCDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000790726978 681789644 /nfs/dbraw/zinc/78/96/44/681789644.db2.gz NHMZFBFWJQZDMI-NSHDSACASA-N 0 3 278.352 1.702 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000840826349 681980345 /nfs/dbraw/zinc/98/03/45/681980345.db2.gz UMUFMVKPVPWGIM-VHSXEESVSA-N 0 3 266.316 1.708 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229901 681981684 /nfs/dbraw/zinc/98/16/84/681981684.db2.gz XNRJZFOBIMKMAK-NEPJUHHUSA-N 0 3 281.352 1.420 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1cncn1)CC2 ZINC000381701045 682081119 /nfs/dbraw/zinc/08/11/19/682081119.db2.gz OUSQLOQSEGBIHB-LBPRGKRZSA-N 0 3 258.325 1.651 20 10 CDCDHN CONC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000877786722 682389331 /nfs/dbraw/zinc/38/93/31/682389331.db2.gz VGIACQJUPGRYLC-UHFFFAOYSA-N 0 3 282.315 1.421 20 10 CDCDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180288217 682776940 /nfs/dbraw/zinc/77/69/40/682776940.db2.gz GKJAEWCJNCJWTO-LBPRGKRZSA-N 0 3 280.343 1.832 20 10 CDCDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180288217 682776961 /nfs/dbraw/zinc/77/69/61/682776961.db2.gz GKJAEWCJNCJWTO-LBPRGKRZSA-N 0 3 280.343 1.832 20 10 CDCDHN NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834906391 682831759 /nfs/dbraw/zinc/83/17/59/682831759.db2.gz DSQSEKYMPUGOCI-GRYCIOLGSA-N 0 3 260.337 1.623 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000305241774 682848536 /nfs/dbraw/zinc/84/85/36/682848536.db2.gz RQMUKXNBQPDZEM-AWEZNQCLSA-N 0 3 291.347 1.995 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000305241774 682848540 /nfs/dbraw/zinc/84/85/40/682848540.db2.gz RQMUKXNBQPDZEM-AWEZNQCLSA-N 0 3 291.347 1.995 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(F)ccc1[O-] ZINC000094617261 683136976 /nfs/dbraw/zinc/13/69/76/683136976.db2.gz NPTJOIUWQJREFA-JOYOIKCWSA-N 0 3 266.316 1.851 20 10 CDCDHN COC[C@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000781414763 683156437 /nfs/dbraw/zinc/15/64/37/683156437.db2.gz BRVXFQFYDIZUME-JTQLQIEISA-N 0 3 255.314 1.152 20 10 CDCDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989648 683271689 /nfs/dbraw/zinc/27/16/89/683271689.db2.gz UCXQBKHUOLFQJE-GFCCVEGCSA-N 0 3 292.379 1.963 20 10 CDCDHN COC[C@@H]1CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000816637265 683387353 /nfs/dbraw/zinc/38/73/53/683387353.db2.gz YIUHKLDPBHHFEQ-INIZCTEOSA-N 0 3 276.380 1.744 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817971488 683452577 /nfs/dbraw/zinc/45/25/77/683452577.db2.gz DOTVBHHCMJAQMB-BDAKNGLRSA-N 0 3 252.314 1.177 20 10 CDCDHN COc1cc(C)cc(CN(C)C[C@H]2COCCO2)c1O ZINC000853560878 683541043 /nfs/dbraw/zinc/54/10/43/683541043.db2.gz ZIKDWGYFIJPAJS-ZDUSSCGKSA-N 0 3 281.352 1.556 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c([O-])c1 ZINC000799348516 683644040 /nfs/dbraw/zinc/64/40/40/683644040.db2.gz FWZXSXKLVAFZME-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843052990 683710806 /nfs/dbraw/zinc/71/08/06/683710806.db2.gz SCMYAICDAHZKFM-SNVBAGLBSA-N 0 3 295.339 1.350 20 10 CDCDHN C[NH+](C)CC1(NC(=O)c2cc([O-])cs2)CCC1 ZINC000839754879 683744303 /nfs/dbraw/zinc/74/43/03/683744303.db2.gz XPIZQLCBAXNDFB-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CN(C)CC1(NC(=O)C2=CC(=O)CS2)CCC1 ZINC000839754879 683744313 /nfs/dbraw/zinc/74/43/13/683744313.db2.gz XPIZQLCBAXNDFB-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN Cc1ccc(O)c(CN(CCN(C)C)CC(=O)N(C)C)c1 ZINC000827159198 683798974 /nfs/dbraw/zinc/79/89/74/683798974.db2.gz ZJLDWWORKKJPBE-UHFFFAOYSA-N 0 3 293.411 1.152 20 10 CDCDHN CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650179 683869190 /nfs/dbraw/zinc/86/91/90/683869190.db2.gz NESVDIXMSJOMGR-RYUDHWBXSA-N 0 3 253.342 1.829 20 10 CDCDHN Cn1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000311803979 683871565 /nfs/dbraw/zinc/87/15/65/683871565.db2.gz BYEQOOXOJWFABF-CYBMUJFWSA-N 0 3 257.337 1.945 20 10 CDCDHN CN1CC[C@@](O)(C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000702602537 684003947 /nfs/dbraw/zinc/00/39/47/684003947.db2.gz IKCHQWSZJGTXDM-CYBMUJFWSA-N 0 3 270.760 1.202 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N)CCC2)c1 ZINC000817965449 684010406 /nfs/dbraw/zinc/01/04/06/684010406.db2.gz VAKOEXRRQACCOL-SNVBAGLBSA-N 0 3 278.352 1.711 20 10 CDCDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NCC1CC1 ZINC000393048834 684302662 /nfs/dbraw/zinc/30/26/62/684302662.db2.gz DWWDSZMNOALLHV-GFCCVEGCSA-N 0 3 260.337 1.495 20 10 CDCDHN COC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000211426053 1175783008 /nfs/dbraw/zinc/78/30/08/1175783008.db2.gz BINRXHMLYHWBHT-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000211426053 1175783011 /nfs/dbraw/zinc/78/30/11/1175783011.db2.gz BINRXHMLYHWBHT-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC001141032103 899347203 /nfs/dbraw/zinc/34/72/03/899347203.db2.gz SEGRUVIRUYZJJH-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC001141032103 899347210 /nfs/dbraw/zinc/34/72/10/899347210.db2.gz SEGRUVIRUYZJJH-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN [NH3+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001236174582 914736125 /nfs/dbraw/zinc/73/61/25/914736125.db2.gz XAGFGRAXEMIVSS-SNVBAGLBSA-N 0 3 260.259 1.944 20 10 CDCDHN Cc1cc([O-])c(C[N@H+](C)CCO)cc1Br ZINC001236255447 914824685 /nfs/dbraw/zinc/82/46/85/914824685.db2.gz FEHNEQLBIAOWQT-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+](C)CCO)cc1Br ZINC001236255447 914824704 /nfs/dbraw/zinc/82/47/04/914824704.db2.gz FEHNEQLBIAOWQT-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN Cc1cc(CN2CCc3nncn3CC2)ccc1N(C)C ZINC001139670088 936634586 /nfs/dbraw/zinc/63/45/86/936634586.db2.gz HAKGSUCCWSBVAW-UHFFFAOYSA-N 0 3 285.395 1.711 20 10 CDCDHN CN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1=O ZINC001140054830 936674517 /nfs/dbraw/zinc/67/45/17/936674517.db2.gz XWLQJTKXOTZVGJ-PWSUYJOCSA-N 0 3 264.300 1.051 20 10 CDCDHN CN1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1=O ZINC001140054830 936674518 /nfs/dbraw/zinc/67/45/18/936674518.db2.gz XWLQJTKXOTZVGJ-PWSUYJOCSA-N 0 3 264.300 1.051 20 10 CDCDHN C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462590 936712463 /nfs/dbraw/zinc/71/24/63/936712463.db2.gz IXTFGBFSLMAVMZ-ZDUSSCGKSA-N 0 3 284.787 1.808 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])c1 ZINC001140949678 936783452 /nfs/dbraw/zinc/78/34/52/936783452.db2.gz HXKHKZRWUQWDAY-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1ccc(CN2CCN(c3ccncn3)CC2)c(O)c1 ZINC001140957608 936784088 /nfs/dbraw/zinc/78/40/88/936784088.db2.gz DWUSIQDETGAVLU-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN COCCCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159999 936822552 /nfs/dbraw/zinc/82/25/52/936822552.db2.gz OTJLLILMYVWGNI-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000799163880 937379937 /nfs/dbraw/zinc/37/99/37/937379937.db2.gz OAMDSFCUXKIHLJ-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCO1 ZINC000799163880 937379939 /nfs/dbraw/zinc/37/99/39/937379939.db2.gz OAMDSFCUXKIHLJ-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN OC[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001204326376 939755713 /nfs/dbraw/zinc/75/57/13/939755713.db2.gz XQHCLLDHIAEJFK-DOTOQJQBSA-N 0 3 290.407 1.462 20 10 CDCDHN COc1cc(CN2CCCC[C@@](C)(O)C2)cc(O)c1O ZINC001204344196 939758717 /nfs/dbraw/zinc/75/87/17/939758717.db2.gz VYFLAPPWOCBASB-OAHLLOKOSA-N 0 3 281.352 1.843 20 10 CDCDHN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)CCN ZINC001239084360 945317014 /nfs/dbraw/zinc/31/70/14/945317014.db2.gz NFFSGJJJWBMBBD-UHFFFAOYSA-N 0 3 297.424 1.007 20 10 CDCDHN CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000400252925 940845536 /nfs/dbraw/zinc/84/55/36/940845536.db2.gz OSDPLLRAIWBGSC-RYUDHWBXSA-N 0 3 296.392 1.003 20 10 CDCDHN c1ccn(-c2ccc(-c3nnc([C@H]4CNCCN4)o3)cc2)c1 ZINC001217700561 941006359 /nfs/dbraw/zinc/00/63/59/941006359.db2.gz HYPXSAIBBSJCKY-CQSZACIVSA-N 0 3 295.346 1.761 20 10 CDCDHN Cc1cccc(CN2CCN(C3COC3)CC2)c1O ZINC001231590738 942938956 /nfs/dbraw/zinc/93/89/56/942938956.db2.gz GJAGMDNNEMEHHZ-UHFFFAOYSA-N 0 3 262.353 1.217 20 10 CDCDHN [NH3+][C@@]12C[C@@H]1CCN(Cc1c([O-])cccc1Cl)C2 ZINC001235159130 944074329 /nfs/dbraw/zinc/07/43/29/944074329.db2.gz QHHCLTGLKRCXQA-TVQRCGJNSA-N 0 3 252.745 1.969 20 10 CDCDHN COc1cc(O)c(CN2CC(C3COC3)C2)cc1OC ZINC001236749593 944555840 /nfs/dbraw/zinc/55/58/40/944555840.db2.gz HSGKFIWOPRVDER-UHFFFAOYSA-N 0 3 279.336 1.488 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001236826448 944584744 /nfs/dbraw/zinc/58/47/44/944584744.db2.gz JTZQWOQEKAMHSW-HZPDHXFCSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001236826448 944584751 /nfs/dbraw/zinc/58/47/51/944584751.db2.gz JTZQWOQEKAMHSW-HZPDHXFCSA-N 0 3 287.359 1.721 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001257028059 948485007 /nfs/dbraw/zinc/48/50/07/948485007.db2.gz QAEWKAHSRVLTHL-PWSUYJOCSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001249177852 949443321 /nfs/dbraw/zinc/44/33/21/949443321.db2.gz KJVSBGSUIZANOU-OAHLLOKOSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001249177852 949443331 /nfs/dbraw/zinc/44/33/31/949443331.db2.gz KJVSBGSUIZANOU-OAHLLOKOSA-N 0 3 279.336 1.064 20 10 CDCDHN Oc1ccc(CNC[C@@H](O)COCc2ccco2)cc1O ZINC001252657803 951545676 /nfs/dbraw/zinc/54/56/76/951545676.db2.gz XZTRROGOWFNYMU-GFCCVEGCSA-N 0 3 293.319 1.358 20 10 CDCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1[O-] ZINC001325720693 954045267 /nfs/dbraw/zinc/04/52/67/954045267.db2.gz GCIMOWXDJSXPOZ-IGYIBNOWSA-N 0 3 254.280 1.539 20 10 CDCDHN CN(C)c1ccc(C=CCNCc2n[nH]c(CO)n2)cc1 ZINC001308558757 956546483 /nfs/dbraw/zinc/54/64/83/956546483.db2.gz XLPUMBDCFGCVGY-ONEGZZNKSA-N 0 3 287.367 1.166 20 10 CDCDHN COC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC001331520471 957114345 /nfs/dbraw/zinc/11/43/45/957114345.db2.gz PWIYTLAJLVSLGX-SNVBAGLBSA-N 0 3 274.311 1.128 20 10 CDCDHN COc1cc(C)cc(CNCC(=O)NCC(C)C)c1O ZINC001334360108 959054088 /nfs/dbraw/zinc/05/40/88/959054088.db2.gz QUWQMTNIVXQNIB-UHFFFAOYSA-N 0 3 280.368 1.571 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001320915269 959455960 /nfs/dbraw/zinc/45/59/60/959455960.db2.gz CVZSHHJVIUCLNF-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001320915269 959455967 /nfs/dbraw/zinc/45/59/67/959455967.db2.gz CVZSHHJVIUCLNF-HNNXBMFYSA-N 0 3 263.337 1.748 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222554 994335353 /nfs/dbraw/zinc/33/53/53/994335353.db2.gz KYMDPROZUMLTJC-JBLDHEPKSA-N 0 3 278.352 1.868 20 10 CDCDHN CCOc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O ZINC000078639418 260168245 /nfs/dbraw/zinc/16/82/45/260168245.db2.gz XHXXZNAPXGRYNQ-SNVBAGLBSA-N 0 3 287.381 1.314 20 10 CDCDHN Cc1ccc(C[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000877536049 684611271 /nfs/dbraw/zinc/61/12/71/684611271.db2.gz WCGVYAFRFVMLBC-UHFFFAOYSA-N 0 3 253.342 1.578 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000187117571 357729859 /nfs/dbraw/zinc/72/98/59/357729859.db2.gz WBXLLJAOWLMLJW-LBPRGKRZSA-N 0 3 290.363 1.656 20 10 CDCDHN [O-]c1ccccc1C[NH+]1CCC(OCCO)CC1 ZINC000779034584 684839154 /nfs/dbraw/zinc/83/91/54/684839154.db2.gz YORZCZOAOZDRQJ-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN COCCO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000188829376 357941957 /nfs/dbraw/zinc/94/19/57/357941957.db2.gz NOQKWNATIRNZRJ-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000188829376 357941961 /nfs/dbraw/zinc/94/19/61/357941961.db2.gz NOQKWNATIRNZRJ-AWEZNQCLSA-N 0 3 265.353 1.938 20 10 CDCDHN CCOc1ccc(O)c(CN2CC[C@H](n3cncn3)C2)c1 ZINC000364503663 358435850 /nfs/dbraw/zinc/43/58/50/358435850.db2.gz ANVLDDBHHLKWNJ-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN CCOc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1 ZINC000092011933 358535056 /nfs/dbraw/zinc/53/50/56/358535056.db2.gz SSYIBAKMQRJQFX-UHFFFAOYSA-N 0 3 280.368 1.734 20 10 CDCDHN CCOc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000282498991 364126106 /nfs/dbraw/zinc/12/61/06/364126106.db2.gz WMABHIUHLJGSFV-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272820 364171609 /nfs/dbraw/zinc/17/16/09/364171609.db2.gz UJKLMLGARXONGB-ABAIWWIYSA-N 0 3 273.380 1.410 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C)CC2(C)C)c1 ZINC000271874402 365002278 /nfs/dbraw/zinc/00/22/78/365002278.db2.gz SRSOJTMICMIRSO-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1 ZINC000293885069 370841538 /nfs/dbraw/zinc/84/15/38/370841538.db2.gz VPQHRFMSVLOQLZ-GJZGRUSLSA-N 0 3 291.439 1.905 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530221050 368150549 /nfs/dbraw/zinc/15/05/49/368150549.db2.gz CDJXSGGXRRAGND-QWRGUYRKSA-N 0 3 266.341 1.040 20 10 CDCDHN CO[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000266603640 370915118 /nfs/dbraw/zinc/91/51/18/370915118.db2.gz FNUNQABFCZJLJW-CQSZACIVSA-N 0 3 267.325 1.882 20 10 CDCDHN COCCCN(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297710211 372014952 /nfs/dbraw/zinc/01/49/52/372014952.db2.gz MTLQTQHEWGYJBQ-CQSZACIVSA-N 0 3 278.396 1.937 20 10 CDCDHN Cc1c(/C=C\C(=O)N2C[C@H](N)Cc3ccccc32)cnn1C ZINC000493050836 253357050 /nfs/dbraw/zinc/35/70/50/253357050.db2.gz OYUCUAAARLWOOG-ZPIQOJFGSA-N 0 3 296.374 1.658 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297861585 285375435 /nfs/dbraw/zinc/37/54/35/285375435.db2.gz UCSSRLKKWUBTCM-NWDGAFQWSA-N 0 3 251.326 1.367 20 10 CDCDHN Cc1ccc(O)c(CN2CCCN(C(N)=O)CC2)c1 ZINC000092754298 390896583 /nfs/dbraw/zinc/89/65/83/390896583.db2.gz ZOWIPIGUESGCHM-UHFFFAOYSA-N 0 3 263.341 1.287 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)c(O)c1O ZINC000182504476 391236533 /nfs/dbraw/zinc/23/65/33/391236533.db2.gz WOYHNPZVSYDNMF-NSHDSACASA-N 0 3 278.352 1.572 20 10 CDCDHN CCN(CC)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183469595 391265975 /nfs/dbraw/zinc/26/59/75/391265975.db2.gz XERMDHLDOLOCKY-NSHDSACASA-N 0 3 280.368 1.487 20 10 CDCDHN Cc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000164756233 391289464 /nfs/dbraw/zinc/28/94/64/391289464.db2.gz QVKRTKZHAAWKGX-PIGZYNQJSA-N 0 3 255.383 1.947 20 10 CDCDHN COCCn1cc(CNCc2cccc(OC)c2O)cn1 ZINC000281918861 391426289 /nfs/dbraw/zinc/42/62/89/391426289.db2.gz GSNBJQMPAALRPQ-UHFFFAOYSA-N 0 3 291.351 1.534 20 10 CDCDHN COC[C@@H](CNCc1ccc2c(c1)CCO2)OC ZINC000227705565 392041252 /nfs/dbraw/zinc/04/12/52/392041252.db2.gz LSNOFGLMECVSFL-CYBMUJFWSA-N 0 3 251.326 1.373 20 10 CDCDHN O=S1(=O)CC[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000038052027 174063468 /nfs/dbraw/zinc/06/34/68/174063468.db2.gz ZPKWKQVOKTUZAY-LBPRGKRZSA-N 0 3 281.377 1.146 20 10 CDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1[O-] ZINC000155606323 261104667 /nfs/dbraw/zinc/10/46/67/261104667.db2.gz XQUBVBUUBWUDPD-GFCCVEGCSA-N 0 3 271.382 1.868 20 10 CDCDHN C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)ccc1[O-] ZINC000185003083 262036966 /nfs/dbraw/zinc/03/69/66/262036966.db2.gz QERKCRLFRCPZOQ-SNVBAGLBSA-N 0 3 296.342 1.464 20 10 CDCDHN CC(C)[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000186807757 262325151 /nfs/dbraw/zinc/32/51/51/262325151.db2.gz OAPQMHGOPWBBQX-UHFFFAOYSA-N 0 3 278.352 1.700 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276826888 263038302 /nfs/dbraw/zinc/03/83/02/263038302.db2.gz QCGRISUASALMBT-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276826888 263038303 /nfs/dbraw/zinc/03/83/03/263038303.db2.gz QCGRISUASALMBT-CQSZACIVSA-N 0 3 274.364 1.897 20 10 CDCDHN CCOc1cccc(C[N@H+](C)[C@@H](CC)CO)c1[O-] ZINC000295148176 276379711 /nfs/dbraw/zinc/37/97/11/276379711.db2.gz QTHOVJUIJZNAKD-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1cccc(C[N@@H+](C)[C@@H](CC)CO)c1[O-] ZINC000295148176 276379713 /nfs/dbraw/zinc/37/97/13/276379713.db2.gz QTHOVJUIJZNAKD-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN COc1ccc(CNC2(C(N)=O)CCCC2)cc1C ZINC000930001568 687192632 /nfs/dbraw/zinc/19/26/32/687192632.db2.gz VGMJJCDVNRALSC-UHFFFAOYSA-N 0 3 262.353 1.891 20 10 CDCDHN CN(C)c1ccc(CNC2(CO)CCC2)cc1F ZINC000268981741 328188123 /nfs/dbraw/zinc/18/81/23/328188123.db2.gz QZMDVHQJBLCDJA-UHFFFAOYSA-N 0 3 252.333 1.896 20 10 CDCDHN Nc1ccc(CC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000062973059 329356692 /nfs/dbraw/zinc/35/66/92/329356692.db2.gz FZEWDKANLDFEGF-HNNXBMFYSA-N 0 3 273.380 1.508 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCOCC(F)F)c1 ZINC000189009483 329374791 /nfs/dbraw/zinc/37/47/91/329374791.db2.gz ZNKXRXIRPFSWBK-UHFFFAOYSA-N 0 3 261.268 1.772 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228094431 333294913 /nfs/dbraw/zinc/29/49/13/333294913.db2.gz JRSQOWXFMCJNRA-QMTHXVAHSA-N 0 3 267.325 1.030 20 10 CDCDHN C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000230992701 333323385 /nfs/dbraw/zinc/32/33/85/333323385.db2.gz WSODAHIIQHVETJ-GFCCVEGCSA-N 0 3 299.440 1.295 20 10 CDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252667181 334384677 /nfs/dbraw/zinc/38/46/77/334384677.db2.gz GIANITUMOFASPP-KBPBESRZSA-N 0 3 296.798 1.998 20 10 CDCDHN COc1cccc(CN2CC[C@@H](NC(C)=O)C2)c1O ZINC000228357059 1161399342 /nfs/dbraw/zinc/39/93/42/1161399342.db2.gz LUFOLAQLIDFCAJ-GFCCVEGCSA-N 0 3 264.325 1.111 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCOCC(F)F)OCO2 ZINC000190889535 534448166 /nfs/dbraw/zinc/44/81/66/534448166.db2.gz FQDPAABQESLABF-UHFFFAOYSA-N 0 3 275.251 1.492 20 10 CDCDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000186820033 520175247 /nfs/dbraw/zinc/17/52/47/520175247.db2.gz JXFUMOKXAIBPNM-LBPRGKRZSA-N 0 3 263.385 1.882 20 10 CDCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000280619620 520474913 /nfs/dbraw/zinc/47/49/13/520474913.db2.gz ZRWILVBBGULNIN-ZDUSSCGKSA-N 0 3 265.309 1.324 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280346584 521366002 /nfs/dbraw/zinc/36/60/02/521366002.db2.gz RXVZSJPUMVPPRC-KBPBESRZSA-N 0 3 295.379 1.526 20 10 CDCDHN CN(C)c1ccc(CNC(CO)CO)c(C(F)(F)F)c1 ZINC000281033006 522205820 /nfs/dbraw/zinc/20/58/20/522205820.db2.gz YQPQNUSOVDYZTD-UHFFFAOYSA-N 0 3 292.301 1.214 20 10 CDCDHN COC[C@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000227706689 522680399 /nfs/dbraw/zinc/68/03/99/522680399.db2.gz PSUJEJKKDPIXHM-NSHDSACASA-N 0 3 255.314 1.152 20 10 CDCDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccccc2O)C1 ZINC000299500439 524224959 /nfs/dbraw/zinc/22/49/59/524224959.db2.gz LQAUSYOBSQYMEF-CYBMUJFWSA-N 0 3 291.395 1.923 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040775112 524753218 /nfs/dbraw/zinc/75/32/18/524753218.db2.gz QFUUEVHBSNTJBV-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000289491278 524762654 /nfs/dbraw/zinc/76/26/54/524762654.db2.gz RRHAJBXRENABLG-CYBMUJFWSA-N 0 3 294.395 1.774 20 10 CDCDHN COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289547877 525917553 /nfs/dbraw/zinc/91/75/53/525917553.db2.gz IJZMXGBZUFXMBH-VXGBXAGGSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289547877 525917565 /nfs/dbraw/zinc/91/75/65/525917565.db2.gz IJZMXGBZUFXMBH-VXGBXAGGSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000769935733 575398971 /nfs/dbraw/zinc/39/89/71/575398971.db2.gz QBRIHGARBJWXCF-LLVKDONJSA-N 0 3 294.351 1.721 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC[S@@](C)=O ZINC000735085302 575423783 /nfs/dbraw/zinc/42/37/83/575423783.db2.gz QAYPUJITPTVNHT-QGZVFWFLSA-N 0 3 257.355 1.259 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000768137298 576260455 /nfs/dbraw/zinc/26/04/55/576260455.db2.gz IXKYIWKZDZWNGG-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000768137298 576260456 /nfs/dbraw/zinc/26/04/56/576260456.db2.gz IXKYIWKZDZWNGG-NSHDSACASA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(CN2CCN(CCCCO)CC2)c1O ZINC000769394134 576351664 /nfs/dbraw/zinc/35/16/64/576351664.db2.gz IZKFZKZWFAHXLI-UHFFFAOYSA-N 0 3 294.395 1.291 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c([O-])c1C ZINC000762784851 576671418 /nfs/dbraw/zinc/67/14/18/576671418.db2.gz ALRURKXCGZFVJB-BBRMVZONSA-N 0 3 278.396 1.726 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000756490218 576991980 /nfs/dbraw/zinc/99/19/80/576991980.db2.gz MJUKKJRCWKYFPQ-CYBMUJFWSA-N 0 3 291.395 1.125 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000756758609 577003320 /nfs/dbraw/zinc/00/33/20/577003320.db2.gz INGXQHLLDKCYRM-PGUXBMHVSA-N 0 3 282.359 1.901 20 10 CDCDHN COc1ccc(CN2CCN(C)CC2(C)C)c(O)c1OC ZINC000892056371 617451346 /nfs/dbraw/zinc/45/13/46/617451346.db2.gz QWOPZZWPGOWCQZ-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN COc1ccc(CN2CCCOCC2)c(O)c1OC ZINC000891721442 617555367 /nfs/dbraw/zinc/55/53/67/617555367.db2.gz YEWJVKPMIYXILN-UHFFFAOYSA-N 0 3 267.325 1.632 20 10 CDCDHN CC[C@@H]1C(=O)NCCCN1Cc1ccc(C)cc1O ZINC000898547364 621788578 /nfs/dbraw/zinc/78/85/78/621788578.db2.gz GXTGMQDSXSVNJH-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000710363610 685361042 /nfs/dbraw/zinc/36/10/42/685361042.db2.gz GIBOKYVAYCZPOI-SNVBAGLBSA-N 0 3 278.352 1.700 20 10 CDCDHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000710363610 685361054 /nfs/dbraw/zinc/36/10/54/685361054.db2.gz GIBOKYVAYCZPOI-SNVBAGLBSA-N 0 3 278.352 1.700 20 10 CDCDHN CC(C)OC[C@H](CO)N(C)Cc1cc2c(cc1O)OCO2 ZINC000809768556 685616807 /nfs/dbraw/zinc/61/68/07/685616807.db2.gz OMUQAXCAKWQIDM-LBPRGKRZSA-N 0 3 297.351 1.339 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CC2)c1 ZINC000182405193 684324373 /nfs/dbraw/zinc/32/43/73/684324373.db2.gz BAPKXSQQJMXJRA-JTQLQIEISA-N 0 3 278.352 1.672 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883404219 684462519 /nfs/dbraw/zinc/46/25/19/684462519.db2.gz TYVWUUADDLXRAZ-OAHLLOKOSA-N 0 3 287.407 1.853 20 10 CDCDHN CN(C)c1ccc(CN(c2nc(N)nc(N)n2)C2CC2)cc1 ZINC000858359587 684560365 /nfs/dbraw/zinc/56/03/65/684560365.db2.gz XSCIIOKBNLAISH-UHFFFAOYSA-N 0 3 299.382 1.271 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C)C2=O)c1 ZINC000121033981 684567392 /nfs/dbraw/zinc/56/73/92/684567392.db2.gz RHLWVLOMOXUSQY-JOYOIKCWSA-N 0 3 264.325 1.282 20 10 CDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2c(C)cccc2O)C1 ZINC000877174167 684664289 /nfs/dbraw/zinc/66/42/89/684664289.db2.gz BAUKZUOFTQIULB-LBPRGKRZSA-N 0 3 298.408 1.214 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000790936366 684671543 /nfs/dbraw/zinc/67/15/43/684671543.db2.gz FDTKYAGVEXVDOC-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000790936366 684671549 /nfs/dbraw/zinc/67/15/49/684671549.db2.gz FDTKYAGVEXVDOC-CQSZACIVSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000722398635 684707018 /nfs/dbraw/zinc/70/70/18/684707018.db2.gz OVVBREJLVPEBHM-VIFPVBQESA-N 0 3 285.185 1.948 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)c([O-])c1 ZINC000822476278 684788569 /nfs/dbraw/zinc/78/85/69/684788569.db2.gz KXYQMUUPNCMHSB-UHFFFAOYSA-N 0 3 290.367 1.490 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H]3C[C@]3(CO)C2)cc1OC ZINC000783739001 684942446 /nfs/dbraw/zinc/94/24/46/684942446.db2.gz DQSKYJJPXPUWPF-XHDPSFHLSA-N 0 3 279.336 1.224 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884204820 685011764 /nfs/dbraw/zinc/01/17/64/685011764.db2.gz FYEUDFDIUMYXEM-CQSZACIVSA-N 0 3 291.395 1.049 20 10 CDCDHN C[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000879649625 685098179 /nfs/dbraw/zinc/09/81/79/685098179.db2.gz ZNMHAYLKFDOOPH-NEPJUHHUSA-N 0 3 283.393 1.868 20 10 CDCDHN C[NH2+]C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000843349030 685683910 /nfs/dbraw/zinc/68/39/10/685683910.db2.gz DJMCZOSLHSHXKP-NSHDSACASA-N 0 3 280.343 1.775 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877120738 685710914 /nfs/dbraw/zinc/71/09/14/685710914.db2.gz UPTYAZKEIBYAMV-CHWSQXEVSA-N 0 3 262.353 1.705 20 10 CDCDHN CCN(CC)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930597 685852724 /nfs/dbraw/zinc/85/27/24/685852724.db2.gz MBPOURNPJVVCAE-LLVKDONJSA-N 0 3 250.342 1.911 20 10 CDCDHN CCOc1ccc(O)c(CN(C)C[C@H]2COCCO2)c1 ZINC000827140319 685977802 /nfs/dbraw/zinc/97/78/02/685977802.db2.gz JZTVAVCRBARORY-AWEZNQCLSA-N 0 3 281.352 1.638 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000877489940 686344112 /nfs/dbraw/zinc/34/41/12/686344112.db2.gz RCOSPYBTVVEHNL-RISCZKNCSA-N 0 3 251.326 1.330 20 10 CDCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CN1 ZINC000841653931 686806235 /nfs/dbraw/zinc/80/62/35/686806235.db2.gz KTBKPURTTPCXBV-STQMWFEESA-N 0 3 290.411 1.644 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000050149747 686853894 /nfs/dbraw/zinc/85/38/94/686853894.db2.gz DUMVRHNSFGGSSU-GFCCVEGCSA-N 0 3 266.316 1.657 20 10 CDCDHN O=C1[C@@H](NCc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 ZINC000835072300 687044900 /nfs/dbraw/zinc/04/49/00/687044900.db2.gz FLBZHHUHDFBIOY-GJZGRUSLSA-N 0 3 286.375 1.865 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCCN2)c1 ZINC000817949687 687061287 /nfs/dbraw/zinc/06/12/87/687061287.db2.gz MIWYUKGWTWESNZ-DGCLKSJQSA-N 0 3 292.379 1.972 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949687 687061291 /nfs/dbraw/zinc/06/12/91/687061291.db2.gz MIWYUKGWTWESNZ-DGCLKSJQSA-N 0 3 292.379 1.972 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884309988 687148798 /nfs/dbraw/zinc/14/87/98/687148798.db2.gz LMSSOIXJSWMNHM-RNCFNFMXSA-N 0 3 278.352 1.705 20 10 CDCDHN COC[C@H]1CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000816637266 687358731 /nfs/dbraw/zinc/35/87/31/687358731.db2.gz YIUHKLDPBHHFEQ-MRXNPFEDSA-N 0 3 276.380 1.744 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN(C)C2CCC2)c1 ZINC000863873494 687694529 /nfs/dbraw/zinc/69/45/29/687694529.db2.gz GRSMCQUZSOKVCP-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN CCN1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000391524133 687832718 /nfs/dbraw/zinc/83/27/18/687832718.db2.gz DYCAOOZNDJALBJ-GXSJLCMTSA-N 0 3 266.316 1.803 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000775645527 688003618 /nfs/dbraw/zinc/00/36/18/688003618.db2.gz AXOXXRXBESCECY-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN CCC[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000126318049 688117246 /nfs/dbraw/zinc/11/72/46/688117246.db2.gz JJWSVJCGBDVARX-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000877118661 688141471 /nfs/dbraw/zinc/14/14/71/688141471.db2.gz JJTQYEDVSWBRGJ-GFCCVEGCSA-N 0 3 298.408 1.072 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC[C@H]1CCCO1 ZINC000879649787 688148539 /nfs/dbraw/zinc/14/85/39/688148539.db2.gz USTVUZOWVOLHDV-JHJVBQTASA-N 0 3 292.379 1.727 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000228414094 1165599234 /nfs/dbraw/zinc/59/92/34/1165599234.db2.gz WFHKCMIFTCXHKX-ZDUSSCGKSA-N 0 3 277.320 1.653 20 10 CDCDHN CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000126098841 1175432919 /nfs/dbraw/zinc/43/29/19/1175432919.db2.gz FJWJLJUZSUESKM-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN C[NH+](C)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000308698282 896348774 /nfs/dbraw/zinc/34/87/74/896348774.db2.gz OYRRLEFMHLZXRU-UHFFFAOYSA-N 0 3 252.314 1.168 20 10 CDCDHN Cc1cccc(CN2C[C@H](CO)C[C@H](F)C2)c1O ZINC001231591279 911786960 /nfs/dbraw/zinc/78/69/60/911786960.db2.gz YYEPAQRVORYOMI-YPMHNXCESA-N 0 3 253.317 1.853 20 10 CDCDHN C[C@@H](C(=O)N1CCc2cccc(O)c2C1)N1CCCC1 ZINC001180578735 916439401 /nfs/dbraw/zinc/43/94/01/916439401.db2.gz JQNNCZHCEBGNML-LBPRGKRZSA-N 0 3 274.364 1.761 20 10 CDCDHN COC(=O)C1(C)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275366 916510004 /nfs/dbraw/zinc/51/00/04/916510004.db2.gz PLMCUVAYQLULMA-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN Cc1ccc(O)c(CN2CC(N(C)[C@H]3CCOC3)C2)c1 ZINC001140622755 936732149 /nfs/dbraw/zinc/73/21/49/936732149.db2.gz FVZHQYYBCLGHHP-AWEZNQCLSA-N 0 3 276.380 1.606 20 10 CDCDHN OC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661647 936736776 /nfs/dbraw/zinc/73/67/76/936736776.db2.gz MWTVGRRIKYCDFZ-CYBMUJFWSA-N 0 3 294.370 1.477 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031948 936795496 /nfs/dbraw/zinc/79/54/96/936795496.db2.gz OBYZMKNQGNUMNF-QMTHXVAHSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031948 936795497 /nfs/dbraw/zinc/79/54/97/936795497.db2.gz OBYZMKNQGNUMNF-QMTHXVAHSA-N 0 3 281.352 1.612 20 10 CDCDHN CCC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158976 936822544 /nfs/dbraw/zinc/82/25/44/936822544.db2.gz UHAZLQMPXPONHX-UHFFFAOYSA-N 0 3 278.352 1.588 20 10 CDCDHN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001168977238 927562653 /nfs/dbraw/zinc/56/26/53/927562653.db2.gz JAAHAUDVASJGQL-GXSJLCMTSA-N 0 3 266.297 1.633 20 10 CDCDHN [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001206632002 937202993 /nfs/dbraw/zinc/20/29/93/937202993.db2.gz DTTYFPKJCDJYBJ-LLVKDONJSA-N 0 3 278.352 1.651 20 10 CDCDHN [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001206632002 937202994 /nfs/dbraw/zinc/20/29/94/937202994.db2.gz DTTYFPKJCDJYBJ-LLVKDONJSA-N 0 3 278.352 1.651 20 10 CDCDHN C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000692804072 937234198 /nfs/dbraw/zinc/23/41/98/937234198.db2.gz UULYNDBLUUICDR-NSHDSACASA-N 0 3 271.382 1.868 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883269321 930172426 /nfs/dbraw/zinc/17/24/26/930172426.db2.gz GFQVYFCISXJPQE-ZDUSSCGKSA-N 0 3 291.347 1.935 20 10 CDCDHN CCOc1cccc(CN2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001275270195 931719997 /nfs/dbraw/zinc/71/99/97/931719997.db2.gz GMSQEUHMEZGPDK-OKILXGFUSA-N 0 3 292.379 1.306 20 10 CDCDHN O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1cccc(O)c1[O-] ZINC001158269104 938602733 /nfs/dbraw/zinc/60/27/33/938602733.db2.gz OBUJDOARMCUNSG-LLVKDONJSA-N 0 3 276.336 1.169 20 10 CDCDHN COc1cccc(C[N@H+](CCCO)C(C)C)c1[O-] ZINC001203595936 939695319 /nfs/dbraw/zinc/69/53/19/939695319.db2.gz SFTSETDSJJNABH-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN COc1cccc(C[N@@H+](CCCO)C(C)C)c1[O-] ZINC001203595936 939695320 /nfs/dbraw/zinc/69/53/20/939695320.db2.gz SFTSETDSJJNABH-UHFFFAOYSA-N 0 3 253.342 1.994 20 10 CDCDHN O=C1CCCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1 ZINC001204273683 939750555 /nfs/dbraw/zinc/75/05/55/939750555.db2.gz FINOAQAVXWLULB-UHFFFAOYSA-N 0 3 290.363 1.733 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(O)cc1O ZINC001204282732 939751851 /nfs/dbraw/zinc/75/18/51/939751851.db2.gz UFIPQUYHQDQFNN-LBPRGKRZSA-N 0 3 264.325 1.198 20 10 CDCDHN COc1cc(CN2CC[C@@H](C)[C@@H](O)CC2)cc(O)c1O ZINC001204341765 939757194 /nfs/dbraw/zinc/75/71/94/939757194.db2.gz GDIHGNXFLZJUSM-PWSUYJOCSA-N 0 3 281.352 1.699 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1F ZINC001206182630 939993400 /nfs/dbraw/zinc/99/34/00/939993400.db2.gz CKQGAECQPUXIJK-SKDRFNHKSA-N 0 3 274.286 1.932 20 10 CDCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[NH2+]1 ZINC001220212281 941423831 /nfs/dbraw/zinc/42/38/31/941423831.db2.gz CLDZZBLSTIYWPR-NSHDSACASA-N 0 3 291.738 1.572 20 10 CDCDHN COc1ccc(N2CCN(c3ccnc(CO)c3)CC2)cc1 ZINC000316176823 941475273 /nfs/dbraw/zinc/47/52/73/941475273.db2.gz VEVRQZRYFKMHJL-UHFFFAOYSA-N 0 3 299.374 1.909 20 10 CDCDHN [NH3+]CC1(F)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001222548249 941612947 /nfs/dbraw/zinc/61/29/47/941612947.db2.gz CTILJFTZPJYWFZ-UHFFFAOYSA-N 0 3 274.286 1.933 20 10 CDCDHN COc1cc(O)c(CN2CCN3CC[C@H]3C2)cc1OC ZINC001236751106 944557883 /nfs/dbraw/zinc/55/78/83/944557883.db2.gz CDOOXHLHYFPUFX-LBPRGKRZSA-N 0 3 278.352 1.299 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001236784633 944566831 /nfs/dbraw/zinc/56/68/31/944566831.db2.gz XLCFOVOEZNGZDJ-ZFWWWQNUSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001236784633 944566836 /nfs/dbraw/zinc/56/68/36/944566836.db2.gz XLCFOVOEZNGZDJ-ZFWWWQNUSA-N 0 3 265.353 1.130 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001236807282 944572677 /nfs/dbraw/zinc/57/26/77/944572677.db2.gz FOPHTMORBYMXMO-NSHDSACASA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001236807282 944572680 /nfs/dbraw/zinc/57/26/80/944572680.db2.gz FOPHTMORBYMXMO-NSHDSACASA-N 0 3 251.326 1.666 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001236828002 944584935 /nfs/dbraw/zinc/58/49/35/944584935.db2.gz YWJJHNRUSCZRLH-ZBFHGGJFSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001236828002 944584948 /nfs/dbraw/zinc/58/49/48/944584948.db2.gz YWJJHNRUSCZRLH-ZBFHGGJFSA-N 0 3 273.332 1.330 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001237049533 944646240 /nfs/dbraw/zinc/64/62/40/944646240.db2.gz HKPKMNZZSWOEBD-HOTGVXAUSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001237049533 944646246 /nfs/dbraw/zinc/64/62/46/944646246.db2.gz HKPKMNZZSWOEBD-HOTGVXAUSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001237050116 944647611 /nfs/dbraw/zinc/64/76/11/944647611.db2.gz PQJXWVYAICMSIC-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001237050116 944647620 /nfs/dbraw/zinc/64/76/20/944647620.db2.gz PQJXWVYAICMSIC-ABAIWWIYSA-N 0 3 265.353 1.994 20 10 CDCDHN COC(=O)Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001249177655 949442785 /nfs/dbraw/zinc/44/27/85/949442785.db2.gz HWNUJGOFZRAWCY-IHRRRGAJSA-N 0 3 293.338 1.898 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC001308945764 956602738 /nfs/dbraw/zinc/60/27/38/956602738.db2.gz GFWOOQCEDVCEPP-FZMZJTMJSA-N 0 3 264.369 1.891 20 10 CDCDHN COCC[C@@H](N)C(=O)NCc1c(O)ccc2ccccc21 ZINC001573974407 1170847147 /nfs/dbraw/zinc/84/71/47/1170847147.db2.gz GLVQXNOMSANLMQ-CQSZACIVSA-N 0 3 288.347 1.525 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCC ZINC000274590024 365723174 /nfs/dbraw/zinc/72/31/74/365723174.db2.gz JUMSBEUZMFGUNK-MRXNPFEDSA-N 0 3 295.379 1.918 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCC ZINC000274590024 365723178 /nfs/dbraw/zinc/72/31/78/365723178.db2.gz JUMSBEUZMFGUNK-MRXNPFEDSA-N 0 3 295.379 1.918 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000180134422 357246252 /nfs/dbraw/zinc/24/62/52/357246252.db2.gz FGQPKFBWNBXCDK-ZDUSSCGKSA-N 0 3 269.316 1.505 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000180134422 357246255 /nfs/dbraw/zinc/24/62/55/357246255.db2.gz FGQPKFBWNBXCDK-ZDUSSCGKSA-N 0 3 269.316 1.505 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC(C)(C)O)cc1OC ZINC000180252202 357255111 /nfs/dbraw/zinc/25/51/11/357255111.db2.gz LJHSBPLHMOJSMS-UHFFFAOYSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC(C)(C)O)cc1OC ZINC000180252202 357255114 /nfs/dbraw/zinc/25/51/14/357255114.db2.gz LJHSBPLHMOJSMS-UHFFFAOYSA-N 0 3 269.341 1.612 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000188668960 357924673 /nfs/dbraw/zinc/92/46/73/357924673.db2.gz ZIXVGZYFRSIBGQ-UHFFFAOYSA-N 0 3 265.309 1.444 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185179750 358777237 /nfs/dbraw/zinc/77/72/37/358777237.db2.gz FVRIRJUWCGBRBI-SSDOTTSWSA-N 0 3 294.248 1.860 20 10 CDCDHN COc1ccc(N2CCCN(CCOCCO)CC2)cc1 ZINC000304216265 370692706 /nfs/dbraw/zinc/69/27/06/370692706.db2.gz CATTZTYCDUOROJ-UHFFFAOYSA-N 0 3 294.395 1.216 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000269326906 364179267 /nfs/dbraw/zinc/17/92/67/364179267.db2.gz AEQFKEXRCSUNTN-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000269326906 364179272 /nfs/dbraw/zinc/17/92/72/364179272.db2.gz AEQFKEXRCSUNTN-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN CCN(C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182463738 365128849 /nfs/dbraw/zinc/12/88/49/365128849.db2.gz YCFMUMVDMLPNTN-JTQLQIEISA-N 0 3 266.341 1.530 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc2c(cc1[O-])CCCC2 ZINC000530221017 368150493 /nfs/dbraw/zinc/15/04/93/368150493.db2.gz BUPCVIMVZIYDAK-SWLSCSKDSA-N 0 3 290.407 1.910 20 10 CDCDHN C[C@@H](CC[S@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000122753940 374656136 /nfs/dbraw/zinc/65/61/36/374656136.db2.gz FPOOSGTWBWQBEB-BBATYDOGSA-N 0 3 267.394 1.868 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccccc1[O-] ZINC000294110511 378626682 /nfs/dbraw/zinc/62/66/82/378626682.db2.gz KAXYYQKDTMCZGB-DYEKYZERSA-N 0 3 265.353 1.973 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168734255 390937006 /nfs/dbraw/zinc/93/70/06/390937006.db2.gz QLMJVGYSVJBSNR-JTQLQIEISA-N 0 3 278.352 1.578 20 10 CDCDHN COc1ccc(O)c(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000183399675 391263237 /nfs/dbraw/zinc/26/32/37/391263237.db2.gz MZNIWLKLVLVFCO-AWEZNQCLSA-N 0 3 280.368 1.163 20 10 CDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289550425 391615982 /nfs/dbraw/zinc/61/59/82/391615982.db2.gz IMSLIXNICDAQQZ-DOMZBBRYSA-N 0 3 294.370 1.826 20 10 CDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289550425 391615988 /nfs/dbraw/zinc/61/59/88/391615988.db2.gz IMSLIXNICDAQQZ-DOMZBBRYSA-N 0 3 294.370 1.826 20 10 CDCDHN CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000285276183 391714040 /nfs/dbraw/zinc/71/40/40/391714040.db2.gz ZFVRGDILISWKQV-SECBINFHSA-N 0 3 253.298 1.588 20 10 CDCDHN CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000285276183 391714043 /nfs/dbraw/zinc/71/40/43/391714043.db2.gz ZFVRGDILISWKQV-SECBINFHSA-N 0 3 253.298 1.588 20 10 CDCDHN COC[C@@H](CNCc1ccc(OC)c(C)c1)OC ZINC000227708116 392045179 /nfs/dbraw/zinc/04/51/79/392045179.db2.gz LSOCNADXCUCPAD-CYBMUJFWSA-N 0 3 253.342 1.755 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000035225048 172069784 /nfs/dbraw/zinc/06/97/84/172069784.db2.gz PKLYSWDDNWEOBR-AWEZNQCLSA-N 0 3 261.369 1.511 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047148 174056632 /nfs/dbraw/zinc/05/66/32/174056632.db2.gz CRZZDOOGAPTBOS-SNVBAGLBSA-N 0 3 287.381 1.486 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000038088865 174102119 /nfs/dbraw/zinc/10/21/19/174102119.db2.gz BHFOBKBDBYOUMK-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183485210 261976683 /nfs/dbraw/zinc/97/66/83/261976683.db2.gz WQHAMXDVZWAACU-CMPLNLGQSA-N 0 3 272.352 1.958 20 10 CDCDHN CCN(C)C(=O)CNCc1cc(C)c(C)cc1O ZINC000185182680 262044972 /nfs/dbraw/zinc/04/49/72/262044972.db2.gz PWPDDERCDYSHQE-UHFFFAOYSA-N 0 3 250.342 1.577 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000129639413 264329773 /nfs/dbraw/zinc/32/97/73/264329773.db2.gz HCCBTFYDJBENHY-STQMWFEESA-N 0 3 251.326 1.650 20 10 CDCDHN C[C@H](C[S@](C)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296409293 279376797 /nfs/dbraw/zinc/37/67/97/279376797.db2.gz KUESNOZDRRGGON-NVTQBHAOSA-N 0 3 253.367 1.736 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272626519 1161167117 /nfs/dbraw/zinc/16/71/17/1161167117.db2.gz ZTFZKTMNFIRJDC-INIZCTEOSA-N 0 3 290.363 1.455 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001272626519 1161167121 /nfs/dbraw/zinc/16/71/21/1161167121.db2.gz ZTFZKTMNFIRJDC-INIZCTEOSA-N 0 3 290.363 1.455 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c([O-])c1 ZINC000278520278 520373001 /nfs/dbraw/zinc/37/30/01/520373001.db2.gz RXNDVOCLEJNBIY-INIZCTEOSA-N 0 3 295.379 1.812 20 10 CDCDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000279811501 522205452 /nfs/dbraw/zinc/20/54/52/522205452.db2.gz OOYYMUQXWPESJM-UHFFFAOYSA-N 0 3 296.436 1.810 20 10 CDCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000299161413 524075596 /nfs/dbraw/zinc/07/55/96/524075596.db2.gz LCDBOPNQRVHQBZ-ZDUSSCGKSA-N 0 3 291.395 1.137 20 10 CDCDHN Cc1cccc(CNCCS(=O)(=O)C(C)C)c1O ZINC000290200995 524431743 /nfs/dbraw/zinc/43/17/43/524431743.db2.gz PPNIPKXEMSIORY-UHFFFAOYSA-N 0 3 271.382 1.613 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccccc1[O-] ZINC000228062530 525425238 /nfs/dbraw/zinc/42/52/38/525425238.db2.gz SIVNUPWJHPUDTH-MISXGVKJSA-N 0 3 251.326 1.583 20 10 CDCDHN COc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000277428593 526014894 /nfs/dbraw/zinc/01/48/94/526014894.db2.gz BVVFRQUQRZGLGT-UHFFFAOYSA-N 0 3 292.379 1.355 20 10 CDCDHN Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([O-])c1O ZINC000292090851 526209179 /nfs/dbraw/zinc/20/91/79/526209179.db2.gz NRAQTGOFAMZGSR-LLVKDONJSA-N 0 3 280.368 1.865 20 10 CDCDHN Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c([O-])c1O ZINC000292090851 526209184 /nfs/dbraw/zinc/20/91/84/526209184.db2.gz NRAQTGOFAMZGSR-LLVKDONJSA-N 0 3 280.368 1.865 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734285172 575335179 /nfs/dbraw/zinc/33/51/79/575335179.db2.gz HIPVVMRFTMWQLW-CYBMUJFWSA-N 0 3 289.379 1.770 20 10 CDCDHN C[N@H+](CCn1cccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446349 576284142 /nfs/dbraw/zinc/28/41/42/576284142.db2.gz JRINDTKPCXCNLX-CQSZACIVSA-N 0 3 289.335 1.147 20 10 CDCDHN C[N@@H+](CCn1cccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446349 576284144 /nfs/dbraw/zinc/28/41/44/576284144.db2.gz JRINDTKPCXCNLX-CQSZACIVSA-N 0 3 289.335 1.147 20 10 CDCDHN Oc1cc2c(cc1CN1CCCOCC1)[C@H](O)CO2 ZINC000768445776 576284186 /nfs/dbraw/zinc/28/41/86/576284186.db2.gz UIVMELBVDICEAW-CYBMUJFWSA-N 0 3 265.309 1.040 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000768448099 576284877 /nfs/dbraw/zinc/28/48/77/576284877.db2.gz BKRVGTSVDVJQNL-MFKMUULPSA-N 0 3 265.309 1.039 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000768448099 576284878 /nfs/dbraw/zinc/28/48/78/576284878.db2.gz BKRVGTSVDVJQNL-MFKMUULPSA-N 0 3 265.309 1.039 20 10 CDCDHN CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768453620 576285646 /nfs/dbraw/zinc/28/56/46/576285646.db2.gz ZYZZBCKGXMANEI-BXUZGUMPSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768453620 576285647 /nfs/dbraw/zinc/28/56/47/576285647.db2.gz ZYZZBCKGXMANEI-BXUZGUMPSA-N 0 3 279.336 1.429 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CC[C@H](C)C1 ZINC000744449914 576681620 /nfs/dbraw/zinc/68/16/20/576681620.db2.gz HZHRTKKKFCNYRY-LBPRGKRZSA-N 0 3 264.369 1.832 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763727295 576752665 /nfs/dbraw/zinc/75/26/65/576752665.db2.gz ILVZISYLODZTTQ-LBPRGKRZSA-N 0 3 261.321 1.920 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763727295 576752666 /nfs/dbraw/zinc/75/26/66/576752666.db2.gz ILVZISYLODZTTQ-LBPRGKRZSA-N 0 3 261.321 1.920 20 10 CDCDHN CCN1CCC[C@H]1CNC(=S)NCc1ccccc1O ZINC000748156472 576897729 /nfs/dbraw/zinc/89/77/29/576897729.db2.gz GBXIGLBISVTBSZ-ZDUSSCGKSA-N 0 3 293.436 1.841 20 10 CDCDHN CN(C)c1ccc(CN[C@@H](CO)CC(F)F)cc1F ZINC000758612590 577121789 /nfs/dbraw/zinc/12/17/89/577121789.db2.gz GHQKQHYECZHCRW-SNVBAGLBSA-N 0 3 276.302 1.997 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)CCF)N(C)C)cc1 ZINC000891245313 617390842 /nfs/dbraw/zinc/39/08/42/617390842.db2.gz CMJAYYNBXNETOB-AWEZNQCLSA-N 0 3 281.375 1.831 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN(C)C1=O ZINC000840935481 617607685 /nfs/dbraw/zinc/60/76/85/617607685.db2.gz QSRGXCOLVCMKRX-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN CCOc1ccc(C[N@H+](C)[C@@H](CC)CO)c([O-])c1 ZINC000824533550 618578133 /nfs/dbraw/zinc/57/81/33/618578133.db2.gz HNPDPNJJRMPLKO-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CC)CO)c([O-])c1 ZINC000824533550 618578140 /nfs/dbraw/zinc/57/81/40/618578140.db2.gz HNPDPNJJRMPLKO-LBPRGKRZSA-N 0 3 253.342 1.994 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)CCCO ZINC000824603693 618584018 /nfs/dbraw/zinc/58/40/18/618584018.db2.gz XZVPZKSPUFJAAF-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN COc1c([O-])c(CN[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841042210 618678109 /nfs/dbraw/zinc/67/81/09/618678109.db2.gz FSKITAZESGBFOF-SNVBAGLBSA-N 0 3 281.312 1.151 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000897684229 621072024 /nfs/dbraw/zinc/07/20/24/621072024.db2.gz LKFJZRRRAGGMSV-HZMBPMFUSA-N 0 3 252.333 1.704 20 10 CDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)cc1O ZINC000910951834 629115536 /nfs/dbraw/zinc/11/55/36/629115536.db2.gz WAIDOGAVHIQWLH-PHIMTYICSA-N 0 3 278.352 1.587 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000834908903 693976284 /nfs/dbraw/zinc/97/62/84/693976284.db2.gz MQOMFVQOMMBREQ-YMTOWFKASA-N 0 3 266.316 1.851 20 10 CDCDHN OC/C=C/CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000850357530 688531881 /nfs/dbraw/zinc/53/18/81/688531881.db2.gz MNWNTBUXPVNZOR-OWOJBTEDSA-N 0 3 280.343 1.300 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846137839 688754258 /nfs/dbraw/zinc/75/42/58/688754258.db2.gz RJMDTIVJGKJNSU-NXEZZACHSA-N 0 3 266.341 1.576 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c([O-])c1 ZINC000775028956 688876877 /nfs/dbraw/zinc/87/68/77/688876877.db2.gz HNIXAMQYUNVJGY-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])C[NH+]1CCCC1 ZINC000126398703 694345008 /nfs/dbraw/zinc/34/50/08/694345008.db2.gz QJYSNVSAEXZYFE-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN Cc1cccc(O)c1CN1CCN2C(=O)CC[C@H]2C1 ZINC000876655077 692300719 /nfs/dbraw/zinc/30/07/19/692300719.db2.gz VMXMMJCIFGOEHG-LBPRGKRZSA-N 0 3 260.337 1.507 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000311763889 692454446 /nfs/dbraw/zinc/45/44/46/692454446.db2.gz BBBYPTKXFFDNQT-AWEZNQCLSA-N 0 3 261.369 1.496 20 10 CDCDHN COCC[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000775032772 692511730 /nfs/dbraw/zinc/51/17/30/692511730.db2.gz KDGVFVLAXUCOLN-CQSZACIVSA-N 0 3 251.326 1.677 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c([O-])c1 ZINC000706722699 692943821 /nfs/dbraw/zinc/94/38/21/692943821.db2.gz NRTIWJWFVSFVEO-ZKYQVNSYSA-N 0 3 251.326 1.501 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877120739 693102403 /nfs/dbraw/zinc/10/24/03/693102403.db2.gz UPTYAZKEIBYAMV-OLZOCXBDSA-N 0 3 262.353 1.705 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135719502 693155689 /nfs/dbraw/zinc/15/56/89/693155689.db2.gz GBSAZEPEPGHATL-NSHDSACASA-N 0 3 250.342 1.815 20 10 CDCDHN CON(C)C(=O)[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000858324820 693234427 /nfs/dbraw/zinc/23/44/27/693234427.db2.gz HEGDOYXYOXNCNA-LLVKDONJSA-N 0 3 266.341 1.507 20 10 CDCDHN CCS(=O)(=O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877593107 693359101 /nfs/dbraw/zinc/35/91/01/693359101.db2.gz YSVWDCBDBQXXSV-UHFFFAOYSA-N 0 3 271.382 1.615 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000230663342 694667964 /nfs/dbraw/zinc/66/79/64/694667964.db2.gz NXMKQKPNDFBWNO-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)CN(C)C1CCC1 ZINC000863859152 693401421 /nfs/dbraw/zinc/40/14/21/693401421.db2.gz MDFBSLMGKOVTSD-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(F)ccc1[O-] ZINC000702652926 693442557 /nfs/dbraw/zinc/44/25/57/693442557.db2.gz NRBAWTWARJNHQE-HZMBPMFUSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075368 694796980 /nfs/dbraw/zinc/79/69/80/694796980.db2.gz WYPBBWJKZIGYIW-TZMCWYRMSA-N 0 3 290.363 1.644 20 10 CDCDHN CC(C)N(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057558024 694801176 /nfs/dbraw/zinc/80/11/76/694801176.db2.gz CIYPSDQLCLESSD-UHFFFAOYSA-N 0 3 281.375 1.848 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048227 694795395 /nfs/dbraw/zinc/79/53/95/694795395.db2.gz CIURSHGWGOPEJN-VIFPVBQESA-N 0 3 281.312 1.090 20 10 CDCDHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1C ZINC000090027613 694838642 /nfs/dbraw/zinc/83/86/42/694838642.db2.gz PGYAUKQVBBVISU-LBPRGKRZSA-N 0 3 276.336 1.241 20 10 CDCDHN CN1C(=O)NCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000822529654 694853521 /nfs/dbraw/zinc/85/35/21/694853521.db2.gz GUTFKZAOVBNVFX-UHFFFAOYSA-N 0 3 293.342 1.521 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC000827359361 694869044 /nfs/dbraw/zinc/86/90/44/694869044.db2.gz MWJDXTIMHZWMMZ-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC000827359361 694869045 /nfs/dbraw/zinc/86/90/45/694869045.db2.gz MWJDXTIMHZWMMZ-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000934943905 723357684 /nfs/dbraw/zinc/35/76/84/723357684.db2.gz VXBLNXIOUQWYQX-CQSZACIVSA-N 0 3 292.379 1.890 20 10 CDCDHN CON(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000862539234 723505049 /nfs/dbraw/zinc/50/50/49/723505049.db2.gz KQHQSUDBCWLZIM-LBPRGKRZSA-N 0 3 279.384 1.559 20 10 CDCDHN Cc1cccc(O)c1CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877545219 723512118 /nfs/dbraw/zinc/51/21/18/723512118.db2.gz HDTDRXLLSMWTOJ-GFCCVEGCSA-N 0 3 298.408 1.166 20 10 CDCDHN COc1ccc(O)c(CN[C@H](C)C(=O)NC(C)C)c1 ZINC000228936265 723642237 /nfs/dbraw/zinc/64/22/37/723642237.db2.gz AKXOMYJLNRHRDV-SNVBAGLBSA-N 0 3 266.341 1.404 20 10 CDCDHN CN1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159013 723606767 /nfs/dbraw/zinc/60/67/67/723606767.db2.gz KPPOEZHOKYZULP-LLVKDONJSA-N 0 3 258.325 1.662 20 10 CDCDHN CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977845 723672075 /nfs/dbraw/zinc/67/20/75/723672075.db2.gz QKJUTAULMANMNZ-KZVDOYCCSA-N 0 3 250.317 1.790 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@H](NC(C)=O)C2)c1 ZINC000179691496 723506346 /nfs/dbraw/zinc/50/63/46/723506346.db2.gz GLUKDMJLFLTXHX-ZDUSSCGKSA-N 0 3 278.352 1.501 20 10 CDCDHN Cn1nccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381742747 723612165 /nfs/dbraw/zinc/61/21/65/723612165.db2.gz PNFYBTKYNSGXOE-ZDUSSCGKSA-N 0 3 257.337 1.945 20 10 CDCDHN CO[C@@]1(C[N@H+](C)Cc2ccccc2[O-])CCOC1 ZINC000876615521 723627595 /nfs/dbraw/zinc/62/75/95/723627595.db2.gz GZKYXBLJFFPGNE-CQSZACIVSA-N 0 3 251.326 1.630 20 10 CDCDHN CO[C@@]1(C[N@@H+](C)Cc2ccccc2[O-])CCOC1 ZINC000876615521 723627596 /nfs/dbraw/zinc/62/75/96/723627596.db2.gz GZKYXBLJFFPGNE-CQSZACIVSA-N 0 3 251.326 1.630 20 10 CDCDHN CCOc1cccc(CNCc2cncn2C)c1O ZINC000289746145 723675404 /nfs/dbraw/zinc/67/54/04/723675404.db2.gz HFCYKCVLUMBNJA-UHFFFAOYSA-N 0 3 261.325 1.814 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@@]1(C)O ZINC001204275710 916503594 /nfs/dbraw/zinc/50/35/94/916503594.db2.gz AAGLTAIDMOBYCJ-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@]1(C)O ZINC001204275710 916503605 /nfs/dbraw/zinc/50/36/05/916503605.db2.gz AAGLTAIDMOBYCJ-QMTHXVAHSA-N 0 3 251.326 1.691 20 10 CDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@@H]1C ZINC001204278750 916590297 /nfs/dbraw/zinc/59/02/97/916590297.db2.gz JLGGFNZPODGMFQ-MFKMUULPSA-N 0 3 279.336 1.871 20 10 CDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H]1C ZINC001204278750 916590317 /nfs/dbraw/zinc/59/03/17/916590317.db2.gz JLGGFNZPODGMFQ-MFKMUULPSA-N 0 3 279.336 1.871 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001203620752 919676328 /nfs/dbraw/zinc/67/63/28/919676328.db2.gz HNKRPCIUMWYJQZ-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001203620752 919676335 /nfs/dbraw/zinc/67/63/35/919676335.db2.gz HNKRPCIUMWYJQZ-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN Oc1ccc(F)cc1CN1CC(N2CCCC2)C1 ZINC001140055271 936674607 /nfs/dbraw/zinc/67/46/07/936674607.db2.gz PTCSSNADCKVWPR-UHFFFAOYSA-N 0 3 250.317 1.811 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140057140 936674909 /nfs/dbraw/zinc/67/49/09/936674909.db2.gz CSOTYFHRXMIVBH-WCQYABFASA-N 0 3 257.280 1.826 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140057140 936674911 /nfs/dbraw/zinc/67/49/11/936674911.db2.gz CSOTYFHRXMIVBH-WCQYABFASA-N 0 3 257.280 1.826 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(CC(N)=O)C(C)(C)C2)c1 ZINC001140623572 936732209 /nfs/dbraw/zinc/73/22/09/936732209.db2.gz WBMREXSEQDMANH-UHFFFAOYSA-N 0 3 291.395 1.082 20 10 CDCDHN CCN(CC)c1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001140850223 936764540 /nfs/dbraw/zinc/76/45/40/936764540.db2.gz HBXMBQYFDUJHPT-HNNXBMFYSA-N 0 3 294.395 1.432 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000702652494 922586414 /nfs/dbraw/zinc/58/64/14/922586414.db2.gz LISNYEKQHCAJRX-QMTHXVAHSA-N 0 3 268.332 1.249 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](O)C2)c(OC)c1 ZINC001141031250 936795133 /nfs/dbraw/zinc/79/51/33/936795133.db2.gz AELWHYGMRFZQPA-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](O)C2)c(OC)c1 ZINC001141031250 936795135 /nfs/dbraw/zinc/79/51/35/936795135.db2.gz AELWHYGMRFZQPA-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000706855341 923099829 /nfs/dbraw/zinc/09/98/29/923099829.db2.gz DQCZZEOOQZIPGN-UWVGGRQHSA-N 0 3 297.196 1.806 20 10 CDCDHN CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1 ZINC000707553435 923168894 /nfs/dbraw/zinc/16/88/94/923168894.db2.gz XSRBPAHCAVTNQS-NSHDSACASA-N 0 3 264.325 1.168 20 10 CDCDHN CN(Cc1ccc2c(c1)OCCN2C)[C@H]1CCOC1 ZINC001141144307 936819413 /nfs/dbraw/zinc/81/94/13/936819413.db2.gz ZCFDLJLRCUCGJA-ZDUSSCGKSA-N 0 3 262.353 1.736 20 10 CDCDHN CC(C)N1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141155818 936821422 /nfs/dbraw/zinc/82/14/22/936821422.db2.gz KPSNJGDMSGBBOS-UHFFFAOYSA-N 0 3 250.342 1.624 20 10 CDCDHN CCNS(=O)(=O)CCNCc1ccc(N(C)C)cc1C ZINC000840932123 936968958 /nfs/dbraw/zinc/96/89/58/936968958.db2.gz NLXGYBDHKRTPSG-UHFFFAOYSA-N 0 3 299.440 1.090 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105427 936975773 /nfs/dbraw/zinc/97/57/73/936975773.db2.gz MPTVRRLFWWSBAD-AWEZNQCLSA-N 0 3 250.317 1.859 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1[O-] ZINC000841765271 937013706 /nfs/dbraw/zinc/01/37/06/937013706.db2.gz WYTLMGVPBKQZRF-KOLCDFICSA-N 0 3 272.776 1.619 20 10 CDCDHN C[NH+]1CCC(C)(CNC(=O)c2cc([O-])cs2)CC1 ZINC000780766793 937204292 /nfs/dbraw/zinc/20/42/92/937204292.db2.gz IHWZXHCPJHYLMM-UHFFFAOYSA-N 0 3 268.382 1.915 20 10 CDCDHN CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169580828 928230179 /nfs/dbraw/zinc/23/01/79/928230179.db2.gz YSRGJSPUTYNUBA-GFCCVEGCSA-N 0 3 264.325 1.198 20 10 CDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000776811605 928405646 /nfs/dbraw/zinc/40/56/46/928405646.db2.gz BGDXFKKIPGENAK-DZGCQCFKSA-N 0 3 281.352 1.302 20 10 CDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000776868585 928528087 /nfs/dbraw/zinc/52/80/87/928528087.db2.gz IQXHETLBPIKTFF-JGGQBBKZSA-N 0 3 295.379 1.863 20 10 CDCDHN CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1[O-] ZINC000858549664 928882787 /nfs/dbraw/zinc/88/27/87/928882787.db2.gz YJQSJHWTQCSTOA-OCCSQVGLSA-N 0 3 264.369 1.500 20 10 CDCDHN C[C@@H]([NH2+]CCN)c1cc(Br)c(F)cc1[O-] ZINC000817935516 930635788 /nfs/dbraw/zinc/63/57/88/930635788.db2.gz XGYMLXXOIMPMIP-ZCFIWIBFSA-N 0 3 277.137 1.903 20 10 CDCDHN C[C@@H](NCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817935516 930635794 /nfs/dbraw/zinc/63/57/94/930635794.db2.gz XGYMLXXOIMPMIP-ZCFIWIBFSA-N 0 3 277.137 1.903 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C/C=C\CO)c1[O-] ZINC000717524650 931053424 /nfs/dbraw/zinc/05/34/24/931053424.db2.gz HKAHBMNVZMCYQH-IHWYPQMZSA-N 0 3 257.717 1.692 20 10 CDCDHN C[C@H](NCC1OCCO1)c1ccc(N2CCOCC2)cc1 ZINC000777722496 933189674 /nfs/dbraw/zinc/18/96/74/933189674.db2.gz TZPKYUHOBLLBGL-ZDUSSCGKSA-N 0 3 292.379 1.547 20 10 CDCDHN Cc1cccc(CNc2cc3c(nn2)CCNC3)c1O ZINC001160769228 938825771 /nfs/dbraw/zinc/82/57/71/938825771.db2.gz BKCNOQDSVIRANK-UHFFFAOYSA-N 0 3 270.336 1.748 20 10 CDCDHN CCCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203880442 939711127 /nfs/dbraw/zinc/71/11/27/939711127.db2.gz AUWOCDITHOZETD-UHFFFAOYSA-N 0 3 250.342 1.625 20 10 CDCDHN OCC[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882786 939711378 /nfs/dbraw/zinc/71/13/78/939711378.db2.gz VLMUZHPVICUJAD-NSHDSACASA-N 0 3 251.326 1.692 20 10 CDCDHN CCOC(=O)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204276852 939751623 /nfs/dbraw/zinc/75/16/23/939751623.db2.gz SLWDGPRCLKXFGJ-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000179470757 940826572 /nfs/dbraw/zinc/82/65/72/940826572.db2.gz NYXQOROPPYBVHU-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000179470757 940826574 /nfs/dbraw/zinc/82/65/74/940826574.db2.gz NYXQOROPPYBVHU-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193143 942157347 /nfs/dbraw/zinc/15/73/47/942157347.db2.gz YVZDJQGYQQYEOK-BBRMVZONSA-N 0 3 290.363 1.575 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193143 942157350 /nfs/dbraw/zinc/15/73/50/942157350.db2.gz YVZDJQGYQQYEOK-BBRMVZONSA-N 0 3 290.363 1.575 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c([O-])c1 ZINC001277566811 943015673 /nfs/dbraw/zinc/01/56/73/943015673.db2.gz AXQKDWIPWSJLAC-AGGWBTHJSA-N 0 3 274.364 1.644 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c([O-])c1 ZINC001277566811 943015680 /nfs/dbraw/zinc/01/56/80/943015680.db2.gz AXQKDWIPWSJLAC-AGGWBTHJSA-N 0 3 274.364 1.644 20 10 CDCDHN COC(=O)CN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231846213 943026319 /nfs/dbraw/zinc/02/63/19/943026319.db2.gz IBPRTWMZSPGVNF-UHFFFAOYSA-N 0 3 292.379 1.300 20 10 CDCDHN CNC(=O)CCN(C)Cc1ccc(N(C)C)cc1OC ZINC001231854053 943030597 /nfs/dbraw/zinc/03/05/97/943030597.db2.gz XOAPRKPUDSPQFC-UHFFFAOYSA-N 0 3 279.384 1.329 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487665 943595062 /nfs/dbraw/zinc/59/50/62/943595062.db2.gz NKPFEVJAMYNFEL-SNVBAGLBSA-N 0 3 295.335 1.579 20 10 CDCDHN CC(C)N1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950044 943699306 /nfs/dbraw/zinc/69/93/06/943699306.db2.gz RNMIEVMRDGPMPS-JTQLQIEISA-N 0 3 289.335 1.903 20 10 CDCDHN CN(C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236933622 944618580 /nfs/dbraw/zinc/61/85/80/944618580.db2.gz YWIUMCKICBFRHC-UHFFFAOYSA-N 0 3 251.349 1.639 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001237050680 944646582 /nfs/dbraw/zinc/64/65/82/944646582.db2.gz UILBWMLKKGZNRZ-HOTGVXAUSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001237050680 944646586 /nfs/dbraw/zinc/64/65/86/944646586.db2.gz UILBWMLKKGZNRZ-HOTGVXAUSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOC(=O)CN1CCN(Cc2c(C)cccc2O)CC1 ZINC001237483749 944810941 /nfs/dbraw/zinc/81/09/41/944810941.db2.gz SMYDOJPIAHKVGE-UHFFFAOYSA-N 0 3 292.379 1.381 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(CCF)CC1 ZINC001237487699 944813977 /nfs/dbraw/zinc/81/39/77/944813977.db2.gz LOUTWZNAHLMULL-UHFFFAOYSA-N 0 3 252.333 1.788 20 10 CDCDHN COc1cc(CN2CCN3CC[C@H]3C2)c(O)c(OC)c1 ZINC001237684236 944925633 /nfs/dbraw/zinc/92/56/33/944925633.db2.gz PDEMBTXUIMHKSR-LBPRGKRZSA-N 0 3 278.352 1.299 20 10 CDCDHN C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC001256320772 948269393 /nfs/dbraw/zinc/26/93/93/948269393.db2.gz XTKDVKOCKSADEZ-LBPRGKRZSA-N 0 3 278.352 1.119 20 10 CDCDHN CCN(Cc1ccccc1O)C1CCS(=O)(=O)CC1 ZINC001256391412 948296635 /nfs/dbraw/zinc/29/66/35/948296635.db2.gz AEVUTRQFGFXDRR-UHFFFAOYSA-N 0 3 283.393 1.791 20 10 CDCDHN Oc1ccc(CNC[C@H](O)COCc2ccco2)cc1O ZINC001252657805 951544589 /nfs/dbraw/zinc/54/45/89/951544589.db2.gz XZTRROGOWFNYMU-LBPRGKRZSA-N 0 3 293.319 1.358 20 10 CDCDHN COC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001252828755 951669670 /nfs/dbraw/zinc/66/96/70/951669670.db2.gz UOIXCHUXAHVPNT-AWEZNQCLSA-N 0 3 261.321 1.642 20 10 CDCDHN COc1cc(C)c(C[NH2+]CCOCCF)c([O-])c1 ZINC001308880464 956591666 /nfs/dbraw/zinc/59/16/66/956591666.db2.gz JCOHXKCNEZWGNV-UHFFFAOYSA-N 0 3 257.305 1.785 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000092455975 342412563 /nfs/dbraw/zinc/41/25/63/342412563.db2.gz JKUTUIRFTPKTIE-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000092455975 342412564 /nfs/dbraw/zinc/41/25/64/342412564.db2.gz JKUTUIRFTPKTIE-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000294994395 199289560 /nfs/dbraw/zinc/28/95/60/199289560.db2.gz HVDPHFYSYJEIGF-HNNXBMFYSA-N 0 3 279.336 1.404 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294994395 199289561 /nfs/dbraw/zinc/28/95/61/199289561.db2.gz HVDPHFYSYJEIGF-HNNXBMFYSA-N 0 3 279.336 1.404 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051994805 260209931 /nfs/dbraw/zinc/20/99/31/260209931.db2.gz OFUUQZOZBPWCMX-JSGCOSHPSA-N 0 3 251.326 1.794 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000192805205 358238299 /nfs/dbraw/zinc/23/82/99/358238299.db2.gz OXPIJWPPFZOZKK-LSDHHAIUSA-N 0 3 291.439 1.640 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2CCOCC2)c1 ZINC000104187266 358949754 /nfs/dbraw/zinc/94/97/54/358949754.db2.gz LZDVUQXRZHVSKI-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCSCC1 ZINC000226619638 359705901 /nfs/dbraw/zinc/70/59/01/359705901.db2.gz BYBIQHAOHITYRB-UHFFFAOYSA-N 0 3 270.373 1.670 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000230663249 360336136 /nfs/dbraw/zinc/33/61/36/360336136.db2.gz YYMAIIZEZUQQON-VXGBXAGGSA-N 0 3 253.342 1.749 20 10 CDCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000281567919 363814654 /nfs/dbraw/zinc/81/46/54/363814654.db2.gz KGXRHSIAQCVCIR-WDEREUQCSA-N 0 3 269.341 1.449 20 10 CDCDHN COCC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000291673193 365059572 /nfs/dbraw/zinc/05/95/72/365059572.db2.gz GTZHCULEABGIQI-UHFFFAOYSA-N 0 3 267.325 1.883 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)N[C@H](CO)c2cnn(C)c2)c1 ZINC000273446745 365497143 /nfs/dbraw/zinc/49/71/43/365497143.db2.gz FHFLNNQUPSIKTH-BXUZGUMPSA-N 0 3 275.352 1.818 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000284438840 368521288 /nfs/dbraw/zinc/52/12/88/368521288.db2.gz SOVZHKZEOPJMBT-KGLIPLIRSA-N 0 3 278.396 1.588 20 10 CDCDHN COCCN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000120863002 390876902 /nfs/dbraw/zinc/87/69/02/390876902.db2.gz YGNAZUGKKGQXLN-UHFFFAOYSA-N 0 3 278.396 1.773 20 10 CDCDHN COc1cc(O)c(CN2CCOC[C@@H](C)C2)cc1OC ZINC000371365379 390945804 /nfs/dbraw/zinc/94/58/04/390945804.db2.gz DPEAHDNEGZMSSN-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000373125364 391107007 /nfs/dbraw/zinc/10/70/07/391107007.db2.gz NNRYHUPWILFMHC-LBPRGKRZSA-N 0 3 261.300 1.902 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[O-] ZINC000373738392 391130440 /nfs/dbraw/zinc/13/04/40/391130440.db2.gz OUOLCIRVARQHHR-YUTCNCBUSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[O-] ZINC000373738392 391130442 /nfs/dbraw/zinc/13/04/42/391130442.db2.gz OUOLCIRVARQHHR-YUTCNCBUSA-N 0 3 274.364 1.786 20 10 CDCDHN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000179578856 391212961 /nfs/dbraw/zinc/21/29/61/391212961.db2.gz LMQNORYLFRIONK-GFCCVEGCSA-N 0 3 281.377 1.873 20 10 CDCDHN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000179578856 391212964 /nfs/dbraw/zinc/21/29/64/391212964.db2.gz LMQNORYLFRIONK-GFCCVEGCSA-N 0 3 281.377 1.873 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000188469891 391404753 /nfs/dbraw/zinc/40/47/53/391404753.db2.gz GRICZDFKISZAKV-LLVKDONJSA-N 0 3 262.353 1.578 20 10 CDCDHN CN(C)C(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000037207363 260074548 /nfs/dbraw/zinc/07/45/48/260074548.db2.gz HXXXUOFLFDVMIU-UHFFFAOYSA-N 0 3 275.396 1.855 20 10 CDCDHN OC[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000090282303 260253832 /nfs/dbraw/zinc/25/38/32/260253832.db2.gz HIDJNIMSGHBOKZ-HNNXBMFYSA-N 0 3 264.369 1.120 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987185 260272660 /nfs/dbraw/zinc/27/26/60/260272660.db2.gz NRYAWNBRIQHDSO-UHFFFAOYSA-N 0 3 278.352 1.549 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000154992467 261096701 /nfs/dbraw/zinc/09/67/01/261096701.db2.gz OAGOCKXYPOGORI-GFCCVEGCSA-N 0 3 279.359 1.589 20 10 CDCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1[O-] ZINC000157914510 261155725 /nfs/dbraw/zinc/15/57/25/261155725.db2.gz JRPBJFOPCLGIJM-GFCCVEGCSA-N 0 3 288.351 1.586 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1[O-] ZINC000168191524 261411506 /nfs/dbraw/zinc/41/15/06/261411506.db2.gz YNDLLXRSCJYQTN-XLFHBGCDSA-N 0 3 257.355 1.257 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186510981 262096358 /nfs/dbraw/zinc/09/63/58/262096358.db2.gz NCJAQSSMIATUNA-LLVKDONJSA-N 0 3 288.351 1.504 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@H]1OC ZINC000272529802 263006063 /nfs/dbraw/zinc/00/60/63/263006063.db2.gz AYRYDNFYMLKIOJ-NWANDNLSSA-N 0 3 281.352 1.683 20 10 CDCDHN CN(C)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000368348564 267165228 /nfs/dbraw/zinc/16/52/28/267165228.db2.gz MWUGNMYKGMYHGZ-ITGUQSILSA-N 0 3 264.344 1.562 20 10 CDCDHN CC(C)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000297002646 275642700 /nfs/dbraw/zinc/64/27/00/275642700.db2.gz SUPDBABVRGRJES-QWHCGFSZSA-N 0 3 274.364 1.978 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290601043 328259855 /nfs/dbraw/zinc/25/98/55/328259855.db2.gz VXEPAHUMUSNUTL-NSHDSACASA-N 0 3 299.392 1.315 20 10 CDCDHN CCn1nncc1CN[C@@H]1CCc2cccc(O)c21 ZINC000527917208 330295172 /nfs/dbraw/zinc/29/51/72/330295172.db2.gz RNIZQFJFPOOEQK-GFCCVEGCSA-N 0 3 258.325 1.781 20 10 CDCDHN CC(C)(CNC(=O)c1cccc(O)c1[O-])C[NH+]1CCCC1 ZINC000276721704 519263617 /nfs/dbraw/zinc/26/36/17/519263617.db2.gz AOPUJSDCLCCWOZ-UHFFFAOYSA-N 0 3 292.379 1.950 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000037782216 521367833 /nfs/dbraw/zinc/36/78/33/521367833.db2.gz LVEUYSGDGCNBOX-LBPRGKRZSA-N 0 3 292.379 1.891 20 10 CDCDHN CN(C)c1ccc(CN(C)CCN2CCOCC2)cc1F ZINC000130718782 522170583 /nfs/dbraw/zinc/17/05/83/522170583.db2.gz KGVHSKIAFOIMSP-UHFFFAOYSA-N 0 3 295.402 1.656 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC2=CCCOC2)cc1OC ZINC000290153127 522778789 /nfs/dbraw/zinc/77/87/89/522778789.db2.gz LFQSYZCSKWJJCB-UHFFFAOYSA-N 0 3 279.336 1.846 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H](O)COC)c1ccc(C)cc1[O-] ZINC000280245559 522861882 /nfs/dbraw/zinc/86/18/82/522861882.db2.gz WGKSXEGTNDHLDC-WCQYABFASA-N 0 3 253.342 1.749 20 10 CDCDHN COc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1C ZINC000068801814 524071913 /nfs/dbraw/zinc/07/19/13/524071913.db2.gz OOZNREODAGRRSX-OAHLLOKOSA-N 0 3 277.412 1.339 20 10 CDCDHN C[C@@H](Cn1cccn1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880079 524953590 /nfs/dbraw/zinc/95/35/90/524953590.db2.gz DXPYSSNJECRAGV-JTQLQIEISA-N 0 3 275.308 1.496 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000279725858 525099169 /nfs/dbraw/zinc/09/91/69/525099169.db2.gz VEJVNZPXLORROS-UHFFFAOYSA-N 0 3 273.329 1.198 20 10 CDCDHN COc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000280521695 526014399 /nfs/dbraw/zinc/01/43/99/526014399.db2.gz BBZCCXAYUGLUKE-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN Cn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000041159004 527218198 /nfs/dbraw/zinc/21/81/98/527218198.db2.gz FPNNUEODXCRWJY-UHFFFAOYSA-N 0 3 286.379 1.547 20 10 CDCDHN NC(=O)Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000727470782 574584898 /nfs/dbraw/zinc/58/48/98/574584898.db2.gz MHCRDNNVQAFADW-UHFFFAOYSA-N 0 3 270.332 1.710 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000734163187 575161089 /nfs/dbraw/zinc/16/10/89/575161089.db2.gz BMGDDTWMELNBBN-LBPRGKRZSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](O)C2CC2)c([O-])c1 ZINC000734844602 575387101 /nfs/dbraw/zinc/38/71/01/575387101.db2.gz QKPRTKRKIUWCRR-AWEZNQCLSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)C2CC2)c([O-])c1 ZINC000768330462 576272005 /nfs/dbraw/zinc/27/20/05/576272005.db2.gz SPKBZCRPXNQONJ-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)C2CC2)c([O-])c1 ZINC000768330462 576272008 /nfs/dbraw/zinc/27/20/08/576272008.db2.gz SPKBZCRPXNQONJ-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cc(CN(C)[C@@H]2CCOC2)c(O)cc1C ZINC000768452063 576285117 /nfs/dbraw/zinc/28/51/17/576285117.db2.gz NTUCBCFBRNMIFM-GFCCVEGCSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000742375017 576598517 /nfs/dbraw/zinc/59/85/17/576598517.db2.gz KUHPGLPMUBVXQN-NWDGAFQWSA-N 0 3 264.369 1.973 20 10 CDCDHN C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000757658582 577048820 /nfs/dbraw/zinc/04/88/20/577048820.db2.gz HXRAJMWJFPNXNA-QMTHXVAHSA-N 0 3 283.343 1.969 20 10 CDCDHN CN(C)c1ccc(CN[C@@]2(CO)CCOC2)cc1F ZINC000757978607 577064808 /nfs/dbraw/zinc/06/48/08/577064808.db2.gz NRKPDUTYMBBHLW-CQSZACIVSA-N 0 3 268.332 1.133 20 10 CDCDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)c(O)c1OC ZINC000893668984 617817923 /nfs/dbraw/zinc/81/79/23/617817923.db2.gz JGGHFSJALJQDCU-NWDGAFQWSA-N 0 3 294.395 1.934 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC000897683775 621072391 /nfs/dbraw/zinc/07/23/91/621072391.db2.gz GSFIXDFUNKRKEH-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC000897683775 621072393 /nfs/dbraw/zinc/07/23/93/621072393.db2.gz GSFIXDFUNKRKEH-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN CC(C)[C@@H]([NH3+])CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958466 695344892 /nfs/dbraw/zinc/34/48/92/695344892.db2.gz JVUHJPCKSJZMCY-SKDRFNHKSA-N 0 3 267.329 1.934 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000704337366 695842651 /nfs/dbraw/zinc/84/26/51/695842651.db2.gz CVDZZQIPCYWGAU-CQSZACIVSA-N 0 3 261.369 1.463 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000126954623 695963759 /nfs/dbraw/zinc/96/37/59/695963759.db2.gz JSISKTCREOIPHL-AWEZNQCLSA-N 0 3 282.409 1.419 20 10 CDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817896706 695217069 /nfs/dbraw/zinc/21/70/69/695217069.db2.gz QBZDZQXVJHIJGW-LSDHHAIUSA-N 0 3 291.395 1.136 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)C2CC[NH2+]CC2)c1[O-] ZINC000050158750 695339432 /nfs/dbraw/zinc/33/94/32/695339432.db2.gz REHWSJKQGDDECH-UHFFFAOYSA-N 0 3 280.343 1.918 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CC=CCC1 ZINC000793319030 695379019 /nfs/dbraw/zinc/37/90/19/695379019.db2.gz KXOJFOJUJWPMGY-UHFFFAOYSA-N 0 3 262.353 1.752 20 10 CDCDHN Cc1cccc(CN(CCN(C)C)CC(=O)N(C)C)c1O ZINC000827158942 695461682 /nfs/dbraw/zinc/46/16/82/695461682.db2.gz VXSCCMCBZNQPRX-UHFFFAOYSA-N 0 3 293.411 1.152 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515305 695751315 /nfs/dbraw/zinc/75/13/15/695751315.db2.gz BDUAPNNSJZPNEQ-UHFFFAOYSA-N 0 3 290.407 1.936 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515305 695751320 /nfs/dbraw/zinc/75/13/20/695751320.db2.gz BDUAPNNSJZPNEQ-UHFFFAOYSA-N 0 3 290.407 1.936 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1)OCO2 ZINC000230667411 695795927 /nfs/dbraw/zinc/79/59/27/695795927.db2.gz ATGKNDLAMUYFSB-PWSUYJOCSA-N 0 3 279.336 1.762 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1F ZINC000862428995 695812542 /nfs/dbraw/zinc/81/25/42/695812542.db2.gz ZFPTZVUWTAFKQM-CYBMUJFWSA-N 0 3 293.386 1.944 20 10 CDCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c([O-])c1 ZINC000793385968 695821809 /nfs/dbraw/zinc/82/18/09/695821809.db2.gz FFOQEDRTXDIZPY-UHFFFAOYSA-N 0 3 298.346 1.972 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC000817942370 695823867 /nfs/dbraw/zinc/82/38/67/695823867.db2.gz YCIYDHLWNWGYKK-PWSUYJOCSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817942370 695823868 /nfs/dbraw/zinc/82/38/68/695823868.db2.gz YCIYDHLWNWGYKK-PWSUYJOCSA-N 0 3 278.352 1.581 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1[O-] ZINC000720995265 695864183 /nfs/dbraw/zinc/86/41/83/695864183.db2.gz OLORWPILAOAQMF-JLIMDTESSA-N 0 3 271.744 1.915 20 10 CDCDHN C[C@H]([NH3+])CN(C)Cc1cc(Br)ccc1[O-] ZINC000389604250 695907388 /nfs/dbraw/zinc/90/73/88/695907388.db2.gz XAKRLHCFBKCNEX-QMMMGPOBSA-N 0 3 273.174 1.934 20 10 CDCDHN COc1ccc(N2CC[C@H](CNC(=O)C3(N)CC3)C2)cc1 ZINC000818613427 696014198 /nfs/dbraw/zinc/01/41/98/696014198.db2.gz OOGTVCYIKLEVTN-GFCCVEGCSA-N 0 3 289.379 1.129 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000877493425 696078629 /nfs/dbraw/zinc/07/86/29/696078629.db2.gz BELFOWUIEMUKBX-ZIAGYGMSSA-N 0 3 265.353 1.435 20 10 CDCDHN CC(=O)c1cc(F)cc(CN(C)[C@@H]2CC[NH2+]C2)c1[O-] ZINC000843351127 696097013 /nfs/dbraw/zinc/09/70/13/696097013.db2.gz FTQMWRAHOUFYOW-GFCCVEGCSA-N 0 3 266.316 1.528 20 10 CDCDHN [NH3+][C@@H]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001580388547 1172420496 /nfs/dbraw/zinc/42/04/96/1172420496.db2.gz LRMGPJVKQVEKRX-VHSXEESVSA-N 0 3 281.331 1.458 20 10 CDCDHN CCOc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)c([O-])c1 ZINC000846111820 724257882 /nfs/dbraw/zinc/25/78/82/724257882.db2.gz VZMFNPIEYYSUFZ-MRXNPFEDSA-N 0 3 295.379 1.812 20 10 CDCDHN COC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000877756449 724447221 /nfs/dbraw/zinc/44/72/21/724447221.db2.gz JCAZARCHPOSYHE-GFCCVEGCSA-N 0 3 292.379 1.680 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@@H]1OC ZINC000775978927 724447956 /nfs/dbraw/zinc/44/79/56/724447956.db2.gz PIBDSDALZOELRA-DFBGVHRSSA-N 0 3 281.352 1.683 20 10 CDCDHN Cc1cnc(CC[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000835062392 725488776 /nfs/dbraw/zinc/48/87/76/725488776.db2.gz TXTIETLSSMCRCD-UHFFFAOYSA-N 0 3 261.300 1.962 20 10 CDCDHN CC[C@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182406460 725918059 /nfs/dbraw/zinc/91/80/59/725918059.db2.gz GHZVKKBBGKSHFN-WDEREUQCSA-N 0 3 280.368 1.966 20 10 CDCDHN C[C@@H]1COCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834566321 724639437 /nfs/dbraw/zinc/63/94/37/724639437.db2.gz JTMJIDFZIQWFNI-OCCSQVGLSA-N 0 3 276.380 1.690 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893561 724675924 /nfs/dbraw/zinc/67/59/24/724675924.db2.gz GTGVQGKPTTWOAE-LLVKDONJSA-N 0 3 256.296 1.821 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000701687089 724686646 /nfs/dbraw/zinc/68/66/46/724686646.db2.gz HLDZYZBGLSDECK-LLVKDONJSA-N 0 3 264.325 1.667 20 10 CDCDHN NC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179564895 724735984 /nfs/dbraw/zinc/73/59/84/724735984.db2.gz JCVCQXRVYGAJBV-GFCCVEGCSA-N 0 3 262.353 1.870 20 10 CDCDHN NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179564895 724735990 /nfs/dbraw/zinc/73/59/90/724735990.db2.gz JCVCQXRVYGAJBV-GFCCVEGCSA-N 0 3 262.353 1.870 20 10 CDCDHN [O-]c1ccc(F)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229926 724747256 /nfs/dbraw/zinc/74/72/56/724747256.db2.gz IYHONMDRUUPOFN-UONOGXRCSA-N 0 3 250.317 1.906 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c([O-])c1 ZINC000704337408 723841039 /nfs/dbraw/zinc/84/10/39/723841039.db2.gz DDXCDMKZVXFMGU-YPMHNXCESA-N 0 3 262.353 1.972 20 10 CDCDHN CCC1(C[NH2+]Cc2c([O-])cccc2OC)COC1 ZINC000825072497 723894641 /nfs/dbraw/zinc/89/46/41/723894641.db2.gz GIXOUKLYEOAAGR-UHFFFAOYSA-N 0 3 251.326 1.917 20 10 CDCDHN CSCC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832652778 725052867 /nfs/dbraw/zinc/05/28/67/725052867.db2.gz GKQGLRZDVFLDNH-LBPRGKRZSA-N 0 3 267.398 1.008 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)c([O-])c1 ZINC000846093739 725066839 /nfs/dbraw/zinc/06/68/39/725066839.db2.gz QKINTVHYIBFNEN-LBPRGKRZSA-N 0 3 292.379 1.749 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]CC2(C)C)c1[O-] ZINC000843352491 725191906 /nfs/dbraw/zinc/19/19/06/725191906.db2.gz LPIAYASBFREHKZ-UHFFFAOYSA-N 0 3 280.343 1.918 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000879649586 725316441 /nfs/dbraw/zinc/31/64/41/725316441.db2.gz WSDMVPFIOSNVJR-NEPJUHHUSA-N 0 3 262.353 1.959 20 10 CDCDHN CCS(=O)(=O)CCCNCc1ccc2c(c1)CCCO2 ZINC000922183220 725368881 /nfs/dbraw/zinc/36/88/81/725368881.db2.gz BDCBUCOXXYAROV-UHFFFAOYSA-N 0 3 297.420 1.926 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCOC ZINC000884113265 725373939 /nfs/dbraw/zinc/37/39/39/725373939.db2.gz LFOQFGALUSBHTM-CYBMUJFWSA-N 0 3 280.368 1.495 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000922576215 725392792 /nfs/dbraw/zinc/39/27/92/725392792.db2.gz YNBFITONGKMISR-LBPRGKRZSA-N 0 3 250.342 1.585 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320077 725455470 /nfs/dbraw/zinc/45/54/70/725455470.db2.gz JDOGFVMHDJHUKM-GHMZBOCLSA-N 0 3 252.745 1.697 20 10 CDCDHN O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000848351915 725567179 /nfs/dbraw/zinc/56/71/79/725567179.db2.gz HOGUABJKHXNAPI-CHWSQXEVSA-N 0 3 290.363 1.845 20 10 CDCDHN O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000848351915 725567183 /nfs/dbraw/zinc/56/71/83/725567183.db2.gz HOGUABJKHXNAPI-CHWSQXEVSA-N 0 3 290.363 1.845 20 10 CDCDHN NC(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000226583742 725683425 /nfs/dbraw/zinc/68/34/25/725683425.db2.gz HQDUUXFBBNNZIH-UHFFFAOYSA-N 0 3 274.295 1.920 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CC2 ZINC001140056208 894772524 /nfs/dbraw/zinc/77/25/24/894772524.db2.gz MDKBWCHANDHBIC-LBPRGKRZSA-N 0 3 279.311 1.916 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CC2 ZINC001140056208 894772531 /nfs/dbraw/zinc/77/25/31/894772531.db2.gz MDKBWCHANDHBIC-LBPRGKRZSA-N 0 3 279.311 1.916 20 10 CDCDHN O=C1C[C@H](NCc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172010217 911097016 /nfs/dbraw/zinc/09/70/16/911097016.db2.gz WZNPCFKIXHKHCD-LLVKDONJSA-N 0 3 276.336 1.341 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180001 911439580 /nfs/dbraw/zinc/43/95/80/911439580.db2.gz QGDCHIXZUNPASO-ZIAGYGMSSA-N 0 3 274.364 1.977 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180001 911439586 /nfs/dbraw/zinc/43/95/86/911439586.db2.gz QGDCHIXZUNPASO-ZIAGYGMSSA-N 0 3 274.364 1.977 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@@H]1F ZINC001206174210 911904705 /nfs/dbraw/zinc/90/47/05/911904705.db2.gz MIQYWEPCUCWPRR-JQWIXIFHSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC[C@@H]1F ZINC001206174210 911904720 /nfs/dbraw/zinc/90/47/20/911904720.db2.gz MIQYWEPCUCWPRR-JQWIXIFHSA-N 0 3 274.286 1.932 20 10 CDCDHN [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001206403739 916004849 /nfs/dbraw/zinc/00/48/49/916004849.db2.gz JBFGNBFPLADKOE-QWRGUYRKSA-N 0 3 258.724 1.917 20 10 CDCDHN CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138129526 936476226 /nfs/dbraw/zinc/47/62/26/936476226.db2.gz JCCRNZLFCAKJAU-IUODEOHRSA-N 0 3 264.344 1.915 20 10 CDCDHN CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138129526 936476230 /nfs/dbraw/zinc/47/62/30/936476230.db2.gz JCCRNZLFCAKJAU-IUODEOHRSA-N 0 3 264.344 1.915 20 10 CDCDHN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001138129526 936476232 /nfs/dbraw/zinc/47/62/32/936476232.db2.gz JCCRNZLFCAKJAU-IUODEOHRSA-N 0 3 264.344 1.915 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715593400 919915552 /nfs/dbraw/zinc/91/55/52/919915552.db2.gz FNNHKOIRQIEQFI-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN COC(=O)CC[N@H+](Cc1ccc(OC)cc1[O-])C1CC1 ZINC001203634361 919943225 /nfs/dbraw/zinc/94/32/25/919943225.db2.gz BCYOAGVQGPWBOO-UHFFFAOYSA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)CC[N@@H+](Cc1ccc(OC)cc1[O-])C1CC1 ZINC001203634361 919943233 /nfs/dbraw/zinc/94/32/33/919943233.db2.gz BCYOAGVQGPWBOO-UHFFFAOYSA-N 0 3 279.336 1.928 20 10 CDCDHN CN(C)C(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162582 936823768 /nfs/dbraw/zinc/82/37/68/936823768.db2.gz WHNLJWXQZLVZON-UHFFFAOYSA-N 0 3 293.367 1.333 20 10 CDCDHN CN1CCC[C@@](C)(NC(=O)c2cccc(O)c2O)C1 ZINC001148224496 932672483 /nfs/dbraw/zinc/67/24/83/932672483.db2.gz NEXARCVHGOGCRP-CQSZACIVSA-N 0 3 264.325 1.312 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC001203560688 939693092 /nfs/dbraw/zinc/69/30/92/939693092.db2.gz GJTWUUNEJHYDRQ-ZDUSSCGKSA-N 0 3 265.309 1.156 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC001203560688 939693093 /nfs/dbraw/zinc/69/30/93/939693093.db2.gz GJTWUUNEJHYDRQ-ZDUSSCGKSA-N 0 3 265.309 1.156 20 10 CDCDHN CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000400252920 940845621 /nfs/dbraw/zinc/84/56/21/940845621.db2.gz OSDPLLRAIWBGSC-NEPJUHHUSA-N 0 3 296.392 1.003 20 10 CDCDHN CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000400252921 940845935 /nfs/dbraw/zinc/84/59/35/940845935.db2.gz OSDPLLRAIWBGSC-NWDGAFQWSA-N 0 3 296.392 1.003 20 10 CDCDHN CN(C)C(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277442663 942581041 /nfs/dbraw/zinc/58/10/41/942581041.db2.gz YQATYOJEZNLQLB-UHFFFAOYSA-N 0 3 260.337 1.493 20 10 CDCDHN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231453164 942897031 /nfs/dbraw/zinc/89/70/31/942897031.db2.gz CNWKGGKLPQUDON-CZUORRHYSA-N 0 3 290.363 1.474 20 10 CDCDHN CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231453164 942897039 /nfs/dbraw/zinc/89/70/39/942897039.db2.gz CNWKGGKLPQUDON-CZUORRHYSA-N 0 3 290.363 1.474 20 10 CDCDHN CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231453164 942897044 /nfs/dbraw/zinc/89/70/44/942897044.db2.gz CNWKGGKLPQUDON-CZUORRHYSA-N 0 3 290.363 1.474 20 10 CDCDHN COc1cc(CN2CC3(C2)CCOCC3)c(O)cc1O ZINC001231636000 942951815 /nfs/dbraw/zinc/95/18/15/942951815.db2.gz JFFOMPNAIZPFBN-UHFFFAOYSA-N 0 3 279.336 1.719 20 10 CDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)[C@@H]1C ZINC001233485902 943593962 /nfs/dbraw/zinc/59/39/62/943593962.db2.gz PQPQJVRSEWUACY-MWLCHTKSSA-N 0 3 295.335 1.577 20 10 CDCDHN CCOC(=O)CCN(C)Cc1cc(O)c(O)cc1O ZINC001233485894 943594481 /nfs/dbraw/zinc/59/44/81/943594481.db2.gz PHBHBMRTYFIICL-UHFFFAOYSA-N 0 3 269.297 1.188 20 10 CDCDHN [O-]c1ccc(F)c(Cl)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234994477 944001247 /nfs/dbraw/zinc/00/12/47/944001247.db2.gz XMOCERJQNZNIOA-CQSZACIVSA-N 0 3 299.777 1.322 20 10 CDCDHN NC(=O)C1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234997472 944004452 /nfs/dbraw/zinc/00/44/52/944004452.db2.gz ZZMXCBMEJMYEHK-UHFFFAOYSA-N 0 3 282.343 1.976 20 10 CDCDHN N[C@]12CC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984642 944350314 /nfs/dbraw/zinc/35/03/14/944350314.db2.gz ABDJINIXDHPFSP-RISCZKNCSA-N 0 3 262.309 1.014 20 10 CDCDHN N[C@]12CC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235984642 944350323 /nfs/dbraw/zinc/35/03/23/944350323.db2.gz ABDJINIXDHPFSP-RISCZKNCSA-N 0 3 262.309 1.014 20 10 CDCDHN CCc1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001236783314 944566097 /nfs/dbraw/zinc/56/60/97/944566097.db2.gz JYNHWOCSORGSKN-MRXNPFEDSA-N 0 3 290.407 1.861 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001236784680 944566544 /nfs/dbraw/zinc/56/65/44/944566544.db2.gz YIIUMBFCZNDIBE-CYBMUJFWSA-N 0 3 263.337 1.950 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001236784680 944566551 /nfs/dbraw/zinc/56/65/51/944566551.db2.gz YIIUMBFCZNDIBE-CYBMUJFWSA-N 0 3 263.337 1.950 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001236814392 944577862 /nfs/dbraw/zinc/57/78/62/944577862.db2.gz RNJMNKNUXBDOJN-LLVKDONJSA-N 0 3 251.326 1.523 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001236814392 944577864 /nfs/dbraw/zinc/57/78/64/944577864.db2.gz RNJMNKNUXBDOJN-LLVKDONJSA-N 0 3 251.326 1.523 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237495618 944816518 /nfs/dbraw/zinc/81/65/18/944816518.db2.gz SXJFFLKMZFHVOZ-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237495618 944816524 /nfs/dbraw/zinc/81/65/24/944816524.db2.gz SXJFFLKMZFHVOZ-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN COc1cc(CN2CCN(C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237678510 944922867 /nfs/dbraw/zinc/92/28/67/944922867.db2.gz OXYKQKJLVJBYTH-LLVKDONJSA-N 0 3 280.368 1.545 20 10 CDCDHN COc1cc(CN2CC(C)(N(C)C)C2)c(O)c(OC)c1 ZINC001237679763 944924590 /nfs/dbraw/zinc/92/45/90/944924590.db2.gz ZYFDCBQXIRXVAB-UHFFFAOYSA-N 0 3 280.368 1.545 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001237687293 944925885 /nfs/dbraw/zinc/92/58/85/944925885.db2.gz XDKPONRRXXSUFH-GXFFZTMASA-N 0 3 294.782 1.922 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001237687293 944925887 /nfs/dbraw/zinc/92/58/87/944925887.db2.gz XDKPONRRXXSUFH-GXFFZTMASA-N 0 3 294.782 1.922 20 10 CDCDHN C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001256324330 948271734 /nfs/dbraw/zinc/27/17/34/948271734.db2.gz RJFWAFYESHDONJ-CHWSQXEVSA-N 0 3 292.379 1.680 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([O-])c1 ZINC001308801941 956582460 /nfs/dbraw/zinc/58/24/60/956582460.db2.gz GOKSILNIYVGHLF-OAHLLOKOSA-N 0 3 278.352 1.468 20 10 CDCDHN Nc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC001335286216 959682145 /nfs/dbraw/zinc/68/21/45/959682145.db2.gz WNWRAMSCEFEDRQ-HNNXBMFYSA-N 0 3 273.380 1.856 20 10 CDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CN1 ZINC001336290218 960289168 /nfs/dbraw/zinc/28/91/68/960289168.db2.gz KCUWQIFZBHBZCU-MNOVXSKESA-N 0 3 262.357 1.161 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295141707 199368445 /nfs/dbraw/zinc/36/84/45/199368445.db2.gz ZTZGDLBKLZEVJQ-PWSUYJOCSA-N 0 3 251.326 1.651 20 10 CDCDHN C[N@H+](CCN1CCOCC1)Cc1cc(F)ccc1[O-] ZINC000180059922 357240891 /nfs/dbraw/zinc/24/08/91/357240891.db2.gz VQMBWABRBUCZGR-UHFFFAOYSA-N 0 3 268.332 1.295 20 10 CDCDHN C[N@@H+](CCN1CCOCC1)Cc1cc(F)ccc1[O-] ZINC000180059922 357240895 /nfs/dbraw/zinc/24/08/95/357240895.db2.gz VQMBWABRBUCZGR-UHFFFAOYSA-N 0 3 268.332 1.295 20 10 CDCDHN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000179904379 357230091 /nfs/dbraw/zinc/23/00/91/357230091.db2.gz OVXZUIFGCHNTET-LLVKDONJSA-N 0 3 283.393 1.868 20 10 CDCDHN CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180882419 357292479 /nfs/dbraw/zinc/29/24/79/357292479.db2.gz JZYPBUDSQNKWLM-GQCTYLIASA-N 0 3 276.336 1.275 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000188735319 357932278 /nfs/dbraw/zinc/93/22/78/357932278.db2.gz ZOCUBDWNBNOYRX-CQSZACIVSA-N 0 3 277.412 1.251 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000191186371 358118084 /nfs/dbraw/zinc/11/80/84/358118084.db2.gz ZRNBYJHVHXFXIO-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000191186371 358118086 /nfs/dbraw/zinc/11/80/86/358118086.db2.gz ZRNBYJHVHXFXIO-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c([O-])c1 ZINC000191734130 358149496 /nfs/dbraw/zinc/14/94/96/358149496.db2.gz RXVHUWNYRPXJQH-NSHDSACASA-N 0 3 280.368 1.747 20 10 CDCDHN Cc1cc(Br)cc(C[N@H+](C)CCO)c1[O-] ZINC000132473381 358560058 /nfs/dbraw/zinc/56/00/58/358560058.db2.gz WFXKLRHAAMIDEA-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN Cc1cc(Br)cc(C[N@@H+](C)CCO)c1[O-] ZINC000132473381 358560061 /nfs/dbraw/zinc/56/00/61/358560061.db2.gz WFXKLRHAAMIDEA-UHFFFAOYSA-N 0 3 274.158 1.887 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)N)cc1F ZINC000167741567 364947498 /nfs/dbraw/zinc/94/74/98/364947498.db2.gz HZIQQARRVPDBGG-JTQLQIEISA-N 0 3 267.348 1.635 20 10 CDCDHN C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282864728 368075447 /nfs/dbraw/zinc/07/54/47/368075447.db2.gz UVUZCYJAURFEEM-NEPJUHHUSA-N 0 3 281.375 1.877 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c([O-])c1 ZINC000294860357 371098973 /nfs/dbraw/zinc/09/89/73/371098973.db2.gz SXZAQXSTXIMVOB-CYBMUJFWSA-N 0 3 292.379 1.518 20 10 CDCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000295116481 371131884 /nfs/dbraw/zinc/13/18/84/371131884.db2.gz VVKBHVIKENWXFP-AWEZNQCLSA-N 0 3 264.369 1.985 20 10 CDCDHN C[S@@](=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296573555 371442699 /nfs/dbraw/zinc/44/26/99/371442699.db2.gz VHCWIHLQSHVPQJ-ADLMAVQZSA-N 0 3 265.378 1.880 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@@]1(F)CCNC1 ZINC000370798106 390516123 /nfs/dbraw/zinc/51/61/23/390516123.db2.gz IMIKEQRZKILTFI-CYBMUJFWSA-N 0 3 252.289 1.052 20 10 CDCDHN CCOc1cccc(CN2CCCN(C(N)=O)CC2)c1O ZINC000092754107 390896573 /nfs/dbraw/zinc/89/65/73/390896573.db2.gz BVNFETSZPLOJOJ-UHFFFAOYSA-N 0 3 293.367 1.377 20 10 CDCDHN CC(C)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000297002649 391063519 /nfs/dbraw/zinc/06/35/19/391063519.db2.gz SUPDBABVRGRJES-STQMWFEESA-N 0 3 274.364 1.978 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000373739382 391130119 /nfs/dbraw/zinc/13/01/19/391130119.db2.gz XFYHGNGIIRHNGN-CORIIIEPSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000373739382 391130122 /nfs/dbraw/zinc/13/01/22/391130122.db2.gz XFYHGNGIIRHNGN-CORIIIEPSA-N 0 3 274.364 1.786 20 10 CDCDHN CNC(=O)CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271146190 391289034 /nfs/dbraw/zinc/28/90/34/391289034.db2.gz HQXDFTZGKRWIHW-UHFFFAOYSA-N 0 3 267.348 1.460 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195008151 391374236 /nfs/dbraw/zinc/37/42/36/391374236.db2.gz RBTOWCASOPMXHD-PRHODGIISA-N 0 3 298.770 1.668 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c([O-])c1 ZINC000020128529 171015504 /nfs/dbraw/zinc/01/55/04/171015504.db2.gz QXBLIOXHCWUGRD-OAHLLOKOSA-N 0 3 291.439 1.989 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060297 174070957 /nfs/dbraw/zinc/07/09/57/174070957.db2.gz REUJDEVGAMGEQX-ZYHUDNBSSA-N 0 3 267.325 1.467 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC2(C)OCCO2)c1 ZINC000186211681 262084761 /nfs/dbraw/zinc/08/47/61/262084761.db2.gz XSIPPWRIAQPBAA-JTQLQIEISA-N 0 3 267.325 1.814 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211681 262084762 /nfs/dbraw/zinc/08/47/62/262084762.db2.gz XSIPPWRIAQPBAA-JTQLQIEISA-N 0 3 267.325 1.814 20 10 CDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000186530690 262097580 /nfs/dbraw/zinc/09/75/80/262097580.db2.gz CFPPDKRRGKLTRJ-PCAWENJQSA-N 0 3 251.326 1.818 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1OC ZINC000272529804 263005819 /nfs/dbraw/zinc/00/58/19/263005819.db2.gz AYRYDNFYMLKIOJ-YUELXQCFSA-N 0 3 281.352 1.683 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180253691 264394731 /nfs/dbraw/zinc/39/47/31/264394731.db2.gz AAVOPJDYFCCKFR-VIFPVBQESA-N 0 3 254.305 1.345 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180253691 264394733 /nfs/dbraw/zinc/39/47/33/264394733.db2.gz AAVOPJDYFCCKFR-VIFPVBQESA-N 0 3 254.305 1.345 20 10 CDCDHN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000280900044 328236868 /nfs/dbraw/zinc/23/68/68/328236868.db2.gz PROYVQQRHZGBOH-QJPTWQEYSA-N 0 3 283.343 1.827 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000188496646 329369445 /nfs/dbraw/zinc/36/94/45/329369445.db2.gz MAGZVHDHXFJZHC-WDEREUQCSA-N 0 3 250.342 1.910 20 10 CDCDHN CCCOc1ccc(C[N@H+](C)C[C@H](C)O)c([O-])c1 ZINC000130803642 520345433 /nfs/dbraw/zinc/34/54/33/520345433.db2.gz QPYWTLAFSSUQOE-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCCOc1ccc(C[N@@H+](C)C[C@H](C)O)c([O-])c1 ZINC000130803642 520345439 /nfs/dbraw/zinc/34/54/39/520345439.db2.gz QPYWTLAFSSUQOE-NSHDSACASA-N 0 3 253.342 1.994 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@]1(F)CCNC1 ZINC000363750651 521689042 /nfs/dbraw/zinc/68/90/42/521689042.db2.gz NUTACOVRFNVAKP-OAHLLOKOSA-N 0 3 280.343 1.832 20 10 CDCDHN CC[C@@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000126437368 521806031 /nfs/dbraw/zinc/80/60/31/521806031.db2.gz HRIAORDBGCWLQH-LBPRGKRZSA-N 0 3 250.342 1.691 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000279793478 522199669 /nfs/dbraw/zinc/19/96/69/522199669.db2.gz VGTDORZNFKVMLD-INIZCTEOSA-N 0 3 287.407 1.996 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000280302042 522708330 /nfs/dbraw/zinc/70/83/30/522708330.db2.gz ZYHBAZSQXBRYFN-YPMHNXCESA-N 0 3 262.353 1.972 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000290868846 524009851 /nfs/dbraw/zinc/00/98/51/524009851.db2.gz KCHHZFTZASVWCL-RYUDHWBXSA-N 0 3 271.744 1.857 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](CCO)C2CCC2)c1 ZINC000275945560 524738430 /nfs/dbraw/zinc/73/84/30/524738430.db2.gz IUFZJLHOUXTFMT-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](CCO)C2CCC2)c1 ZINC000275945560 524738436 /nfs/dbraw/zinc/73/84/36/524738436.db2.gz IUFZJLHOUXTFMT-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292791915 525338799 /nfs/dbraw/zinc/33/87/99/525338799.db2.gz MOEXMACMYSOAAL-ZDUSSCGKSA-N 0 3 298.408 1.166 20 10 CDCDHN O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000290568490 527303974 /nfs/dbraw/zinc/30/39/74/527303974.db2.gz SXLCHSPXMGDOJM-SNVBAGLBSA-N 0 3 287.356 1.446 20 10 CDCDHN CCOc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)c([O-])c1 ZINC000727644125 574592756 /nfs/dbraw/zinc/59/27/56/574592756.db2.gz HESSNIKXNGDJKS-UHFFFAOYSA-N 0 3 292.379 1.891 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C(C)C ZINC000732817754 575097294 /nfs/dbraw/zinc/09/72/94/575097294.db2.gz KCXZSIIQTFYXEM-CQSZACIVSA-N 0 3 253.342 1.897 20 10 CDCDHN CCN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1 ZINC000773829316 575839971 /nfs/dbraw/zinc/83/99/71/575839971.db2.gz AUTKBSLNVNTVPZ-MRXNPFEDSA-N 0 3 278.396 1.726 20 10 CDCDHN COC(=O)C[C@@]1(NCc2ccc(OC)c(C)c2)CCOC1 ZINC000766469109 576105089 /nfs/dbraw/zinc/10/50/89/576105089.db2.gz NQNZFFKYQJUQKQ-INIZCTEOSA-N 0 3 293.363 1.815 20 10 CDCDHN COC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000746755730 576790684 /nfs/dbraw/zinc/79/06/84/576790684.db2.gz STSLRDHRKUCAFY-UHFFFAOYSA-N 0 3 295.335 1.406 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(F)ccc1[O-] ZINC000756511987 576993218 /nfs/dbraw/zinc/99/32/18/576993218.db2.gz UKFBWYLWHJMVCY-MFKMUULPSA-N 0 3 283.343 1.969 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000759174002 577157306 /nfs/dbraw/zinc/15/73/06/577157306.db2.gz SVOXJLYXRBBGSX-ZFWWWQNUSA-N 0 3 265.353 1.984 20 10 CDCDHN CON(C)C(=O)CNCc1cc(C)c(C)cc1O ZINC000895041453 619218820 /nfs/dbraw/zinc/21/88/20/619218820.db2.gz UMIOJRZYXBSTBS-UHFFFAOYSA-N 0 3 252.314 1.118 20 10 CDCDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(C)cc1[O-] ZINC000896616990 620167045 /nfs/dbraw/zinc/16/70/45/620167045.db2.gz HAODWQMJIAGWNE-OAHLLOKOSA-N 0 3 278.396 1.901 20 10 CDCDHN [NH3+]Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000125934589 1175422146 /nfs/dbraw/zinc/42/21/46/1175422146.db2.gz CNZDQHYIGRXKSF-UHFFFAOYSA-N 0 3 258.277 1.809 20 10 CDCDHN C[C@H](NCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817934610 727084424 /nfs/dbraw/zinc/08/44/24/727084424.db2.gz LHQGEUVFOMKNEK-LURJTMIESA-N 0 3 277.137 1.903 20 10 CDCDHN COc1c([O-])c(CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000809729914 726008890 /nfs/dbraw/zinc/00/88/90/726008890.db2.gz SMVGZTRAOJMFBQ-UHFFFAOYSA-N 0 3 297.355 1.693 20 10 CDCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536903 726009204 /nfs/dbraw/zinc/00/92/04/726009204.db2.gz SQZUAYPFZRZCFQ-DOMZBBRYSA-N 0 3 291.395 1.438 20 10 CDCDHN CCNC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877085575 726133368 /nfs/dbraw/zinc/13/33/68/726133368.db2.gz KRQMZBFNCKVEKT-GFCCVEGCSA-N 0 3 277.368 1.594 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(c3nccn3C)CC2)c1 ZINC000827891284 726200494 /nfs/dbraw/zinc/20/04/94/726200494.db2.gz GGBJNYKJTFKDNZ-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN COc1cccc([C@@H](C)NCCS(C)(=O)=O)c1O ZINC000846141520 726226073 /nfs/dbraw/zinc/22/60/73/726226073.db2.gz KXDSYORTIKHKPP-SECBINFHSA-N 0 3 273.354 1.096 20 10 CDCDHN COC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])n1C ZINC000873035803 726293191 /nfs/dbraw/zinc/29/31/91/726293191.db2.gz OXYDXOZEDAKFAM-UHFFFAOYSA-N 0 3 274.320 1.807 20 10 CDCDHN CN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000704346660 726830772 /nfs/dbraw/zinc/83/07/72/726830772.db2.gz YSIMYHJDFUVKGC-VXGBXAGGSA-N 0 3 260.337 1.590 20 10 CDCDHN C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000886667938 726842993 /nfs/dbraw/zinc/84/29/93/726842993.db2.gz KXZMAUIBFZZNQN-AVGNSLFASA-N 0 3 265.353 1.973 20 10 CDCDHN C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000858548850 726877385 /nfs/dbraw/zinc/87/73/85/726877385.db2.gz QAMYAYAMWRSXNG-ZYHUDNBSSA-N 0 3 268.332 1.249 20 10 CDCDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000164688168 727002231 /nfs/dbraw/zinc/00/22/31/727002231.db2.gz PFRHIBRQKJXLBL-LLVKDONJSA-N 0 3 256.733 1.205 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccccc1[O-] ZINC000717355556 727004829 /nfs/dbraw/zinc/00/48/29/727004829.db2.gz VJEZKOXBXKKGOW-WCQYABFASA-N 0 3 252.358 1.355 20 10 CDCDHN COc1c([O-])c(CN2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843108361 727089671 /nfs/dbraw/zinc/08/96/71/727089671.db2.gz SFTSCGRWCCQPGS-UHFFFAOYSA-N 0 3 295.339 1.622 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000834897966 727293481 /nfs/dbraw/zinc/29/34/81/727293481.db2.gz XSULCXBUFYLBEX-UGKPPGOTSA-N 0 3 267.300 1.429 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCCOCC1)c1ccccc1[O-] ZINC000812830831 727305813 /nfs/dbraw/zinc/30/58/13/727305813.db2.gz XVMSNZMPSTYNHL-CYBMUJFWSA-N 0 3 264.369 1.765 20 10 CDCDHN COC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877633370 727369953 /nfs/dbraw/zinc/36/99/53/727369953.db2.gz JAYFERZMGAMCLC-UHFFFAOYSA-N 0 3 252.314 1.488 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877046010 727394826 /nfs/dbraw/zinc/39/48/26/727394826.db2.gz GVTIDNZNDLBHEL-AWEZNQCLSA-N 0 3 264.369 1.511 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(F)ccc1[O-] ZINC000094617264 727857683 /nfs/dbraw/zinc/85/76/83/727857683.db2.gz NPTJOIUWQJREFA-SKDRFNHKSA-N 0 3 266.316 1.851 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000839195594 727867832 /nfs/dbraw/zinc/86/78/32/727867832.db2.gz LGPRAEVZJVIZDH-SECBINFHSA-N 0 3 298.770 1.670 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1[O-] ZINC000843362683 727873599 /nfs/dbraw/zinc/87/35/99/727873599.db2.gz NPFXUSHNUFQARO-GXSJLCMTSA-N 0 3 280.343 1.903 20 10 CDCDHN COc1cccc(O)c1CNC[C@@H]1CCCCS1(=O)=O ZINC000784621382 727931134 /nfs/dbraw/zinc/93/11/34/727931134.db2.gz OYYLCRAGMCTFIV-NSHDSACASA-N 0 3 299.392 1.458 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CC2(CO)CC2)c1[O-] ZINC000228675884 727976020 /nfs/dbraw/zinc/97/60/20/727976020.db2.gz QFWLJBONZZJFFR-UHFFFAOYSA-N 0 3 271.744 1.916 20 10 CDCDHN COCC(COC)NCc1ccc(N(C)C)cc1 ZINC000388390506 728091370 /nfs/dbraw/zinc/09/13/70/728091370.db2.gz BPHKDWRZYRZKFP-UHFFFAOYSA-N 0 3 252.358 1.504 20 10 CDCDHN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000817411525 728134730 /nfs/dbraw/zinc/13/47/30/728134730.db2.gz TXKBYYMNKRUNGW-XYPYZODXSA-N 0 3 280.343 1.913 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000220318389 728232758 /nfs/dbraw/zinc/23/27/58/728232758.db2.gz IIMQHHHFGHSVAB-OLZOCXBDSA-N 0 3 250.317 1.858 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(F)cc1[O-] ZINC000717368894 728359815 /nfs/dbraw/zinc/35/98/15/728359815.db2.gz ULRXMHIKVKZHEE-ONGXEEELSA-N 0 3 256.321 1.104 20 10 CDCDHN C[C@@H]([NH3+])[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132626042 728375669 /nfs/dbraw/zinc/37/56/69/728375669.db2.gz GMZRGJMKAGHYHO-NOZJJQNGSA-N 0 3 270.760 1.594 20 10 CDCDHN Cc1ccc(CN2CCN(C3COC3)CC2)c(O)c1 ZINC001140948691 898964792 /nfs/dbraw/zinc/96/47/92/898964792.db2.gz VUMYWRUGFHLCKU-UHFFFAOYSA-N 0 3 262.353 1.217 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001140057820 936675207 /nfs/dbraw/zinc/67/52/07/936675207.db2.gz OSEWGJCHSBQNPO-CYBMUJFWSA-N 0 3 281.327 1.647 20 10 CDCDHN CCN1CCN(Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032385 936795948 /nfs/dbraw/zinc/79/59/48/936795948.db2.gz AEKCVXVPFZNCHF-GFCCVEGCSA-N 0 3 294.395 1.935 20 10 CDCDHN Nc1ccc(CNc2cc3c(nn2)CCNC3)cc1 ZINC001162786179 923072381 /nfs/dbraw/zinc/07/23/81/923072381.db2.gz SJHOCMMEMMIZOA-UHFFFAOYSA-N 0 3 255.325 1.317 20 10 CDCDHN CC(=O)N(C)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162451 936822874 /nfs/dbraw/zinc/82/28/74/936822874.db2.gz RXPXYSGAYRYJNH-LBPRGKRZSA-N 0 3 264.325 1.150 20 10 CDCDHN CCOc1ccc(C[NH2+]CCO[C@H]2CCOC2)c([O-])c1 ZINC000922939285 923374295 /nfs/dbraw/zinc/37/42/95/923374295.db2.gz NQBUHAOWTNOALC-AWEZNQCLSA-N 0 3 281.352 1.686 20 10 CDCDHN C[C@H]1CCN(CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001152574564 937371332 /nfs/dbraw/zinc/37/13/32/937371332.db2.gz YIDSVLWWCXZIEU-NSHDSACASA-N 0 3 260.337 1.576 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001203620414 939696561 /nfs/dbraw/zinc/69/65/61/939696561.db2.gz FBEQFMYXKKPFDE-AAEUAGOBSA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001203620414 939696563 /nfs/dbraw/zinc/69/65/63/939696563.db2.gz FBEQFMYXKKPFDE-AAEUAGOBSA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(CN2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001203620414 939696564 /nfs/dbraw/zinc/69/65/64/939696564.db2.gz FBEQFMYXKKPFDE-AAEUAGOBSA-N 0 3 255.289 1.306 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203621691 939697084 /nfs/dbraw/zinc/69/70/84/939697084.db2.gz YXJLEFFSXKQOGJ-NSHDSACASA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203621691 939697085 /nfs/dbraw/zinc/69/70/85/939697085.db2.gz YXJLEFFSXKQOGJ-NSHDSACASA-N 0 3 265.309 1.396 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001203620942 939697167 /nfs/dbraw/zinc/69/71/67/939697167.db2.gz KJHJPVFIVKNJDG-CQSZACIVSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001203620942 939697169 /nfs/dbraw/zinc/69/71/69/939697169.db2.gz KJHJPVFIVKNJDG-CQSZACIVSA-N 0 3 251.326 1.605 20 10 CDCDHN CC[N@H+](CCN1CCOCC1)Cc1ccc(O)cc1[O-] ZINC001204278799 939751063 /nfs/dbraw/zinc/75/10/63/939751063.db2.gz JZGKKQISNUDKKP-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN CC[N@@H+](CCN1CCOCC1)Cc1ccc(O)cc1[O-] ZINC001204278799 939751067 /nfs/dbraw/zinc/75/10/67/939751067.db2.gz JZGKKQISNUDKKP-UHFFFAOYSA-N 0 3 280.368 1.252 20 10 CDCDHN O=C1OCCN1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204279294 939752354 /nfs/dbraw/zinc/75/23/54/939752354.db2.gz WCYSCMUXRRHCAD-UHFFFAOYSA-N 0 3 292.335 1.514 20 10 CDCDHN N[C@H](C(=O)NCc1ccccc1O)C1Cc2ccccc2C1 ZINC001219923668 941396597 /nfs/dbraw/zinc/39/65/97/941396597.db2.gz WLCLPMCCXYODOZ-KRWDZBQOSA-N 0 3 296.370 1.751 20 10 CDCDHN CN1CC2(C1)CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276830178 941595562 /nfs/dbraw/zinc/59/55/62/941595562.db2.gz IFXMKHPMIXYHCS-UHFFFAOYSA-N 0 3 278.352 1.331 20 10 CDCDHN NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192794 942156527 /nfs/dbraw/zinc/15/65/27/942156527.db2.gz TYPOYCGOSVRWSR-LBPRGKRZSA-N 0 3 276.336 1.185 20 10 CDCDHN O=C(NCC(F)F)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441155 942576386 /nfs/dbraw/zinc/57/63/86/942576386.db2.gz ICIUWRFCICEOFV-LLVKDONJSA-N 0 3 296.317 1.595 20 10 CDCDHN CCOC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485670 943593471 /nfs/dbraw/zinc/59/34/71/943593471.db2.gz GILPLIUVESHEOH-VIFPVBQESA-N 0 3 281.308 1.188 20 10 CDCDHN CC1(C)CN(Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233485848 943593912 /nfs/dbraw/zinc/59/39/12/943593912.db2.gz NGGWJTDWJBNYNE-UHFFFAOYSA-N 0 3 267.325 1.804 20 10 CDCDHN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])C[C@@H](O)CO ZINC001235003709 944005742 /nfs/dbraw/zinc/00/57/42/944005742.db2.gz XDTIWOAXZHEOFS-OAHLLOKOSA-N 0 3 287.359 1.844 20 10 CDCDHN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])C[C@@H](O)CO ZINC001235003709 944005750 /nfs/dbraw/zinc/00/57/50/944005750.db2.gz XDTIWOAXZHEOFS-OAHLLOKOSA-N 0 3 287.359 1.844 20 10 CDCDHN COc1cc(O)c(CN2CCN3CC[C@@H]3C2)cc1OC ZINC001236751102 944558015 /nfs/dbraw/zinc/55/80/15/944558015.db2.gz CDOOXHLHYFPUFX-GFCCVEGCSA-N 0 3 278.352 1.299 20 10 CDCDHN Oc1cc2c(ncnc2-c2ccc(N3CCOCC3)cc2)[nH]1 ZINC001240756866 946018491 /nfs/dbraw/zinc/01/84/91/946018491.db2.gz RMZWGDIHSCOROC-UHFFFAOYSA-N 0 3 296.330 1.195 20 10 CDCDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2ccc(N)cc2)CN1 ZINC001246172457 948008415 /nfs/dbraw/zinc/00/84/15/948008415.db2.gz RRZDMFNZVVPCSQ-KGLIPLIRSA-N 0 3 291.395 1.431 20 10 CDCDHN CCOC(=O)N1CC[C@H](N2CCc3cccc(O)c3C2)C1 ZINC001256038892 948175585 /nfs/dbraw/zinc/17/55/85/948175585.db2.gz XKZGUTUVBOEGMU-ZDUSSCGKSA-N 0 3 290.363 1.981 20 10 CDCDHN C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001256324344 948271479 /nfs/dbraw/zinc/27/14/79/948271479.db2.gz RJFWAFYESHDONJ-STQMWFEESA-N 0 3 292.379 1.680 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001326560099 954432830 /nfs/dbraw/zinc/43/28/30/954432830.db2.gz CKMGGVHTNYAFDS-AWEZNQCLSA-N 0 3 279.380 1.907 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1OC ZINC001321868626 959994010 /nfs/dbraw/zinc/99/40/10/959994010.db2.gz SDUINWVGTLBBMX-PWSUYJOCSA-N 0 3 279.336 1.832 20 10 CDCDHN CN(C)c1ccc(C[N@H+]2CCCNC[C@H]2C(=O)[O-])cc1 ZINC001606054299 1163756856 /nfs/dbraw/zinc/75/68/56/1163756856.db2.gz RNTMANHSUGMNMS-AWEZNQCLSA-N 0 3 277.368 1.001 20 10 CDCDHN COc1ccc(O)c(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000180066935 357240923 /nfs/dbraw/zinc/24/09/23/357240923.db2.gz UFQULLHDBWGEPJ-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000180681360 357282711 /nfs/dbraw/zinc/28/27/11/357282711.db2.gz ZLLJCIQBMNUXRH-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000180681360 357282717 /nfs/dbraw/zinc/28/27/17/357282717.db2.gz ZLLJCIQBMNUXRH-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000188824634 357941209 /nfs/dbraw/zinc/94/12/09/357941209.db2.gz JUZMCZXYZUNKSR-CYBMUJFWSA-N 0 3 269.316 1.769 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000188824634 357941215 /nfs/dbraw/zinc/94/12/15/357941215.db2.gz JUZMCZXYZUNKSR-CYBMUJFWSA-N 0 3 269.316 1.769 20 10 CDCDHN COCCO[C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000188826136 357941365 /nfs/dbraw/zinc/94/13/65/357941365.db2.gz QLKBCEXGWBZTCX-ZDUSSCGKSA-N 0 3 281.352 1.638 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCC[C@H]1CCO)OCO2 ZINC000189933008 358046107 /nfs/dbraw/zinc/04/61/07/358046107.db2.gz BBTNVYOUJFVZQZ-JQWIXIFHSA-N 0 3 279.336 1.762 20 10 CDCDHN CCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020092042 358324799 /nfs/dbraw/zinc/32/47/99/358324799.db2.gz SESPTDWOOCYTJT-CYBMUJFWSA-N 0 3 264.369 1.975 20 10 CDCDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875392 364106996 /nfs/dbraw/zinc/10/69/96/364106996.db2.gz ISQXFGSMGPHLMU-MLGOLLRUSA-N 0 3 288.395 1.870 20 10 CDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](O)C2)c1 ZINC000271028736 364881311 /nfs/dbraw/zinc/88/13/11/364881311.db2.gz XKVPOOHLRWQKIU-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000271028736 364881320 /nfs/dbraw/zinc/88/13/20/364881320.db2.gz XKVPOOHLRWQKIU-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000271028736 364881327 /nfs/dbraw/zinc/88/13/27/364881327.db2.gz XKVPOOHLRWQKIU-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000271093900 364917871 /nfs/dbraw/zinc/91/78/71/364917871.db2.gz LTNCFEKPDIGKJP-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000271093900 364917877 /nfs/dbraw/zinc/91/78/77/364917877.db2.gz LTNCFEKPDIGKJP-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000281201349 367603918 /nfs/dbraw/zinc/60/39/18/367603918.db2.gz SABPLGNYZOWUDR-NWDGAFQWSA-N 0 3 253.342 1.667 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281145222 367595337 /nfs/dbraw/zinc/59/53/37/367595337.db2.gz FCTUKRPYRGEELX-NEPJUHHUSA-N 0 3 292.335 1.331 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281145222 367595345 /nfs/dbraw/zinc/59/53/45/367595345.db2.gz FCTUKRPYRGEELX-NEPJUHHUSA-N 0 3 292.335 1.331 20 10 CDCDHN COc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281145222 367595348 /nfs/dbraw/zinc/59/53/48/367595348.db2.gz FCTUKRPYRGEELX-NEPJUHHUSA-N 0 3 292.335 1.331 20 10 CDCDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000291674818 370292203 /nfs/dbraw/zinc/29/22/03/370292203.db2.gz GYDRQXRMRLHCNP-JTQLQIEISA-N 0 3 267.329 1.588 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000294063187 378623994 /nfs/dbraw/zinc/62/39/94/378623994.db2.gz XWVAUCFCNBARPG-OLZOCXBDSA-N 0 3 251.326 1.330 20 10 CDCDHN Cc1cc(CN2CCOC[C@H](O)C2)ccc1N(C)C ZINC000295620654 378689134 /nfs/dbraw/zinc/68/91/34/378689134.db2.gz OJODHZTZZNLHIL-CQSZACIVSA-N 0 3 264.369 1.254 20 10 CDCDHN CCCN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000131694075 390869045 /nfs/dbraw/zinc/86/90/45/390869045.db2.gz WPJXIMUTLXPLGA-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1 ZINC000093361212 390901994 /nfs/dbraw/zinc/90/19/94/390901994.db2.gz ZPPHFHBNWVJDQR-LBPRGKRZSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)NC)C2)c1 ZINC000093361212 390901997 /nfs/dbraw/zinc/90/19/97/390901997.db2.gz ZPPHFHBNWVJDQR-LBPRGKRZSA-N 0 3 292.379 1.749 20 10 CDCDHN CN(C)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000097928235 391237792 /nfs/dbraw/zinc/23/77/92/391237792.db2.gz OUHLAVZSEBGPOV-UHFFFAOYSA-N 0 3 278.352 1.695 20 10 CDCDHN CCN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272510505 391314348 /nfs/dbraw/zinc/31/43/48/391314348.db2.gz UPJMRKGNTUSJEL-GQCTYLIASA-N 0 3 290.363 1.712 20 10 CDCDHN COc1cccc(CNC[C@@H](O)C(F)(F)F)c1O ZINC000227439270 392017850 /nfs/dbraw/zinc/01/78/50/392017850.db2.gz MVRDRYKPCGMCTC-SECBINFHSA-N 0 3 265.231 1.414 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933061 260052213 /nfs/dbraw/zinc/05/22/13/260052213.db2.gz PBIGFZKVTDMASS-STQMWFEESA-N 0 3 294.395 1.772 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000155030105 261097298 /nfs/dbraw/zinc/09/72/98/261097298.db2.gz PORJMKGNSKHKNS-CYBMUJFWSA-N 0 3 292.379 1.878 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000155030105 261097299 /nfs/dbraw/zinc/09/72/99/261097299.db2.gz PORJMKGNSKHKNS-CYBMUJFWSA-N 0 3 292.379 1.878 20 10 CDCDHN CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccccc1[O-] ZINC000186290436 262087941 /nfs/dbraw/zinc/08/79/41/262087941.db2.gz IGCPNXXGIGZERP-LBPRGKRZSA-N 0 3 264.325 1.884 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185467238 262304997 /nfs/dbraw/zinc/30/49/97/262304997.db2.gz KUIUMFHEWBPUMN-IAQYHMDHSA-N 0 3 283.368 1.839 20 10 CDCDHN CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297704451 277101761 /nfs/dbraw/zinc/10/17/61/277101761.db2.gz MNNHOLIODUWJDY-UONOGXRCSA-N 0 3 275.396 1.215 20 10 CDCDHN CC[C@@](C)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134472361 334091415 /nfs/dbraw/zinc/09/14/15/334091415.db2.gz VGHUHYWRBIYFRF-AWEZNQCLSA-N 0 3 267.325 1.762 20 10 CDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C ZINC000134493388 334092137 /nfs/dbraw/zinc/09/21/37/334092137.db2.gz NROSYMYITLSBJJ-VIFPVBQESA-N 0 3 294.351 1.514 20 10 CDCDHN CCCN(CC(N)=O)Cc1cccc(CC)c1O ZINC000821982355 1161925218 /nfs/dbraw/zinc/92/52/18/1161925218.db2.gz JPPXLRXZHOOEHY-UHFFFAOYSA-N 0 3 250.342 1.652 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000278575965 520365415 /nfs/dbraw/zinc/36/54/15/520365415.db2.gz FEAJQRIOXLPWMG-LRDDRELGSA-N 0 3 295.379 1.811 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280370600 521146675 /nfs/dbraw/zinc/14/66/75/521146675.db2.gz VEZYMZMYGVTRNV-OAHLLOKOSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280370600 521146686 /nfs/dbraw/zinc/14/66/86/521146686.db2.gz VEZYMZMYGVTRNV-OAHLLOKOSA-N 0 3 278.352 1.488 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281003988 522306158 /nfs/dbraw/zinc/30/61/58/522306158.db2.gz NTPMXMZAVHRNPH-BXUZGUMPSA-N 0 3 279.380 1.929 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279763796 523382292 /nfs/dbraw/zinc/38/22/92/523382292.db2.gz FDOCIMSZDARCRL-AWEZNQCLSA-N 0 3 274.364 1.977 20 10 CDCDHN COCCN(CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC000289543840 523697370 /nfs/dbraw/zinc/69/73/70/523697370.db2.gz XAJITYNRMVDPQZ-UHFFFAOYSA-N 0 3 279.428 1.763 20 10 CDCDHN COCCN(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000130887777 523705249 /nfs/dbraw/zinc/70/52/49/523705249.db2.gz FPLOMWRGFGIOGT-UHFFFAOYSA-N 0 3 270.348 1.332 20 10 CDCDHN Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000131189443 524379916 /nfs/dbraw/zinc/37/99/16/524379916.db2.gz USEVQYNFGDPVQX-APPDUMDISA-N 0 3 255.383 1.899 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(C)C)c1 ZINC000036781581 524760171 /nfs/dbraw/zinc/76/01/71/524760171.db2.gz NNXBPWGCPMKSMS-SNVBAGLBSA-N 0 3 266.341 1.576 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CCCc2cnn(C)n2)cc1C ZINC000292910659 525322634 /nfs/dbraw/zinc/32/26/34/525322634.db2.gz HHEGZBGMVFWTAP-UHFFFAOYSA-N 0 3 274.368 1.860 20 10 CDCDHN C[S@](=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000282279910 525381081 /nfs/dbraw/zinc/38/10/81/525381081.db2.gz IBVHNQRNXCEXQY-SFHVURJKSA-N 0 3 265.378 1.622 20 10 CDCDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083401 525503679 /nfs/dbraw/zinc/50/36/79/525503679.db2.gz ILYMOGJWYUVPTK-CHWSQXEVSA-N 0 3 296.436 1.838 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000094617175 525600240 /nfs/dbraw/zinc/60/02/40/525600240.db2.gz WNLOJQUVGCCFKQ-NWDGAFQWSA-N 0 3 282.359 1.903 20 10 CDCDHN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732284125 575086766 /nfs/dbraw/zinc/08/67/66/575086766.db2.gz JHSRMFHQHJBQBS-SECBINFHSA-N 0 3 254.355 1.620 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@H]1O ZINC000770378256 575474283 /nfs/dbraw/zinc/47/42/83/575474283.db2.gz HAEKQPARSQDECP-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@H]1O ZINC000770378256 575474285 /nfs/dbraw/zinc/47/42/85/575474285.db2.gz HAEKQPARSQDECP-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000772982338 575772053 /nfs/dbraw/zinc/77/20/53/575772053.db2.gz CYUXNXVPFQOIJV-LLVKDONJSA-N 0 3 275.352 1.855 20 10 CDCDHN C[C@@H]1CSCCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444696 576283644 /nfs/dbraw/zinc/28/36/44/576283644.db2.gz BHJZTESRXPMGTH-NOZJJQNGSA-N 0 3 281.377 1.755 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769484845 576358479 /nfs/dbraw/zinc/35/84/79/576358479.db2.gz VPDCBZZCLNTKMI-NSHDSACASA-N 0 3 279.336 1.928 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769484845 576358481 /nfs/dbraw/zinc/35/84/81/576358481.db2.gz VPDCBZZCLNTKMI-NSHDSACASA-N 0 3 279.336 1.928 20 10 CDCDHN CCN(CC)C(=O)CNCc1cc(C)c(C)cc1O ZINC000742368177 576598168 /nfs/dbraw/zinc/59/81/68/576598168.db2.gz XRJOGANAQYLCDW-UHFFFAOYSA-N 0 3 264.369 1.967 20 10 CDCDHN CCCN(C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000762269169 576636131 /nfs/dbraw/zinc/63/61/31/576636131.db2.gz ZYWKBYFRRKNRHO-UHFFFAOYSA-N 0 3 266.341 1.098 20 10 CDCDHN COc1cc(C)cc(CN2CC[C@@H](OC)C2)c1O ZINC000754738327 576913195 /nfs/dbraw/zinc/91/31/95/576913195.db2.gz XXGXSTUDIBVSDQ-GFCCVEGCSA-N 0 3 251.326 1.930 20 10 CDCDHN COc1cc(O)c(CN[C@H](C)C(=O)NC(C)C)cc1OC ZINC000840975458 617963865 /nfs/dbraw/zinc/96/38/65/617963865.db2.gz YLAVQDPOLFXONL-SNVBAGLBSA-N 0 3 296.367 1.412 20 10 CDCDHN COCCN(CCO)Cc1cc(C)cc(OC)c1O ZINC000893996215 618236631 /nfs/dbraw/zinc/23/66/31/618236631.db2.gz VUZWNJIGCUIERR-UHFFFAOYSA-N 0 3 269.341 1.150 20 10 CDCDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000894184543 618671125 /nfs/dbraw/zinc/67/11/25/618671125.db2.gz BBPBOWNJYKVZTP-JQWIXIFHSA-N 0 3 299.392 1.314 20 10 CDCDHN CN(C)c1ccc(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])cc1 ZINC001606054299 1163756852 /nfs/dbraw/zinc/75/68/52/1163756852.db2.gz RNTMANHSUGMNMS-AWEZNQCLSA-N 0 3 277.368 1.001 20 10 CDCDHN O=C1NCCCC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000921525043 728844628 /nfs/dbraw/zinc/84/46/28/728844628.db2.gz JXEICSAWEIMPJJ-CQSZACIVSA-N 0 3 274.364 1.770 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH3+])C2)c1[O-] ZINC000050149745 728415690 /nfs/dbraw/zinc/41/56/90/728415690.db2.gz DUMVRHNSFGGSSU-LBPRGKRZSA-N 0 3 266.316 1.657 20 10 CDCDHN COc1cccc(CNC(=O)[C@H]2CCCN2C(C)C)c1O ZINC000934940142 728470566 /nfs/dbraw/zinc/47/05/66/728470566.db2.gz IZVCCYZUQJLTIK-CYBMUJFWSA-N 0 3 292.379 1.890 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000877130243 728516108 /nfs/dbraw/zinc/51/61/08/728516108.db2.gz KNVXBABUQDYTKV-WFASDCNBSA-N 0 3 292.379 1.426 20 10 CDCDHN COC(=O)C1(C[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000777219245 728570378 /nfs/dbraw/zinc/57/03/78/728570378.db2.gz FAEDKYSCFYCLQP-UHFFFAOYSA-N 0 3 265.309 1.444 20 10 CDCDHN OC1CCN(c2ccc(CNCCF)cc2)CC1 ZINC000877496952 729052793 /nfs/dbraw/zinc/05/27/93/729052793.db2.gz ZQMSMMRPWQNVEJ-UHFFFAOYSA-N 0 3 252.333 1.707 20 10 CDCDHN COc1ccc(N2CCC(NC(=O)[C@H](C)N)CC2)cc1 ZINC000167238715 729183730 /nfs/dbraw/zinc/18/37/30/729183730.db2.gz RNJYTBLBCFESBV-NSHDSACASA-N 0 3 277.368 1.127 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000877467157 729234842 /nfs/dbraw/zinc/23/48/42/729234842.db2.gz XARBFBWGOBECKK-ZOWXZIJZSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000877467157 729234848 /nfs/dbraw/zinc/23/48/48/729234848.db2.gz XARBFBWGOBECKK-ZOWXZIJZSA-N 0 3 274.364 1.786 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980855 729325980 /nfs/dbraw/zinc/32/59/80/729325980.db2.gz FBOPDOODSKXVCE-JQWIXIFHSA-N 0 3 295.339 1.330 20 10 CDCDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NC ZINC000825315831 729375565 /nfs/dbraw/zinc/37/55/65/729375565.db2.gz GVULRHPJPHNDRN-OAHLLOKOSA-N 0 3 291.395 1.137 20 10 CDCDHN CCN(CC)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058975092 729561789 /nfs/dbraw/zinc/56/17/89/729561789.db2.gz MAGQLSWWGNSAOR-UHFFFAOYSA-N 0 3 281.375 1.850 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876554943 729653856 /nfs/dbraw/zinc/65/38/56/729653856.db2.gz KSJZKALUVQMPMO-UHFFFAOYSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000877399722 729657494 /nfs/dbraw/zinc/65/74/94/729657494.db2.gz RPJWWXVZZWPMFV-HNNXBMFYSA-N 0 3 263.337 1.692 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000383246918 729699734 /nfs/dbraw/zinc/69/97/34/729699734.db2.gz CXZQPIPEHRDWFC-CQSZACIVSA-N 0 3 276.380 1.691 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CC2)c1 ZINC000182405210 729815961 /nfs/dbraw/zinc/81/59/61/729815961.db2.gz BAPKXSQQJMXJRA-SNVBAGLBSA-N 0 3 278.352 1.672 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)c([O-])c1 ZINC000840974276 729827240 /nfs/dbraw/zinc/82/72/40/729827240.db2.gz DJAXHIBWKBSIOA-LLVKDONJSA-N 0 3 280.368 1.794 20 10 CDCDHN CCOc1cccc(CN(C)CCNC(C)=O)c1O ZINC000308199850 729837362 /nfs/dbraw/zinc/83/73/62/729837362.db2.gz UKPMMUZJSNOYES-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN COc1cc(C)cc(CN(C)C[C@@H]2COCCO2)c1O ZINC000853560877 729866532 /nfs/dbraw/zinc/86/65/32/729866532.db2.gz ZIKDWGYFIJPAJS-CYBMUJFWSA-N 0 3 281.352 1.556 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC1(S(C)(=O)=O)CC1 ZINC000840940905 729930485 /nfs/dbraw/zinc/93/04/85/729930485.db2.gz JSCQKVLECCTRKW-UHFFFAOYSA-N 0 3 296.436 1.728 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922101065 921272572 /nfs/dbraw/zinc/27/25/72/921272572.db2.gz STTAQZNFPQZCFN-NHYWBVRUSA-N 0 3 274.364 1.626 20 10 CDCDHN O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])CCN12 ZINC001172146665 911355550 /nfs/dbraw/zinc/35/55/50/911355550.db2.gz MNUAXMICKGGYTQ-STQMWFEESA-N 0 3 260.337 1.635 20 10 CDCDHN CCN1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000922639132 921718306 /nfs/dbraw/zinc/71/83/06/921718306.db2.gz IJHUDIJTHTXAAQ-AWEZNQCLSA-N 0 3 293.386 1.992 20 10 CDCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536902 918236183 /nfs/dbraw/zinc/23/61/83/918236183.db2.gz SQZUAYPFZRZCFQ-SWLSCSKDSA-N 0 3 291.395 1.438 20 10 CDCDHN COc1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001203628501 919787850 /nfs/dbraw/zinc/78/78/50/919787850.db2.gz BMQMZSAGXHVQDX-OAHLLOKOSA-N 0 3 292.335 1.475 20 10 CDCDHN CC(C)(O)CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140060018 936675776 /nfs/dbraw/zinc/67/57/76/936675776.db2.gz GTTNAXDQOQEONS-UHFFFAOYSA-N 0 3 296.386 1.810 20 10 CDCDHN COc1cccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075130 936717325 /nfs/dbraw/zinc/71/73/25/936717325.db2.gz VTSQJZXWEINURO-STQMWFEESA-N 0 3 290.363 1.644 20 10 CDCDHN Oc1ccc(O)c(CN2CC(N3CCCCC3)C2)c1 ZINC001141161213 936823058 /nfs/dbraw/zinc/82/30/58/936823058.db2.gz PBLHSMDYPYZCPM-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000837187790 936832458 /nfs/dbraw/zinc/83/24/58/936832458.db2.gz BJRSYVGNQMABAJ-LLVKDONJSA-N 0 3 278.352 1.653 20 10 CDCDHN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000837187790 936832459 /nfs/dbraw/zinc/83/24/59/936832459.db2.gz BJRSYVGNQMABAJ-LLVKDONJSA-N 0 3 278.352 1.653 20 10 CDCDHN C[C@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203876010 925117939 /nfs/dbraw/zinc/11/79/39/925117939.db2.gz ZSJRNRQCACDBLW-JQWIXIFHSA-N 0 3 251.326 1.691 20 10 CDCDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CN)c1 ZINC000841060643 936973781 /nfs/dbraw/zinc/97/37/81/936973781.db2.gz OQJJOILSLBFGFG-MRVPVSSYSA-N 0 3 273.174 1.900 20 10 CDCDHN CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169580829 928230241 /nfs/dbraw/zinc/23/02/41/928230241.db2.gz YSRGJSPUTYNUBA-LBPRGKRZSA-N 0 3 264.325 1.198 20 10 CDCDHN C/C=C\C[C@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883090041 930140342 /nfs/dbraw/zinc/14/03/42/930140342.db2.gz AUQFGMRGEUIQMN-DLRQAJBASA-N 0 3 251.326 1.818 20 10 CDCDHN O=C1CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203884710 939711933 /nfs/dbraw/zinc/71/19/33/939711933.db2.gz ZCFZNPOHCPTENZ-NEPJUHHUSA-N 0 3 261.321 1.899 20 10 CDCDHN COc1cc(CN2CC[C@H](C)[C@@H](O)CC2)cc(O)c1O ZINC001204341763 939757453 /nfs/dbraw/zinc/75/74/53/939757453.db2.gz GDIHGNXFLZJUSM-JQWIXIFHSA-N 0 3 281.352 1.699 20 10 CDCDHN COc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001204346189 939758397 /nfs/dbraw/zinc/75/83/97/939758397.db2.gz GFWOSFOMACVTKN-PHIMTYICSA-N 0 3 265.309 1.185 20 10 CDCDHN [NH3+][C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC001204820994 939794202 /nfs/dbraw/zinc/79/42/02/939794202.db2.gz WZTWXXYOSPDJBR-ZJUUUORDSA-N 0 3 289.148 1.636 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000400150630 940843184 /nfs/dbraw/zinc/84/31/84/940843184.db2.gz BJAPDAABRWUPOD-NEPJUHHUSA-N 0 3 298.408 1.385 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@H]3C[C@H](O)C3)cc2)CC1 ZINC001218429218 941216566 /nfs/dbraw/zinc/21/65/66/941216566.db2.gz JELDPRRGBTXTJP-KOMQPUFPSA-N 0 3 290.407 1.978 20 10 CDCDHN O=C(NC1CC2(C1)CC[NH2+]CC2)c1cccc(O)c1[O-] ZINC001219781157 941387131 /nfs/dbraw/zinc/38/71/31/941387131.db2.gz QHRQXFPVEVEQHO-UHFFFAOYSA-N 0 3 276.336 1.360 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c([O-])c1 ZINC001277454492 942613524 /nfs/dbraw/zinc/61/35/24/942613524.db2.gz UCFBOABBOWJUDF-KTJYFRGRSA-N 0 3 290.363 1.390 20 10 CDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1O ZINC001232841659 943417610 /nfs/dbraw/zinc/41/76/10/943417610.db2.gz NPLQBHVNRGENBC-AWEZNQCLSA-N 0 3 291.395 1.559 20 10 CDCDHN C[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010885 943460888 /nfs/dbraw/zinc/46/08/88/943460888.db2.gz WKSJYBQCDRRVMR-BMIGLBTASA-N 0 3 281.352 1.786 20 10 CDCDHN CN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CCC2(C1)OCCO2 ZINC001233015937 943465045 /nfs/dbraw/zinc/46/50/45/943465045.db2.gz JVIMZHSUIONNFS-LLVKDONJSA-N 0 3 295.335 1.531 20 10 CDCDHN [NH3+][C@]12CC[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001235990649 944355385 /nfs/dbraw/zinc/35/53/85/944355385.db2.gz KLSVDTCGSWCFDV-RNCFNFMXSA-N 0 3 252.745 1.969 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237485359 944809816 /nfs/dbraw/zinc/80/98/16/944809816.db2.gz OTWKHGINUWDBLS-JSGCOSHPSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237485359 944809822 /nfs/dbraw/zinc/80/98/22/944809822.db2.gz OTWKHGINUWDBLS-JSGCOSHPSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1cc(F)cc(CN2CC3(CN(C)C3)C2)c1O ZINC001238068528 945049621 /nfs/dbraw/zinc/04/96/21/945049621.db2.gz ZIPXFDZPMFNCRT-UHFFFAOYSA-N 0 3 250.317 1.587 20 10 CDCDHN CC[C@]1(C(=O)OC)C[C@H](NCc2ccc(N)cc2)CN1 ZINC001246168019 948003518 /nfs/dbraw/zinc/00/35/18/948003518.db2.gz CKSDEZZVPVSEEI-DZGCQCFKSA-N 0 3 277.368 1.042 20 10 CDCDHN CN1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001331248780 956916260 /nfs/dbraw/zinc/91/62/60/956916260.db2.gz ANFIYXCCRPTVEZ-MRXNPFEDSA-N 0 3 287.407 1.997 20 10 CDCDHN CSC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000217853124 398207462 /nfs/dbraw/zinc/20/74/62/398207462.db2.gz TYXUEXMCBKXBCZ-CYBMUJFWSA-N 0 3 255.383 1.904 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000092763730 342418891 /nfs/dbraw/zinc/41/88/91/342418891.db2.gz SIRFXFRDQGYCDL-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000092763730 342418892 /nfs/dbraw/zinc/41/88/92/342418892.db2.gz SIRFXFRDQGYCDL-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000038013537 356953098 /nfs/dbraw/zinc/95/30/98/356953098.db2.gz OVCIJDCZRYOHNG-LLVKDONJSA-N 0 3 250.342 1.787 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296880381 200024426 /nfs/dbraw/zinc/02/44/26/200024426.db2.gz OEJBZQZOXAAAQO-JQWIXIFHSA-N 0 3 283.393 1.792 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCSCCCO)c1 ZINC000224792965 360283654 /nfs/dbraw/zinc/28/36/54/360283654.db2.gz DKHFIDOYXWCWPL-UHFFFAOYSA-N 0 3 271.382 1.606 20 10 CDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269051949 364130838 /nfs/dbraw/zinc/13/08/38/364130838.db2.gz WCEFGQOXBCVMSN-SNVBAGLBSA-N 0 3 267.348 1.506 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272473034 365254632 /nfs/dbraw/zinc/25/46/32/365254632.db2.gz AVFYSPLWLKZZBR-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272473034 365254633 /nfs/dbraw/zinc/25/46/33/365254633.db2.gz AVFYSPLWLKZZBR-NWDGAFQWSA-N 0 3 265.353 1.994 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000138331092 375818111 /nfs/dbraw/zinc/81/81/11/375818111.db2.gz HWPPMELILFCSIY-ZDUSSCGKSA-N 0 3 298.408 1.133 20 10 CDCDHN CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000122635275 390905120 /nfs/dbraw/zinc/90/51/20/390905120.db2.gz DOISTRDRCDBXMR-AWEZNQCLSA-N 0 3 280.368 1.343 20 10 CDCDHN COC(=O)C1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000183486716 391265781 /nfs/dbraw/zinc/26/57/81/391265781.db2.gz HVAUMGRVFJCFAV-UHFFFAOYSA-N 0 3 279.336 1.786 20 10 CDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccccc1[O-] ZINC000281917012 391426165 /nfs/dbraw/zinc/42/61/65/391426165.db2.gz AHFYRFLAICGNTD-CMPLNLGQSA-N 0 3 268.332 1.907 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000282367957 391467192 /nfs/dbraw/zinc/46/71/92/391467192.db2.gz NTLPUNJJVZYBBW-IINYFYTJSA-N 0 3 279.359 1.506 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@H](n3cncn3)C2)c1 ZINC000372371270 391850480 /nfs/dbraw/zinc/85/04/80/391850480.db2.gz WIQCGHMTWUWNSU-LBPRGKRZSA-N 0 3 274.324 1.439 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN(C)C)c1 ZINC000273378287 292014144 /nfs/dbraw/zinc/01/41/44/292014144.db2.gz HRPUQLLCJXQRFP-LLVKDONJSA-N 0 3 280.368 1.781 20 10 CDCDHN C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1 ZINC000038029449 174020806 /nfs/dbraw/zinc/02/08/06/174020806.db2.gz KAWPQUDYKCAXGW-CYBMUJFWSA-N 0 3 275.396 1.802 20 10 CDCDHN CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccccc1[O-] ZINC000038060224 174070763 /nfs/dbraw/zinc/07/07/63/174070763.db2.gz VOUZJJOSIHZPBA-AAEUAGOBSA-N 0 3 251.326 1.848 20 10 CDCDHN C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179582124 261799821 /nfs/dbraw/zinc/79/98/21/261799821.db2.gz RWDISWPSBWUKKG-RYUDHWBXSA-N 0 3 282.359 1.694 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185393097 262052799 /nfs/dbraw/zinc/05/27/99/262052799.db2.gz SOROEPVDTRXTOK-OLZOCXBDSA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(F)ccc1[O-] ZINC000186212142 262084618 /nfs/dbraw/zinc/08/46/18/262084618.db2.gz ASYBVDXXTBKMHH-SECBINFHSA-N 0 3 255.289 1.945 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCCOCCO)c([O-])c1 ZINC000186514413 262096612 /nfs/dbraw/zinc/09/66/12/262096612.db2.gz SGPBIJLYYDAHNI-LBPRGKRZSA-N 0 3 253.342 1.750 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](CN)OC)cc1F ZINC000290211804 263115400 /nfs/dbraw/zinc/11/54/00/263115400.db2.gz SCXAOPCBTMLIAH-CQSZACIVSA-N 0 3 297.374 1.262 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368443841 267172963 /nfs/dbraw/zinc/17/29/63/267172963.db2.gz WEHWTLSNYGKXJT-LLVKDONJSA-N 0 3 263.337 1.869 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1 ZINC000530227344 328718434 /nfs/dbraw/zinc/71/84/34/328718434.db2.gz SJNCFQKQEUBDPI-CHWSQXEVSA-N 0 3 264.369 1.648 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1F ZINC000237056753 328004467 /nfs/dbraw/zinc/00/44/67/328004467.db2.gz PXZFNDBBRWBNAV-CYBMUJFWSA-N 0 3 281.375 1.881 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000234979239 333363672 /nfs/dbraw/zinc/36/36/72/333363672.db2.gz LLDCHIQAKPPJHH-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000234979239 333363674 /nfs/dbraw/zinc/36/36/74/333363674.db2.gz LLDCHIQAKPPJHH-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN Cn1cncc1CNCc1ccc(N2CCOCC2)cc1 ZINC000237936833 333382183 /nfs/dbraw/zinc/38/21/83/333382183.db2.gz WTYIKIYOUFTEOI-UHFFFAOYSA-N 0 3 286.379 1.547 20 10 CDCDHN COc1ccc(CN2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC000228356616 1161399374 /nfs/dbraw/zinc/39/93/74/1161399374.db2.gz XUVYCXFYCHLEQT-LBPRGKRZSA-N 0 3 264.325 1.111 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000228356616 1161399379 /nfs/dbraw/zinc/39/93/79/1161399379.db2.gz XUVYCXFYCHLEQT-LBPRGKRZSA-N 0 3 264.325 1.111 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c([O-])c1 ZINC000228356616 1161399382 /nfs/dbraw/zinc/39/93/82/1161399382.db2.gz XUVYCXFYCHLEQT-LBPRGKRZSA-N 0 3 264.325 1.111 20 10 CDCDHN CN(C)c1ccc(CNCCNC(=O)C2CC2)cc1 ZINC000078372427 522209011 /nfs/dbraw/zinc/20/90/11/522209011.db2.gz SASJJZVEMOVZIM-UHFFFAOYSA-N 0 3 261.369 1.368 20 10 CDCDHN CC[C@@H](N[C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1 ZINC000291998361 522907620 /nfs/dbraw/zinc/90/76/20/522907620.db2.gz XJXGGFXXGQFKOG-SMDDNHRTSA-N 0 3 263.385 1.928 20 10 CDCDHN COCCOCCN(C)Cc1cc(OC)ccc1O ZINC000290176650 523999839 /nfs/dbraw/zinc/99/98/39/523999839.db2.gz NJPLMTRRDDSIEE-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN COc1ccc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274933128 524744827 /nfs/dbraw/zinc/74/48/27/524744827.db2.gz OVNFKQITTQDCKP-UHFFFAOYSA-N 0 3 287.319 1.042 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000289491281 524768151 /nfs/dbraw/zinc/76/81/51/524768151.db2.gz RRHAJBXRENABLG-ZDUSSCGKSA-N 0 3 294.395 1.774 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOCCO)c1 ZINC000020198843 524768776 /nfs/dbraw/zinc/76/87/76/524768776.db2.gz AADUJGMUHLXDMO-JTQLQIEISA-N 0 3 255.314 1.060 20 10 CDCDHN Cc1cc(O)c(CN(C)[C@H]2CCN(C)C2=O)cc1C ZINC000265726721 525315862 /nfs/dbraw/zinc/31/58/62/525315862.db2.gz PAARXCZMLXNBOS-ZDUSSCGKSA-N 0 3 262.353 1.672 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([O-])c1O ZINC000277121569 526105044 /nfs/dbraw/zinc/10/50/44/526105044.db2.gz FPDJAEMQBCNAGD-LBPRGKRZSA-N 0 3 292.379 1.963 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000765795588 576056822 /nfs/dbraw/zinc/05/68/22/576056822.db2.gz KDDNUAQWJJCMHJ-WDEREUQCSA-N 0 3 292.335 1.125 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(C)ccc2[O-])CCOC1 ZINC000766470208 576105040 /nfs/dbraw/zinc/10/50/40/576105040.db2.gz PSVBCNNPTOAPFL-OAHLLOKOSA-N 0 3 279.336 1.512 20 10 CDCDHN COC(=O)C[C@]1(NCc2cc(C)ccc2O)CCOC1 ZINC000766470208 576105041 /nfs/dbraw/zinc/10/50/41/576105041.db2.gz PSVBCNNPTOAPFL-OAHLLOKOSA-N 0 3 279.336 1.512 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@H](OC)C2)cc1OC ZINC000768464913 576286995 /nfs/dbraw/zinc/28/69/95/576286995.db2.gz XDRZLHMCLNJUQU-LLVKDONJSA-N 0 3 267.325 1.630 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403871 576352251 /nfs/dbraw/zinc/35/22/51/576352251.db2.gz YAZRBBJRUOLIAE-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403871 576352253 /nfs/dbraw/zinc/35/22/53/576352253.db2.gz YAZRBBJRUOLIAE-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CN(Cc1cc2c(cc1O)OCO2)C1CC(O)C1 ZINC000761222615 576561154 /nfs/dbraw/zinc/56/11/54/576561154.db2.gz KOIBYNFDDRRSTC-UHFFFAOYSA-N 0 3 251.282 1.076 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC(O)C1 ZINC000761222615 576561156 /nfs/dbraw/zinc/56/11/56/576561156.db2.gz KOIBYNFDDRRSTC-UHFFFAOYSA-N 0 3 251.282 1.076 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC(O)C1 ZINC000761222615 576561158 /nfs/dbraw/zinc/56/11/58/576561158.db2.gz KOIBYNFDDRRSTC-UHFFFAOYSA-N 0 3 251.282 1.076 20 10 CDCDHN CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([O-])cs2)CC1 ZINC000761606523 576585338 /nfs/dbraw/zinc/58/53/38/576585338.db2.gz IKZGHNIEEABICE-UHFFFAOYSA-N 0 3 298.408 1.419 20 10 CDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000757663526 577049531 /nfs/dbraw/zinc/04/95/31/577049531.db2.gz CBVROKSKVSKPSN-BXUZGUMPSA-N 0 3 289.379 1.674 20 10 CDCDHN C[C@H]1CCN(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000779120229 617411540 /nfs/dbraw/zinc/41/15/40/617411540.db2.gz FEAWGJFENWYLPG-NSHDSACASA-N 0 3 252.333 1.963 20 10 CDCDHN COc1ccc(C[N@H+](C)CC2(CO)CC2)c([O-])c1OC ZINC000893884532 618138138 /nfs/dbraw/zinc/13/81/38/618138138.db2.gz DNDBQUNOHFGLLL-UHFFFAOYSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1ccc(C[N@@H+](C)CC2(CO)CC2)c([O-])c1OC ZINC000893884532 618138142 /nfs/dbraw/zinc/13/81/42/618138142.db2.gz DNDBQUNOHFGLLL-UHFFFAOYSA-N 0 3 281.352 1.614 20 10 CDCDHN CS[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1N(C)C ZINC000841295589 619619218 /nfs/dbraw/zinc/61/92/18/619619218.db2.gz CAZMWEQMHAUAJU-QWHCGFSZSA-N 0 3 294.424 1.778 20 10 CDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000895433374 619659235 /nfs/dbraw/zinc/65/92/35/619659235.db2.gz LMJXOPLBYBEMBY-AWEZNQCLSA-N 0 3 274.364 1.626 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897201739 620414166 /nfs/dbraw/zinc/41/41/66/620414166.db2.gz MFZLRVOCHVAGKT-GFCCVEGCSA-N 0 3 251.326 1.596 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000897683569 621071762 /nfs/dbraw/zinc/07/17/62/621071762.db2.gz DVPJXNFIGTUVAH-WBMJQRKESA-N 0 3 294.370 1.475 20 10 CDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876618076 1165881221 /nfs/dbraw/zinc/88/12/21/1165881221.db2.gz YXTGRNNCGRQNEG-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876618076 1165881223 /nfs/dbraw/zinc/88/12/23/1165881223.db2.gz YXTGRNNCGRQNEG-NSHDSACASA-N 0 3 251.326 1.942 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC000041117557 1165993190 /nfs/dbraw/zinc/99/31/90/1165993190.db2.gz RTWVBPHGYYRYKC-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649142 1166391513 /nfs/dbraw/zinc/39/15/13/1166391513.db2.gz MRCCIYCQHBQJTM-NXEZZACHSA-N 0 3 279.340 1.277 20 10 CDCDHN COC(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000237255217 1178616403 /nfs/dbraw/zinc/61/64/03/1178616403.db2.gz AIVRFPHAGSGBIU-UHFFFAOYSA-N 0 3 264.325 1.713 20 10 CDCDHN NC(=O)CN1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000179833097 1182219414 /nfs/dbraw/zinc/21/94/14/1182219414.db2.gz CJMJWVAENTWQMR-UHFFFAOYSA-N 0 3 299.374 1.148 20 10 CDCDHN NC(=O)CN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000179833097 1182219418 /nfs/dbraw/zinc/21/94/18/1182219418.db2.gz CJMJWVAENTWQMR-UHFFFAOYSA-N 0 3 299.374 1.148 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](O)COCC(C)C)c([O-])c1 ZINC000876966577 730422521 /nfs/dbraw/zinc/42/25/21/730422521.db2.gz WROUBABSTGUYNC-CQSZACIVSA-N 0 3 267.369 1.824 20 10 CDCDHN Cc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)c(O)c1 ZINC000877326281 730457189 /nfs/dbraw/zinc/45/71/89/730457189.db2.gz VRAVKTMQJYERJF-APPDUMDISA-N 0 3 255.383 1.899 20 10 CDCDHN Nc1ccc(CC(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000877347772 730481517 /nfs/dbraw/zinc/48/15/17/730481517.db2.gz QOYQIQDSUSVGCF-QGZVFWFLSA-N 0 3 295.386 1.642 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@H](O)C2CC2)cc1F ZINC000858136144 730509479 /nfs/dbraw/zinc/50/94/79/730509479.db2.gz LKUNSYXAJJSYTK-AWEZNQCLSA-N 0 3 270.323 1.891 20 10 CDCDHN CCCN(CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000814177829 730599126 /nfs/dbraw/zinc/59/91/26/730599126.db2.gz QFBIGJVTGGSFBK-UHFFFAOYSA-N 0 3 250.342 1.706 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783524603 730624416 /nfs/dbraw/zinc/62/44/16/730624416.db2.gz HZXSMKDXOCBJSL-CYZMBNFOSA-N 0 3 262.353 1.958 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@]1(O)CCCOC1)CC2 ZINC000846211020 730623864 /nfs/dbraw/zinc/62/38/64/730623864.db2.gz FLPCSTGFJURHRV-CJNGLKHVSA-N 0 3 277.364 1.901 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(C)C)c1 ZINC000135727965 730653365 /nfs/dbraw/zinc/65/33/65/730653365.db2.gz YPJWREFGCHBVER-NSHDSACASA-N 0 3 280.368 1.824 20 10 CDCDHN Cn1c(Cl)cnc1CNCCc1ccc(N)cc1 ZINC000393622883 730908579 /nfs/dbraw/zinc/90/85/79/730908579.db2.gz SPBNOMYLSPZKFZ-UHFFFAOYSA-N 0 3 264.760 1.988 20 10 CDCDHN C[C@@H](NCC(C)(C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959701 730921642 /nfs/dbraw/zinc/92/16/42/730921642.db2.gz GYPVMTWHMMXZKH-MRVPVSSYSA-N 0 3 253.302 1.688 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876774133 731019833 /nfs/dbraw/zinc/01/98/33/731019833.db2.gz MEGZCEGWHWTJNL-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876774133 731019839 /nfs/dbraw/zinc/01/98/39/731019839.db2.gz MEGZCEGWHWTJNL-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1nc[nH]n1 ZINC000708535209 731140609 /nfs/dbraw/zinc/14/06/09/731140609.db2.gz JNWIKQCCHNZWJD-UHFFFAOYSA-N 0 3 254.240 1.121 20 10 CDCDHN CC[N@@H+]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000319988437 731295976 /nfs/dbraw/zinc/29/59/76/731295976.db2.gz GNGTVRCZDHBKHU-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN CC[N@H+]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000319988437 731295980 /nfs/dbraw/zinc/29/59/80/731295980.db2.gz GNGTVRCZDHBKHU-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000230663334 731300984 /nfs/dbraw/zinc/30/09/84/731300984.db2.gz NXMKQKPNDFBWNO-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636682 731324881 /nfs/dbraw/zinc/32/48/81/731324881.db2.gz YTUVAESGIGHMRD-LRDDRELGSA-N 0 3 279.380 1.879 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929636682 731324882 /nfs/dbraw/zinc/32/48/82/731324882.db2.gz YTUVAESGIGHMRD-LRDDRELGSA-N 0 3 279.380 1.879 20 10 CDCDHN COC[C@@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649528 731383585 /nfs/dbraw/zinc/38/35/85/731383585.db2.gz VOWBOJSYVOWSCJ-UPJWGTAASA-N 0 3 283.368 1.455 20 10 CDCDHN CCOc1cccc(CNCCS(=O)(=O)C2CC2)c1O ZINC000840964773 731432290 /nfs/dbraw/zinc/43/22/90/731432290.db2.gz PTWVGXHHBHKRJY-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCNC2)c1 ZINC000817942366 731537792 /nfs/dbraw/zinc/53/77/92/731537792.db2.gz YCIYDHLWNWGYKK-CMPLNLGQSA-N 0 3 278.352 1.581 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817942366 731537794 /nfs/dbraw/zinc/53/77/94/731537794.db2.gz YCIYDHLWNWGYKK-CMPLNLGQSA-N 0 3 278.352 1.581 20 10 CDCDHN [O-]c1c(C[NH+]2CCN(CCO)CC2)ccc2ccccc21 ZINC000816478191 731610202 /nfs/dbraw/zinc/61/02/02/731610202.db2.gz XFNWPIWGPWXVHB-UHFFFAOYSA-N 0 3 286.375 1.655 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CNCC1OCCCO1 ZINC000922278296 731869816 /nfs/dbraw/zinc/86/98/16/731869816.db2.gz TZXSMJOENIJSKH-UHFFFAOYSA-N 0 3 292.379 1.376 20 10 CDCDHN COCC(COC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000388504409 731870393 /nfs/dbraw/zinc/87/03/93/731870393.db2.gz NRFSNDHJRJYJRO-SECBINFHSA-N 0 3 257.305 1.843 20 10 CDCDHN CSC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877052067 732068029 /nfs/dbraw/zinc/06/80/29/732068029.db2.gz RBXWHILDMIRUTJ-GFCCVEGCSA-N 0 3 255.383 1.904 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000792194932 732124369 /nfs/dbraw/zinc/12/43/69/732124369.db2.gz BHTBEJDFGCIPJN-CYBMUJFWSA-N 0 3 287.331 1.035 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865682557 732150206 /nfs/dbraw/zinc/15/02/06/732150206.db2.gz HPRLHAHTVZWCQL-NSHDSACASA-N 0 3 286.257 1.877 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000866498574 732159136 /nfs/dbraw/zinc/15/91/36/732159136.db2.gz ZWPFGXVJYKYULQ-HJQYOEGKSA-N 0 3 281.327 1.819 20 10 CDCDHN COc1ccc(N2CCN(CCc3c[nH]nn3)CC2)cc1 ZINC000821386390 732284133 /nfs/dbraw/zinc/28/41/33/732284133.db2.gz KQHSBTXUUDGRHP-UHFFFAOYSA-N 0 3 287.367 1.178 20 10 CDCDHN CCOCCOCCN(C)Cc1c(O)cccc1OC ZINC000787422632 732371036 /nfs/dbraw/zinc/37/10/36/732371036.db2.gz HUGKWUBZZFJGQA-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c([O-])c1 ZINC000877129339 732580599 /nfs/dbraw/zinc/58/05/99/732580599.db2.gz BTZYTCAVBHGEHR-ZFWWWQNUSA-N 0 3 292.379 1.426 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775686353 732991986 /nfs/dbraw/zinc/99/19/86/732991986.db2.gz IHXHJTYVLDTXHA-LBPRGKRZSA-N 0 3 294.395 1.935 20 10 CDCDHN CC(C)NC(=O)NCC[N@H+](C)Cc1ccccc1[O-] ZINC000828063103 733076807 /nfs/dbraw/zinc/07/68/07/733076807.db2.gz ZRLMBHAYCSDRLH-UHFFFAOYSA-N 0 3 265.357 1.532 20 10 CDCDHN CC(C)NC(=O)NCC[N@@H+](C)Cc1ccccc1[O-] ZINC000828063103 733076812 /nfs/dbraw/zinc/07/68/12/733076812.db2.gz ZRLMBHAYCSDRLH-UHFFFAOYSA-N 0 3 265.357 1.532 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583998 733166414 /nfs/dbraw/zinc/16/64/14/733166414.db2.gz UQZMSVYFTTVUKT-ZDUSSCGKSA-N 0 3 294.395 1.337 20 10 CDCDHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000311783809 899911579 /nfs/dbraw/zinc/91/15/79/899911579.db2.gz XLLHXAYPVHIARP-JTQLQIEISA-N 0 3 266.341 1.556 20 10 CDCDHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000311783809 899911587 /nfs/dbraw/zinc/91/15/87/899911587.db2.gz XLLHXAYPVHIARP-JTQLQIEISA-N 0 3 266.341 1.556 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001236174581 914736656 /nfs/dbraw/zinc/73/66/56/914736656.db2.gz XAGFGRAXEMIVSS-JTQLQIEISA-N 0 3 260.259 1.944 20 10 CDCDHN C[N@H+](CCO)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001236256088 914825992 /nfs/dbraw/zinc/82/59/92/914825992.db2.gz MORZMVAXJWAYMQ-UHFFFAOYSA-N 0 3 279.258 1.757 20 10 CDCDHN C[N@@H+](CCO)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001236256088 914826014 /nfs/dbraw/zinc/82/60/14/914826014.db2.gz MORZMVAXJWAYMQ-UHFFFAOYSA-N 0 3 279.258 1.757 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236286142 914859218 /nfs/dbraw/zinc/85/92/18/914859218.db2.gz LCSSOTAIVVECLV-LDYMZIIASA-N 0 3 283.169 1.558 20 10 CDCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1C1CC1 ZINC001172001137 911059819 /nfs/dbraw/zinc/05/98/19/911059819.db2.gz YAMCHJHIGPVJAM-GFCCVEGCSA-N 0 3 260.337 1.635 20 10 CDCDHN CCN1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CC1=O ZINC001172046256 911181311 /nfs/dbraw/zinc/18/13/11/911181311.db2.gz MYOJIZUENZAIRN-ZDUSSCGKSA-N 0 3 262.353 1.835 20 10 CDCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CC1=O ZINC001172046256 911181313 /nfs/dbraw/zinc/18/13/13/911181313.db2.gz MYOJIZUENZAIRN-ZDUSSCGKSA-N 0 3 262.353 1.835 20 10 CDCDHN N[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@H]1F ZINC001206174211 911901960 /nfs/dbraw/zinc/90/19/60/911901960.db2.gz MIQYWEPCUCWPRR-PWSUYJOCSA-N 0 3 274.286 1.932 20 10 CDCDHN N[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC[C@H]1F ZINC001206174211 911901966 /nfs/dbraw/zinc/90/19/66/911901966.db2.gz MIQYWEPCUCWPRR-PWSUYJOCSA-N 0 3 274.286 1.932 20 10 CDCDHN CC(=O)N1CCC2(C[NH+](Cc3c([O-])cccc3F)C2)C1 ZINC001137836050 936419052 /nfs/dbraw/zinc/41/90/52/936419052.db2.gz UCLBAXODULRKPO-UHFFFAOYSA-N 0 3 278.327 1.586 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203621254 919680987 /nfs/dbraw/zinc/68/09/87/919680987.db2.gz QKWFFCOJFMJHRU-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203621254 919680990 /nfs/dbraw/zinc/68/09/90/919680990.db2.gz QKWFFCOJFMJHRU-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@@H](N)CC(F)F ZINC000385592677 936626179 /nfs/dbraw/zinc/62/61/79/936626179.db2.gz IYQQFPJAHTWMCW-VIFPVBQESA-N 0 3 258.268 1.333 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056148 936674365 /nfs/dbraw/zinc/67/43/65/936674365.db2.gz JPXIXNDTERYNJB-LBPRGKRZSA-N 0 3 283.299 1.295 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056148 936674366 /nfs/dbraw/zinc/67/43/66/936674366.db2.gz JPXIXNDTERYNJB-LBPRGKRZSA-N 0 3 283.299 1.295 20 10 CDCDHN Cc1ccc(C)c(CN2CCC3(C2)OCCO3)c1O ZINC001140180542 936684415 /nfs/dbraw/zinc/68/44/15/936684415.db2.gz YPWBUWVXUWPBAX-UHFFFAOYSA-N 0 3 263.337 1.958 20 10 CDCDHN CN1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)OCCN2C ZINC001141144591 936819671 /nfs/dbraw/zinc/81/96/71/936819671.db2.gz HPJVHXMOBUHDKI-KBPBESRZSA-N 0 3 273.380 1.404 20 10 CDCDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc2c(c1)OCCN2C ZINC001141144313 936819740 /nfs/dbraw/zinc/81/97/40/936819740.db2.gz ZDFDUQBPOCDHKC-JSGCOSHPSA-N 0 3 276.380 1.860 20 10 CDCDHN COc1ccc(N(C)C[C@@H]2CNCCO2)cc1Cl ZINC000852746528 927859263 /nfs/dbraw/zinc/85/92/63/927859263.db2.gz MTHGVOAPPUQVCR-NSHDSACASA-N 0 3 270.760 1.773 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000780786232 937204215 /nfs/dbraw/zinc/20/42/15/937204215.db2.gz JIOMIBGGQDTUGV-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000780786232 937204220 /nfs/dbraw/zinc/20/42/20/937204220.db2.gz JIOMIBGGQDTUGV-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN CN(C)c1ccc(CNC2(C(N)=O)CCCC2)cc1 ZINC000785754400 929173430 /nfs/dbraw/zinc/17/34/30/929173430.db2.gz BCBNFRJFBLJWKA-UHFFFAOYSA-N 0 3 261.369 1.640 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000134231944 930524634 /nfs/dbraw/zinc/52/46/34/930524634.db2.gz UNOQNVLLSXWOPM-CYBMUJFWSA-N 0 3 251.326 1.269 20 10 CDCDHN CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253474443 930784776 /nfs/dbraw/zinc/78/47/76/930784776.db2.gz RNWDBKANEGZAGG-LBPRGKRZSA-N 0 3 269.341 1.363 20 10 CDCDHN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000927079492 933043874 /nfs/dbraw/zinc/04/38/74/933043874.db2.gz FEBCAMZLTRRVFO-JQWIXIFHSA-N 0 3 269.316 1.987 20 10 CDCDHN CN1CCN(c2ccc(CNc3ccnc(N)n3)cc2)CC1 ZINC001156658007 938402078 /nfs/dbraw/zinc/40/20/78/938402078.db2.gz QLYGXBVNWNVNOM-UHFFFAOYSA-N 0 3 298.394 1.423 20 10 CDCDHN N[C@@H](CC(F)F)C(=O)N1CCc2cccc(O)c2C1 ZINC001160873401 938835067 /nfs/dbraw/zinc/83/50/67/938835067.db2.gz YMBSETKRLYZHAP-JTQLQIEISA-N 0 3 270.279 1.259 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001203602410 939695918 /nfs/dbraw/zinc/69/59/18/939695918.db2.gz VKPXYWGMBILLJB-NEPJUHHUSA-N 0 3 269.316 1.696 20 10 CDCDHN COc1ccc(CN2CC3(CSC3)C2)c(O)c1 ZINC001203634460 939698839 /nfs/dbraw/zinc/69/88/39/939698839.db2.gz HCEDPSQONJQGLT-UHFFFAOYSA-N 0 3 251.351 1.950 20 10 CDCDHN O=C1OCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204281054 939752360 /nfs/dbraw/zinc/75/23/60/939752360.db2.gz ORZSNUZUNGBTEJ-UHFFFAOYSA-N 0 3 277.320 1.627 20 10 CDCDHN COc1cc(CN2CC[C@]3(CCOC3)C2)cc(O)c1O ZINC001204341895 939756921 /nfs/dbraw/zinc/75/69/21/939756921.db2.gz IEBAICRGJYHZEJ-HNNXBMFYSA-N 0 3 279.336 1.719 20 10 CDCDHN COc1cc(CN2C[C@@H](C)C[C@H]2CO)cc(O)c1O ZINC001204344623 939758526 /nfs/dbraw/zinc/75/85/26/939758526.db2.gz WDZYKVCQVMOYDH-ONGXEEELSA-N 0 3 267.325 1.309 20 10 CDCDHN [NH3+]C[C@@]1(O)CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001205681124 939916321 /nfs/dbraw/zinc/91/63/21/939916321.db2.gz FOJOKBPIUUZNTL-AWEZNQCLSA-N 0 3 286.322 1.346 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231588798 942937893 /nfs/dbraw/zinc/93/78/93/942937893.db2.gz UHNOOERQWLUOBU-SUMWQHHRSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231588798 942937901 /nfs/dbraw/zinc/93/79/01/942937901.db2.gz UHNOOERQWLUOBU-SUMWQHHRSA-N 0 3 287.359 1.721 20 10 CDCDHN COc1cc(CN2CC[C@@H]3CCO[C@H]3C2)c(O)cc1O ZINC001231633674 942949434 /nfs/dbraw/zinc/94/94/34/942949434.db2.gz SJQAXKACVTZFOI-BMIGLBTASA-N 0 3 279.336 1.717 20 10 CDCDHN Cc1cc(C)c(CN2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001231843829 943026733 /nfs/dbraw/zinc/02/67/33/943026733.db2.gz GVTKXYWOPSOJTP-YSVLISHTSA-N 0 3 291.391 1.981 20 10 CDCDHN Oc1cc(CN2CCN3CCCC[C@@H]3C2)cc(O)c1O ZINC001233012131 943462385 /nfs/dbraw/zinc/46/23/85/943462385.db2.gz IRYGXPVDQYAJST-GFCCVEGCSA-N 0 3 278.352 1.474 20 10 CDCDHN O=C1CCN(Cc2cc(O)c(O)cc2O)C[C@H]2CCCN12 ZINC001233487925 943595196 /nfs/dbraw/zinc/59/51/96/943595196.db2.gz XCVJJDUBMCQJIC-LLVKDONJSA-N 0 3 292.335 1.000 20 10 CDCDHN Oc1cc(O)c(CN2C[C@@H]3CCO[C@@H]3C2)cc1O ZINC001233486541 943595646 /nfs/dbraw/zinc/59/56/46/943595646.db2.gz QTQJLESTZSGZTR-ISVAXAHUSA-N 0 3 251.282 1.024 20 10 CDCDHN [O-]c1c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235001242 944003818 /nfs/dbraw/zinc/00/38/18/944003818.db2.gz LCAZDNDIIMLTRJ-RDJZCZTQSA-N 0 3 299.370 1.844 20 10 CDCDHN [O-]c1c(C[N@H+]2C[C@H](O)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001235001242 944003821 /nfs/dbraw/zinc/00/38/21/944003821.db2.gz LCAZDNDIIMLTRJ-RDJZCZTQSA-N 0 3 299.370 1.844 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235676911 944244517 /nfs/dbraw/zinc/24/45/17/944244517.db2.gz WVVAGMNLUMFDLR-ZFWWWQNUSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001235676911 944244520 /nfs/dbraw/zinc/24/45/20/944244520.db2.gz WVVAGMNLUMFDLR-ZFWWWQNUSA-N 0 3 293.407 1.865 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236784632 944565865 /nfs/dbraw/zinc/56/58/65/944565865.db2.gz XLCFOVOEZNGZDJ-UKRRQHHQSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236784632 944565868 /nfs/dbraw/zinc/56/58/68/944565868.db2.gz XLCFOVOEZNGZDJ-UKRRQHHQSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(CN2CCCO[C@H](C(=O)OC)C2)c(O)c1 ZINC001236788453 944567929 /nfs/dbraw/zinc/56/79/29/944567929.db2.gz NOVGKRANIOTHIM-HNNXBMFYSA-N 0 3 293.363 1.719 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001236827953 944585277 /nfs/dbraw/zinc/58/52/77/944585277.db2.gz XJPDDXPIKGGVHU-WMLDXEAASA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001236827953 944585279 /nfs/dbraw/zinc/58/52/79/944585279.db2.gz XJPDDXPIKGGVHU-WMLDXEAASA-N 0 3 287.359 1.721 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001237485445 944810981 /nfs/dbraw/zinc/81/09/81/944810981.db2.gz PDQPXXMRJPPWQN-VXGBXAGGSA-N 0 3 253.317 1.853 20 10 CDCDHN COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237677720 944920213 /nfs/dbraw/zinc/92/02/13/944920213.db2.gz HNNPSZSARJOICP-TXEJJXNPSA-N 0 3 294.395 1.934 20 10 CDCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1[O-] ZINC001238060886 945046568 /nfs/dbraw/zinc/04/65/68/945046568.db2.gz JGHRCMZYAPBHDS-CQSZACIVSA-N 0 3 295.354 1.956 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCN(C)CC2)c([O-])c1 ZINC001249171336 949434820 /nfs/dbraw/zinc/43/48/20/949434820.db2.gz BBWSQIWKIIVOGD-UHFFFAOYSA-N 0 3 292.379 1.245 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCN(C)CC2)c([O-])c1 ZINC001249171336 949434845 /nfs/dbraw/zinc/43/48/45/949434845.db2.gz BBWSQIWKIIVOGD-UHFFFAOYSA-N 0 3 292.379 1.245 20 10 CDCDHN COC(=O)Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001249177656 949439004 /nfs/dbraw/zinc/43/90/04/949439004.db2.gz HWNUJGOFZRAWCY-MELADBBJSA-N 0 3 293.338 1.898 20 10 CDCDHN CCc1cccc(CN2CC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000848888949 969339405 /nfs/dbraw/zinc/33/94/05/969339405.db2.gz DSFYZCIUNFBUBB-CYBMUJFWSA-N 0 3 298.408 1.078 20 10 CDCDHN COc1cccc(CN2CCN(C)CC2(C)C)c1O ZINC000093457379 342235706 /nfs/dbraw/zinc/23/57/06/342235706.db2.gz XWFUEDWNXZTLKF-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN COc1cccc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000112017355 365853960 /nfs/dbraw/zinc/85/39/60/365853960.db2.gz WWSHODAIBYSEPS-UHFFFAOYSA-N 0 3 261.325 1.467 20 10 CDCDHN CC[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[O-] ZINC000037740457 356921922 /nfs/dbraw/zinc/92/19/22/356921922.db2.gz NUWYVWYBPPOXDL-NSHDSACASA-N 0 3 257.355 1.478 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)NCCS(C)(=O)=O)c1 ZINC000037740748 356923021 /nfs/dbraw/zinc/92/30/21/356923021.db2.gz QODOSBACWKCNGA-SNVBAGLBSA-N 0 3 257.355 1.396 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1O ZINC000180578645 357276120 /nfs/dbraw/zinc/27/61/20/357276120.db2.gz TTWKKMVDVDXQRG-OAHLLOKOSA-N 0 3 290.407 1.855 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000189851088 358042890 /nfs/dbraw/zinc/04/28/90/358042890.db2.gz ZOCUBDWNBNOYRX-AWEZNQCLSA-N 0 3 277.412 1.251 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c([O-])c1O ZINC000267602383 363855472 /nfs/dbraw/zinc/85/54/72/363855472.db2.gz PPOCOMXEMADVGT-JTQLQIEISA-N 0 3 264.325 1.088 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c([O-])c1O ZINC000267602383 363855475 /nfs/dbraw/zinc/85/54/75/363855475.db2.gz PPOCOMXEMADVGT-JTQLQIEISA-N 0 3 264.325 1.088 20 10 CDCDHN C[C@@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181291384 365025177 /nfs/dbraw/zinc/02/51/77/365025177.db2.gz ZVYYILCCPSTUNO-GFCCVEGCSA-N 0 3 275.396 1.929 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCN(C)C1 ZINC000525217640 367718144 /nfs/dbraw/zinc/71/81/44/367718144.db2.gz JQHLMCSCXMERRX-GFCCVEGCSA-N 0 3 289.379 1.430 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297933714 372038319 /nfs/dbraw/zinc/03/83/19/372038319.db2.gz XTNNISBDQUVVSW-ZIAGYGMSSA-N 0 3 276.380 1.690 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C)cc1[O-] ZINC000295994399 378706592 /nfs/dbraw/zinc/70/65/92/378706592.db2.gz PVUAAFKAZJJYQO-OUCADQQQSA-N 0 3 251.326 1.501 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@H]2CO)cc1F ZINC000119272929 390844597 /nfs/dbraw/zinc/84/45/97/390844597.db2.gz KKLHHVUXPDVPAC-LBPRGKRZSA-N 0 3 252.333 1.848 20 10 CDCDHN CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000122780490 390906811 /nfs/dbraw/zinc/90/68/11/390906811.db2.gz DGHXBTNMUPXUOE-NSHDSACASA-N 0 3 266.341 1.097 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1 ZINC000360306288 391654463 /nfs/dbraw/zinc/65/44/63/391654463.db2.gz WBLHYDRINGPOBO-OAHLLOKOSA-N 0 3 275.396 1.853 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@H](CO)SC)c1[O-] ZINC000152486836 392385142 /nfs/dbraw/zinc/38/51/42/392385142.db2.gz AIPRDVJCJDGSGZ-GWCFXTLKSA-N 0 3 285.409 1.993 20 10 CDCDHN COc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1[O-] ZINC000004681759 169998111 /nfs/dbraw/zinc/99/81/11/169998111.db2.gz BZLPAZJARVLHLU-UHFFFAOYSA-N 0 3 264.325 1.098 20 10 CDCDHN COCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000154188684 261088363 /nfs/dbraw/zinc/08/83/63/261088363.db2.gz VWZAPJYXDGKYST-UHFFFAOYSA-N 0 3 264.369 1.601 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])C1 ZINC000186475278 262094466 /nfs/dbraw/zinc/09/44/66/262094466.db2.gz JTCGLAMBAIVJHQ-GFCCVEGCSA-N 0 3 294.351 1.721 20 10 CDCDHN CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186806702 262110676 /nfs/dbraw/zinc/11/06/76/262110676.db2.gz ZBMQOGNLMHEKQD-LLVKDONJSA-N 0 3 250.342 1.830 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186202673 262312399 /nfs/dbraw/zinc/31/23/99/262312399.db2.gz XCCADAVDHANGON-WDEREUQCSA-N 0 3 269.341 1.449 20 10 CDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1OC ZINC000272529800 263005894 /nfs/dbraw/zinc/00/58/94/263005894.db2.gz AYRYDNFYMLKIOJ-CFVMTHIKSA-N 0 3 281.352 1.683 20 10 CDCDHN Oc1cc2c(cc1CN1CC[C@@H](n3cncn3)C1)OCO2 ZINC000368799469 267206237 /nfs/dbraw/zinc/20/62/37/267206237.db2.gz ITGIIUUCVCXPSA-LLVKDONJSA-N 0 3 288.307 1.159 20 10 CDCDHN CCCN(Cc1cc(C)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282952319 276001367 /nfs/dbraw/zinc/00/13/67/276001367.db2.gz HIKMFQYNMZKESF-CYBMUJFWSA-N 0 3 290.363 1.670 20 10 CDCDHN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000378133042 329041101 /nfs/dbraw/zinc/04/11/01/329041101.db2.gz RFYSEANAJWDEPD-INIZCTEOSA-N 0 3 293.363 1.961 20 10 CDCDHN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000378133042 329041103 /nfs/dbraw/zinc/04/11/03/329041103.db2.gz RFYSEANAJWDEPD-INIZCTEOSA-N 0 3 293.363 1.961 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000228677071 329059400 /nfs/dbraw/zinc/05/94/00/329059400.db2.gz JPZREIBAWFBOAZ-QMMMGPOBSA-N 0 3 286.759 1.668 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([O-])c1O ZINC000177680693 329188985 /nfs/dbraw/zinc/18/89/85/329188985.db2.gz IRWAGSLBIOACEZ-LBPRGKRZSA-N 0 3 290.363 1.717 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530221046 333528843 /nfs/dbraw/zinc/52/88/43/333528843.db2.gz CDJXSGGXRRAGND-GHMZBOCLSA-N 0 3 266.341 1.040 20 10 CDCDHN CC[C@@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000130604806 1161212578 /nfs/dbraw/zinc/21/25/78/1161212578.db2.gz AJHLDVZQILQGCF-CYBMUJFWSA-N 0 3 295.358 1.220 20 10 CDCDHN CCC[N@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000290264242 521661535 /nfs/dbraw/zinc/66/15/35/521661535.db2.gz KWNCZLZQMUUHTC-UHFFFAOYSA-N 0 3 277.368 1.629 20 10 CDCDHN CCC[N@@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000290264242 521661539 /nfs/dbraw/zinc/66/15/39/521661539.db2.gz KWNCZLZQMUUHTC-UHFFFAOYSA-N 0 3 277.368 1.629 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000203317529 522203445 /nfs/dbraw/zinc/20/34/45/522203445.db2.gz GIFRJNQBPQJXAC-QGZVFWFLSA-N 0 3 297.402 1.939 20 10 CDCDHN C[C@@H]1CCCN(CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237539936 524224134 /nfs/dbraw/zinc/22/41/34/524224134.db2.gz KQANHYSAOIAMRQ-CYBMUJFWSA-N 0 3 275.396 1.659 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290570331 524432611 /nfs/dbraw/zinc/43/26/11/524432611.db2.gz TVGBWIKMQLBWOX-GFCCVEGCSA-N 0 3 283.393 1.615 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280427681 524772395 /nfs/dbraw/zinc/77/23/95/524772395.db2.gz BORYMTDDPCPHBA-RWMBFGLXSA-N 0 3 295.379 1.696 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2C)c1 ZINC000071333076 524772662 /nfs/dbraw/zinc/77/26/62/524772662.db2.gz VFTPVXRAVVAVNZ-JTQLQIEISA-N 0 3 261.325 1.985 20 10 CDCDHN COc1cccc(CN2CCO[C@H](CN(C)C)C2)c1O ZINC000128082738 525947960 /nfs/dbraw/zinc/94/79/60/525947960.db2.gz GFIKYPMASIBFHZ-CYBMUJFWSA-N 0 3 280.368 1.163 20 10 CDCDHN COc1cccc(C[NH2+]CC2(O)CCCC2)c1[O-] ZINC000096479177 526013603 /nfs/dbraw/zinc/01/36/03/526013603.db2.gz ZGJFUCVKOLJLFT-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN CCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764608924 575925536 /nfs/dbraw/zinc/92/55/36/575925536.db2.gz OTZTYAXTBFEQLW-ZDUSSCGKSA-N 0 3 291.395 1.310 20 10 CDCDHN COC(=O)C[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000766468762 576105109 /nfs/dbraw/zinc/10/51/09/576105109.db2.gz MKLIXNWDMSFJDU-INIZCTEOSA-N 0 3 291.347 1.433 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000768141177 576260295 /nfs/dbraw/zinc/26/02/95/576260295.db2.gz QSSLKWHGOSKRGT-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000768141177 576260297 /nfs/dbraw/zinc/26/02/97/576260297.db2.gz QSSLKWHGOSKRGT-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447884 576283838 /nfs/dbraw/zinc/28/38/38/576283838.db2.gz QPHTZYHWGQFEPR-CYBMUJFWSA-N 0 3 295.335 1.203 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447884 576283843 /nfs/dbraw/zinc/28/38/43/576283843.db2.gz QPHTZYHWGQFEPR-CYBMUJFWSA-N 0 3 295.335 1.203 20 10 CDCDHN CC(=O)N1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC000768872951 576315192 /nfs/dbraw/zinc/31/51/92/576315192.db2.gz MOLSAWRJLWCFRA-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN CC(=O)N1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000768872951 576315193 /nfs/dbraw/zinc/31/51/93/576315193.db2.gz MOLSAWRJLWCFRA-UHFFFAOYSA-N 0 3 262.353 1.835 20 10 CDCDHN COCCOC[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000742377144 576599237 /nfs/dbraw/zinc/59/92/37/576599237.db2.gz MYVHXZJAIPBBFY-LLVKDONJSA-N 0 3 269.341 1.542 20 10 CDCDHN CN1CCC([N@H+](CCO)Cc2cc(Cl)ccc2[O-])CC1 ZINC000155507860 617533939 /nfs/dbraw/zinc/53/39/39/617533939.db2.gz QLNRSRNJGDXLHY-UHFFFAOYSA-N 0 3 298.814 1.934 20 10 CDCDHN CN1CCC([N@@H+](CCO)Cc2cc(Cl)ccc2[O-])CC1 ZINC000155507860 617533943 /nfs/dbraw/zinc/53/39/43/617533943.db2.gz QLNRSRNJGDXLHY-UHFFFAOYSA-N 0 3 298.814 1.934 20 10 CDCDHN COc1ccc(N2CCN(CCC[C@H](C)O)CC2)cc1 ZINC000045619321 617593345 /nfs/dbraw/zinc/59/33/45/617593345.db2.gz UROFLIRSLJPVKP-AWEZNQCLSA-N 0 3 278.396 1.978 20 10 CDCDHN CCc1cccc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000862539752 620735693 /nfs/dbraw/zinc/73/56/93/620735693.db2.gz UVGIAKBHQLLCLO-JTQLQIEISA-N 0 3 266.341 1.453 20 10 CDCDHN CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000895317504 619549404 /nfs/dbraw/zinc/54/94/04/619549404.db2.gz WRMHTDCFSDEWEM-NSHDSACASA-N 0 3 252.289 1.146 20 10 CDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000895319925 619552695 /nfs/dbraw/zinc/55/26/95/619552695.db2.gz ZLOFMIZESSCOPA-OAHLLOKOSA-N 0 3 287.407 1.901 20 10 CDCDHN COC[C@@]1(CNCc2cccc(Cl)c2[O-])CCC[NH2+]1 ZINC000841067309 621698537 /nfs/dbraw/zinc/69/85/37/621698537.db2.gz MYZFJMCJFMSQMX-AWEZNQCLSA-N 0 3 284.787 1.904 20 10 CDCDHN COC[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCN1 ZINC000841067309 621698541 /nfs/dbraw/zinc/69/85/41/621698541.db2.gz MYZFJMCJFMSQMX-AWEZNQCLSA-N 0 3 284.787 1.904 20 10 CDCDHN Cc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000877437049 1166037292 /nfs/dbraw/zinc/03/72/92/1166037292.db2.gz UEXIIDUHKLCDNO-AAEUAGOBSA-N 0 3 262.353 1.786 20 10 CDCDHN C[C@@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1O ZINC000870988732 735410925 /nfs/dbraw/zinc/41/09/25/735410925.db2.gz XZHLJDIEGHTXTM-VXNVDRBHSA-N 0 3 258.268 1.552 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c([O-])c1 ZINC000799348514 735433567 /nfs/dbraw/zinc/43/35/67/735433567.db2.gz FWZXSXKLVAFZME-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN COc1ccc(CN[C@]23C[C@H]2COC3)cc1Cn1cccn1 ZINC000886199240 735475017 /nfs/dbraw/zinc/47/50/17/735475017.db2.gz PFTSKHUPGIKAOA-RDJZCZTQSA-N 0 3 299.374 1.819 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)CCOCCO)c([O-])c1 ZINC000883350384 735794769 /nfs/dbraw/zinc/79/47/69/735794769.db2.gz FBOOCVRSRRVYGL-CQSZACIVSA-N 0 3 296.411 1.292 20 10 CDCDHN COc1cccc(O)c1CNCC1(S(C)(=O)=O)CC1 ZINC000793279452 735800295 /nfs/dbraw/zinc/80/02/95/735800295.db2.gz HBZBNFKYCFFCEU-UHFFFAOYSA-N 0 3 285.365 1.068 20 10 CDCDHN COCC[C@@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877481365 736083883 /nfs/dbraw/zinc/08/38/83/736083883.db2.gz FNHSRVADIGAOOH-OAHLLOKOSA-N 0 3 265.353 1.986 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000879649588 733175566 /nfs/dbraw/zinc/17/55/66/733175566.db2.gz WSDMVPFIOSNVJR-VXGBXAGGSA-N 0 3 262.353 1.959 20 10 CDCDHN O=C1NCCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840826812 733333765 /nfs/dbraw/zinc/33/37/65/733333765.db2.gz WJMULGDGIFOMGZ-NEPJUHHUSA-N 0 3 260.337 1.495 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCCO)CC1 ZINC000876791572 733701840 /nfs/dbraw/zinc/70/18/40/733701840.db2.gz MTHBDZALCKWYGS-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1F ZINC000865749188 733812597 /nfs/dbraw/zinc/81/25/97/733812597.db2.gz DKVYGBZSMBGGRG-GDBMZVCRSA-N 0 3 296.386 1.911 20 10 CDCDHN O=C1[C@H](NCc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 ZINC000835072303 734094860 /nfs/dbraw/zinc/09/48/60/734094860.db2.gz FLBZHHUHDFBIOY-LSDHHAIUSA-N 0 3 286.375 1.865 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C(C)(C)CO)CC2)c1 ZINC000775703783 734100481 /nfs/dbraw/zinc/10/04/81/734100481.db2.gz YFDRUIGNIQJHNF-UHFFFAOYSA-N 0 3 294.395 1.289 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC000815120171 734215319 /nfs/dbraw/zinc/21/53/19/734215319.db2.gz DHHQUNOVXYEQLA-FOLVSLTJSA-N 0 3 288.391 1.912 20 10 CDCDHN Fc1cc(CN[C@]23C[C@H]2COC3)ccc1N1CCOCC1 ZINC000886201729 734308149 /nfs/dbraw/zinc/30/81/49/734308149.db2.gz PDRGFBGDIUBYMT-BBRMVZONSA-N 0 3 292.354 1.541 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)CC2CC2)c(O)c1 ZINC000884335655 734438885 /nfs/dbraw/zinc/43/88/85/734438885.db2.gz YWZYSLIZWLBJSI-LBPRGKRZSA-N 0 3 264.325 1.144 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c([O-])c1 ZINC000840962715 734531150 /nfs/dbraw/zinc/53/11/50/734531150.db2.gz MYNILTUHVCGEPW-UKRRQHHQSA-N 0 3 295.379 1.668 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000817970873 734900965 /nfs/dbraw/zinc/90/09/65/734900965.db2.gz GNAFJKRNKBGUPO-NTZNESFSSA-N 0 3 292.379 1.970 20 10 CDCDHN O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2N1 ZINC000827141161 735061442 /nfs/dbraw/zinc/06/14/42/735061442.db2.gz PQNNGGNJTLSZJH-YPMHNXCESA-N 0 3 260.337 1.493 20 10 CDCDHN O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2N1 ZINC000827141161 735061450 /nfs/dbraw/zinc/06/14/50/735061450.db2.gz PQNNGGNJTLSZJH-YPMHNXCESA-N 0 3 260.337 1.493 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c1 ZINC000814172529 735245443 /nfs/dbraw/zinc/24/54/43/735245443.db2.gz QLWHFCTYYFAHLA-WDNDVIMCSA-N 0 3 263.337 1.461 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c1 ZINC000814172529 735245446 /nfs/dbraw/zinc/24/54/46/735245446.db2.gz QLWHFCTYYFAHLA-WDNDVIMCSA-N 0 3 263.337 1.461 20 10 CDCDHN CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000232643978 735751299 /nfs/dbraw/zinc/75/12/99/735751299.db2.gz HLZZKNNYJBQAHL-VIFPVBQESA-N 0 3 254.305 1.534 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877034482 736084398 /nfs/dbraw/zinc/08/43/98/736084398.db2.gz IOGHEGCDEDTGHP-AWEZNQCLSA-N 0 3 253.342 1.578 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC000884222829 736084414 /nfs/dbraw/zinc/08/44/14/736084414.db2.gz BNLGNUCANMPYCF-AWEZNQCLSA-N 0 3 279.384 1.041 20 10 CDCDHN COC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876880355 736328980 /nfs/dbraw/zinc/32/89/80/736328980.db2.gz TUZNYDRCWXCALI-UHFFFAOYSA-N 0 3 251.326 1.989 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173741321 912773096 /nfs/dbraw/zinc/77/30/96/912773096.db2.gz WLQFBCKWHZXANJ-RYUDHWBXSA-N 0 3 289.339 1.358 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764625 912817792 /nfs/dbraw/zinc/81/77/92/912817792.db2.gz BHICFLCJIAJQNR-ZIAGYGMSSA-N 0 3 299.378 1.921 20 10 CDCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764625 912817809 /nfs/dbraw/zinc/81/78/09/912817809.db2.gz BHICFLCJIAJQNR-ZIAGYGMSSA-N 0 3 299.378 1.921 20 10 CDCDHN C[C@H]([NH3+])CN(C)Cc1c([O-])cccc1Br ZINC000706847417 895832604 /nfs/dbraw/zinc/83/26/04/895832604.db2.gz ZKNPJHSLHJEOSH-QMMMGPOBSA-N 0 3 273.174 1.934 20 10 CDCDHN COc1cc(CN2CCC[C@H](O)[C@H](C)C2)cc(O)c1O ZINC001204341844 917877698 /nfs/dbraw/zinc/87/76/98/917877698.db2.gz HCHRJGNWIIKMMP-PWSUYJOCSA-N 0 3 281.352 1.699 20 10 CDCDHN C[C@]1(O)COCCN(Cc2cc(F)ccc2O)C1 ZINC001140058065 936675091 /nfs/dbraw/zinc/67/50/91/936675091.db2.gz RPWLOBLAXMPUFO-CYBMUJFWSA-N 0 3 255.289 1.115 20 10 CDCDHN Cc1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001140951077 936783437 /nfs/dbraw/zinc/78/34/37/936783437.db2.gz XTWXJGHOFZRVGE-CQSZACIVSA-N 0 3 276.380 1.606 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H](O)C2)c(OC)c1 ZINC001141031251 936794785 /nfs/dbraw/zinc/79/47/85/936794785.db2.gz AELWHYGMRFZQPA-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H](O)C2)c(OC)c1 ZINC001141031251 936794786 /nfs/dbraw/zinc/79/47/86/936794786.db2.gz AELWHYGMRFZQPA-NSHDSACASA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@H](O)C2)c(OC)c1 ZINC001141031483 936796031 /nfs/dbraw/zinc/79/60/31/936796031.db2.gz GRDQKHIFDVPOAK-SNVBAGLBSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC001141031483 936796032 /nfs/dbraw/zinc/79/60/32/936796032.db2.gz GRDQKHIFDVPOAK-SNVBAGLBSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC001141031483 936796034 /nfs/dbraw/zinc/79/60/34/936796034.db2.gz GRDQKHIFDVPOAK-SNVBAGLBSA-N 0 3 267.325 1.366 20 10 CDCDHN C[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C[C@H]1O ZINC001141141115 936818555 /nfs/dbraw/zinc/81/85/55/936818555.db2.gz UEGDMPGCJLUVCL-IUODEOHRSA-N 0 3 276.380 1.718 20 10 CDCDHN CN1CC[C@@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284138 925745429 /nfs/dbraw/zinc/74/54/29/925745429.db2.gz FVFKEJKRPOEKND-HNNXBMFYSA-N 0 3 278.327 1.728 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001168987236 927622063 /nfs/dbraw/zinc/62/20/63/927622063.db2.gz HRMHATOHZADLSH-KOLCDFICSA-N 0 3 266.297 1.633 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000783507662 937274037 /nfs/dbraw/zinc/27/40/37/937274037.db2.gz DJLPPFWOJDRNIF-CHWSQXEVSA-N 0 3 264.369 1.764 20 10 CDCDHN COCCC1([NH3+])CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148223943 932672177 /nfs/dbraw/zinc/67/21/77/932672177.db2.gz ANBXWDHZXJSBRS-UHFFFAOYSA-N 0 3 294.351 1.068 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C(C)(C)O)cc1 ZINC001121909330 937889242 /nfs/dbraw/zinc/88/92/42/937889242.db2.gz ODWWRPQIIVOSCJ-CQSZACIVSA-N 0 3 293.411 1.247 20 10 CDCDHN CN1CC2(CC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203561813 939693492 /nfs/dbraw/zinc/69/34/92/939693492.db2.gz ZZGVJAMWLQVNAI-UHFFFAOYSA-N 0 3 274.364 1.837 20 10 CDCDHN COc1ccc(C[N@@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001203617377 939696496 /nfs/dbraw/zinc/69/64/96/939696496.db2.gz PDGZEUWDLIOKGM-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001203617377 939696497 /nfs/dbraw/zinc/69/64/97/939696497.db2.gz PDGZEUWDLIOKGM-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203630809 939698502 /nfs/dbraw/zinc/69/85/02/939698502.db2.gz WIGMYEHDQPOYMH-CZUORRHYSA-N 0 3 293.363 1.496 20 10 CDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203630809 939698503 /nfs/dbraw/zinc/69/85/03/939698503.db2.gz WIGMYEHDQPOYMH-CZUORRHYSA-N 0 3 293.363 1.496 20 10 CDCDHN COCC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203873558 939709814 /nfs/dbraw/zinc/70/98/14/939709814.db2.gz FWJUCPSIGPEOLS-UHFFFAOYSA-N 0 3 251.326 1.956 20 10 CDCDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(O)cc2O)C1 ZINC001204276558 939751378 /nfs/dbraw/zinc/75/13/78/939751378.db2.gz NBZFGYWRVIISSZ-LBPRGKRZSA-N 0 3 291.269 1.845 20 10 CDCDHN O=C1CCN(Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001204320185 939755446 /nfs/dbraw/zinc/75/54/46/939755446.db2.gz NWVZBXVIMUAQMQ-UHFFFAOYSA-N 0 3 273.380 1.609 20 10 CDCDHN OC[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204326380 939756140 /nfs/dbraw/zinc/75/61/40/939756140.db2.gz XQHCLLDHIAEJFK-RDJZCZTQSA-N 0 3 290.407 1.462 20 10 CDCDHN C[C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@H]1C[NH3+] ZINC001205150641 939829264 /nfs/dbraw/zinc/82/92/64/939829264.db2.gz GNGKOZARMYQKMI-DTWKUNHWSA-N 0 3 256.296 1.697 20 10 CDCDHN Cc1cccc(CN2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001231593729 942938445 /nfs/dbraw/zinc/93/84/45/942938445.db2.gz LPKNMEQYCUHLOK-AWEZNQCLSA-N 0 3 276.380 1.606 20 10 CDCDHN CC(C)(C)c1ccc(O)c(CN2CCOC[C@H](O)C2)c1 ZINC001233284243 943531297 /nfs/dbraw/zinc/53/12/97/943531297.db2.gz NGFVNFXJNLCQFQ-CQSZACIVSA-N 0 3 279.380 1.883 20 10 CDCDHN CCCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485183 943592169 /nfs/dbraw/zinc/59/21/69/943592169.db2.gz MBWNLQKYAHSKQM-UHFFFAOYSA-N 0 3 280.368 1.721 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236286140 944445317 /nfs/dbraw/zinc/44/53/17/944445317.db2.gz LCSSOTAIVVECLV-KCJUWKMLSA-N 0 3 283.169 1.558 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001236793697 944571559 /nfs/dbraw/zinc/57/15/59/944571559.db2.gz DZVSFSMVEHGXNR-INIZCTEOSA-N 0 3 290.407 1.861 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001236793697 944571562 /nfs/dbraw/zinc/57/15/62/944571562.db2.gz DZVSFSMVEHGXNR-INIZCTEOSA-N 0 3 290.407 1.861 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001237685383 944925865 /nfs/dbraw/zinc/92/58/65/944925865.db2.gz MMNCNOUHXQKSLA-YPMHNXCESA-N 0 3 294.782 1.874 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001237685383 944925869 /nfs/dbraw/zinc/92/58/69/944925869.db2.gz MMNCNOUHXQKSLA-YPMHNXCESA-N 0 3 294.782 1.874 20 10 CDCDHN CN(C)c1cc(F)c(CNCCc2nnc[nH]2)cc1F ZINC001261787656 946278213 /nfs/dbraw/zinc/27/82/13/946278213.db2.gz WJTGTLHAJFBRRP-UHFFFAOYSA-N 0 3 281.310 1.481 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001249174047 949440683 /nfs/dbraw/zinc/44/06/83/949440683.db2.gz YIWYWQRCNPVPBG-UHFFFAOYSA-N 0 3 279.336 1.064 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249173707 949444441 /nfs/dbraw/zinc/44/44/41/949444441.db2.gz VKFQXBGHWXNKKK-SMDDNHRTSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249173707 949444456 /nfs/dbraw/zinc/44/44/56/949444456.db2.gz VKFQXBGHWXNKKK-SMDDNHRTSA-N 0 3 293.363 1.310 20 10 CDCDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1 ZINC001327419250 954873856 /nfs/dbraw/zinc/87/38/56/954873856.db2.gz GYRBDHXFWIUWEL-AWEZNQCLSA-N 0 3 287.407 1.997 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC001333352702 958275927 /nfs/dbraw/zinc/27/59/27/958275927.db2.gz MRHCDCKLLATHSC-CQSZACIVSA-N 0 3 286.379 1.803 20 10 CDCDHN COCCN1CCN(Cc2cccc(C)c2O)CC1 ZINC000179641214 357218465 /nfs/dbraw/zinc/21/84/65/357218465.db2.gz JZGTUFAZICAZFL-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@H](C)O)CC2)c1O ZINC000189837061 358041692 /nfs/dbraw/zinc/04/16/92/358041692.db2.gz UMOMGWBZBMYPJN-ZDUSSCGKSA-N 0 3 264.369 1.199 20 10 CDCDHN O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(O)c1[O-] ZINC000192987509 358255362 /nfs/dbraw/zinc/25/53/62/358255362.db2.gz IOCXGUAFNDVVIZ-UHFFFAOYSA-N 0 3 290.363 1.702 20 10 CDCDHN CCCN(CC(=O)N(C)C)Cc1ccccc1O ZINC000112466227 359325689 /nfs/dbraw/zinc/32/56/89/359325689.db2.gz AKZVZANMJAEKCB-UHFFFAOYSA-N 0 3 250.342 1.692 20 10 CDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610483 359703264 /nfs/dbraw/zinc/70/32/64/359703264.db2.gz ONUAIZSMICXJPS-PRHODGIISA-N 0 3 259.346 1.733 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](CO)CCOC)c1[O-] ZINC000282122576 363959506 /nfs/dbraw/zinc/95/95/06/363959506.db2.gz FQYYHRIRNRVCCQ-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000268499908 364056898 /nfs/dbraw/zinc/05/68/98/364056898.db2.gz XBVNUUOFCHGBTM-HNNXBMFYSA-N 0 3 293.319 1.506 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000268499908 364056901 /nfs/dbraw/zinc/05/69/01/364056901.db2.gz XBVNUUOFCHGBTM-HNNXBMFYSA-N 0 3 293.319 1.506 20 10 CDCDHN COCCN(C)CCNC(=O)N(C)Cc1ccccc1O ZINC000171212145 365227749 /nfs/dbraw/zinc/22/77/49/365227749.db2.gz VWGJYKPUAFELQP-UHFFFAOYSA-N 0 3 295.383 1.112 20 10 CDCDHN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C ZINC000272395170 365218863 /nfs/dbraw/zinc/21/88/63/365218863.db2.gz HIOHSSKCTQPNNP-STUBTGCMSA-N 0 3 264.325 1.177 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c([O-])c1 ZINC000293885062 370841645 /nfs/dbraw/zinc/84/16/45/370841645.db2.gz VPQHRFMSVLOQLZ-CABCVRRESA-N 0 3 291.439 1.905 20 10 CDCDHN COCC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000282058482 367715852 /nfs/dbraw/zinc/71/58/52/367715852.db2.gz BEKXYMUTWRVWFN-CYBMUJFWSA-N 0 3 253.342 1.496 20 10 CDCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864729 368075434 /nfs/dbraw/zinc/07/54/34/368075434.db2.gz UVUZCYJAURFEEM-NWDGAFQWSA-N 0 3 281.375 1.877 20 10 CDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864731 368075823 /nfs/dbraw/zinc/07/58/23/368075823.db2.gz UVUZCYJAURFEEM-RYUDHWBXSA-N 0 3 281.375 1.877 20 10 CDCDHN CCCN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000295022849 371118320 /nfs/dbraw/zinc/11/83/20/371118320.db2.gz CKRINUHHAIGAHH-LBPRGKRZSA-N 0 3 291.395 1.866 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000295817063 371398294 /nfs/dbraw/zinc/39/82/94/371398294.db2.gz BMUJCUNKMLWUCQ-ZDUSSCGKSA-N 0 3 278.396 1.808 20 10 CDCDHN O=S1(=O)CCC[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000289941631 378356118 /nfs/dbraw/zinc/35/61/18/378356118.db2.gz BDYIIGKOESCJJB-ZDUSSCGKSA-N 0 3 295.404 1.536 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000294056250 378620577 /nfs/dbraw/zinc/62/05/77/378620577.db2.gz PSXQZMSDTUUZKM-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000294056250 378620581 /nfs/dbraw/zinc/62/05/81/378620581.db2.gz PSXQZMSDTUUZKM-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(CNC(=O)[C@@H](C(C)C)N(C)C)c1O ZINC000106916193 390561501 /nfs/dbraw/zinc/56/15/01/390561501.db2.gz UJAKGFPSQVCMMU-CYBMUJFWSA-N 0 3 280.368 1.603 20 10 CDCDHN CNC(=O)[C@H]1CCCCN1Cc1cc(C)ccc1O ZINC000133040125 390901016 /nfs/dbraw/zinc/90/10/16/390901016.db2.gz CZUCFRPIEHOUKP-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000373737049 391129575 /nfs/dbraw/zinc/12/95/75/391129575.db2.gz FOQAKHQTPPZLJT-IMJJTQAJSA-N 0 3 287.407 1.838 20 10 CDCDHN CCCN(CC(=O)NCCOCC)Cc1ccccc1O ZINC000175949019 391143526 /nfs/dbraw/zinc/14/35/26/391143526.db2.gz DYPQQIGMINUNDX-UHFFFAOYSA-N 0 3 294.395 1.757 20 10 CDCDHN Cc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1[O-] ZINC000124708523 391223330 /nfs/dbraw/zinc/22/33/30/391223330.db2.gz UOMAOEJHFBFSBP-UHFFFAOYSA-N 0 3 262.353 1.849 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183502141 391266162 /nfs/dbraw/zinc/26/61/62/391266162.db2.gz ZRRCKCFTMZFBOC-KGLIPLIRSA-N 0 3 277.412 1.679 20 10 CDCDHN COCC[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000282108683 391672719 /nfs/dbraw/zinc/67/27/19/391672719.db2.gz DRXQNUZHGXOARI-ZDUSSCGKSA-N 0 3 251.326 1.109 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000227440219 392018841 /nfs/dbraw/zinc/01/88/41/392018841.db2.gz YBRZBYILDSSLGP-GFCCVEGCSA-N 0 3 250.342 1.585 20 10 CDCDHN CN1CCN(C)[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297704454 392442316 /nfs/dbraw/zinc/44/23/16/392442316.db2.gz MNNHOLIODUWJDY-ZIAGYGMSSA-N 0 3 275.396 1.215 20 10 CDCDHN COc1cccc(C[NH2+]CCNC(=O)C(C)C)c1[O-] ZINC000020125239 171008249 /nfs/dbraw/zinc/00/82/49/171008249.db2.gz LPFZHFVVYXYILH-UHFFFAOYSA-N 0 3 266.341 1.263 20 10 CDCDHN COc1ccc(N2CCN(CCC(C)(C)O)CC2)cc1 ZINC000081675885 260184496 /nfs/dbraw/zinc/18/44/96/260184496.db2.gz SDXMMSDNJCBLRE-UHFFFAOYSA-N 0 3 278.396 1.978 20 10 CDCDHN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000128124367 260372323 /nfs/dbraw/zinc/37/23/23/260372323.db2.gz VZKSFRIDITXTGP-STQMWFEESA-N 0 3 265.309 1.370 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1[O-] ZINC000155547506 261103531 /nfs/dbraw/zinc/10/35/31/261103531.db2.gz QICNMKDGPXWHID-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c1[O-] ZINC000155547506 261103533 /nfs/dbraw/zinc/10/35/33/261103533.db2.gz QICNMKDGPXWHID-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1F ZINC000157120233 261140802 /nfs/dbraw/zinc/14/08/02/261140802.db2.gz HUSFYKSUIYAFHW-NSHDSACASA-N 0 3 265.332 1.199 20 10 CDCDHN COC(=O)N1CC(N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000186137425 262081063 /nfs/dbraw/zinc/08/10/63/262081063.db2.gz REFHJNCIYLCQRH-SECBINFHSA-N 0 3 280.324 1.502 20 10 CDCDHN CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000184921908 262300368 /nfs/dbraw/zinc/30/03/68/262300368.db2.gz AUNKUQGKSQKAKW-NSHDSACASA-N 0 3 250.342 1.877 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185830117 327846936 /nfs/dbraw/zinc/84/69/36/327846936.db2.gz XEPNJVKASFDIDU-GRYCIOLGSA-N 0 3 263.337 1.988 20 10 CDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cn[nH]c1 ZINC000229884893 333310835 /nfs/dbraw/zinc/31/08/35/333310835.db2.gz ZBGJRXPFDLOVNX-MRVPVSSYSA-N 0 3 261.281 1.695 20 10 CDCDHN C[C@H](CC(N)=O)NCc1ccc2c(c1)CCCN2C ZINC000135727627 334137076 /nfs/dbraw/zinc/13/70/76/334137076.db2.gz PCZSIXCKQLYSMQ-LLVKDONJSA-N 0 3 261.369 1.423 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252673815 334384755 /nfs/dbraw/zinc/38/47/55/334384755.db2.gz MNKSUBBOFJJVEM-GJZGRUSLSA-N 0 3 276.380 1.653 20 10 CDCDHN CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812073 522748115 /nfs/dbraw/zinc/74/81/15/522748115.db2.gz YBACIZUZYCQUQB-UONOGXRCSA-N 0 3 275.352 1.900 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000273371038 523874613 /nfs/dbraw/zinc/87/46/13/523874613.db2.gz CKMOZWBKFUUMPA-AAEUAGOBSA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CC2(N3CCOCC3)CC2)cc1C ZINC000277500246 525322025 /nfs/dbraw/zinc/32/20/25/525322025.db2.gz PBJDLXYEPQWKIW-UHFFFAOYSA-N 0 3 290.407 1.963 20 10 CDCDHN C[C@@H](O)CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227962386 525757274 /nfs/dbraw/zinc/75/72/74/525757274.db2.gz FURGPIRSHVTTIM-SECBINFHSA-N 0 3 253.298 1.372 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCc1cccnc1)OCO2 ZINC000042880179 526336357 /nfs/dbraw/zinc/33/63/57/526336357.db2.gz CTMDDWZVLQNFFY-UHFFFAOYSA-N 0 3 272.304 1.848 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291351934 527594701 /nfs/dbraw/zinc/59/47/01/527594701.db2.gz XJJNDWORWUKBJK-NSHDSACASA-N 0 3 257.280 1.842 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291351934 527594704 /nfs/dbraw/zinc/59/47/04/527594704.db2.gz XJJNDWORWUKBJK-NSHDSACASA-N 0 3 257.280 1.842 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000754831886 575074765 /nfs/dbraw/zinc/07/47/65/575074765.db2.gz BGXBWIDGCGDRKC-GFCCVEGCSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc(C[NH2+]CCC[S@](C)=O)c([O-])c1 ZINC000735084893 575422797 /nfs/dbraw/zinc/42/27/97/575422797.db2.gz AIXMKVRTFGYFMD-SFHVURJKSA-N 0 3 271.382 1.649 20 10 CDCDHN COCC1(O)CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000768466336 576288143 /nfs/dbraw/zinc/28/81/43/576288143.db2.gz ZKIIXPPASCFSNC-UHFFFAOYSA-N 0 3 295.379 1.683 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000756616000 576997402 /nfs/dbraw/zinc/99/74/02/576997402.db2.gz YILIXKAAEMIXSN-LKFCYVNXSA-N 0 3 279.315 1.649 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000758505019 577112304 /nfs/dbraw/zinc/11/23/04/577112304.db2.gz KEJHZZPZVISVOA-LLVKDONJSA-N 0 3 273.336 1.771 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000779199754 617412393 /nfs/dbraw/zinc/41/23/93/617412393.db2.gz KVJLTWNMIZSBJH-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000779199754 617412397 /nfs/dbraw/zinc/41/23/97/617412397.db2.gz KVJLTWNMIZSBJH-ZYHUDNBSSA-N 0 3 251.326 1.604 20 10 CDCDHN COC1CCN(c2ccc(CN3CC[C@H]3CO)cc2)CC1 ZINC000934019930 617859360 /nfs/dbraw/zinc/85/93/60/617859360.db2.gz TUWFJQUJEXGYBJ-INIZCTEOSA-N 0 3 290.407 1.868 20 10 CDCDHN COc1cc(C)cc(CN[C@H]2CCCS(=O)(=O)C2)c1O ZINC000894288334 618495311 /nfs/dbraw/zinc/49/53/11/618495311.db2.gz SBBCBCCZSGEVHI-LBPRGKRZSA-N 0 3 299.392 1.376 20 10 CDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000895316056 619546378 /nfs/dbraw/zinc/54/63/78/619546378.db2.gz HJLZMRUWKMYGPQ-ZDUSSCGKSA-N 0 3 260.337 1.236 20 10 CDCDHN OC1CCN(c2ccc(CNCc3c[nH]cn3)cc2)CC1 ZINC000895333767 619572996 /nfs/dbraw/zinc/57/29/96/619572996.db2.gz DTTHXHYXKHACPU-UHFFFAOYSA-N 0 3 286.379 1.661 20 10 CDCDHN OC1CCN(c2ccc(CNCc3cnc[nH]3)cc2)CC1 ZINC000895333767 619573000 /nfs/dbraw/zinc/57/30/00/619573000.db2.gz DTTHXHYXKHACPU-UHFFFAOYSA-N 0 3 286.379 1.661 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000897891562 621196778 /nfs/dbraw/zinc/19/67/78/621196778.db2.gz HZGDWWHKTFHJHG-UKRRQHHQSA-N 0 3 282.359 1.785 20 10 CDCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717777 630609650 /nfs/dbraw/zinc/60/96/50/630609650.db2.gz LBLPPLDHCHOFCT-BBRMVZONSA-N 0 3 292.379 1.541 20 10 CDCDHN COc1ccc(CNC(=O)[C@@H](N)CC(C)C)c(O)c1 ZINC000083492337 736491316 /nfs/dbraw/zinc/49/13/16/736491316.db2.gz QGIXSALHEKBMSC-LBPRGKRZSA-N 0 3 266.341 1.390 20 10 CDCDHN CN1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000704318737 736561743 /nfs/dbraw/zinc/56/17/43/736561743.db2.gz ZEHBYUUCTLSITL-NSHDSACASA-N 0 3 252.289 1.242 20 10 CDCDHN Cc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)c([O-])c1 ZINC000876578218 736716798 /nfs/dbraw/zinc/71/67/98/736716798.db2.gz FPWISJHFBOIRPU-UHFFFAOYSA-N 0 3 292.379 1.021 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000795581240 737136496 /nfs/dbraw/zinc/13/64/96/737136496.db2.gz GSIKJWVKZDNSRI-ZIAGYGMSSA-N 0 3 295.379 1.526 20 10 CDCDHN CN(C)c1cc(F)c(CNCCN2CC[C@H](O)C2)cc1F ZINC000858340974 737253201 /nfs/dbraw/zinc/25/32/01/737253201.db2.gz UITFFCVTWBMJAM-LBPRGKRZSA-N 0 3 299.365 1.187 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(C)C)c1 ZINC000228930244 737295192 /nfs/dbraw/zinc/29/51/92/737295192.db2.gz OFNGBIHDBFKCBL-MNOVXSKESA-N 0 3 280.368 1.965 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000793389632 737731603 /nfs/dbraw/zinc/73/16/03/737731603.db2.gz KWGPQQVQIJWTLX-OAHLLOKOSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000793389632 737731611 /nfs/dbraw/zinc/73/16/11/737731611.db2.gz KWGPQQVQIJWTLX-OAHLLOKOSA-N 0 3 278.352 1.488 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000862512387 737762860 /nfs/dbraw/zinc/76/28/60/737762860.db2.gz SVTBIRLYIMPZOU-IUODEOHRSA-N 0 3 296.436 1.726 20 10 CDCDHN Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000877477989 737793758 /nfs/dbraw/zinc/79/37/58/737793758.db2.gz JKPYUMIOUHUKPJ-UHFFFAOYSA-N 0 3 276.380 1.655 20 10 CDCDHN CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648753 737902318 /nfs/dbraw/zinc/90/23/18/737902318.db2.gz CKYBXJRJNCDLAK-LLVKDONJSA-N 0 3 293.367 1.669 20 10 CDCDHN Cc1cc(CN2CCSC[C@H]2CO)ccc1N(C)C ZINC000815078144 737959843 /nfs/dbraw/zinc/95/98/43/737959843.db2.gz PHUVUSZYHXNWCQ-CQSZACIVSA-N 0 3 280.437 1.971 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883263304 738005245 /nfs/dbraw/zinc/00/52/45/738005245.db2.gz PCGUKPILSYIDAN-XYPYZODXSA-N 0 3 251.326 1.915 20 10 CDCDHN CS[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840112509 738066828 /nfs/dbraw/zinc/06/68/28/738066828.db2.gz DFGRXBSKPGWQLY-GXFFZTMASA-N 0 3 281.377 1.755 20 10 CDCDHN CS[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840112509 738066832 /nfs/dbraw/zinc/06/68/32/738066832.db2.gz DFGRXBSKPGWQLY-GXFFZTMASA-N 0 3 281.377 1.755 20 10 CDCDHN COc1cccc(C[N@@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076419 738094694 /nfs/dbraw/zinc/09/46/94/738094694.db2.gz PZDWHQKNRDNLBZ-UHFFFAOYSA-N 0 3 280.368 1.858 20 10 CDCDHN COc1cccc(C[N@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076419 738094701 /nfs/dbraw/zinc/09/47/01/738094701.db2.gz PZDWHQKNRDNLBZ-UHFFFAOYSA-N 0 3 280.368 1.858 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C1CCOCC1)CC2 ZINC000834761959 738176594 /nfs/dbraw/zinc/17/65/94/738176594.db2.gz WJLOSYVPVVFREP-UONOGXRCSA-N 0 3 277.364 1.757 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCCc1cnn(C)n1 ZINC000815144438 738346867 /nfs/dbraw/zinc/34/68/67/738346867.db2.gz IWJWFLWDQKKDMM-UHFFFAOYSA-N 0 3 276.340 1.252 20 10 CDCDHN C[NH2+]CCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124709590 738648758 /nfs/dbraw/zinc/64/87/58/738648758.db2.gz JYNBOLFWPNOXPK-UHFFFAOYSA-N 0 3 268.332 1.775 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000876780537 738766869 /nfs/dbraw/zinc/76/68/69/738766869.db2.gz HBUHWGCKWXBOSF-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000876780537 738766877 /nfs/dbraw/zinc/76/68/77/738766877.db2.gz HBUHWGCKWXBOSF-LBPRGKRZSA-N 0 3 262.353 1.788 20 10 CDCDHN [O-]c1c(Br)cccc1CNC[C@@H]1CCC[NH2+]1 ZINC000841035703 736707259 /nfs/dbraw/zinc/70/72/59/736707259.db2.gz KEAWJYDKSDHTEA-JTQLQIEISA-N 0 3 285.185 1.996 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C)C2=O)c1 ZINC000121034288 736828345 /nfs/dbraw/zinc/82/83/45/736828345.db2.gz RHLWVLOMOXUSQY-CABZTGNLSA-N 0 3 264.325 1.282 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCCCS(C)(=O)=O ZINC000818224743 736850233 /nfs/dbraw/zinc/85/02/33/736850233.db2.gz PVTUDGQYCJOPEC-UHFFFAOYSA-N 0 3 287.381 1.315 20 10 CDCDHN C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834623944 737137805 /nfs/dbraw/zinc/13/78/05/737137805.db2.gz CLLFXOJVKDAADT-JQWIXIFHSA-N 0 3 283.393 1.792 20 10 CDCDHN Cc1cccc(O)c1CN1C[C@H](CO)OC(C)(C)C1 ZINC000877594066 737218220 /nfs/dbraw/zinc/21/82/20/737218220.db2.gz ANVRTRWXMUJRAI-GFCCVEGCSA-N 0 3 265.353 1.672 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000835080508 737241744 /nfs/dbraw/zinc/24/17/44/737241744.db2.gz RYANUEWKLLJPIJ-CHWSQXEVSA-N 0 3 251.326 1.794 20 10 CDCDHN NC1(C(=O)NCCCSc2nccs2)CC1 ZINC000237790092 737419060 /nfs/dbraw/zinc/41/90/60/737419060.db2.gz KMTYXHPTFANRAS-UHFFFAOYSA-N 0 3 257.384 1.233 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834783258 737627114 /nfs/dbraw/zinc/62/71/14/737627114.db2.gz DABCKOVRADSIDL-KBPBESRZSA-N 0 3 295.379 1.383 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(C)C1 ZINC000840933619 737862346 /nfs/dbraw/zinc/86/23/46/737862346.db2.gz QVHDPKOMDAHMIB-CYBMUJFWSA-N 0 3 261.369 1.381 20 10 CDCDHN COc1cccc([C@@H](C)NCC(=O)NCC2CC2)c1O ZINC000846164016 739120750 /nfs/dbraw/zinc/12/07/50/739120750.db2.gz UNAQGNCDCPAFQS-SNVBAGLBSA-N 0 3 278.352 1.578 20 10 CDCDHN Cc1ccc(C[NH2+]CCNc2cnccn2)c([O-])c1 ZINC000877085701 1165971939 /nfs/dbraw/zinc/97/19/39/1165971939.db2.gz QVDRDKXTJPHCQG-UHFFFAOYSA-N 0 3 258.325 1.692 20 10 CDCDHN CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650178 1166391347 /nfs/dbraw/zinc/39/13/47/1166391347.db2.gz NESVDIXMSJOMGR-NWDGAFQWSA-N 0 3 253.342 1.829 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764622 912821538 /nfs/dbraw/zinc/82/15/38/912821538.db2.gz BHICFLCJIAJQNR-KBPBESRZSA-N 0 3 299.378 1.921 20 10 CDCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764622 912821546 /nfs/dbraw/zinc/82/15/46/912821546.db2.gz BHICFLCJIAJQNR-KBPBESRZSA-N 0 3 299.378 1.921 20 10 CDCDHN O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000694583682 898555720 /nfs/dbraw/zinc/55/57/20/898555720.db2.gz GNNUJVMGKLRGTK-QWHCGFSZSA-N 0 3 295.404 1.936 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172597981 911762485 /nfs/dbraw/zinc/76/24/85/911762485.db2.gz PZJYHUUZIDZEOG-PWSUYJOCSA-N 0 3 279.336 1.919 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172600985 911769595 /nfs/dbraw/zinc/76/95/95/911769595.db2.gz HCSTVAZPLMNROJ-PWSUYJOCSA-N 0 3 279.336 1.919 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(OC)c1 ZINC001141029629 936794856 /nfs/dbraw/zinc/79/48/56/936794856.db2.gz YFBOCNHEVJMPIA-NSODJVPESA-N 0 3 293.363 1.876 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(OC)c1 ZINC001141029629 936794859 /nfs/dbraw/zinc/79/48/59/936794859.db2.gz YFBOCNHEVJMPIA-NSODJVPESA-N 0 3 293.363 1.876 20 10 CDCDHN COc1cc(O)c(CN2CCN3CC[C@@H]3C2)c(OC)c1 ZINC001141032892 936795906 /nfs/dbraw/zinc/79/59/06/936795906.db2.gz RIIBFTQVESMKKJ-LLVKDONJSA-N 0 3 278.352 1.299 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C2)c(OC)c1 ZINC001141028524 936794275 /nfs/dbraw/zinc/79/42/75/936794275.db2.gz SCKGXXXUARHUJL-SNVBAGLBSA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C2)c(OC)c1 ZINC001141028524 936794277 /nfs/dbraw/zinc/79/42/77/936794277.db2.gz SCKGXXXUARHUJL-SNVBAGLBSA-N 0 3 267.325 1.630 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@H](OC)C2)c(OC)c1 ZINC001141028524 936794280 /nfs/dbraw/zinc/79/42/80/936794280.db2.gz SCKGXXXUARHUJL-SNVBAGLBSA-N 0 3 267.325 1.630 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000797605721 937333847 /nfs/dbraw/zinc/33/38/47/937333847.db2.gz VWCFGJKKWZOKFP-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000797605721 937333850 /nfs/dbraw/zinc/33/38/50/937333850.db2.gz VWCFGJKKWZOKFP-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2CC)c([O-])c1 ZINC000883360988 930190211 /nfs/dbraw/zinc/19/02/11/930190211.db2.gz QMFGOYOLDLFZFG-CYBMUJFWSA-N 0 3 264.369 1.975 20 10 CDCDHN CC(C)(C)OC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001253479772 930803045 /nfs/dbraw/zinc/80/30/45/930803045.db2.gz RXICUVNCQSVPEH-NSHDSACASA-N 0 3 269.341 1.363 20 10 CDCDHN Cc1ccc(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276168559 932589319 /nfs/dbraw/zinc/58/93/19/932589319.db2.gz GEIOJBUWPBYKSV-UHFFFAOYSA-N 0 3 298.390 1.742 20 10 CDCDHN C[NH+](C)CCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001148220031 932672530 /nfs/dbraw/zinc/67/25/30/932672530.db2.gz MBEDRWQMKHBNBM-UHFFFAOYSA-N 0 3 266.341 1.558 20 10 CDCDHN O=C(NCC12CC[NH+](CC1)CC2)c1cc(O)c([O-])c(O)c1 ZINC001148589968 932755250 /nfs/dbraw/zinc/75/52/50/932755250.db2.gz STPPRXVRXNSYBK-UHFFFAOYSA-N 0 3 292.335 1.019 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000779499314 934590105 /nfs/dbraw/zinc/59/01/05/934590105.db2.gz MVHQIPPQHAQEOG-RDNKVPPGSA-N 0 3 288.347 1.464 20 10 CDCDHN Nc1ccc(CNc2ncc3c(n2)CCNC3)cc1 ZINC001162784319 939137815 /nfs/dbraw/zinc/13/78/15/939137815.db2.gz KPAKFJGPCWUSFB-UHFFFAOYSA-N 0 3 255.325 1.317 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c([O-])c1 ZINC001203634373 939698956 /nfs/dbraw/zinc/69/89/56/939698956.db2.gz BVSLVOYQMHZFHV-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(OC)cc2O)C1 ZINC001203635132 939699069 /nfs/dbraw/zinc/69/90/69/939699069.db2.gz KVZGQDBHBHJOKT-LBPRGKRZSA-N 0 3 293.367 1.294 20 10 CDCDHN Oc1ccc(CN2CCN3CCCC[C@H]3C2)cc1O ZINC001203879393 939711049 /nfs/dbraw/zinc/71/10/49/939711049.db2.gz PGDDUPLTGBZICP-ZDUSSCGKSA-N 0 3 262.353 1.768 20 10 CDCDHN CN1C(=O)CC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203883736 939711918 /nfs/dbraw/zinc/71/19/18/939711918.db2.gz MWBRHPMEMZCIOB-QWHCGFSZSA-N 0 3 290.363 1.541 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204275855 939750056 /nfs/dbraw/zinc/75/00/56/939750056.db2.gz CXHOQMNWYUUMKG-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204275855 939750059 /nfs/dbraw/zinc/75/00/59/939750059.db2.gz CXHOQMNWYUUMKG-MFKMUULPSA-N 0 3 251.326 1.691 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001204276792 939751725 /nfs/dbraw/zinc/75/17/25/939751725.db2.gz RKBWHKBYFCGZHX-ZDUSSCGKSA-N 0 3 279.336 1.214 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1Cl ZINC001204830132 939796343 /nfs/dbraw/zinc/79/63/43/939796343.db2.gz KXGIDUCHKGJADY-ZJUUUORDSA-N 0 3 274.723 1.535 20 10 CDCDHN [NH3+]C[C@]1(O)CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001205681126 939917827 /nfs/dbraw/zinc/91/78/27/939917827.db2.gz FOJOKBPIUUZNTL-CQSZACIVSA-N 0 3 286.322 1.346 20 10 CDCDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(F)c1[O-])C2 ZINC001276537843 940210763 /nfs/dbraw/zinc/21/07/63/940210763.db2.gz NTRSPLFTBLMCMH-PWSUYJOCSA-N 0 3 250.317 1.667 20 10 CDCDHN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(F)c1[O-])C2 ZINC001276537843 940210768 /nfs/dbraw/zinc/21/07/68/940210768.db2.gz NTRSPLFTBLMCMH-PWSUYJOCSA-N 0 3 250.317 1.667 20 10 CDCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC001218423915 941215611 /nfs/dbraw/zinc/21/56/11/941215611.db2.gz QBHYYLZBBLZIPB-FZNQNYSPSA-N 0 3 276.380 1.731 20 10 CDCDHN O=C(NCc1ccccc1O)[C@@H]1C[C@@H](F)CCN1 ZINC001219923602 941396949 /nfs/dbraw/zinc/39/69/49/941396949.db2.gz TUXVKKPDXIIKHV-QWRGUYRKSA-N 0 3 252.289 1.099 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1Cl ZINC001231867168 943034943 /nfs/dbraw/zinc/03/49/43/943034943.db2.gz HZMBEUSBXPJQGL-YGRLFVJLSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1Cl ZINC001231867168 943034950 /nfs/dbraw/zinc/03/49/50/943034950.db2.gz HZMBEUSBXPJQGL-YGRLFVJLSA-N 0 3 285.771 1.529 20 10 CDCDHN Oc1ccc(F)c(F)c1CN1CCN(C2CC2)CC1 ZINC001233331981 943547147 /nfs/dbraw/zinc/54/71/47/943547147.db2.gz SKBXETJXRKBYAP-UHFFFAOYSA-N 0 3 268.307 1.950 20 10 CDCDHN CC(=O)N1CCC[C@H](N(C)Cc2cc(O)c(O)cc2O)C1 ZINC001233487228 943595809 /nfs/dbraw/zinc/59/58/09/943595809.db2.gz VPYJOSGBOPFBMM-LBPRGKRZSA-N 0 3 294.351 1.246 20 10 CDCDHN [NH3+][C@]12C[C@H]1CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001236027761 944382247 /nfs/dbraw/zinc/38/22/47/944382247.db2.gz ONTLEMHWVRVNGQ-JQWIXIFHSA-N 0 3 272.270 1.944 20 10 CDCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236289796 944448859 /nfs/dbraw/zinc/44/88/59/944448859.db2.gz QLAVDYRDESPTAW-MWLCHTKSSA-N 0 3 283.169 1.558 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236808113 944576506 /nfs/dbraw/zinc/57/65/06/944576506.db2.gz MRRJUKDBBDQCPQ-INIZCTEOSA-N 0 3 290.363 1.421 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236808113 944576513 /nfs/dbraw/zinc/57/65/13/944576513.db2.gz MRRJUKDBBDQCPQ-INIZCTEOSA-N 0 3 290.363 1.421 20 10 CDCDHN COc1cc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c([O-])c1 ZINC001236818277 944581273 /nfs/dbraw/zinc/58/12/73/944581273.db2.gz KUSRZEYARCBUAR-UHFFFAOYSA-N 0 3 293.367 1.342 20 10 CDCDHN O=C1CC[N@H+](Cc2cc3ccccc3cc2[O-])CCN1 ZINC001236840935 944591136 /nfs/dbraw/zinc/59/11/36/944591136.db2.gz UIDXWLIESDULLJ-UHFFFAOYSA-N 0 3 270.332 1.867 20 10 CDCDHN O=C1CC[N@@H+](Cc2cc3ccccc3cc2[O-])CCN1 ZINC001236840935 944591142 /nfs/dbraw/zinc/59/11/42/944591142.db2.gz UIDXWLIESDULLJ-UHFFFAOYSA-N 0 3 270.332 1.867 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])c1 ZINC001237041913 944644470 /nfs/dbraw/zinc/64/44/70/944644470.db2.gz PYNYRYBQBLOQMY-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN CC(=O)N(C)[C@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238065785 945046950 /nfs/dbraw/zinc/04/69/50/945046950.db2.gz FHRLNEADBMQAHR-AWEZNQCLSA-N 0 3 280.343 1.892 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC001249171779 949435355 /nfs/dbraw/zinc/43/53/55/949435355.db2.gz FOFYLPZQRTUOJY-LBPRGKRZSA-N 0 3 293.363 1.576 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC001249171779 949435368 /nfs/dbraw/zinc/43/53/68/949435368.db2.gz FOFYLPZQRTUOJY-LBPRGKRZSA-N 0 3 293.363 1.576 20 10 CDCDHN CC[N@H+](CCOC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172655 949441556 /nfs/dbraw/zinc/44/15/56/949441556.db2.gz OWHPSFPURSPAOV-UHFFFAOYSA-N 0 3 281.352 1.576 20 10 CDCDHN CC[N@@H+](CCOC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172655 949441576 /nfs/dbraw/zinc/44/15/76/949441576.db2.gz OWHPSFPURSPAOV-UHFFFAOYSA-N 0 3 281.352 1.576 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249215289 949458496 /nfs/dbraw/zinc/45/84/96/949458496.db2.gz ZLZWPUYTNYUYAA-ZDUSSCGKSA-N 0 3 291.347 1.519 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249215289 949458520 /nfs/dbraw/zinc/45/85/20/949458520.db2.gz ZLZWPUYTNYUYAA-ZDUSSCGKSA-N 0 3 291.347 1.519 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC001249218711 949464236 /nfs/dbraw/zinc/46/42/36/949464236.db2.gz ZSLNAYGACACMEZ-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC001249218711 949464248 /nfs/dbraw/zinc/46/42/48/949464248.db2.gz ZSLNAYGACACMEZ-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN CC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000178863330 342532729 /nfs/dbraw/zinc/53/27/29/342532729.db2.gz ISWNBIYGFSYDNN-NSHDSACASA-N 0 3 263.341 1.215 20 10 CDCDHN CCOc1cccc(C[N@H+](CCO)CCCOC)c1[O-] ZINC000188926405 357953515 /nfs/dbraw/zinc/95/35/15/357953515.db2.gz DWQJCZVGFOQGRX-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN CCOc1cccc(C[N@@H+](CCO)CCCOC)c1[O-] ZINC000188926405 357953517 /nfs/dbraw/zinc/95/35/17/357953517.db2.gz DWQJCZVGFOQGRX-UHFFFAOYSA-N 0 3 283.368 1.622 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)cc1C ZINC000269974740 364407457 /nfs/dbraw/zinc/40/74/57/364407457.db2.gz LTGRBPYJJIEKLB-AWEZNQCLSA-N 0 3 251.326 1.250 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccco2)c1 ZINC000271856024 365002470 /nfs/dbraw/zinc/00/24/70/365002470.db2.gz UUIDTXBRBSTMGG-HNNXBMFYSA-N 0 3 277.320 1.991 20 10 CDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273558562 365508466 /nfs/dbraw/zinc/50/84/66/365508466.db2.gz HNCUWXHGSMCPAL-NEPJUHHUSA-N 0 3 253.342 1.667 20 10 CDCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000281598992 367661634 /nfs/dbraw/zinc/66/16/34/367661634.db2.gz MANQKYPXSJEWQQ-KOLCDFICSA-N 0 3 257.305 1.579 20 10 CDCDHN Cc1cc(O)c(CN[C@H](C)C(=O)NCCF)cc1C ZINC000282535329 367930514 /nfs/dbraw/zinc/93/05/14/367930514.db2.gz BSYBBCWXKJRYKW-LLVKDONJSA-N 0 3 268.332 1.573 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cccc(OC)c1[O-] ZINC000282778433 368034123 /nfs/dbraw/zinc/03/41/23/368034123.db2.gz QDSKGNXYWHKIQN-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cccc(OC)c1[O-] ZINC000282778433 368034128 /nfs/dbraw/zinc/03/41/28/368034128.db2.gz QDSKGNXYWHKIQN-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000284235054 368506272 /nfs/dbraw/zinc/50/62/72/368506272.db2.gz VGJHSWXFUYFUIN-VXGBXAGGSA-N 0 3 283.393 1.868 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1F ZINC000295606785 371367446 /nfs/dbraw/zinc/36/74/46/371367446.db2.gz DIBKEALJMZLIPL-UHFFFAOYSA-N 0 3 265.332 1.389 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2O)cc1F ZINC000295774268 378697082 /nfs/dbraw/zinc/69/70/82/378697082.db2.gz YRMQEPLKHOCYLB-UKRRQHHQSA-N 0 3 282.359 1.521 20 10 CDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1 ZINC000193588538 262224009 /nfs/dbraw/zinc/22/40/09/262224009.db2.gz DRIVEPKQWPJAID-FZMZJTMJSA-N 0 3 261.369 1.367 20 10 CDCDHN COCCN1CCN(Cc2ccccc2O)CC1 ZINC000179554889 391210242 /nfs/dbraw/zinc/21/02/42/391210242.db2.gz PNHQEIXGAPTRNZ-UHFFFAOYSA-N 0 3 250.342 1.156 20 10 CDCDHN CCOc1cccc(CN2CCC[C@H](OCCO)C2)c1O ZINC000179574447 391211495 /nfs/dbraw/zinc/21/14/95/391211495.db2.gz CVQMYEGYPGBUOD-AWEZNQCLSA-N 0 3 295.379 1.764 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000228672747 391287882 /nfs/dbraw/zinc/28/78/82/391287882.db2.gz RCLKVCLLLVXHKF-UHFFFAOYSA-N 0 3 286.759 1.622 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000164758114 391290858 /nfs/dbraw/zinc/29/08/58/391290858.db2.gz IRVGVIAJQGLVQS-MLCYQJTMSA-N 0 3 271.382 1.648 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000195007487 391373916 /nfs/dbraw/zinc/37/39/16/391373916.db2.gz VAZFAXBPTPCLLY-QPUJVOFHSA-N 0 3 252.289 1.146 20 10 CDCDHN CCOc1cccc(C[NH2+]C2CCN(C)CC2)c1[O-] ZINC000037267144 173077971 /nfs/dbraw/zinc/07/79/71/173077971.db2.gz WKZJIJGSRMJFGA-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)cc1OC ZINC000160362815 261211952 /nfs/dbraw/zinc/21/19/52/261211952.db2.gz YCMDDCPVMURFIC-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)cc1OC ZINC000160362815 261211955 /nfs/dbraw/zinc/21/19/55/261211955.db2.gz YCMDDCPVMURFIC-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166457508 261390048 /nfs/dbraw/zinc/39/00/48/261390048.db2.gz UPOAUVRIHDGFCE-LBPRGKRZSA-N 0 3 299.415 1.588 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185393135 262053135 /nfs/dbraw/zinc/05/31/35/262053135.db2.gz SOROEPVDTRXTOK-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187153001 262126908 /nfs/dbraw/zinc/12/69/08/262126908.db2.gz PSZFGKDUEBBWLA-LLVKDONJSA-N 0 3 278.352 1.512 20 10 CDCDHN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187153001 262126910 /nfs/dbraw/zinc/12/69/10/262126910.db2.gz PSZFGKDUEBBWLA-LLVKDONJSA-N 0 3 278.352 1.512 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOC2)c1[O-] ZINC000184745479 262298132 /nfs/dbraw/zinc/29/81/32/262298132.db2.gz HJVSYBRYHMPIBE-CYBMUJFWSA-N 0 3 287.743 1.295 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186202637 262312273 /nfs/dbraw/zinc/31/22/73/262312273.db2.gz XCCADAVDHANGON-QWRGUYRKSA-N 0 3 269.341 1.449 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000368132105 267146646 /nfs/dbraw/zinc/14/66/46/267146646.db2.gz DNVYQNSYRQCYDT-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000368132105 267146647 /nfs/dbraw/zinc/14/66/47/267146647.db2.gz DNVYQNSYRQCYDT-JTQLQIEISA-N 0 3 264.325 1.098 20 10 CDCDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000223946736 333214278 /nfs/dbraw/zinc/21/42/78/333214278.db2.gz TUFVLEZMEODTEK-GXTWGEPZSA-N 0 3 266.385 1.801 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000230663287 333319991 /nfs/dbraw/zinc/31/99/91/333319991.db2.gz SZIVGHUJBGDCRM-WDEREUQCSA-N 0 3 269.341 1.449 20 10 CDCDHN Cc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1 ZINC000134653428 334099326 /nfs/dbraw/zinc/09/93/26/334099326.db2.gz FDIKGTRKRFNNQI-LBPRGKRZSA-N 0 3 262.353 1.801 20 10 CDCDHN CCN(CCNC(=O)NCc1ccccc1O)C1CC1 ZINC000263786555 521063289 /nfs/dbraw/zinc/06/32/89/521063289.db2.gz XMRPUDSMTFHRRE-UHFFFAOYSA-N 0 3 277.368 1.676 20 10 CDCDHN CC[C@H]([NH2+]CC1(CO)COC1)c1ccc(C)cc1[O-] ZINC000280094036 522574465 /nfs/dbraw/zinc/57/44/65/522574465.db2.gz MSCHTBFOZZKBNB-ZDUSSCGKSA-N 0 3 265.353 1.750 20 10 CDCDHN C[C@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000097440201 524206314 /nfs/dbraw/zinc/20/63/14/524206314.db2.gz BGTBZDYOVSOHII-SECBINFHSA-N 0 3 253.298 1.229 20 10 CDCDHN Cc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278766188 524440562 /nfs/dbraw/zinc/44/05/62/524440562.db2.gz UFFPUFLZUHDFQT-CQSZACIVSA-N 0 3 251.326 1.332 20 10 CDCDHN C[C@@H]1CN(CCC[NH2+]Cc2ccccc2[O-])CCCO1 ZINC000277951006 524947917 /nfs/dbraw/zinc/94/79/17/524947917.db2.gz RMFTWJYSVYSYDR-CQSZACIVSA-N 0 3 278.396 1.983 20 10 CDCDHN C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)ccc1[O-] ZINC000289614709 525347689 /nfs/dbraw/zinc/34/76/89/525347689.db2.gz DGFFMQRWXOQUMN-JTQLQIEISA-N 0 3 294.330 1.356 20 10 CDCDHN COc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000131141415 525916788 /nfs/dbraw/zinc/91/67/88/525916788.db2.gz LILNWZSEKXJRPI-XTZNXHDOSA-N 0 3 271.382 1.600 20 10 CDCDHN c1cc(N2CCOCC2)ccc1CN[C@H]1CCOC1 ZINC000088687596 526432533 /nfs/dbraw/zinc/43/25/33/526432533.db2.gz BPYICTRRALLIEA-AWEZNQCLSA-N 0 3 262.353 1.402 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCCO)C[C@H]1CCCO1 ZINC000070976408 527539970 /nfs/dbraw/zinc/53/99/70/527539970.db2.gz AIFMYUGCVWQZJR-CQSZACIVSA-N 0 3 265.353 1.756 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCCO)C[C@H]1CCCO1 ZINC000070976408 527539975 /nfs/dbraw/zinc/53/99/75/527539975.db2.gz AIFMYUGCVWQZJR-CQSZACIVSA-N 0 3 265.353 1.756 20 10 CDCDHN CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731871252 575067290 /nfs/dbraw/zinc/06/72/90/575067290.db2.gz HYNHZXKTSRCCFF-SNVBAGLBSA-N 0 3 268.382 1.914 20 10 CDCDHN CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731871252 575067291 /nfs/dbraw/zinc/06/72/91/575067291.db2.gz HYNHZXKTSRCCFF-SNVBAGLBSA-N 0 3 268.382 1.914 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1C ZINC000769516775 575354907 /nfs/dbraw/zinc/35/49/07/575354907.db2.gz RABLBKFBIYZFPP-GHMZBOCLSA-N 0 3 279.336 1.642 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1C ZINC000769516775 575354909 /nfs/dbraw/zinc/35/49/09/575354909.db2.gz RABLBKFBIYZFPP-GHMZBOCLSA-N 0 3 279.336 1.642 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000765798041 576056615 /nfs/dbraw/zinc/05/66/15/576056615.db2.gz UKVWZQSVAHZLRZ-OLZOCXBDSA-N 0 3 262.353 1.705 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000765795587 576056885 /nfs/dbraw/zinc/05/68/85/576056885.db2.gz KDDNUAQWJJCMHJ-QWRGUYRKSA-N 0 3 292.335 1.125 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCSC2)c([O-])c1 ZINC000747621906 576877467 /nfs/dbraw/zinc/87/74/67/576877467.db2.gz GAZIXYJNMDNAJP-CQSZACIVSA-N 0 3 283.393 1.749 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(F)ccc1[O-] ZINC000756511985 576993020 /nfs/dbraw/zinc/99/30/20/576993020.db2.gz UKFBWYLWHJMVCY-GWCFXTLKSA-N 0 3 283.343 1.969 20 10 CDCDHN CO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254955 617391720 /nfs/dbraw/zinc/39/17/20/617391720.db2.gz KUMTWZRNRZJUSZ-IUODEOHRSA-N 0 3 293.411 1.506 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(F)F)N(C)C)cc1 ZINC000891258417 617392071 /nfs/dbraw/zinc/39/20/71/617392071.db2.gz SFULVGWNXAQVRC-GFCCVEGCSA-N 0 3 285.338 1.737 20 10 CDCDHN CCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894276143 618407760 /nfs/dbraw/zinc/40/77/60/618407760.db2.gz OXSSMCZQSSQIAH-CQSZACIVSA-N 0 3 294.399 1.606 20 10 CDCDHN CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724283 622386440 /nfs/dbraw/zinc/38/64/40/622386440.db2.gz LXAFACTXANPEOQ-CYBMUJFWSA-N 0 3 280.441 1.449 20 10 CDCDHN C[C@H](C(=O)NCc1ccc(O)cc1O)N1CCCCCC1 ZINC000910953394 629115945 /nfs/dbraw/zinc/11/59/45/629115945.db2.gz AIRASMSHCLDIBT-GFCCVEGCSA-N 0 3 292.379 1.979 20 10 CDCDHN C[NH+]1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000154400840 632218581 /nfs/dbraw/zinc/21/85/81/632218581.db2.gz QZESVSCMZPTJQO-UHFFFAOYSA-N 0 3 285.185 1.902 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000876932526 1165942218 /nfs/dbraw/zinc/94/22/18/1165942218.db2.gz OJHPUUWEARFGDD-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876798690 739329899 /nfs/dbraw/zinc/32/98/99/739329899.db2.gz LLBBFIHRRNYQOM-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876798690 739329904 /nfs/dbraw/zinc/32/99/04/739329904.db2.gz LLBBFIHRRNYQOM-NSHDSACASA-N 0 3 250.342 1.515 20 10 CDCDHN CCNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835568 739622865 /nfs/dbraw/zinc/62/28/65/739622865.db2.gz VAIKWIFHHFQDNJ-LLVKDONJSA-N 0 3 292.383 1.249 20 10 CDCDHN C[NH2+]CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817939276 740263073 /nfs/dbraw/zinc/26/30/73/740263073.db2.gz BVUMMJCUDWNTFD-SECBINFHSA-N 0 3 253.302 1.561 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN(C)CC(F)F ZINC000877661895 740397860 /nfs/dbraw/zinc/39/78/60/740397860.db2.gz JNRGZQAEYVWRQV-UHFFFAOYSA-N 0 3 258.312 1.987 20 10 CDCDHN CC[C@H]([NH2+]C[C@](C)(O)COC)c1ccccc1[O-] ZINC000382563265 740451344 /nfs/dbraw/zinc/45/13/44/740451344.db2.gz MQXHDOJWDCUFOA-JSGCOSHPSA-N 0 3 253.342 1.830 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccccc1[O-] ZINC000879648054 740806373 /nfs/dbraw/zinc/80/63/73/740806373.db2.gz XFYZKNXDLVMOGV-VXGBXAGGSA-N 0 3 278.352 1.338 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@H](N2CCOC2=O)C1 ZINC000826994572 741013944 /nfs/dbraw/zinc/01/39/44/741013944.db2.gz KWHUXCXVIJIRND-NSHDSACASA-N 0 3 292.335 1.427 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000826994572 741013949 /nfs/dbraw/zinc/01/39/49/741013949.db2.gz KWHUXCXVIJIRND-NSHDSACASA-N 0 3 292.335 1.427 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000826994572 741013953 /nfs/dbraw/zinc/01/39/53/741013953.db2.gz KWHUXCXVIJIRND-NSHDSACASA-N 0 3 292.335 1.427 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC2CC2)c1 ZINC000135727270 741126259 /nfs/dbraw/zinc/12/62/59/741126259.db2.gz LLBYJTYLUMPRMZ-NXEZZACHSA-N 0 3 278.352 1.719 20 10 CDCDHN CCCC[N@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000790708034 741160961 /nfs/dbraw/zinc/16/09/61/741160961.db2.gz UHFULSMOGLKVBY-UHFFFAOYSA-N 0 3 266.341 1.560 20 10 CDCDHN CCCC[N@@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000790708034 741160962 /nfs/dbraw/zinc/16/09/62/741160962.db2.gz UHFULSMOGLKVBY-UHFFFAOYSA-N 0 3 266.341 1.560 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000856812549 741469268 /nfs/dbraw/zinc/46/92/68/741469268.db2.gz ZYHDHYYLYVBHQV-LLVKDONJSA-N 0 3 264.325 1.111 20 10 CDCDHN CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000776520988 741945120 /nfs/dbraw/zinc/94/51/20/741945120.db2.gz RZNNLYKFFXEGCA-OAHLLOKOSA-N 0 3 281.352 1.575 20 10 CDCDHN COc1ccc(C[NH2+]CCCc2cnn(C)c2)c([O-])c1 ZINC000237134409 742238999 /nfs/dbraw/zinc/23/89/99/742238999.db2.gz FABBYHKQUCENAJ-UHFFFAOYSA-N 0 3 275.352 1.857 20 10 CDCDHN COC1CCN(CC[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877157301 742279229 /nfs/dbraw/zinc/27/92/29/742279229.db2.gz CRHURFIPHSWHHH-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](NC(N)=O)C1 ZINC000840921490 742444771 /nfs/dbraw/zinc/44/47/71/742444771.db2.gz TYUKZIJDFNYRGR-ZDUSSCGKSA-N 0 3 276.384 1.304 20 10 CDCDHN COCCN1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877046386 739349775 /nfs/dbraw/zinc/34/97/75/739349775.db2.gz MVNDQITYCDFELZ-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180288196 739569962 /nfs/dbraw/zinc/56/99/62/739569962.db2.gz GKJAEWCJNCJWTO-GFCCVEGCSA-N 0 3 280.343 1.832 20 10 CDCDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180288196 739569963 /nfs/dbraw/zinc/56/99/63/739569963.db2.gz GKJAEWCJNCJWTO-GFCCVEGCSA-N 0 3 280.343 1.832 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834803183 740373884 /nfs/dbraw/zinc/37/38/84/740373884.db2.gz MDQSFMOXLTVXGT-NEPJUHHUSA-N 0 3 294.420 1.837 20 10 CDCDHN COc1ccc(O)c(CNC(C)(C)CS(C)(=O)=O)c1 ZINC000391577139 740917595 /nfs/dbraw/zinc/91/75/95/740917595.db2.gz FKBZNSKBXHNGBN-UHFFFAOYSA-N 0 3 287.381 1.314 20 10 CDCDHN COCC[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000775032771 741660909 /nfs/dbraw/zinc/66/09/09/741660909.db2.gz KDGVFVLAXUCOLN-AWEZNQCLSA-N 0 3 251.326 1.677 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000827500641 742022446 /nfs/dbraw/zinc/02/24/46/742022446.db2.gz GGCSMRUWLPKHKQ-TXEJJXNPSA-N 0 3 279.336 1.832 20 10 CDCDHN CCN1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000922639836 742039936 /nfs/dbraw/zinc/03/99/36/742039936.db2.gz PRGSBINBRAFUBQ-LLVKDONJSA-N 0 3 292.335 1.221 20 10 CDCDHN CCN1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000391649073 742138960 /nfs/dbraw/zinc/13/89/60/742138960.db2.gz WBUREIQPBQNTPX-NSHDSACASA-N 0 3 298.770 1.765 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000228671586 742171448 /nfs/dbraw/zinc/17/14/48/742171448.db2.gz UMWGRNFBFOYFNA-LLVKDONJSA-N 0 3 287.743 1.559 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CC)C(=O)NC)c([O-])c1 ZINC000825316545 742388114 /nfs/dbraw/zinc/38/81/14/742388114.db2.gz PPQHZWVSZZJSPF-LBPRGKRZSA-N 0 3 266.341 1.405 20 10 CDCDHN C[C@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000220331092 742783507 /nfs/dbraw/zinc/78/35/07/742783507.db2.gz JPVANDYIRPXECW-TVQRCGJNSA-N 0 3 254.305 1.079 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140360 899778683 /nfs/dbraw/zinc/77/86/83/899778683.db2.gz KWCIKIMZHNEAIZ-ZDUSSCGKSA-N 0 3 290.363 1.510 20 10 CDCDHN Cc1cc(CN2CC[C@H](F)[C@@H](O)C2)ccc1N(C)C ZINC001139669573 936319824 /nfs/dbraw/zinc/31/98/24/936319824.db2.gz BEDUQKCRELTIOH-ZFWWWQNUSA-N 0 3 266.360 1.966 20 10 CDCDHN Cc1c(CN2CCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001138252736 936501431 /nfs/dbraw/zinc/50/14/31/936501431.db2.gz SFHAJHMHDXFFIQ-HNNXBMFYSA-N 0 3 271.364 1.936 20 10 CDCDHN Oc1ccccc1CN1CCN2CC(F)(F)C[C@H]2C1 ZINC001203558314 919484472 /nfs/dbraw/zinc/48/44/72/919484472.db2.gz DARHMKZAPYMBBP-LBPRGKRZSA-N 0 3 268.307 1.917 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)CC2 ZINC000834851270 936709001 /nfs/dbraw/zinc/70/90/01/936709001.db2.gz WBTGTMCZIWTVGK-GJZGRUSLSA-N 0 3 290.407 1.816 20 10 CDCDHN CC[N@H+](CCN1CCOCC1)Cc1ccc(C)cc1[O-] ZINC001140950667 936783446 /nfs/dbraw/zinc/78/34/46/936783446.db2.gz BFQRZTCFEOCIJW-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN CC[N@@H+](CCN1CCOCC1)Cc1ccc(C)cc1[O-] ZINC001140950667 936783448 /nfs/dbraw/zinc/78/34/48/936783448.db2.gz BFQRZTCFEOCIJW-UHFFFAOYSA-N 0 3 278.396 1.855 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140358 936818656 /nfs/dbraw/zinc/81/86/56/936818656.db2.gz KWCIKIMZHNEAIZ-CYBMUJFWSA-N 0 3 290.363 1.510 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000840959033 936969744 /nfs/dbraw/zinc/96/97/44/936969744.db2.gz XESKGOCLTFCUQO-LLVKDONJSA-N 0 3 278.352 1.311 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000840959033 936969747 /nfs/dbraw/zinc/96/97/47/936969747.db2.gz XESKGOCLTFCUQO-LLVKDONJSA-N 0 3 278.352 1.311 20 10 CDCDHN CCc1cccc(CNCCS(=O)(=O)CC)c1O ZINC000691499734 929064238 /nfs/dbraw/zinc/06/42/38/929064238.db2.gz ICJLXBLTXSCJOM-UHFFFAOYSA-N 0 3 271.382 1.479 20 10 CDCDHN COc1ccc(CNC[C@H](O)C(=O)OC(C)(C)C)cc1C ZINC001253706267 935855336 /nfs/dbraw/zinc/85/53/36/935855336.db2.gz LUXSXKCPBLHABO-ZDUSSCGKSA-N 0 3 295.379 1.796 20 10 CDCDHN Oc1ccc(CNc2cc3c(nn2)CCNC3)cc1O ZINC001158997845 938686542 /nfs/dbraw/zinc/68/65/42/938686542.db2.gz QIOHWEYYCHCDDP-UHFFFAOYSA-N 0 3 272.308 1.146 20 10 CDCDHN O=C1NCC2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203560848 939693075 /nfs/dbraw/zinc/69/30/75/939693075.db2.gz HUWXEUSZKILPJT-UHFFFAOYSA-N 0 3 261.325 1.040 20 10 CDCDHN O=C1CC2(CC[NH+](Cc3ccccc3[O-])CC2)CC(=O)N1 ZINC001203558296 939693121 /nfs/dbraw/zinc/69/31/21/939693121.db2.gz CECSNAPBIJVHBF-UHFFFAOYSA-N 0 3 288.347 1.411 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001203562213 939693388 /nfs/dbraw/zinc/69/33/88/939693388.db2.gz FHKTYFSEVCLKMI-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001203562213 939693390 /nfs/dbraw/zinc/69/33/90/939693390.db2.gz FHKTYFSEVCLKMI-ZDUSSCGKSA-N 0 3 289.310 1.975 20 10 CDCDHN CCOc1cccc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001203604043 939696045 /nfs/dbraw/zinc/69/60/45/939696045.db2.gz ZZXGEHXYSHAIKE-GDBMZVCRSA-N 0 3 295.379 1.356 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001204275860 939749985 /nfs/dbraw/zinc/74/99/85/939749985.db2.gz CXUPCGQUCMXTKO-NSHDSACASA-N 0 3 251.326 1.692 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001204275860 939749988 /nfs/dbraw/zinc/74/99/88/939749988.db2.gz CXUPCGQUCMXTKO-NSHDSACASA-N 0 3 251.326 1.692 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001231586155 942937004 /nfs/dbraw/zinc/93/70/04/942937004.db2.gz CGOZMEVPLZVLCD-LRDDRELGSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001231586155 942937005 /nfs/dbraw/zinc/93/70/05/942937005.db2.gz CGOZMEVPLZVLCD-LRDDRELGSA-N 0 3 273.332 1.330 20 10 CDCDHN CC(=O)N1CCC2(CN(Cc3cccc(C)c3O)C2)C1 ZINC001231594099 942938632 /nfs/dbraw/zinc/93/86/32/942938632.db2.gz YWCRZYYCWBFGKD-UHFFFAOYSA-N 0 3 274.364 1.755 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c([O-])c1 ZINC001277568611 943019743 /nfs/dbraw/zinc/01/97/43/943019743.db2.gz SYBMSIRCYNVOQA-CRAIPNDOSA-N 0 3 298.386 1.921 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c([O-])c1 ZINC001277568611 943019746 /nfs/dbraw/zinc/01/97/46/943019746.db2.gz SYBMSIRCYNVOQA-CRAIPNDOSA-N 0 3 298.386 1.921 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H]3CCCO[C@H]3C2)cc1O ZINC001233482770 943591422 /nfs/dbraw/zinc/59/14/22/943591422.db2.gz BLLBUZSCGYUSJZ-BONVTDFDSA-N 0 3 279.336 1.804 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235676982 944243304 /nfs/dbraw/zinc/24/33/04/944243304.db2.gz ZKOJXDLIKXJBTR-XJKSGUPXSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235676982 944243309 /nfs/dbraw/zinc/24/33/09/944243309.db2.gz ZKOJXDLIKXJBTR-XJKSGUPXSA-N 0 3 293.407 1.865 20 10 CDCDHN O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322213 944468897 /nfs/dbraw/zinc/46/88/97/944468897.db2.gz SZIJECFXNOMUEY-BETUJISGSA-N 0 3 290.363 1.522 20 10 CDCDHN O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322213 944468900 /nfs/dbraw/zinc/46/89/00/944468900.db2.gz SZIJECFXNOMUEY-BETUJISGSA-N 0 3 290.363 1.522 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783185 944565475 /nfs/dbraw/zinc/56/54/75/944565475.db2.gz IUHUZUATPSAARO-KBPBESRZSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783185 944565481 /nfs/dbraw/zinc/56/54/81/944565481.db2.gz IUHUZUATPSAARO-KBPBESRZSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+](C)CCN2CCOCC2)c([O-])c1 ZINC001236784378 944566604 /nfs/dbraw/zinc/56/66/04/944566604.db2.gz VOCGYBGKHPJNAL-UHFFFAOYSA-N 0 3 278.396 1.719 20 10 CDCDHN CCc1ccc(C[N@@H+](C)CCN2CCOCC2)c([O-])c1 ZINC001236784378 944566609 /nfs/dbraw/zinc/56/66/09/944566609.db2.gz VOCGYBGKHPJNAL-UHFFFAOYSA-N 0 3 278.396 1.719 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001237488222 944815222 /nfs/dbraw/zinc/81/52/22/944815222.db2.gz KHIMVOREASHEND-ZIAGYGMSSA-N 0 3 274.364 1.896 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001237488222 944815224 /nfs/dbraw/zinc/81/52/24/944815224.db2.gz KHIMVOREASHEND-ZIAGYGMSSA-N 0 3 274.364 1.896 20 10 CDCDHN O=S1(=O)CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001254321522 947359187 /nfs/dbraw/zinc/35/91/87/947359187.db2.gz IUYBXZIMLBBXAW-AWEZNQCLSA-N 0 3 291.372 1.822 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000092764665 342234683 /nfs/dbraw/zinc/23/46/83/342234683.db2.gz QXUOXLWZAQPPJY-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000092764665 342234684 /nfs/dbraw/zinc/23/46/84/342234684.db2.gz QXUOXLWZAQPPJY-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN C[C@H](CCCCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295125197 199357744 /nfs/dbraw/zinc/35/77/44/199357744.db2.gz XEDRHIGHBQKXAJ-SNVBAGLBSA-N 0 3 267.325 1.762 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295147075 199371584 /nfs/dbraw/zinc/37/15/84/199371584.db2.gz QSNXFVMDRTZKMK-AWEZNQCLSA-N 0 3 264.369 1.329 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@](C)(O)C2)cc1OC ZINC000180377324 357265965 /nfs/dbraw/zinc/26/59/65/357265965.db2.gz SGTAFGLHBGYORT-HNNXBMFYSA-N 0 3 281.352 1.756 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000187669688 357793112 /nfs/dbraw/zinc/79/31/12/357793112.db2.gz QZXVYEMVEGGIMH-STQMWFEESA-N 0 3 281.352 1.109 20 10 CDCDHN CCCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000187669688 357793114 /nfs/dbraw/zinc/79/31/14/357793114.db2.gz QZXVYEMVEGGIMH-STQMWFEESA-N 0 3 281.352 1.109 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191178594 358118094 /nfs/dbraw/zinc/11/80/94/358118094.db2.gz KLYNGLIYOHDSOK-ZYHUDNBSSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191178594 358118096 /nfs/dbraw/zinc/11/80/96/358118096.db2.gz KLYNGLIYOHDSOK-ZYHUDNBSSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000191186383 358118448 /nfs/dbraw/zinc/11/84/48/358118448.db2.gz ZRNBYJHVHXFXIO-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000191186383 358118451 /nfs/dbraw/zinc/11/84/51/358118451.db2.gz ZRNBYJHVHXFXIO-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN Cc1cc(O)c(CN(CC(N)=O)CC(C)C)cc1C ZINC000092011389 358535244 /nfs/dbraw/zinc/53/52/44/358535244.db2.gz YSWMYHKZZFFDNP-UHFFFAOYSA-N 0 3 264.369 1.952 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CNCCO1 ZINC000269237960 364165558 /nfs/dbraw/zinc/16/55/58/364165558.db2.gz WCXAYEMGIMCWNV-AWEZNQCLSA-N 0 3 292.379 1.509 20 10 CDCDHN COc1ccc(N2CCC(NCC(=O)N(C)C)CC2)cc1 ZINC000375046852 370782937 /nfs/dbraw/zinc/78/29/37/370782937.db2.gz ATHSILOYFRAAOT-UHFFFAOYSA-N 0 3 291.395 1.342 20 10 CDCDHN CN1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000271152446 364946361 /nfs/dbraw/zinc/94/63/61/364946361.db2.gz ISVDTSWXBZIWDG-UHFFFAOYSA-N 0 3 278.352 1.098 20 10 CDCDHN C[C@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181291369 365025584 /nfs/dbraw/zinc/02/55/84/365025584.db2.gz ZVYYILCCPSTUNO-LBPRGKRZSA-N 0 3 275.396 1.929 20 10 CDCDHN COc1ccc(O)c(CN2CCOC[C@H](C)C2)c1 ZINC000378441539 365098650 /nfs/dbraw/zinc/09/86/50/365098650.db2.gz HNTMHZMSROUPKV-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000378441539 365098651 /nfs/dbraw/zinc/09/86/51/365098651.db2.gz HNTMHZMSROUPKV-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000378441539 365098652 /nfs/dbraw/zinc/09/86/52/365098652.db2.gz HNTMHZMSROUPKV-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(F)ccc1[O-] ZINC000273405886 365492283 /nfs/dbraw/zinc/49/22/83/365492283.db2.gz OJWPFFJYTBWPHU-AAEUAGOBSA-N 0 3 282.359 1.639 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000282325745 367832784 /nfs/dbraw/zinc/83/27/84/367832784.db2.gz LHKBBMCIQJTIJJ-FZMZJTMJSA-N 0 3 292.379 1.938 20 10 CDCDHN Cc1cccc(CN[C@@H](C)C(=O)NCCF)c1O ZINC000282820398 368053532 /nfs/dbraw/zinc/05/35/32/368053532.db2.gz UDWNUFHBVVONKE-JTQLQIEISA-N 0 3 254.305 1.264 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000284438843 368520536 /nfs/dbraw/zinc/52/05/36/368520536.db2.gz SOVZHKZEOPJMBT-UONOGXRCSA-N 0 3 278.396 1.588 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285451333 368628717 /nfs/dbraw/zinc/62/87/17/368628717.db2.gz JAXDMNQGZKGUDE-UHFFFAOYSA-N 0 3 295.379 1.812 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000288570454 369468432 /nfs/dbraw/zinc/46/84/32/369468432.db2.gz MYDKWFCEEPWVCU-BBRMVZONSA-N 0 3 271.316 1.976 20 10 CDCDHN C[C@H](NCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000268867174 370986591 /nfs/dbraw/zinc/98/65/91/370986591.db2.gz WUTMKMOTWRRFFX-LBPRGKRZSA-N 0 3 259.357 1.695 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1[O-] ZINC000295892304 371400810 /nfs/dbraw/zinc/40/08/10/371400810.db2.gz HVOAKQNEIYASPK-GFCCVEGCSA-N 0 3 264.369 1.500 20 10 CDCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186202550 378846667 /nfs/dbraw/zinc/84/66/67/378846667.db2.gz HJENLGGFOLCSLP-NWDGAFQWSA-N 0 3 253.342 1.749 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185468032 262305166 /nfs/dbraw/zinc/30/51/66/262305166.db2.gz PSTPIJNVSOWHDJ-IINYFYTJSA-N 0 3 271.332 1.969 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCN(C)CC2)c1 ZINC000035628824 390182868 /nfs/dbraw/zinc/18/28/68/390182868.db2.gz AVNHYHJETDHXTC-HNNXBMFYSA-N 0 3 291.439 1.989 20 10 CDCDHN Cc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000281854415 390972204 /nfs/dbraw/zinc/97/22/04/390972204.db2.gz UVLKTZFVMMHALF-QGZVFWFLSA-N 0 3 253.367 1.701 20 10 CDCDHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000376412178 391229454 /nfs/dbraw/zinc/22/94/54/391229454.db2.gz HDLJYKARIUZIBJ-DGCLKSJQSA-N 0 3 290.363 1.797 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284280204 391481638 /nfs/dbraw/zinc/48/16/38/391481638.db2.gz HKNBGAHIQMJJRL-VXGBXAGGSA-N 0 3 282.359 1.418 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1NCC1(C)C ZINC000649347601 392083010 /nfs/dbraw/zinc/08/30/10/392083010.db2.gz HOIPBTAWZRIZOF-CQSZACIVSA-N 0 3 289.379 1.476 20 10 CDCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037268344 285569824 /nfs/dbraw/zinc/56/98/24/285569824.db2.gz DGTIZGYZUPXSAC-VXGBXAGGSA-N 0 3 263.385 1.928 20 10 CDCDHN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1[O-] ZINC000038047288 174057325 /nfs/dbraw/zinc/05/73/25/174057325.db2.gz OSPJAYBJUMPLOZ-SNVBAGLBSA-N 0 3 257.355 1.478 20 10 CDCDHN C[C@@H]([NH2+]CC1(CO)COC1)c1cc2c(cc1[O-])CCCC2 ZINC000186146351 262082086 /nfs/dbraw/zinc/08/20/86/262082086.db2.gz JMTYOEBCHXUYOC-GFCCVEGCSA-N 0 3 291.391 1.931 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC[C@@H](O)C(F)(F)F)c1 ZINC000119995124 262179746 /nfs/dbraw/zinc/17/97/46/262179746.db2.gz XEXQSQXCMUTAMP-RDDDGLTNSA-N 0 3 279.258 1.975 20 10 CDCDHN Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)c([O-])c1O ZINC000272837623 263009222 /nfs/dbraw/zinc/00/92/22/263009222.db2.gz QUFJCGVDDRCRKC-UHFFFAOYSA-N 0 3 280.368 1.866 20 10 CDCDHN Cc1ccc(C(=O)NCCC[N@H+](C)C(C)C)c([O-])c1O ZINC000272837623 263009223 /nfs/dbraw/zinc/00/92/23/263009223.db2.gz QUFJCGVDDRCRKC-UHFFFAOYSA-N 0 3 280.368 1.866 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000129639233 264329717 /nfs/dbraw/zinc/32/97/17/264329717.db2.gz HCCBTFYDJBENHY-OLZOCXBDSA-N 0 3 251.326 1.650 20 10 CDCDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000278748265 279055306 /nfs/dbraw/zinc/05/53/06/279055306.db2.gz WBSNWOJQPHYRLP-NHYWBVRUSA-N 0 3 282.359 1.521 20 10 CDCDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000278748258 280069934 /nfs/dbraw/zinc/06/99/34/280069934.db2.gz WBSNWOJQPHYRLP-ABAIWWIYSA-N 0 3 282.359 1.521 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287330655 328250929 /nfs/dbraw/zinc/25/09/29/328250929.db2.gz FYEMHEWSKGUNKR-GFCCVEGCSA-N 0 3 295.379 1.983 20 10 CDCDHN COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228674762 329344337 /nfs/dbraw/zinc/34/43/37/329344337.db2.gz OZJGQYUMOKFTIP-SNVBAGLBSA-N 0 3 275.732 1.151 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000228099211 333294871 /nfs/dbraw/zinc/29/48/71/333294871.db2.gz HNCWPOLWXAGNAB-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000228099211 333294872 /nfs/dbraw/zinc/29/48/72/333294872.db2.gz HNCWPOLWXAGNAB-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000134130027 334081716 /nfs/dbraw/zinc/08/17/16/334081716.db2.gz XYIAOHSLYIJPAT-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000134130027 334081717 /nfs/dbraw/zinc/08/17/17/334081717.db2.gz XYIAOHSLYIJPAT-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCCC[C@H]1O)OCO2 ZINC000135623298 334134781 /nfs/dbraw/zinc/13/47/81/334134781.db2.gz PTJLQWOFUGVPOO-VXGBXAGGSA-N 0 3 279.336 1.904 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)NCC(F)(F)F ZINC000134229360 1160195456 /nfs/dbraw/zinc/19/54/56/1160195456.db2.gz SVDRXTKXXOYEHU-QMMMGPOBSA-N 0 3 276.258 1.549 20 10 CDCDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000082284175 522092095 /nfs/dbraw/zinc/09/20/95/522092095.db2.gz KBQNYRUEYROBBI-AWEZNQCLSA-N 0 3 261.369 1.364 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000279347689 522360125 /nfs/dbraw/zinc/36/01/25/522360125.db2.gz FXOYMJGXNCWNFZ-TZMCWYRMSA-N 0 3 269.316 1.815 20 10 CDCDHN CC[C@@H](CCO)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000094949344 522508177 /nfs/dbraw/zinc/50/81/77/522508177.db2.gz YHOQPMUPQYNYFR-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000290291268 524009665 /nfs/dbraw/zinc/00/96/65/524009665.db2.gz YAGWUWOGRSEZBI-CQDKDKBSSA-N 0 3 264.369 1.817 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280987085 524431712 /nfs/dbraw/zinc/43/17/12/524431712.db2.gz WQVIZSBCUOCAJM-ZIAGYGMSSA-N 0 3 265.353 1.435 20 10 CDCDHN CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000279748970 525099930 /nfs/dbraw/zinc/09/99/30/525099930.db2.gz YJXVARSGRDLMIN-UHFFFAOYSA-N 0 3 255.339 1.059 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800935 525361515 /nfs/dbraw/zinc/36/15/15/525361515.db2.gz ROCNVGCTTHTGLE-KGLIPLIRSA-N 0 3 277.412 1.597 20 10 CDCDHN Cn1cc(C(C)(C)NCc2cc3c(cc2O)OCO3)cn1 ZINC000742374462 574420589 /nfs/dbraw/zinc/42/05/89/574420589.db2.gz YQHKJSOHGRGQJW-UHFFFAOYSA-N 0 3 289.335 1.879 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)CN2CCOCC2)c([O-])c1 ZINC000725846026 574443878 /nfs/dbraw/zinc/44/38/78/574443878.db2.gz QLQSGRDOYKYHCR-CYBMUJFWSA-N 0 3 294.395 1.601 20 10 CDCDHN CC[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731866007 575066661 /nfs/dbraw/zinc/06/66/61/575066661.db2.gz DGRVIDUJBXOQMM-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CCN1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731866007 575066662 /nfs/dbraw/zinc/06/66/62/575066662.db2.gz DGRVIDUJBXOQMM-UHFFFAOYSA-N 0 3 254.355 1.668 20 10 CDCDHN CN1CCN(CCCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000731869626 575066876 /nfs/dbraw/zinc/06/68/76/575066876.db2.gz ULEQHLTXYARYKA-UHFFFAOYSA-N 0 3 297.424 1.211 20 10 CDCDHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000732273084 575085499 /nfs/dbraw/zinc/08/54/99/575085499.db2.gz VSZVHHUMSUNDAV-NXEZZACHSA-N 0 3 266.366 1.810 20 10 CDCDHN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000732273084 575085500 /nfs/dbraw/zinc/08/55/00/575085500.db2.gz VSZVHHUMSUNDAV-NXEZZACHSA-N 0 3 266.366 1.810 20 10 CDCDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000733809489 575139136 /nfs/dbraw/zinc/13/91/36/575139136.db2.gz RDHCKTXNIKTDRQ-UHFFFAOYSA-N 0 3 284.381 1.294 20 10 CDCDHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482012 575207889 /nfs/dbraw/zinc/20/78/89/575207889.db2.gz DJSPVQNEWMPDKU-GHMZBOCLSA-N 0 3 292.383 1.247 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCc2cnccn2)c1 ZINC000774830855 575244992 /nfs/dbraw/zinc/24/49/92/575244992.db2.gz FIWFFFGPLVAOGQ-UHFFFAOYSA-N 0 3 273.336 1.913 20 10 CDCDHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc([O-])cs1 ZINC000765253372 576002176 /nfs/dbraw/zinc/00/21/76/576002176.db2.gz RFDOHBQNHZZWTC-LLVKDONJSA-N 0 3 298.408 1.420 20 10 CDCDHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc([O-])cs1 ZINC000765253372 576002179 /nfs/dbraw/zinc/00/21/79/576002179.db2.gz RFDOHBQNHZZWTC-LLVKDONJSA-N 0 3 298.408 1.420 20 10 CDCDHN C[C@H]1CSCCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444700 576283601 /nfs/dbraw/zinc/28/36/01/576283601.db2.gz BHJZTESRXPMGTH-TVQRCGJNSA-N 0 3 281.377 1.755 20 10 CDCDHN CC1(C)[C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]21 ZINC000768466518 576287852 /nfs/dbraw/zinc/28/78/52/576287852.db2.gz RDTDHPJYHZSPCV-SCRDCRAPSA-N 0 3 275.348 1.906 20 10 CDCDHN CC1(C)[C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]21 ZINC000768466518 576287855 /nfs/dbraw/zinc/28/78/55/576287855.db2.gz RDTDHPJYHZSPCV-SCRDCRAPSA-N 0 3 275.348 1.906 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000745789839 576742665 /nfs/dbraw/zinc/74/26/65/576742665.db2.gz QOLUOUHVCGKPDW-WCQYABFASA-N 0 3 277.368 1.674 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@]2(CO)CCOC2)c([O-])c1 ZINC000757978686 577065013 /nfs/dbraw/zinc/06/50/13/577065013.db2.gz PKZDURYJPJZDHE-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN Fc1cc(CNCCN2CCC2)ccc1N1CCOCC1 ZINC000752100034 577088991 /nfs/dbraw/zinc/08/89/91/577088991.db2.gz FNWGILPTMUQEEI-UHFFFAOYSA-N 0 3 293.386 1.458 20 10 CDCDHN CC(=O)OC[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000892737945 617683080 /nfs/dbraw/zinc/68/30/80/617683080.db2.gz PLVWJKJROUMGBH-JTQLQIEISA-N 0 3 268.332 1.933 20 10 CDCDHN CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891947879 617815401 /nfs/dbraw/zinc/81/54/01/617815401.db2.gz MEFVPYDQRUCYRV-AWEZNQCLSA-N 0 3 278.400 1.674 20 10 CDCDHN COc1cccc(O)c1CNC[C@@H]1CC(C)=NO1 ZINC000895310472 619540613 /nfs/dbraw/zinc/54/06/13/619540613.db2.gz HVPXHEOZQPMXQW-JTQLQIEISA-N 0 3 250.298 1.655 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)CCC(=O)NC)c([O-])c1 ZINC000897709602 621083199 /nfs/dbraw/zinc/08/31/99/621083199.db2.gz GKCSGMIVXZTTMA-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)CCC(=O)NC)c([O-])c1 ZINC000897709602 621083202 /nfs/dbraw/zinc/08/32/02/621083202.db2.gz GKCSGMIVXZTTMA-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H]1[NH3+] ZINC000706852096 1158765061 /nfs/dbraw/zinc/76/50/61/1158765061.db2.gz OKMAHPBPBGSKON-LDYMZIIASA-N 0 3 285.185 1.934 20 10 CDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)cc1 ZINC000088658059 1158735298 /nfs/dbraw/zinc/73/52/98/1158735298.db2.gz FSJRYMPUDYVUCR-OAHLLOKOSA-N 0 3 291.395 1.090 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000877045620 1165965450 /nfs/dbraw/zinc/96/54/50/1165965450.db2.gz YHUBZJFLZCKWRR-CYBMUJFWSA-N 0 3 265.353 1.986 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000134143147 1175812852 /nfs/dbraw/zinc/81/28/52/1175812852.db2.gz PFPAZQWDXLORMQ-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000134143147 1175812855 /nfs/dbraw/zinc/81/28/55/1175812855.db2.gz PFPAZQWDXLORMQ-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1ccc(CN2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000153939682 1178138174 /nfs/dbraw/zinc/13/81/74/1178138174.db2.gz PTDJPJVHHLCQNK-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000153939682 1178138178 /nfs/dbraw/zinc/13/81/78/1178138178.db2.gz PTDJPJVHHLCQNK-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000153939682 1178138188 /nfs/dbraw/zinc/13/81/88/1178138188.db2.gz PTDJPJVHHLCQNK-CYBMUJFWSA-N 0 3 278.352 1.501 20 10 CDCDHN CC[C@@H](C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000839787626 742867425 /nfs/dbraw/zinc/86/74/25/742867425.db2.gz QBZIDXMFMJKCKS-SNVBAGLBSA-N 0 3 296.342 1.793 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000876619313 742879919 /nfs/dbraw/zinc/87/99/19/742879919.db2.gz UCTSIZOVOLVRBB-CQSZACIVSA-N 0 3 276.380 1.607 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000876619313 742879920 /nfs/dbraw/zinc/87/99/20/742879920.db2.gz UCTSIZOVOLVRBB-CQSZACIVSA-N 0 3 276.380 1.607 20 10 CDCDHN CCN1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000722357190 742962539 /nfs/dbraw/zinc/96/25/39/742962539.db2.gz VSHYIZFWTLGMGA-CQSZACIVSA-N 0 3 274.364 1.722 20 10 CDCDHN CCCN(CC(=O)NC)Cc1c(C)cccc1O ZINC000876631610 743208976 /nfs/dbraw/zinc/20/89/76/743208976.db2.gz KWJFAHQNJCJZDX-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN O=C1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000846205489 743385497 /nfs/dbraw/zinc/38/54/97/743385497.db2.gz HPIDBMVZIILMPG-FZMZJTMJSA-N 0 3 286.375 1.980 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1cccc(OCC)c1O ZINC000036795070 743503736 /nfs/dbraw/zinc/50/37/36/743503736.db2.gz WYUNUHDSUWAGKY-SNVBAGLBSA-N 0 3 266.341 1.405 20 10 CDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C)nn1 ZINC000840976144 745342429 /nfs/dbraw/zinc/34/24/29/745342429.db2.gz MJHAJHGSKDXIGR-CYBMUJFWSA-N 0 3 287.411 1.910 20 10 CDCDHN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000790756987 745510055 /nfs/dbraw/zinc/51/00/55/745510055.db2.gz INYDWZUJQWCZLC-KGLIPLIRSA-N 0 3 297.395 1.765 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843364497 745631616 /nfs/dbraw/zinc/63/16/16/745631616.db2.gz KNZFKTGZVKDVHZ-MWLCHTKSSA-N 0 3 280.343 1.903 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC2CCC2)c1 ZINC000182464511 745708207 /nfs/dbraw/zinc/70/82/07/745708207.db2.gz WSNAGWZURJBGBT-LLVKDONJSA-N 0 3 292.379 1.968 20 10 CDCDHN C[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1ccccc1O ZINC000870988482 745801649 /nfs/dbraw/zinc/80/16/49/745801649.db2.gz QPOUNJJEKHGQIH-NEPJUHHUSA-N 0 3 278.352 1.338 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000877088226 745837352 /nfs/dbraw/zinc/83/73/52/745837352.db2.gz DHOGUKDYUIPSMZ-APPDUMDISA-N 0 3 255.383 1.947 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877119155 745892307 /nfs/dbraw/zinc/89/23/07/745892307.db2.gz BSHVCVTZCQJGGI-YPMHNXCESA-N 0 3 262.353 1.705 20 10 CDCDHN Cc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC000827119556 745965405 /nfs/dbraw/zinc/96/54/05/745965405.db2.gz NHABBVUASLFTAV-HNNXBMFYSA-N 0 3 276.380 1.607 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)CC(N)=O)c([O-])c1 ZINC000776251238 746087008 /nfs/dbraw/zinc/08/70/08/746087008.db2.gz RTVFHOASUSDSCP-SECBINFHSA-N 0 3 252.314 1.144 20 10 CDCDHN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000854734670 746164416 /nfs/dbraw/zinc/16/44/16/746164416.db2.gz AWGWUMLRHIUUIW-MRXNPFEDSA-N 0 3 290.363 1.656 20 10 CDCDHN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000854734670 746164432 /nfs/dbraw/zinc/16/44/32/746164432.db2.gz AWGWUMLRHIUUIW-MRXNPFEDSA-N 0 3 290.363 1.656 20 10 CDCDHN CCOc1cccc(CN[C@H](C)C(=O)N(C)OC)c1O ZINC000858325445 746330053 /nfs/dbraw/zinc/33/00/53/746330053.db2.gz YFJJVPQMOQUUAS-SNVBAGLBSA-N 0 3 282.340 1.289 20 10 CDCDHN Cn1ncc(Cl)c1CNCCc1ccc(N)cc1 ZINC000841038932 746354378 /nfs/dbraw/zinc/35/43/78/746354378.db2.gz VDIWFKAWDTTWPI-UHFFFAOYSA-N 0 3 264.760 1.988 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000050250418 746563265 /nfs/dbraw/zinc/56/32/65/746563265.db2.gz NQGYEHXLHVPXTN-JTQLQIEISA-N 0 3 266.316 1.515 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000126500038 746837648 /nfs/dbraw/zinc/83/76/48/746837648.db2.gz VQRZPFVJIZNQPR-ZJUUUORDSA-N 0 3 264.325 1.310 20 10 CDCDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000126500038 746837650 /nfs/dbraw/zinc/83/76/50/746837650.db2.gz VQRZPFVJIZNQPR-ZJUUUORDSA-N 0 3 264.325 1.310 20 10 CDCDHN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000322527531 746863418 /nfs/dbraw/zinc/86/34/18/746863418.db2.gz OJCOQAGTHPIMIP-RKDXNWHRSA-N 0 3 254.305 1.707 20 10 CDCDHN COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840104150 746870353 /nfs/dbraw/zinc/87/03/53/746870353.db2.gz JBGBAZJXCSLYTJ-ZBFHGGJFSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840104150 746870354 /nfs/dbraw/zinc/87/03/54/746870354.db2.gz JBGBAZJXCSLYTJ-ZBFHGGJFSA-N 0 3 293.363 1.676 20 10 CDCDHN Cc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000876541955 746941734 /nfs/dbraw/zinc/94/17/34/746941734.db2.gz NJJFGPFXMSPFFP-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC000788270370 747882189 /nfs/dbraw/zinc/88/21/89/747882189.db2.gz RHNFAEMHKXRDPA-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC000788270370 747882192 /nfs/dbraw/zinc/88/21/92/747882192.db2.gz RHNFAEMHKXRDPA-ZYHUDNBSSA-N 0 3 251.326 1.746 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H](C)OC ZINC000812304517 748087959 /nfs/dbraw/zinc/08/79/59/748087959.db2.gz XEOOXXDQBHSILJ-QMTHXVAHSA-N 0 3 281.352 1.675 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H](C)OC ZINC000812304517 748087963 /nfs/dbraw/zinc/08/79/63/748087963.db2.gz XEOOXXDQBHSILJ-QMTHXVAHSA-N 0 3 281.352 1.675 20 10 CDCDHN CSCC[C@H]([NH2+]Cc1ccccc1[O-])C(=O)N(C)C ZINC000808439050 748104828 /nfs/dbraw/zinc/10/48/28/748104828.db2.gz VGODAZMDSAIEBM-LBPRGKRZSA-N 0 3 282.409 1.692 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1[O-] ZINC000834897947 748227627 /nfs/dbraw/zinc/22/76/27/748227627.db2.gz XQWMCYULRDQGQX-GGZOMVNGSA-N 0 3 271.744 1.764 20 10 CDCDHN COc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(O)c1 ZINC000935770979 748262383 /nfs/dbraw/zinc/26/23/83/748262383.db2.gz MYCLYFUSVZHLTP-CQSZACIVSA-N 0 3 292.379 1.890 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000883184367 748335208 /nfs/dbraw/zinc/33/52/08/748335208.db2.gz VELQAHMLPHWUOM-KGLIPLIRSA-N 0 3 265.353 1.923 20 10 CDCDHN COCCNCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817964405 748629845 /nfs/dbraw/zinc/62/98/45/748629845.db2.gz BJTCNNTVFLZPSU-JTQLQIEISA-N 0 3 272.776 1.932 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c([O-])c1 ZINC000876743563 748713953 /nfs/dbraw/zinc/71/39/53/748713953.db2.gz ICTIVLFTXJGOCT-UHFFFAOYSA-N 0 3 274.364 1.803 20 10 CDCDHN CN(C)c1ccc(CN2CCSC[C@@H]2CO)cc1 ZINC000785760920 748761458 /nfs/dbraw/zinc/76/14/58/748761458.db2.gz ORFDSLSTJJJTGJ-AWEZNQCLSA-N 0 3 266.410 1.662 20 10 CDCDHN C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000922053055 749052927 /nfs/dbraw/zinc/05/29/27/749052927.db2.gz BDNRRRNLFBSRCY-NSHDSACASA-N 0 3 262.353 1.578 20 10 CDCDHN CN(C)c1cc(F)c(CNCCC[S@](C)=O)cc1F ZINC000858140087 749279807 /nfs/dbraw/zinc/27/98/07/749279807.db2.gz ZNYGEQVWXXWGLM-IBGZPJMESA-N 0 3 290.379 1.889 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c([O-])c1 ZINC000840825331 906401581 /nfs/dbraw/zinc/40/15/81/906401581.db2.gz DWHHFRDGZMTSJF-VXGBXAGGSA-N 0 3 262.353 1.877 20 10 CDCDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001206403732 916005786 /nfs/dbraw/zinc/00/57/86/916005786.db2.gz JBFGNBFPLADKOE-MNOVXSKESA-N 0 3 258.724 1.917 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCC[C@H]1O ZINC001204277312 916571955 /nfs/dbraw/zinc/57/19/55/916571955.db2.gz YPURRBAJSGGWNH-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@H]1O ZINC001204277312 916571967 /nfs/dbraw/zinc/57/19/67/916571967.db2.gz YPURRBAJSGGWNH-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1COCCO1 ZINC000827139980 936492782 /nfs/dbraw/zinc/49/27/82/936492782.db2.gz FQWLBTDHQSRGLN-LBPRGKRZSA-N 0 3 255.289 1.379 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1COCCO1 ZINC000827139980 936492783 /nfs/dbraw/zinc/49/27/83/936492783.db2.gz FQWLBTDHQSRGLN-LBPRGKRZSA-N 0 3 255.289 1.379 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001203621257 919681000 /nfs/dbraw/zinc/68/10/00/919681000.db2.gz QKWFFCOJFMJHRU-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001203621257 919681002 /nfs/dbraw/zinc/68/10/02/919681002.db2.gz QKWFFCOJFMJHRU-RISCZKNCSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc([O-])c(C[NH+]2CCC(C)(O)CC2)c(OC)c1 ZINC001141031269 936794702 /nfs/dbraw/zinc/79/47/02/936794702.db2.gz AVESBMOAQWSIPU-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc(O)c(CN2CCC(C)(O)CC2)c(OC)c1 ZINC001141031269 936794704 /nfs/dbraw/zinc/79/47/04/936794704.db2.gz AVESBMOAQWSIPU-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1c([O-])cc(OC)cc1OC ZINC001141031228 936794799 /nfs/dbraw/zinc/79/47/99/936794799.db2.gz ZJHMIDNXLBNQGI-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1c([O-])cc(OC)cc1OC ZINC001141031228 936794801 /nfs/dbraw/zinc/79/48/01/936794801.db2.gz ZJHMIDNXLBNQGI-UHFFFAOYSA-N 0 3 297.351 1.794 20 10 CDCDHN Oc1ccc(O)c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC001141161491 936822939 /nfs/dbraw/zinc/82/29/39/936822939.db2.gz FSMDWEXHGQFASZ-GFCCVEGCSA-N 0 3 274.324 1.526 20 10 CDCDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882578 925201297 /nfs/dbraw/zinc/20/12/97/925201297.db2.gz MSPNXHZURFQYNP-OAHLLOKOSA-N 0 3 279.336 1.873 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169626581 928248743 /nfs/dbraw/zinc/24/87/43/928248743.db2.gz SHXYDGGSFDJNEQ-AWEZNQCLSA-N 0 3 274.364 1.761 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169626581 928248753 /nfs/dbraw/zinc/24/87/53/928248753.db2.gz SHXYDGGSFDJNEQ-AWEZNQCLSA-N 0 3 274.364 1.761 20 10 CDCDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccccc1O ZINC000400752424 937260652 /nfs/dbraw/zinc/26/06/52/937260652.db2.gz DHFCBDDCRXEHCG-PWSUYJOCSA-N 0 3 250.342 1.772 20 10 CDCDHN C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148219024 932670230 /nfs/dbraw/zinc/67/02/30/932670230.db2.gz RVJCWJCVWNSNNN-MEBBXXQBSA-N 0 3 276.336 1.122 20 10 CDCDHN C[NH+](C)C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664474 939700025 /nfs/dbraw/zinc/70/00/25/939700025.db2.gz GLGNFCADBUZOTN-ZDUSSCGKSA-N 0 3 284.787 1.808 20 10 CDCDHN CN1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203879848 939711146 /nfs/dbraw/zinc/71/11/46/939711146.db2.gz GGLNHSNTKHYKKF-UHFFFAOYSA-N 0 3 290.363 1.542 20 10 CDCDHN COc1cc(CN2CC[C@@]3(CCOC3)C2)cc(O)c1O ZINC001204341896 939757231 /nfs/dbraw/zinc/75/72/31/939757231.db2.gz IEBAICRGJYHZEJ-OAHLLOKOSA-N 0 3 279.336 1.719 20 10 CDCDHN COc1cc(CN2CC(N3CCCCC3)C2)cc(O)c1O ZINC001204346178 939758210 /nfs/dbraw/zinc/75/82/10/939758210.db2.gz MDWXOWVFBVWVBM-UHFFFAOYSA-N 0 3 292.379 1.777 20 10 CDCDHN C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1C[NH3+] ZINC001205145760 939828762 /nfs/dbraw/zinc/82/87/62/939828762.db2.gz FWGYVEKUFKNUJV-WCBMZHEXSA-N 0 3 256.296 1.697 20 10 CDCDHN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206011421 939967031 /nfs/dbraw/zinc/96/70/31/939967031.db2.gz CDVSGSKMFHFLGI-YPMHNXCESA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206011421 939967032 /nfs/dbraw/zinc/96/70/32/939967032.db2.gz CDVSGSKMFHFLGI-YPMHNXCESA-N 0 3 292.379 1.897 20 10 CDCDHN CN(C)CCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231561890 942928646 /nfs/dbraw/zinc/92/86/46/942928646.db2.gz XFXQNVLZQWZUDH-UHFFFAOYSA-N 0 3 266.341 1.474 20 10 CDCDHN CN(C)CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231561890 942928653 /nfs/dbraw/zinc/92/86/53/942928653.db2.gz XFXQNVLZQWZUDH-UHFFFAOYSA-N 0 3 266.341 1.474 20 10 CDCDHN Cc1cc(C)c(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001231842460 943027382 /nfs/dbraw/zinc/02/73/82/943027382.db2.gz MNVSLJVNWYIHLN-OAHLLOKOSA-N 0 3 290.407 1.916 20 10 CDCDHN CO[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482681 943591265 /nfs/dbraw/zinc/59/12/65/943591265.db2.gz YBOCMCMJOHLUGX-JTQLQIEISA-N 0 3 253.298 1.414 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235674037 944239700 /nfs/dbraw/zinc/23/97/00/944239700.db2.gz CTKVQTFZRWYVIH-DOMZBBRYSA-N 0 3 279.380 1.475 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235674037 944239704 /nfs/dbraw/zinc/23/97/04/944239704.db2.gz CTKVQTFZRWYVIH-DOMZBBRYSA-N 0 3 279.380 1.475 20 10 CDCDHN CCc1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001236787696 944569396 /nfs/dbraw/zinc/56/93/96/944569396.db2.gz JYHLCCWTBWZNQE-HNNXBMFYSA-N 0 3 290.407 1.860 20 10 CDCDHN CC[C@H]([NH3+])CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001236868490 944596002 /nfs/dbraw/zinc/59/60/02/944596002.db2.gz DYDSHFWJMVEXGC-VIFPVBQESA-N 0 3 258.749 1.920 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001237037865 944642440 /nfs/dbraw/zinc/64/24/40/944642440.db2.gz AAMHTLPTFVVQJH-JSGCOSHPSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c([O-])c1 ZINC001237037865 944642446 /nfs/dbraw/zinc/64/24/46/944642446.db2.gz AAMHTLPTFVVQJH-JSGCOSHPSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1ccc(CN2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001237037865 944642453 /nfs/dbraw/zinc/64/24/53/944642453.db2.gz AAMHTLPTFVVQJH-JSGCOSHPSA-N 0 3 269.316 1.696 20 10 CDCDHN OC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119725 944661269 /nfs/dbraw/zinc/66/12/69/944661269.db2.gz FEDNSYGZTNYBAU-GZMMTYOYSA-N 0 3 289.734 1.360 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](F)[C@@H](O)C2)c1O ZINC001238057169 945041624 /nfs/dbraw/zinc/04/16/24/945041624.db2.gz JDGGNEUNNLFSLS-RYUDHWBXSA-N 0 3 257.280 1.744 20 10 CDCDHN COCC(C)(C)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001336116465 955248101 /nfs/dbraw/zinc/24/81/01/955248101.db2.gz FAYNPTXUMKSIEX-UHFFFAOYSA-N 0 3 277.412 1.811 20 10 CDCDHN COc1ccc(CNC[C@@H]2COCCN2)cc1C ZINC000258809696 356718772 /nfs/dbraw/zinc/71/87/72/356718772.db2.gz BKPDBLQNPJFHKS-CYBMUJFWSA-N 0 3 250.342 1.082 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179943500 357232511 /nfs/dbraw/zinc/23/25/11/357232511.db2.gz FFEBPZPATSZNJX-SECBINFHSA-N 0 3 255.289 1.772 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179943500 357232513 /nfs/dbraw/zinc/23/25/13/357232513.db2.gz FFEBPZPATSZNJX-SECBINFHSA-N 0 3 255.289 1.772 20 10 CDCDHN CNC(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000273605188 359004359 /nfs/dbraw/zinc/00/43/59/359004359.db2.gz TYIAKBJONUSJDC-JTQLQIEISA-N 0 3 266.341 1.578 20 10 CDCDHN COc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1C ZINC000037982775 359464299 /nfs/dbraw/zinc/46/42/99/359464299.db2.gz LZAXSJJAODTHMA-CYBMUJFWSA-N 0 3 283.393 1.528 20 10 CDCDHN C[S@](=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000281724903 363841763 /nfs/dbraw/zinc/84/17/63/363841763.db2.gz ITVLHBFIXMFFKL-KRWDZBQOSA-N 0 3 257.330 1.532 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCNC1=O ZINC000269456097 364198315 /nfs/dbraw/zinc/19/83/15/364198315.db2.gz GZDGEZASYAXEJC-CQSZACIVSA-N 0 3 261.369 1.463 20 10 CDCDHN Cc1ccc(O)c([C@H](C)N[C@H](CO)c2cnn(C)c2)c1 ZINC000273446759 365496710 /nfs/dbraw/zinc/49/67/10/365496710.db2.gz FHFLNNQUPSIKTH-SMDDNHRTSA-N 0 3 275.352 1.818 20 10 CDCDHN COc1cccc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000227213979 367391465 /nfs/dbraw/zinc/39/14/65/367391465.db2.gz JCADEKSHFBVAGP-UHFFFAOYSA-N 0 3 267.325 1.032 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000282325747 367832901 /nfs/dbraw/zinc/83/29/01/367832901.db2.gz LHKBBMCIQJTIJJ-SMDDNHRTSA-N 0 3 292.379 1.938 20 10 CDCDHN Cc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000362048113 369085972 /nfs/dbraw/zinc/08/59/72/369085972.db2.gz VLTYXBHZVDDIRU-HZPDHXFCSA-N 0 3 290.407 1.732 20 10 CDCDHN Cc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000362048112 369086046 /nfs/dbraw/zinc/08/60/46/369086046.db2.gz VLTYXBHZVDDIRU-HOTGVXAUSA-N 0 3 290.407 1.732 20 10 CDCDHN Cc1n[nH]c(CC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000272364172 371100774 /nfs/dbraw/zinc/10/07/74/371100774.db2.gz CHVZGQXGVQSSQH-UHFFFAOYSA-N 0 3 266.732 1.804 20 10 CDCDHN Cc1nc(CC[NH2+]Cc2c([O-])cccc2Cl)n[nH]1 ZINC000272364172 371100778 /nfs/dbraw/zinc/10/07/78/371100778.db2.gz CHVZGQXGVQSSQH-UHFFFAOYSA-N 0 3 266.732 1.804 20 10 CDCDHN C[C@@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000275048917 371198714 /nfs/dbraw/zinc/19/87/14/371198714.db2.gz ZOYGXAWSBUFYFB-SNVBAGLBSA-N 0 3 285.338 1.785 20 10 CDCDHN Cc1cc(C)c([C@H](C)NCCS(C)(=O)=O)c(O)c1 ZINC000293868085 378600438 /nfs/dbraw/zinc/60/04/38/378600438.db2.gz UVFXCURVKFIYSS-NSHDSACASA-N 0 3 271.382 1.704 20 10 CDCDHN COCC[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000282169978 285134519 /nfs/dbraw/zinc/13/45/19/285134519.db2.gz JFOACFNHLPLAOU-LBPRGKRZSA-N 0 3 270.348 1.379 20 10 CDCDHN COc1cccc(CNC(=O)[C@H](C(C)C)N(C)C)c1O ZINC000106916192 390561670 /nfs/dbraw/zinc/56/16/70/390561670.db2.gz UJAKGFPSQVCMMU-ZDUSSCGKSA-N 0 3 280.368 1.603 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000119918794 390860885 /nfs/dbraw/zinc/86/08/85/390860885.db2.gz XNFFMKOOEDNWNP-GFCCVEGCSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000119918794 390860888 /nfs/dbraw/zinc/86/08/88/390860888.db2.gz XNFFMKOOEDNWNP-GFCCVEGCSA-N 0 3 262.353 1.706 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000133340177 390902381 /nfs/dbraw/zinc/90/23/81/390902381.db2.gz HJIBTCXZSSHDCN-UHFFFAOYSA-N 0 3 278.352 1.359 20 10 CDCDHN COc1cccc(CN2CCC[C@@H](OCCO)C2)c1O ZINC000179577740 391212654 /nfs/dbraw/zinc/21/26/54/391212654.db2.gz FUKHVOBDBAFZDP-CYBMUJFWSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@H](CO)C2)cc1OC ZINC000183371097 391263390 /nfs/dbraw/zinc/26/33/90/391263390.db2.gz FLQLVUVKFIQDJO-LLVKDONJSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000183371097 391263396 /nfs/dbraw/zinc/26/33/96/391263396.db2.gz FLQLVUVKFIQDJO-LLVKDONJSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000183371097 391263402 /nfs/dbraw/zinc/26/34/02/391263402.db2.gz FLQLVUVKFIQDJO-LLVKDONJSA-N 0 3 281.352 1.614 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000193679852 391343909 /nfs/dbraw/zinc/34/39/09/391343909.db2.gz XIFZEAFHFHLCCD-IAQYHMDHSA-N 0 3 292.379 1.795 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289537599 391616122 /nfs/dbraw/zinc/61/61/22/391616122.db2.gz HWICPJDQFXMRIF-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289537599 391616127 /nfs/dbraw/zinc/61/61/27/391616127.db2.gz HWICPJDQFXMRIF-GDBMZVCRSA-N 0 3 290.407 1.996 20 10 CDCDHN CC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccccc1[O-] ZINC000038060225 174070592 /nfs/dbraw/zinc/07/05/92/174070592.db2.gz VOUZJJOSIHZPBA-WCQYABFASA-N 0 3 251.326 1.848 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083267 174092572 /nfs/dbraw/zinc/09/25/72/174092572.db2.gz RCJRJCPSWZXEIY-NWDGAFQWSA-N 0 3 283.393 1.786 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000036932840 260157058 /nfs/dbraw/zinc/15/70/58/260157058.db2.gz VFNAWOLCRQTDRF-GFCCVEGCSA-N 0 3 250.342 1.203 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000184670143 262026073 /nfs/dbraw/zinc/02/60/73/262026073.db2.gz MNVPICDTYNBXBC-SECBINFHSA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000184670143 262026074 /nfs/dbraw/zinc/02/60/74/262026074.db2.gz MNVPICDTYNBXBC-SECBINFHSA-N 0 3 298.770 1.752 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177617 262082662 /nfs/dbraw/zinc/08/26/62/262082662.db2.gz ZFWRFAQUJIQDOK-FZMZJTMJSA-N 0 3 251.326 1.503 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220382 262312285 /nfs/dbraw/zinc/31/22/85/262312285.db2.gz YINIDERFVARCHB-VIFPVBQESA-N 0 3 266.341 1.563 20 10 CDCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000367700771 267110932 /nfs/dbraw/zinc/11/09/32/267110932.db2.gz CVHOCZOLJHFHCW-VIFPVBQESA-N 0 3 252.289 1.229 20 10 CDCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000367700771 267110936 /nfs/dbraw/zinc/11/09/36/267110936.db2.gz CVHOCZOLJHFHCW-VIFPVBQESA-N 0 3 252.289 1.229 20 10 CDCDHN CC(C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037262753 279579988 /nfs/dbraw/zinc/57/99/88/279579988.db2.gz CGMZOFDAWYADDB-GFCCVEGCSA-N 0 3 263.385 1.928 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000187986685 329364675 /nfs/dbraw/zinc/36/46/75/329364675.db2.gz QEHRNRVTVRUSCJ-CMPLNLGQSA-N 0 3 251.326 1.651 20 10 CDCDHN Cc1ccc([C@H](C)NCC(=O)N2CCOCC2)c(O)c1C ZINC000273517863 518189729 /nfs/dbraw/zinc/18/97/29/518189729.db2.gz SVLBJHHOFYCOSC-ZDUSSCGKSA-N 0 3 292.379 1.518 20 10 CDCDHN CCC(CC)(CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000053066983 521458969 /nfs/dbraw/zinc/45/89/69/521458969.db2.gz VUIRIDJLPKTRDH-UHFFFAOYSA-N 0 3 267.325 1.762 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000367738459 524392808 /nfs/dbraw/zinc/39/28/08/524392808.db2.gz AVHLDNUOBCEVPQ-CQSZACIVSA-N 0 3 289.379 1.690 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000367738459 524392824 /nfs/dbraw/zinc/39/28/24/524392824.db2.gz AVHLDNUOBCEVPQ-CQSZACIVSA-N 0 3 289.379 1.690 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000037782227 526037651 /nfs/dbraw/zinc/03/76/51/526037651.db2.gz YPJGHBCVZINZFX-LLVKDONJSA-N 0 3 278.352 1.501 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280365649 527580227 /nfs/dbraw/zinc/58/02/27/527580227.db2.gz UHGUOKXJYIKVFY-QWHCGFSZSA-N 0 3 251.326 1.127 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280365645 527581076 /nfs/dbraw/zinc/58/10/76/527581076.db2.gz UHGUOKXJYIKVFY-CHWSQXEVSA-N 0 3 251.326 1.127 20 10 CDCDHN CCNC(=O)C1(C[NH2+]Cc2c([O-])cccc2OC)CCC1 ZINC000752933833 574727654 /nfs/dbraw/zinc/72/76/54/574727654.db2.gz RNUZCAFMJNQTKN-UHFFFAOYSA-N 0 3 292.379 1.797 20 10 CDCDHN C[N@H+](CCCN1CCOC1=O)Cc1ccccc1[O-] ZINC000731843106 575065069 /nfs/dbraw/zinc/06/50/69/575065069.db2.gz VVZNIAXVVDKCDH-UHFFFAOYSA-N 0 3 264.325 1.666 20 10 CDCDHN C[N@@H+](CCCN1CCOC1=O)Cc1ccccc1[O-] ZINC000731843106 575065070 /nfs/dbraw/zinc/06/50/70/575065070.db2.gz VVZNIAXVVDKCDH-UHFFFAOYSA-N 0 3 264.325 1.666 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000769516543 575354925 /nfs/dbraw/zinc/35/49/25/575354925.db2.gz MSXUYVNGRWFUCV-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000769516543 575354928 /nfs/dbraw/zinc/35/49/28/575354928.db2.gz MSXUYVNGRWFUCV-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734843805 575387106 /nfs/dbraw/zinc/38/71/06/575387106.db2.gz CCJIRZMSNJVSSK-INIZCTEOSA-N 0 3 294.370 1.523 20 10 CDCDHN CCOC(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000770665974 575483673 /nfs/dbraw/zinc/48/36/73/575483673.db2.gz QUWGYGUNAGTKNR-UHFFFAOYSA-N 0 3 267.300 1.964 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(C)ccc2[O-])CCCOC1 ZINC000770675610 575484314 /nfs/dbraw/zinc/48/43/14/575484314.db2.gz PAKYLJAIYAZUTM-MRXNPFEDSA-N 0 3 293.363 1.903 20 10 CDCDHN CC(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000773018090 575774013 /nfs/dbraw/zinc/77/40/13/575774013.db2.gz HENWHKLSXQSKEI-GHMZBOCLSA-N 0 3 298.408 1.363 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000768137295 576260040 /nfs/dbraw/zinc/26/00/40/576260040.db2.gz IXKYIWKZDZWNGG-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000768137295 576260043 /nfs/dbraw/zinc/26/00/43/576260043.db2.gz IXKYIWKZDZWNGG-LLVKDONJSA-N 0 3 264.325 1.098 20 10 CDCDHN CCN1CCN(Cc2c(O)cccc2OC)C[C@@H]1C ZINC000769379548 576350603 /nfs/dbraw/zinc/35/06/03/576350603.db2.gz BNYBWJBVDMYSTE-LBPRGKRZSA-N 0 3 264.369 1.927 20 10 CDCDHN COCC1(O)CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769451785 576355037 /nfs/dbraw/zinc/35/50/37/576355037.db2.gz NWPPEEIMZWCHKH-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000761223918 576561122 /nfs/dbraw/zinc/56/11/22/576561122.db2.gz VCNKQELSMTUBLD-ZFWWWQNUSA-N 0 3 281.352 1.684 20 10 CDCDHN CN(C)c1ccc(CN(C)C2CC(O)C2)cc1F ZINC000761222192 576561178 /nfs/dbraw/zinc/56/11/78/576561178.db2.gz IUPYCJIOFJANCP-UHFFFAOYSA-N 0 3 252.333 1.847 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000761222162 576561293 /nfs/dbraw/zinc/56/12/93/576561293.db2.gz IMCWPUUSELAHHU-GXTWGEPZSA-N 0 3 269.316 1.815 20 10 CDCDHN CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748373447 576909337 /nfs/dbraw/zinc/90/93/37/576909337.db2.gz TWVWYUVDNSDIMV-SNVBAGLBSA-N 0 3 268.382 1.868 20 10 CDCDHN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748373447 576909338 /nfs/dbraw/zinc/90/93/38/576909338.db2.gz TWVWYUVDNSDIMV-SNVBAGLBSA-N 0 3 268.382 1.868 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000756776059 577003604 /nfs/dbraw/zinc/00/36/04/577003604.db2.gz VHVJWAMSSJCSND-MPKXVKKWSA-N 0 3 292.379 1.966 20 10 CDCDHN CN(C)c1ccc(CNc2ccncc2CO)cc1F ZINC000892131467 617496896 /nfs/dbraw/zinc/49/68/96/617496896.db2.gz IZSLEFKKUWLLEZ-UHFFFAOYSA-N 0 3 275.327 1.813 20 10 CDCDHN C[NH2+]CCN(C)Cc1cc(Br)ccc1[O-] ZINC000220342772 620783522 /nfs/dbraw/zinc/78/35/22/620783522.db2.gz AGUZVDBSGMINQZ-UHFFFAOYSA-N 0 3 273.174 1.806 20 10 CDCDHN COC(=O)c1c(CNC[C@H](C)O)c2cc(F)ccc2n1C ZINC000894358558 618818601 /nfs/dbraw/zinc/81/86/01/618818601.db2.gz GYNFZTPVWUARKD-VIFPVBQESA-N 0 3 294.326 1.574 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000897889035 621193650 /nfs/dbraw/zinc/19/36/50/621193650.db2.gz LUZJBJDOFGULPK-GDBMZVCRSA-N 0 3 277.364 1.905 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929973290 632192945 /nfs/dbraw/zinc/19/29/45/632192945.db2.gz YBWUEGKAIHMRKU-NOLJZWGESA-N 0 3 295.379 1.115 20 10 CDCDHN C[C@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929973290 632192951 /nfs/dbraw/zinc/19/29/51/632192951.db2.gz YBWUEGKAIHMRKU-NOLJZWGESA-N 0 3 295.379 1.115 20 10 CDCDHN CC(C)(C[NH3+])NCc1c([O-])cccc1Br ZINC001575318364 1171150099 /nfs/dbraw/zinc/15/00/99/1171150099.db2.gz SFSKBAMSIHZCCC-UHFFFAOYSA-N 0 3 273.174 1.982 20 10 CDCDHN CC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000130415711 751347623 /nfs/dbraw/zinc/34/76/23/751347623.db2.gz ZHHNMLNAEMJXPC-LLVKDONJSA-N 0 3 253.321 1.245 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000783524604 753500230 /nfs/dbraw/zinc/50/02/30/753500230.db2.gz HZXSMKDXOCBJSL-RAIGVLPGSA-N 0 3 262.353 1.958 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)C1CCOCC1)CC2 ZINC000834761958 751648551 /nfs/dbraw/zinc/64/85/51/751648551.db2.gz WJLOSYVPVVFREP-KGLIPLIRSA-N 0 3 277.364 1.757 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877544061 751824056 /nfs/dbraw/zinc/82/40/56/751824056.db2.gz LGBMUHBWRTYGPT-UHFFFAOYSA-N 0 3 292.379 1.932 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061087 751848517 /nfs/dbraw/zinc/84/85/17/751848517.db2.gz JMZVIMAIWYSTDM-DGCLKSJQSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061087 751848518 /nfs/dbraw/zinc/84/85/18/751848518.db2.gz JMZVIMAIWYSTDM-DGCLKSJQSA-N 0 3 265.353 1.851 20 10 CDCDHN C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000858602098 751880133 /nfs/dbraw/zinc/88/01/33/751880133.db2.gz QAMYAYAMWRSXNG-JQWIXIFHSA-N 0 3 268.332 1.249 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000877629562 752038037 /nfs/dbraw/zinc/03/80/37/752038037.db2.gz VRHYTCKAYJNADX-OCCSQVGLSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000877629562 752038049 /nfs/dbraw/zinc/03/80/49/752038049.db2.gz VRHYTCKAYJNADX-OCCSQVGLSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCC(=O)N(C)C1=O ZINC000822520706 752050754 /nfs/dbraw/zinc/05/07/54/752050754.db2.gz MOCAHMNZXPAIIR-CQSZACIVSA-N 0 3 289.379 1.298 20 10 CDCDHN Cc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c([O-])c1 ZINC000877499157 752180587 /nfs/dbraw/zinc/18/05/87/752180587.db2.gz LVYVIENUTNNECB-QGZVFWFLSA-N 0 3 253.367 1.701 20 10 CDCDHN COC[C@]1(CO)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877573060 749488263 /nfs/dbraw/zinc/48/82/63/749488263.db2.gz KZZDMMGXUOXECQ-OAHLLOKOSA-N 0 3 265.353 1.531 20 10 CDCDHN COC[C@]1(CO)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877573060 749488255 /nfs/dbraw/zinc/48/82/55/749488255.db2.gz KZZDMMGXUOXECQ-OAHLLOKOSA-N 0 3 265.353 1.531 20 10 CDCDHN C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1[O-] ZINC000858548859 749510661 /nfs/dbraw/zinc/51/06/61/749510661.db2.gz PWXHGOJUQSKOBQ-VXGBXAGGSA-N 0 3 250.342 1.109 20 10 CDCDHN CO[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000231293646 749626804 /nfs/dbraw/zinc/62/68/04/749626804.db2.gz WERUKKBQFKDGFR-ZDUSSCGKSA-N 0 3 255.289 1.426 20 10 CDCDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NCCF)c1O ZINC000846168310 749711736 /nfs/dbraw/zinc/71/17/36/749711736.db2.gz RYIVIIWDWSDJKM-NXEZZACHSA-N 0 3 284.331 1.526 20 10 CDCDHN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000312049296 749925658 /nfs/dbraw/zinc/92/56/58/749925658.db2.gz WMBICONETCZDRN-GXSJLCMTSA-N 0 3 264.325 1.262 20 10 CDCDHN COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000385316831 750048383 /nfs/dbraw/zinc/04/83/83/750048383.db2.gz GPVVXLUGEHPUCD-GXFFZTMASA-N 0 3 251.326 1.915 20 10 CDCDHN COC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382568224 750231497 /nfs/dbraw/zinc/23/14/97/750231497.db2.gz OXWZXBQWGHHBON-RISCZKNCSA-N 0 3 251.326 1.367 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCCCC1 ZINC000126360038 750850047 /nfs/dbraw/zinc/85/00/47/750850047.db2.gz FORPPNGPDIISAD-NSHDSACASA-N 0 3 278.352 1.702 20 10 CDCDHN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000311001029 750853588 /nfs/dbraw/zinc/85/35/88/750853588.db2.gz XROPUHRJIOTBBQ-NSHDSACASA-N 0 3 271.382 1.866 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000793286098 751316730 /nfs/dbraw/zinc/31/67/30/751316730.db2.gz OORNQOSNCHBHIN-ZDUSSCGKSA-N 0 3 292.379 1.749 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000794968174 752509616 /nfs/dbraw/zinc/50/96/16/752509616.db2.gz PPKZWOKOOLOHHO-FICVDOATSA-N 0 3 274.364 1.603 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852437800 752606688 /nfs/dbraw/zinc/60/66/88/752606688.db2.gz HYKISHVRXPLAKJ-HNNXBMFYSA-N 0 3 289.379 1.779 20 10 CDCDHN CCOCc1cc(CN[C@H](CO)[C@@H](C)O)ccc1OC ZINC000842220949 752803458 /nfs/dbraw/zinc/80/34/58/752803458.db2.gz LDEDBJFCTRTJNL-BXUZGUMPSA-N 0 3 283.368 1.063 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CO)CCOCC1 ZINC000877115388 752831580 /nfs/dbraw/zinc/83/15/80/752831580.db2.gz DNFKYMFAFDMCSK-UHFFFAOYSA-N 0 3 265.353 1.579 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccccc1[O-] ZINC000858580381 752863506 /nfs/dbraw/zinc/86/35/06/752863506.db2.gz ZCDRWAXVIUNTAT-JQWIXIFHSA-N 0 3 266.341 1.841 20 10 CDCDHN CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862542389 752948138 /nfs/dbraw/zinc/94/81/38/752948138.db2.gz NQGTYGVNLWWZGO-MRVPVSSYSA-N 0 3 256.277 1.029 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1[O-] ZINC000848562493 753074531 /nfs/dbraw/zinc/07/45/31/753074531.db2.gz DTDFSVJMBHREPS-GXSJLCMTSA-N 0 3 290.342 1.868 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000877057126 753303197 /nfs/dbraw/zinc/30/31/97/753303197.db2.gz VAGUXDOQHXSRND-AWEZNQCLSA-N 0 3 278.396 1.759 20 10 CDCDHN CCOc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c([O-])c1 ZINC000922939286 753428882 /nfs/dbraw/zinc/42/88/82/753428882.db2.gz NQBUHAOWTNOALC-CQSZACIVSA-N 0 3 281.352 1.686 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000779199751 753496992 /nfs/dbraw/zinc/49/69/92/753496992.db2.gz KVJLTWNMIZSBJH-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000779199751 753496993 /nfs/dbraw/zinc/49/69/93/753496993.db2.gz KVJLTWNMIZSBJH-CMPLNLGQSA-N 0 3 251.326 1.604 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(N(C)C)CC2)c([O-])c1 ZINC000841890787 753811609 /nfs/dbraw/zinc/81/16/09/753811609.db2.gz FLLSGWNLGVIHHP-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877119154 1165979035 /nfs/dbraw/zinc/97/90/35/1165979035.db2.gz BSHVCVTZCQJGGI-WCQYABFASA-N 0 3 262.353 1.705 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172597982 911763472 /nfs/dbraw/zinc/76/34/72/911763472.db2.gz PZJYHUUZIDZEOG-ZYHUDNBSSA-N 0 3 279.336 1.919 20 10 CDCDHN O=C1NCCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204279120 916602736 /nfs/dbraw/zinc/60/27/36/916602736.db2.gz RGYLWELIDXQVKM-UHFFFAOYSA-N 0 3 290.363 1.590 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Cl ZINC001206433135 916653476 /nfs/dbraw/zinc/65/34/76/916653476.db2.gz DFDZCVWRVPLGSF-NXEZZACHSA-N 0 3 288.750 1.925 20 10 CDCDHN Cc1cc(CN(C)C[C@H](O)CO)c(C)n1-c1ccccc1 ZINC001137855547 936423061 /nfs/dbraw/zinc/42/30/61/936423061.db2.gz BASYYCGIBVHMAL-KRWDZBQOSA-N 0 3 288.391 1.879 20 10 CDCDHN O=C1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]2CCCN12 ZINC001140056155 936674480 /nfs/dbraw/zinc/67/44/80/936674480.db2.gz JYHBSYLONMVQBQ-ZDUSSCGKSA-N 0 3 278.327 1.728 20 10 CDCDHN O=C1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]2CCCN12 ZINC001140056155 936674481 /nfs/dbraw/zinc/67/44/81/936674481.db2.gz JYHBSYLONMVQBQ-ZDUSSCGKSA-N 0 3 278.327 1.728 20 10 CDCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140749457 936749811 /nfs/dbraw/zinc/74/98/11/936749811.db2.gz APBYALZGSUYXGS-LBPRGKRZSA-N 0 3 293.367 1.300 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026195 936794076 /nfs/dbraw/zinc/79/40/76/936794076.db2.gz HSDIVGFUWBJFFK-PHIMTYICSA-N 0 3 279.336 1.488 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026195 936794078 /nfs/dbraw/zinc/79/40/78/936794078.db2.gz HSDIVGFUWBJFFK-PHIMTYICSA-N 0 3 279.336 1.488 20 10 CDCDHN CC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145338 936820331 /nfs/dbraw/zinc/82/03/31/936820331.db2.gz URWGEDDLLNESOY-AWEZNQCLSA-N 0 3 274.364 1.926 20 10 CDCDHN CCO[C@@H]1CN(Cc2cc(O)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001141157864 936822509 /nfs/dbraw/zinc/82/25/09/936822509.db2.gz NXQCCHBKGKDLCR-BMFZPTHFSA-N 0 3 293.363 1.866 20 10 CDCDHN C[C@@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCCN4C)C[C@H]12 ZINC001141145206 936820427 /nfs/dbraw/zinc/82/04/27/936820427.db2.gz RSMCCNKOLFBGMY-SUYBPPKGSA-N 0 3 288.391 1.982 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@H]1OC ZINC000775978931 925737057 /nfs/dbraw/zinc/73/70/57/925737057.db2.gz PIBDSDALZOELRA-KCPJHIHWSA-N 0 3 281.352 1.683 20 10 CDCDHN CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1OC ZINC000775979204 925737100 /nfs/dbraw/zinc/73/71/00/925737100.db2.gz RTYKAEIRLFOYFN-NUEKZKHPSA-N 0 3 277.364 1.904 20 10 CDCDHN Cc1c(CN2CCOC[C@H](O)C2)c2ccccc2n1C ZINC001138252760 933263943 /nfs/dbraw/zinc/26/39/43/933263943.db2.gz SYBUSFDBYNESAJ-CYBMUJFWSA-N 0 3 274.364 1.680 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CF)C1)[C@H](O)CO2 ZINC001119331214 937710517 /nfs/dbraw/zinc/71/05/17/937710517.db2.gz MZLPWJHZRJHWOZ-NOZJJQNGSA-N 0 3 267.300 1.609 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CF)C1)[C@H](O)CO2 ZINC001119331214 937710518 /nfs/dbraw/zinc/71/05/18/937710518.db2.gz MZLPWJHZRJHWOZ-NOZJJQNGSA-N 0 3 267.300 1.609 20 10 CDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2F)N(C)C)cc1 ZINC001121170461 937859781 /nfs/dbraw/zinc/85/97/81/937859781.db2.gz HIYSSAGVYFAYCK-ILXRZTDVSA-N 0 3 293.386 1.830 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2O)CCCO1 ZINC001203634632 939699097 /nfs/dbraw/zinc/69/90/97/939699097.db2.gz OMKPKFHOYADJEE-AWEZNQCLSA-N 0 3 295.335 1.165 20 10 CDCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[C@]1(C)O ZINC001203875206 939710444 /nfs/dbraw/zinc/71/04/44/939710444.db2.gz KFXPEYZXWLRUSX-YGRLFVJLSA-N 0 3 251.326 1.691 20 10 CDCDHN COCCCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203934321 939714405 /nfs/dbraw/zinc/71/44/05/939714405.db2.gz QMNRAKNCRRLREZ-UHFFFAOYSA-N 0 3 291.439 1.907 20 10 CDCDHN COC[C@@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204342176 939757068 /nfs/dbraw/zinc/75/70/68/939757068.db2.gz JKVKLZGXNXTSRN-SNVBAGLBSA-N 0 3 267.325 1.575 20 10 CDCDHN CN(C)c1ccc(CNC23CC(C(N)=O)(C2)C3)c(Cl)c1 ZINC001277551004 942976207 /nfs/dbraw/zinc/97/62/07/942976207.db2.gz IHKGMOOOQQPYDX-UHFFFAOYSA-N 0 3 293.798 1.904 20 10 CDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277569039 943020018 /nfs/dbraw/zinc/02/00/18/943020018.db2.gz SSZLTOMTRVJUFJ-ZDUSSCGKSA-N 0 3 274.364 1.611 20 10 CDCDHN CN(Cc1cc(O)c(O)c(O)c1)CC1(C)COC1 ZINC001233014038 943463299 /nfs/dbraw/zinc/46/32/99/943463299.db2.gz XEKGZFBNLFTVJC-UHFFFAOYSA-N 0 3 253.298 1.272 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001236783065 944567164 /nfs/dbraw/zinc/56/71/64/944567164.db2.gz HQJMLHYDSGECDL-HZPDHXFCSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001236783065 944567171 /nfs/dbraw/zinc/56/71/71/944567171.db2.gz HQJMLHYDSGECDL-HZPDHXFCSA-N 0 3 279.380 1.520 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001237485434 944810512 /nfs/dbraw/zinc/81/05/12/944810512.db2.gz IOFCNZROSWWYJX-INIZCTEOSA-N 0 3 274.364 1.803 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001237485434 944810521 /nfs/dbraw/zinc/81/05/21/944810521.db2.gz IOFCNZROSWWYJX-INIZCTEOSA-N 0 3 274.364 1.803 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237496141 944818110 /nfs/dbraw/zinc/81/81/10/944818110.db2.gz WLQOLFGFFFCDBM-LBPRGKRZSA-N 0 3 279.336 1.465 20 10 CDCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237496141 944818114 /nfs/dbraw/zinc/81/81/14/944818114.db2.gz WLQOLFGFFFCDBM-LBPRGKRZSA-N 0 3 279.336 1.465 20 10 CDCDHN COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)c(O)c(OC)c1 ZINC001237680239 944924153 /nfs/dbraw/zinc/92/41/53/944924153.db2.gz IJJOFRGJFQWBGP-BETUJISGSA-N 0 3 292.379 1.688 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001256020892 948162586 /nfs/dbraw/zinc/16/25/86/948162586.db2.gz RKPJQGRMCIKROA-LLVKDONJSA-N 0 3 280.324 1.418 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861427 948487220 /nfs/dbraw/zinc/48/72/20/948487220.db2.gz JRECCTYUBQCKRN-KGLIPLIRSA-N 0 3 292.379 1.508 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861427 948487226 /nfs/dbraw/zinc/48/72/26/948487226.db2.gz JRECCTYUBQCKRN-KGLIPLIRSA-N 0 3 292.379 1.508 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249215288 949457757 /nfs/dbraw/zinc/45/77/57/949457757.db2.gz ZLZWPUYTNYUYAA-CYBMUJFWSA-N 0 3 291.347 1.519 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249215288 949457767 /nfs/dbraw/zinc/45/77/67/949457767.db2.gz ZLZWPUYTNYUYAA-CYBMUJFWSA-N 0 3 291.347 1.519 20 10 CDCDHN COc1cccc([C@H](O)CNCc2ccc(O)c(O)c2)c1 ZINC001250740061 950342132 /nfs/dbraw/zinc/34/21/32/950342132.db2.gz OXJIRLPRONKUNE-MRXNPFEDSA-N 0 3 289.331 1.930 20 10 CDCDHN CCCN(C)CC(=O)NCc1cc(O)ccc1O ZINC001303223637 956067738 /nfs/dbraw/zinc/06/77/38/956067738.db2.gz YOURKKKXIDUTCE-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCC(CO)CC1)CC2 ZINC001347934599 965753872 /nfs/dbraw/zinc/75/38/72/965753872.db2.gz CVRJVTRFEQWPFZ-OAHLLOKOSA-N 0 3 290.407 1.673 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)ccc1[O-] ZINC000295041393 199315665 /nfs/dbraw/zinc/31/56/65/199315665.db2.gz MQMPANMLAXTFBL-LBPRGKRZSA-N 0 3 286.397 1.118 20 10 CDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000185815318 357579870 /nfs/dbraw/zinc/57/98/70/357579870.db2.gz FJIIKDDFXREEOC-PCAWENJQSA-N 0 3 251.326 1.818 20 10 CDCDHN CC1CC[NH+](CCCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000186795400 357692417 /nfs/dbraw/zinc/69/24/17/357692417.db2.gz WVVZZLXVGDPJQP-UHFFFAOYSA-N 0 3 292.379 1.950 20 10 CDCDHN CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(O)c1[O-] ZINC000193131563 358267834 /nfs/dbraw/zinc/26/78/34/358267834.db2.gz OOJYGPSODXMTDA-LLVKDONJSA-N 0 3 296.367 1.184 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC(C)(C)CO)cc1OC ZINC000294768279 199173863 /nfs/dbraw/zinc/17/38/63/199173863.db2.gz JYTICYQMRPPSFV-UHFFFAOYSA-N 0 3 283.368 1.860 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC(C)(C)CO)cc1OC ZINC000294768279 199173864 /nfs/dbraw/zinc/17/38/64/199173864.db2.gz JYTICYQMRPPSFV-UHFFFAOYSA-N 0 3 283.368 1.860 20 10 CDCDHN CCOc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O ZINC000193693948 358316489 /nfs/dbraw/zinc/31/64/89/358316489.db2.gz IVGFXLPJLQSBPU-ZWNOBZJWSA-N 0 3 278.352 1.405 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)COC2)c([O-])c1 ZINC000294832135 199203405 /nfs/dbraw/zinc/20/34/05/199203405.db2.gz RDNVMIJHDGIYMT-LBPRGKRZSA-N 0 3 265.353 1.669 20 10 CDCDHN C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1[O-] ZINC000091619353 358520395 /nfs/dbraw/zinc/52/03/95/358520395.db2.gz LRBACASTEUWWHF-CYBMUJFWSA-N 0 3 264.369 1.545 20 10 CDCDHN C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000091619353 358520397 /nfs/dbraw/zinc/52/03/97/358520397.db2.gz LRBACASTEUWWHF-CYBMUJFWSA-N 0 3 264.369 1.545 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(O)CCSC1)CC2 ZINC000297744362 200274151 /nfs/dbraw/zinc/27/41/51/200274151.db2.gz OCYMIBHSDSEVEN-BXUZGUMPSA-N 0 3 265.378 1.837 20 10 CDCDHN COCCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000123018719 360252091 /nfs/dbraw/zinc/25/20/91/360252091.db2.gz QCCANDIUNOPBRB-UHFFFAOYSA-N 0 3 264.369 1.465 20 10 CDCDHN COC1(C[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000123183329 360266565 /nfs/dbraw/zinc/26/65/65/360266565.db2.gz DDQDEFLLLRQDNY-UHFFFAOYSA-N 0 3 251.326 1.677 20 10 CDCDHN COCCN(C)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000124759011 360395807 /nfs/dbraw/zinc/39/58/07/360395807.db2.gz ACEPEHOZZIQXAL-UHFFFAOYSA-N 0 3 252.358 1.368 20 10 CDCDHN COC[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1O ZINC000234889737 360968848 /nfs/dbraw/zinc/96/88/48/360968848.db2.gz SBQGNBPUBUKLFP-VHSXEESVSA-N 0 3 255.314 1.059 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000234889737 360968850 /nfs/dbraw/zinc/96/88/50/360968850.db2.gz SBQGNBPUBUKLFP-VHSXEESVSA-N 0 3 255.314 1.059 20 10 CDCDHN COc1cc([O-])c(C[N@H+](CCO)C(C)C)cc1OC ZINC000271779529 364998120 /nfs/dbraw/zinc/99/81/20/364998120.db2.gz GORCHLACHADVBW-UHFFFAOYSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](CCO)C(C)C)cc1OC ZINC000271779529 364998128 /nfs/dbraw/zinc/99/81/28/364998128.db2.gz GORCHLACHADVBW-UHFFFAOYSA-N 0 3 269.341 1.612 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(C)=O)c1 ZINC000182463673 365126655 /nfs/dbraw/zinc/12/66/55/365126655.db2.gz WJZVEYWCCZVBDI-SNVBAGLBSA-N 0 3 266.341 1.578 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272559712 365293317 /nfs/dbraw/zinc/29/33/17/365293317.db2.gz SXBRBXPLXZECGC-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272559712 365293323 /nfs/dbraw/zinc/29/33/23/365293323.db2.gz SXBRBXPLXZECGC-WDEREUQCSA-N 0 3 251.326 1.604 20 10 CDCDHN O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000273709815 365518105 /nfs/dbraw/zinc/51/81/05/365518105.db2.gz FVUSIWOBRGBMLZ-CYBMUJFWSA-N 0 3 275.352 1.428 20 10 CDCDHN O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000273709815 365518107 /nfs/dbraw/zinc/51/81/07/365518107.db2.gz FVUSIWOBRGBMLZ-CYBMUJFWSA-N 0 3 275.352 1.428 20 10 CDCDHN Cc1ccc([C@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490426 365500417 /nfs/dbraw/zinc/50/04/17/365500417.db2.gz OCMBNWPAKVOWNH-FZMZJTMJSA-N 0 3 275.352 1.818 20 10 CDCDHN CO[C@H](C)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000263791895 370861591 /nfs/dbraw/zinc/86/15/91/370861591.db2.gz HTXNVTZOIFDXFM-SECBINFHSA-N 0 3 253.298 1.636 20 10 CDCDHN CCOCc1cc(CNC[C@H]2COCCN2)ccc1OC ZINC000530181245 368147326 /nfs/dbraw/zinc/14/73/26/368147326.db2.gz KGOIPGRRHSTPLL-HNNXBMFYSA-N 0 3 294.395 1.310 20 10 CDCDHN Cc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000362048114 369085515 /nfs/dbraw/zinc/08/55/15/369085515.db2.gz VLTYXBHZVDDIRU-JKSUJKDBSA-N 0 3 290.407 1.732 20 10 CDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000296000966 371556374 /nfs/dbraw/zinc/55/63/74/371556374.db2.gz KWJCZCHSXOMZFW-UHFFFAOYSA-N 0 3 289.379 1.021 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000163297645 377531625 /nfs/dbraw/zinc/53/16/25/377531625.db2.gz YCCPZARVMXMIJQ-WDEREUQCSA-N 0 3 251.326 1.915 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000118963590 390837629 /nfs/dbraw/zinc/83/76/29/390837629.db2.gz PEVYFVMLIAIDRZ-SNVBAGLBSA-N 0 3 292.335 1.079 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000118963590 390837632 /nfs/dbraw/zinc/83/76/32/390837632.db2.gz PEVYFVMLIAIDRZ-SNVBAGLBSA-N 0 3 292.335 1.079 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1 ZINC000168734892 390937504 /nfs/dbraw/zinc/93/75/04/390937504.db2.gz MZHSYOSABAENQF-NSHDSACASA-N 0 3 262.353 1.877 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809203 390904420 /nfs/dbraw/zinc/90/44/20/390904420.db2.gz AHUAIMOBUWIAJV-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809203 390904422 /nfs/dbraw/zinc/90/44/22/390904422.db2.gz AHUAIMOBUWIAJV-GFCCVEGCSA-N 0 3 292.379 1.878 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179568207 391211620 /nfs/dbraw/zinc/21/16/20/391211620.db2.gz TZNUMQBKBRQYPD-CYBMUJFWSA-N 0 3 263.337 1.977 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179568207 391211624 /nfs/dbraw/zinc/21/16/24/391211624.db2.gz TZNUMQBKBRQYPD-CYBMUJFWSA-N 0 3 263.337 1.977 20 10 CDCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CN1CCN(C)CC1 ZINC000183491700 391265551 /nfs/dbraw/zinc/26/55/51/391265551.db2.gz MSVSGAPTXDNGPV-HUUCEWRRSA-N 0 3 291.439 1.926 20 10 CDCDHN CCOc1cccc(C[N@H+](CC)CCCO)c1[O-] ZINC000271191745 391290952 /nfs/dbraw/zinc/29/09/52/391290952.db2.gz MBVWIWRKEWVWLB-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCOc1cccc(C[N@@H+](CC)CCCO)c1[O-] ZINC000271191745 391290956 /nfs/dbraw/zinc/29/09/56/391290956.db2.gz MBVWIWRKEWVWLB-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCOc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000193693961 391344091 /nfs/dbraw/zinc/34/40/91/391344091.db2.gz IVGFXLPJLQSBPU-MFKMUULPSA-N 0 3 278.352 1.405 20 10 CDCDHN COC[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000227717495 392046359 /nfs/dbraw/zinc/04/63/59/392046359.db2.gz MGSVMPQVCOZYGC-GFCCVEGCSA-N 0 3 255.314 1.152 20 10 CDCDHN C[S@](=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296573569 392441339 /nfs/dbraw/zinc/44/13/39/392441339.db2.gz VHCWIHLQSHVPQJ-ZMZPIMSZSA-N 0 3 265.378 1.880 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCCCO)c1[O-] ZINC000193274685 398075302 /nfs/dbraw/zinc/07/53/02/398075302.db2.gz HWBQVHSJQICPHU-UHFFFAOYSA-N 0 3 259.733 1.916 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000038083083 174092964 /nfs/dbraw/zinc/09/29/64/174092964.db2.gz WBJCQHBRPRVNAX-NEPJUHHUSA-N 0 3 283.393 1.786 20 10 CDCDHN C[C@]1(CO)C[N@@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000529669610 281352427 /nfs/dbraw/zinc/35/24/27/281352427.db2.gz ZQXAAYPNKYGLCV-GASCZTMLSA-N 0 3 265.353 1.205 20 10 CDCDHN C[C@]1(CO)C[N@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000529669610 281352430 /nfs/dbraw/zinc/35/24/30/281352430.db2.gz ZQXAAYPNKYGLCV-GASCZTMLSA-N 0 3 265.353 1.205 20 10 CDCDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870746 328075163 /nfs/dbraw/zinc/07/51/63/328075163.db2.gz UIZHOOZHMLLITG-YPMHNXCESA-N 0 3 261.369 1.634 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000271811172 328197707 /nfs/dbraw/zinc/19/77/07/328197707.db2.gz KUBNBDIFRWDNJB-GHMZBOCLSA-N 0 3 281.352 1.924 20 10 CDCDHN C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000280900050 328236849 /nfs/dbraw/zinc/23/68/49/328236849.db2.gz PROYVQQRHZGBOH-SDDRHHMPSA-N 0 3 283.343 1.827 20 10 CDCDHN C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc2c(cc1[O-])CCCC2 ZINC000530221014 333528662 /nfs/dbraw/zinc/52/86/62/333528662.db2.gz BUPCVIMVZIYDAK-DOMZBBRYSA-N 0 3 290.407 1.910 20 10 CDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530222893 333528910 /nfs/dbraw/zinc/52/89/10/333528910.db2.gz IFRSVMLDUNUISP-PWSUYJOCSA-N 0 3 284.787 1.993 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([O-])c1O ZINC000271324427 482834920 /nfs/dbraw/zinc/83/49/20/482834920.db2.gz YBUXKGJDRPLKHW-QWHCGFSZSA-N 0 3 290.363 1.763 20 10 CDCDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c([O-])c1O ZINC000271324427 482834921 /nfs/dbraw/zinc/83/49/21/482834921.db2.gz YBUXKGJDRPLKHW-QWHCGFSZSA-N 0 3 290.363 1.763 20 10 CDCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)COC)cc1 ZINC000281000296 520289807 /nfs/dbraw/zinc/28/98/07/520289807.db2.gz NODALVIACUYEJO-GXTWGEPZSA-N 0 3 266.385 1.801 20 10 CDCDHN CCCOc1ccc(CN2CC[C@H](NC(N)=O)C2)c(O)c1 ZINC000271395375 520352366 /nfs/dbraw/zinc/35/23/66/520352366.db2.gz USGXIQQEMQVBPJ-LBPRGKRZSA-N 0 3 293.367 1.424 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000278750619 521152293 /nfs/dbraw/zinc/15/22/93/521152293.db2.gz WGEZSXWWKBRLRT-IAQYHMDHSA-N 0 3 281.352 1.420 20 10 CDCDHN CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1[O-] ZINC000228099437 521345986 /nfs/dbraw/zinc/34/59/86/521345986.db2.gz GCXZCRCQGYOWSS-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN CCOc1cccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c1[O-] ZINC000228099437 521346000 /nfs/dbraw/zinc/34/60/00/521346000.db2.gz GCXZCRCQGYOWSS-INIZCTEOSA-N 0 3 292.379 1.749 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H]1CCCO1 ZINC000278699474 522361727 /nfs/dbraw/zinc/36/17/27/522361727.db2.gz QQRUZCDWOGJOGQ-UKRRQHHQSA-N 0 3 265.353 1.984 20 10 CDCDHN CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812076 522946338 /nfs/dbraw/zinc/94/63/38/522946338.db2.gz YBACIZUZYCQUQB-ZIAGYGMSSA-N 0 3 275.352 1.900 20 10 CDCDHN CN1CCCc2cc(CNC(=O)[C@]3(F)CCNC3)ccc21 ZINC000366329764 523862197 /nfs/dbraw/zinc/86/21/97/523862197.db2.gz PJOYCUOBPMJQNT-INIZCTEOSA-N 0 3 291.370 1.387 20 10 CDCDHN CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000234832231 523997678 /nfs/dbraw/zinc/99/76/78/523997678.db2.gz SRPKIEACFKHTMZ-JTQLQIEISA-N 0 3 251.282 1.342 20 10 CDCDHN COc1ccc(CN[C@@]2(CCO)CCOC2)cc1C ZINC000278541128 524088333 /nfs/dbraw/zinc/08/83/33/524088333.db2.gz XJWUVEHYEDTPTJ-HNNXBMFYSA-N 0 3 265.353 1.635 20 10 CDCDHN C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000290181931 524749773 /nfs/dbraw/zinc/74/97/73/524749773.db2.gz NVYDONITMMQPHF-GZMMTYOYSA-N 0 3 273.329 1.054 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800737 524762734 /nfs/dbraw/zinc/76/27/34/524762734.db2.gz VMARKXLLIVRCGL-CHWSQXEVSA-N 0 3 293.411 1.297 20 10 CDCDHN C[C@H]1OCC[C@]12CN(Cc1ccccc1O)CCO2 ZINC000279748060 525057800 /nfs/dbraw/zinc/05/78/00/525057800.db2.gz YEWJWVWWIXNRNO-DOMZBBRYSA-N 0 3 263.337 1.772 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000227965270 525349877 /nfs/dbraw/zinc/34/98/77/525349877.db2.gz JYZSUHVGTPFEIC-RISCZKNCSA-N 0 3 251.326 1.330 20 10 CDCDHN COc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1[O-] ZINC000130101744 525933669 /nfs/dbraw/zinc/93/36/69/525933669.db2.gz XXCIHTBOORYGLN-UHFFFAOYSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000280521699 526012962 /nfs/dbraw/zinc/01/29/62/526012962.db2.gz BBZCCXAYUGLUKE-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)CC1CCC1)OCO2 ZINC000279615542 527604923 /nfs/dbraw/zinc/60/49/23/527604923.db2.gz AHUJNLVZAQDWDA-LBPRGKRZSA-N 0 3 279.336 1.762 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280365648 527607034 /nfs/dbraw/zinc/60/70/34/527607034.db2.gz UHGUOKXJYIKVFY-OLZOCXBDSA-N 0 3 251.326 1.127 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000730818589 575013024 /nfs/dbraw/zinc/01/30/24/575013024.db2.gz ZKGDEKGYYNXNPL-LBPRGKRZSA-N 0 3 280.368 1.211 20 10 CDCDHN CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732284381 575086839 /nfs/dbraw/zinc/08/68/39/575086839.db2.gz RQYWWMRYFQVQTO-VIFPVBQESA-N 0 3 256.371 1.914 20 10 CDCDHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732284381 575086840 /nfs/dbraw/zinc/08/68/40/575086840.db2.gz RQYWWMRYFQVQTO-VIFPVBQESA-N 0 3 256.371 1.914 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)COC)c([O-])c1 ZINC000732672460 575093593 /nfs/dbraw/zinc/09/35/93/575093593.db2.gz JJTBIMPAGGNLDE-AWEZNQCLSA-N 0 3 269.341 1.278 20 10 CDCDHN CNC(=O)C1(NCc2ccc3c(c2)CCO3)CCCC1 ZINC000734000030 575151089 /nfs/dbraw/zinc/15/10/89/575151089.db2.gz OKEBRFPSIZDSKW-UHFFFAOYSA-N 0 3 274.364 1.770 20 10 CDCDHN CCOc1ccc(C[NH2+]C2(CO)CCC2)c([O-])c1 ZINC000767929270 576239739 /nfs/dbraw/zinc/23/97/39/576239739.db2.gz MNEFYKZOFRTDSN-UHFFFAOYSA-N 0 3 251.326 1.796 20 10 CDCDHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482021 575208052 /nfs/dbraw/zinc/20/80/52/575208052.db2.gz DJSPVQNEWMPDKU-MNOVXSKESA-N 0 3 292.383 1.247 20 10 CDCDHN CCCN(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773750104 575837604 /nfs/dbraw/zinc/83/76/04/575837604.db2.gz UFKNHSMAXMBRMJ-LLVKDONJSA-N 0 3 280.368 1.487 20 10 CDCDHN COC(=O)C[C@@]1(NCc2cc(C)c(C)cc2O)CCOC1 ZINC000766470299 576105053 /nfs/dbraw/zinc/10/50/53/576105053.db2.gz SYTHLDLZWPMTCW-INIZCTEOSA-N 0 3 293.363 1.821 20 10 CDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000766470299 576105054 /nfs/dbraw/zinc/10/50/54/576105054.db2.gz SYTHLDLZWPMTCW-INIZCTEOSA-N 0 3 293.363 1.821 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c([O-])c1 ZINC000768442402 576283106 /nfs/dbraw/zinc/28/31/06/576283106.db2.gz UTFQFXNGTOAOKH-UHFFFAOYSA-N 0 3 292.379 1.878 20 10 CDCDHN CO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768453623 576285667 /nfs/dbraw/zinc/28/56/67/576285667.db2.gz ZYZZBCKGXMANEI-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN CO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768453623 576285669 /nfs/dbraw/zinc/28/56/69/576285669.db2.gz ZYZZBCKGXMANEI-SMDDNHRTSA-N 0 3 279.336 1.429 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000762786899 576671690 /nfs/dbraw/zinc/67/16/90/576671690.db2.gz LOTUVXLAHPINMI-QMTHXVAHSA-N 0 3 284.787 1.763 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)c([O-])c1 ZINC000763479367 576738606 /nfs/dbraw/zinc/73/86/06/576738606.db2.gz HZOUKAWWQUHROU-HNNXBMFYSA-N 0 3 281.352 1.686 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@]2(OC)CCOC2)c([O-])c1 ZINC000763479372 576738679 /nfs/dbraw/zinc/73/86/79/576738679.db2.gz HZOUKAWWQUHROU-OAHLLOKOSA-N 0 3 281.352 1.686 20 10 CDCDHN CN(C)c1ccc(CN[C@H](CO)CC(F)F)cc1F ZINC000758612587 577121915 /nfs/dbraw/zinc/12/19/15/577121915.db2.gz GHQKQHYECZHCRW-JTQLQIEISA-N 0 3 276.302 1.997 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)N(C)C ZINC000840936235 617608832 /nfs/dbraw/zinc/60/88/32/617608832.db2.gz HEPQKLBFPZXKQL-GFCCVEGCSA-N 0 3 263.385 1.627 20 10 CDCDHN Cc1cc(N)nc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000891967273 617899727 /nfs/dbraw/zinc/89/97/27/617899727.db2.gz HPCJBNAAHXTETN-UHFFFAOYSA-N 0 3 299.378 1.816 20 10 CDCDHN COc1cc(C)cc(CN2CCN(CCO)[C@@H](C)C2)c1O ZINC000894503572 618924149 /nfs/dbraw/zinc/92/41/49/618924149.db2.gz JWLOYKSLTFVHPG-ZDUSSCGKSA-N 0 3 294.395 1.208 20 10 CDCDHN CON(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104199 622046716 /nfs/dbraw/zinc/04/67/16/622046716.db2.gz QRZGKXYQRLYOET-CQSZACIVSA-N 0 3 294.399 1.558 20 10 CDCDHN CN(C)c1ccc([C@@H](CNC(N)=O)N(C)C)cc1 ZINC000899462623 622266813 /nfs/dbraw/zinc/26/68/13/622266813.db2.gz JZSFXIRDMPIVQJ-GFCCVEGCSA-N 0 3 250.346 1.024 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000706846346 1158765405 /nfs/dbraw/zinc/76/54/05/1158765405.db2.gz FSQJOJZDWKSKLU-QMMMGPOBSA-N 0 3 271.158 1.688 20 10 CDCDHN C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140057704 1158540142 /nfs/dbraw/zinc/54/01/42/1158540142.db2.gz KTUYEFSPYVHERQ-KGLIPLIRSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140057704 1158540143 /nfs/dbraw/zinc/54/01/43/1158540143.db2.gz KTUYEFSPYVHERQ-KGLIPLIRSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@@]1(CO)CN(Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140057704 1158540145 /nfs/dbraw/zinc/54/01/45/1158540145.db2.gz KTUYEFSPYVHERQ-KGLIPLIRSA-N 0 3 269.316 1.097 20 10 CDCDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000866457317 1164783909 /nfs/dbraw/zinc/78/39/09/1164783909.db2.gz MECFJIAOLYRQME-SECBINFHSA-N 0 3 290.360 1.121 20 10 CDCDHN CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCC[NH2+][C@H]21 ZINC001576384291 1171409031 /nfs/dbraw/zinc/40/90/31/1171409031.db2.gz PQCDXZGRZDPKSR-ZLKJLUDKSA-N 0 3 290.363 1.604 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000123265800 1175248942 /nfs/dbraw/zinc/24/89/42/1175248942.db2.gz HAYSAZLNKJHSBN-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000123265800 1175248946 /nfs/dbraw/zinc/24/89/46/1175248946.db2.gz HAYSAZLNKJHSBN-GFCCVEGCSA-N 0 3 279.336 1.786 20 10 CDCDHN C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126667415 1175485678 /nfs/dbraw/zinc/48/56/78/1175485678.db2.gz VBRRLBHSPZUYIO-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN COc1ccc(C[NH2+]CC[C@@H]2CCOC2)c([O-])c1 ZINC000230163419 753876883 /nfs/dbraw/zinc/87/68/83/753876883.db2.gz CDGHIYUFGGEAQN-LLVKDONJSA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1cccc(CN(C)CCN2CCCC2=O)c1O ZINC000093320289 753898307 /nfs/dbraw/zinc/89/83/07/753898307.db2.gz FNALZSLNHCZWLO-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN COC[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825158551 754009232 /nfs/dbraw/zinc/00/92/32/754009232.db2.gz PTGWZXVEARELQW-CQSZACIVSA-N 0 3 269.316 1.362 20 10 CDCDHN COC[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825158551 754009241 /nfs/dbraw/zinc/00/92/41/754009241.db2.gz PTGWZXVEARELQW-CQSZACIVSA-N 0 3 269.316 1.362 20 10 CDCDHN C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC000819718081 754059946 /nfs/dbraw/zinc/05/99/46/754059946.db2.gz CUCQPANHBFLAFT-CMPLNLGQSA-N 0 3 276.336 1.264 20 10 CDCDHN C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC000819718081 754059952 /nfs/dbraw/zinc/05/99/52/754059952.db2.gz CUCQPANHBFLAFT-CMPLNLGQSA-N 0 3 276.336 1.264 20 10 CDCDHN COCCN(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389309785 754083610 /nfs/dbraw/zinc/08/36/10/754083610.db2.gz QWZDXYIJGRJEKQ-ZDUSSCGKSA-N 0 3 264.369 1.547 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)CCOC)c([O-])c1 ZINC000798505721 754299316 /nfs/dbraw/zinc/29/93/16/754299316.db2.gz UXLWRHFBGDEUHN-LBPRGKRZSA-N 0 3 269.341 1.278 20 10 CDCDHN Cc1ccc(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000877397461 754363521 /nfs/dbraw/zinc/36/35/21/754363521.db2.gz IAWXIXGWTXTILT-HNNXBMFYSA-N 0 3 263.337 1.692 20 10 CDCDHN COc1cccc(CN(C)CCN2CCCC2=O)c1O ZINC000093320385 754392633 /nfs/dbraw/zinc/39/26/33/754392633.db2.gz ALXLVCIRCVCZHY-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775412491 754394727 /nfs/dbraw/zinc/39/47/27/754394727.db2.gz NJQVOQGATBRNCU-AWEZNQCLSA-N 0 3 291.395 1.207 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884309990 754444457 /nfs/dbraw/zinc/44/44/57/754444457.db2.gz LMSSOIXJSWMNHM-ZANVPECISA-N 0 3 278.352 1.705 20 10 CDCDHN C[NH+]1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000126351999 754599855 /nfs/dbraw/zinc/59/98/55/754599855.db2.gz NAOPYVLELQZIFH-UHFFFAOYSA-N 0 3 264.325 1.169 20 10 CDCDHN CC(C)(C)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000842720445 754686658 /nfs/dbraw/zinc/68/66/58/754686658.db2.gz HSPNHIFBTKDZJS-LBPRGKRZSA-N 0 3 262.353 1.881 20 10 CDCDHN [NH3+][C@]12CCC[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC000857226406 754737033 /nfs/dbraw/zinc/73/70/33/754737033.db2.gz NDFLKVSOGLFNAK-RISCZKNCSA-N 0 3 250.317 1.845 20 10 CDCDHN C[NH2+]C[C@H](C)NCc1cc(Br)ccc1[O-] ZINC000853249657 754805458 /nfs/dbraw/zinc/80/54/58/754805458.db2.gz SPHVMPIFKRSVLB-QMMMGPOBSA-N 0 3 273.174 1.852 20 10 CDCDHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccccc1O ZINC000877255873 754871027 /nfs/dbraw/zinc/87/10/27/754871027.db2.gz JDYDWARBHBYLQA-BXKDBHETSA-N 0 3 250.342 1.943 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000797903120 755077919 /nfs/dbraw/zinc/07/79/19/755077919.db2.gz OQPRAFZXTFSBBB-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN CO[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000825016294 755141982 /nfs/dbraw/zinc/14/19/82/755141982.db2.gz AAEQJLAWZQNWRD-IAGOWNOFSA-N 0 3 290.407 1.868 20 10 CDCDHN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1[O-] ZINC000783517676 755210996 /nfs/dbraw/zinc/21/09/96/755210996.db2.gz HUKHSRXIGOELJD-NSHDSACASA-N 0 3 283.393 1.868 20 10 CDCDHN COc1ccc(O)c(CN2CCN(CCCCO)CC2)c1 ZINC000775689329 755392334 /nfs/dbraw/zinc/39/23/34/755392334.db2.gz DBXHYOXOCALXMG-UHFFFAOYSA-N 0 3 294.395 1.291 20 10 CDCDHN Cc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)cc1C ZINC000158583015 755431206 /nfs/dbraw/zinc/43/12/06/755431206.db2.gz ZYKKJZHEDNCNKG-UHFFFAOYSA-N 0 3 292.423 1.898 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@@]2(C)CCC(=O)N2)cc1F ZINC000858175805 755439014 /nfs/dbraw/zinc/43/90/14/755439014.db2.gz WMXGTOKGLRSSOG-OAHLLOKOSA-N 0 3 297.349 1.789 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCC[NH2+]CC2)c1[O-] ZINC000050153768 755871034 /nfs/dbraw/zinc/87/10/34/755871034.db2.gz LXOMDYDSOROIIF-UHFFFAOYSA-N 0 3 266.316 1.529 20 10 CDCDHN CC[C@H]([NH3+])CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981145 755896605 /nfs/dbraw/zinc/89/66/05/755896605.db2.gz ZMBZMQCLSDIOMD-BDAKNGLRSA-N 0 3 253.302 1.688 20 10 CDCDHN CCOc1ccc(CNCCS(=O)(=O)C2CC2)c(O)c1 ZINC000840964977 756078433 /nfs/dbraw/zinc/07/84/33/756078433.db2.gz VFEGEEKGLWNFOJ-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c([O-])c1 ZINC000840964977 756078439 /nfs/dbraw/zinc/07/84/39/756078439.db2.gz VFEGEEKGLWNFOJ-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893564 756313373 /nfs/dbraw/zinc/31/33/73/756313373.db2.gz GTGVQGKPTTWOAE-NSHDSACASA-N 0 3 256.296 1.821 20 10 CDCDHN COc1ccc(CNC2(C(N)=O)CCOCC2)cc1C ZINC000788435455 756461964 /nfs/dbraw/zinc/46/19/64/756461964.db2.gz ILKMDBMJLMAJJF-UHFFFAOYSA-N 0 3 278.352 1.128 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000877087218 756704624 /nfs/dbraw/zinc/70/46/24/756704624.db2.gz IJYDHNMHBIKQCH-ZDUSSCGKSA-N 0 3 265.353 1.986 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)CC)c([O-])c1 ZINC000788972600 756821346 /nfs/dbraw/zinc/82/13/46/756821346.db2.gz ARZWQDUPOULABS-LLVKDONJSA-N 0 3 280.368 1.747 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000385316832 756848333 /nfs/dbraw/zinc/84/83/33/756848333.db2.gz GPVVXLUGEHPUCD-MFKMUULPSA-N 0 3 251.326 1.915 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(C)C2)cc1F ZINC000858127586 756850658 /nfs/dbraw/zinc/85/06/58/756850658.db2.gz JLIMWTPYADIKBT-LLVKDONJSA-N 0 3 269.339 1.825 20 10 CDCDHN CCN1CCC[C@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000722357188 757207351 /nfs/dbraw/zinc/20/73/51/757207351.db2.gz VSHYIZFWTLGMGA-AWEZNQCLSA-N 0 3 274.364 1.722 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000835075356 757302353 /nfs/dbraw/zinc/30/23/53/757302353.db2.gz WYOZNEARKHWDAX-HOTGVXAUSA-N 0 3 287.407 1.996 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c([O-])c1 ZINC000798501533 757370276 /nfs/dbraw/zinc/37/02/76/757370276.db2.gz LMRJSXLMKRVOOG-LBPRGKRZSA-N 0 3 292.379 1.891 20 10 CDCDHN O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611308 757487150 /nfs/dbraw/zinc/48/71/50/757487150.db2.gz IEBVIJZKJWENDT-LLVKDONJSA-N 0 3 273.329 1.198 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCC(=O)NC1=O ZINC000801599345 757568523 /nfs/dbraw/zinc/56/85/23/757568523.db2.gz KQTDFPHZWRXUCH-CYBMUJFWSA-N 0 3 290.363 1.800 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC(=O)NC1=O ZINC000801599345 757568535 /nfs/dbraw/zinc/56/85/35/757568535.db2.gz KQTDFPHZWRXUCH-CYBMUJFWSA-N 0 3 290.363 1.800 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(F)ccc1[O-] ZINC000704357533 757717096 /nfs/dbraw/zinc/71/70/96/757717096.db2.gz QYRWXTPQPCAGAQ-BXKDBHETSA-N 0 3 266.316 1.803 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(F)ccc1[O-] ZINC000702652938 757807468 /nfs/dbraw/zinc/80/74/68/757807468.db2.gz NRBAWTWARJNHQE-YGRLFVJLSA-N 0 3 268.332 1.249 20 10 CDCDHN CNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000840975612 757847081 /nfs/dbraw/zinc/84/70/81/757847081.db2.gz ZORHKAJFUATVSV-UHFFFAOYSA-N 0 3 263.341 1.286 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000391524135 757852073 /nfs/dbraw/zinc/85/20/73/757852073.db2.gz DYCAOOZNDJALBJ-KOLCDFICSA-N 0 3 266.316 1.803 20 10 CDCDHN COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000114540859 757858970 /nfs/dbraw/zinc/85/89/70/757858970.db2.gz AOQVSVOPBIXELX-CQSZACIVSA-N 0 3 280.368 1.603 20 10 CDCDHN CN1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000704346655 757884669 /nfs/dbraw/zinc/88/46/69/757884669.db2.gz YSIMYHJDFUVKGC-NEPJUHHUSA-N 0 3 260.337 1.590 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1c([O-])cccc1F ZINC000886525004 758347849 /nfs/dbraw/zinc/34/78/49/758347849.db2.gz VOMAWVBXFMFOGA-QWHCGFSZSA-N 0 3 295.402 1.818 20 10 CDCDHN CN1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000704345312 758477965 /nfs/dbraw/zinc/47/79/65/758477965.db2.gz ONSRLISRDGOEOP-CYBMUJFWSA-N 0 3 260.337 1.332 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC2CCC2)c1 ZINC000182464494 758665351 /nfs/dbraw/zinc/66/53/51/758665351.db2.gz WSNAGWZURJBGBT-NSHDSACASA-N 0 3 292.379 1.968 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC001141032007 899342580 /nfs/dbraw/zinc/34/25/80/899342580.db2.gz PXZQZZSNSCGKSM-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC001141032007 899342589 /nfs/dbraw/zinc/34/25/89/899342589.db2.gz PXZQZZSNSCGKSM-JTQLQIEISA-N 0 3 294.351 1.107 20 10 CDCDHN O=C1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CCN1C1CC1 ZINC001172026720 911136317 /nfs/dbraw/zinc/13/63/17/911136317.db2.gz RNECOXGWLUYABX-CQSZACIVSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CCN1C1CC1 ZINC001172026720 911136327 /nfs/dbraw/zinc/13/63/27/911136327.db2.gz RNECOXGWLUYABX-CQSZACIVSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1OCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000827741033 936605578 /nfs/dbraw/zinc/60/55/78/936605578.db2.gz MDFZGWZPCVZCLS-UHFFFAOYSA-N 0 3 294.326 1.948 20 10 CDCDHN C[C@H](NC/C=C\CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509406 927438115 /nfs/dbraw/zinc/43/81/15/927438115.db2.gz PPFATYCEVFCJDJ-ZRMMWKCHSA-N 0 3 294.370 1.861 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970130 930656495 /nfs/dbraw/zinc/65/64/95/930656495.db2.gz MFTOTLTXEMLUPW-DTWKUNHWSA-N 0 3 252.314 1.177 20 10 CDCDHN CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(C)C1 ZINC000843990646 931521784 /nfs/dbraw/zinc/52/17/84/931521784.db2.gz WIFVPZFKSYNSGD-GFCCVEGCSA-N 0 3 292.379 1.963 20 10 CDCDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264622 937916552 /nfs/dbraw/zinc/91/65/52/937916552.db2.gz TWLHJYZSFZWDSX-WOPDTQHZSA-N 0 3 261.369 1.409 20 10 CDCDHN CCOc1cccc(CN2CC3(C2)CCN(C)C3=O)c1O ZINC001203617218 939696782 /nfs/dbraw/zinc/69/67/82/939696782.db2.gz MFFMASRENANIKR-UHFFFAOYSA-N 0 3 290.363 1.455 20 10 CDCDHN COc1ccc(C[NH+]2CCC(n3cnnc3)CC2)c([O-])c1 ZINC001203629005 939697882 /nfs/dbraw/zinc/69/78/82/939697882.db2.gz NJOWEOJYOZVFPV-UHFFFAOYSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])c1 ZINC001203628062 939697937 /nfs/dbraw/zinc/69/79/37/939697937.db2.gz XXEUAPQLEJDAEF-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204275852 939750430 /nfs/dbraw/zinc/75/04/30/939750430.db2.gz CXHOQMNWYUUMKG-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204275852 939750432 /nfs/dbraw/zinc/75/04/32/939750432.db2.gz CXHOQMNWYUUMKG-GWCFXTLKSA-N 0 3 251.326 1.691 20 10 CDCDHN OC[C@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1C(F)(F)F ZINC001204276319 939750571 /nfs/dbraw/zinc/75/05/71/939750571.db2.gz KMRIXTRMOSNVPU-KOLCDFICSA-N 0 3 291.269 1.700 20 10 CDCDHN Oc1cc2c(cc1O)CN(CCCC1OCCO1)CCC2 ZINC001209311321 940459212 /nfs/dbraw/zinc/45/92/12/940459212.db2.gz YRYFDGIFCISZDL-UHFFFAOYSA-N 0 3 293.363 1.999 20 10 CDCDHN CCN1CCN(c2ccc(OC[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC001218434456 941218119 /nfs/dbraw/zinc/21/81/19/941218119.db2.gz JELDPRRGBTXTJP-FZNQNYSPSA-N 0 3 290.407 1.978 20 10 CDCDHN OC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935188 945011507 /nfs/dbraw/zinc/01/15/07/945011507.db2.gz RAOLDPFPELUUKD-SKDRFNHKSA-N 0 3 289.734 1.360 20 10 CDCDHN CNC(=O)C1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238058357 945044580 /nfs/dbraw/zinc/04/45/80/945044580.db2.gz RAXZRDZURRREEB-UHFFFAOYSA-N 0 3 280.343 1.798 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001249172457 949441643 /nfs/dbraw/zinc/44/16/43/949441643.db2.gz MTEOJDWBWCMPJK-OCCSQVGLSA-N 0 3 297.326 1.012 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001249172457 949441658 /nfs/dbraw/zinc/44/16/58/949441658.db2.gz MTEOJDWBWCMPJK-OCCSQVGLSA-N 0 3 297.326 1.012 20 10 CDCDHN C[NH2+][C@@H](C)CCN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663242 994631867 /nfs/dbraw/zinc/63/18/67/994631867.db2.gz CNVREPLMSIMESN-VHSXEESVSA-N 0 3 266.341 1.739 20 10 CDCDHN COCCOCCOCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000274348294 365631346 /nfs/dbraw/zinc/63/13/46/365631346.db2.gz AMPDDGAXJQPODJ-UHFFFAOYSA-N 0 3 297.395 1.860 20 10 CDCDHN CC[C@@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000295021625 199303839 /nfs/dbraw/zinc/30/38/39/199303839.db2.gz CHNKNFUYOPTJEY-JTQLQIEISA-N 0 3 253.298 1.324 20 10 CDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000295021625 199303841 /nfs/dbraw/zinc/30/38/41/199303841.db2.gz CHNKNFUYOPTJEY-JTQLQIEISA-N 0 3 253.298 1.324 20 10 CDCDHN Oc1ccc(F)cc1CN1CCN(C2CC2)CC1 ZINC000179917315 357230990 /nfs/dbraw/zinc/23/09/90/357230990.db2.gz VPRUGPCBQBXEPT-UHFFFAOYSA-N 0 3 250.317 1.811 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CO)C2)cc1OC ZINC000179954131 357233924 /nfs/dbraw/zinc/23/39/24/357233924.db2.gz UANUXTBHTCZMAZ-JTQLQIEISA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CO)C2)cc1OC ZINC000179954131 357233926 /nfs/dbraw/zinc/23/39/26/357233926.db2.gz UANUXTBHTCZMAZ-JTQLQIEISA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](CO)C2)cc1OC ZINC000179954131 357233929 /nfs/dbraw/zinc/23/39/29/357233929.db2.gz UANUXTBHTCZMAZ-JTQLQIEISA-N 0 3 267.325 1.224 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189965076 358046958 /nfs/dbraw/zinc/04/69/58/358046958.db2.gz GOGZXZJZMHLZBR-ZIAGYGMSSA-N 0 3 281.352 1.658 20 10 CDCDHN CCOc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000294006986 358555674 /nfs/dbraw/zinc/55/56/74/358555674.db2.gz TYQPEGWFSBBHLQ-JQWIXIFHSA-N 0 3 299.392 1.456 20 10 CDCDHN COc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000282285955 367813263 /nfs/dbraw/zinc/81/32/63/367813263.db2.gz IQALSCJJMUMXKL-IINYFYTJSA-N 0 3 262.353 1.618 20 10 CDCDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000288194392 369416023 /nfs/dbraw/zinc/41/60/23/369416023.db2.gz CFOJFPXTXGIAFJ-NWDGAFQWSA-N 0 3 290.363 1.797 20 10 CDCDHN COCCC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000159962455 261200189 /nfs/dbraw/zinc/20/01/89/261200189.db2.gz TUEPNJKVMYJPMH-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN COCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000159962455 261200190 /nfs/dbraw/zinc/20/01/90/261200190.db2.gz TUEPNJKVMYJPMH-UHFFFAOYSA-N 0 3 269.341 1.878 20 10 CDCDHN CCOC(=O)N1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000019965225 1172588211 /nfs/dbraw/zinc/58/82/11/1172588211.db2.gz ACKLPLHYIFQBGU-UHFFFAOYSA-N 0 3 294.351 1.808 20 10 CDCDHN CN(C)c1ccc(CN(CC(N)=O)C(C)(C)C)cc1 ZINC000093759095 390904297 /nfs/dbraw/zinc/90/42/97/390904297.db2.gz UKOQSYNRWWSYEV-UHFFFAOYSA-N 0 3 263.385 1.838 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373468298 391120155 /nfs/dbraw/zinc/12/01/55/391120155.db2.gz UXNSLGIAMBHSHE-SNVBAGLBSA-N 0 3 251.301 2.000 20 10 CDCDHN CC[C@H]([NH2+][C@H](CCO)COC)c1ccccc1[O-] ZINC000229556283 391137672 /nfs/dbraw/zinc/13/76/72/391137672.db2.gz LOMSFTVMJRKKBF-YPMHNXCESA-N 0 3 253.342 1.830 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1C ZINC000179573902 391211556 /nfs/dbraw/zinc/21/15/56/391211556.db2.gz XLHWHRMZUGUVFS-OAHLLOKOSA-N 0 3 279.380 1.982 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](OCCO)C2)cc1C ZINC000179573902 391211560 /nfs/dbraw/zinc/21/15/60/391211560.db2.gz XLHWHRMZUGUVFS-OAHLLOKOSA-N 0 3 279.380 1.982 20 10 CDCDHN COC[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000227717501 392046234 /nfs/dbraw/zinc/04/62/34/392046234.db2.gz MGSVMPQVCOZYGC-LBPRGKRZSA-N 0 3 255.314 1.152 20 10 CDCDHN C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395133 287067630 /nfs/dbraw/zinc/06/76/30/287067630.db2.gz QMBKARQQPGIJMK-RISCZKNCSA-N 0 3 261.369 1.682 20 10 CDCDHN C[C@@H](Cn1ccnc1)NCc1ccc2c(c1)CCO2 ZINC000037363571 260094675 /nfs/dbraw/zinc/09/46/75/260094675.db2.gz IRYZOXRVOFPCAY-LBPRGKRZSA-N 0 3 257.337 1.996 20 10 CDCDHN COC(=O)N1CC(N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000181468619 261897936 /nfs/dbraw/zinc/89/79/36/261897936.db2.gz MEORGDDBQMVMBA-NSHDSACASA-N 0 3 277.368 1.854 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177582 262082915 /nfs/dbraw/zinc/08/29/15/262082915.db2.gz ZFWRFAQUJIQDOK-SMDDNHRTSA-N 0 3 251.326 1.503 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000186935625 262117427 /nfs/dbraw/zinc/11/74/27/262117427.db2.gz QWSHYBSFYSWEML-RYUDHWBXSA-N 0 3 292.379 1.948 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000186935625 262117429 /nfs/dbraw/zinc/11/74/29/262117429.db2.gz QWSHYBSFYSWEML-RYUDHWBXSA-N 0 3 292.379 1.948 20 10 CDCDHN CCCN(Cc1cc(C)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000282952322 276255509 /nfs/dbraw/zinc/25/55/09/276255509.db2.gz HIKMFQYNMZKESF-ZDUSSCGKSA-N 0 3 290.363 1.670 20 10 CDCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccn[nH]1 ZINC000296292188 279843848 /nfs/dbraw/zinc/84/38/48/279843848.db2.gz DCRUYHFVPFMIEL-NSHDSACASA-N 0 3 286.335 1.122 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000263774881 327518898 /nfs/dbraw/zinc/51/88/98/327518898.db2.gz UHKJVYCQXWCNFY-CQSZACIVSA-N 0 3 275.396 1.853 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1 ZINC000178712785 329202811 /nfs/dbraw/zinc/20/28/11/329202811.db2.gz GKWVDQVCCSHJSI-MRXNPFEDSA-N 0 3 293.386 1.851 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228064983 333294017 /nfs/dbraw/zinc/29/40/17/333294017.db2.gz VQDLSILAAOKLPF-FIXISWKDSA-N 0 3 281.352 1.591 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)c([O-])c1 ZINC000278520282 520374989 /nfs/dbraw/zinc/37/49/89/520374989.db2.gz RXNDVOCLEJNBIY-MRXNPFEDSA-N 0 3 295.379 1.812 20 10 CDCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236887988 521115373 /nfs/dbraw/zinc/11/53/73/521115373.db2.gz QEKUPIBUGZMWTL-HNNXBMFYSA-N 0 3 291.395 1.267 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278750623 521152424 /nfs/dbraw/zinc/15/24/24/521152424.db2.gz WGEZSXWWKBRLRT-NHYWBVRUSA-N 0 3 281.352 1.420 20 10 CDCDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000278460524 521652875 /nfs/dbraw/zinc/65/28/75/521652875.db2.gz MMQJMICFDIJKDB-XOMBGVMMSA-N 0 3 295.379 1.981 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000293022975 523383231 /nfs/dbraw/zinc/38/32/31/523383231.db2.gz VNAUUKBYCDWQMV-LLVKDONJSA-N 0 3 293.285 1.764 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000293022975 523383237 /nfs/dbraw/zinc/38/32/37/523383237.db2.gz VNAUUKBYCDWQMV-LLVKDONJSA-N 0 3 293.285 1.764 20 10 CDCDHN CNC(=O)CCNCc1ccc(N2CCCCC2)cc1 ZINC000044988818 524068954 /nfs/dbraw/zinc/06/89/54/524068954.db2.gz YJTKLDFHQOFCNH-UHFFFAOYSA-N 0 3 275.396 1.903 20 10 CDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C)CC1 ZINC000274944513 524893854 /nfs/dbraw/zinc/89/38/54/524893854.db2.gz QJPKOQFKQLZLMQ-NSHDSACASA-N 0 3 292.379 1.487 20 10 CDCDHN Cc1cc(O)c(CN2CCc3n[nH]c(=O)cc3C2)cc1C ZINC000274951232 525318420 /nfs/dbraw/zinc/31/84/20/525318420.db2.gz SJKKRNINVUGOPU-UHFFFAOYSA-N 0 3 285.347 1.651 20 10 CDCDHN CCOc1cccc(C[NH+]2CCC(OCCO)CC2)c1[O-] ZINC000769536744 575357685 /nfs/dbraw/zinc/35/76/85/575357685.db2.gz DNMXCTOOHYTVCF-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOC(=O)C1(C[NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000770665543 575483309 /nfs/dbraw/zinc/48/33/09/575483309.db2.gz MHQRSGILQHNZLR-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN COC(=O)C[C@]1([NH2+]Cc2cccc(C)c2[O-])CCCOC1 ZINC000770674794 575484240 /nfs/dbraw/zinc/48/42/40/575484240.db2.gz MKEGMEQYFZGLCR-MRXNPFEDSA-N 0 3 293.363 1.903 20 10 CDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CCC1 ZINC000773766661 575838387 /nfs/dbraw/zinc/83/83/87/575838387.db2.gz CVMPLCYGMNMWIQ-LLVKDONJSA-N 0 3 292.379 1.629 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000765797250 576056909 /nfs/dbraw/zinc/05/69/09/576056909.db2.gz RBYQHCGCDHXZTD-VXGBXAGGSA-N 0 3 278.352 1.405 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000768448095 576284200 /nfs/dbraw/zinc/28/42/00/576284200.db2.gz BKRVGTSVDVJQNL-GXFFZTMASA-N 0 3 265.309 1.039 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000768448095 576284201 /nfs/dbraw/zinc/28/42/01/576284201.db2.gz BKRVGTSVDVJQNL-GXFFZTMASA-N 0 3 265.309 1.039 20 10 CDCDHN OCCCCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769395149 576351517 /nfs/dbraw/zinc/35/15/17/576351517.db2.gz NFZRVKLRGFNQMQ-UHFFFAOYSA-N 0 3 298.814 1.936 20 10 CDCDHN CCOc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC000757927821 577061442 /nfs/dbraw/zinc/06/14/42/577061442.db2.gz LQSJUDATNDNMBQ-AWEZNQCLSA-N 0 3 292.379 1.307 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000759171821 577156840 /nfs/dbraw/zinc/15/68/40/577156840.db2.gz ASDCTSZDTGGGAE-GOEBONIOSA-N 0 3 277.364 1.905 20 10 CDCDHN COc1ccc(CN2CCC(O)CC2)c(O)c1OC ZINC000891491009 617440478 /nfs/dbraw/zinc/44/04/78/617440478.db2.gz JTYCRFQMYTXVCO-UHFFFAOYSA-N 0 3 267.325 1.366 20 10 CDCDHN CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855892 621602810 /nfs/dbraw/zinc/60/28/10/621602810.db2.gz YXJXPCBFSHCJRK-OAHLLOKOSA-N 0 3 291.395 1.219 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)c([O-])c1 ZINC000877090656 630612248 /nfs/dbraw/zinc/61/22/48/630612248.db2.gz WXBLEQULVJAUOU-PIGZYNQJSA-N 0 3 255.383 1.947 20 10 CDCDHN CCOc1cccc(CN2CCN(C)[C@H](C)C2)c1O ZINC000133900406 1175809267 /nfs/dbraw/zinc/80/92/67/1175809267.db2.gz PYXLPQGYAHWMIX-GFCCVEGCSA-N 0 3 264.369 1.927 20 10 CDCDHN Cc1ccc(C[NH2+]CCC(=O)N2CCOCC2)c([O-])c1 ZINC000876953834 758891056 /nfs/dbraw/zinc/89/10/56/758891056.db2.gz CLVZTLGUNQRYFZ-UHFFFAOYSA-N 0 3 278.352 1.039 20 10 CDCDHN CON1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000835076352 759016136 /nfs/dbraw/zinc/01/61/36/759016136.db2.gz OEARRNHIGYJISG-UHFFFAOYSA-N 0 3 268.332 1.989 20 10 CDCDHN CON1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000835076352 759016146 /nfs/dbraw/zinc/01/61/46/759016146.db2.gz OEARRNHIGYJISG-UHFFFAOYSA-N 0 3 268.332 1.989 20 10 CDCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877345219 770057255 /nfs/dbraw/zinc/05/72/55/770057255.db2.gz YGIKGFZSVPCZMH-HIFRSBDPSA-N 0 3 265.353 1.984 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)C2CC2)c([O-])c1 ZINC000809752177 770321415 /nfs/dbraw/zinc/32/14/15/770321415.db2.gz OUZRXDFAEWBTHA-HNNXBMFYSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)C2CC2)c([O-])c1 ZINC000809752177 770321426 /nfs/dbraw/zinc/32/14/26/770321426.db2.gz OUZRXDFAEWBTHA-HNNXBMFYSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@@H](NCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817934622 770680715 /nfs/dbraw/zinc/68/07/15/770680715.db2.gz LHQGEUVFOMKNEK-ZCFIWIBFSA-N 0 3 277.137 1.903 20 10 CDCDHN Cc1ccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1 ZINC000877437051 770884012 /nfs/dbraw/zinc/88/40/12/770884012.db2.gz UEXIIDUHKLCDNO-WCQYABFASA-N 0 3 262.353 1.786 20 10 CDCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000824709325 771467677 /nfs/dbraw/zinc/46/76/77/771467677.db2.gz PADLGEAHQPRRQI-TZMCWYRMSA-N 0 3 251.326 1.533 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCC(=O)NC1=O ZINC000801599346 771522898 /nfs/dbraw/zinc/52/28/98/771522898.db2.gz KQTDFPHZWRXUCH-ZDUSSCGKSA-N 0 3 290.363 1.800 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCC(=O)NC1=O ZINC000801599346 771522907 /nfs/dbraw/zinc/52/29/07/771522907.db2.gz KQTDFPHZWRXUCH-ZDUSSCGKSA-N 0 3 290.363 1.800 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000877558533 771804006 /nfs/dbraw/zinc/80/40/06/771804006.db2.gz JPHCHNRZSFFOGL-AWEZNQCLSA-N 0 3 278.396 1.637 20 10 CDCDHN CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1[O-] ZINC000119123422 771858997 /nfs/dbraw/zinc/85/89/97/771858997.db2.gz VXUUGYCEFAWNFS-ZDUSSCGKSA-N 0 3 262.353 1.959 20 10 CDCDHN O=C1CC2(CN1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000272223523 771869961 /nfs/dbraw/zinc/86/99/61/771869961.db2.gz CIOIPADKGIECNS-UHFFFAOYSA-N 0 3 278.327 1.633 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)c([O-])c1 ZINC000849024834 771892786 /nfs/dbraw/zinc/89/27/86/771892786.db2.gz BLQHQWWKPJXQPV-GFCCVEGCSA-N 0 3 279.340 1.194 20 10 CDCDHN CNC(=O)CCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876773650 772074076 /nfs/dbraw/zinc/07/40/76/772074076.db2.gz DCDGDSPPTLLAEV-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN CNC(=O)CCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876773650 772074083 /nfs/dbraw/zinc/07/40/83/772074083.db2.gz DCDGDSPPTLLAEV-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382568230 772096299 /nfs/dbraw/zinc/09/62/99/772096299.db2.gz OXWZXBQWGHHBON-SMDDNHRTSA-N 0 3 251.326 1.367 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c([O-])c1 ZINC000704337400 772303993 /nfs/dbraw/zinc/30/39/93/772303993.db2.gz DDXCDMKZVXFMGU-DGCLKSJQSA-N 0 3 262.353 1.972 20 10 CDCDHN O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1CC1CC1 ZINC000883396813 772464397 /nfs/dbraw/zinc/46/43/97/772464397.db2.gz XJKWLFVADCGRQW-ZIAGYGMSSA-N 0 3 286.375 1.980 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC(F)F)c1 ZINC000828666693 772566585 /nfs/dbraw/zinc/56/65/85/772566585.db2.gz HNWOQRLJTUOSCX-OIBJUYFYSA-N 0 3 288.294 1.561 20 10 CDCDHN COc1ccc(N(C)CCN(C)C[C@@H]2CCC(=O)O2)cc1 ZINC000852211527 772642143 /nfs/dbraw/zinc/64/21/43/772642143.db2.gz MJUIAYWBINCTRY-HNNXBMFYSA-N 0 3 292.379 1.769 20 10 CDCDHN CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119316 772798152 /nfs/dbraw/zinc/79/81/52/772798152.db2.gz VMDYFFBSLIXCQC-UHFFFAOYSA-N 0 3 275.396 1.271 20 10 CDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CN1 ZINC000841653920 772798226 /nfs/dbraw/zinc/79/82/26/772798226.db2.gz KTBKPURTTPCXBV-CHWSQXEVSA-N 0 3 290.411 1.644 20 10 CDCDHN Cc1cc(CN(C)CCNC(=O)N(C)C)ccc1N(C)C ZINC000815081038 773537630 /nfs/dbraw/zinc/53/76/30/773537630.db2.gz QCHGBLLUVYWWDJ-UHFFFAOYSA-N 0 3 292.427 1.764 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873216001 773560052 /nfs/dbraw/zinc/56/00/52/773560052.db2.gz HUDLZLXJMNQZBH-TXEJJXNPSA-N 0 3 252.745 1.982 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CCc1nnc2ccccn21 ZINC000020128193 773667643 /nfs/dbraw/zinc/66/76/43/773667643.db2.gz PZEJWNWILUPSLK-UHFFFAOYSA-N 0 3 268.320 1.767 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206433137 916654440 /nfs/dbraw/zinc/65/44/40/916654440.db2.gz DFDZCVWRVPLGSF-VHSXEESVSA-N 0 3 288.750 1.925 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140056471 936675231 /nfs/dbraw/zinc/67/52/31/936675231.db2.gz YDTHGEQOGJVHFW-RISCZKNCSA-N 0 3 292.354 1.974 20 10 CDCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140056471 936675232 /nfs/dbraw/zinc/67/52/32/936675232.db2.gz YDTHGEQOGJVHFW-RISCZKNCSA-N 0 3 292.354 1.974 20 10 CDCDHN CCN1CCN(c2ccc(CN3CCC(=O)C3)cc2)CC1 ZINC001140304021 936699653 /nfs/dbraw/zinc/69/96/53/936699653.db2.gz DYOIPIHOHCIQBE-UHFFFAOYSA-N 0 3 287.407 1.603 20 10 CDCDHN Cc1c(O)ccc(CN2CC(N3CCCC3)C2)c1O ZINC001140746451 936748779 /nfs/dbraw/zinc/74/87/79/936748779.db2.gz ZVCMXUHARJJLNY-UHFFFAOYSA-N 0 3 262.353 1.686 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410720 928027870 /nfs/dbraw/zinc/02/78/70/928027870.db2.gz PAZAGBLAPALHMJ-ZFWWWQNUSA-N 0 3 293.363 1.935 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CO1 ZINC001169410720 928027878 /nfs/dbraw/zinc/02/78/78/928027878.db2.gz PAZAGBLAPALHMJ-ZFWWWQNUSA-N 0 3 293.363 1.935 20 10 CDCDHN CC[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)NC ZINC000825316977 931500428 /nfs/dbraw/zinc/50/04/28/931500428.db2.gz ZVOPFJXLQCIOMD-SNVBAGLBSA-N 0 3 282.340 1.024 20 10 CDCDHN COc1cc(CN2CCCC3(CN(C)C3)C2)cc(O)c1O ZINC001275962720 932170693 /nfs/dbraw/zinc/17/06/93/932170693.db2.gz IWAZXTFZJQGVFN-UHFFFAOYSA-N 0 3 292.379 1.634 20 10 CDCDHN O=C(NCC12CC[NH+](CC1)CC2)c1cccc(O)c1[O-] ZINC001148219990 932671503 /nfs/dbraw/zinc/67/15/03/932671503.db2.gz JKINTBJTHLMCOF-UHFFFAOYSA-N 0 3 276.336 1.314 20 10 CDCDHN C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C ZINC001155891755 937685451 /nfs/dbraw/zinc/68/54/51/937685451.db2.gz FHVYXXMJXIMPIC-BXKDBHETSA-N 0 3 289.339 1.671 20 10 CDCDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(OC)cc1O ZINC001122064807 937902620 /nfs/dbraw/zinc/90/26/20/937902620.db2.gz JEZIZDOKMNRPMN-GWCFXTLKSA-N 0 3 280.368 1.781 20 10 CDCDHN COC[C@H]1Cn2nccc2CN(Cc2ccccc2O)C1 ZINC001203556685 939693536 /nfs/dbraw/zinc/69/35/36/939693536.db2.gz TUHBBDCWMRIITR-CYBMUJFWSA-N 0 3 287.363 1.867 20 10 CDCDHN CC[N@H+](CCN1CCOCC1)Cc1ccc(OC)cc1[O-] ZINC001203628876 939698032 /nfs/dbraw/zinc/69/80/32/939698032.db2.gz JCEXTKGFYVQWQV-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN CC[N@@H+](CCN1CCOCC1)Cc1ccc(OC)cc1[O-] ZINC001203628876 939698033 /nfs/dbraw/zinc/69/80/33/939698033.db2.gz JCEXTKGFYVQWQV-UHFFFAOYSA-N 0 3 294.395 1.555 20 10 CDCDHN Oc1ccc(CN2CCN(C3CCC3)CC2)cc1O ZINC001203875293 939710394 /nfs/dbraw/zinc/71/03/94/939710394.db2.gz KJBCDOBWBKNUOQ-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN CN(C)c1ccc(CN2CCC(=O)N3CCC[C@H]3C2)cc1 ZINC001203936833 939715179 /nfs/dbraw/zinc/71/51/79/939715179.db2.gz OYNJGPUWHAECJY-INIZCTEOSA-N 0 3 287.407 1.949 20 10 CDCDHN N[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1F ZINC001204823082 939794874 /nfs/dbraw/zinc/79/48/74/939794874.db2.gz GXITUPPACCWOHM-CVEARBPZSA-N 0 3 293.386 1.129 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206475343 940045456 /nfs/dbraw/zinc/04/54/56/940045456.db2.gz MXNRHZDPJAJVFT-GXFFZTMASA-N 0 3 270.760 1.105 20 10 CDCDHN CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000400252928 940845582 /nfs/dbraw/zinc/84/55/82/940845582.db2.gz OSDPLLRAIWBGSC-VXGBXAGGSA-N 0 3 296.392 1.003 20 10 CDCDHN CC(C)N1CCC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226468136 942010064 /nfs/dbraw/zinc/01/00/64/942010064.db2.gz MSOSHQYWFWAWOA-MRVPVSSYSA-N 0 3 299.323 1.466 20 10 CDCDHN CCC1(O)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485874 943592554 /nfs/dbraw/zinc/59/25/54/943592554.db2.gz OEOXBPIKVWSDOE-UHFFFAOYSA-N 0 3 267.325 1.540 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234978654 943992176 /nfs/dbraw/zinc/99/21/76/943992176.db2.gz AZAUFPKNTZTVPO-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234978664 943992404 /nfs/dbraw/zinc/99/24/04/943992404.db2.gz AZAUFPKNTZTVPO-CQSZACIVSA-N 0 3 281.787 1.183 20 10 CDCDHN Cc1cc(CN2CC[C@@H]([NH3+])C2)c([O-])cc1Br ZINC001236171808 944422520 /nfs/dbraw/zinc/42/25/20/944422520.db2.gz DFTMWXPSDAIGID-SNVBAGLBSA-N 0 3 285.185 1.996 20 10 CDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)ccc1[O-] ZINC001236196618 944426770 /nfs/dbraw/zinc/42/67/70/944426770.db2.gz LTVWQKCMDBGGFR-QWRGUYRKSA-N 0 3 284.743 1.120 20 10 CDCDHN CCOc1ccc(N2CCN(CCCCO)CC2)cc1 ZINC001236433308 944496815 /nfs/dbraw/zinc/49/68/15/944496815.db2.gz HVCIZYZRUXDBGG-UHFFFAOYSA-N 0 3 278.396 1.980 20 10 CDCDHN COc1cc(O)c(CN2CC[C@@H](C(C)=O)C2)cc1OC ZINC001236757262 944560045 /nfs/dbraw/zinc/56/00/45/944560045.db2.gz JKUMGVWDTKDZTG-LLVKDONJSA-N 0 3 279.336 1.820 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001237484308 944811470 /nfs/dbraw/zinc/81/14/70/944811470.db2.gz BESBWUBCAISSLW-GJZGRUSLSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001237484308 944811472 /nfs/dbraw/zinc/81/14/72/944811472.db2.gz BESBWUBCAISSLW-GJZGRUSLSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1cccc(O)c1C[NH+]1CCN(Cc2nnc[n-]2)CC1 ZINC001350329193 966635167 /nfs/dbraw/zinc/63/51/67/966635167.db2.gz AACTUQWRIRVHPC-UHFFFAOYSA-N 0 3 287.367 1.137 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1 ZINC000037751748 356924776 /nfs/dbraw/zinc/92/47/76/356924776.db2.gz FADWSUIZFSOGRS-NSHDSACASA-N 0 3 250.342 1.830 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727962 358149786 /nfs/dbraw/zinc/14/97/86/358149786.db2.gz OCYWQUWFXFRQAV-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727962 358149788 /nfs/dbraw/zinc/14/97/88/358149788.db2.gz OCYWQUWFXFRQAV-YPMHNXCESA-N 0 3 265.353 1.851 20 10 CDCDHN CNCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193129922 358267795 /nfs/dbraw/zinc/26/77/95/358267795.db2.gz XIWXAXBPECKWRH-ZDUSSCGKSA-N 0 3 278.352 1.119 20 10 CDCDHN O=C1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000296785672 199996617 /nfs/dbraw/zinc/99/66/17/199996617.db2.gz KWTUHXGNJCPQPS-AAEUAGOBSA-N 0 3 272.348 1.732 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCNC2=O)c1 ZINC000050394279 359779472 /nfs/dbraw/zinc/77/94/72/359779472.db2.gz XNLKMBWUAPFTLI-CABZTGNLSA-N 0 3 264.325 1.330 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](CC)CCCO)c1 ZINC000271167674 364956245 /nfs/dbraw/zinc/95/62/45/364956245.db2.gz CPQKAWNKJTYIMH-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](CC)CCCO)c1 ZINC000271167674 364956251 /nfs/dbraw/zinc/95/62/51/364956251.db2.gz CPQKAWNKJTYIMH-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000168413603 364984216 /nfs/dbraw/zinc/98/42/16/364984216.db2.gz ZIKOZSZVSGDNLJ-XYZCENFISA-N 0 3 257.355 1.257 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([O-])c1O ZINC000293841313 370820413 /nfs/dbraw/zinc/82/04/13/370820413.db2.gz IZVIEKPWCPHPOT-INIZCTEOSA-N 0 3 290.363 1.574 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c([O-])c1O ZINC000293841313 370820417 /nfs/dbraw/zinc/82/04/17/370820417.db2.gz IZVIEKPWCPHPOT-INIZCTEOSA-N 0 3 290.363 1.574 20 10 CDCDHN CCN(Cc1cc(C)c(C)cc1O)[C@@H]1CCNC1=O ZINC000281821997 367690012 /nfs/dbraw/zinc/69/00/12/367690012.db2.gz RDDTYWWLCSTXSO-CYBMUJFWSA-N 0 3 262.353 1.719 20 10 CDCDHN CCCC[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000159104944 261178138 /nfs/dbraw/zinc/17/81/38/261178138.db2.gz BGDOSMWYGBRWKX-UHFFFAOYSA-N 0 3 267.325 1.715 20 10 CDCDHN CCCC[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000159104944 261178140 /nfs/dbraw/zinc/17/81/40/261178140.db2.gz BGDOSMWYGBRWKX-UHFFFAOYSA-N 0 3 267.325 1.715 20 10 CDCDHN CCN(CC)c1ccc(CN(CCO)CCOC)cc1 ZINC000093006205 390898880 /nfs/dbraw/zinc/89/88/80/390898880.db2.gz KSLHFTCNXIBGON-UHFFFAOYSA-N 0 3 280.412 1.974 20 10 CDCDHN Cc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000281854408 390972154 /nfs/dbraw/zinc/97/21/54/390972154.db2.gz UVLKTZFVMMHALF-KRWDZBQOSA-N 0 3 253.367 1.701 20 10 CDCDHN CC(C)N1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000296840442 391061612 /nfs/dbraw/zinc/06/16/12/391061612.db2.gz MYAKHTLQNMFXHD-CHWSQXEVSA-N 0 3 274.364 1.978 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@](O)(C3CC3)C1)OCO2 ZINC000373321467 391115571 /nfs/dbraw/zinc/11/55/71/391115571.db2.gz SKCVRAKEGMQGTI-OAHLLOKOSA-N 0 3 277.320 1.468 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@](O)(C3CC3)C1)OCO2 ZINC000373321467 391115575 /nfs/dbraw/zinc/11/55/75/391115575.db2.gz SKCVRAKEGMQGTI-OAHLLOKOSA-N 0 3 277.320 1.468 20 10 CDCDHN CC[C@@H]([NH2+][C@H](CCO)COC)c1ccccc1[O-] ZINC000229556274 391137313 /nfs/dbraw/zinc/13/73/13/391137313.db2.gz LOMSFTVMJRKKBF-DGCLKSJQSA-N 0 3 253.342 1.830 20 10 CDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710966 391190703 /nfs/dbraw/zinc/19/07/03/391190703.db2.gz YJZUAYDAUKSXQA-AWEZNQCLSA-N 0 3 261.369 1.640 20 10 CDCDHN CCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183487697 391265599 /nfs/dbraw/zinc/26/55/99/391265599.db2.gz KYTDZUFHIMRVGI-SNVBAGLBSA-N 0 3 257.355 1.478 20 10 CDCDHN CN(C)C(=O)CNCc1ccc(N2CCCC2)cc1 ZINC000037254262 173065631 /nfs/dbraw/zinc/06/56/31/173065631.db2.gz VZONZGXPQSQNHQ-UHFFFAOYSA-N 0 3 261.369 1.465 20 10 CDCDHN COc1cccc(C[NH2+]C2CCN(C)CC2)c1[O-] ZINC000037267143 173077746 /nfs/dbraw/zinc/07/77/46/173077746.db2.gz PAYGKCDBFMPCQH-UHFFFAOYSA-N 0 3 250.342 1.585 20 10 CDCDHN COc1cc(Cl)cc(CN2CC[NH2+]CC2)c1[O-] ZINC000076535248 177034839 /nfs/dbraw/zinc/03/48/39/177034839.db2.gz DIEGNSNXLMVUNY-UHFFFAOYSA-N 0 3 256.733 1.459 20 10 CDCDHN CN1CCCc2cc(CNC(=O)C3(N)CC3)ccc21 ZINC000166473306 261390666 /nfs/dbraw/zinc/39/06/66/261390666.db2.gz ZVGLOAKABASVNI-UHFFFAOYSA-N 0 3 259.353 1.177 20 10 CDCDHN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000293510138 277013073 /nfs/dbraw/zinc/01/30/73/277013073.db2.gz OHIDBQLCQYOTOF-OAHLLOKOSA-N 0 3 275.396 1.771 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000278681550 327183899 /nfs/dbraw/zinc/18/38/99/327183899.db2.gz GJMZUVSBLACKKG-HUBLWGQQSA-N 0 3 265.353 1.891 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000227976286 333292069 /nfs/dbraw/zinc/29/20/69/333292069.db2.gz RVROYRDVFVEVSJ-ABAIWWIYSA-N 0 3 281.352 1.420 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000228056312 333293888 /nfs/dbraw/zinc/29/38/88/333293888.db2.gz GJMZUVSBLACKKG-ZOWXZIJZSA-N 0 3 265.353 1.891 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c([O-])c1C ZINC000530225164 333529014 /nfs/dbraw/zinc/52/90/14/333529014.db2.gz MKKAQYPDPXGSGF-CHWSQXEVSA-N 0 3 264.369 1.648 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](C)OC ZINC000291139659 521296494 /nfs/dbraw/zinc/29/64/94/521296494.db2.gz OXBVXHFQNWSVTD-SNVBAGLBSA-N 0 3 267.325 1.978 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](C)OC ZINC000291139659 521296499 /nfs/dbraw/zinc/29/64/99/521296499.db2.gz OXBVXHFQNWSVTD-SNVBAGLBSA-N 0 3 267.325 1.978 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000228099337 521773220 /nfs/dbraw/zinc/77/32/20/521773220.db2.gz XDSFCNILVPPMJI-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000228099337 521773201 /nfs/dbraw/zinc/77/32/01/521773201.db2.gz XDSFCNILVPPMJI-OAHLLOKOSA-N 0 3 278.352 1.359 20 10 CDCDHN CN(C)c1ccc(CNC(=O)C(C)(C)N)cc1F ZINC000237056405 522185048 /nfs/dbraw/zinc/18/50/48/522185048.db2.gz PGFZMTDKZSPEAF-UHFFFAOYSA-N 0 3 253.321 1.245 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1F ZINC000237084942 522202161 /nfs/dbraw/zinc/20/21/61/522202161.db2.gz GWCXDTTWQVDRGN-CYBMUJFWSA-N 0 3 279.359 1.650 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280306632 525350396 /nfs/dbraw/zinc/35/03/96/525350396.db2.gz NYXFYEVFMVBJKY-OCCSQVGLSA-N 0 3 265.353 1.435 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000280933040 525917657 /nfs/dbraw/zinc/91/76/57/525917657.db2.gz IGJJYXXIYKPYOF-NSHDSACASA-N 0 3 283.393 1.928 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1[O-] ZINC000292856338 525951683 /nfs/dbraw/zinc/95/16/83/525951683.db2.gz UUNOMZRSEPXUAV-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1[O-] ZINC000292856338 525951694 /nfs/dbraw/zinc/95/16/94/525951694.db2.gz UUNOMZRSEPXUAV-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000368975409 526987907 /nfs/dbraw/zinc/98/79/07/526987907.db2.gz RAYGUIVNLZQVMN-SUHUHFCYSA-N 0 3 260.337 1.478 20 10 CDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000368975409 526987909 /nfs/dbraw/zinc/98/79/09/526987909.db2.gz RAYGUIVNLZQVMN-SUHUHFCYSA-N 0 3 260.337 1.478 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)c([O-])c1 ZINC000730817106 575012547 /nfs/dbraw/zinc/01/25/47/575012547.db2.gz HJQYOCSGXVFUNW-CQSZACIVSA-N 0 3 294.395 1.601 20 10 CDCDHN Cn1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1=O ZINC000731843731 575065562 /nfs/dbraw/zinc/06/55/62/575065562.db2.gz UZGHHJMBFOIGBU-UHFFFAOYSA-N 0 3 258.321 1.723 20 10 CDCDHN Cn1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1=O ZINC000731843731 575065564 /nfs/dbraw/zinc/06/55/64/575065564.db2.gz UZGHHJMBFOIGBU-UHFFFAOYSA-N 0 3 258.321 1.723 20 10 CDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000762786896 576671867 /nfs/dbraw/zinc/67/18/67/576671867.db2.gz LOTUVXLAHPINMI-IINYFYTJSA-N 0 3 284.787 1.763 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000756608271 576997106 /nfs/dbraw/zinc/99/71/06/576997106.db2.gz AATSQFSKTIZDRU-XHDPSFHLSA-N 0 3 275.352 1.818 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[O-] ZINC000757926023 577061041 /nfs/dbraw/zinc/06/10/41/577061041.db2.gz JEQGFEZCYSKGFT-CQSZACIVSA-N 0 3 267.325 1.450 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896912454 620302434 /nfs/dbraw/zinc/30/24/34/620302434.db2.gz WKYSVKGXKFRSRI-UHFFFAOYSA-N 0 3 267.300 1.774 20 10 CDCDHN CN(C)c1ccc([C@@H](CNCc2cc[nH]n2)N(C)C)cc1 ZINC000898450958 621741834 /nfs/dbraw/zinc/74/18/34/621741834.db2.gz GAKWOJUXQRGKRP-MRXNPFEDSA-N 0 3 287.411 1.868 20 10 CDCDHN CC(C)CNC(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226605165 1159163600 /nfs/dbraw/zinc/16/36/00/1159163600.db2.gz KAWJYDQGLSAPQE-UHFFFAOYSA-N 0 3 254.305 1.393 20 10 CDCDHN [O-]c1ccc(F)cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229925 1165526712 /nfs/dbraw/zinc/52/67/12/1165526712.db2.gz IYHONMDRUUPOFN-KGLIPLIRSA-N 0 3 250.317 1.906 20 10 CDCDHN CN1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126353263 1175456894 /nfs/dbraw/zinc/45/68/94/1175456894.db2.gz KQDOPNIGLFAFCX-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032216199 773819032 /nfs/dbraw/zinc/81/90/32/773819032.db2.gz ZNLOFZWMOCOAHW-UHFFFAOYSA-N 0 3 289.339 1.531 20 10 CDCDHN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827634717 773824913 /nfs/dbraw/zinc/82/49/13/773824913.db2.gz ZQJAOYMSDWFMAI-ZDUSSCGKSA-N 0 3 274.364 1.837 20 10 CDCDHN O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000827634717 773824915 /nfs/dbraw/zinc/82/49/15/773824915.db2.gz ZQJAOYMSDWFMAI-ZDUSSCGKSA-N 0 3 274.364 1.837 20 10 CDCDHN COCCNC(=O)C1(NCc2ccc(C)cc2O)CC1 ZINC000877586639 773847005 /nfs/dbraw/zinc/84/70/05/773847005.db2.gz MKLCCQOHJUAEJL-UHFFFAOYSA-N 0 3 278.352 1.085 20 10 CDCDHN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846213826 774117753 /nfs/dbraw/zinc/11/77/53/774117753.db2.gz KTRVIHCSPHPOCK-DOMZBBRYSA-N 0 3 265.353 1.974 20 10 CDCDHN COc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O ZINC000228943634 774627662 /nfs/dbraw/zinc/62/76/62/774627662.db2.gz AYHPKPBYYXOVNR-JTQLQIEISA-N 0 3 266.341 1.404 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000069140989 774822495 /nfs/dbraw/zinc/82/24/95/774822495.db2.gz FWHNMOMBLCMEFC-MNOVXSKESA-N 0 3 269.366 1.620 20 10 CDCDHN COc1cc(O)c(CN2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000775985539 774896607 /nfs/dbraw/zinc/89/66/07/774896607.db2.gz MURKAWZMANLBFC-RYUDHWBXSA-N 0 3 294.395 1.934 20 10 CDCDHN CN1C(=O)CC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000922200306 774903740 /nfs/dbraw/zinc/90/37/40/774903740.db2.gz CAAUGJAFZGUTGI-CYBMUJFWSA-N 0 3 288.347 1.249 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@H](C)O)CC1 ZINC000840913869 774950477 /nfs/dbraw/zinc/95/04/77/774950477.db2.gz KFPWBJRPYBFDJU-HNNXBMFYSA-N 0 3 291.439 1.559 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000777222051 775024503 /nfs/dbraw/zinc/02/45/03/775024503.db2.gz PWWCUKOWFLSGSX-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000777222051 775024515 /nfs/dbraw/zinc/02/45/15/775024515.db2.gz PWWCUKOWFLSGSX-CYBMUJFWSA-N 0 3 288.351 1.829 20 10 CDCDHN COCC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315590 775695919 /nfs/dbraw/zinc/69/59/19/775695919.db2.gz UDZZKGDQFNQJBE-AWEZNQCLSA-N 0 3 292.379 1.251 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000877082640 776056378 /nfs/dbraw/zinc/05/63/78/776056378.db2.gz ZWJIXHUDCUTLFC-ZDUSSCGKSA-N 0 3 253.367 1.658 20 10 CDCDHN C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165421536 776099312 /nfs/dbraw/zinc/09/93/12/776099312.db2.gz LWEHSMACLSTHAQ-NSHDSACASA-N 0 3 279.409 1.203 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775137041 776219000 /nfs/dbraw/zinc/21/90/00/776219000.db2.gz QOYDMRARHJJPFB-YPMHNXCESA-N 0 3 265.353 1.830 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834697986 776239590 /nfs/dbraw/zinc/23/95/90/776239590.db2.gz SNWLPWCCYAABQT-UPJWGTAASA-N 0 3 274.364 1.884 20 10 CDCDHN COCC(COC)NCc1ccc(OC)c(C)c1 ZINC000388410820 776368144 /nfs/dbraw/zinc/36/81/44/776368144.db2.gz XQVNJZMGZZMDAC-UHFFFAOYSA-N 0 3 253.342 1.755 20 10 CDCDHN CCN1CCC[C@H](NCc2ccc(N(C)C)cc2)C1=O ZINC000722360884 776848503 /nfs/dbraw/zinc/84/85/03/776848503.db2.gz CJLMQWOKVYNVMX-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN CC(C)CC[C@H](N)C(=O)NCc1ccccc1O ZINC000704516274 777254007 /nfs/dbraw/zinc/25/40/07/777254007.db2.gz PWHUPSCVUQBCOA-LBPRGKRZSA-N 0 3 250.342 1.772 20 10 CDCDHN CS[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840112510 777287434 /nfs/dbraw/zinc/28/74/34/777287434.db2.gz DFGRXBSKPGWQLY-MFKMUULPSA-N 0 3 281.377 1.755 20 10 CDCDHN CS[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840112510 777287440 /nfs/dbraw/zinc/28/74/40/777287440.db2.gz DFGRXBSKPGWQLY-MFKMUULPSA-N 0 3 281.377 1.755 20 10 CDCDHN O=C1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000846205496 777711149 /nfs/dbraw/zinc/71/11/49/777711149.db2.gz HPIDBMVZIILMPG-SMDDNHRTSA-N 0 3 286.375 1.980 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)CN2CCCC2=O)c([O-])c1 ZINC000876949880 778165732 /nfs/dbraw/zinc/16/57/32/778165732.db2.gz BQOLXKCZQTXPJQ-GFCCVEGCSA-N 0 3 262.353 1.801 20 10 CDCDHN C[C@@H]1COCCCN1Cc1cc2c(cc1O)OCO2 ZINC000398948056 778383388 /nfs/dbraw/zinc/38/33/88/778383388.db2.gz QMEIWCQKASNFDZ-SNVBAGLBSA-N 0 3 265.309 1.732 20 10 CDCDHN CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C ZINC000827937438 778402856 /nfs/dbraw/zinc/40/28/56/778402856.db2.gz WTLPLAVKDLSMPN-PWSUYJOCSA-N 0 3 250.342 1.910 20 10 CDCDHN C[N@H+]1CC=C(CNC(=O)c2cc([O-])cs2)CC1 ZINC000776247181 778803667 /nfs/dbraw/zinc/80/36/67/778803667.db2.gz AVBZPYYEJHMGPP-UHFFFAOYSA-N 0 3 252.339 1.445 20 10 CDCDHN C[N@@H+]1CC=C(CNC(=O)c2cc([O-])cs2)CC1 ZINC000776247181 778803668 /nfs/dbraw/zinc/80/36/68/778803668.db2.gz AVBZPYYEJHMGPP-UHFFFAOYSA-N 0 3 252.339 1.445 20 10 CDCDHN COc1ccc(CN[C@@H]2CCCN(C)C2=O)cc1C ZINC000704343258 778811102 /nfs/dbraw/zinc/81/11/02/778811102.db2.gz SWVAXEUDWZGQTQ-CYBMUJFWSA-N 0 3 262.353 1.714 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1[O-] ZINC000866679715 778882020 /nfs/dbraw/zinc/88/20/20/778882020.db2.gz VRWRGSWQYBRHGQ-RYUDHWBXSA-N 0 3 264.300 1.280 20 10 CDCDHN Cc1ccc(C[NH2+]CCOC[C@H]2CCCO2)c([O-])c1 ZINC000877045096 779814283 /nfs/dbraw/zinc/81/42/83/779814283.db2.gz PNIJIUZFVQCZTH-CQSZACIVSA-N 0 3 265.353 1.986 20 10 CDCDHN C[NH2+]C[C@H](C)NCc1cccc(Br)c1[O-] ZINC000853248854 779884376 /nfs/dbraw/zinc/88/43/76/779884376.db2.gz KYEBGYBCXUPKTD-QMMMGPOBSA-N 0 3 273.174 1.852 20 10 CDCDHN CNC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000853248854 779884385 /nfs/dbraw/zinc/88/43/85/779884385.db2.gz KYEBGYBCXUPKTD-QMMMGPOBSA-N 0 3 273.174 1.852 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173741310 912773635 /nfs/dbraw/zinc/77/36/35/912773635.db2.gz WLQFBCKWHZXANJ-NEPJUHHUSA-N 0 3 289.339 1.358 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769537 912833557 /nfs/dbraw/zinc/83/35/57/912833557.db2.gz NBGYLACBUMDKLX-UONOGXRCSA-N 0 3 287.367 1.994 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769537 912833575 /nfs/dbraw/zinc/83/35/75/912833575.db2.gz NBGYLACBUMDKLX-UONOGXRCSA-N 0 3 287.367 1.994 20 10 CDCDHN C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001270069535 904324307 /nfs/dbraw/zinc/32/43/07/904324307.db2.gz MZFVDKLHOCAFKF-FGWVZKOKSA-N 0 3 292.335 1.158 20 10 CDCDHN C[C@@H]1COCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140892 936818763 /nfs/dbraw/zinc/81/87/63/936818763.db2.gz RCGJXUFYNIBBBG-ZDUSSCGKSA-N 0 3 276.380 1.984 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001169624818 928249146 /nfs/dbraw/zinc/24/91/46/928249146.db2.gz MHGRADUXPSQMPU-AWEZNQCLSA-N 0 3 262.353 1.835 20 10 CDCDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001169624818 928249159 /nfs/dbraw/zinc/24/91/59/928249159.db2.gz MHGRADUXPSQMPU-AWEZNQCLSA-N 0 3 262.353 1.835 20 10 CDCDHN OCC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001118631524 937649127 /nfs/dbraw/zinc/64/91/27/937649127.db2.gz WPIOPNAPKVKNJY-UHFFFAOYSA-N 0 3 290.407 1.606 20 10 CDCDHN COc1ccc(C[N@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC001203621027 939697111 /nfs/dbraw/zinc/69/71/11/939697111.db2.gz OJALJRSQLZHVLR-UHFFFAOYSA-N 0 3 277.324 1.767 20 10 CDCDHN COc1ccc(C[N@@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC001203621027 939697113 /nfs/dbraw/zinc/69/71/13/939697113.db2.gz OJALJRSQLZHVLR-UHFFFAOYSA-N 0 3 277.324 1.767 20 10 CDCDHN OC[C@H]1CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875901 939710361 /nfs/dbraw/zinc/71/03/61/939710361.db2.gz YICXSNULWSANGG-NSHDSACASA-N 0 3 251.326 1.692 20 10 CDCDHN CN(C)C(=O)[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882532 939711394 /nfs/dbraw/zinc/71/13/94/939711394.db2.gz KOCQYAAXCWQOID-LBPRGKRZSA-N 0 3 278.352 1.398 20 10 CDCDHN Cc1nc(CC[N@@H+](C)Cc2ccc(O)cc2[O-])no1 ZINC001204276535 939751294 /nfs/dbraw/zinc/75/12/94/939751294.db2.gz MFBKGMIHNDSFJU-UHFFFAOYSA-N 0 3 263.297 1.464 20 10 CDCDHN Cc1nc(CC[N@H+](C)Cc2ccc(O)cc2[O-])no1 ZINC001204276535 939751295 /nfs/dbraw/zinc/75/12/95/939751295.db2.gz MFBKGMIHNDSFJU-UHFFFAOYSA-N 0 3 263.297 1.464 20 10 CDCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205369762 939886730 /nfs/dbraw/zinc/88/67/30/939886730.db2.gz HAHYVDZWGBALSH-TZMCWYRMSA-N 0 3 298.814 1.847 20 10 CDCDHN [NH3+][C@H]1CCN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1F ZINC001206182628 939992798 /nfs/dbraw/zinc/99/27/98/939992798.db2.gz CKQGAECQPUXIJK-CABZTGNLSA-N 0 3 274.286 1.932 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)cc1 ZINC001276957979 941730603 /nfs/dbraw/zinc/73/06/03/941730603.db2.gz APGIUPMPGJHBQO-MIFYACCESA-N 0 3 287.407 1.696 20 10 CDCDHN COC(=O)C1(O)CCN(Cc2cccc(C)c2O)CC1 ZINC001231595333 942938220 /nfs/dbraw/zinc/93/82/20/942938220.db2.gz WZORDLUOFKFCNW-UHFFFAOYSA-N 0 3 279.336 1.201 20 10 CDCDHN Cc1cccc(CN2CC(N3CCN(C)CC3)C2)c1O ZINC001231594750 942939235 /nfs/dbraw/zinc/93/92/35/942939235.db2.gz OTJPWVKSPHQRPY-UHFFFAOYSA-N 0 3 275.396 1.132 20 10 CDCDHN COc1cc(O)c(CN2CC(C)(N(C)C)C2)cc1OC ZINC001236752803 944558213 /nfs/dbraw/zinc/55/82/13/944558213.db2.gz VIYMQEDAYPEQOA-UHFFFAOYSA-N 0 3 280.368 1.545 20 10 CDCDHN CCc1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001236794233 944570556 /nfs/dbraw/zinc/57/05/56/944570556.db2.gz JYHLCCWTBWZNQE-OAHLLOKOSA-N 0 3 290.407 1.860 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237484314 944810778 /nfs/dbraw/zinc/81/07/78/944810778.db2.gz BHPBCZDJYOLVBQ-DUVNUKRYSA-N 0 3 277.364 1.672 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001237494458 944818246 /nfs/dbraw/zinc/81/82/46/944818246.db2.gz JBYSTKKXFPTZHE-UHFFFAOYSA-N 0 3 274.364 1.945 20 10 CDCDHN C[N@@H+]1CCC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001254507548 947468720 /nfs/dbraw/zinc/46/87/20/947468720.db2.gz MMLOTZSJCPMZLG-GFCCVEGCSA-N 0 3 278.352 1.354 20 10 CDCDHN C[N@H+]1CCC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001254507548 947468725 /nfs/dbraw/zinc/46/87/25/947468725.db2.gz MMLOTZSJCPMZLG-GFCCVEGCSA-N 0 3 278.352 1.354 20 10 CDCDHN CCOC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001258481316 948874388 /nfs/dbraw/zinc/87/43/88/948874388.db2.gz JOSLAVNVBNRJII-SNVBAGLBSA-N 0 3 267.325 1.919 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001249173704 949444126 /nfs/dbraw/zinc/44/41/26/949444126.db2.gz VKFQXBGHWXNKKK-BXUZGUMPSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001249173704 949444144 /nfs/dbraw/zinc/44/41/44/949444144.db2.gz VKFQXBGHWXNKKK-BXUZGUMPSA-N 0 3 293.363 1.310 20 10 CDCDHN CCOc1ccc(N2CCN(CCC(=O)NC)CC2)cc1 ZINC001319846394 958752318 /nfs/dbraw/zinc/75/23/18/958752318.db2.gz AYHPRCMJSZSCFF-UHFFFAOYSA-N 0 3 291.395 1.343 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccccc1[O-] ZINC001320137182 958964712 /nfs/dbraw/zinc/96/47/12/958964712.db2.gz LMTOSMVLHCIQRZ-CYBMUJFWSA-N 0 3 278.396 1.747 20 10 CDCDHN CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001344820653 964444885 /nfs/dbraw/zinc/44/48/85/964444885.db2.gz BHDSMHSUNNPGQF-SKDRFNHKSA-N 0 3 266.316 1.536 20 10 CDCDHN CN1CCN(c2ccc(CNC/C=C\CO)cc2F)CC1 ZINC001347357693 965486561 /nfs/dbraw/zinc/48/65/61/965486561.db2.gz SLCSHLHDMGBXSI-IHWYPQMZSA-N 0 3 293.386 1.216 20 10 CDCDHN C[C@H](NC1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294878023 363468301 /nfs/dbraw/zinc/46/83/01/363468301.db2.gz XEHNVYSSHCHYKI-LBPRGKRZSA-N 0 3 275.396 1.852 20 10 CDCDHN Cc1cccc(C[NH2+]CCCN2CCOCC2)c1[O-] ZINC000083478843 357100338 /nfs/dbraw/zinc/10/03/38/357100338.db2.gz DPDKKWUEEGPUQM-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@](C)(O)C2)cc1OC ZINC000180377337 357265733 /nfs/dbraw/zinc/26/57/33/357265733.db2.gz SGTAFGLHBGYORT-OAHLLOKOSA-N 0 3 281.352 1.756 20 10 CDCDHN Cc1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1O ZINC000180528572 357274713 /nfs/dbraw/zinc/27/47/13/357274713.db2.gz VOCDGVMXOJOAHO-UHFFFAOYSA-N 0 3 285.347 1.353 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000188046419 357838761 /nfs/dbraw/zinc/83/87/61/357838761.db2.gz MDABJXNPXKNPQK-SECBINFHSA-N 0 3 254.305 1.488 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(O)CCOCC1 ZINC000188841670 357943191 /nfs/dbraw/zinc/94/31/91/357943191.db2.gz SEIPVQJWPSOHMX-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(O)CCOCC1 ZINC000188841670 357943195 /nfs/dbraw/zinc/94/31/95/357943195.db2.gz SEIPVQJWPSOHMX-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615452 359705174 /nfs/dbraw/zinc/70/51/74/359705174.db2.gz JLXAOZBMJIHEPA-HUTHGQBESA-N 0 3 259.346 1.778 20 10 CDCDHN C[NH+](C)CC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000281647970 363824816 /nfs/dbraw/zinc/82/48/16/363824816.db2.gz HXRSYVCEFPSGIV-UHFFFAOYSA-N 0 3 264.325 1.312 20 10 CDCDHN CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000269046864 364129324 /nfs/dbraw/zinc/12/93/24/364129324.db2.gz NSJPBCXYLAQZGM-ZDUSSCGKSA-N 0 3 253.342 1.610 20 10 CDCDHN CC(C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000269046864 364129326 /nfs/dbraw/zinc/12/93/26/364129326.db2.gz NSJPBCXYLAQZGM-ZDUSSCGKSA-N 0 3 253.342 1.610 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000168867893 365008736 /nfs/dbraw/zinc/00/87/36/365008736.db2.gz CRCXFTRKWGOHBI-AUSHCKSDSA-N 0 3 271.382 1.818 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000272830986 365414726 /nfs/dbraw/zinc/41/47/26/365414726.db2.gz HWTBDOWGEPSCBE-STQMWFEESA-N 0 3 264.369 1.764 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000273382193 365490857 /nfs/dbraw/zinc/49/08/57/365490857.db2.gz IOAAXIHIHLHZJW-YPMHNXCESA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000273382193 365490859 /nfs/dbraw/zinc/49/08/59/365490859.db2.gz IOAAXIHIHLHZJW-YPMHNXCESA-N 0 3 282.359 1.639 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1 ZINC000281500547 367647605 /nfs/dbraw/zinc/64/76/05/367647605.db2.gz WSDCSAZBZXSTMJ-LBPRGKRZSA-N 0 3 292.379 1.891 20 10 CDCDHN COCC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC000282247314 367794166 /nfs/dbraw/zinc/79/41/66/367794166.db2.gz OJUWEFRXHHFKEG-CYBMUJFWSA-N 0 3 253.342 1.491 20 10 CDCDHN Cc1cc(CN2CCc3n[nH]c(=O)cc3C2)ccc1N(C)C ZINC000294502490 371066867 /nfs/dbraw/zinc/06/68/67/371066867.db2.gz IHOCTSUZNDHIGA-UHFFFAOYSA-N 0 3 298.390 1.703 20 10 CDCDHN CCC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296770558 371909283 /nfs/dbraw/zinc/90/92/83/371909283.db2.gz KMVQVXWZVJCIKM-STQMWFEESA-N 0 3 274.364 1.980 20 10 CDCDHN O=S1(=O)CCC[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000289941627 378355556 /nfs/dbraw/zinc/35/55/56/378355556.db2.gz BDYIIGKOESCJJB-CYBMUJFWSA-N 0 3 295.404 1.536 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000376040733 391212100 /nfs/dbraw/zinc/21/21/00/391212100.db2.gz BZAPAWFNZDJITL-CQSZACIVSA-N 0 3 251.301 1.878 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000376040733 391212101 /nfs/dbraw/zinc/21/21/01/391212101.db2.gz BZAPAWFNZDJITL-CQSZACIVSA-N 0 3 251.301 1.878 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296584766 397638179 /nfs/dbraw/zinc/63/81/79/397638179.db2.gz UPXCAMUMQGCSLQ-NEPJUHHUSA-N 0 3 298.408 1.297 20 10 CDCDHN COc1cc(O)c(CN2CCC(C)(O)CC2)cc1OC ZINC000179447246 397892958 /nfs/dbraw/zinc/89/29/58/397892958.db2.gz ZBEWGIOOJFQKMS-UHFFFAOYSA-N 0 3 281.352 1.756 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@@H](O)COC)cc1F ZINC000152278053 261062773 /nfs/dbraw/zinc/06/27/73/261062773.db2.gz XHGPCYULMPUXAZ-CYBMUJFWSA-N 0 3 284.375 1.769 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)C[C@H]2CCOC2)cc1OC ZINC000160362965 261212085 /nfs/dbraw/zinc/21/20/85/261212085.db2.gz YCMDDCPVMURFIC-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)cc1OC ZINC000160362965 261212088 /nfs/dbraw/zinc/21/20/88/261212088.db2.gz YCMDDCPVMURFIC-LLVKDONJSA-N 0 3 281.352 1.878 20 10 CDCDHN CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1[O-] ZINC000183330107 261484455 /nfs/dbraw/zinc/48/44/55/261484455.db2.gz GVVINHOHRMFQBU-CYBMUJFWSA-N 0 3 262.353 1.959 20 10 CDCDHN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[O-] ZINC000183460819 261492341 /nfs/dbraw/zinc/49/23/41/261492341.db2.gz YVLSSQDPXIGBMH-LLVKDONJSA-N 0 3 250.342 1.911 20 10 CDCDHN CCN(CCO)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000184542326 262022823 /nfs/dbraw/zinc/02/28/23/262022823.db2.gz IWCDXBUGMGQWDZ-UHFFFAOYSA-N 0 3 252.358 1.104 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000185781155 262070833 /nfs/dbraw/zinc/07/08/33/262070833.db2.gz UFRWNLINKPPRSO-LBPRGKRZSA-N 0 3 264.325 1.713 20 10 CDCDHN C[C@@H]([NH2+]CCCOCCO)c1cc(F)ccc1[O-] ZINC000186514608 262096501 /nfs/dbraw/zinc/09/65/01/262096501.db2.gz HPQLQOURCLZFLW-SNVBAGLBSA-N 0 3 257.305 1.581 20 10 CDCDHN Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)c([O-])c1O ZINC000272835965 263009291 /nfs/dbraw/zinc/00/92/91/263009291.db2.gz QPVUGHAYECMOOF-VIFPVBQESA-N 0 3 252.314 1.086 20 10 CDCDHN COc1cccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368971715 267215453 /nfs/dbraw/zinc/21/54/53/267215453.db2.gz CUWPPFYGUKTQIS-ZKYQVNSYSA-N 0 3 290.363 1.487 20 10 CDCDHN CCCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000278575966 520368213 /nfs/dbraw/zinc/36/82/13/520368213.db2.gz FEAJQRIOXLPWMG-MLGOLLRUSA-N 0 3 295.379 1.811 20 10 CDCDHN COC[C@@H](CO)N[C@H](C)c1cc(OC)ccc1O ZINC000234898764 522305624 /nfs/dbraw/zinc/30/56/24/522305624.db2.gz SBQGNBPUBUKLFP-NXEZZACHSA-N 0 3 255.314 1.059 20 10 CDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000234898764 522305633 /nfs/dbraw/zinc/30/56/33/522305633.db2.gz SBQGNBPUBUKLFP-NXEZZACHSA-N 0 3 255.314 1.059 20 10 CDCDHN CC[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855890 522325736 /nfs/dbraw/zinc/32/57/36/522325736.db2.gz YXJXPCBFSHCJRK-HNNXBMFYSA-N 0 3 291.395 1.219 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000234915183 522537054 /nfs/dbraw/zinc/53/70/54/522537054.db2.gz IYPWABMOQZDZKB-CQSZACIVSA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000234915183 522537060 /nfs/dbraw/zinc/53/70/60/522537060.db2.gz IYPWABMOQZDZKB-CQSZACIVSA-N 0 3 298.770 1.752 20 10 CDCDHN COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000234786862 522684975 /nfs/dbraw/zinc/68/49/75/522684975.db2.gz JZWSCKHUYUQJOK-JTQLQIEISA-N 0 3 275.732 1.151 20 10 CDCDHN COCCO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000275627310 524032985 /nfs/dbraw/zinc/03/29/85/524032985.db2.gz SSRUISICRREGPW-GFCCVEGCSA-N 0 3 295.335 1.358 20 10 CDCDHN Cc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000290215375 524437395 /nfs/dbraw/zinc/43/73/95/524437395.db2.gz QZRGHWBJCBYLGL-CMPLNLGQSA-N 0 3 269.366 1.223 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000281010306 524753613 /nfs/dbraw/zinc/75/36/13/524753613.db2.gz YMEILJIZRUDXHW-YPMHNXCESA-N 0 3 281.352 1.135 20 10 CDCDHN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000228094872 525057192 /nfs/dbraw/zinc/05/71/92/525057192.db2.gz KLRHJCUOFNMSKH-RNCFNFMXSA-N 0 3 255.289 1.161 20 10 CDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000094617126 525588177 /nfs/dbraw/zinc/58/81/77/525588177.db2.gz IUXPEGPWHQWBRY-BDAKNGLRSA-N 0 3 254.305 1.659 20 10 CDCDHN NCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370777704 527157127 /nfs/dbraw/zinc/15/71/27/527157127.db2.gz ALEXPCSGHLIQKJ-UHFFFAOYSA-N 0 3 299.321 1.332 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=S)NCCN(C)C)c1 ZINC000728792664 574647679 /nfs/dbraw/zinc/64/76/79/574647679.db2.gz MIZRUUAEXUUVQD-JTQLQIEISA-N 0 3 297.424 1.488 20 10 CDCDHN C[C@H](NC(=S)NCCN(C)C)c1ccc(N(C)C)cc1 ZINC000774252914 575191462 /nfs/dbraw/zinc/19/14/62/575191462.db2.gz XPJGUGQARBNDNT-LBPRGKRZSA-N 0 3 294.468 1.839 20 10 CDCDHN CC(C)(CO)N1CCN(Cc2ccccc2O)CC1 ZINC000770511079 575458411 /nfs/dbraw/zinc/45/84/11/575458411.db2.gz YXTDHVSIHMTQAW-UHFFFAOYSA-N 0 3 264.369 1.281 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770751726 575495238 /nfs/dbraw/zinc/49/52/38/575495238.db2.gz AOYONOIIEPLJEZ-LRDDRELGSA-N 0 3 293.363 1.829 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000765797232 576056967 /nfs/dbraw/zinc/05/69/67/576056967.db2.gz QXHOGQAVJAMONY-GXTWGEPZSA-N 0 3 293.386 1.896 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCOCC1 ZINC000768464957 576287332 /nfs/dbraw/zinc/28/73/32/576287332.db2.gz GPRINGYOHKNNOG-HNNXBMFYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCOCC1 ZINC000768464957 576287334 /nfs/dbraw/zinc/28/73/34/576287334.db2.gz GPRINGYOHKNNOG-HNNXBMFYSA-N 0 3 293.363 1.676 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768842892 576312361 /nfs/dbraw/zinc/31/23/61/576312361.db2.gz ZBDUAKMZBYWRLS-LBPRGKRZSA-N 0 3 291.347 1.935 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+](CCCO)C1CC1)OCO2 ZINC000769404780 576352156 /nfs/dbraw/zinc/35/21/56/576352156.db2.gz PQDJHSIEVKRJSV-UHFFFAOYSA-N 0 3 265.309 1.468 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+](CCCO)C1CC1)OCO2 ZINC000769404780 576352159 /nfs/dbraw/zinc/35/21/59/576352159.db2.gz PQDJHSIEVKRJSV-UHFFFAOYSA-N 0 3 265.309 1.468 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000762787614 576672272 /nfs/dbraw/zinc/67/22/72/576672272.db2.gz MXKLMPVKGIOCSM-RSAASHCRSA-N 0 3 294.370 1.736 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756524599 576993785 /nfs/dbraw/zinc/99/37/85/576993785.db2.gz HOPRLCIFOBKOBH-KKZNHRDASA-N 0 3 278.327 1.900 20 10 CDCDHN COc1c([O-])c(CN[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000841062753 621612047 /nfs/dbraw/zinc/61/20/47/621612047.db2.gz DHGKETSQVKEZAX-MWLCHTKSSA-N 0 3 295.339 1.539 20 10 CDCDHN COc1ccc(O)c(CN2CCN(C)[C@H](C)C2)c1 ZINC000133893616 1175809039 /nfs/dbraw/zinc/80/90/39/1175809039.db2.gz GZIUNBGEWFJWDM-LLVKDONJSA-N 0 3 250.342 1.537 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@H](CO)C2)cc1F ZINC000923005898 782276561 /nfs/dbraw/zinc/27/65/61/782276561.db2.gz XBCVECIZYHJYCZ-HOMQSWHASA-N 0 3 270.323 1.891 20 10 CDCDHN CCc1cccc(CN2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000848903517 782498640 /nfs/dbraw/zinc/49/86/40/782498640.db2.gz VDADJXZTWUVVJZ-ZDUSSCGKSA-N 0 3 298.408 1.208 20 10 CDCDHN COc1ccc(O)c(CNCc2cn(C)nc2C)c1 ZINC000123645734 1165304984 /nfs/dbraw/zinc/30/49/84/1165304984.db2.gz FZJKOUAERNXEQU-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN CC(=O)NCCN(C)Cc1ccc(N(C)C)cc1C ZINC000843427444 782689174 /nfs/dbraw/zinc/68/91/74/782689174.db2.gz AZVHUMNIWKABJJ-UHFFFAOYSA-N 0 3 263.385 1.629 20 10 CDCDHN CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CC[NH2+]C1 ZINC000886856083 782738302 /nfs/dbraw/zinc/73/83/02/782738302.db2.gz FPRXIFFBBMJFCG-ZDUSSCGKSA-N 0 3 280.343 1.918 20 10 CDCDHN COC[C@]1(CO)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877573347 782774345 /nfs/dbraw/zinc/77/43/45/782774345.db2.gz ORCAEBRRTKFQLH-OAHLLOKOSA-N 0 3 265.353 1.531 20 10 CDCDHN COC[C@]1(CO)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877573347 782774356 /nfs/dbraw/zinc/77/43/56/782774356.db2.gz ORCAEBRRTKFQLH-OAHLLOKOSA-N 0 3 265.353 1.531 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817952615 783025569 /nfs/dbraw/zinc/02/55/69/783025569.db2.gz RWIMDHOHGIXWFU-CMPLNLGQSA-N 0 3 278.352 1.581 20 10 CDCDHN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CN)C2CC2)c1[O-] ZINC000843355060 783041962 /nfs/dbraw/zinc/04/19/62/783041962.db2.gz BCNIFGJKIQZNBR-HNNXBMFYSA-N 0 3 280.343 1.951 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)c([O-])c1 ZINC000877559601 1166057620 /nfs/dbraw/zinc/05/76/20/1166057620.db2.gz POXQUPOJGHYBGU-HNNXBMFYSA-N 0 3 278.396 1.637 20 10 CDCDHN CCOCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649568 780287675 /nfs/dbraw/zinc/28/76/75/780287675.db2.gz WHIBZYLZOQGGRX-NEPJUHHUSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000921531950 780288857 /nfs/dbraw/zinc/28/88/57/780288857.db2.gz GUDBBEBBWOGJRA-LBPRGKRZSA-N 0 3 280.368 1.211 20 10 CDCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1CC1CC1 ZINC000883404268 780352211 /nfs/dbraw/zinc/35/22/11/780352211.db2.gz VHTZUWWKGXWPNB-OAHLLOKOSA-N 0 3 286.375 1.722 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(CO)(OC)CC2)c([O-])c1 ZINC000775204774 780843735 /nfs/dbraw/zinc/84/37/35/780843735.db2.gz QYKJSTPNRKPSHP-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CC[C@@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182406439 780955915 /nfs/dbraw/zinc/95/59/15/780955915.db2.gz GHZVKKBBGKSHFN-GHMZBOCLSA-N 0 3 280.368 1.966 20 10 CDCDHN CCOc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)c(O)c1 ZINC000776522006 781491861 /nfs/dbraw/zinc/49/18/61/781491861.db2.gz YFCAVZXPEKNSOY-JEOXALJRSA-N 0 3 285.409 1.990 20 10 CDCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563763 781847244 /nfs/dbraw/zinc/84/72/44/781847244.db2.gz PHGNIZAYXKGNCA-HIFRSBDPSA-N 0 3 265.353 1.842 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000724872520 783505201 /nfs/dbraw/zinc/50/52/01/783505201.db2.gz MKAJCEIFAKRLHJ-YRGRVCCFSA-N 0 3 263.337 1.773 20 10 CDCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235995609 914515180 /nfs/dbraw/zinc/51/51/80/914515180.db2.gz VKGAVGHBMSSVBK-YMTOWFKASA-N 0 3 282.771 1.977 20 10 CDCDHN COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840103989 905880828 /nfs/dbraw/zinc/88/08/28/905880828.db2.gz JBGBAZJXCSLYTJ-HOCLYGCPSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840103989 905880843 /nfs/dbraw/zinc/88/08/43/905880843.db2.gz JBGBAZJXCSLYTJ-HOCLYGCPSA-N 0 3 293.363 1.676 20 10 CDCDHN O=C1C[C@@H](NCc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172010218 911094546 /nfs/dbraw/zinc/09/45/46/911094546.db2.gz WZNPCFKIXHKHCD-NSHDSACASA-N 0 3 276.336 1.341 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236807294 916527899 /nfs/dbraw/zinc/52/78/99/916527899.db2.gz FOVONLAVRVTGGM-SMDDNHRTSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236807294 916527907 /nfs/dbraw/zinc/52/79/07/916527907.db2.gz FOVONLAVRVTGGM-SMDDNHRTSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(CN(C)CCC2OCCO2)cc(O)c1O ZINC001204346793 917972763 /nfs/dbraw/zinc/97/27/63/917972763.db2.gz ZHADEVPTEAILJS-UHFFFAOYSA-N 0 3 283.324 1.301 20 10 CDCDHN CC(C)N(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930659 936615249 /nfs/dbraw/zinc/61/52/49/936615249.db2.gz OONDMYIRISXGGG-LLVKDONJSA-N 0 3 250.342 1.910 20 10 CDCDHN COc1cc(CN2CCCC(=O)C2)cc(CN(C)C)c1O ZINC001139258065 936611721 /nfs/dbraw/zinc/61/17/21/936611721.db2.gz LHOISGCEWKERPN-UHFFFAOYSA-N 0 3 292.379 1.627 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834697983 936700389 /nfs/dbraw/zinc/70/03/89/936700389.db2.gz SNWLPWCCYAABQT-AGIUHOORSA-N 0 3 274.364 1.884 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000834851298 936708961 /nfs/dbraw/zinc/70/89/61/936708961.db2.gz WPRVBAMOLFVRGZ-UONOGXRCSA-N 0 3 278.396 1.890 20 10 CDCDHN COc1cccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075124 936717254 /nfs/dbraw/zinc/71/72/54/936717254.db2.gz VTSQJZXWEINURO-OLZOCXBDSA-N 0 3 290.363 1.644 20 10 CDCDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284775 925744839 /nfs/dbraw/zinc/74/48/39/925744839.db2.gz LKDFHELAHHHGLM-CYBMUJFWSA-N 0 3 292.354 1.879 20 10 CDCDHN Oc1cc(F)c(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC001142508563 937025070 /nfs/dbraw/zinc/02/50/70/937025070.db2.gz CVMVUXZWPOYNCK-LBPRGKRZSA-N 0 3 298.333 1.577 20 10 CDCDHN COc1c([O-])c(CN(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843124411 937115107 /nfs/dbraw/zinc/11/51/07/937115107.db2.gz ALVDWRSVFZTDID-UHFFFAOYSA-N 0 3 281.312 1.231 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC001169335030 927958699 /nfs/dbraw/zinc/95/86/99/927958699.db2.gz PIHOCKBRMKRKTD-SMDDNHRTSA-N 0 3 295.335 1.298 20 10 CDCDHN CCOC(=O)C[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000859188966 928981256 /nfs/dbraw/zinc/98/12/56/928981256.db2.gz IJALTOXQYILIMN-LBPRGKRZSA-N 0 3 267.325 1.138 20 10 CDCDHN CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000859188966 928981267 /nfs/dbraw/zinc/98/12/67/928981267.db2.gz IJALTOXQYILIMN-LBPRGKRZSA-N 0 3 267.325 1.138 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC000788270366 929502644 /nfs/dbraw/zinc/50/26/44/929502644.db2.gz RHNFAEMHKXRDPA-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC000788270366 929502654 /nfs/dbraw/zinc/50/26/54/929502654.db2.gz RHNFAEMHKXRDPA-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN Cc1cc(CN2CCNC(=O)C[C@@H]2C)ccc1N(C)C ZINC000815078597 929936273 /nfs/dbraw/zinc/93/62/73/929936273.db2.gz CMHLKIKNVPBTFY-ZDUSSCGKSA-N 0 3 275.396 1.771 20 10 CDCDHN [O-]c1c(F)cc(F)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000882916685 930100081 /nfs/dbraw/zinc/10/00/81/930100081.db2.gz UPTQNJZUVMTLKT-GFCCVEGCSA-N 0 3 286.322 1.217 20 10 CDCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000882916685 930100092 /nfs/dbraw/zinc/10/00/92/930100092.db2.gz UPTQNJZUVMTLKT-GFCCVEGCSA-N 0 3 286.322 1.217 20 10 CDCDHN CN1CCN(CCNC(=O)C2=CC(=O)CS2)CC1(C)C ZINC000799853727 937398416 /nfs/dbraw/zinc/39/84/16/937398416.db2.gz ZSTZWVQQRXUHCF-UHFFFAOYSA-N 0 3 297.424 1.210 20 10 CDCDHN C[C@@H](NC[C@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964498 930645879 /nfs/dbraw/zinc/64/58/79/930645879.db2.gz AQHPGRNGWOUSDV-PELKAZGASA-N 0 3 265.313 1.688 20 10 CDCDHN OC[C@H](CC(F)F)NCc1ccc2c(c1)CCO2 ZINC000717745423 931074894 /nfs/dbraw/zinc/07/48/94/931074894.db2.gz QIVPMWGGUWRPDN-NSHDSACASA-N 0 3 257.280 1.727 20 10 CDCDHN Oc1ccccc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001275266590 931719306 /nfs/dbraw/zinc/71/93/06/931719306.db2.gz BHPHNFGKRDNWQD-UHFFFAOYSA-N 0 3 298.390 1.549 20 10 CDCDHN CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219375 932670801 /nfs/dbraw/zinc/67/08/01/932670801.db2.gz ZRTFUEOVFKZLPB-NSHDSACASA-N 0 3 278.352 1.653 20 10 CDCDHN CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219375 932670803 /nfs/dbraw/zinc/67/08/03/932670803.db2.gz ZRTFUEOVFKZLPB-NSHDSACASA-N 0 3 278.352 1.653 20 10 CDCDHN Cc1c(CN2CCOC[C@@H](O)C2)c2ccccc2n1C ZINC001138252761 933264410 /nfs/dbraw/zinc/26/44/10/933264410.db2.gz SYBUSFDBYNESAJ-ZDUSSCGKSA-N 0 3 274.364 1.680 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@H]2CCCOC2)c([O-])c1 ZINC000040906816 934181415 /nfs/dbraw/zinc/18/14/15/934181415.db2.gz WPPZVHKAIBNZJT-NSHDSACASA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000795581238 934880048 /nfs/dbraw/zinc/88/00/48/934880048.db2.gz GSIKJWVKZDNSRI-KGLIPLIRSA-N 0 3 295.379 1.526 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001203552875 939692795 /nfs/dbraw/zinc/69/27/95/939692795.db2.gz UCTQDUYDVUPCPH-CHWSQXEVSA-N 0 3 260.337 1.587 20 10 CDCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001203552875 939692796 /nfs/dbraw/zinc/69/27/96/939692796.db2.gz UCTQDUYDVUPCPH-CHWSQXEVSA-N 0 3 260.337 1.587 20 10 CDCDHN COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001203621554 939697432 /nfs/dbraw/zinc/69/74/32/939697432.db2.gz XCRMWOGUARAXIA-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001203621554 939697434 /nfs/dbraw/zinc/69/74/34/939697434.db2.gz XCRMWOGUARAXIA-JQWIXIFHSA-N 0 3 251.326 1.746 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](F)[C@@H](O)C2)cc1 ZINC001203929977 939714730 /nfs/dbraw/zinc/71/47/30/939714730.db2.gz MKZLOAONYNDZHS-KBPBESRZSA-N 0 3 252.333 1.657 20 10 CDCDHN CCN(CCCC(=O)OC)Cc1cc(O)c(O)c(OC)c1 ZINC001204341890 939757165 /nfs/dbraw/zinc/75/71/65/939757165.db2.gz HVCHSHDAXHVADG-UHFFFAOYSA-N 0 3 297.351 1.882 20 10 CDCDHN N[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1F ZINC001204822684 939795022 /nfs/dbraw/zinc/79/50/22/939795022.db2.gz FCLBTLAXYODAQL-CABCVRRESA-N 0 3 279.359 1.004 20 10 CDCDHN [O-]c1cc(F)c(F)cc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502843 941604320 /nfs/dbraw/zinc/60/43/20/941604320.db2.gz UOPXRHCTJGCHHL-KBPBESRZSA-N 0 3 297.349 1.196 20 10 CDCDHN NC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277440472 942574857 /nfs/dbraw/zinc/57/48/57/942574857.db2.gz ACDLVXHSWGNIPR-VNHYZAJKSA-N 0 3 290.363 1.105 20 10 CDCDHN NC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277440472 942574859 /nfs/dbraw/zinc/57/48/59/942574859.db2.gz ACDLVXHSWGNIPR-VNHYZAJKSA-N 0 3 290.363 1.105 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001277442526 942579740 /nfs/dbraw/zinc/57/97/40/942579740.db2.gz WYKLWBFBUJYZDV-SWLSCSKDSA-N 0 3 260.337 1.445 20 10 CDCDHN CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001277442526 942579745 /nfs/dbraw/zinc/57/97/45/942579745.db2.gz WYKLWBFBUJYZDV-SWLSCSKDSA-N 0 3 260.337 1.445 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231588797 942937800 /nfs/dbraw/zinc/93/78/00/942937800.db2.gz UHNOOERQWLUOBU-GUYCJALGSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231588797 942937808 /nfs/dbraw/zinc/93/78/08/942937808.db2.gz UHNOOERQWLUOBU-GUYCJALGSA-N 0 3 287.359 1.721 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](O)[C@@H](C)C1 ZINC001231849433 943028542 /nfs/dbraw/zinc/02/85/42/943028542.db2.gz SONNNBYAQQXPEZ-WFASDCNBSA-N 0 3 278.396 1.964 20 10 CDCDHN COCCN1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836585 943414102 /nfs/dbraw/zinc/41/41/02/943414102.db2.gz QMEXBTSYUKKASP-UHFFFAOYSA-N 0 3 293.411 1.222 20 10 CDCDHN OC[C@H]1CCCCN1Cc1cc(O)c(O)cc1O ZINC001233482673 943591388 /nfs/dbraw/zinc/59/13/88/943591388.db2.gz XUPQCNDYQSFEKO-SNVBAGLBSA-N 0 3 253.298 1.150 20 10 CDCDHN Oc1cc(O)c(CN2CCC(N3CC(F)C3)CC2)cc1O ZINC001233485579 943592917 /nfs/dbraw/zinc/59/29/17/943592917.db2.gz BTCXJBVVRUZEHX-UHFFFAOYSA-N 0 3 296.342 1.422 20 10 CDCDHN C[C@@H]1CO[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233486544 943596179 /nfs/dbraw/zinc/59/61/79/943596179.db2.gz QWAUYJRCWCGPPQ-PJCOJXEDSA-N 0 3 265.309 1.270 20 10 CDCDHN CCN1CC(Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234657863 943930301 /nfs/dbraw/zinc/93/03/01/943930301.db2.gz KHKOUOHRAIHUPN-UHFFFAOYSA-N 0 3 289.423 1.911 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001236819087 944581673 /nfs/dbraw/zinc/58/16/73/944581673.db2.gz SRNOFPWTKZGMTE-GFCCVEGCSA-N 0 3 265.353 1.914 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001236819087 944581678 /nfs/dbraw/zinc/58/16/78/944581678.db2.gz SRNOFPWTKZGMTE-GFCCVEGCSA-N 0 3 265.353 1.914 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001236828000 944584560 /nfs/dbraw/zinc/58/45/60/944584560.db2.gz YWJJHNRUSCZRLH-GOEBONIOSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001236828000 944584563 /nfs/dbraw/zinc/58/45/63/944584563.db2.gz YWJJHNRUSCZRLH-GOEBONIOSA-N 0 3 273.332 1.330 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237045913 944646033 /nfs/dbraw/zinc/64/60/33/944646033.db2.gz MWMOHEYTTLXGLQ-LSDHHAIUSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237045913 944646038 /nfs/dbraw/zinc/64/60/38/944646038.db2.gz MWMOHEYTTLXGLQ-LSDHHAIUSA-N 0 3 279.380 1.691 20 10 CDCDHN CCOc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001237044738 944647311 /nfs/dbraw/zinc/64/73/11/944647311.db2.gz NCTCCKUHUBUPLT-UHFFFAOYSA-N 0 3 263.337 1.869 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC001249173208 949439756 /nfs/dbraw/zinc/43/97/56/949439756.db2.gz RWMHNXNGIMCSKK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC001249173208 949439769 /nfs/dbraw/zinc/43/97/69/949439769.db2.gz RWMHNXNGIMCSKK-CQSZACIVSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249173705 949441787 /nfs/dbraw/zinc/44/17/87/949441787.db2.gz VKFQXBGHWXNKKK-FZMZJTMJSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249173705 949441801 /nfs/dbraw/zinc/44/18/01/949441801.db2.gz VKFQXBGHWXNKKK-FZMZJTMJSA-N 0 3 293.363 1.310 20 10 CDCDHN [O-]c1cccc2c1C[N@H+](CC1(O)CCOCC1)CC2 ZINC001252962768 951719617 /nfs/dbraw/zinc/71/96/17/951719617.db2.gz HFOKCRRJPCGAES-UHFFFAOYSA-N 0 3 263.337 1.292 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+](CC1(O)CCOCC1)CC2 ZINC001252962768 951719623 /nfs/dbraw/zinc/71/96/23/951719623.db2.gz HFOKCRRJPCGAES-UHFFFAOYSA-N 0 3 263.337 1.292 20 10 CDCDHN COc1ccc(CNCc2ccc[nH]c2=O)c(O)c1OC ZINC001343226695 963932476 /nfs/dbraw/zinc/93/24/76/963932476.db2.gz XJOPCBQYIFGQFS-UHFFFAOYSA-N 0 3 290.319 1.800 20 10 CDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)CC)cc2=O ZINC000051880248 345206363 /nfs/dbraw/zinc/20/63/63/345206363.db2.gz OYCGIOXELVRWSB-UHFFFAOYSA-N 0 3 292.339 1.453 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H](CC)CO)c1 ZINC000295190913 199397540 /nfs/dbraw/zinc/39/75/40/199397540.db2.gz XGIJDZQOSYFMIF-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H](CC)CO)c1 ZINC000295190913 199397542 /nfs/dbraw/zinc/39/75/42/199397542.db2.gz XGIJDZQOSYFMIF-GFCCVEGCSA-N 0 3 253.342 1.994 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000112839400 366159574 /nfs/dbraw/zinc/15/95/74/366159574.db2.gz KTEQJBKGUKNEFB-KGLIPLIRSA-N 0 3 262.353 1.345 20 10 CDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294852774 363409789 /nfs/dbraw/zinc/40/97/89/363409789.db2.gz VCNRILGFLZNNSR-NSHDSACASA-N 0 3 261.369 1.509 20 10 CDCDHN CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[O-] ZINC000037740458 356921561 /nfs/dbraw/zinc/92/15/61/356921561.db2.gz NUWYVWYBPPOXDL-LLVKDONJSA-N 0 3 257.355 1.478 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[O-] ZINC000179874837 357228860 /nfs/dbraw/zinc/22/88/60/357228860.db2.gz YILNYFRESKHEFO-LLVKDONJSA-N 0 3 264.325 1.885 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c([O-])c1 ZINC000185365659 357536983 /nfs/dbraw/zinc/53/69/83/357536983.db2.gz ZUXPYOCBWWVITQ-HUUCEWRRSA-N 0 3 291.439 1.987 20 10 CDCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295938978 357585677 /nfs/dbraw/zinc/58/56/77/357585677.db2.gz KTITVKIWQDNUMH-LBPRGKRZSA-N 0 3 260.337 1.495 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc(OC)c(OC)cc1O ZINC000188046274 357838698 /nfs/dbraw/zinc/83/86/98/357838698.db2.gz WUJCOBRTVSXWJR-JTQLQIEISA-N 0 3 296.367 1.366 20 10 CDCDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107770 358264991 /nfs/dbraw/zinc/26/49/91/358264991.db2.gz CMILDOFPBYEWJC-LBPRGKRZSA-N 0 3 292.379 1.902 20 10 CDCDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193107770 358264992 /nfs/dbraw/zinc/26/49/92/358264992.db2.gz CMILDOFPBYEWJC-LBPRGKRZSA-N 0 3 292.379 1.902 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[NH+]2CCC1CC2 ZINC000367689364 358437286 /nfs/dbraw/zinc/43/72/86/358437286.db2.gz UWPRCRLDQZIEGU-UHFFFAOYSA-N 0 3 250.317 1.811 20 10 CDCDHN COc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1[O-] ZINC000365565140 359543421 /nfs/dbraw/zinc/54/34/21/359543421.db2.gz XTNKSXNCTMTESY-LBPRGKRZSA-N 0 3 263.337 1.869 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@H](OC)C2CC2)cc1OC ZINC000293562536 370689614 /nfs/dbraw/zinc/68/96/14/370689614.db2.gz GFFLQHDSCQVCHH-HNNXBMFYSA-N 0 3 281.352 1.924 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1c([O-])cccc1F ZINC000886590145 781949641 /nfs/dbraw/zinc/94/96/41/781949641.db2.gz ORHSYBPKBMYDCJ-HZMBPMFUSA-N 0 3 268.332 1.249 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)c([O-])c1O ZINC000293667972 370738182 /nfs/dbraw/zinc/73/81/82/370738182.db2.gz GHHIRHCBRSUHAI-SECBINFHSA-N 0 3 266.341 1.334 20 10 CDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271124484 364935495 /nfs/dbraw/zinc/93/54/95/364935495.db2.gz ZFVUARXRTOYJLK-LLVKDONJSA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271124484 364935499 /nfs/dbraw/zinc/93/54/99/364935499.db2.gz ZFVUARXRTOYJLK-LLVKDONJSA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000271124484 364935506 /nfs/dbraw/zinc/93/55/06/364935506.db2.gz ZFVUARXRTOYJLK-LLVKDONJSA-N 0 3 265.309 1.396 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000168753387 365003040 /nfs/dbraw/zinc/00/30/40/365003040.db2.gz XQUPDKYZCIOZAE-NSHDSACASA-N 0 3 252.358 1.831 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1[O-] ZINC000272872627 365427205 /nfs/dbraw/zinc/42/72/05/365427205.db2.gz OYQFVJOKDYIGBA-TZMCWYRMSA-N 0 3 291.395 1.383 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1 ZINC000293885076 370841573 /nfs/dbraw/zinc/84/15/73/370841573.db2.gz VPQHRFMSVLOQLZ-HUUCEWRRSA-N 0 3 291.439 1.905 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282677231 367987270 /nfs/dbraw/zinc/98/72/70/367987270.db2.gz NEDFSGMVHUCJDT-UHFFFAOYSA-N 0 3 281.352 1.040 20 10 CDCDHN CCCOc1ccc(CNCc2cnnn2C)c(O)c1 ZINC000288421155 369446664 /nfs/dbraw/zinc/44/66/64/369446664.db2.gz JRXKYLNPIJZGQF-UHFFFAOYSA-N 0 3 276.340 1.599 20 10 CDCDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296770543 371909061 /nfs/dbraw/zinc/90/90/61/371909061.db2.gz KMVQVXWZVJCIKM-CHWSQXEVSA-N 0 3 274.364 1.980 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295209909 378662376 /nfs/dbraw/zinc/66/23/76/378662376.db2.gz ZXEARSCRODZPOX-HNNXBMFYSA-N 0 3 278.396 1.637 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361051 390901902 /nfs/dbraw/zinc/90/19/02/390901902.db2.gz ZQCVVQONVROWEN-LBPRGKRZSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361051 390901904 /nfs/dbraw/zinc/90/19/04/390901904.db2.gz ZQCVVQONVROWEN-LBPRGKRZSA-N 0 3 278.352 1.359 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC2 ZINC000295778150 285396761 /nfs/dbraw/zinc/39/67/61/285396761.db2.gz ARMIHTQVEFOXOY-WPRPVWTQSA-N 0 3 261.243 1.892 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1[O-] ZINC000183441855 391264431 /nfs/dbraw/zinc/26/44/31/391264431.db2.gz RZNRXFBVEDCCJT-CYBMUJFWSA-N 0 3 278.396 1.890 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527769950 392990662 /nfs/dbraw/zinc/99/06/62/392990662.db2.gz TZUDDXWQCZGNIO-KRWDZBQOSA-N 0 3 285.343 1.848 20 10 CDCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000783518214 782010469 /nfs/dbraw/zinc/01/04/69/782010469.db2.gz KBIQTDFWIBNHSG-HUBLWGQQSA-N 0 3 264.369 1.762 20 10 CDCDHN COC(=O)CC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000152556680 261065857 /nfs/dbraw/zinc/06/58/57/261065857.db2.gz KCQPLKRNWMFBKZ-UHFFFAOYSA-N 0 3 279.336 1.594 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000129639638 264329397 /nfs/dbraw/zinc/32/93/97/264329397.db2.gz HCCBTFYDJBENHY-CHWSQXEVSA-N 0 3 251.326 1.650 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295874842 278265536 /nfs/dbraw/zinc/26/55/36/278265536.db2.gz HFVONIMKGIZYBP-GXTWGEPZSA-N 0 3 276.380 1.690 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000271811184 328197577 /nfs/dbraw/zinc/19/75/77/328197577.db2.gz KUBNBDIFRWDNJB-WDEREUQCSA-N 0 3 281.352 1.924 20 10 CDCDHN CC(C)OCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168959868 329062307 /nfs/dbraw/zinc/06/23/07/329062307.db2.gz LSDKQMCQAIKONG-UHFFFAOYSA-N 0 3 253.298 1.636 20 10 CDCDHN Cc1cccc(CN2CCN(c3cnn(C)c3)CC2)c1O ZINC000180240606 329218762 /nfs/dbraw/zinc/21/87/62/329218762.db2.gz BLPPPOWZZJBJQN-UHFFFAOYSA-N 0 3 286.379 1.756 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[O-] ZINC000252546040 334382453 /nfs/dbraw/zinc/38/24/53/334382453.db2.gz KBGZFIYNAOOLAH-IHRRRGAJSA-N 0 3 276.380 1.906 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000229051965 522540447 /nfs/dbraw/zinc/54/04/47/522540447.db2.gz JEWAGOYVLHMIHN-NSHDSACASA-N 0 3 271.744 1.915 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCCNC2=O)c1 ZINC000036977199 524765716 /nfs/dbraw/zinc/76/57/16/524765716.db2.gz PEDRWSPSDWCGJH-MFKMUULPSA-N 0 3 278.352 1.720 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@]2(CCO)CCOC2)cc1C ZINC000278501806 525321949 /nfs/dbraw/zinc/32/19/49/525321949.db2.gz OBZWALVBFPIURF-OAHLLOKOSA-N 0 3 265.353 1.640 20 10 CDCDHN CSCC[C@H](N)C(=O)NCc1ccccc1O ZINC000083399600 525584518 /nfs/dbraw/zinc/58/45/18/525584518.db2.gz RGFJMZSFWHGKES-JTQLQIEISA-N 0 3 254.355 1.089 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000280933032 525723204 /nfs/dbraw/zinc/72/32/04/525723204.db2.gz IGJJYXXIYKPYOF-LLVKDONJSA-N 0 3 283.393 1.928 20 10 CDCDHN COc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000125567607 526036770 /nfs/dbraw/zinc/03/67/70/526036770.db2.gz BWWNHYUNIYSYAO-MLCYQJTMSA-N 0 3 271.382 1.648 20 10 CDCDHN C[N@@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732290439 575087370 /nfs/dbraw/zinc/08/73/70/575087370.db2.gz PQDHIXZRGLLQTN-SECBINFHSA-N 0 3 254.355 1.525 20 10 CDCDHN C[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732290439 575087371 /nfs/dbraw/zinc/08/73/71/575087371.db2.gz PQDHIXZRGLLQTN-SECBINFHSA-N 0 3 254.355 1.525 20 10 CDCDHN CCN(C)c1ccc(CN2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000773888745 575843276 /nfs/dbraw/zinc/84/32/76/575843276.db2.gz NHADEFAQFVBAQW-IYBDPMFKSA-N 0 3 278.396 1.988 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1C3CCC1CC3)[C@H](O)CO2 ZINC000768442440 576283678 /nfs/dbraw/zinc/28/36/78/576283678.db2.gz WEZKPFUVWUHCOY-QIMFLAQGSA-N 0 3 261.321 1.945 20 10 CDCDHN CCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464193 576287041 /nfs/dbraw/zinc/28/70/41/576287041.db2.gz ODDPJQABKXWDNA-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN CCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464193 576287042 /nfs/dbraw/zinc/28/70/42/576287042.db2.gz ODDPJQABKXWDNA-NHYWBVRUSA-N 0 3 293.363 1.676 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c([O-])c1C ZINC000762784852 576671379 /nfs/dbraw/zinc/67/13/79/576671379.db2.gz ALRURKXCGZFVJB-CJNGLKHVSA-N 0 3 278.396 1.726 20 10 CDCDHN CN(C)c1ccc(CN[C@]2(CO)CCOC2)cc1F ZINC000757978604 577064710 /nfs/dbraw/zinc/06/47/10/577064710.db2.gz NRKPDUTYMBBHLW-AWEZNQCLSA-N 0 3 268.332 1.133 20 10 CDCDHN COc1ccc(O)c(CNC2COC(C)(C)OC2)c1 ZINC000758012768 577067457 /nfs/dbraw/zinc/06/74/57/577067457.db2.gz VZQZBARFWTZYKZ-UHFFFAOYSA-N 0 3 267.325 1.642 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057112 618691269 /nfs/dbraw/zinc/69/12/69/618691269.db2.gz BEYFKKPAIHRKSQ-ZJUUUORDSA-N 0 3 295.339 1.478 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NCCF)c1O ZINC000894665658 619008472 /nfs/dbraw/zinc/00/84/72/619008472.db2.gz CLZGKWKEGYFRHM-JTQLQIEISA-N 0 3 284.331 1.273 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895329872 619574920 /nfs/dbraw/zinc/57/49/20/619574920.db2.gz KGJHJXTUHJSXBG-IUODEOHRSA-N 0 3 281.352 1.109 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c([O-])c1 ZINC000895329872 619574922 /nfs/dbraw/zinc/57/49/22/619574922.db2.gz KGJHJXTUHJSXBG-IUODEOHRSA-N 0 3 281.352 1.109 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c([O-])c1 ZINC000895749389 619821469 /nfs/dbraw/zinc/82/14/69/619821469.db2.gz QSKIHHPCBGPFBR-KGLIPLIRSA-N 0 3 265.353 1.720 20 10 CDCDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1c(C)cccc1[O-] ZINC000896618230 620167735 /nfs/dbraw/zinc/16/77/35/620167735.db2.gz NVVAJZNMLIVARY-CQSZACIVSA-N 0 3 278.396 1.901 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])C2)c1[O-] ZINC000050242547 1158682469 /nfs/dbraw/zinc/68/24/69/1158682469.db2.gz DCBPVBDPHQXUJH-LLVKDONJSA-N 0 3 252.289 1.267 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccn1 ZINC000851840885 1164448132 /nfs/dbraw/zinc/44/81/32/1164448132.db2.gz KUGLAAWMYLQSCG-OAHLLOKOSA-N 0 3 258.321 1.953 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccn1 ZINC000851840885 1164448136 /nfs/dbraw/zinc/44/81/36/1164448136.db2.gz KUGLAAWMYLQSCG-OAHLLOKOSA-N 0 3 258.321 1.953 20 10 CDCDHN COCCN1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877046388 1165965221 /nfs/dbraw/zinc/96/52/21/1165965221.db2.gz MVNDQITYCDFELZ-ZDUSSCGKSA-N 0 3 264.369 1.511 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[O-] ZINC000879648302 1166391903 /nfs/dbraw/zinc/39/19/03/1166391903.db2.gz JFKVURYSWUDBKK-CHWSQXEVSA-N 0 3 295.379 1.599 20 10 CDCDHN Nc1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1 ZINC001580446837 1172437974 /nfs/dbraw/zinc/43/79/74/1172437974.db2.gz IMNWVXRRYBLDRR-UHFFFAOYSA-N 0 3 292.346 1.806 20 10 CDCDHN CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000228693417 1175794377 /nfs/dbraw/zinc/79/43/77/1175794377.db2.gz MIUXIIGGHJMVFP-SNVBAGLBSA-N 0 3 268.332 1.954 20 10 CDCDHN CC[NH2+]CCCN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610011320 1165183859 /nfs/dbraw/zinc/18/38/59/1165183859.db2.gz PREANFUZEFHMGD-JTQLQIEISA-N 0 3 266.341 1.741 20 10 CDCDHN O=C(CNCc1ccc(N2CCCC2)cc1)NC1CC1 ZINC000037262890 1165762833 /nfs/dbraw/zinc/76/28/33/1165762833.db2.gz XRLKGTQPQDROEO-UHFFFAOYSA-N 0 3 273.380 1.655 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000876974422 1165952143 /nfs/dbraw/zinc/95/21/43/1165952143.db2.gz HBGQFWLIVHAHDK-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173759892 912805129 /nfs/dbraw/zinc/80/51/29/912805129.db2.gz VJZVJCQLDFDOCC-NEPJUHHUSA-N 0 3 289.339 1.358 20 10 CDCDHN [NH3+]CC1(F)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001222548365 900227228 /nfs/dbraw/zinc/22/72/28/900227228.db2.gz IMUXGUMSUGWADB-UHFFFAOYSA-N 0 3 274.286 1.933 20 10 CDCDHN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccccc1[O-] ZINC000323032895 909041424 /nfs/dbraw/zinc/04/14/24/909041424.db2.gz MSXRYVBJQAFVHM-ZYHUDNBSSA-N 0 3 250.342 1.958 20 10 CDCDHN Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)c([O-])cc1Br ZINC001236289830 914885013 /nfs/dbraw/zinc/88/50/13/914885013.db2.gz IYAWIDHTKWZICG-ZYHUDNBSSA-N 0 3 297.196 1.867 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000827141807 936493042 /nfs/dbraw/zinc/49/30/42/936493042.db2.gz YCSDTELEKDGMIF-DGCLKSJQSA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000827141807 936493045 /nfs/dbraw/zinc/49/30/45/936493045.db2.gz YCSDTELEKDGMIF-DGCLKSJQSA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000827141808 936493608 /nfs/dbraw/zinc/49/36/08/936493608.db2.gz YCSDTELEKDGMIF-WCQYABFASA-N 0 3 290.363 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000827141808 936493609 /nfs/dbraw/zinc/49/36/09/936493609.db2.gz YCSDTELEKDGMIF-WCQYABFASA-N 0 3 290.363 1.501 20 10 CDCDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000835076020 936716726 /nfs/dbraw/zinc/71/67/26/936716726.db2.gz GUDOJDMGVYFCJW-UHFFFAOYSA-N 0 3 281.375 1.896 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001140947731 936782208 /nfs/dbraw/zinc/78/22/08/936782208.db2.gz CTRDKLBOQSZWAD-HNNXBMFYSA-N 0 3 260.337 1.413 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001140947731 936782210 /nfs/dbraw/zinc/78/22/10/936782210.db2.gz CTRDKLBOQSZWAD-HNNXBMFYSA-N 0 3 260.337 1.413 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028968 936793989 /nfs/dbraw/zinc/79/39/89/936793989.db2.gz FTIAQOYOXNPTPE-WDEREUQCSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028968 936793990 /nfs/dbraw/zinc/79/39/90/936793990.db2.gz FTIAQOYOXNPTPE-WDEREUQCSA-N 0 3 281.352 1.755 20 10 CDCDHN CN1CCOc2cc(CN3CC(N4CCCC4)C3)ccc21 ZINC001141143317 936819587 /nfs/dbraw/zinc/81/95/87/936819587.db2.gz UUXBCZSOEBDVGA-UHFFFAOYSA-N 0 3 287.407 1.795 20 10 CDCDHN CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001141157683 936822501 /nfs/dbraw/zinc/82/25/01/936822501.db2.gz MHQHXEQFMLLPHN-INIZCTEOSA-N 0 3 290.363 1.685 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c([O-])c1 ZINC000710879026 923251433 /nfs/dbraw/zinc/25/14/33/923251433.db2.gz OZGQVMSZGSQXTE-CYZMBNFOSA-N 0 3 251.326 1.501 20 10 CDCDHN Oc1ccc(O)c(CN2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001141162793 936823575 /nfs/dbraw/zinc/82/35/75/936823575.db2.gz FCAZVVPOOLPAPC-CYBMUJFWSA-N 0 3 287.319 1.541 20 10 CDCDHN Fc1cc(CN[C@H]2CCOC2)cc(F)c1N1CCOCC1 ZINC000839146715 936906984 /nfs/dbraw/zinc/90/69/84/936906984.db2.gz RWVHJCSSJJFKJP-LBPRGKRZSA-N 0 3 298.333 1.680 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@H]2OC)c1[O-] ZINC000839191821 936908632 /nfs/dbraw/zinc/90/86/32/936908632.db2.gz GDPBOLZNXUHSDG-CMPLNLGQSA-N 0 3 287.743 1.558 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1[O-] ZINC000842474588 937058042 /nfs/dbraw/zinc/05/80/42/937058042.db2.gz VRNQDCXRTLIQSH-UWVGGRQHSA-N 0 3 280.343 1.916 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000843488994 937155997 /nfs/dbraw/zinc/15/59/97/937155997.db2.gz AFLIQFPPDFGDRQ-TVQRCGJNSA-N 0 3 280.368 1.951 20 10 CDCDHN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001168977239 927562712 /nfs/dbraw/zinc/56/27/12/927562712.db2.gz JAAHAUDVASJGQL-KOLCDFICSA-N 0 3 266.297 1.633 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000783721765 937278801 /nfs/dbraw/zinc/27/88/01/937278801.db2.gz NFBLLTRXIDEBNY-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN CCN(Cc1ccc(N(C)C)cc1)c1nc(N)nc(N)n1 ZINC000858450670 928864635 /nfs/dbraw/zinc/86/46/35/928864635.db2.gz HHYUPQCVYBQKNH-UHFFFAOYSA-N 0 3 287.371 1.129 20 10 CDCDHN CCOc1cccc(CNC[C@H](C)S(C)(=O)=O)c1O ZINC000697615204 937284888 /nfs/dbraw/zinc/28/48/88/937284888.db2.gz YLBBRAQMBSZHMX-JTQLQIEISA-N 0 3 287.381 1.314 20 10 CDCDHN Cc1cc(CN2C[C@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000859455101 929016678 /nfs/dbraw/zinc/01/66/78/929016678.db2.gz VTWKRVDBLRZACT-IRXDYDNUSA-N 0 3 290.407 1.523 20 10 CDCDHN CCN(C)c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000815101384 929946491 /nfs/dbraw/zinc/94/64/91/929946491.db2.gz XTTMHBPKLQKUFE-ZBFHGGJFSA-N 0 3 278.396 1.318 20 10 CDCDHN COC(=O)N[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000884483857 930582082 /nfs/dbraw/zinc/58/20/82/930582082.db2.gz AIPVBUJNQMJQMJ-LBPRGKRZSA-N 0 3 294.351 1.640 20 10 CDCDHN C[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817954474 930643532 /nfs/dbraw/zinc/64/35/32/930643532.db2.gz ZIJKSIANZCKBBU-VIFPVBQESA-N 0 3 252.314 1.049 20 10 CDCDHN CNCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817954474 930643540 /nfs/dbraw/zinc/64/35/40/930643540.db2.gz ZIJKSIANZCKBBU-VIFPVBQESA-N 0 3 252.314 1.049 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N)c1 ZINC000817959944 930646757 /nfs/dbraw/zinc/64/67/57/930646757.db2.gz IBEVZPDGMJYLLT-VIFPVBQESA-N 0 3 266.341 1.567 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1c([O-])cccc1F ZINC000886524338 930900758 /nfs/dbraw/zinc/90/07/58/930900758.db2.gz ISLXPONXEYVKGQ-ZJUUUORDSA-N 0 3 256.321 1.104 20 10 CDCDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001116770501 937470929 /nfs/dbraw/zinc/47/09/29/937470929.db2.gz GCTHBYBXNGEXDD-RYUDHWBXSA-N 0 3 267.300 1.963 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559592 931460558 /nfs/dbraw/zinc/46/05/58/931460558.db2.gz VWXMDBREDRUJFZ-ZDUSSCGKSA-N 0 3 294.395 1.337 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000686591886 934177688 /nfs/dbraw/zinc/17/76/88/934177688.db2.gz CPIAJXLUGVXQAU-JSGCOSHPSA-N 0 3 251.326 1.676 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000281371191 935718262 /nfs/dbraw/zinc/71/82/62/935718262.db2.gz VPOWXXSTFOJHGT-MFKMUULPSA-N 0 3 292.335 1.331 20 10 CDCDHN COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000802310475 936036054 /nfs/dbraw/zinc/03/60/54/936036054.db2.gz VYIXYZHNQVHVBZ-FXPVBKGRSA-N 0 3 269.316 1.677 20 10 CDCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(OC)cc1O ZINC001122064810 937902635 /nfs/dbraw/zinc/90/26/35/937902635.db2.gz JEZIZDOKMNRPMN-ZWNOBZJWSA-N 0 3 280.368 1.781 20 10 CDCDHN CCN(C(=O)c1cc(O)c([O-])c(O)c1)[C@H]1CCC[NH2+]C1 ZINC001161344713 938893324 /nfs/dbraw/zinc/89/33/24/938893324.db2.gz AYUUXRSUJODODO-JTQLQIEISA-N 0 3 280.324 1.018 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001203620635 939697234 /nfs/dbraw/zinc/69/72/34/939697234.db2.gz GQXGNBIEGLIFJV-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001203620635 939697236 /nfs/dbraw/zinc/69/72/36/939697236.db2.gz GQXGNBIEGLIFJV-NHYWBVRUSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc(CN2CCN(C3CCC3)CC2)cc(O)c1O ZINC001204343407 939757810 /nfs/dbraw/zinc/75/78/10/939757810.db2.gz PLGFTZCRDODODH-UHFFFAOYSA-N 0 3 292.379 1.777 20 10 CDCDHN [NH3+]CC1(F)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001222542275 941611160 /nfs/dbraw/zinc/61/11/60/941611160.db2.gz CRMFJTOBDLUYFO-UHFFFAOYSA-N 0 3 274.286 1.933 20 10 CDCDHN COC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482693 943590597 /nfs/dbraw/zinc/59/05/97/943590597.db2.gz YNEOOPASWAHROV-UHFFFAOYSA-N 0 3 253.298 1.414 20 10 CDCDHN Oc1cc(O)c(CN2CCN(C3CCC3)CC2)cc1O ZINC001233483079 943592663 /nfs/dbraw/zinc/59/26/63/943592663.db2.gz NDMVOTDIXNVFIZ-UHFFFAOYSA-N 0 3 278.352 1.474 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H](O)CO)c2c1 ZINC001234535701 943883525 /nfs/dbraw/zinc/88/35/25/943883525.db2.gz DPLIPZSZUJGHPT-GFCCVEGCSA-N 0 3 291.347 1.339 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H](O)CO)c2c1 ZINC001234535701 943883527 /nfs/dbraw/zinc/88/35/27/943883527.db2.gz DPLIPZSZUJGHPT-GFCCVEGCSA-N 0 3 291.347 1.339 20 10 CDCDHN CCN1CCN(c2ccc(OC3CC(=O)C3)cc2)CC1 ZINC001234661657 943931886 /nfs/dbraw/zinc/93/18/86/943931886.db2.gz WFUPRGPCSXGJFK-UHFFFAOYSA-N 0 3 274.364 1.939 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235674039 944241312 /nfs/dbraw/zinc/24/13/12/944241312.db2.gz CTKVQTFZRWYVIH-IUODEOHRSA-N 0 3 279.380 1.475 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235674039 944241317 /nfs/dbraw/zinc/24/13/17/944241317.db2.gz CTKVQTFZRWYVIH-IUODEOHRSA-N 0 3 279.380 1.475 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235676980 944242429 /nfs/dbraw/zinc/24/24/29/944242429.db2.gz ZKOJXDLIKXJBTR-CZUORRHYSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001235676980 944242439 /nfs/dbraw/zinc/24/24/39/944242439.db2.gz ZKOJXDLIKXJBTR-CZUORRHYSA-N 0 3 293.407 1.865 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001236783066 944567079 /nfs/dbraw/zinc/56/70/79/944567079.db2.gz HQJMLHYDSGECDL-JKSUJKDBSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001236783066 944567085 /nfs/dbraw/zinc/56/70/85/944567085.db2.gz HQJMLHYDSGECDL-JKSUJKDBSA-N 0 3 279.380 1.520 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@H](O)C2)c1O ZINC001237681400 944922820 /nfs/dbraw/zinc/92/28/20/944922820.db2.gz OYKHKXWJIQZCOG-ZWNOBZJWSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1[O-] ZINC001237681400 944922826 /nfs/dbraw/zinc/92/28/26/944922826.db2.gz OYKHKXWJIQZCOG-ZWNOBZJWSA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1[O-] ZINC001237681400 944922831 /nfs/dbraw/zinc/92/28/31/944922831.db2.gz OYKHKXWJIQZCOG-ZWNOBZJWSA-N 0 3 285.771 1.529 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)C2CCOCC2)c([O-])c1 ZINC001249172392 949439334 /nfs/dbraw/zinc/43/93/34/949439334.db2.gz LXLFKJHPRHLEIT-UHFFFAOYSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)C2CCOCC2)c([O-])c1 ZINC001249172392 949439343 /nfs/dbraw/zinc/43/93/43/949439343.db2.gz LXLFKJHPRHLEIT-UHFFFAOYSA-N 0 3 293.363 1.719 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC001249201147 949454531 /nfs/dbraw/zinc/45/45/31/949454531.db2.gz HMWJDCLRBSUFRJ-INIZCTEOSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC001249201147 949454549 /nfs/dbraw/zinc/45/45/49/949454549.db2.gz HMWJDCLRBSUFRJ-INIZCTEOSA-N 0 3 293.363 1.455 20 10 CDCDHN CN(Cc1ccccc1O)C[C@H]1CN(C)C(=O)O1 ZINC001327813289 955053290 /nfs/dbraw/zinc/05/32/90/955053290.db2.gz YSBOZSBRFZPXDT-NSHDSACASA-N 0 3 250.298 1.275 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(F)CC1)[C@@H](O)CO2 ZINC001332135105 957446588 /nfs/dbraw/zinc/44/65/88/957446588.db2.gz KCBRTFDJAZDZDS-ZDUSSCGKSA-N 0 3 267.300 1.752 20 10 CDCDHN Cc1cccc(C[NH+]2CCN(Cc3nnc[n-]3)CC2)c1O ZINC001332722812 957690178 /nfs/dbraw/zinc/69/01/78/957690178.db2.gz BRSKKZNEFZWVDL-UHFFFAOYSA-N 0 3 287.367 1.137 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CC3)C2=O)c1 ZINC001320609730 959272694 /nfs/dbraw/zinc/27/26/94/959272694.db2.gz JXVMIYVTHZZUTC-HZMBPMFUSA-N 0 3 290.363 1.815 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000295120422 199355812 /nfs/dbraw/zinc/35/58/12/199355812.db2.gz WMSJPHAKWQMIQD-INIZCTEOSA-N 0 3 293.363 1.712 20 10 CDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000295120422 199355813 /nfs/dbraw/zinc/35/58/13/199355813.db2.gz WMSJPHAKWQMIQD-INIZCTEOSA-N 0 3 293.363 1.712 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC2 ZINC000295778145 199660242 /nfs/dbraw/zinc/66/02/42/199660242.db2.gz ARMIHTQVEFOXOY-SCZZXKLOSA-N 0 3 261.243 1.892 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294783116 199180945 /nfs/dbraw/zinc/18/09/45/199180945.db2.gz GXDJMMQYBDBAOI-UHFFFAOYSA-N 0 3 268.332 1.078 20 10 CDCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372314585 364516426 /nfs/dbraw/zinc/51/64/26/364516426.db2.gz FCXYWZOBRQRSLT-GFCCVEGCSA-N 0 3 290.363 1.798 20 10 CDCDHN CC[C@H]([NH2+][C@@H](CO)COC)c1ccc(C)cc1[O-] ZINC000281230421 367609979 /nfs/dbraw/zinc/60/99/79/367609979.db2.gz URNAZVVVFJGFGT-AAEUAGOBSA-N 0 3 253.342 1.749 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2COCCN2)cc1C ZINC000530182648 368146884 /nfs/dbraw/zinc/14/68/84/368146884.db2.gz XOVNHOHRDQOPCW-CYBMUJFWSA-N 0 3 250.342 1.087 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C)C2)c1 ZINC000273579555 371168125 /nfs/dbraw/zinc/16/81/25/371168125.db2.gz MIIBRMUUGMCVBX-UWVGGRQHSA-N 0 3 264.325 1.282 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273579555 371168132 /nfs/dbraw/zinc/16/81/32/371168132.db2.gz MIIBRMUUGMCVBX-UWVGGRQHSA-N 0 3 264.325 1.282 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(N3CCOCC3)CC1)CC2 ZINC000296575422 371825659 /nfs/dbraw/zinc/82/56/59/371825659.db2.gz VNIRAVSZYZBEGC-AWEZNQCLSA-N 0 3 288.391 1.834 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245977725 376348075 /nfs/dbraw/zinc/34/80/75/376348075.db2.gz OYMUOCRLEWBXAC-ZDUSSCGKSA-N 0 3 250.317 1.811 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245977725 376348077 /nfs/dbraw/zinc/34/80/77/376348077.db2.gz OYMUOCRLEWBXAC-ZDUSSCGKSA-N 0 3 250.317 1.811 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000293754884 378588536 /nfs/dbraw/zinc/58/85/36/378588536.db2.gz OLUCFPSKDUFODE-NWDGAFQWSA-N 0 3 262.353 1.890 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638672 262063543 /nfs/dbraw/zinc/06/35/43/262063543.db2.gz KOMBBFOKVMFHOA-HZMBPMFUSA-N 0 3 283.393 1.919 20 10 CDCDHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000187067613 262378230 /nfs/dbraw/zinc/37/82/30/262378230.db2.gz PCNSHXFQKHPTLZ-JTQLQIEISA-N 0 3 266.341 1.558 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([O-])c1O ZINC000179514864 391208163 /nfs/dbraw/zinc/20/81/63/391208163.db2.gz VVZDLRSSQIECTI-WCQYABFASA-N 0 3 292.379 1.818 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([O-])c1O ZINC000179514864 391208167 /nfs/dbraw/zinc/20/81/67/391208167.db2.gz VVZDLRSSQIECTI-WCQYABFASA-N 0 3 292.379 1.818 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000183374705 391263835 /nfs/dbraw/zinc/26/38/35/391263835.db2.gz RAXRWVOKSKHERS-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000183374705 391263837 /nfs/dbraw/zinc/26/38/37/391263837.db2.gz RAXRWVOKSKHERS-SNVBAGLBSA-N 0 3 264.325 1.098 20 10 CDCDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185468053 262304952 /nfs/dbraw/zinc/30/49/52/262304952.db2.gz PSTPIJNVSOWHDJ-QMTHXVAHSA-N 0 3 271.332 1.969 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177724 262312219 /nfs/dbraw/zinc/31/22/19/262312219.db2.gz ATWKGEOUAKYOKA-IINYFYTJSA-N 0 3 267.325 1.203 20 10 CDCDHN CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000187067613 262378229 /nfs/dbraw/zinc/37/82/29/262378229.db2.gz PCNSHXFQKHPTLZ-JTQLQIEISA-N 0 3 266.341 1.558 20 10 CDCDHN C[C@@H](NC1CC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000294697509 278333900 /nfs/dbraw/zinc/33/39/00/278333900.db2.gz CDIRSSSMSVEEDG-LLVKDONJSA-N 0 3 289.379 1.619 20 10 CDCDHN CC[C@H]([NH2+][C@H](CO)CCOC)c1ccccc1[O-] ZINC000281711808 288085286 /nfs/dbraw/zinc/08/52/86/288085286.db2.gz UAZLHSFMKHKGLD-AAEUAGOBSA-N 0 3 253.342 1.830 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000169096560 329064064 /nfs/dbraw/zinc/06/40/64/329064064.db2.gz NWAHGJXHOZKCBH-NTCNTBNZSA-N 0 3 291.800 1.911 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1COCCN1)c1cc(F)ccc1[O-] ZINC000530226678 328718383 /nfs/dbraw/zinc/71/83/83/328718383.db2.gz PTXZDPBLSVSORU-ONGXEEELSA-N 0 3 254.305 1.170 20 10 CDCDHN CCOc1cccc(CN(C)CCOCCOC)c1O ZINC000290232814 334374249 /nfs/dbraw/zinc/37/42/49/334374249.db2.gz TUUGYNKBQWBCPY-UHFFFAOYSA-N 0 3 283.368 1.886 20 10 CDCDHN CN(C)c1ccc(CNC[C@@H](O)C2CC2)cc1F ZINC000265096342 522208332 /nfs/dbraw/zinc/20/83/32/522208332.db2.gz PXZBHKGCWJMPPI-CQSZACIVSA-N 0 3 252.333 1.752 20 10 CDCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1F ZINC000264982292 522212409 /nfs/dbraw/zinc/21/24/09/522212409.db2.gz UWVNMMUZJMFCMU-LLVKDONJSA-N 0 3 265.332 1.212 20 10 CDCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCO1 ZINC000278555239 522364149 /nfs/dbraw/zinc/36/41/49/522364149.db2.gz BVRWNMUNRTZABO-TZMCWYRMSA-N 0 3 251.326 1.676 20 10 CDCDHN COCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866428 523305949 /nfs/dbraw/zinc/30/59/49/523305949.db2.gz BJUKSMJNMHDKAQ-UHFFFAOYSA-N 0 3 282.359 1.993 20 10 CDCDHN CCn1cc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000265581008 523385290 /nfs/dbraw/zinc/38/52/90/523385290.db2.gz YHQRMQDQHLSUEP-UHFFFAOYSA-N 0 3 275.308 1.627 20 10 CDCDHN CN(Cc1ccccc1O)C(=O)[C@H](N)C1CCOCC1 ZINC000282270982 523385121 /nfs/dbraw/zinc/38/51/21/523385121.db2.gz IBWJPBWXCICEOA-CQSZACIVSA-N 0 3 278.352 1.105 20 10 CDCDHN COCCOCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000044693980 524010229 /nfs/dbraw/zinc/01/02/29/524010229.db2.gz QDVCLLOPIJCQJE-UHFFFAOYSA-N 0 3 255.314 1.153 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCCNC2=O)c1 ZINC000036977193 524773868 /nfs/dbraw/zinc/77/38/68/524773868.db2.gz PEDRWSPSDWCGJH-GXFFZTMASA-N 0 3 278.352 1.720 20 10 CDCDHN C[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127637244 524805821 /nfs/dbraw/zinc/80/58/21/524805821.db2.gz WNRURIFTJHBXAQ-RYUDHWBXSA-N 0 3 282.359 1.694 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)Cn2cncn2)c([O-])c1 ZINC000725849119 574444384 /nfs/dbraw/zinc/44/43/84/574444384.db2.gz IAVOIQSIYJMWIW-SNVBAGLBSA-N 0 3 262.313 1.171 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCOC1 ZINC000738082346 576037676 /nfs/dbraw/zinc/03/76/76/576037676.db2.gz QZEKQNDKAPZITL-NSHDSACASA-N 0 3 279.336 1.979 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCOC1 ZINC000738082346 576037678 /nfs/dbraw/zinc/03/76/78/576037678.db2.gz QZEKQNDKAPZITL-NSHDSACASA-N 0 3 279.336 1.979 20 10 CDCDHN CC1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768465909 576287761 /nfs/dbraw/zinc/28/77/61/576287761.db2.gz SHZBPHVZZFOJKD-AWEZNQCLSA-N 0 3 261.321 1.970 20 10 CDCDHN CC1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768465909 576287763 /nfs/dbraw/zinc/28/77/63/576287763.db2.gz SHZBPHVZZFOJKD-AWEZNQCLSA-N 0 3 261.321 1.970 20 10 CDCDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1C1CC1 ZINC000753926757 576866401 /nfs/dbraw/zinc/86/64/01/576866401.db2.gz UFYZFBXUSOKODL-AAEUAGOBSA-N 0 3 289.379 1.817 20 10 CDCDHN Cc1cccc(C[NH+]2CCC3(COC(=O)N3)CC2)c1[O-] ZINC000753586645 577178469 /nfs/dbraw/zinc/17/84/69/577178469.db2.gz HFVXGCZFEPKOLU-UHFFFAOYSA-N 0 3 276.336 1.775 20 10 CDCDHN COc1ccc(CN2CCC[C@H](O)C2)c(O)c1OC ZINC000891451730 617414021 /nfs/dbraw/zinc/41/40/21/617414021.db2.gz RYYALPIHWJQONL-NSHDSACASA-N 0 3 267.325 1.366 20 10 CDCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000840965849 617863775 /nfs/dbraw/zinc/86/37/75/617863775.db2.gz ONVHRQZMPUWQGN-UHFFFAOYSA-N 0 3 273.329 1.198 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818234219 618503288 /nfs/dbraw/zinc/50/32/88/618503288.db2.gz VKOXVXOZBJESHZ-LBPRGKRZSA-N 0 3 293.342 1.129 20 10 CDCDHN COc1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)c([O-])c1 ZINC000894184613 618671254 /nfs/dbraw/zinc/67/12/54/618671254.db2.gz DRALHPRHZDCVGD-UHFFFAOYSA-N 0 3 287.363 1.913 20 10 CDCDHN COc1ccc(CN[C@H](C)C(=O)NC(C)C)c(O)c1OC ZINC000894935529 619154202 /nfs/dbraw/zinc/15/42/02/619154202.db2.gz ZWCPFYJRGYGFGU-SNVBAGLBSA-N 0 3 296.367 1.412 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(C)cc1[O-] ZINC000866497636 1164788549 /nfs/dbraw/zinc/78/85/49/1164788549.db2.gz OCANOKBVDFDXFE-MGPQQGTHSA-N 0 3 265.353 1.891 20 10 CDCDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000872141220 1165383814 /nfs/dbraw/zinc/38/38/14/1165383814.db2.gz QYQDHCQDEOQGLF-UIMWLRQOSA-N 0 3 281.327 1.819 20 10 CDCDHN [O-]c1ccc(F)cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229927 1165528316 /nfs/dbraw/zinc/52/83/16/1165528316.db2.gz IYHONMDRUUPOFN-ZIAGYGMSSA-N 0 3 250.317 1.906 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CCOCC1 ZINC000877014524 1165958446 /nfs/dbraw/zinc/95/84/46/1165958446.db2.gz FEKVOMWFHMBZEB-UHFFFAOYSA-N 0 3 251.326 1.332 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c([O-])c1 ZINC000877129336 1165980748 /nfs/dbraw/zinc/98/07/48/1165980748.db2.gz BTZYTCAVBHGEHR-DZGCQCFKSA-N 0 3 292.379 1.426 20 10 CDCDHN Cc1cc(N(C)C)ccc1CNCC(C)(C)S(C)(=O)=O ZINC000127348105 1166251395 /nfs/dbraw/zinc/25/13/95/1166251395.db2.gz GKECDXURLVBECA-UHFFFAOYSA-N 0 3 298.452 1.974 20 10 CDCDHN Cc1cc(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])ccc1N(C)C ZINC001600197081 1174401618 /nfs/dbraw/zinc/40/16/18/1174401618.db2.gz REIDZDKSZYUFSI-HNNXBMFYSA-N 0 3 291.395 1.310 20 10 CDCDHN Cc1cc(C[N@H+]2CCCNC[C@H]2C(=O)[O-])ccc1N(C)C ZINC001600197081 1174401622 /nfs/dbraw/zinc/40/16/22/1174401622.db2.gz REIDZDKSZYUFSI-HNNXBMFYSA-N 0 3 291.395 1.310 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000037138365 1165761938 /nfs/dbraw/zinc/76/19/38/1165761938.db2.gz SNCLQFQLVDLLSM-UHFFFAOYSA-N 0 3 264.325 1.198 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000399107930 784006819 /nfs/dbraw/zinc/00/68/19/784006819.db2.gz JEJZSCMVHFJAQD-AWEZNQCLSA-N 0 3 261.369 1.496 20 10 CDCDHN CCOc1cccc(CN(C)[C@@]2(CO)CCOC2)c1O ZINC000862427147 783843458 /nfs/dbraw/zinc/84/34/58/783843458.db2.gz UVFPVMGTPZYANG-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1cccc(CN2CCSC[C@H]2CO)c1O ZINC000877779893 784169348 /nfs/dbraw/zinc/16/93/48/784169348.db2.gz HOOPUCUPMIWOCL-GFCCVEGCSA-N 0 3 283.393 1.701 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559635 784342397 /nfs/dbraw/zinc/34/23/97/784342397.db2.gz XGJUZHBRNCFLIF-AWEZNQCLSA-N 0 3 264.369 1.329 20 10 CDCDHN CO[C@]1(C[NH2+][C@@H](C)c2ccccc2[O-])CCOC1 ZINC000123273708 784518440 /nfs/dbraw/zinc/51/84/40/784518440.db2.gz VVBMCXOHQDRXEL-FZMZJTMJSA-N 0 3 251.326 1.848 20 10 CDCDHN CCCN(CC(=O)NC)Cc1ccc(C)cc1O ZINC000876631479 784722653 /nfs/dbraw/zinc/72/26/53/784722653.db2.gz KBKBUDNTOHPCKH-UHFFFAOYSA-N 0 3 250.342 1.659 20 10 CDCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841079737 784734484 /nfs/dbraw/zinc/73/44/84/784734484.db2.gz QWEUTNVTUBKNBW-YUMQZZPRSA-N 0 3 276.714 1.974 20 10 CDCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079737 784734487 /nfs/dbraw/zinc/73/44/87/784734487.db2.gz QWEUTNVTUBKNBW-YUMQZZPRSA-N 0 3 276.714 1.974 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)c1ccco1 ZINC000876909637 784891602 /nfs/dbraw/zinc/89/16/02/784891602.db2.gz DIOMXYRKYMIUFD-UHFFFAOYSA-N 0 3 274.320 1.813 20 10 CDCDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1C ZINC000090027611 785033532 /nfs/dbraw/zinc/03/35/32/785033532.db2.gz PGYAUKQVBBVISU-GFCCVEGCSA-N 0 3 276.336 1.241 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@](C)(C[NH3+])C2)c1[O-] ZINC000312687368 785049836 /nfs/dbraw/zinc/04/98/36/785049836.db2.gz PZYJXJOMJLLUQX-HNNXBMFYSA-N 0 3 280.343 1.905 20 10 CDCDHN COCC(COC)N(C)CCN(C)c1ccc(OC)cc1 ZINC000930851813 785059342 /nfs/dbraw/zinc/05/93/42/785059342.db2.gz APAHOJIPDSIUTC-UHFFFAOYSA-N 0 3 296.411 1.725 20 10 CDCDHN COc1c([O-])c(C[NH2+][C@@H](CN)C2CC2)ccc1[N+](=O)[O-] ZINC000841028029 785327941 /nfs/dbraw/zinc/32/79/41/785327941.db2.gz JRQRXFISXPYJMZ-JTQLQIEISA-N 0 3 281.312 1.136 20 10 CDCDHN O=S1(=O)CCC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000808427606 785436548 /nfs/dbraw/zinc/43/65/48/785436548.db2.gz YHOASCSWQVEVMA-LLVKDONJSA-N 0 3 269.366 1.307 20 10 CDCDHN Cc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000877618149 786049589 /nfs/dbraw/zinc/04/95/89/786049589.db2.gz JBYKBSWKIRDJGB-LBPRGKRZSA-N 0 3 272.352 1.476 20 10 CDCDHN Cc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c([O-])c1 ZINC000877590001 786141585 /nfs/dbraw/zinc/14/15/85/786141585.db2.gz VOTVSQJREAWZMG-KGLIPLIRSA-N 0 3 265.353 1.578 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000793286095 786161023 /nfs/dbraw/zinc/16/10/23/786161023.db2.gz OORNQOSNCHBHIN-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886511448 786395840 /nfs/dbraw/zinc/39/58/40/786395840.db2.gz UHJDJKYGBABKAU-NEPJUHHUSA-N 0 3 282.359 1.639 20 10 CDCDHN Cc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)c([O-])c1 ZINC000876928527 786462530 /nfs/dbraw/zinc/46/25/30/786462530.db2.gz IAOFAMFGJKEECQ-UHFFFAOYSA-N 0 3 286.397 1.072 20 10 CDCDHN CCCNC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311852386 786867922 /nfs/dbraw/zinc/86/79/22/786867922.db2.gz JGJHXGWCTHXLBH-GFCCVEGCSA-N 0 3 262.353 1.885 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C2)c1[O-] ZINC000050242546 787045047 /nfs/dbraw/zinc/04/50/47/787045047.db2.gz DCBPVBDPHQXUJH-NSHDSACASA-N 0 3 252.289 1.267 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877494970 787523366 /nfs/dbraw/zinc/52/33/66/787523366.db2.gz QSAPXUPKTHZBSQ-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877494970 787523383 /nfs/dbraw/zinc/52/33/83/787523383.db2.gz QSAPXUPKTHZBSQ-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000817983001 787673196 /nfs/dbraw/zinc/67/31/96/787673196.db2.gz JKZUBDMPVPUDCP-CMPLNLGQSA-N 0 3 284.787 1.993 20 10 CDCDHN COC(=O)NC1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000827928966 787804461 /nfs/dbraw/zinc/80/44/61/787804461.db2.gz DMZZXXAFBOJJJF-UHFFFAOYSA-N 0 3 294.351 1.721 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886229903 788097815 /nfs/dbraw/zinc/09/78/15/788097815.db2.gz XNRJZFOBIMKMAK-RYUDHWBXSA-N 0 3 281.352 1.420 20 10 CDCDHN CCN1C[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877613247 788806518 /nfs/dbraw/zinc/80/65/18/788806518.db2.gz BVHLAVWINBRVLQ-GFCCVEGCSA-N 0 3 262.353 1.659 20 10 CDCDHN CCCNC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226585867 789069007 /nfs/dbraw/zinc/06/90/07/789069007.db2.gz FTLCRAXIOUMGQP-UHFFFAOYSA-N 0 3 254.305 1.537 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@@H](O)C2CC2)cc1F ZINC000858136145 789075555 /nfs/dbraw/zinc/07/55/55/789075555.db2.gz LKUNSYXAJJSYTK-CQSZACIVSA-N 0 3 270.323 1.891 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1F ZINC000862426794 789098980 /nfs/dbraw/zinc/09/89/80/789098980.db2.gz OQFLOQPUCHJCKK-OAHLLOKOSA-N 0 3 282.359 1.475 20 10 CDCDHN Cn1nnc2c1CC[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000848566633 789512554 /nfs/dbraw/zinc/51/25/54/789512554.db2.gz CTCFNWJVIKKIDG-NSHDSACASA-N 0 3 258.325 1.168 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCCC1 ZINC000126497495 789656100 /nfs/dbraw/zinc/65/61/00/789656100.db2.gz GHNIEOMYGMGDTD-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CC[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000129866847 789745127 /nfs/dbraw/zinc/74/51/27/789745127.db2.gz JDUYGJBBVSWBRV-MRVPVSSYSA-N 0 3 259.400 1.479 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000879648765 1166391971 /nfs/dbraw/zinc/39/19/71/1166391971.db2.gz CSQOIHCSMPWWDU-RDBSUJKOSA-N 0 3 295.379 1.599 20 10 CDCDHN Cc1ccc(O)c(CN2CC(N3CCN(C)CC3)C2)c1 ZINC001140623973 897200901 /nfs/dbraw/zinc/20/09/01/897200901.db2.gz ZPOLEENSUWDODU-UHFFFAOYSA-N 0 3 275.396 1.132 20 10 CDCDHN COc1ccc(C[NH+]2CCC(NC(C)=O)CC2)c([O-])c1 ZINC000092670386 901894910 /nfs/dbraw/zinc/89/49/10/901894910.db2.gz DCDXMPCGSOFUPR-UHFFFAOYSA-N 0 3 278.352 1.501 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001204273119 916406164 /nfs/dbraw/zinc/40/61/64/916406164.db2.gz YXTHRGINYVVAJU-UHFFFAOYSA-N 0 3 292.379 1.394 20 10 CDCDHN COC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059922 936675850 /nfs/dbraw/zinc/67/58/50/936675850.db2.gz AWHDQCNJUCZJCF-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059922 936675851 /nfs/dbraw/zinc/67/58/51/936675851.db2.gz AWHDQCNJUCZJCF-SNVBAGLBSA-N 0 3 267.300 1.916 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001140948155 936782390 /nfs/dbraw/zinc/78/23/90/936782390.db2.gz VWJLQJGIDZBZAP-HUUCEWRRSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001140948155 936782392 /nfs/dbraw/zinc/78/23/92/936782392.db2.gz VWJLQJGIDZBZAP-HUUCEWRRSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001140950100 936783192 /nfs/dbraw/zinc/78/31/92/936783192.db2.gz MYOWDCLYGMSSAZ-ZIAGYGMSSA-N 0 3 274.364 1.896 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001140950100 936783194 /nfs/dbraw/zinc/78/31/94/936783194.db2.gz MYOWDCLYGMSSAZ-ZIAGYGMSSA-N 0 3 274.364 1.896 20 10 CDCDHN CCCN1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028177 936794084 /nfs/dbraw/zinc/79/40/84/936794084.db2.gz DTONVMVSKNUBOV-UHFFFAOYSA-N 0 3 294.395 1.937 20 10 CDCDHN CCOc1ccc(O)c(CN(C)[C@@]2(CO)CCOC2)c1 ZINC000862427138 929414928 /nfs/dbraw/zinc/41/49/28/929414928.db2.gz UJFPKPFYVYLXQT-OAHLLOKOSA-N 0 3 281.352 1.374 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001275949861 932161874 /nfs/dbraw/zinc/16/18/74/932161874.db2.gz MCAJWQPEZYNYOT-INIZCTEOSA-N 0 3 292.379 1.394 20 10 CDCDHN CN1CCO[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001275949861 932161876 /nfs/dbraw/zinc/16/18/76/932161876.db2.gz MCAJWQPEZYNYOT-INIZCTEOSA-N 0 3 292.379 1.394 20 10 CDCDHN CCN(Cc1ccccc1O)c1cc2c(nn1)CCNC2 ZINC001154888939 937599845 /nfs/dbraw/zinc/59/98/45/937599845.db2.gz LEEWSRSMFNUZSJ-UHFFFAOYSA-N 0 3 284.363 1.854 20 10 CDCDHN O[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001138496001 934463914 /nfs/dbraw/zinc/46/39/14/934463914.db2.gz MHDQEUWJJBAPDU-HZPDHXFCSA-N 0 3 294.370 1.428 20 10 CDCDHN CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1[O-] ZINC000119123526 935726208 /nfs/dbraw/zinc/72/62/08/935726208.db2.gz VXUUGYCEFAWNFS-CYBMUJFWSA-N 0 3 262.353 1.959 20 10 CDCDHN [NH3+]C[C@]1(F)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001157765721 938543014 /nfs/dbraw/zinc/54/30/14/938543014.db2.gz UTAYBTARQRCSBS-AWEZNQCLSA-N 0 3 282.315 1.391 20 10 CDCDHN COc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001203629372 939697571 /nfs/dbraw/zinc/69/75/71/939697571.db2.gz YQDUABAFNCTGMT-WDBKCZKBSA-N 0 3 263.337 1.868 20 10 CDCDHN COc1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001203629372 939697573 /nfs/dbraw/zinc/69/75/73/939697573.db2.gz YQDUABAFNCTGMT-WDBKCZKBSA-N 0 3 263.337 1.868 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001203629960 939698487 /nfs/dbraw/zinc/69/84/87/939698487.db2.gz PCALZHNTZHIJEE-ZIAGYGMSSA-N 0 3 290.363 1.596 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001203629960 939698488 /nfs/dbraw/zinc/69/84/88/939698488.db2.gz PCALZHNTZHIJEE-ZIAGYGMSSA-N 0 3 290.363 1.596 20 10 CDCDHN COC(=O)CC[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203634534 939698976 /nfs/dbraw/zinc/69/89/76/939698976.db2.gz KUCCHWNXBGORBR-UHFFFAOYSA-N 0 3 253.298 1.396 20 10 CDCDHN COC(=O)CC[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203634534 939698977 /nfs/dbraw/zinc/69/89/77/939698977.db2.gz KUCCHWNXBGORBR-UHFFFAOYSA-N 0 3 253.298 1.396 20 10 CDCDHN C[C@H]1CCCN(Cc2ccc(O)c(O)c2)[C@@H]1CO ZINC001203874629 939710221 /nfs/dbraw/zinc/71/02/21/939710221.db2.gz AUZOIVLAQSKIAR-CMPLNLGQSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204275857 939750201 /nfs/dbraw/zinc/75/02/01/939750201.db2.gz CXHOQMNWYUUMKG-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204275857 939750202 /nfs/dbraw/zinc/75/02/02/939750202.db2.gz CXHOQMNWYUUMKG-ZWNOBZJWSA-N 0 3 251.326 1.691 20 10 CDCDHN COc1cc(CN2CC[C@@H](O)[C@@H](C)CC2)cc(O)c1O ZINC001204341760 939757291 /nfs/dbraw/zinc/75/72/91/939757291.db2.gz GDIHGNXFLZJUSM-CMPLNLGQSA-N 0 3 281.352 1.699 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000179470747 940826981 /nfs/dbraw/zinc/82/69/81/940826981.db2.gz NYXQOROPPYBVHU-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000179470747 940826984 /nfs/dbraw/zinc/82/69/84/940826984.db2.gz NYXQOROPPYBVHU-ZDUSSCGKSA-N 0 3 288.351 1.829 20 10 CDCDHN COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000400149484 940843358 /nfs/dbraw/zinc/84/33/58/940843358.db2.gz AUPPRQSYOKTQJK-CYBMUJFWSA-N 0 3 298.408 1.127 20 10 CDCDHN NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193147 942157222 /nfs/dbraw/zinc/15/72/22/942157222.db2.gz YVZDJQGYQQYEOK-CZUORRHYSA-N 0 3 290.363 1.575 20 10 CDCDHN NC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193147 942157223 /nfs/dbraw/zinc/15/72/23/942157223.db2.gz YVZDJQGYQQYEOK-CZUORRHYSA-N 0 3 290.363 1.575 20 10 CDCDHN Cc1cc(C)c(CN2CC[C@](F)(CO)C2)c(O)c1 ZINC001231843459 943025551 /nfs/dbraw/zinc/02/55/51/943025551.db2.gz ZLFUPBKTSAFMHO-CQSZACIVSA-N 0 3 253.317 1.915 20 10 CDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303545 943821921 /nfs/dbraw/zinc/82/19/21/943821921.db2.gz ACMXVNCVGDJXQZ-CZUORRHYSA-N 0 3 291.395 1.418 20 10 CDCDHN [NH3+][C@]12CC[C@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001235998694 944367394 /nfs/dbraw/zinc/36/73/94/944367394.db2.gz YZAIIOKUHAJEML-GWCFXTLKSA-N 0 3 252.745 1.969 20 10 CDCDHN CN1CCN(c2ccc(CN3CC(CO)C3)c(F)c2)CC1 ZINC001236934099 944618785 /nfs/dbraw/zinc/61/87/85/944618785.db2.gz CPBDZHKGWKPEON-UHFFFAOYSA-N 0 3 293.386 1.002 20 10 CDCDHN COCCN(CCOC)Cc1cc(F)cc(C)c1O ZINC001238055701 945043184 /nfs/dbraw/zinc/04/31/84/945043184.db2.gz BXSOZOTYJMYOIH-UHFFFAOYSA-N 0 3 271.332 1.935 20 10 CDCDHN Cc1cc(F)cc(CN2CC3(C2)CCN(C)C3=O)c1O ZINC001238067383 945049225 /nfs/dbraw/zinc/04/92/25/945049225.db2.gz SWLBSRBDNIZTSQ-UHFFFAOYSA-N 0 3 278.327 1.504 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC(C)(C)C ZINC001253692456 952039869 /nfs/dbraw/zinc/03/98/69/952039869.db2.gz XXXUDBJMEDMPHA-CQSZACIVSA-N 0 3 295.379 1.917 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC(C)(C)C ZINC001253692456 952039875 /nfs/dbraw/zinc/03/98/75/952039875.db2.gz XXXUDBJMEDMPHA-CQSZACIVSA-N 0 3 295.379 1.917 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CC3)C2=O)c1 ZINC001320609732 959272939 /nfs/dbraw/zinc/27/29/39/959272939.db2.gz JXVMIYVTHZZUTC-QMTHXVAHSA-N 0 3 290.363 1.815 20 10 CDCDHN CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001337834353 961455241 /nfs/dbraw/zinc/45/52/41/961455241.db2.gz QGIVAOVVADRMKL-CYBMUJFWSA-N 0 3 297.424 1.030 20 10 CDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483913 342429078 /nfs/dbraw/zinc/42/90/78/342429078.db2.gz ZVUCBPKWHATXGY-GASCZTMLSA-N 0 3 264.369 1.070 20 10 CDCDHN CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000274660483 365754484 /nfs/dbraw/zinc/75/44/84/365754484.db2.gz PHNNBENVYYSOFI-CQSZACIVSA-N 0 3 267.325 1.138 20 10 CDCDHN CCOC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000274660483 365754490 /nfs/dbraw/zinc/75/44/90/365754490.db2.gz PHNNBENVYYSOFI-CQSZACIVSA-N 0 3 267.325 1.138 20 10 CDCDHN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000072872250 345378671 /nfs/dbraw/zinc/37/86/71/345378671.db2.gz QWMXOJBFSPVVHO-ZIAGYGMSSA-N 0 3 289.423 1.957 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000180285785 357258987 /nfs/dbraw/zinc/25/89/87/357258987.db2.gz XNMHULLMGUXKJO-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(O)c(CN2CCC(C)(O)CC2)c1 ZINC000180285785 357258991 /nfs/dbraw/zinc/25/89/91/357258991.db2.gz XNMHULLMGUXKJO-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188729260 357931193 /nfs/dbraw/zinc/93/11/93/357931193.db2.gz FXEYXJHKFIVJCD-DZGCQCFKSA-N 0 3 293.386 1.849 20 10 CDCDHN CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000188856647 357945672 /nfs/dbraw/zinc/94/56/72/357945672.db2.gz HGPVDNMOAGYZLO-JTQLQIEISA-N 0 3 255.314 1.270 20 10 CDCDHN C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000192994953 358256286 /nfs/dbraw/zinc/25/62/86/358256286.db2.gz IHIJWOLEYFPOIR-JSGCOSHPSA-N 0 3 265.353 1.754 20 10 CDCDHN C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000192994953 358256289 /nfs/dbraw/zinc/25/62/89/358256289.db2.gz IHIJWOLEYFPOIR-JSGCOSHPSA-N 0 3 265.353 1.754 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000269892506 364371659 /nfs/dbraw/zinc/37/16/59/364371659.db2.gz CQYRFCGLUQMLLN-RDJZCZTQSA-N 0 3 287.359 1.966 20 10 CDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273558566 365508851 /nfs/dbraw/zinc/50/88/51/365508851.db2.gz HNCUWXHGSMCPAL-RYUDHWBXSA-N 0 3 253.342 1.667 20 10 CDCDHN COCCN(CCO)Cc1cc(Cl)cc(OC)c1O ZINC000184687665 262025807 /nfs/dbraw/zinc/02/58/07/262025807.db2.gz XNNJKDSKDYJWOC-UHFFFAOYSA-N 0 3 289.759 1.495 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCCNC(=O)C2)c([O-])c1 ZINC000877494388 784317706 /nfs/dbraw/zinc/31/77/06/784317706.db2.gz VRMDMRJVQUVYDE-NSHDSACASA-N 0 3 264.325 1.159 20 10 CDCDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185467270 262305160 /nfs/dbraw/zinc/30/51/60/262305160.db2.gz KUIUMFHEWBPUMN-ABAIWWIYSA-N 0 3 283.368 1.839 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933063 260052375 /nfs/dbraw/zinc/05/23/75/260052375.db2.gz PBIGFZKVTDMASS-QWHCGFSZSA-N 0 3 294.395 1.772 20 10 CDCDHN CCN(CC)CC(=O)NCc1cccc(OC)c1O ZINC000105651068 390515914 /nfs/dbraw/zinc/51/59/14/390515914.db2.gz FFXPFMWZUVMCST-UHFFFAOYSA-N 0 3 266.341 1.359 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCC[C@@H]1O)OCO2 ZINC000052002600 390965639 /nfs/dbraw/zinc/96/56/39/390965639.db2.gz ZKMZHYBDWOUEGQ-QWRGUYRKSA-N 0 3 265.309 1.514 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674532 391344013 /nfs/dbraw/zinc/34/40/13/391344013.db2.gz LVPQLTGFFHQNIK-OTYXRUKQSA-N 0 3 262.353 1.623 20 10 CDCDHN Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674532 391344017 /nfs/dbraw/zinc/34/40/17/391344017.db2.gz LVPQLTGFFHQNIK-OTYXRUKQSA-N 0 3 262.353 1.623 20 10 CDCDHN CCOc1cccc(C[NH2+]CCCOCCOC)c1[O-] ZINC000020192070 171058279 /nfs/dbraw/zinc/05/82/79/171058279.db2.gz NCKQRYQZXBIFCA-UHFFFAOYSA-N 0 3 283.368 1.934 20 10 CDCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]CCOCCO ZINC000020198975 171062829 /nfs/dbraw/zinc/06/28/29/171062829.db2.gz GLOOUJWMGSDPGS-NWDGAFQWSA-N 0 3 265.353 1.847 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933062 260052191 /nfs/dbraw/zinc/05/21/91/260052191.db2.gz PBIGFZKVTDMASS-OLZOCXBDSA-N 0 3 294.395 1.772 20 10 CDCDHN CC(C)CN(CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000092010930 260490466 /nfs/dbraw/zinc/49/04/66/260490466.db2.gz ZTIVBFOWTUMYHD-UHFFFAOYSA-N 0 3 263.385 1.696 20 10 CDCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000186596738 262101401 /nfs/dbraw/zinc/10/14/01/262101401.db2.gz AVZUVMVLSLTQHQ-ZDUSSCGKSA-N 0 3 295.402 1.647 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000184920983 262300251 /nfs/dbraw/zinc/30/02/51/262300251.db2.gz GQNBZROOVIHHQM-LLVKDONJSA-N 0 3 286.397 1.291 20 10 CDCDHN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818275 263009097 /nfs/dbraw/zinc/00/90/97/263009097.db2.gz FJGPBZRYVXKKNR-MFKMUULPSA-N 0 3 261.325 1.510 20 10 CDCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000297773034 279141352 /nfs/dbraw/zinc/14/13/52/279141352.db2.gz PFNUWXVWUBWUCQ-QWHCGFSZSA-N 0 3 284.363 1.884 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(O)c1O ZINC000272914739 328201628 /nfs/dbraw/zinc/20/16/28/328201628.db2.gz DNEFWWWWXSZIFO-WCQYABFASA-N 0 3 290.363 1.572 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218371 327190003 /nfs/dbraw/zinc/19/00/03/327190003.db2.gz FIVFFBYWGXQOFZ-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218371 327190005 /nfs/dbraw/zinc/19/00/05/327190005.db2.gz FIVFFBYWGXQOFZ-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000134230817 329657970 /nfs/dbraw/zinc/65/79/70/329657970.db2.gz REPUGCCIHDYZQO-QWRGUYRKSA-N 0 3 250.342 1.785 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCCOCCO)c1[O-] ZINC000230935735 333322653 /nfs/dbraw/zinc/32/26/53/333322653.db2.gz KDUKPHKADCGZKW-UHFFFAOYSA-N 0 3 289.759 1.543 20 10 CDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000292469642 519796122 /nfs/dbraw/zinc/79/61/22/519796122.db2.gz MRMBSBADUYBABU-OAHLLOKOSA-N 0 3 275.396 1.886 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000188501279 520201561 /nfs/dbraw/zinc/20/15/61/520201561.db2.gz UDTAXLMLRLNFGU-WDEREUQCSA-N 0 3 280.368 1.918 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280315864 521150866 /nfs/dbraw/zinc/15/08/66/521150866.db2.gz OVFQZDCUUMITDZ-GXTWGEPZSA-N 0 3 295.379 1.526 20 10 CDCDHN CCOc1cccc(C[NH2+]CCN(C)CCOC)c1[O-] ZINC000061375400 521362839 /nfs/dbraw/zinc/36/28/39/521362839.db2.gz HLEWEOBZWVFPPP-UHFFFAOYSA-N 0 3 282.384 1.459 20 10 CDCDHN CCOc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278493219 521373192 /nfs/dbraw/zinc/37/31/92/521373192.db2.gz LTBQDLKWMNQDIY-HNNXBMFYSA-N 0 3 281.352 1.422 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276860665 522180568 /nfs/dbraw/zinc/18/05/68/522180568.db2.gz WURJICULMPCDII-MRXNPFEDSA-N 0 3 287.407 1.949 20 10 CDCDHN COCCO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000275627312 524036915 /nfs/dbraw/zinc/03/69/15/524036915.db2.gz SSRUISICRREGPW-LBPRGKRZSA-N 0 3 295.335 1.358 20 10 CDCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000096810811 524615117 /nfs/dbraw/zinc/61/51/17/524615117.db2.gz HYWFUKMJXCKDAP-JTQLQIEISA-N 0 3 265.309 1.732 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2C)c1 ZINC000071333078 524765522 /nfs/dbraw/zinc/76/55/22/524765522.db2.gz VFTPVXRAVVAVNZ-SNVBAGLBSA-N 0 3 261.325 1.985 20 10 CDCDHN C[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000129559011 525308836 /nfs/dbraw/zinc/30/88/36/525308836.db2.gz RXDVZDYVTWPAFX-AWEZNQCLSA-N 0 3 265.309 1.468 20 10 CDCDHN C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000129559011 525308841 /nfs/dbraw/zinc/30/88/41/525308841.db2.gz RXDVZDYVTWPAFX-AWEZNQCLSA-N 0 3 265.309 1.468 20 10 CDCDHN C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000129559011 525308843 /nfs/dbraw/zinc/30/88/43/525308843.db2.gz RXDVZDYVTWPAFX-AWEZNQCLSA-N 0 3 265.309 1.468 20 10 CDCDHN OCCOCCNCc1ccc(N2CCCCC2)cc1 ZINC000020199155 527557041 /nfs/dbraw/zinc/55/70/41/527557041.db2.gz NCAGXFUMKZEWJA-UHFFFAOYSA-N 0 3 278.396 1.775 20 10 CDCDHN [O-]c1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291351930 527620625 /nfs/dbraw/zinc/62/06/25/527620625.db2.gz XJJNDWORWUKBJK-LLVKDONJSA-N 0 3 257.280 1.842 20 10 CDCDHN [O-]c1ccccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291351930 527620628 /nfs/dbraw/zinc/62/06/28/527620628.db2.gz XJJNDWORWUKBJK-LLVKDONJSA-N 0 3 257.280 1.842 20 10 CDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000769537622 575357748 /nfs/dbraw/zinc/35/77/48/575357748.db2.gz NBIUOSCPOFYTBN-UHFFFAOYSA-N 0 3 295.379 1.764 20 10 CDCDHN CN(CC[N@H+](C)C1CC1)C(=O)c1cc([O-])cs1 ZINC000771742131 575607452 /nfs/dbraw/zinc/60/74/52/575607452.db2.gz APCKLWKPIRPVSD-UHFFFAOYSA-N 0 3 254.355 1.620 20 10 CDCDHN CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([O-])cs1 ZINC000771742131 575607456 /nfs/dbraw/zinc/60/74/56/575607456.db2.gz APCKLWKPIRPVSD-UHFFFAOYSA-N 0 3 254.355 1.620 20 10 CDCDHN CCOCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450113 576284586 /nfs/dbraw/zinc/28/45/86/576284586.db2.gz IDIXZHZGUNUVQA-AWEZNQCLSA-N 0 3 281.352 1.676 20 10 CDCDHN CCOCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450113 576284589 /nfs/dbraw/zinc/28/45/89/576284589.db2.gz IDIXZHZGUNUVQA-AWEZNQCLSA-N 0 3 281.352 1.676 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769304738 576344179 /nfs/dbraw/zinc/34/41/79/576344179.db2.gz DDLPFDOJKGJPFS-GFCCVEGCSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769304738 576344180 /nfs/dbraw/zinc/34/41/80/576344180.db2.gz DDLPFDOJKGJPFS-GFCCVEGCSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757657726 577048735 /nfs/dbraw/zinc/04/87/35/577048735.db2.gz FSUHJXKGYHPCJV-IAQYHMDHSA-N 0 3 295.379 1.839 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCOC(C)C)cc1OC ZINC000757977148 577064798 /nfs/dbraw/zinc/06/47/98/577064798.db2.gz FRWOHVDELKHIFP-UHFFFAOYSA-N 0 3 269.341 1.924 20 10 CDCDHN CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000126099085 1175432840 /nfs/dbraw/zinc/43/28/40/1175432840.db2.gz FJWJLJUZSUESKM-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN COCCN(CCOC)Cc1ccc(OC)c(OC)c1O ZINC000891451551 617413810 /nfs/dbraw/zinc/41/38/10/617413810.db2.gz XDBJZVVBRYLFLA-UHFFFAOYSA-N 0 3 299.367 1.504 20 10 CDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892792204 617752876 /nfs/dbraw/zinc/75/28/76/617752876.db2.gz RJGAULLTXAKTLR-CMPLNLGQSA-N 0 3 269.366 1.305 20 10 CDCDHN C[C@H](CCNCc1cc([N+](=O)[O-])ccc1[O-])[NH+](C)C ZINC000895297447 619529543 /nfs/dbraw/zinc/52/95/43/619529543.db2.gz MGIFAPBYZIRMLZ-SNVBAGLBSA-N 0 3 267.329 1.730 20 10 CDCDHN COc1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1C ZINC000895315558 619545009 /nfs/dbraw/zinc/54/50/09/619545009.db2.gz BNBGRNDXWNCHMT-CYBMUJFWSA-N 0 3 262.353 1.618 20 10 CDCDHN CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000895317503 619549512 /nfs/dbraw/zinc/54/95/12/619549512.db2.gz WRMHTDCFSDEWEM-LLVKDONJSA-N 0 3 252.289 1.146 20 10 CDCDHN CC[N@H+](CCC(N)=O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000896712676 620209933 /nfs/dbraw/zinc/20/99/33/620209933.db2.gz SSKPHDMMSZQPMV-UHFFFAOYSA-N 0 3 286.759 1.752 20 10 CDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000896712676 620209935 /nfs/dbraw/zinc/20/99/35/620209935.db2.gz SSKPHDMMSZQPMV-UHFFFAOYSA-N 0 3 286.759 1.752 20 10 CDCDHN O=C1NCCC2(CC[NH+](Cc3ccccc3[O-])CC2)O1 ZINC000897018188 620347869 /nfs/dbraw/zinc/34/78/69/620347869.db2.gz HZHOVVPDLYWPBN-UHFFFAOYSA-N 0 3 276.336 1.857 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCOCC(F)F ZINC000788077651 633070438 /nfs/dbraw/zinc/07/04/38/633070438.db2.gz PHFQERKOIYBLGA-UHFFFAOYSA-N 0 3 261.268 1.772 20 10 CDCDHN O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580707631 1172518794 /nfs/dbraw/zinc/51/87/94/1172518794.db2.gz DACAXEPRHWSSFD-IGJMFERPSA-N 0 3 264.300 1.003 20 10 CDCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000830865547 790301600 /nfs/dbraw/zinc/30/16/00/790301600.db2.gz NYVJCDMIACWOTR-UKRRQHHQSA-N 0 3 292.379 1.108 20 10 CDCDHN CN(C)c1ccc(CNC(=O)CN(C)CC2CC2)cc1 ZINC000049238084 790332694 /nfs/dbraw/zinc/33/26/94/790332694.db2.gz ODYPPFUZBQLRPB-UHFFFAOYSA-N 0 3 275.396 1.711 20 10 CDCDHN CCc1cccc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000848903516 791098197 /nfs/dbraw/zinc/09/81/97/791098197.db2.gz VDADJXZTWUVVJZ-CYBMUJFWSA-N 0 3 298.408 1.208 20 10 CDCDHN CCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000036780407 789925016 /nfs/dbraw/zinc/92/50/16/789925016.db2.gz YICHPMSMSZLPRB-VIFPVBQESA-N 0 3 252.314 1.188 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000809785606 790024651 /nfs/dbraw/zinc/02/46/51/790024651.db2.gz WPGOFANBQOFBDE-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000809785606 790024655 /nfs/dbraw/zinc/02/46/55/790024655.db2.gz WPGOFANBQOFBDE-LLVKDONJSA-N 0 3 278.352 1.488 20 10 CDCDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000825104155 791397145 /nfs/dbraw/zinc/39/71/45/791397145.db2.gz PRJFGGJFERGCBD-QMTHXVAHSA-N 0 3 252.333 1.847 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccco1 ZINC000305241776 791562286 /nfs/dbraw/zinc/56/22/86/791562286.db2.gz RQMUKXNBQPDZEM-CQSZACIVSA-N 0 3 291.347 1.995 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccco1 ZINC000305241776 791562300 /nfs/dbraw/zinc/56/23/00/791562300.db2.gz RQMUKXNBQPDZEM-CQSZACIVSA-N 0 3 291.347 1.995 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418981 791825772 /nfs/dbraw/zinc/82/57/72/791825772.db2.gz NHULMPAIKBGWKQ-LLVKDONJSA-N 0 3 277.303 1.013 20 10 CDCDHN C[C@@H]([NH2+]CCN)c1ccc(Br)cc1[O-] ZINC000817934965 791843909 /nfs/dbraw/zinc/84/39/09/791843909.db2.gz ROVMBJSGZXZTPV-SSDOTTSWSA-N 0 3 259.147 1.764 20 10 CDCDHN CCOc1ccc(C[NH2+]C2CCN(OC)CC2)c([O-])c1 ZINC000817419886 791882795 /nfs/dbraw/zinc/88/27/95/791882795.db2.gz ZAYUGMUJQUBTHM-UHFFFAOYSA-N 0 3 280.368 1.906 20 10 CDCDHN CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000837174001 792604253 /nfs/dbraw/zinc/60/42/53/792604253.db2.gz BFQABZFHWIZGLN-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN CC1(C)CCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000837174001 792604274 /nfs/dbraw/zinc/60/42/74/792604274.db2.gz BFQABZFHWIZGLN-UHFFFAOYSA-N 0 3 278.352 1.702 20 10 CDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCNC2=O)cc1F ZINC000858177403 792817587 /nfs/dbraw/zinc/81/75/87/792817587.db2.gz KMUGWXNIMUVCCB-JTQLQIEISA-N 0 3 297.349 1.647 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCS(=O)(=O)C1 ZINC000775393415 792898242 /nfs/dbraw/zinc/89/82/42/792898242.db2.gz LXJFINAZHFAXCB-CQSZACIVSA-N 0 3 296.436 1.728 20 10 CDCDHN O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000848351918 792938574 /nfs/dbraw/zinc/93/85/74/792938574.db2.gz HOGUABJKHXNAPI-STQMWFEESA-N 0 3 290.363 1.845 20 10 CDCDHN O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000848351918 792938601 /nfs/dbraw/zinc/93/86/01/792938601.db2.gz HOGUABJKHXNAPI-STQMWFEESA-N 0 3 290.363 1.845 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC2CC2)c1 ZINC000884309989 793174549 /nfs/dbraw/zinc/17/45/49/793174549.db2.gz LMSSOIXJSWMNHM-TVQRCGJNSA-N 0 3 278.352 1.705 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000794815405 793854680 /nfs/dbraw/zinc/85/46/80/793854680.db2.gz KKNJLSHHRQGPBH-HIFRSBDPSA-N 0 3 265.353 1.893 20 10 CDCDHN CC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000050899524 794147310 /nfs/dbraw/zinc/14/73/10/794147310.db2.gz IAWPQJGWZRCYLN-UHFFFAOYSA-N 0 3 292.335 1.221 20 10 CDCDHN COCCOC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877066364 794888800 /nfs/dbraw/zinc/88/88/00/794888800.db2.gz KCSMFDHJGKIDOJ-LBPRGKRZSA-N 0 3 253.342 1.842 20 10 CDCDHN CC[NH2+]CCNCc1cccc(Br)c1[O-] ZINC000841037778 794981396 /nfs/dbraw/zinc/98/13/96/794981396.db2.gz VPJMNOFHKBMGOR-UHFFFAOYSA-N 0 3 273.174 1.854 20 10 CDCDHN CCNCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000841037778 794981407 /nfs/dbraw/zinc/98/14/07/794981407.db2.gz VPJMNOFHKBMGOR-UHFFFAOYSA-N 0 3 273.174 1.854 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(C2CC2)C1 ZINC000779499312 795026428 /nfs/dbraw/zinc/02/64/28/795026428.db2.gz MVHQIPPQHAQEOG-QSLRECBCSA-N 0 3 288.347 1.464 20 10 CDCDHN CNC(=O)CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000821387144 795301788 /nfs/dbraw/zinc/30/17/88/795301788.db2.gz QIZQHSOYMACRJI-UHFFFAOYSA-N 0 3 291.395 1.343 20 10 CDCDHN C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1[O-] ZINC000162315094 795353333 /nfs/dbraw/zinc/35/33/33/795353333.db2.gz AQUSHMXLSGQEQH-LLVKDONJSA-N 0 3 251.326 1.584 20 10 CDCDHN COc1ccc(CNC(=O)CN(C)C(C)C)c(O)c1 ZINC000794371191 795582931 /nfs/dbraw/zinc/58/29/31/795582931.db2.gz YFHQJBGSVRSCGI-UHFFFAOYSA-N 0 3 266.341 1.357 20 10 CDCDHN C[C@H]1CN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000834567216 795704793 /nfs/dbraw/zinc/70/47/93/795704793.db2.gz ZTCFWUZVSKIQEC-GXTWGEPZSA-N 0 3 276.380 1.690 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C)c1[O-] ZINC000712541918 795773592 /nfs/dbraw/zinc/77/35/92/795773592.db2.gz GVPLJCDYNNPOLS-LLVKDONJSA-N 0 3 270.760 1.848 20 10 CDCDHN C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000135719706 795822167 /nfs/dbraw/zinc/82/21/67/795822167.db2.gz KICODQMQMGOUGQ-GFCCVEGCSA-N 0 3 278.352 1.292 20 10 CDCDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCC(=O)N1 ZINC000835061727 796062506 /nfs/dbraw/zinc/06/25/06/796062506.db2.gz VKWDMXGUOXSUFB-ZDUSSCGKSA-N 0 3 252.289 1.290 20 10 CDCDHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000866418888 796322911 /nfs/dbraw/zinc/32/29/11/796322911.db2.gz XLONPFJBMSXHSQ-HONMWMINSA-N 0 3 250.342 1.163 20 10 CDCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173741326 912772369 /nfs/dbraw/zinc/77/23/69/912772369.db2.gz WLQFBCKWHZXANJ-VXGBXAGGSA-N 0 3 289.339 1.358 20 10 CDCDHN O=C(Cc1c[nH]cn1)N1CCc2cccc(O)c2C1 ZINC001176831019 914287284 /nfs/dbraw/zinc/28/72/84/914287284.db2.gz KJOBTFOFQRHAAQ-UHFFFAOYSA-N 0 3 257.293 1.243 20 10 CDCDHN COc1cc(C)c(CN2CCCN(C(C)=O)CC2)c(O)c1 ZINC001180462306 916393966 /nfs/dbraw/zinc/39/39/66/916393966.db2.gz IBSZOPAYMNOETM-UHFFFAOYSA-N 0 3 292.379 1.763 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001204277328 916570920 /nfs/dbraw/zinc/57/09/20/916570920.db2.gz ZMPKXOREMKVUST-VXGBXAGGSA-N 0 3 255.289 1.393 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001204277328 916570932 /nfs/dbraw/zinc/57/09/32/916570932.db2.gz ZMPKXOREMKVUST-VXGBXAGGSA-N 0 3 255.289 1.393 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2ccc(O)c(C)c2O)CCCO1 ZINC001140749955 936750230 /nfs/dbraw/zinc/75/02/30/936750230.db2.gz PIGDSTJWZJZBOO-ZDUSSCGKSA-N 0 3 295.335 1.170 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141030530 936794977 /nfs/dbraw/zinc/79/49/77/936794977.db2.gz AJXAZXQIZBNYER-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141030530 936794979 /nfs/dbraw/zinc/79/49/79/936794979.db2.gz AJXAZXQIZBNYER-NSHDSACASA-N 0 3 281.352 1.878 20 10 CDCDHN CC[N@H+](CCC(N)=O)Cc1c([O-])cc(OC)cc1OC ZINC001141028239 936794229 /nfs/dbraw/zinc/79/42/29/936794229.db2.gz HDFPJXGCBPBORL-UHFFFAOYSA-N 0 3 282.340 1.107 20 10 CDCDHN CC[N@@H+](CCC(N)=O)Cc1c([O-])cc(OC)cc1OC ZINC001141028239 936794230 /nfs/dbraw/zinc/79/42/30/936794230.db2.gz HDFPJXGCBPBORL-UHFFFAOYSA-N 0 3 282.340 1.107 20 10 CDCDHN Oc1ccc(O)c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC001141161493 936822839 /nfs/dbraw/zinc/82/28/39/936822839.db2.gz FSMDWEXHGQFASZ-LBPRGKRZSA-N 0 3 274.324 1.526 20 10 CDCDHN NCc1ccc2c(n1)N(C(=O)C=Cc1c[nH]cn1)CCC2 ZINC001142276396 936998811 /nfs/dbraw/zinc/99/88/11/936998811.db2.gz PEPOFJRMTVRTJH-AATRIKPKSA-N 0 3 283.335 1.256 20 10 CDCDHN CCNC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850009907 927354857 /nfs/dbraw/zinc/35/48/57/927354857.db2.gz SYDHNWNEDYVMSZ-UHFFFAOYSA-N 0 3 294.395 1.924 20 10 CDCDHN [NH3+]C[C@@]1(F)CCCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001157765348 938543064 /nfs/dbraw/zinc/54/30/64/938543064.db2.gz REUFPGWIIFMKMJ-CQSZACIVSA-N 0 3 298.314 1.097 20 10 CDCDHN NC(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278255752 945217859 /nfs/dbraw/zinc/21/78/59/945217859.db2.gz XTMJFHAIEFTDQV-UHFFFAOYSA-N 0 3 250.273 1.029 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203556349 939693286 /nfs/dbraw/zinc/69/32/86/939693286.db2.gz NHLNGCVWXMLURJ-CYBMUJFWSA-N 0 3 262.353 1.692 20 10 CDCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556349 939693287 /nfs/dbraw/zinc/69/32/87/939693287.db2.gz NHLNGCVWXMLURJ-CYBMUJFWSA-N 0 3 262.353 1.692 20 10 CDCDHN COc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001203621564 939697299 /nfs/dbraw/zinc/69/72/99/939697299.db2.gz XLSZJOYCKKRPQZ-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001203621564 939697300 /nfs/dbraw/zinc/69/73/00/939697300.db2.gz XLSZJOYCKKRPQZ-GFCCVEGCSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001203627448 939697712 /nfs/dbraw/zinc/69/77/12/939697712.db2.gz FCWGKNQAAWQVNH-UHFFFAOYSA-N 0 3 262.353 1.681 20 10 CDCDHN C[C@]1(O)CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875559 939710563 /nfs/dbraw/zinc/71/05/63/939710563.db2.gz PWRAVNGETOHHNO-AWEZNQCLSA-N 0 3 251.326 1.835 20 10 CDCDHN CCN(CCC(=O)OC)Cc1ccc(O)c(O)c1 ZINC001203881914 939711285 /nfs/dbraw/zinc/71/12/85/939711285.db2.gz XZWKHDRQYSOENB-UHFFFAOYSA-N 0 3 253.298 1.483 20 10 CDCDHN [O-]c1cccc2c1C[N@H+](CCCC1OCCO1)CC2 ZINC001209310494 940459125 /nfs/dbraw/zinc/45/91/25/940459125.db2.gz OUXCFEXFGIKYFM-UHFFFAOYSA-N 0 3 263.337 1.903 20 10 CDCDHN [O-]c1cccc2c1C[N@@H+](CCCC1OCCO1)CC2 ZINC001209310494 940459127 /nfs/dbraw/zinc/45/91/27/940459127.db2.gz OUXCFEXFGIKYFM-UHFFFAOYSA-N 0 3 263.337 1.903 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000400170747 940844026 /nfs/dbraw/zinc/84/40/26/940844026.db2.gz KPAYRHARRNQMMV-DGCLKSJQSA-N 0 3 298.408 1.467 20 10 CDCDHN COc1cc(CN2CC([C@H](C)OC)C2)c(O)cc1O ZINC001231638432 942951774 /nfs/dbraw/zinc/95/17/74/942951774.db2.gz BBQOJVSRYIJFLG-VIFPVBQESA-N 0 3 267.325 1.573 20 10 CDCDHN CC(C)(C)c1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 ZINC001233284242 943532404 /nfs/dbraw/zinc/53/24/04/943532404.db2.gz NGFVNFXJNLCQFQ-AWEZNQCLSA-N 0 3 279.380 1.883 20 10 CDCDHN Oc1cc(O)c(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1O ZINC001233482772 943591135 /nfs/dbraw/zinc/59/11/35/943591135.db2.gz BLLBUZSCGYUSJZ-ZUZCIYMTSA-N 0 3 279.336 1.804 20 10 CDCDHN C[C@@H]1C[C@H](O)CCN1Cc1cc(O)c(O)cc1O ZINC001233485927 943594162 /nfs/dbraw/zinc/59/41/62/943594162.db2.gz QLWFPBSRNSYAFN-PSASIEDQSA-N 0 3 253.298 1.149 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234986623 943996644 /nfs/dbraw/zinc/99/66/44/943996644.db2.gz KTSKHZSEZKDHDQ-AWEZNQCLSA-N 0 3 281.787 1.183 20 10 CDCDHN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])C[C@H](O)CO ZINC001235003707 944004822 /nfs/dbraw/zinc/00/48/22/944004822.db2.gz XDTIWOAXZHEOFS-HNNXBMFYSA-N 0 3 287.359 1.844 20 10 CDCDHN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])C[C@H](O)CO ZINC001235003707 944004833 /nfs/dbraw/zinc/00/48/33/944004833.db2.gz XDTIWOAXZHEOFS-HNNXBMFYSA-N 0 3 287.359 1.844 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001236809209 944576039 /nfs/dbraw/zinc/57/60/39/944576039.db2.gz USRWELSJDRZIQT-JQWIXIFHSA-N 0 3 265.353 1.912 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001236809209 944576051 /nfs/dbraw/zinc/57/60/51/944576051.db2.gz USRWELSJDRZIQT-JQWIXIFHSA-N 0 3 265.353 1.912 20 10 CDCDHN COCCN(C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236933690 944617851 /nfs/dbraw/zinc/61/78/51/944617851.db2.gz ZMFMWRCAQQOCSM-UHFFFAOYSA-N 0 3 295.402 1.656 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001237049835 944647726 /nfs/dbraw/zinc/64/77/26/944647726.db2.gz LSWLRMNHOOJQNU-INIZCTEOSA-N 0 3 290.363 1.503 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001237049835 944647732 /nfs/dbraw/zinc/64/77/32/944647732.db2.gz LSWLRMNHOOJQNU-INIZCTEOSA-N 0 3 290.363 1.503 20 10 CDCDHN Cc1cccc(O)c1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001237484315 944811995 /nfs/dbraw/zinc/81/19/95/944811995.db2.gz BHPBCZDJYOLVBQ-IVMMDQJWSA-N 0 3 277.364 1.672 20 10 CDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001256015568 948158229 /nfs/dbraw/zinc/15/82/29/948158229.db2.gz BGZFXGIZPZNJDP-NSHDSACASA-N 0 3 280.324 1.418 20 10 CDCDHN CN(Cc1ccccc1O)Cc1cccc(=O)n1C ZINC001248808625 949175805 /nfs/dbraw/zinc/17/58/05/949175805.db2.gz NGOKZCTVXAGDQT-UHFFFAOYSA-N 0 3 258.321 1.723 20 10 CDCDHN CCOC(=O)C[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253808269 952130312 /nfs/dbraw/zinc/13/03/12/952130312.db2.gz VSOLINSTKGBJEU-ZDUSSCGKSA-N 0 3 279.336 1.025 20 10 CDCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(C)c(C)cc1O ZINC001326990133 954651131 /nfs/dbraw/zinc/65/11/31/954651131.db2.gz DDZMUIOPHXYEEB-CQSZACIVSA-N 0 3 292.379 1.346 20 10 CDCDHN COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2CO)c([O-])c1 ZINC001308766535 956578596 /nfs/dbraw/zinc/57/85/96/956578596.db2.gz NZRRRBQJQUQDDB-BXUZGUMPSA-N 0 3 265.353 1.960 20 10 CDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)CNC1CC1 ZINC000154677118 342163884 /nfs/dbraw/zinc/16/38/84/342163884.db2.gz WOQPJUIKMWCEBK-UHFFFAOYSA-N 0 3 275.352 1.230 20 10 CDCDHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801152 356537085 /nfs/dbraw/zinc/53/70/85/356537085.db2.gz GRALFOZJMNNENB-CQSZACIVSA-N 0 3 263.385 1.694 20 10 CDCDHN Cc1nc2n(n1)C[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069922840 356832273 /nfs/dbraw/zinc/83/22/73/356832273.db2.gz ZRCRSEZERFSNMI-CQSZACIVSA-N 0 3 284.363 1.626 20 10 CDCDHN C[N@H+](CCCO)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180155654 357246826 /nfs/dbraw/zinc/24/68/26/357246826.db2.gz JCIHNVSBDRZNKO-UHFFFAOYSA-N 0 3 296.386 1.810 20 10 CDCDHN C[N@@H+](CCCO)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180155654 357246831 /nfs/dbraw/zinc/24/68/31/357246831.db2.gz JCIHNVSBDRZNKO-UHFFFAOYSA-N 0 3 296.386 1.810 20 10 CDCDHN COC(=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000188678516 357925893 /nfs/dbraw/zinc/92/58/93/357925893.db2.gz LYQGTFLPJVLOQU-UHFFFAOYSA-N 0 3 261.321 1.664 20 10 CDCDHN CN(C)c1ccc(CN[C@@H](C(N)=O)C(C)(C)C)cc1 ZINC000188521626 357907064 /nfs/dbraw/zinc/90/70/64/357907064.db2.gz KCXKRXAUQCQBSA-ZDUSSCGKSA-N 0 3 263.385 1.742 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000188825966 357941148 /nfs/dbraw/zinc/94/11/48/357941148.db2.gz MDZLIVOWKDLYED-CYBMUJFWSA-N 0 3 251.326 1.630 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000188825966 357941154 /nfs/dbraw/zinc/94/11/54/357941154.db2.gz MDZLIVOWKDLYED-CYBMUJFWSA-N 0 3 251.326 1.630 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)CC)c1 ZINC000188894676 357949940 /nfs/dbraw/zinc/94/99/40/357949940.db2.gz WKHVKLBDTZVTRN-NSHDSACASA-N 0 3 280.368 1.747 20 10 CDCDHN C[NH+]1CCC2(CCCN2C(=O)c2cccc(O)c2[O-])CC1 ZINC000365584419 359566201 /nfs/dbraw/zinc/56/62/01/359566201.db2.gz FKYALSMGAGPZIB-UHFFFAOYSA-N 0 3 290.363 1.798 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000230663253 360336358 /nfs/dbraw/zinc/33/63/58/360336358.db2.gz YYMAIIZEZUQQON-NEPJUHHUSA-N 0 3 253.342 1.749 20 10 CDCDHN COCCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293546626 370681618 /nfs/dbraw/zinc/68/16/18/370681618.db2.gz QUCDUEOQZPYIND-UHFFFAOYSA-N 0 3 291.439 1.825 20 10 CDCDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271216719 364976160 /nfs/dbraw/zinc/97/61/60/364976160.db2.gz NIRGQSPPMKODKD-NSHDSACASA-N 0 3 281.375 1.706 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1O ZINC000271238502 364978020 /nfs/dbraw/zinc/97/80/20/364978020.db2.gz BQEXJORRLDADAF-BXKDBHETSA-N 0 3 265.309 1.324 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1O ZINC000271238502 364978024 /nfs/dbraw/zinc/97/80/24/364978024.db2.gz BQEXJORRLDADAF-BXKDBHETSA-N 0 3 265.309 1.324 20 10 CDCDHN CCn1cc(CNCc2cc(OC)c(OC)cc2O)cn1 ZINC000271850056 365000592 /nfs/dbraw/zinc/00/05/92/365000592.db2.gz SSLCVGPBYMXLSB-UHFFFAOYSA-N 0 3 291.351 1.916 20 10 CDCDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000273371041 365489787 /nfs/dbraw/zinc/48/97/87/365489787.db2.gz CKMOZWBKFUUMPA-DGCLKSJQSA-N 0 3 282.359 1.903 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)NC23CCC3)c1 ZINC000282969297 368127365 /nfs/dbraw/zinc/12/73/65/368127365.db2.gz INATZLKAVGKRFX-AWEZNQCLSA-N 0 3 290.363 1.692 20 10 CDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C)C2)c1 ZINC000273579557 371168687 /nfs/dbraw/zinc/16/86/87/371168687.db2.gz MIIBRMUUGMCVBX-ZJUUUORDSA-N 0 3 264.325 1.282 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273579557 371168692 /nfs/dbraw/zinc/16/86/92/371168692.db2.gz MIIBRMUUGMCVBX-ZJUUUORDSA-N 0 3 264.325 1.282 20 10 CDCDHN C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296189302 371413030 /nfs/dbraw/zinc/41/30/30/371413030.db2.gz YKZMHUYHMBHEFV-DGCLKSJQSA-N 0 3 274.364 1.980 20 10 CDCDHN O[C@@H]1COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294887961 378654875 /nfs/dbraw/zinc/65/48/75/378654875.db2.gz WGSSGXMNWJVORO-KRWDZBQOSA-N 0 3 290.407 1.870 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000296540038 378737342 /nfs/dbraw/zinc/73/73/42/378737342.db2.gz QWZBSWOEURSSRN-GHMZBOCLSA-N 0 3 286.397 1.371 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000120766097 390875844 /nfs/dbraw/zinc/87/58/44/390875844.db2.gz JUETXFZFYHBGMJ-CQSZACIVSA-N 0 3 295.379 1.381 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000120766097 390875845 /nfs/dbraw/zinc/87/58/45/390875845.db2.gz JUETXFZFYHBGMJ-CQSZACIVSA-N 0 3 295.379 1.381 20 10 CDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1[O-] ZINC000373738391 391130301 /nfs/dbraw/zinc/13/03/01/391130301.db2.gz OUOLCIRVARQHHR-UBHSHLNASA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1[O-] ZINC000373738391 391130306 /nfs/dbraw/zinc/13/03/06/391130306.db2.gz OUOLCIRVARQHHR-UBHSHLNASA-N 0 3 274.364 1.786 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000193679887 391344108 /nfs/dbraw/zinc/34/41/08/391344108.db2.gz XIFZEAFHFHLCCD-XHDPSFHLSA-N 0 3 292.379 1.795 20 10 CDCDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccccc1[O-] ZINC000281917017 391426322 /nfs/dbraw/zinc/42/63/22/391426322.db2.gz AHFYRFLAICGNTD-ZYHUDNBSSA-N 0 3 268.332 1.907 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)N(C)C)c1 ZINC000020126031 171009969 /nfs/dbraw/zinc/00/99/69/171009969.db2.gz HBIFFBOAMQYYMG-UHFFFAOYSA-N 0 3 252.358 1.831 20 10 CDCDHN CNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000042560490 174795836 /nfs/dbraw/zinc/79/58/36/174795836.db2.gz ZGQRLVWUWQBCEK-BDAKNGLRSA-N 0 3 252.314 1.186 20 10 CDCDHN CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000071407886 176156345 /nfs/dbraw/zinc/15/63/45/176156345.db2.gz ISSGVSLPHQQULQ-UHFFFAOYSA-N 0 3 262.353 1.801 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186202521 224722331 /nfs/dbraw/zinc/72/23/31/224722331.db2.gz HJENLGGFOLCSLP-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1[O-] ZINC000183671755 261984234 /nfs/dbraw/zinc/98/42/34/261984234.db2.gz UWGWSHWAWWLUFN-STQMWFEESA-N 0 3 293.363 1.965 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1C ZINC000278566679 263049222 /nfs/dbraw/zinc/04/92/22/263049222.db2.gz DCMAWTIOJARLPY-WFASDCNBSA-N 0 3 265.353 1.639 20 10 CDCDHN CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccccc1[O-] ZINC000281711814 288063995 /nfs/dbraw/zinc/06/39/95/288063995.db2.gz UAZLHSFMKHKGLD-YPMHNXCESA-N 0 3 253.342 1.830 20 10 CDCDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(O)c1O ZINC000272914741 328201638 /nfs/dbraw/zinc/20/16/38/328201638.db2.gz DNEFWWWWXSZIFO-YPMHNXCESA-N 0 3 290.363 1.572 20 10 CDCDHN CS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226606769 329262195 /nfs/dbraw/zinc/26/21/95/329262195.db2.gz NMLFSSKTLYRYBS-UHFFFAOYSA-N 0 3 261.318 1.056 20 10 CDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NC(C)(C)C ZINC000226586534 333265778 /nfs/dbraw/zinc/26/57/78/333265778.db2.gz WPSDGLPXTJRYMJ-SECBINFHSA-N 0 3 268.332 1.924 20 10 CDCDHN CCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262585 519879926 /nfs/dbraw/zinc/87/99/26/519879926.db2.gz BGRXDYRKCAXXBJ-LBPRGKRZSA-N 0 3 263.385 1.929 20 10 CDCDHN CCC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000266063068 519846891 /nfs/dbraw/zinc/84/68/91/519846891.db2.gz GQVALCNTXKZHJC-UHFFFAOYSA-N 0 3 279.336 1.858 20 10 CDCDHN CCOc1cccc(CNCC(=O)NC2CC2)c1O ZINC000036782405 521359509 /nfs/dbraw/zinc/35/95/09/521359509.db2.gz XPNKPPJTSYPPRI-UHFFFAOYSA-N 0 3 264.325 1.159 20 10 CDCDHN CCOc1cccc(C[NH2+]CCn2ccnc2)c1[O-] ZINC000041119112 521364716 /nfs/dbraw/zinc/36/47/16/521364716.db2.gz KGPGEGPPZBDOSV-UHFFFAOYSA-N 0 3 261.325 1.777 20 10 CDCDHN CCN1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1 ZINC000036796783 521552775 /nfs/dbraw/zinc/55/27/75/521552775.db2.gz MSXJEKRZZXPNCK-UHFFFAOYSA-N 0 3 275.396 1.754 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367704871 522538074 /nfs/dbraw/zinc/53/80/74/522538074.db2.gz LMWCLRFIMVFFQA-SECBINFHSA-N 0 3 298.770 1.752 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367704871 522538084 /nfs/dbraw/zinc/53/80/84/522538084.db2.gz LMWCLRFIMVFFQA-SECBINFHSA-N 0 3 298.770 1.752 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000120346851 524043878 /nfs/dbraw/zinc/04/38/78/524043878.db2.gz VNQGGWKPUMNGND-UHFFFAOYSA-N 0 3 266.341 1.263 20 10 CDCDHN Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([O-])c1O ZINC000277121567 526098293 /nfs/dbraw/zinc/09/82/93/526098293.db2.gz FPDJAEMQBCNAGD-GFCCVEGCSA-N 0 3 292.379 1.963 20 10 CDCDHN O=C(NCc1ccccc1O)N[C@H]1CCN(CC2CC2)C1 ZINC000731117210 575033977 /nfs/dbraw/zinc/03/39/77/575033977.db2.gz XNBQFIHNMSXDRC-AWEZNQCLSA-N 0 3 289.379 1.676 20 10 CDCDHN CCOc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([O-])c1 ZINC000770395730 575445249 /nfs/dbraw/zinc/44/52/49/575445249.db2.gz UKXPYMDENSAIFY-CHWSQXEVSA-N 0 3 262.353 1.442 20 10 CDCDHN OCCCCN1CCN(Cc2ccccc2O)CC1 ZINC000770510060 575458475 /nfs/dbraw/zinc/45/84/75/575458475.db2.gz IDWJESYBRNMRPG-UHFFFAOYSA-N 0 3 264.369 1.282 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000769383882 576350659 /nfs/dbraw/zinc/35/06/59/576350659.db2.gz NBCWTMPLQIDWOJ-OAHLLOKOSA-N 0 3 295.379 1.764 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c([O-])c1 ZINC000769383882 576350660 /nfs/dbraw/zinc/35/06/60/576350660.db2.gz NBCWTMPLQIDWOJ-OAHLLOKOSA-N 0 3 295.379 1.764 20 10 CDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCSCC2)cc1 ZINC000749125905 576936370 /nfs/dbraw/zinc/93/63/70/576936370.db2.gz JHBZLXGLAPJJKU-GFCCVEGCSA-N 0 3 293.436 1.593 20 10 CDCDHN C[C@H](CC(N)=O)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756659290 576998981 /nfs/dbraw/zinc/99/89/81/576998981.db2.gz COIUSXHYBBFEKV-XKSSXDPKSA-N 0 3 266.316 1.933 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000757657724 577048884 /nfs/dbraw/zinc/04/88/84/577048884.db2.gz FSUHJXKGYHPCJV-ABAIWWIYSA-N 0 3 295.379 1.839 20 10 CDCDHN O=C1NC2(CO1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC000753587866 577178524 /nfs/dbraw/zinc/17/85/24/577178524.db2.gz RMGSKJLGGHYEFE-UHFFFAOYSA-N 0 3 262.309 1.467 20 10 CDCDHN COCCNC(=O)C1(N[C@H](C)c2cc(C)ccc2O)CC1 ZINC000840823161 618676009 /nfs/dbraw/zinc/67/60/09/618676009.db2.gz UXQZHQDXSVEXCP-GFCCVEGCSA-N 0 3 292.379 1.646 20 10 CDCDHN CCNC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894380820 618837312 /nfs/dbraw/zinc/83/73/12/618837312.db2.gz AFZZRGPLKIWUOV-SNVBAGLBSA-N 0 3 266.341 1.323 20 10 CDCDHN CCn1nccc1CNCc1ccc(OC)c(OC)c1O ZINC000895480839 619689404 /nfs/dbraw/zinc/68/94/04/619689404.db2.gz NEGNELXDMJHIKY-UHFFFAOYSA-N 0 3 291.351 1.916 20 10 CDCDHN CC(C)N(C)CC(=O)NCc1ccc(O)cc1O ZINC000910954508 629117106 /nfs/dbraw/zinc/11/71/06/629117106.db2.gz KSKRNJISXBCVMK-UHFFFAOYSA-N 0 3 252.314 1.054 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1[O-] ZINC000842475218 630682476 /nfs/dbraw/zinc/68/24/76/630682476.db2.gz LQQBDMXFWIOHJA-AMIZOPFISA-N 0 3 266.316 1.513 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[O-] ZINC000866680978 1164807481 /nfs/dbraw/zinc/80/74/81/1164807481.db2.gz QOOWKIDGHMFPFR-BETUJISGSA-N 0 3 278.327 1.670 20 10 CDCDHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000126229669 1165937422 /nfs/dbraw/zinc/93/74/22/1165937422.db2.gz DOQNZCHTDCIQRJ-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000126229669 1165937428 /nfs/dbraw/zinc/93/74/28/1165937428.db2.gz DOQNZCHTDCIQRJ-JTQLQIEISA-N 0 3 264.325 1.312 20 10 CDCDHN CSC[C@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877050785 1165965157 /nfs/dbraw/zinc/96/51/57/1165965157.db2.gz DSDHJVGRSIIPPJ-NSHDSACASA-N 0 3 255.383 1.904 20 10 CDCDHN CCN(C)C(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648228 1166392427 /nfs/dbraw/zinc/39/24/27/1166392427.db2.gz FUBAKRAESVJBKB-LLVKDONJSA-N 0 3 250.342 1.911 20 10 CDCDHN Oc1cc2c(cc1CNC[C@@H](O)C(F)(F)F)OCO2 ZINC000227439405 796483297 /nfs/dbraw/zinc/48/32/97/796483297.db2.gz LATQTESSTYTOGG-SNVBAGLBSA-N 0 3 279.214 1.134 20 10 CDCDHN C[NH+](C)CC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000193144913 796665536 /nfs/dbraw/zinc/66/55/36/796665536.db2.gz GTSRCVUKADFEAE-UHFFFAOYSA-N 0 3 292.379 1.948 20 10 CDCDHN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccccc1[O-] ZINC000323032893 796862115 /nfs/dbraw/zinc/86/21/15/796862115.db2.gz MSXRYVBJQAFVHM-JQWIXIFHSA-N 0 3 250.342 1.958 20 10 CDCDHN [O-]c1c(Br)cccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079129 796916599 /nfs/dbraw/zinc/91/65/99/796916599.db2.gz ZEPUAGPNAOEDDM-JZYVYDRUSA-N 0 3 283.169 1.462 20 10 CDCDHN COc1cccc(O)c1CN1CCc2n[nH]c(=O)cc2C1 ZINC000775994140 796922560 /nfs/dbraw/zinc/92/25/60/796922560.db2.gz FJZFPXNEJQFJCE-UHFFFAOYSA-N 0 3 287.319 1.455 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)C2CC2)c1 ZINC000840885477 796979327 /nfs/dbraw/zinc/97/93/27/796979327.db2.gz XAEJPBXZXRAVRI-JTQLQIEISA-N 0 3 299.392 1.629 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000809694033 797030008 /nfs/dbraw/zinc/03/00/08/797030008.db2.gz HYKGDMXFAOPWAZ-UHFFFAOYSA-N 0 3 269.316 1.553 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000850342924 797481481 /nfs/dbraw/zinc/48/14/81/797481481.db2.gz OSQVEKZSECHEAP-SWLSCSKDSA-N 0 3 281.352 1.542 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](N)C(C)C)c1 ZINC000817958408 797697073 /nfs/dbraw/zinc/69/70/73/797697073.db2.gz JMQJQNYXACZMDN-MFKMUULPSA-N 0 3 280.368 1.813 20 10 CDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000779102181 797817081 /nfs/dbraw/zinc/81/70/81/797817081.db2.gz RQKRFKATZFIHJE-RYUDHWBXSA-N 0 3 266.316 1.536 20 10 CDCDHN COCC(COC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000388398015 797973711 /nfs/dbraw/zinc/97/37/11/797973711.db2.gz KKQRYTFOPCTVHK-UHFFFAOYSA-N 0 3 289.759 1.805 20 10 CDCDHN CN(C)c1ccc(CN(C)C[C@@H]2COCCO2)cc1F ZINC000827141795 798008550 /nfs/dbraw/zinc/00/85/50/798008550.db2.gz XZYLLNJORIMDQX-CYBMUJFWSA-N 0 3 282.359 1.739 20 10 CDCDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)F ZINC000698651747 912625280 /nfs/dbraw/zinc/62/52/80/912625280.db2.gz BOVWDSFGOBRWDO-ZDUSSCGKSA-N 0 3 257.280 1.727 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])C[NH+]1CCCCC1 ZINC000186986330 899817476 /nfs/dbraw/zinc/81/74/76/899817476.db2.gz XXWWRACXLZVFHE-GFCCVEGCSA-N 0 3 292.379 1.950 20 10 CDCDHN CC1([NH3+])CN(Cc2cc(Br)ccc2[O-])C1 ZINC001204966530 904776597 /nfs/dbraw/zinc/77/65/97/904776597.db2.gz XTQCPPZRAMLXSP-UHFFFAOYSA-N 0 3 271.158 1.688 20 10 CDCDHN O=C1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CCN1C1CC1 ZINC001172026719 911136024 /nfs/dbraw/zinc/13/60/24/911136024.db2.gz RNECOXGWLUYABX-AWEZNQCLSA-N 0 3 286.375 1.904 20 10 CDCDHN O=C1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CCN1C1CC1 ZINC001172026719 911136030 /nfs/dbraw/zinc/13/60/30/911136030.db2.gz RNECOXGWLUYABX-AWEZNQCLSA-N 0 3 286.375 1.904 20 10 CDCDHN COc1cccc(O)c1CN(C)C[C@@H]1COCCO1 ZINC000827140553 936493179 /nfs/dbraw/zinc/49/31/79/936493179.db2.gz LHQGSBQBIYBFOH-LLVKDONJSA-N 0 3 267.325 1.248 20 10 CDCDHN COc1c([O-])c(CN2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047527 919342541 /nfs/dbraw/zinc/34/25/41/919342541.db2.gz SMUFYKXAEUBFAA-JTQLQIEISA-N 0 3 295.339 1.480 20 10 CDCDHN C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057084 936675197 /nfs/dbraw/zinc/67/51/97/936675197.db2.gz BKXXIPZLPYQZKG-UONOGXRCSA-N 0 3 269.316 1.097 20 10 CDCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057084 936675198 /nfs/dbraw/zinc/67/51/98/936675198.db2.gz BKXXIPZLPYQZKG-UONOGXRCSA-N 0 3 269.316 1.097 20 10 CDCDHN O=C1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC001140060281 936675379 /nfs/dbraw/zinc/67/53/79/936675379.db2.gz SZBGAKTZQVCWKW-UHFFFAOYSA-N 0 3 278.327 1.776 20 10 CDCDHN CNC(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000398446298 936711136 /nfs/dbraw/zinc/71/11/36/936711136.db2.gz LJKODIAUSUDAPE-NSHDSACASA-N 0 3 250.342 1.877 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000835060762 936715590 /nfs/dbraw/zinc/71/55/90/936715590.db2.gz NDSUXOSDJSETKQ-AWEZNQCLSA-N 0 3 264.325 1.159 20 10 CDCDHN CCCN1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140749330 936749524 /nfs/dbraw/zinc/74/95/24/936749524.db2.gz VSWRKNFIJKAWIZ-UHFFFAOYSA-N 0 3 264.369 1.934 20 10 CDCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c([O-])c1 ZINC001140948087 936782533 /nfs/dbraw/zinc/78/25/33/936782533.db2.gz SAVNVQXJMZCHLR-CQSZACIVSA-N 0 3 277.364 1.816 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(OC)c1 ZINC001141031949 936796023 /nfs/dbraw/zinc/79/60/23/936796023.db2.gz OBYZMKNQGNUMNF-YGRLFVJLSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c(OC)c1 ZINC001141031949 936796025 /nfs/dbraw/zinc/79/60/25/936796025.db2.gz OBYZMKNQGNUMNF-YGRLFVJLSA-N 0 3 281.352 1.612 20 10 CDCDHN CCNC(=O)OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159260 936821979 /nfs/dbraw/zinc/82/19/79/936821979.db2.gz BEHUKNBMQCFWNJ-UHFFFAOYSA-N 0 3 294.351 1.808 20 10 CDCDHN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000783533501 937274406 /nfs/dbraw/zinc/27/44/06/937274406.db2.gz RHQFQKPEQHBUAS-RISCZKNCSA-N 0 3 265.353 1.830 20 10 CDCDHN CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1[O-] ZINC000858549665 928883050 /nfs/dbraw/zinc/88/30/50/928883050.db2.gz YJQSJHWTQCSTOA-TZMCWYRMSA-N 0 3 264.369 1.500 20 10 CDCDHN C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[O-] ZINC000697619645 937284908 /nfs/dbraw/zinc/28/49/08/937284908.db2.gz FJFMZESZXUCJSY-UWVGGRQHSA-N 0 3 257.355 1.476 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+](C1CC1)C1CC1)[C@H](O)CO2 ZINC000863303211 929533312 /nfs/dbraw/zinc/53/33/12/929533312.db2.gz WEHCXPWJXOPAMH-CQSZACIVSA-N 0 3 261.321 1.945 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883269320 930172274 /nfs/dbraw/zinc/17/22/74/930172274.db2.gz GFQVYFCISXJPQE-CYBMUJFWSA-N 0 3 291.347 1.935 20 10 CDCDHN CCCN1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000817410891 930529766 /nfs/dbraw/zinc/52/97/66/930529766.db2.gz JKLLAIITCQLJBR-LLVKDONJSA-N 0 3 280.343 1.879 20 10 CDCDHN C[C@H]([NH2+]C1CCNCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817936734 930634841 /nfs/dbraw/zinc/63/48/41/930634841.db2.gz QSBZWNVXDMWZOA-VIFPVBQESA-N 0 3 265.313 1.703 20 10 CDCDHN C[C@H](NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817936734 930634844 /nfs/dbraw/zinc/63/48/44/930634844.db2.gz QSBZWNVXDMWZOA-VIFPVBQESA-N 0 3 265.313 1.703 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229553 930831836 /nfs/dbraw/zinc/83/18/36/930831836.db2.gz ROCAYSMPNDEALI-CHWSQXEVSA-N 0 3 251.326 1.412 20 10 CDCDHN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000927083100 933043365 /nfs/dbraw/zinc/04/33/65/933043365.db2.gz DRYVCYSETSYAMK-RYUDHWBXSA-N 0 3 251.326 1.848 20 10 CDCDHN CC[C@H](C)[C@H](NCc1ccc(OC)c(C)c1)C(N)=O ZINC000931762685 933620339 /nfs/dbraw/zinc/62/03/39/933620339.db2.gz ZWPMSHXANZKCLT-HZMBPMFUSA-N 0 3 264.369 1.993 20 10 CDCDHN CCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000250266064 934975064 /nfs/dbraw/zinc/97/50/64/934975064.db2.gz KKXJYSCIMMCLSZ-LLVKDONJSA-N 0 3 278.352 1.647 20 10 CDCDHN CCOc1cccc(CN(CC)C2CN(C)C2)c1O ZINC001203615689 939696616 /nfs/dbraw/zinc/69/66/16/939696616.db2.gz WYVHIPUQOUJUBW-UHFFFAOYSA-N 0 3 264.369 1.927 20 10 CDCDHN CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(O)cc2[O-])C(C)C)C1 ZINC001204277381 939751469 /nfs/dbraw/zinc/75/14/69/939751469.db2.gz BXDNFUMLDPAUJK-CQSZACIVSA-N 0 3 292.379 1.929 20 10 CDCDHN CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(O)cc2[O-])C(C)C)C1 ZINC001204277381 939751470 /nfs/dbraw/zinc/75/14/70/939751470.db2.gz BXDNFUMLDPAUJK-CQSZACIVSA-N 0 3 292.379 1.929 20 10 CDCDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)O1 ZINC001204281623 939752414 /nfs/dbraw/zinc/75/24/14/939752414.db2.gz XGLBCYWWFONJLT-OAHLLOKOSA-N 0 3 277.320 1.769 20 10 CDCDHN O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)O1 ZINC001204281623 939752416 /nfs/dbraw/zinc/75/24/16/939752416.db2.gz XGLBCYWWFONJLT-OAHLLOKOSA-N 0 3 277.320 1.769 20 10 CDCDHN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537062 940209441 /nfs/dbraw/zinc/20/94/41/940209441.db2.gz BHTAYULHRDKJSH-OKILXGFUSA-N 0 3 293.386 1.351 20 10 CDCDHN NC(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC001231588686 942936688 /nfs/dbraw/zinc/93/66/88/942936688.db2.gz OPDCLHFZIISIOH-UHFFFAOYSA-N 0 3 285.347 1.742 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001231586154 942936861 /nfs/dbraw/zinc/93/68/61/942936861.db2.gz CGOZMEVPLZVLCD-BLLLJJGKSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001231586154 942936869 /nfs/dbraw/zinc/93/68/69/942936869.db2.gz CGOZMEVPLZVLCD-BLLLJJGKSA-N 0 3 273.332 1.330 20 10 CDCDHN COc1cc(CN2CCN(C)[C@H](C)C2)c(O)cc1O ZINC001231637376 942954117 /nfs/dbraw/zinc/95/41/17/942954117.db2.gz LGUMZVGZERJWPR-SNVBAGLBSA-N 0 3 266.341 1.242 20 10 CDCDHN CCN1CCN(c2ccc(O[C@H]3CCOC3=O)cc2)CC1 ZINC001234657228 943930639 /nfs/dbraw/zinc/93/06/39/943930639.db2.gz CRTAYYNZTVNNEP-HNNXBMFYSA-N 0 3 290.363 1.523 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235989977 944353965 /nfs/dbraw/zinc/35/39/65/944353965.db2.gz LCIWKQRQZWNCBX-HZMBPMFUSA-N 0 3 282.771 1.977 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@H]([NH3+])C2)cc1Cl ZINC001236171504 944421799 /nfs/dbraw/zinc/42/17/99/944421799.db2.gz BRDWVIKVPGQMTA-VIFPVBQESA-N 0 3 256.733 1.587 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001236828001 944584776 /nfs/dbraw/zinc/58/47/76/944584776.db2.gz YWJJHNRUSCZRLH-HOCLYGCPSA-N 0 3 273.332 1.330 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001236828001 944584788 /nfs/dbraw/zinc/58/47/88/944584788.db2.gz YWJJHNRUSCZRLH-HOCLYGCPSA-N 0 3 273.332 1.330 20 10 CDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046630 944645684 /nfs/dbraw/zinc/64/56/84/944645684.db2.gz UFZNGNLUSNZHNP-GOEBONIOSA-N 0 3 279.380 1.691 20 10 CDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046630 944645689 /nfs/dbraw/zinc/64/56/89/944645689.db2.gz UFZNGNLUSNZHNP-GOEBONIOSA-N 0 3 279.380 1.691 20 10 CDCDHN Cc1cc(F)cc(CN2CCOC[C@@](C)(O)C2)c1O ZINC001238059253 945044238 /nfs/dbraw/zinc/04/42/38/945044238.db2.gz BIQJCCJKASECQG-AWEZNQCLSA-N 0 3 269.316 1.423 20 10 CDCDHN Cn1ccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)cc1=O ZINC001240983474 946127601 /nfs/dbraw/zinc/12/76/01/946127601.db2.gz KBBVSGGXXWMOQK-CQSZACIVSA-N 0 3 296.374 1.652 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001249172421 949440454 /nfs/dbraw/zinc/44/04/54/949440454.db2.gz MJKWYDLGBNQQAW-CYBMUJFWSA-N 0 3 293.363 1.312 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001249172421 949440469 /nfs/dbraw/zinc/44/04/69/949440469.db2.gz MJKWYDLGBNQQAW-CYBMUJFWSA-N 0 3 293.363 1.312 20 10 CDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CN1 ZINC001336290217 960290620 /nfs/dbraw/zinc/29/06/20/960290620.db2.gz KCUWQIFZBHBZCU-GHMZBOCLSA-N 0 3 262.357 1.161 20 10 CDCDHN O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001337396117 961164809 /nfs/dbraw/zinc/16/48/09/961164809.db2.gz OCZIJJVXBCLLHB-CYBMUJFWSA-N 0 3 274.364 1.883 20 10 CDCDHN O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001337396117 961164816 /nfs/dbraw/zinc/16/48/16/961164816.db2.gz OCZIJJVXBCLLHB-CYBMUJFWSA-N 0 3 274.364 1.883 20 10 CDCDHN CN(C)C1(C(=O)NCc2ccc(N)cc2)CCCC1 ZINC001578409118 1171900188 /nfs/dbraw/zinc/90/01/88/1171900188.db2.gz JYQIVWGFYDWEAM-UHFFFAOYSA-N 0 3 261.369 1.759 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCC ZINC000274590018 365723079 /nfs/dbraw/zinc/72/30/79/365723079.db2.gz JUMSBEUZMFGUNK-INIZCTEOSA-N 0 3 295.379 1.918 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCC ZINC000274590018 365723083 /nfs/dbraw/zinc/72/30/83/365723083.db2.gz JUMSBEUZMFGUNK-INIZCTEOSA-N 0 3 295.379 1.918 20 10 CDCDHN CN(C)c1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1 ZINC000188521605 282290790 /nfs/dbraw/zinc/29/07/90/282290790.db2.gz KCXKRXAUQCQBSA-CYBMUJFWSA-N 0 3 263.385 1.742 20 10 CDCDHN COc1ccc(N(C)CCN(C)C(=O)OC2CNC2)cc1 ZINC001579224538 1172119876 /nfs/dbraw/zinc/11/98/76/1172119876.db2.gz NXNBISXQCAGJBU-UHFFFAOYSA-N 0 3 293.367 1.172 20 10 CDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112839398 366160339 /nfs/dbraw/zinc/16/03/39/366160339.db2.gz KTEQJBKGUKNEFB-ZIAGYGMSSA-N 0 3 262.353 1.345 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000036794558 356884559 /nfs/dbraw/zinc/88/45/59/356884559.db2.gz OJTKAZVHZSHXOX-WDEREUQCSA-N 0 3 250.342 1.876 20 10 CDCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000036794560 356884694 /nfs/dbraw/zinc/88/46/94/356884694.db2.gz OJTKAZVHZSHXOX-GHMZBOCLSA-N 0 3 250.342 1.876 20 10 CDCDHN COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000051991445 357265153 /nfs/dbraw/zinc/26/51/53/357265153.db2.gz ZNQKEXFMNJIXGY-RYUDHWBXSA-N 0 3 251.326 1.794 20 10 CDCDHN COCCO[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000188827394 357942299 /nfs/dbraw/zinc/94/22/99/357942299.db2.gz QCRSOIWSSNOKPV-INIZCTEOSA-N 0 3 278.396 1.990 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@H](C)O)CC2)cc1C ZINC000189850596 358042292 /nfs/dbraw/zinc/04/22/92/358042292.db2.gz DEELMIRVPXKEFB-AWEZNQCLSA-N 0 3 278.396 1.507 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)cc1OC ZINC000190264226 358063260 /nfs/dbraw/zinc/06/32/60/358063260.db2.gz HOJZWTPDUJSGMX-RYUDHWBXSA-N 0 3 281.352 1.803 20 10 CDCDHN C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000192994967 358256140 /nfs/dbraw/zinc/25/61/40/358256140.db2.gz IHIJWOLEYFPOIR-OCCSQVGLSA-N 0 3 265.353 1.754 20 10 CDCDHN C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000192994967 358256142 /nfs/dbraw/zinc/25/61/42/358256142.db2.gz IHIJWOLEYFPOIR-OCCSQVGLSA-N 0 3 265.353 1.754 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)NCC2CC2)c([O-])c1 ZINC000186505524 358801024 /nfs/dbraw/zinc/80/10/24/358801024.db2.gz XYQFXMYYGMCXCA-NSHDSACASA-N 0 3 262.353 1.877 20 10 CDCDHN CN(C)C(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879438 358983957 /nfs/dbraw/zinc/98/39/57/358983957.db2.gz IKHHAAOTRZLPDH-UHFFFAOYSA-N 0 3 266.341 1.551 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCSCCCO)c1 ZINC000113338229 359394562 /nfs/dbraw/zinc/39/45/62/359394562.db2.gz ZYIGJPIYORYHGK-UHFFFAOYSA-N 0 3 255.383 1.906 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230663353 360336273 /nfs/dbraw/zinc/33/62/73/360336273.db2.gz WGAKKSAYBYWBKG-GXSJLCMTSA-N 0 3 257.305 1.579 20 10 CDCDHN CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000268740095 364086971 /nfs/dbraw/zinc/08/69/71/364086971.db2.gz PKZPEIKIZOFQHG-CYBMUJFWSA-N 0 3 281.375 1.848 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000273371045 365489572 /nfs/dbraw/zinc/48/95/72/365489572.db2.gz CKMOZWBKFUUMPA-YPMHNXCESA-N 0 3 282.359 1.903 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)c([O-])c1C ZINC000530225637 368151461 /nfs/dbraw/zinc/15/14/61/368151461.db2.gz MKKAQYPDPXGSGF-STQMWFEESA-N 0 3 264.369 1.648 20 10 CDCDHN COc1cc(O)c(CNCc2cc(C)nn2C)cc1OC ZINC000284392545 368516431 /nfs/dbraw/zinc/51/64/31/368516431.db2.gz PGAGKXIIFSNHQC-UHFFFAOYSA-N 0 3 291.351 1.741 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000273580540 371168292 /nfs/dbraw/zinc/16/82/92/371168292.db2.gz MOGRIWUIKKVVJM-PSASIEDQSA-N 0 3 252.289 1.413 20 10 CDCDHN CC(C)NC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295879783 371401208 /nfs/dbraw/zinc/40/12/08/371401208.db2.gz HNZJPCXYVCCWRU-GFCCVEGCSA-N 0 3 262.353 1.884 20 10 CDCDHN CN(C)C(=O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297766247 371459198 /nfs/dbraw/zinc/45/91/98/371459198.db2.gz OZROKYJJSCMFRH-GFCCVEGCSA-N 0 3 262.353 1.838 20 10 CDCDHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000292028913 377586426 /nfs/dbraw/zinc/58/64/26/377586426.db2.gz XLLHXAYPVHIARP-SNVBAGLBSA-N 0 3 266.341 1.556 20 10 CDCDHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000292028913 377586429 /nfs/dbraw/zinc/58/64/29/377586429.db2.gz XLLHXAYPVHIARP-SNVBAGLBSA-N 0 3 266.341 1.556 20 10 CDCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000293754880 378589008 /nfs/dbraw/zinc/58/90/08/378589008.db2.gz OLUCFPSKDUFODE-NEPJUHHUSA-N 0 3 262.353 1.890 20 10 CDCDHN CCOCc1cc(CN[C@@H]2COC[C@H]2O)ccc1OC ZINC000295634463 378690325 /nfs/dbraw/zinc/69/03/25/378690325.db2.gz PBZPWTKPFBTZDS-ZIAGYGMSSA-N 0 3 281.352 1.081 20 10 CDCDHN COC[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133719581 390937557 /nfs/dbraw/zinc/93/75/57/390937557.db2.gz RPFJPRYPGOACQI-CQSZACIVSA-N 0 3 278.396 1.990 20 10 CDCDHN COCCN(CCOC)Cc1cccc(OC)c1O ZINC000133416767 390902904 /nfs/dbraw/zinc/90/29/04/390902904.db2.gz VGUQENZYVOXIBL-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN C[C@H](O)CC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093481801 390902932 /nfs/dbraw/zinc/90/29/32/390902932.db2.gz LPFPTRNDKMGVTP-VIFPVBQESA-N 0 3 253.298 1.324 20 10 CDCDHN C[C@H](O)CC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093481801 390902934 /nfs/dbraw/zinc/90/29/34/390902934.db2.gz LPFPTRNDKMGVTP-VIFPVBQESA-N 0 3 253.298 1.324 20 10 CDCDHN C[S@](=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000281931689 390972449 /nfs/dbraw/zinc/97/24/49/390972449.db2.gz ZXLXZNFXICHUCP-SFHVURJKSA-N 0 3 271.357 1.922 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC ZINC000174374439 391121395 /nfs/dbraw/zinc/12/13/95/391121395.db2.gz WWXTUHBGUHCBLK-NSHDSACASA-N 0 3 293.367 1.448 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC ZINC000174374439 391121399 /nfs/dbraw/zinc/12/13/99/391121399.db2.gz WWXTUHBGUHCBLK-NSHDSACASA-N 0 3 293.367 1.448 20 10 CDCDHN C[C@@H](C[S@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000168149987 391268029 /nfs/dbraw/zinc/26/80/29/391268029.db2.gz FTBMVDZBDRUYNW-DYZYQPBXSA-N 0 3 253.367 1.478 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1F ZINC000271191268 391290331 /nfs/dbraw/zinc/29/03/31/391290331.db2.gz QGTODGPTWGAYFY-GFCCVEGCSA-N 0 3 293.386 1.979 20 10 CDCDHN COCC[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000282108677 391672671 /nfs/dbraw/zinc/67/26/71/391672671.db2.gz DRXQNUZHGXOARI-CYBMUJFWSA-N 0 3 251.326 1.109 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](CCO)CCCO)c1[O-] ZINC000273798793 286223213 /nfs/dbraw/zinc/22/32/13/286223213.db2.gz WPRRYAAFTDVWKZ-UHFFFAOYSA-N 0 3 289.759 1.231 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](CCO)CCCO)c1[O-] ZINC000273798793 286223214 /nfs/dbraw/zinc/22/32/14/286223214.db2.gz WPRRYAAFTDVWKZ-UHFFFAOYSA-N 0 3 289.759 1.231 20 10 CDCDHN CCOc1ccc(O)c(CN2CCN(C)CC2)c1 ZINC000154401210 261091114 /nfs/dbraw/zinc/09/11/14/261091114.db2.gz FJXFHMQTWATDEH-UHFFFAOYSA-N 0 3 250.342 1.538 20 10 CDCDHN COc1ccc([O-])c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000180011354 261831773 /nfs/dbraw/zinc/83/17/73/261831773.db2.gz ZZVLAWZUSJZCCY-UHFFFAOYSA-N 0 3 293.363 1.986 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@]2(CO)CCOC2)cc1F ZINC000184196961 262011890 /nfs/dbraw/zinc/01/18/90/262011890.db2.gz XKZBMPBIZWXODI-MRXNPFEDSA-N 0 3 296.386 1.913 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185393076 262053071 /nfs/dbraw/zinc/05/30/71/262053071.db2.gz SOROEPVDTRXTOK-STQMWFEESA-N 0 3 295.402 1.818 20 10 CDCDHN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)ccc1[O-] ZINC000186221830 262084335 /nfs/dbraw/zinc/08/43/35/262084335.db2.gz JINJETSFHJDQID-MRVPVSSYSA-N 0 3 254.305 1.693 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCOCCO)c1 ZINC000186514016 262316211 /nfs/dbraw/zinc/31/62/11/262316211.db2.gz IOXCPLNUZXDEBD-LLVKDONJSA-N 0 3 269.341 1.450 20 10 CDCDHN CCOCc1cc(CN[C@H](CO)CCOC)ccc1OC ZINC000282364465 263076081 /nfs/dbraw/zinc/07/60/81/263076081.db2.gz WLGCAZKRVFHFQC-HNNXBMFYSA-N 0 3 297.395 1.719 20 10 CDCDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000279761852 289408494 /nfs/dbraw/zinc/40/84/94/289408494.db2.gz ZZCPPORFEUIWJX-UHFFFAOYSA-N 0 3 282.409 1.419 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@@](F)(CO)C2)c1 ZINC000289722292 328256071 /nfs/dbraw/zinc/25/60/71/328256071.db2.gz HHYJNJIGYWYUDJ-AWEZNQCLSA-N 0 3 253.317 1.997 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c([O-])c1 ZINC000230994652 333323389 /nfs/dbraw/zinc/32/33/89/333323389.db2.gz MEJGBJWKZDRMFE-LLVKDONJSA-N 0 3 286.397 1.243 20 10 CDCDHN CCN(CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049086467 520577570 /nfs/dbraw/zinc/57/75/70/520577570.db2.gz QAJXWNMKQXIULF-UHFFFAOYSA-N 0 3 263.385 1.711 20 10 CDCDHN COC(=O)c1cc(CNCc2cccc(OC)c2O)c[nH]1 ZINC000289495567 521858164 /nfs/dbraw/zinc/85/81/64/521858164.db2.gz SGHJCAWVKLANBP-UHFFFAOYSA-N 0 3 290.319 1.805 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000204241255 522201026 /nfs/dbraw/zinc/20/10/26/522201026.db2.gz GIFRJNQBPQJXAC-KRWDZBQOSA-N 0 3 297.402 1.939 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H]1CCCO1 ZINC000278699486 522747302 /nfs/dbraw/zinc/74/73/02/522747302.db2.gz QQRUZCDWOGJOGQ-ZFWWWQNUSA-N 0 3 265.353 1.984 20 10 CDCDHN C[C@@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000097440200 524506713 /nfs/dbraw/zinc/50/67/13/524506713.db2.gz BGTBZDYOVSOHII-VIFPVBQESA-N 0 3 253.298 1.229 20 10 CDCDHN C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1[O-] ZINC000068800506 525422073 /nfs/dbraw/zinc/42/20/73/525422073.db2.gz MLCJIKCUKIHMPS-STQMWFEESA-N 0 3 263.385 1.289 20 10 CDCDHN COc1cccc(CNCC2(S(C)(=O)=O)CCC2)c1O ZINC000279851414 526013732 /nfs/dbraw/zinc/01/37/32/526013732.db2.gz RTHYWFOISHRQGI-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN Oc1cc2c(cc1CN1CC[C@@H](n3cccn3)C1)OCO2 ZINC000290863779 526335978 /nfs/dbraw/zinc/33/59/78/526335978.db2.gz ANXXLTIJWUNFIY-GFCCVEGCSA-N 0 3 287.319 1.764 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)OCO2 ZINC000151296676 526336839 /nfs/dbraw/zinc/33/68/39/526336839.db2.gz JPOZYHLISHNQRN-OAHLLOKOSA-N 0 3 277.320 1.733 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CCOC3)C1)OCO2 ZINC000151296676 526336842 /nfs/dbraw/zinc/33/68/42/526336842.db2.gz JPOZYHLISHNQRN-OAHLLOKOSA-N 0 3 277.320 1.733 20 10 CDCDHN O=C1NCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000127637393 527069796 /nfs/dbraw/zinc/06/97/96/527069796.db2.gz DKZCTAOPSYGUKN-UHFFFAOYSA-N 0 3 275.352 1.382 20 10 CDCDHN CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000771765625 575609112 /nfs/dbraw/zinc/60/91/12/575609112.db2.gz CMKLXXSKKLWXIT-BMIGLBTASA-N 0 3 297.351 1.366 20 10 CDCDHN CCOC(=O)[C@@](C)(O)CN[C@H](C)c1cc(OC)ccc1O ZINC000771765625 575609113 /nfs/dbraw/zinc/60/91/13/575609113.db2.gz CMKLXXSKKLWXIT-BMIGLBTASA-N 0 3 297.351 1.366 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCOC1 ZINC000768453585 576285801 /nfs/dbraw/zinc/28/58/01/576285801.db2.gz ZCLPKCMGFKVOBJ-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCOC1 ZINC000768453585 576285804 /nfs/dbraw/zinc/28/58/04/576285804.db2.gz ZCLPKCMGFKVOBJ-ABAIWWIYSA-N 0 3 293.363 1.676 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462080 576286756 /nfs/dbraw/zinc/28/67/56/576286756.db2.gz IVLLOPSHIPMIOK-WBIUFABUSA-N 0 3 293.363 1.553 20 10 CDCDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462080 576286759 /nfs/dbraw/zinc/28/67/59/576286759.db2.gz IVLLOPSHIPMIOK-WBIUFABUSA-N 0 3 293.363 1.553 20 10 CDCDHN COc1ccc(CN2CCC[C@@H](O)C2)c(O)c1OC ZINC000891451727 617414301 /nfs/dbraw/zinc/41/43/01/617414301.db2.gz RYYALPIHWJQONL-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN CC(C)(CC[NH2+]Cc1ccccc1[O-])S(C)(=O)=O ZINC000840960558 617838794 /nfs/dbraw/zinc/83/87/94/617838794.db2.gz ONBFSGAAWSCEOA-UHFFFAOYSA-N 0 3 271.382 1.695 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840976438 617976595 /nfs/dbraw/zinc/97/65/95/617976595.db2.gz BWKGEKGSEXZCND-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840976438 617976604 /nfs/dbraw/zinc/97/66/04/617976604.db2.gz BWKGEKGSEXZCND-DGCLKSJQSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cc(C)cc(CN2CC3(C2)CCOC3)c1O ZINC000894868297 619110619 /nfs/dbraw/zinc/11/06/19/619110619.db2.gz QGDHQCVHKSJXAN-UHFFFAOYSA-N 0 3 263.337 1.932 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897681482 621069919 /nfs/dbraw/zinc/06/99/19/621069919.db2.gz VWFSETCYZZBRGY-KCJUWKMLSA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897681482 621069924 /nfs/dbraw/zinc/06/99/24/621069924.db2.gz VWFSETCYZZBRGY-KCJUWKMLSA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897681482 621069927 /nfs/dbraw/zinc/06/99/27/621069927.db2.gz VWFSETCYZZBRGY-KCJUWKMLSA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(CN2C[C@H](O)[C@@H](C)C2)c1O ZINC000897681483 621070257 /nfs/dbraw/zinc/07/02/57/621070257.db2.gz VWFSETCYZZBRGY-KWQFWETISA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897681483 621070260 /nfs/dbraw/zinc/07/02/60/621070260.db2.gz VWFSETCYZZBRGY-KWQFWETISA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897681483 621070266 /nfs/dbraw/zinc/07/02/66/621070266.db2.gz VWFSETCYZZBRGY-KWQFWETISA-N 0 3 271.744 1.867 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000793384916 1162417531 /nfs/dbraw/zinc/41/75/31/1162417531.db2.gz PUWMLVAZQWWYAC-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000793384916 1162417534 /nfs/dbraw/zinc/41/75/34/1162417534.db2.gz PUWMLVAZQWWYAC-CQSZACIVSA-N 0 3 264.325 1.098 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1)OCO2 ZINC000230667406 1161045557 /nfs/dbraw/zinc/04/55/57/1161045557.db2.gz ATGKNDLAMUYFSB-CMPLNLGQSA-N 0 3 279.336 1.762 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000790756993 1162168701 /nfs/dbraw/zinc/16/87/01/1162168701.db2.gz INYDWZUJQWCZLC-ZIAGYGMSSA-N 0 3 297.395 1.765 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H](C)OC ZINC000812304515 1163612029 /nfs/dbraw/zinc/61/20/29/1163612029.db2.gz XEOOXXDQBHSILJ-HZMBPMFUSA-N 0 3 281.352 1.675 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H](C)OC ZINC000812304515 1163612031 /nfs/dbraw/zinc/61/20/31/1163612031.db2.gz XEOOXXDQBHSILJ-HZMBPMFUSA-N 0 3 281.352 1.675 20 10 CDCDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000868366708 1164939231 /nfs/dbraw/zinc/93/92/31/1164939231.db2.gz VMVDXAJUWPGTDP-NEPJUHHUSA-N 0 3 289.379 1.989 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000877007482 1165958841 /nfs/dbraw/zinc/95/88/41/1165958841.db2.gz RXTRGRNLTPAPDT-CYBMUJFWSA-N 0 3 265.353 1.843 20 10 CDCDHN Cc1cccc(O)c1CNCc1ccnc(N(C)C)n1 ZINC000877136272 1165980139 /nfs/dbraw/zinc/98/01/39/1165980139.db2.gz AZOUUAQQALQILZ-UHFFFAOYSA-N 0 3 272.352 1.846 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000886745232 1166539561 /nfs/dbraw/zinc/53/95/61/1166539561.db2.gz RKEXEXHEVXRKAO-MWLCHTKSSA-N 0 3 293.342 1.694 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1[O-] ZINC000840977011 805308342 /nfs/dbraw/zinc/30/83/42/805308342.db2.gz ZYMROSLQCXQZKM-YPMHNXCESA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1[O-] ZINC000840977011 805308353 /nfs/dbraw/zinc/30/83/53/805308353.db2.gz ZYMROSLQCXQZKM-YPMHNXCESA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000840977011 805308367 /nfs/dbraw/zinc/30/83/67/805308367.db2.gz ZYMROSLQCXQZKM-YPMHNXCESA-N 0 3 285.771 1.529 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@H]2COCO2)c([O-])c1 ZINC000894874031 811368909 /nfs/dbraw/zinc/36/89/09/811368909.db2.gz VCOUCPAKLYIEMQ-LBPRGKRZSA-N 0 3 253.298 1.253 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCCOCC1 ZINC000877526989 811852703 /nfs/dbraw/zinc/85/27/03/811852703.db2.gz HKHPIFMFQKQJGU-UHFFFAOYSA-N 0 3 264.369 1.513 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000877467156 811902557 /nfs/dbraw/zinc/90/25/57/811902557.db2.gz XARBFBWGOBECKK-YWPYICTPSA-N 0 3 274.364 1.786 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000877467156 811902569 /nfs/dbraw/zinc/90/25/69/811902569.db2.gz XARBFBWGOBECKK-YWPYICTPSA-N 0 3 274.364 1.786 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c([O-])c1 ZINC000858282232 811975478 /nfs/dbraw/zinc/97/54/78/811975478.db2.gz USMUPNDIOYVPMA-ZWNOBZJWSA-N 0 3 299.392 1.456 20 10 CDCDHN CCCNC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876956848 812016240 /nfs/dbraw/zinc/01/62/40/812016240.db2.gz PBWNPNDVJZMIHX-UHFFFAOYSA-N 0 3 250.342 1.707 20 10 CDCDHN COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000382571319 812028915 /nfs/dbraw/zinc/02/89/15/812028915.db2.gz QNGXDAMOJWJNHY-TVQRCGJNSA-N 0 3 257.305 1.579 20 10 CDCDHN CCOc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c([O-])c1 ZINC000846111819 812413990 /nfs/dbraw/zinc/41/39/90/812413990.db2.gz VZMFNPIEYYSUFZ-INIZCTEOSA-N 0 3 295.379 1.812 20 10 CDCDHN CCc1cccc(CN2CCN(C[C@H](C)O)CC2)c1O ZINC000848885950 812736169 /nfs/dbraw/zinc/73/61/69/812736169.db2.gz PEVAXGUKZVLGIB-ZDUSSCGKSA-N 0 3 278.396 1.453 20 10 CDCDHN O=S1(=O)CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611315 812857022 /nfs/dbraw/zinc/85/70/22/812857022.db2.gz IEBVIJZKJWENDT-NSHDSACASA-N 0 3 273.329 1.198 20 10 CDCDHN CCCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182360280 813069792 /nfs/dbraw/zinc/06/97/92/813069792.db2.gz DZLRPBLOIJSUKR-LLVKDONJSA-N 0 3 280.368 1.968 20 10 CDCDHN CC(C)(CN1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000308639345 813216482 /nfs/dbraw/zinc/21/64/82/813216482.db2.gz JKULFDNGXJVGLQ-UHFFFAOYSA-N 0 3 264.369 1.593 20 10 CDCDHN Cc1cccc(CN2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817412190 813318981 /nfs/dbraw/zinc/31/89/81/813318981.db2.gz GEHCBXDNPOXMGL-CYBMUJFWSA-N 0 3 265.353 1.672 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c([O-])c1 ZINC000886229744 813861083 /nfs/dbraw/zinc/86/10/83/813861083.db2.gz VFXURQLOBVLOCI-ZIAGYGMSSA-N 0 3 295.379 1.811 20 10 CDCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886511450 813925288 /nfs/dbraw/zinc/92/52/88/813925288.db2.gz UHJDJKYGBABKAU-RYUDHWBXSA-N 0 3 282.359 1.639 20 10 CDCDHN COCCO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877460519 814022267 /nfs/dbraw/zinc/02/22/67/814022267.db2.gz UHOQGCRWPQXOMO-CYBMUJFWSA-N 0 3 265.353 1.938 20 10 CDCDHN COCCO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877460519 814022273 /nfs/dbraw/zinc/02/22/73/814022273.db2.gz UHOQGCRWPQXOMO-CYBMUJFWSA-N 0 3 265.353 1.938 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCOC)cc1 ZINC000884194059 814369064 /nfs/dbraw/zinc/36/90/64/814369064.db2.gz YDTXIQBKLOBXFN-OAHLLOKOSA-N 0 3 293.411 1.513 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([O-])c1O ZINC000837187239 814559264 /nfs/dbraw/zinc/55/92/64/814559264.db2.gz YDIZLTWMDLNXSR-LBPRGKRZSA-N 0 3 292.379 1.961 20 10 CDCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c([O-])c1O ZINC000837187239 814559268 /nfs/dbraw/zinc/55/92/68/814559268.db2.gz YDIZLTWMDLNXSR-LBPRGKRZSA-N 0 3 292.379 1.961 20 10 CDCDHN CCOCCOCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000787239365 814762197 /nfs/dbraw/zinc/76/21/97/814762197.db2.gz NVOJZOBZOBQGPR-UHFFFAOYSA-N 0 3 297.351 1.606 20 10 CDCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000830865546 816861352 /nfs/dbraw/zinc/86/13/52/816861352.db2.gz NYVJCDMIACWOTR-HIFRSBDPSA-N 0 3 292.379 1.108 20 10 CDCDHN CC[C@@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000094948829 816886701 /nfs/dbraw/zinc/88/67/01/816886701.db2.gz QUYKXEIJXHYWBL-JTQLQIEISA-N 0 3 267.325 1.619 20 10 CDCDHN CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccccc1[O-] ZINC000839193589 816888860 /nfs/dbraw/zinc/88/88/60/816888860.db2.gz TWHGRBNRHHYNNJ-CYBMUJFWSA-N 0 3 292.379 1.728 20 10 CDCDHN CSCC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832658895 817004549 /nfs/dbraw/zinc/00/45/49/817004549.db2.gz GKQGLRZDVFLDNH-GFCCVEGCSA-N 0 3 267.398 1.008 20 10 CDCDHN CCN(CC)c1ccc(CN(C)C(=O)C2(N)CC2)cc1 ZINC000844166630 817010769 /nfs/dbraw/zinc/01/07/69/817010769.db2.gz GFKSSDCWGXYFOH-UHFFFAOYSA-N 0 3 275.396 1.983 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834697984 817292260 /nfs/dbraw/zinc/29/22/60/817292260.db2.gz SNWLPWCCYAABQT-FRRDWIJNSA-N 0 3 274.364 1.884 20 10 CDCDHN CC[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)NC ZINC000825316976 817337167 /nfs/dbraw/zinc/33/71/67/817337167.db2.gz ZVOPFJXLQCIOMD-JTQLQIEISA-N 0 3 282.340 1.024 20 10 CDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000842752538 817338729 /nfs/dbraw/zinc/33/87/29/817338729.db2.gz OLFSIHHUZINUTN-TZMCWYRMSA-N 0 3 268.332 1.395 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[NH+]1CCC(C)CC1 ZINC000187033442 817432963 /nfs/dbraw/zinc/43/29/63/817432963.db2.gz RRMHZCRSNOEPGM-GFCCVEGCSA-N 0 3 292.379 1.948 20 10 CDCDHN C[NH+](C)CCn1nccc1NC(=O)c1cc([O-])cs1 ZINC000854665598 817638605 /nfs/dbraw/zinc/63/86/05/817638605.db2.gz XHYRBHHUHXSUBW-UHFFFAOYSA-N 0 3 280.353 1.464 20 10 CDCDHN Cc1cccc(O)c1CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876581444 817806746 /nfs/dbraw/zinc/80/67/46/817806746.db2.gz JUGKKZXNUQCSJA-GFCCVEGCSA-N 0 3 298.408 1.214 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000183614256 817807758 /nfs/dbraw/zinc/80/77/58/817807758.db2.gz AEZPWROXGRCVSV-GHMZBOCLSA-N 0 3 260.337 1.806 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001358405684 1167509023 /nfs/dbraw/zinc/50/90/23/1167509023.db2.gz BJOQRYRUJYRCMV-AWEZNQCLSA-N 0 3 291.395 1.984 20 10 CDCDHN Cc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c([O-])cc1Br ZINC001236019271 914543668 /nfs/dbraw/zinc/54/36/68/914543668.db2.gz BXSISZIPFJSQHV-ZWNOBZJWSA-N 0 3 297.196 1.996 20 10 CDCDHN COc1cc(CN2CCC[C@@H]2C(C)(C)O)cc(O)c1O ZINC001204346494 917963671 /nfs/dbraw/zinc/96/36/71/917963671.db2.gz SFHTXWKXCQQJLP-CYBMUJFWSA-N 0 3 281.352 1.842 20 10 CDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1COCCO1 ZINC000827139979 936492663 /nfs/dbraw/zinc/49/26/63/936492663.db2.gz FQWLBTDHQSRGLN-GFCCVEGCSA-N 0 3 255.289 1.379 20 10 CDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1COCCO1 ZINC000827139979 936492665 /nfs/dbraw/zinc/49/26/65/936492665.db2.gz FQWLBTDHQSRGLN-GFCCVEGCSA-N 0 3 255.289 1.379 20 10 CDCDHN O[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001138495999 936543012 /nfs/dbraw/zinc/54/30/12/936543012.db2.gz MHDQEUWJJBAPDU-CVEARBPZSA-N 0 3 294.370 1.428 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1[O-] ZINC001203585502 919041797 /nfs/dbraw/zinc/04/17/97/919041797.db2.gz OBHFLDBUIXHXIP-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c1[O-] ZINC001203585502 919041807 /nfs/dbraw/zinc/04/18/07/919041807.db2.gz OBHFLDBUIXHXIP-YPMHNXCESA-N 0 3 265.353 1.994 20 10 CDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1F ZINC000827905923 936613826 /nfs/dbraw/zinc/61/38/26/936613826.db2.gz CMYAXKPKYUKACU-JTQLQIEISA-N 0 3 289.301 1.490 20 10 CDCDHN CN1CCN(c2ccc(CN3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001139413549 936618289 /nfs/dbraw/zinc/61/82/89/936618289.db2.gz WEKLMERSKMHSBH-CALCHBBNSA-N 0 3 287.407 1.412 20 10 CDCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055433 936674462 /nfs/dbraw/zinc/67/44/62/936674462.db2.gz XZTXXRDVKNYNLZ-NSHDSACASA-N 0 3 280.343 1.832 20 10 CDCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055433 936674463 /nfs/dbraw/zinc/67/44/63/936674463.db2.gz XZTXXRDVKNYNLZ-NSHDSACASA-N 0 3 280.343 1.832 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140057135 936675150 /nfs/dbraw/zinc/67/51/50/936675150.db2.gz CSOTYFHRXMIVBH-DGCLKSJQSA-N 0 3 257.280 1.826 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140057135 936675151 /nfs/dbraw/zinc/67/51/51/936675151.db2.gz CSOTYFHRXMIVBH-DGCLKSJQSA-N 0 3 257.280 1.826 20 10 CDCDHN Cc1ccc(C)c(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001140181229 936685065 /nfs/dbraw/zinc/68/50/65/936685065.db2.gz QSPTZJOYRBIZHQ-VNQPRFMTSA-N 0 3 291.391 1.981 20 10 CDCDHN CCN(CC)c1ccc(CN2CCN(C)CC2)c(O)c1 ZINC001140851146 936764456 /nfs/dbraw/zinc/76/44/56/936764456.db2.gz DHRIPYNRLQMLSM-UHFFFAOYSA-N 0 3 277.412 1.986 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001140948141 936782289 /nfs/dbraw/zinc/78/22/89/936782289.db2.gz VHUJWHPOYDFOLQ-STQMWFEESA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001140948141 936782290 /nfs/dbraw/zinc/78/22/90/936782290.db2.gz VHUJWHPOYDFOLQ-STQMWFEESA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001140948156 936782433 /nfs/dbraw/zinc/78/24/33/936782433.db2.gz VWJLQJGIDZBZAP-LSDHHAIUSA-N 0 3 265.353 1.266 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001140948156 936782434 /nfs/dbraw/zinc/78/24/34/936782434.db2.gz VWJLQJGIDZBZAP-LSDHHAIUSA-N 0 3 265.353 1.266 20 10 CDCDHN CN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285564 925745059 /nfs/dbraw/zinc/74/50/59/925745059.db2.gz SETBSWTWMWMEEZ-HNNXBMFYSA-N 0 3 278.327 1.586 20 10 CDCDHN CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285564 925745062 /nfs/dbraw/zinc/74/50/62/925745062.db2.gz SETBSWTWMWMEEZ-HNNXBMFYSA-N 0 3 278.327 1.586 20 10 CDCDHN C[C@@H](NC/C=C\CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509404 927437838 /nfs/dbraw/zinc/43/78/38/927437838.db2.gz PPFATYCEVFCJDJ-XQJDBVBESA-N 0 3 294.370 1.861 20 10 CDCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1O ZINC000783728307 937279468 /nfs/dbraw/zinc/27/94/68/937279468.db2.gz GPKQWXCAMHGGEN-CQSZACIVSA-N 0 3 279.336 1.714 20 10 CDCDHN CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000858577395 928890141 /nfs/dbraw/zinc/89/01/41/928890141.db2.gz BSRZQIHKWSUBOV-ZJUUUORDSA-N 0 3 252.314 1.451 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001203604045 939695823 /nfs/dbraw/zinc/69/58/23/939695823.db2.gz ZZXGEHXYSHAIKE-HOCLYGCPSA-N 0 3 295.379 1.356 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001203621556 939697462 /nfs/dbraw/zinc/69/74/62/939697462.db2.gz XCXZSBIKHQKWMC-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001203621556 939697463 /nfs/dbraw/zinc/69/74/63/939697463.db2.gz XCXZSBIKHQKWMC-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN C[C@@]1(O)CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204273083 939750363 /nfs/dbraw/zinc/75/03/63/939750363.db2.gz XFHABJLUBOOZLV-CQSZACIVSA-N 0 3 251.326 1.835 20 10 CDCDHN C[C@@]1(O)CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204273083 939750366 /nfs/dbraw/zinc/75/03/66/939750366.db2.gz XFHABJLUBOOZLV-CQSZACIVSA-N 0 3 251.326 1.835 20 10 CDCDHN O[C@@H]1COCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323157 939755836 /nfs/dbraw/zinc/75/58/36/939755836.db2.gz FKHQXNALJSETMF-INIZCTEOSA-N 0 3 276.380 1.480 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(O)cc2O)C[C@H]1C ZINC001231637947 942954490 /nfs/dbraw/zinc/95/44/90/942954490.db2.gz RIIQCAFEMNKWAL-LLVKDONJSA-N 0 3 280.368 1.632 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001237493058 944815006 /nfs/dbraw/zinc/81/50/06/944815006.db2.gz VHIXANSRCRGQJB-UHFFFAOYSA-N 0 3 290.363 1.182 20 10 CDCDHN Cc1cc(F)cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001238065712 945047527 /nfs/dbraw/zinc/04/75/27/945047527.db2.gz ZKPPTQZMTDDMEJ-CYBMUJFWSA-N 0 3 285.359 1.793 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001238065712 945047534 /nfs/dbraw/zinc/04/75/34/945047534.db2.gz ZKPPTQZMTDDMEJ-CYBMUJFWSA-N 0 3 285.359 1.793 20 10 CDCDHN CCOC(=O)C[C@H](O)CN1CCc2cccc(O)c2C1 ZINC001253798983 952123980 /nfs/dbraw/zinc/12/39/80/952123980.db2.gz JPLFANXBMWFPHZ-LBPRGKRZSA-N 0 3 279.336 1.064 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC001308858369 956588314 /nfs/dbraw/zinc/58/83/14/956588314.db2.gz CVRRSHKXESYLSZ-WBMJQRKESA-N 0 3 295.379 1.850 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c([O-])cccc1OC ZINC001321868629 959995529 /nfs/dbraw/zinc/99/55/29/959995529.db2.gz SDUINWVGTLBBMX-ZYHUDNBSSA-N 0 3 279.336 1.832 20 10 CDCDHN CCCOc1ccc(C[NH2+]CCN(CC)CCO)c([O-])c1 ZINC000274411639 365655601 /nfs/dbraw/zinc/65/56/01/365655601.db2.gz OUXDRNUUCDLKAL-UHFFFAOYSA-N 0 3 296.411 1.585 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000092764667 342418812 /nfs/dbraw/zinc/41/88/12/342418812.db2.gz QXUOXLWZAQPPJY-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000092764667 342418813 /nfs/dbraw/zinc/41/88/13/342418813.db2.gz QXUOXLWZAQPPJY-LLVKDONJSA-N 0 3 251.326 1.605 20 10 CDCDHN Nc1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000035825533 356202117 /nfs/dbraw/zinc/20/21/17/356202117.db2.gz MRKCKHNFSSBPBD-UHFFFAOYSA-N 0 3 261.369 1.413 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751860 356924822 /nfs/dbraw/zinc/92/48/22/356924822.db2.gz SLQXYFPUUZSARD-NSHDSACASA-N 0 3 250.342 1.830 20 10 CDCDHN Cc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000179637003 357216651 /nfs/dbraw/zinc/21/66/51/357216651.db2.gz RZFDAXJOTLFEAX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC000179637003 357216656 /nfs/dbraw/zinc/21/66/56/357216656.db2.gz RZFDAXJOTLFEAX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC000179637003 357216660 /nfs/dbraw/zinc/21/66/60/357216660.db2.gz RZFDAXJOTLFEAX-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000185802623 357578782 /nfs/dbraw/zinc/57/87/82/357578782.db2.gz UKXKOQKHHKBLMQ-WDEREUQCSA-N 0 3 278.352 1.700 20 10 CDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000193588511 290598573 /nfs/dbraw/zinc/59/85/73/290598573.db2.gz DRIVEPKQWPJAID-SMDDNHRTSA-N 0 3 261.369 1.367 20 10 CDCDHN COc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188843710 357944723 /nfs/dbraw/zinc/94/47/23/357944723.db2.gz FUVPNDOABZGLHN-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN COc1cccc(C[N@@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188843710 357944727 /nfs/dbraw/zinc/94/47/27/357944727.db2.gz FUVPNDOABZGLHN-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000294858621 199217451 /nfs/dbraw/zinc/21/74/51/199217451.db2.gz CXVPIZLMWKCZSM-LBPRGKRZSA-N 0 3 262.353 1.740 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000294858621 199217453 /nfs/dbraw/zinc/21/74/53/199217453.db2.gz CXVPIZLMWKCZSM-LBPRGKRZSA-N 0 3 262.353 1.740 20 10 CDCDHN Cc1cc(O)c(CN2CCCN(C(N)=O)CC2)cc1C ZINC000092754095 360283795 /nfs/dbraw/zinc/28/37/95/360283795.db2.gz XNHFZLRZPVRYLI-UHFFFAOYSA-N 0 3 277.368 1.595 20 10 CDCDHN CCNC(=O)[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000293631119 370721946 /nfs/dbraw/zinc/72/19/46/370721946.db2.gz LKJKTCPXPSELOX-ZDUSSCGKSA-N 0 3 264.369 1.951 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@]2(O)CCOC2)cc1F ZINC000270012881 364423586 /nfs/dbraw/zinc/42/35/86/364423586.db2.gz UUKDPOXJTAYVCF-MRXNPFEDSA-N 0 3 296.386 1.913 20 10 CDCDHN COCCN(CCOC)Cc1cc(OC)c(OC)cc1O ZINC000271108743 364927612 /nfs/dbraw/zinc/92/76/12/364927612.db2.gz SSOGSIUDDBPQOL-UHFFFAOYSA-N 0 3 299.367 1.504 20 10 CDCDHN COc1cc(O)c(CN[C@@H](C)c2cn[nH]c2)cc1OC ZINC000271799907 364999274 /nfs/dbraw/zinc/99/92/74/364999274.db2.gz INXWYIQQDZUZGT-VIFPVBQESA-N 0 3 277.324 1.983 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000168867799 365008550 /nfs/dbraw/zinc/00/85/50/365008550.db2.gz CRCXFTRKWGOHBI-LXIMFEHMSA-N 0 3 271.382 1.818 20 10 CDCDHN Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)c([O-])c1O ZINC000273029116 365464411 /nfs/dbraw/zinc/46/44/11/365464411.db2.gz SLYYYYHVLSMXMF-UHFFFAOYSA-N 0 3 292.379 1.868 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000273584271 365510745 /nfs/dbraw/zinc/51/07/45/365510745.db2.gz NIGJHMANOVRCLA-OLZOCXBDSA-N 0 3 294.395 1.772 20 10 CDCDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282325743 367832394 /nfs/dbraw/zinc/83/23/94/367832394.db2.gz LHKBBMCIQJTIJJ-BXUZGUMPSA-N 0 3 292.379 1.938 20 10 CDCDHN CCOc1cccc(CN[C@@H](C)C(=O)NCCF)c1O ZINC000282780940 368036094 /nfs/dbraw/zinc/03/60/94/368036094.db2.gz VQDYSKFHUJEVQH-JTQLQIEISA-N 0 3 284.331 1.355 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000284438837 368520496 /nfs/dbraw/zinc/52/04/96/368520496.db2.gz SOVZHKZEOPJMBT-KBPBESRZSA-N 0 3 278.396 1.588 20 10 CDCDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285428014 368627881 /nfs/dbraw/zinc/62/78/81/368627881.db2.gz HFSQZPMEKIZVPO-UHFFFAOYSA-N 0 3 295.335 1.800 20 10 CDCDHN C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000294209468 370995694 /nfs/dbraw/zinc/99/56/94/370995694.db2.gz QMNWECLUBCDMBC-INIZCTEOSA-N 0 3 290.363 1.656 20 10 CDCDHN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC000294209468 370995699 /nfs/dbraw/zinc/99/56/99/370995699.db2.gz QMNWECLUBCDMBC-INIZCTEOSA-N 0 3 290.363 1.656 20 10 CDCDHN C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000272930045 371136004 /nfs/dbraw/zinc/13/60/04/371136004.db2.gz ZJUJCYZZLKMJMG-NEPJUHHUSA-N 0 3 298.408 1.467 20 10 CDCDHN CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000134230780 375619916 /nfs/dbraw/zinc/61/99/16/375619916.db2.gz REPUGCCIHDYZQO-WDEREUQCSA-N 0 3 250.342 1.785 20 10 CDCDHN O[C@H]1COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294887962 378654711 /nfs/dbraw/zinc/65/47/11/378654711.db2.gz WGSSGXMNWJVORO-QGZVFWFLSA-N 0 3 290.407 1.870 20 10 CDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000119918641 390860707 /nfs/dbraw/zinc/86/07/07/390860707.db2.gz XNFFMKOOEDNWNP-LBPRGKRZSA-N 0 3 262.353 1.706 20 10 CDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000119918641 390860709 /nfs/dbraw/zinc/86/07/09/390860709.db2.gz XNFFMKOOEDNWNP-LBPRGKRZSA-N 0 3 262.353 1.706 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CCCN2CCN(C)CC2)c1 ZINC000020128543 171015326 /nfs/dbraw/zinc/01/53/26/171015326.db2.gz SLUBLOCTJJVEAB-UHFFFAOYSA-N 0 3 293.411 1.128 20 10 CDCDHN CCN(CC)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1F ZINC000157123572 261140668 /nfs/dbraw/zinc/14/06/68/261140668.db2.gz DNWXSYXUHFZGIB-ZDUSSCGKSA-N 0 3 293.386 1.979 20 10 CDCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000183547656 261979842 /nfs/dbraw/zinc/97/98/42/261979842.db2.gz FTHRPIQNRPSJDJ-TZMCWYRMSA-N 0 3 292.379 1.680 20 10 CDCDHN COC(=O)N1CC([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000186137843 262080869 /nfs/dbraw/zinc/08/08/69/262080869.db2.gz FSLVPMFMLRJFOT-MRVPVSSYSA-N 0 3 268.288 1.633 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000186146099 262082143 /nfs/dbraw/zinc/08/21/43/262082143.db2.gz SCSKEVNJIATUIE-NSHDSACASA-N 0 3 251.326 1.360 20 10 CDCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186203154 262084609 /nfs/dbraw/zinc/08/46/09/262084609.db2.gz NHWORQDBNWOKHD-RYUDHWBXSA-N 0 3 253.342 1.749 20 10 CDCDHN COc1cccc(C[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000134225157 264503027 /nfs/dbraw/zinc/50/30/27/264503027.db2.gz OGKFNAMPYPRAMB-UHFFFAOYSA-N 0 3 264.325 1.017 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000377724627 329027081 /nfs/dbraw/zinc/02/70/81/329027081.db2.gz OYMFGTGIFXSMQJ-AWEZNQCLSA-N 0 3 286.379 1.803 20 10 CDCDHN C[C@H](CC[S@@](C)=O)NCc1ccc2c(c1)CCO2 ZINC000122754575 329553854 /nfs/dbraw/zinc/55/38/54/329553854.db2.gz FPOOSGTWBWQBEB-ZMZPIMSZSA-N 0 3 267.394 1.868 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](C)OC ZINC000291139657 521295879 /nfs/dbraw/zinc/29/58/79/521295879.db2.gz OXBVXHFQNWSVTD-JTQLQIEISA-N 0 3 267.325 1.978 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](C)OC ZINC000291139657 521295888 /nfs/dbraw/zinc/29/58/88/521295888.db2.gz OXBVXHFQNWSVTD-JTQLQIEISA-N 0 3 267.325 1.978 20 10 CDCDHN CCN(C)C(=O)[C@H](C)NCc1cc(OC)ccc1O ZINC000188468669 520215543 /nfs/dbraw/zinc/21/55/43/520215543.db2.gz DFESZYBBRXTLNQ-JTQLQIEISA-N 0 3 266.341 1.357 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289419742 521152855 /nfs/dbraw/zinc/15/28/55/521152855.db2.gz IZIMKFYVUPULGZ-UHFFFAOYSA-N 0 3 294.395 1.603 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000068800169 521366232 /nfs/dbraw/zinc/36/62/32/521366232.db2.gz FAGDUGHSUJFAEC-AWEZNQCLSA-N 0 3 293.411 1.126 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCO1 ZINC000278784943 522360376 /nfs/dbraw/zinc/36/03/76/522360376.db2.gz ZQBGMNAXIKVBSP-YPMHNXCESA-N 0 3 295.335 1.405 20 10 CDCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000279347687 522748112 /nfs/dbraw/zinc/74/81/12/522748112.db2.gz FXOYMJGXNCWNFZ-JSGCOSHPSA-N 0 3 269.316 1.815 20 10 CDCDHN Cc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278766180 524438260 /nfs/dbraw/zinc/43/82/60/524438260.db2.gz UFFPUFLZUHDFQT-AWEZNQCLSA-N 0 3 251.326 1.332 20 10 CDCDHN COc1ccc(O)c(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291375097 524738389 /nfs/dbraw/zinc/73/83/89/524738389.db2.gz ZSLLTRZKZBXIKU-NSHDSACASA-N 0 3 287.306 1.850 20 10 CDCDHN Nc1ccc(CC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000037042439 527477159 /nfs/dbraw/zinc/47/71/59/527477159.db2.gz ICSVYMBYDLZPDR-UHFFFAOYSA-N 0 3 273.380 1.554 20 10 CDCDHN CN1CCC(CCO)([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000771180307 575555000 /nfs/dbraw/zinc/55/50/00/575555000.db2.gz WFICVKUYQYSPSD-UHFFFAOYSA-N 0 3 282.359 1.468 20 10 CDCDHN CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000771765630 575609091 /nfs/dbraw/zinc/60/90/91/575609091.db2.gz CMKLXXSKKLWXIT-ZUZCIYMTSA-N 0 3 297.351 1.366 20 10 CDCDHN CCOC(=O)[C@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000771765630 575609092 /nfs/dbraw/zinc/60/90/92/575609092.db2.gz CMKLXXSKKLWXIT-ZUZCIYMTSA-N 0 3 297.351 1.366 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c1 ZINC000765794797 576056295 /nfs/dbraw/zinc/05/62/95/576056295.db2.gz FQHMYQANNFTFEM-ZIAGYGMSSA-N 0 3 292.379 1.795 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(C(N)=O)CC1 ZINC000768140815 576259957 /nfs/dbraw/zinc/25/99/57/576259957.db2.gz LXLYBULLHJSFMK-UHFFFAOYSA-N 0 3 264.325 1.098 20 10 CDCDHN CCOc1ccc(CN2CCCN(C(C)=O)CC2)c(O)c1 ZINC000768215834 576264891 /nfs/dbraw/zinc/26/48/91/576264891.db2.gz NFTABLDLYCVYMM-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN CC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441235 576283583 /nfs/dbraw/zinc/28/35/83/576283583.db2.gz XLFQGRWVQNSLNP-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN CC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441235 576283586 /nfs/dbraw/zinc/28/35/86/576283586.db2.gz XLFQGRWVQNSLNP-ZDUSSCGKSA-N 0 3 267.325 1.286 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000768448091 576284027 /nfs/dbraw/zinc/28/40/27/576284027.db2.gz BKRVGTSVDVJQNL-GWCFXTLKSA-N 0 3 265.309 1.039 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000768448091 576284028 /nfs/dbraw/zinc/28/40/28/576284028.db2.gz BKRVGTSVDVJQNL-GWCFXTLKSA-N 0 3 265.309 1.039 20 10 CDCDHN CCOc1cccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC000769483545 576358162 /nfs/dbraw/zinc/35/81/62/576358162.db2.gz OHUFRCVQRGYRKS-ZFWWWQNUSA-N 0 3 292.379 1.306 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2COCCO2)cc1C ZINC000742367589 576597945 /nfs/dbraw/zinc/59/79/45/576597945.db2.gz FIERKFFOUSMLDE-CYBMUJFWSA-N 0 3 251.326 1.514 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCN(C)C2)cc1C ZINC000762570249 576655122 /nfs/dbraw/zinc/65/51/22/576655122.db2.gz ZPGFBVYLVCVVNY-OAHLLOKOSA-N 0 3 264.369 1.165 20 10 CDCDHN C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756659288 576998955 /nfs/dbraw/zinc/99/89/55/576998955.db2.gz COIUSXHYBBFEKV-NQMVMOMDSA-N 0 3 266.316 1.933 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)COC2)c([O-])c1C ZINC000756761683 577003184 /nfs/dbraw/zinc/00/31/84/577003184.db2.gz RBOZBLPJVGAJKX-GFCCVEGCSA-N 0 3 265.353 1.669 20 10 CDCDHN CN(C)C(=O)NCCN(C)Cc1cc(F)ccc1O ZINC000757865584 577058593 /nfs/dbraw/zinc/05/85/93/577058593.db2.gz NECBKSBZRJTAPG-UHFFFAOYSA-N 0 3 269.320 1.234 20 10 CDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CN1CCOCC1 ZINC000892580804 617517521 /nfs/dbraw/zinc/51/75/21/617517521.db2.gz NLAGIKLYDZGWSU-CYBMUJFWSA-N 0 3 264.369 1.511 20 10 CDCDHN CN(C)c1ccc([C@@H](CNCc2ncc[nH]2)N(C)C)cc1 ZINC000898451687 621742225 /nfs/dbraw/zinc/74/22/25/621742225.db2.gz NPYJYWJJTQMXDE-OAHLLOKOSA-N 0 3 287.411 1.868 20 10 CDCDHN Cc1ccc(O)c(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000154125746 632051969 /nfs/dbraw/zinc/05/19/69/632051969.db2.gz QZCNBXSOEXZMDK-CYBMUJFWSA-N 0 3 298.408 1.214 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000879647613 1166390501 /nfs/dbraw/zinc/39/05/01/1166390501.db2.gz GDOQPVCURCIREY-NWDGAFQWSA-N 0 3 278.352 1.290 20 10 CDCDHN CC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CNC1 ZINC001576545333 1171451485 /nfs/dbraw/zinc/45/14/85/1171451485.db2.gz KAMPXXIXVSGFLS-UHFFFAOYSA-N 0 3 289.148 1.745 20 10 CDCDHN CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001578221542 1171837998 /nfs/dbraw/zinc/83/79/98/1171837998.db2.gz CVPLSTGGYTXJBY-OAHLLOKOSA-N 0 3 275.396 1.983 20 10 CDCDHN COc1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)c([O-])c1 ZINC000230204850 818216162 /nfs/dbraw/zinc/21/61/62/818216162.db2.gz BBCYNXANLPKTGK-LBPRGKRZSA-N 0 3 267.325 1.642 20 10 CDCDHN O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000069141947 818263078 /nfs/dbraw/zinc/26/30/78/818263078.db2.gz YHUKLQCKSXWIEZ-LLVKDONJSA-N 0 3 255.339 1.059 20 10 CDCDHN CCS(=O)(=O)C[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000775396959 818275924 /nfs/dbraw/zinc/27/59/24/818275924.db2.gz YZCJGNYTJJBBAG-ZDUSSCGKSA-N 0 3 298.452 1.974 20 10 CDCDHN [O-]c1c(Br)cccc1CNC[C@H]1CCC[NH2+]1 ZINC000841035704 818544361 /nfs/dbraw/zinc/54/43/61/818544361.db2.gz KEAWJYDKSDHTEA-SNVBAGLBSA-N 0 3 285.185 1.996 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCNC(=O)C[C@H]1C ZINC000840945714 818875178 /nfs/dbraw/zinc/87/51/78/818875178.db2.gz WHAGWCFYXZXTSE-CYBMUJFWSA-N 0 3 275.396 1.771 20 10 CDCDHN C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccccc1[O-] ZINC000789765772 819020300 /nfs/dbraw/zinc/02/03/00/819020300.db2.gz RPZZMCBAQOISBT-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccccc1[O-] ZINC000789765772 819020305 /nfs/dbraw/zinc/02/03/05/819020305.db2.gz RPZZMCBAQOISBT-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN Fc1cc(CN[C@@H]2CCOC2)cc(F)c1N1CCOCC1 ZINC000839146714 819124597 /nfs/dbraw/zinc/12/45/97/819124597.db2.gz RWVHJCSSJJFKJP-GFCCVEGCSA-N 0 3 298.333 1.680 20 10 CDCDHN Cc1ccc(O)c(CNS(=O)(=O)CCCN(C)C)c1 ZINC000867558746 819161991 /nfs/dbraw/zinc/16/19/91/819161991.db2.gz AQCJBGOCGHQBKD-UHFFFAOYSA-N 0 3 286.397 1.072 20 10 CDCDHN COC(=O)N[C@H]1CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000884485019 819204021 /nfs/dbraw/zinc/20/40/21/819204021.db2.gz KETWKSQZAJXSSI-LBPRGKRZSA-N 0 3 294.351 1.640 20 10 CDCDHN CCN1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000846208377 819260026 /nfs/dbraw/zinc/26/00/26/819260026.db2.gz JBLJNJMBDRKVQW-AAEUAGOBSA-N 0 3 274.364 1.838 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H](C)CN1CCOCC1 ZINC000921531949 819609124 /nfs/dbraw/zinc/60/91/24/819609124.db2.gz GUDBBEBBWOGJRA-GFCCVEGCSA-N 0 3 280.368 1.211 20 10 CDCDHN COc1cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493171 819674465 /nfs/dbraw/zinc/67/44/65/819674465.db2.gz ZTXDYQIXWWSLIX-JTQLQIEISA-N 0 3 280.368 1.794 20 10 CDCDHN CCOc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000313235143 819706172 /nfs/dbraw/zinc/70/61/72/819706172.db2.gz TYQPEGWFSBBHLQ-ZYHUDNBSSA-N 0 3 299.392 1.456 20 10 CDCDHN C[NH+](C)C[C@](C)(O)CNCc1cc(F)cc(F)c1[O-] ZINC000708534560 819815407 /nfs/dbraw/zinc/81/54/07/819815407.db2.gz AHLDGBNUOGFDPW-CYBMUJFWSA-N 0 3 274.311 1.073 20 10 CDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)N)cc1 ZINC000826020649 820045713 /nfs/dbraw/zinc/04/57/13/820045713.db2.gz VQUCHHYJDOGOBC-LBPRGKRZSA-N 0 3 263.385 1.838 20 10 CDCDHN Cc1cc(Cn2cc([C@@H](C)N)nn2)ccc1N(C)C ZINC000881377478 820098577 /nfs/dbraw/zinc/09/85/77/820098577.db2.gz OGZKPDLYKLOBPB-LLVKDONJSA-N 0 3 259.357 1.721 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc3n2CCC3)c([O-])c1 ZINC000719851808 820372902 /nfs/dbraw/zinc/37/29/02/820372902.db2.gz NUFPZKVFNJLMSG-UHFFFAOYSA-N 0 3 273.336 1.833 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCNC(=O)C[C@@H]1C ZINC000840945724 820526921 /nfs/dbraw/zinc/52/69/21/820526921.db2.gz WHAGWCFYXZXTSE-ZDUSSCGKSA-N 0 3 275.396 1.771 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000877072946 820823485 /nfs/dbraw/zinc/82/34/85/820823485.db2.gz YLLKSJUXSHNIDZ-CQSZACIVSA-N 0 3 261.325 1.257 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)CCF)c([O-])c1 ZINC000846097247 821303274 /nfs/dbraw/zinc/30/32/74/821303274.db2.gz OILIPPUDNGBCIC-NSHDSACASA-N 0 3 257.305 1.601 20 10 CDCDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccccc1[O-] ZINC000839196351 821622194 /nfs/dbraw/zinc/62/21/94/821622194.db2.gz UXTUDYDDUFUUPT-SCRDCRAPSA-N 0 3 251.326 1.847 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c([O-])c1 ZINC000840825324 821856156 /nfs/dbraw/zinc/85/61/56/821856156.db2.gz DWHHFRDGZMTSJF-NEPJUHHUSA-N 0 3 262.353 1.877 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCNc1ncccn1 ZINC000779044622 822061654 /nfs/dbraw/zinc/06/16/54/822061654.db2.gz APQYQUJRYFDCPI-UHFFFAOYSA-N 0 3 276.315 1.913 20 10 CDCDHN Cc1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877648355 822222261 /nfs/dbraw/zinc/22/22/61/822222261.db2.gz FCBJTRAMMMGHHC-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877648355 822222276 /nfs/dbraw/zinc/22/22/76/822222276.db2.gz FCBJTRAMMMGHHC-ZDUSSCGKSA-N 0 3 262.353 1.753 20 10 CDCDHN CCc1cccc(CN(CC)[C@H]2CCNC2=O)c1O ZINC000848909691 822446219 /nfs/dbraw/zinc/44/62/19/822446219.db2.gz ZQTAWPJAJAPNSH-ZDUSSCGKSA-N 0 3 262.353 1.665 20 10 CDCDHN Cc1ccc(C(=O)NOC2CC[NH+](C)CC2)c([O-])c1O ZINC000854358417 822518014 /nfs/dbraw/zinc/51/80/14/822518014.db2.gz XKBLOPCTYNOVKR-UHFFFAOYSA-N 0 3 280.324 1.162 20 10 CDCDHN COCCOCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876901948 822599685 /nfs/dbraw/zinc/59/96/85/822599685.db2.gz IOBZBOOVLPBNTJ-UHFFFAOYSA-N 0 3 253.342 1.843 20 10 CDCDHN C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC000710414295 903242628 /nfs/dbraw/zinc/24/26/28/903242628.db2.gz PVOFQRVMUBXWKG-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN C[N@H+]1CCC[C@@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC000710414295 903242634 /nfs/dbraw/zinc/24/26/34/903242634.db2.gz PVOFQRVMUBXWKG-SNVBAGLBSA-N 0 3 264.325 1.312 20 10 CDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000827500887 921376189 /nfs/dbraw/zinc/37/61/89/921376189.db2.gz NBBUZQNSELQCGD-DKTWLAJQSA-N 0 3 253.273 1.573 20 10 CDCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000697631894 908856305 /nfs/dbraw/zinc/85/63/05/908856305.db2.gz DFNONXCOMXWRHQ-MRVPVSSYSA-N 0 3 261.318 1.054 20 10 CDCDHN CCN1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000391524138 936658870 /nfs/dbraw/zinc/65/88/70/936658870.db2.gz DYCAOOZNDJALBJ-ONGXEEELSA-N 0 3 266.316 1.803 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140057148 936674917 /nfs/dbraw/zinc/67/49/17/936674917.db2.gz CSOTYFHRXMIVBH-YPMHNXCESA-N 0 3 257.280 1.826 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140057148 936674918 /nfs/dbraw/zinc/67/49/18/936674918.db2.gz CSOTYFHRXMIVBH-YPMHNXCESA-N 0 3 257.280 1.826 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140947846 936782382 /nfs/dbraw/zinc/78/23/82/936782382.db2.gz IDAJUTZMWGBUJU-BBRMVZONSA-N 0 3 291.347 1.322 20 10 CDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140947846 936782383 /nfs/dbraw/zinc/78/23/83/936782383.db2.gz IDAJUTZMWGBUJU-BBRMVZONSA-N 0 3 291.347 1.322 20 10 CDCDHN Cc1ccc(CN2CCN(c3cncnc3)CC2)c(O)c1 ZINC001140957540 936784117 /nfs/dbraw/zinc/78/41/17/936784117.db2.gz CZATYTSPTLQEGZ-UHFFFAOYSA-N 0 3 284.363 1.813 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000710914615 923255011 /nfs/dbraw/zinc/25/50/11/923255011.db2.gz YBMDSRVYANIGPN-XTWCZFFVSA-N 0 3 255.289 1.332 20 10 CDCDHN CN(C)c1cc(F)c(CN[C@@H]2CCOC[C@H]2O)cc1F ZINC000858301265 928833319 /nfs/dbraw/zinc/83/33/19/928833319.db2.gz TTYOEUHWASYJCJ-TZMCWYRMSA-N 0 3 286.322 1.270 20 10 CDCDHN CON(C)C(=O)[C@@H](C)NCc1cccc(C)c1O ZINC000862542324 929424471 /nfs/dbraw/zinc/42/44/71/929424471.db2.gz MEAAMUJOPNIXHO-SNVBAGLBSA-N 0 3 252.314 1.199 20 10 CDCDHN CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](CO)C1 ZINC001119246911 937702995 /nfs/dbraw/zinc/70/29/95/937702995.db2.gz LCRJHCLJEWMVHE-QGZVFWFLSA-N 0 3 289.423 1.395 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001203620641 939696994 /nfs/dbraw/zinc/69/69/94/939696994.db2.gz GTGZKHWXXJWAIA-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001203620641 939696996 /nfs/dbraw/zinc/69/69/96/939696996.db2.gz GTGZKHWXXJWAIA-QMTHXVAHSA-N 0 3 251.326 1.604 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001204274704 939749780 /nfs/dbraw/zinc/74/97/80/939749780.db2.gz GXQKGEZONBLXRL-ZDUSSCGKSA-N 0 3 278.352 1.004 20 10 CDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001204274704 939749783 /nfs/dbraw/zinc/74/97/83/939749783.db2.gz GXQKGEZONBLXRL-ZDUSSCGKSA-N 0 3 278.352 1.004 20 10 CDCDHN CC[N@H+](CCCC(=O)OC)Cc1ccc(O)cc1[O-] ZINC001204276018 939750313 /nfs/dbraw/zinc/75/03/13/939750313.db2.gz DLLQAQIQNSWPMC-UHFFFAOYSA-N 0 3 267.325 1.873 20 10 CDCDHN CC[N@@H+](CCCC(=O)OC)Cc1ccc(O)cc1[O-] ZINC001204276018 939750316 /nfs/dbraw/zinc/75/03/16/939750316.db2.gz DLLQAQIQNSWPMC-UHFFFAOYSA-N 0 3 267.325 1.873 20 10 CDCDHN O=C1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281765 939752843 /nfs/dbraw/zinc/75/28/43/939752843.db2.gz IPKRJFUGHIEQMU-GWCFXTLKSA-N 0 3 261.321 1.899 20 10 CDCDHN O=C1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281765 939752844 /nfs/dbraw/zinc/75/28/44/939752844.db2.gz IPKRJFUGHIEQMU-GWCFXTLKSA-N 0 3 261.321 1.899 20 10 CDCDHN Nc1ccncc1CN1CCc2cccc(O)c2C1 ZINC001209737918 940635279 /nfs/dbraw/zinc/63/52/79/940635279.db2.gz UEFOCQCMUGFRNQ-UHFFFAOYSA-N 0 3 255.321 1.758 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442514 942579357 /nfs/dbraw/zinc/57/93/57/942579357.db2.gz WTIHTNSBFHFQHG-BBRMVZONSA-N 0 3 274.364 1.870 20 10 CDCDHN NC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442514 942579362 /nfs/dbraw/zinc/57/93/62/942579362.db2.gz WTIHTNSBFHFQHG-BBRMVZONSA-N 0 3 274.364 1.870 20 10 CDCDHN COc1cc(N(C)C)ccc1CN1CCN2CC[C@H]2C1 ZINC001231858718 943033193 /nfs/dbraw/zinc/03/31/93/943033193.db2.gz ZDOYXLDRKRXSOJ-HNNXBMFYSA-N 0 3 275.396 1.651 20 10 CDCDHN C[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@H]1O ZINC001233482782 943591648 /nfs/dbraw/zinc/59/16/48/943591648.db2.gz BRXMIJLYGCXXTB-AMIZOPFISA-N 0 3 253.298 1.006 20 10 CDCDHN Cc1cc([O-])c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234986386 943995544 /nfs/dbraw/zinc/99/55/44/943995544.db2.gz CREBZFFPMJRFFS-HNNXBMFYSA-N 0 3 295.814 1.491 20 10 CDCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235676910 944241976 /nfs/dbraw/zinc/24/19/76/944241976.db2.gz WVVAGMNLUMFDLR-UKRRQHHQSA-N 0 3 293.407 1.865 20 10 CDCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001235676910 944241984 /nfs/dbraw/zinc/24/19/84/944241984.db2.gz WVVAGMNLUMFDLR-UKRRQHHQSA-N 0 3 293.407 1.865 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H]1[NH3+] ZINC001236362883 944484855 /nfs/dbraw/zinc/48/48/55/944484855.db2.gz ZMQVNMRMPLIMPZ-ZYHUDNBSSA-N 0 3 298.770 1.286 20 10 CDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(OC)c(OC)cc1O ZINC001236755718 944559622 /nfs/dbraw/zinc/55/96/22/944559622.db2.gz HQQBOYRPOQGFNR-STQMWFEESA-N 0 3 292.379 1.688 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CCSCC2)c([O-])c1 ZINC001249178672 949441900 /nfs/dbraw/zinc/44/19/00/949441900.db2.gz UVXYJPDZEFRQTH-UHFFFAOYSA-N 0 3 281.377 1.657 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC001249201148 949452857 /nfs/dbraw/zinc/45/28/57/949452857.db2.gz HMWJDCLRBSUFRJ-MRXNPFEDSA-N 0 3 293.363 1.455 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC001249201148 949452864 /nfs/dbraw/zinc/45/28/64/949452864.db2.gz HMWJDCLRBSUFRJ-MRXNPFEDSA-N 0 3 293.363 1.455 20 10 CDCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@H](O)CO ZINC001249230304 949475096 /nfs/dbraw/zinc/47/50/96/949475096.db2.gz BQSTYAQCEDQVFW-LBPRGKRZSA-N 0 3 293.363 1.361 20 10 CDCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@H](O)CO ZINC001249230304 949475111 /nfs/dbraw/zinc/47/51/11/949475111.db2.gz BQSTYAQCEDQVFW-LBPRGKRZSA-N 0 3 293.363 1.361 20 10 CDCDHN CCOC(=O)C[C@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001253799013 952124051 /nfs/dbraw/zinc/12/40/51/952124051.db2.gz LVAGFALVTDDRLN-ZDUSSCGKSA-N 0 3 281.352 1.528 20 10 CDCDHN CCOC(=O)C[C@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001253799013 952124057 /nfs/dbraw/zinc/12/40/57/952124057.db2.gz LVAGFALVTDDRLN-ZDUSSCGKSA-N 0 3 281.352 1.528 20 10 CDCDHN CCN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O ZINC001327031280 954667358 /nfs/dbraw/zinc/66/73/58/954667358.db2.gz KLWCCPMADGKWPV-INIZCTEOSA-N 0 3 287.407 1.997 20 10 CDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C ZINC001337070856 960912780 /nfs/dbraw/zinc/91/27/80/960912780.db2.gz YHOWLGVGKILBPY-GHMZBOCLSA-N 0 3 262.357 1.161 20 10 CDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N)cc1 ZINC001345159512 964611280 /nfs/dbraw/zinc/61/12/80/964611280.db2.gz JHLJQINFFRFBGN-CQSZACIVSA-N 0 3 266.341 1.327 20 10 CDCDHN CCOc1ccc(C[NH2+]Cc2cncn2C)c([O-])c1 ZINC000810160034 1163176672 /nfs/dbraw/zinc/17/66/72/1163176672.db2.gz RHQCZVNOTRQHFX-UHFFFAOYSA-N 0 3 261.325 1.814 20 10 CDCDHN NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000269262045 539052958 /nfs/dbraw/zinc/05/29/58/539052958.db2.gz WSYJSSKMFLNTHO-UHFFFAOYSA-N 0 3 259.353 1.394 20 10 CDCDHN CCC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801169 356536932 /nfs/dbraw/zinc/53/69/32/356536932.db2.gz MFOZQYCLMAJWQS-AWEZNQCLSA-N 0 3 263.385 1.838 20 10 CDCDHN Nc1ccc(CC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000037812595 356539705 /nfs/dbraw/zinc/53/97/05/356539705.db2.gz JAPKNDBCHQIDJZ-CQSZACIVSA-N 0 3 259.353 1.118 20 10 CDCDHN CNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000042560488 357072060 /nfs/dbraw/zinc/07/20/60/357072060.db2.gz ZGQRLVWUWQBCEK-IUCAKERBSA-N 0 3 252.314 1.186 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180229708 357253862 /nfs/dbraw/zinc/25/38/62/357253862.db2.gz QNLRJNMZPVQJSP-CQSZACIVSA-N 0 3 267.300 1.916 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180229708 357253864 /nfs/dbraw/zinc/25/38/64/357253864.db2.gz QNLRJNMZPVQJSP-CQSZACIVSA-N 0 3 267.300 1.916 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc(C)ccc1O ZINC000188476497 357901877 /nfs/dbraw/zinc/90/18/77/357901877.db2.gz NDZUEHWBOYEBTN-LLVKDONJSA-N 0 3 250.342 1.657 20 10 CDCDHN Cc1cccc(CN2CCN(C[C@@H](C)O)CC2)c1O ZINC000188736462 357932288 /nfs/dbraw/zinc/93/22/88/357932288.db2.gz UMOMGWBZBMYPJN-CYBMUJFWSA-N 0 3 264.369 1.199 20 10 CDCDHN COC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297861588 200295085 /nfs/dbraw/zinc/29/50/85/200295085.db2.gz UCSSRLKKWUBTCM-VXGBXAGGSA-N 0 3 251.326 1.367 20 10 CDCDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875390 364106846 /nfs/dbraw/zinc/10/68/46/364106846.db2.gz ISQXFGSMGPHLMU-LRDDRELGSA-N 0 3 288.395 1.870 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282462244 364112961 /nfs/dbraw/zinc/11/29/61/364112961.db2.gz VSDJFGIHMIRNIG-OVWNDWIMSA-N 0 3 283.393 1.963 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000269359684 364184186 /nfs/dbraw/zinc/18/41/86/364184186.db2.gz JBBDTMCNNITMDX-NSHDSACASA-N 0 3 293.319 1.648 20 10 CDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000269359684 364184191 /nfs/dbraw/zinc/18/41/91/364184191.db2.gz JBBDTMCNNITMDX-NSHDSACASA-N 0 3 293.319 1.648 20 10 CDCDHN CN1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271776839 364997822 /nfs/dbraw/zinc/99/78/22/364997822.db2.gz COYCZKWGAOWTNO-UHFFFAOYSA-N 0 3 277.324 1.652 20 10 CDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000272884095 365431502 /nfs/dbraw/zinc/43/15/02/365431502.db2.gz RHCJALKCYNNSAO-CYBMUJFWSA-N 0 3 291.395 1.207 20 10 CDCDHN CN(CCC[NH+]1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000281684402 367672525 /nfs/dbraw/zinc/67/25/25/367672525.db2.gz KWPCOEOGQYLPFM-UHFFFAOYSA-N 0 3 278.352 1.656 20 10 CDCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864733 368075102 /nfs/dbraw/zinc/07/51/02/368075102.db2.gz UVUZCYJAURFEEM-VXGBXAGGSA-N 0 3 281.375 1.877 20 10 CDCDHN CNC(=O)CCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000273609121 371170645 /nfs/dbraw/zinc/17/06/45/371170645.db2.gz VEMZABRDCSVHRD-NSHDSACASA-N 0 3 250.342 1.877 20 10 CDCDHN CCOc1ccc(O)c(CNCc2n[nH]c(CC)n2)c1 ZINC000296052261 371580257 /nfs/dbraw/zinc/58/02/57/371580257.db2.gz OTDNQDOMRZZJQK-UHFFFAOYSA-N 0 3 276.340 1.761 20 10 CDCDHN Cc1cccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292811570 377553179 /nfs/dbraw/zinc/55/31/79/377553179.db2.gz OWHAJQTVSLSWGT-ZDUSSCGKSA-N 0 3 298.408 1.166 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000188928212 262164723 /nfs/dbraw/zinc/16/47/23/262164723.db2.gz MISAPCKOGFBWPC-UHFFFAOYSA-N 0 3 267.369 1.840 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000188928212 262164724 /nfs/dbraw/zinc/16/47/24/262164724.db2.gz MISAPCKOGFBWPC-UHFFFAOYSA-N 0 3 267.369 1.840 20 10 CDCDHN COc1cccc(C[NH2+]CCSCCCO)c1[O-] ZINC000105643209 390516062 /nfs/dbraw/zinc/51/60/62/390516062.db2.gz JMNOYDUVXYFKIZ-UHFFFAOYSA-N 0 3 271.382 1.606 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665158 390903760 /nfs/dbraw/zinc/90/37/60/390903760.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665158 390903762 /nfs/dbraw/zinc/90/37/62/390903762.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 0 3 290.407 1.855 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@H](O)C2)cc1OC ZINC000183469421 391265531 /nfs/dbraw/zinc/26/55/31/391265531.db2.gz PTGGTPSRYRHFEK-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674519 391344177 /nfs/dbraw/zinc/34/41/77/391344177.db2.gz LVPQLTGFFHQNIK-YMTOWFKASA-N 0 3 262.353 1.623 20 10 CDCDHN Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674519 391344181 /nfs/dbraw/zinc/34/41/81/391344181.db2.gz LVPQLTGFFHQNIK-YMTOWFKASA-N 0 3 262.353 1.623 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@H]2CCCCNC2=O)cc1 ZINC000360306287 391654548 /nfs/dbraw/zinc/65/45/48/391654548.db2.gz WBLHYDRINGPOBO-HNNXBMFYSA-N 0 3 275.396 1.853 20 10 CDCDHN CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1[O-] ZINC000155108919 261098198 /nfs/dbraw/zinc/09/81/98/261098198.db2.gz NXEMHEVFJKQBBR-CYBMUJFWSA-N 0 3 292.379 1.715 20 10 CDCDHN CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1[O-] ZINC000155108819 261098238 /nfs/dbraw/zinc/09/82/38/261098238.db2.gz NXEMHEVFJKQBBR-ZDUSSCGKSA-N 0 3 292.379 1.715 20 10 CDCDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186802589 262110368 /nfs/dbraw/zinc/11/03/68/262110368.db2.gz DTWVBUCMDQWLFF-XBXARRHUSA-N 0 3 290.363 1.664 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000186935607 262117523 /nfs/dbraw/zinc/11/75/23/262117523.db2.gz QWSHYBSFYSWEML-NEPJUHHUSA-N 0 3 292.379 1.948 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000186935607 262117525 /nfs/dbraw/zinc/11/75/25/262117525.db2.gz QWSHYBSFYSWEML-NEPJUHHUSA-N 0 3 292.379 1.948 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000187825129 263269811 /nfs/dbraw/zinc/26/98/11/263269811.db2.gz ITYJSZBQVGCJNQ-GTNSWQLSSA-N 0 3 255.383 1.899 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000125534130 264011772 /nfs/dbraw/zinc/01/17/72/264011772.db2.gz ICQSPVCOXRWSKV-PIGZYNQJSA-N 0 3 255.383 1.947 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccccc1[O-] ZINC000228055261 333293809 /nfs/dbraw/zinc/29/38/09/333293809.db2.gz HIVLFSLCHTXTNZ-ZLDLUXBVSA-N 0 3 265.353 1.973 20 10 CDCDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000230663296 333320015 /nfs/dbraw/zinc/32/00/15/333320015.db2.gz SZIVGHUJBGDCRM-MNOVXSKESA-N 0 3 269.341 1.449 20 10 CDCDHN COc1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1O ZINC000134139013 334081724 /nfs/dbraw/zinc/08/17/24/334081724.db2.gz JSTMTDBMHKFKQO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000134139013 334081725 /nfs/dbraw/zinc/08/17/25/334081725.db2.gz JSTMTDBMHKFKQO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000134139013 334081726 /nfs/dbraw/zinc/08/17/26/334081726.db2.gz JSTMTDBMHKFKQO-CQSZACIVSA-N 0 3 292.379 1.307 20 10 CDCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000280619618 520476985 /nfs/dbraw/zinc/47/69/85/520476985.db2.gz ZRWILVBBGULNIN-CYBMUJFWSA-N 0 3 265.309 1.324 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)C2(N)CC2)cc1F ZINC000236909786 520894957 /nfs/dbraw/zinc/89/49/57/520894957.db2.gz ZEBOTJZROUWYCG-UHFFFAOYSA-N 0 3 279.359 1.779 20 10 CDCDHN CCN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000289938927 521687537 /nfs/dbraw/zinc/68/75/37/521687537.db2.gz YELJUWFWGKFCFN-NSHDSACASA-N 0 3 278.352 1.647 20 10 CDCDHN CCN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000289938923 521687914 /nfs/dbraw/zinc/68/79/14/521687914.db2.gz YELJUWFWGKFCFN-LLVKDONJSA-N 0 3 278.352 1.647 20 10 CDCDHN CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812066 522709598 /nfs/dbraw/zinc/70/95/98/522709598.db2.gz YBACIZUZYCQUQB-KBPBESRZSA-N 0 3 275.352 1.900 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000725846567 574443961 /nfs/dbraw/zinc/44/39/61/574443961.db2.gz HOYGKQGZCJLJTI-ZDUSSCGKSA-N 0 3 267.325 1.296 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCOC1 ZINC000725847684 574444141 /nfs/dbraw/zinc/44/41/41/574444141.db2.gz QFJFEVXRXBXMSV-LLVKDONJSA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)COC)c([O-])c1 ZINC000732672461 575093655 /nfs/dbraw/zinc/09/36/55/575093655.db2.gz JJTBIMPAGGNLDE-CQSZACIVSA-N 0 3 269.341 1.278 20 10 CDCDHN COc1ccc(O)c(CNC(=O)NCCN(C)C2CC2)c1 ZINC000734070459 575155658 /nfs/dbraw/zinc/15/56/58/575155658.db2.gz WDYQORBAWXYPOR-UHFFFAOYSA-N 0 3 293.367 1.294 20 10 CDCDHN COC(=O)C[C@]1(NCc2cccc(OC)c2O)CCOC1 ZINC000766470292 576105236 /nfs/dbraw/zinc/10/52/36/576105236.db2.gz SUFRXDWDJSFKKD-OAHLLOKOSA-N 0 3 295.335 1.213 20 10 CDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776836 576228524 /nfs/dbraw/zinc/22/85/24/576228524.db2.gz YGEZXXFGELJUCG-RYUDHWBXSA-N 0 3 292.379 1.629 20 10 CDCDHN COC(=O)C1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768152387 576261554 /nfs/dbraw/zinc/26/15/54/576261554.db2.gz NPISMAKBGBMQTA-UHFFFAOYSA-N 0 3 279.336 1.786 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2[O-] ZINC000756759872 577003345 /nfs/dbraw/zinc/00/33/45/577003345.db2.gz NCGIJUCAVGRDFD-ONGXEEELSA-N 0 3 281.327 1.678 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000759174485 577157232 /nfs/dbraw/zinc/15/72/32/577157232.db2.gz UFJPWOARZHGPFE-IAQYHMDHSA-N 0 3 295.335 1.405 20 10 CDCDHN CC[N@H+](CCCO)Cc1ccc(OC)c(OC)c1[O-] ZINC000892110532 617488241 /nfs/dbraw/zinc/48/82/41/617488241.db2.gz CKBUJXQSRDTVMQ-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN CC[N@@H+](CCCO)Cc1ccc(OC)c(OC)c1[O-] ZINC000892110532 617488244 /nfs/dbraw/zinc/48/82/44/617488244.db2.gz CKBUJXQSRDTVMQ-UHFFFAOYSA-N 0 3 269.341 1.614 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)C)c1 ZINC000840974240 617933315 /nfs/dbraw/zinc/93/33/15/617933315.db2.gz CCVPOWPCJNGWMY-NSHDSACASA-N 0 3 280.368 1.794 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893964283 618224099 /nfs/dbraw/zinc/22/40/99/618224099.db2.gz QEXKVNXKACFXSZ-SNVBAGLBSA-N 0 3 296.367 1.366 20 10 CDCDHN COc1cc(C)cc(CN[C@H]2CCN(C(C)C)C2=O)c1O ZINC000894275881 618410658 /nfs/dbraw/zinc/41/06/58/618410658.db2.gz JRZUJGWCRRGXTH-ZDUSSCGKSA-N 0 3 292.379 1.808 20 10 CDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000897683566 621071054 /nfs/dbraw/zinc/07/10/54/621071054.db2.gz DVPJXNFIGTUVAH-BLLLJJGKSA-N 0 3 294.370 1.475 20 10 CDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)cc1O ZINC000910951835 629115313 /nfs/dbraw/zinc/11/53/13/629115313.db2.gz WAIDOGAVHIQWLH-QWRGUYRKSA-N 0 3 278.352 1.587 20 10 CDCDHN Cc1ccc(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001140954759 1159547616 /nfs/dbraw/zinc/54/76/16/1159547616.db2.gz YEKMKBLQWINPIH-UHFFFAOYSA-N 0 3 275.396 1.132 20 10 CDCDHN C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794672467 1164533622 /nfs/dbraw/zinc/53/36/22/1164533622.db2.gz LAHJRNSLYOHTBY-HOCLYGCPSA-N 0 3 293.363 1.555 20 10 CDCDHN C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794672467 1164533625 /nfs/dbraw/zinc/53/36/25/1164533625.db2.gz LAHJRNSLYOHTBY-HOCLYGCPSA-N 0 3 293.363 1.555 20 10 CDCDHN O=C1NCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000877783067 1166099636 /nfs/dbraw/zinc/09/96/36/1166099636.db2.gz BOQACOFCCGKJEA-UHFFFAOYSA-N 0 3 260.337 1.494 20 10 CDCDHN CCOc1ccc(C[N@H+](CC)[C@H](C)CO)c([O-])c1 ZINC000814169921 828346457 /nfs/dbraw/zinc/34/64/57/828346457.db2.gz OLJHUFRFLYSNSR-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN CCOc1ccc(C[N@@H+](CC)[C@H](C)CO)c([O-])c1 ZINC000814169921 828346471 /nfs/dbraw/zinc/34/64/71/828346471.db2.gz OLJHUFRFLYSNSR-LLVKDONJSA-N 0 3 253.342 1.994 20 10 CDCDHN Cc1ccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877545823 828355048 /nfs/dbraw/zinc/35/50/48/828355048.db2.gz MIIDUZUBTMPEIK-ZDUSSCGKSA-N 0 3 298.408 1.166 20 10 CDCDHN Cc1ccc(C[NH2+]CCN2CCOCC2(C)C)c([O-])c1 ZINC000877147891 828375529 /nfs/dbraw/zinc/37/55/29/828375529.db2.gz CUFKRXNWTQALNP-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN COc1ccc(CNCc2cnc(N(C)C)nc2)c(O)c1 ZINC000793386496 822663085 /nfs/dbraw/zinc/66/30/85/822663085.db2.gz UBDWXSHYHWBQQI-UHFFFAOYSA-N 0 3 288.351 1.547 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cnc(N(C)C)nc2)c([O-])c1 ZINC000793386496 822663091 /nfs/dbraw/zinc/66/30/91/822663091.db2.gz UBDWXSHYHWBQQI-UHFFFAOYSA-N 0 3 288.351 1.547 20 10 CDCDHN Cc1nnc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000790982762 828542268 /nfs/dbraw/zinc/54/22/68/828542268.db2.gz YJSPKWNZXHOOIO-UHFFFAOYSA-N 0 3 284.722 1.944 20 10 CDCDHN COc1c([O-])c(CN2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891630 /nfs/dbraw/zinc/89/16/30/823891630.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 0 3 295.339 1.478 20 10 CDCDHN [NH3+]CC1(O)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841107296 824078198 /nfs/dbraw/zinc/07/81/98/824078198.db2.gz FFLYWXWZZZZQKU-UHFFFAOYSA-N 0 3 288.750 1.470 20 10 CDCDHN CO[C@]1(C[NH2+][C@H](C)c2ccccc2[O-])CCOC1 ZINC000123273931 824162374 /nfs/dbraw/zinc/16/23/74/824162374.db2.gz VVBMCXOHQDRXEL-RISCZKNCSA-N 0 3 251.326 1.848 20 10 CDCDHN CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000778929183 824234884 /nfs/dbraw/zinc/23/48/84/824234884.db2.gz GLMCZWBQIMHKSK-CYBMUJFWSA-N 0 3 266.341 1.300 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877116838 824283102 /nfs/dbraw/zinc/28/31/02/824283102.db2.gz XSCHNVGIQYVVRF-UHFFFAOYSA-N 0 3 250.342 1.562 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000083514557 824286705 /nfs/dbraw/zinc/28/67/05/824286705.db2.gz XJEXZIKALTVOIE-LLVKDONJSA-N 0 3 269.366 1.225 20 10 CDCDHN CN1CC[C@](O)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790986225 824874787 /nfs/dbraw/zinc/87/47/87/824874787.db2.gz JYCPAHKPVPBODA-ZDUSSCGKSA-N 0 3 288.750 1.341 20 10 CDCDHN C[N@@H+]1CC[C@](O)(CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986225 824874797 /nfs/dbraw/zinc/87/47/97/824874797.db2.gz JYCPAHKPVPBODA-ZDUSSCGKSA-N 0 3 288.750 1.341 20 10 CDCDHN C[N@H+]1CC[C@](O)(CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986225 824874804 /nfs/dbraw/zinc/87/48/04/824874804.db2.gz JYCPAHKPVPBODA-ZDUSSCGKSA-N 0 3 288.750 1.341 20 10 CDCDHN CCN1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659205 824974391 /nfs/dbraw/zinc/97/43/91/824974391.db2.gz SUYTUXLASWWKBN-HNNXBMFYSA-N 0 3 275.396 1.802 20 10 CDCDHN CCN1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000391527326 825088558 /nfs/dbraw/zinc/08/85/58/825088558.db2.gz FMYMCCZVBXXSIV-NEPJUHHUSA-N 0 3 260.337 1.590 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NCC(C)C)c([O-])c1 ZINC000849024882 825228086 /nfs/dbraw/zinc/22/80/86/825228086.db2.gz DDAFKXBXDGYVMD-UHFFFAOYSA-N 0 3 251.330 1.671 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000323686840 825600584 /nfs/dbraw/zinc/60/05/84/825600584.db2.gz OWULWPYTRLGYEV-CABCVRRESA-N 0 3 264.369 1.382 20 10 CDCDHN [O-]c1c(F)cccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125180 825621909 /nfs/dbraw/zinc/62/19/09/825621909.db2.gz ZROCDYXNFUVYIZ-ZDUSSCGKSA-N 0 3 279.359 1.011 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000788971983 825688850 /nfs/dbraw/zinc/68/88/50/825688850.db2.gz STJDNAGWNGKDCW-GHMZBOCLSA-N 0 3 251.326 1.651 20 10 CDCDHN CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647340 825800966 /nfs/dbraw/zinc/80/09/66/825800966.db2.gz BCNDBAFOJISWGJ-WDEREUQCSA-N 0 3 250.342 1.958 20 10 CDCDHN O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2N1 ZINC000827132757 826055575 /nfs/dbraw/zinc/05/55/75/826055575.db2.gz OFIFAWZOQHSRKG-GWCFXTLKSA-N 0 3 278.327 1.632 20 10 CDCDHN O=C1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2N1 ZINC000827132757 826055583 /nfs/dbraw/zinc/05/55/83/826055583.db2.gz OFIFAWZOQHSRKG-GWCFXTLKSA-N 0 3 278.327 1.632 20 10 CDCDHN COc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O ZINC000069142854 826069368 /nfs/dbraw/zinc/06/93/68/826069368.db2.gz XHQDVIHURPAIMC-NSHDSACASA-N 0 3 285.365 1.068 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@H]1OC ZINC000824709198 826338859 /nfs/dbraw/zinc/33/88/59/826338859.db2.gz OOWTTXQAPQXADK-XHDPSFHLSA-N 0 3 281.352 1.542 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC000103529290 826357601 /nfs/dbraw/zinc/35/76/01/826357601.db2.gz NRHYRDYAQWMEMS-NSHDSACASA-N 0 3 280.368 1.918 20 10 CDCDHN CC[C@H]([NH2+]CCC(=O)N(C)C)c1ccccc1[O-] ZINC000037751596 826384440 /nfs/dbraw/zinc/38/44/40/826384440.db2.gz UFGHFNZHRQQEEV-LBPRGKRZSA-N 0 3 250.342 1.911 20 10 CDCDHN [O-]c1c(F)cccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127492 826853491 /nfs/dbraw/zinc/85/34/91/826853491.db2.gz RRFQFIXYBNAJFS-GXFFZTMASA-N 0 3 250.317 1.715 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CN(C)CCO1 ZINC000834685490 826887449 /nfs/dbraw/zinc/88/74/49/826887449.db2.gz XNCVODUOSDWKDC-CORIIIEPSA-N 0 3 276.380 1.688 20 10 CDCDHN C[C@@H](NCC1OCCO1)c1ccc(N2CCOCC2)cc1 ZINC000777722495 826895788 /nfs/dbraw/zinc/89/57/88/826895788.db2.gz TZPKYUHOBLLBGL-CYBMUJFWSA-N 0 3 292.379 1.547 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(F)ccc1[O-] ZINC000094617776 827378238 /nfs/dbraw/zinc/37/82/38/827378238.db2.gz BDASQGKJRDNOHA-MWLCHTKSSA-N 0 3 255.289 1.597 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000877141981 827428160 /nfs/dbraw/zinc/42/81/60/827428160.db2.gz OAQHQCPKHOJHMP-CQSZACIVSA-N 0 3 293.363 1.712 20 10 CDCDHN COc1ccc(C[NH2+]Cc2cn(C)nc2C)c([O-])c1 ZINC000168691848 828005568 /nfs/dbraw/zinc/00/55/68/828005568.db2.gz ZOURHOSYYHSQRU-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC[C@@H]1C ZINC000840942484 828269908 /nfs/dbraw/zinc/26/99/08/828269908.db2.gz UMAHFRWLGMITAH-XHDPSFHLSA-N 0 3 275.396 1.675 20 10 CDCDHN C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1[O-] ZINC000879647990 828281310 /nfs/dbraw/zinc/28/13/10/828281310.db2.gz VBVJHJPFFAOLGY-LLVKDONJSA-N 0 3 274.320 1.952 20 10 CDCDHN COc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000399478438 896549520 /nfs/dbraw/zinc/54/95/20/896549520.db2.gz DHTIIIXSOMGZKL-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000399478438 896549531 /nfs/dbraw/zinc/54/95/31/896549531.db2.gz DHTIIIXSOMGZKL-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CN1CCN(c2ccc(CN3CCC(=O)CC3)cc2)CC1 ZINC001139408783 936617973 /nfs/dbraw/zinc/61/79/73/936617973.db2.gz QUZVXEQQEPRHHA-UHFFFAOYSA-N 0 3 287.407 1.603 20 10 CDCDHN COc1cc(O)c(CN2CC[C@H](C(C)=O)C2)c(OC)c1 ZINC001141030981 936794962 /nfs/dbraw/zinc/79/49/62/936794962.db2.gz TTYOACCXYWPUTA-NSHDSACASA-N 0 3 279.336 1.820 20 10 CDCDHN CO[C@@H](C)C1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145360 936820056 /nfs/dbraw/zinc/82/00/56/936820056.db2.gz UZQYFHYEPYWOPF-LBPRGKRZSA-N 0 3 276.380 1.982 20 10 CDCDHN CN1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524713 937027731 /nfs/dbraw/zinc/02/77/31/937027731.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 0 3 256.296 1.806 20 10 CDCDHN CN1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524713 937027733 /nfs/dbraw/zinc/02/77/33/937027733.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 0 3 256.296 1.806 20 10 CDCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@H]1CC[N@H+](C)C1 ZINC001142524713 937027735 /nfs/dbraw/zinc/02/77/35/937027735.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 0 3 256.296 1.806 20 10 CDCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@H]1CC[N@@H+](C)C1 ZINC001142524713 937027737 /nfs/dbraw/zinc/02/77/37/937027737.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 0 3 256.296 1.806 20 10 CDCDHN CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000857084554 928660277 /nfs/dbraw/zinc/66/02/77/928660277.db2.gz VGIWAOUIJJWYHM-OLZOCXBDSA-N 0 3 260.337 1.590 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000128344153 929654218 /nfs/dbraw/zinc/65/42/18/929654218.db2.gz OQTFDKYTENSPBV-UWVGGRQHSA-N 0 3 252.745 1.697 20 10 CDCDHN CCCNCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817963300 930646874 /nfs/dbraw/zinc/64/68/74/930646874.db2.gz TWQYNHVPMLSLMF-JTQLQIEISA-N 0 3 267.329 1.951 20 10 CDCDHN CCN(C)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000931653867 933603374 /nfs/dbraw/zinc/60/33/74/933603374.db2.gz IELYBXBCVWKUGT-CQSZACIVSA-N 0 3 275.396 1.757 20 10 CDCDHN CON1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000692178000 934624410 /nfs/dbraw/zinc/62/44/10/934624410.db2.gz NWWNZLIOFFAFLJ-UHFFFAOYSA-N 0 3 254.305 1.647 20 10 CDCDHN COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)CCCO1 ZINC001203599233 939695314 /nfs/dbraw/zinc/69/53/14/939695314.db2.gz DWYIMEHOIXRRLH-ZDUSSCGKSA-N 0 3 295.335 1.165 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c([O-])c1 ZINC001203629269 939697566 /nfs/dbraw/zinc/69/75/66/939697566.db2.gz VGFQYPKGQUJRSV-UHFFFAOYSA-N 0 3 292.335 1.475 20 10 CDCDHN C[C@@]1(O)CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875560 939710603 /nfs/dbraw/zinc/71/06/03/939710603.db2.gz PWRAVNGETOHHNO-CQSZACIVSA-N 0 3 251.326 1.835 20 10 CDCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937099 939715369 /nfs/dbraw/zinc/71/53/69/939715369.db2.gz KLFQETXMGOBSLV-AWEZNQCLSA-N 0 3 290.411 1.646 20 10 CDCDHN C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@@H]1CO ZINC001204276731 939751658 /nfs/dbraw/zinc/75/16/58/939751658.db2.gz PROCRQDLNUJGGL-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H]1CO ZINC001204276731 939751662 /nfs/dbraw/zinc/75/16/62/939751662.db2.gz PROCRQDLNUJGGL-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000305201976 940872776 /nfs/dbraw/zinc/87/27/76/940872776.db2.gz NBFRQMQPXOTWLO-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000305201976 940872779 /nfs/dbraw/zinc/87/27/79/940872779.db2.gz NBFRQMQPXOTWLO-NSHDSACASA-N 0 3 251.326 1.605 20 10 CDCDHN COC(=O)CC1CN(Cc2ccc(N(C)C)cc2O)C1 ZINC001232838178 943415999 /nfs/dbraw/zinc/41/59/99/943415999.db2.gz BCAGIDFDDVCPKE-UHFFFAOYSA-N 0 3 278.352 1.453 20 10 CDCDHN Oc1cc(O)c(CN2CCC3(CC2)OCCO3)cc1O ZINC001233484061 943592926 /nfs/dbraw/zinc/59/29/26/943592926.db2.gz WQWTZMBDKCVVLA-UHFFFAOYSA-N 0 3 281.308 1.142 20 10 CDCDHN CCN1CCN(c2ccc(OC3COC3)cc2)CC1 ZINC001234657902 943930437 /nfs/dbraw/zinc/93/04/37/943930437.db2.gz LRGVERQVHITBKC-UHFFFAOYSA-N 0 3 262.353 1.606 20 10 CDCDHN CCN1CCN(c2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC001234657696 943930633 /nfs/dbraw/zinc/93/06/33/943930633.db2.gz GEHNHDADFBWQIM-MRXNPFEDSA-N 0 3 276.380 1.996 20 10 CDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(Cl)cc(C)c1O ZINC001236058720 944395814 /nfs/dbraw/zinc/39/58/14/944395814.db2.gz ULROLTXPPIMJAG-LBPRGKRZSA-N 0 3 298.770 1.301 20 10 CDCDHN COc1cc(O)c(CN2C[C@@H]3CCO[C@@H]3C2)cc1OC ZINC001236751433 944558876 /nfs/dbraw/zinc/55/88/76/944558876.db2.gz CYGRHCXSLFJLJI-ZUZCIYMTSA-N 0 3 279.336 1.630 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783245 944565574 /nfs/dbraw/zinc/56/55/74/944565574.db2.gz IUHUZUATPSAARO-ZIAGYGMSSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783245 944565578 /nfs/dbraw/zinc/56/55/78/944565578.db2.gz IUHUZUATPSAARO-ZIAGYGMSSA-N 0 3 265.353 1.130 20 10 CDCDHN CCc1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001236782304 944566353 /nfs/dbraw/zinc/56/63/53/944566353.db2.gz AILQFVNJZUHANS-UHFFFAOYSA-N 0 3 278.396 1.455 20 10 CDCDHN CCc1ccc(C[N@H+](CC)CCC(N)=O)c([O-])c1 ZINC001236790294 944568823 /nfs/dbraw/zinc/56/88/23/944568823.db2.gz VJINXSWWKSELDF-UHFFFAOYSA-N 0 3 250.342 1.652 20 10 CDCDHN CCc1ccc(C[N@@H+](CC)CCC(N)=O)c([O-])c1 ZINC001236790294 944568826 /nfs/dbraw/zinc/56/88/26/944568826.db2.gz VJINXSWWKSELDF-UHFFFAOYSA-N 0 3 250.342 1.652 20 10 CDCDHN CCc1ccc(CN2CCC(O)(C(=O)OC)CC2)c(O)c1 ZINC001236788584 944568960 /nfs/dbraw/zinc/56/89/60/944568960.db2.gz PKASHVYHFRPYRS-UHFFFAOYSA-N 0 3 293.363 1.455 20 10 CDCDHN COc1cc(C)c(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001236811676 944576321 /nfs/dbraw/zinc/57/63/21/944576321.db2.gz VYYRYIDQTPWTBI-UHFFFAOYSA-N 0 3 251.326 1.787 20 10 CDCDHN COc1cc(C)c(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001236811676 944576325 /nfs/dbraw/zinc/57/63/25/944576325.db2.gz VYYRYIDQTPWTBI-UHFFFAOYSA-N 0 3 251.326 1.787 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001237050679 944646706 /nfs/dbraw/zinc/64/67/06/944646706.db2.gz UILBWMLKKGZNRZ-CVEARBPZSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001237050679 944646711 /nfs/dbraw/zinc/64/67/11/944646711.db2.gz UILBWMLKKGZNRZ-CVEARBPZSA-N 0 3 295.379 1.356 20 10 CDCDHN Cn1c(=O)cccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245429529 947668347 /nfs/dbraw/zinc/66/83/47/947668347.db2.gz XSJWCOCIJNPART-AWEZNQCLSA-N 0 3 274.364 1.653 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001249173706 949439199 /nfs/dbraw/zinc/43/91/99/949439199.db2.gz VKFQXBGHWXNKKK-RISCZKNCSA-N 0 3 293.363 1.310 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001249173706 949439213 /nfs/dbraw/zinc/43/92/13/949439213.db2.gz VKFQXBGHWXNKKK-RISCZKNCSA-N 0 3 293.363 1.310 20 10 CDCDHN COc1cc(C)c(C[N@H+](CCO)C2CC2)c([O-])c1 ZINC001308609610 956550582 /nfs/dbraw/zinc/55/05/82/956550582.db2.gz SBDBJXXJQARNKU-UHFFFAOYSA-N 0 3 251.326 1.666 20 10 CDCDHN COc1cc(C)c(C[N@@H+](CCO)C2CC2)c([O-])c1 ZINC001308609610 956550594 /nfs/dbraw/zinc/55/05/94/956550594.db2.gz SBDBJXXJQARNKU-UHFFFAOYSA-N 0 3 251.326 1.666 20 10 CDCDHN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001337834354 961456576 /nfs/dbraw/zinc/45/65/76/961456576.db2.gz QGIVAOVVADRMKL-ZDUSSCGKSA-N 0 3 297.424 1.030 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NCc2cncn2C)c1 ZINC000271760607 362039584 /nfs/dbraw/zinc/03/95/84/362039584.db2.gz ASLANIZSYWSNFL-SNVBAGLBSA-N 0 3 261.325 1.985 20 10 CDCDHN COc1cc(O)c(CN2CCC(O)CC2)cc1OC ZINC000179584941 357212793 /nfs/dbraw/zinc/21/27/93/357212793.db2.gz CFCRTPYOHPNGQZ-UHFFFAOYSA-N 0 3 267.325 1.366 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000180197932 357251283 /nfs/dbraw/zinc/25/12/83/357251283.db2.gz MSVSBUWKYYTSHW-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000180197932 357251287 /nfs/dbraw/zinc/25/12/87/357251287.db2.gz MSVSBUWKYYTSHW-CQSZACIVSA-N 0 3 251.326 1.748 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CO)OCO2 ZINC000092455980 358549864 /nfs/dbraw/zinc/54/98/64/358549864.db2.gz GOKFCNBVTYUXQG-JTQLQIEISA-N 0 3 251.282 1.078 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CO)OCO2 ZINC000092455980 358549867 /nfs/dbraw/zinc/54/98/67/358549867.db2.gz GOKFCNBVTYUXQG-JTQLQIEISA-N 0 3 251.282 1.078 20 10 CDCDHN OC[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000092455980 358549870 /nfs/dbraw/zinc/54/98/70/358549870.db2.gz GOKFCNBVTYUXQG-JTQLQIEISA-N 0 3 251.282 1.078 20 10 CDCDHN COCC[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000112018176 359278364 /nfs/dbraw/zinc/27/83/64/359278364.db2.gz WSGIAWXQVOOYFD-SECBINFHSA-N 0 3 253.298 1.636 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000083514551 360093839 /nfs/dbraw/zinc/09/38/39/360093839.db2.gz QQGKDOFPXBSAEK-NSHDSACASA-N 0 3 269.366 1.225 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)cc1C ZINC000267009474 363711153 /nfs/dbraw/zinc/71/11/53/363711153.db2.gz GGPDPCIGOHNVNI-AWEZNQCLSA-N 0 3 267.394 1.967 20 10 CDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271732871 364996670 /nfs/dbraw/zinc/99/66/70/364996670.db2.gz NOPWDCBSDPZZJP-JTQLQIEISA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271732871 364996675 /nfs/dbraw/zinc/99/66/75/364996675.db2.gz NOPWDCBSDPZZJP-JTQLQIEISA-N 0 3 265.309 1.396 20 10 CDCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000271732871 364996680 /nfs/dbraw/zinc/99/66/80/364996680.db2.gz NOPWDCBSDPZZJP-JTQLQIEISA-N 0 3 265.309 1.396 20 10 CDCDHN CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1O ZINC000272028146 365051953 /nfs/dbraw/zinc/05/19/53/365051953.db2.gz YFOJQEQJGZDGNF-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1O ZINC000272028146 365051955 /nfs/dbraw/zinc/05/19/55/365051955.db2.gz YFOJQEQJGZDGNF-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN COCC1(O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000272322137 365188667 /nfs/dbraw/zinc/18/86/67/365188667.db2.gz UQGCBBDRWODNMP-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1cc(C)ccc1[O-] ZINC000282433883 367882447 /nfs/dbraw/zinc/88/24/47/367882447.db2.gz FLWXIDZAWFBNJN-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1cc(C)ccc1[O-] ZINC000282433883 367882448 /nfs/dbraw/zinc/88/24/48/367882448.db2.gz FLWXIDZAWFBNJN-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1F ZINC000289292268 369540789 /nfs/dbraw/zinc/54/07/89/369540789.db2.gz BGMWGKTUOAFWKA-ZDUSSCGKSA-N 0 3 282.359 1.726 20 10 CDCDHN CCN(CC)c1ccc(CN[C@@H](C)CC(N)=O)cc1 ZINC000135716322 369735269 /nfs/dbraw/zinc/73/52/69/369735269.db2.gz ZJMBZJQKTMMFAW-LBPRGKRZSA-N 0 3 263.385 1.886 20 10 CDCDHN Cc1ccc(O)c(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128120531 375104990 /nfs/dbraw/zinc/10/49/90/375104990.db2.gz FJDXOKULQRFYKO-CQSZACIVSA-N 0 3 264.369 1.463 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)C1CCOCC1)CC2 ZINC000296733233 378744585 /nfs/dbraw/zinc/74/45/85/378744585.db2.gz JBRGYAPUJQYNIO-ZFWWWQNUSA-N 0 3 277.364 1.757 20 10 CDCDHN COc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1[O-] ZINC000036933133 260053032 /nfs/dbraw/zinc/05/30/32/260053032.db2.gz ASXXWKFPXPCHDV-LBPRGKRZSA-N 0 3 280.368 1.211 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000368336496 390946072 /nfs/dbraw/zinc/94/60/72/390946072.db2.gz OIDLPWUERVHKHN-WDNDVIMCSA-N 0 3 279.311 1.404 20 10 CDCDHN CCOc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000122654492 390905118 /nfs/dbraw/zinc/90/51/18/390905118.db2.gz UPKPHKKTZWWONP-CYBMUJFWSA-N 0 3 292.379 1.844 20 10 CDCDHN [O-]c1ccccc1C[N@H+](CCO)C[C@H]1CCCO1 ZINC000177715887 391175545 /nfs/dbraw/zinc/17/55/45/391175545.db2.gz UIMSTQXIVLATDE-CYBMUJFWSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1ccccc1C[N@@H+](CCO)C[C@H]1CCCO1 ZINC000177715887 391175547 /nfs/dbraw/zinc/17/55/47/391175547.db2.gz UIMSTQXIVLATDE-CYBMUJFWSA-N 0 3 251.326 1.366 20 10 CDCDHN CN(C)c1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000372687621 391861281 /nfs/dbraw/zinc/86/12/81/391861281.db2.gz VPEUNSVTXIEERR-INIZCTEOSA-N 0 3 289.379 1.827 20 10 CDCDHN CN1CCN(CCC[NH2+]Cc2ccccc2[O-])CC1 ZINC000020128372 171014700 /nfs/dbraw/zinc/01/47/00/171014700.db2.gz LIUMXZPNZPEQRR-UHFFFAOYSA-N 0 3 263.385 1.119 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047147 174056681 /nfs/dbraw/zinc/05/66/81/174056681.db2.gz CRZZDOOGAPTBOS-JTQLQIEISA-N 0 3 287.381 1.486 20 10 CDCDHN COc1cccc(CN2CCC(CC(N)=O)CC2)c1O ZINC000159806227 261194984 /nfs/dbraw/zinc/19/49/84/261194984.db2.gz GZQNWVIWJQFTGR-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1[O-] ZINC000159806227 261194985 /nfs/dbraw/zinc/19/49/85/261194985.db2.gz GZQNWVIWJQFTGR-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000300416291 261199360 /nfs/dbraw/zinc/19/93/60/261199360.db2.gz OOWAKBVNYSEMQF-UONOGXRCSA-N 0 3 280.343 1.484 20 10 CDCDHN COc1cc(O)c(CN(C)[C@H]2CCOC2)cc1OC ZINC000160161763 261206855 /nfs/dbraw/zinc/20/68/55/261206855.db2.gz XLVMXRWIPTUQHV-NSHDSACASA-N 0 3 267.325 1.630 20 10 CDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000362236004 266949959 /nfs/dbraw/zinc/94/99/59/266949959.db2.gz CVFLTTYXKXRWBU-ZDUSSCGKSA-N 0 3 298.408 1.214 20 10 CDCDHN COc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000193682033 278012766 /nfs/dbraw/zinc/01/27/66/278012766.db2.gz REFZCPCITHNIOL-SKDRFNHKSA-N 0 3 264.325 1.015 20 10 CDCDHN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000230992704 333323491 /nfs/dbraw/zinc/32/34/91/333323491.db2.gz WSODAHIIQHVETJ-LBPRGKRZSA-N 0 3 299.440 1.295 20 10 CDCDHN CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OCO2 ZINC000265666382 520995017 /nfs/dbraw/zinc/99/50/17/520995017.db2.gz AAXODKKZBVUNCD-UHFFFAOYSA-N 0 3 281.308 1.506 20 10 CDCDHN CC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])OCO2 ZINC000265666382 520995024 /nfs/dbraw/zinc/99/50/24/520995024.db2.gz AAXODKKZBVUNCD-UHFFFAOYSA-N 0 3 281.308 1.506 20 10 CDCDHN CCOc1cccc(CNCC(=O)NC(C)C)c1O ZINC000036781594 521358819 /nfs/dbraw/zinc/35/88/19/521358819.db2.gz ZCLZCKIWGIKTEC-UHFFFAOYSA-N 0 3 266.341 1.405 20 10 CDCDHN COc1c([O-])c(C[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278314641 521869964 /nfs/dbraw/zinc/86/99/64/521869964.db2.gz XGYGQIYAOSTDQR-UHFFFAOYSA-N 0 3 295.339 1.447 20 10 CDCDHN COc1c([O-])c(C[N@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278314641 521869969 /nfs/dbraw/zinc/86/99/69/521869969.db2.gz XGYGQIYAOSTDQR-UHFFFAOYSA-N 0 3 295.339 1.447 20 10 CDCDHN COc1c([O-])c(CN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000278314641 521869975 /nfs/dbraw/zinc/86/99/75/521869975.db2.gz XGYGQIYAOSTDQR-UHFFFAOYSA-N 0 3 295.339 1.447 20 10 CDCDHN COc1c([O-])c(CN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000278314641 521869983 /nfs/dbraw/zinc/86/99/83/521869983.db2.gz XGYGQIYAOSTDQR-UHFFFAOYSA-N 0 3 295.339 1.447 20 10 CDCDHN COCCn1cc(CNCc2cc(OC)ccc2O)cn1 ZINC000266182523 522094700 /nfs/dbraw/zinc/09/47/00/522094700.db2.gz GLPMHGZHPCIONJ-UHFFFAOYSA-N 0 3 291.351 1.534 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289602643 522772670 /nfs/dbraw/zinc/77/26/70/522772670.db2.gz KVNKSHPYNFSQGP-VXGBXAGGSA-N 0 3 281.352 1.755 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289602643 522772678 /nfs/dbraw/zinc/77/26/78/522772678.db2.gz KVNKSHPYNFSQGP-VXGBXAGGSA-N 0 3 281.352 1.755 20 10 CDCDHN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1[O-] ZINC000278458390 525320426 /nfs/dbraw/zinc/32/04/26/525320426.db2.gz MHYSHAKMXIYCHV-ZDUSSCGKSA-N 0 3 276.380 1.908 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000227965298 525350695 /nfs/dbraw/zinc/35/06/95/525350695.db2.gz JYZSUHVGTPFEIC-SMDDNHRTSA-N 0 3 251.326 1.330 20 10 CDCDHN C[S@](=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000280548074 525381437 /nfs/dbraw/zinc/38/14/37/525381437.db2.gz DNTMRLSJGBDKJT-FQEVSTJZSA-N 0 3 297.376 1.512 20 10 CDCDHN COc1cccc(CN(C)[C@@H](C)CN2CCOCC2)c1O ZINC000279398022 525918386 /nfs/dbraw/zinc/91/83/86/525918386.db2.gz KSYCKFMWWSTQPH-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279398022 525918395 /nfs/dbraw/zinc/91/83/95/525918395.db2.gz KSYCKFMWWSTQPH-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN COc1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279398022 525918404 /nfs/dbraw/zinc/91/84/04/525918404.db2.gz KSYCKFMWWSTQPH-ZDUSSCGKSA-N 0 3 294.395 1.553 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1 ZINC000068800525 525922153 /nfs/dbraw/zinc/92/21/53/525922153.db2.gz KPPGIUKOZPLNFD-UONOGXRCSA-N 0 3 277.412 1.597 20 10 CDCDHN COCCOC[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000742377656 574420781 /nfs/dbraw/zinc/42/07/81/574420781.db2.gz XARNWPOMEQFXEU-LBPRGKRZSA-N 0 3 265.353 1.763 20 10 CDCDHN COc1ccc(O)c([C@@H](C)NC(=S)NCCN(C)C)c1 ZINC000728792665 574647815 /nfs/dbraw/zinc/64/78/15/574647815.db2.gz MIZRUUAEXUUVQD-SNVBAGLBSA-N 0 3 297.424 1.488 20 10 CDCDHN COCC1(NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000765260528 576002683 /nfs/dbraw/zinc/00/26/83/576002683.db2.gz HJQIQVPOQNECFG-UHFFFAOYSA-N 0 3 294.370 1.931 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000765797235 576056642 /nfs/dbraw/zinc/05/66/42/576056642.db2.gz QXHOGQAVJAMONY-TZMCWYRMSA-N 0 3 293.386 1.896 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000768442413 576283491 /nfs/dbraw/zinc/28/34/91/576283491.db2.gz UXKOBUIVEMQWCE-UHFFFAOYSA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc(O)c1CN1CCN(CCCCO)CC1 ZINC000769396137 576351704 /nfs/dbraw/zinc/35/17/04/576351704.db2.gz JLGMULXMKPMODS-UHFFFAOYSA-N 0 3 294.395 1.291 20 10 CDCDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000763468427 576738111 /nfs/dbraw/zinc/73/81/11/576738111.db2.gz YXHFUWZUSSXHLA-AWEZNQCLSA-N 0 3 265.353 1.659 20 10 CDCDHN C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322743 576905131 /nfs/dbraw/zinc/90/51/31/576905131.db2.gz UHLYWQUPTKYMJU-ONGXEEELSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000748322743 576905132 /nfs/dbraw/zinc/90/51/32/576905132.db2.gz UHLYWQUPTKYMJU-ONGXEEELSA-N 0 3 268.382 1.866 20 10 CDCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322743 576905133 /nfs/dbraw/zinc/90/51/33/576905133.db2.gz UHLYWQUPTKYMJU-ONGXEEELSA-N 0 3 268.382 1.866 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757657728 577048726 /nfs/dbraw/zinc/04/87/26/577048726.db2.gz FSUHJXKGYHPCJV-XHDPSFHLSA-N 0 3 295.379 1.839 20 10 CDCDHN COc1ccc(CN[C@H](C)c2cnn(C)c2)c(O)c1OC ZINC000893031701 618078557 /nfs/dbraw/zinc/07/85/57/618078557.db2.gz DSOUCQMPPCFVKI-SNVBAGLBSA-N 0 3 291.351 1.994 20 10 CDCDHN CONC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000877786795 1166099790 /nfs/dbraw/zinc/09/97/90/1166099790.db2.gz ZATSRKZZCIUJRF-UHFFFAOYSA-N 0 3 264.325 1.282 20 10 CDCDHN CO[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC1 ZINC000389169751 833058907 /nfs/dbraw/zinc/05/89/07/833058907.db2.gz HUYGDZLWJXOFBT-WFASDCNBSA-N 0 3 263.337 1.775 20 10 CDCDHN [O-]c1cccc(Cl)c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000380222908 833270852 /nfs/dbraw/zinc/27/08/52/833270852.db2.gz JPRQCSCOERBGMC-LBPRGKRZSA-N 0 3 295.814 1.525 20 10 CDCDHN C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000840878712 833294376 /nfs/dbraw/zinc/29/43/76/833294376.db2.gz JWIAAKBHXSYNNO-SNVBAGLBSA-N 0 3 269.366 1.620 20 10 CDCDHN CCN(C)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000931653866 828861245 /nfs/dbraw/zinc/86/12/45/828861245.db2.gz IELYBXBCVWKUGT-AWEZNQCLSA-N 0 3 275.396 1.757 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccccc1[O-] ZINC000842912695 828861429 /nfs/dbraw/zinc/86/14/29/828861429.db2.gz UXTUDYDDUFUUPT-YRGRVCCFSA-N 0 3 251.326 1.847 20 10 CDCDHN C[C@@H]1CN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000834567225 833330804 /nfs/dbraw/zinc/33/08/04/833330804.db2.gz ZTCFWUZVSKIQEC-OCCSQVGLSA-N 0 3 276.380 1.690 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](CO)(COC)C2)c([O-])c1 ZINC000825158091 833338364 /nfs/dbraw/zinc/33/83/64/833338364.db2.gz DJULGPKYUFTOFR-INIZCTEOSA-N 0 3 295.379 1.622 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](CO)(COC)C2)c([O-])c1 ZINC000825158091 833338367 /nfs/dbraw/zinc/33/83/67/833338367.db2.gz DJULGPKYUFTOFR-INIZCTEOSA-N 0 3 295.379 1.622 20 10 CDCDHN CC(C)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870988588 833355189 /nfs/dbraw/zinc/35/51/89/833355189.db2.gz UEVWDSFQUIPSFY-ZYHUDNBSSA-N 0 3 250.342 1.943 20 10 CDCDHN O=C1N=NCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000813328162 829408168 /nfs/dbraw/zinc/40/81/68/829408168.db2.gz OCSIDVCOCCODKT-UHFFFAOYSA-N 0 3 274.324 1.526 20 10 CDCDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104120 829548125 /nfs/dbraw/zinc/54/81/25/829548125.db2.gz QHHGKISLKBLKLZ-GFCCVEGCSA-N 0 3 293.367 1.313 20 10 CDCDHN CCN1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000391524137 833430932 /nfs/dbraw/zinc/43/09/32/833430932.db2.gz DYCAOOZNDJALBJ-MWLCHTKSSA-N 0 3 266.316 1.803 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000779102178 829821183 /nfs/dbraw/zinc/82/11/83/829821183.db2.gz RQKRFKATZFIHJE-NEPJUHHUSA-N 0 3 266.316 1.536 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876618075 829829056 /nfs/dbraw/zinc/82/90/56/829829056.db2.gz YXTGRNNCGRQNEG-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876618075 829829058 /nfs/dbraw/zinc/82/90/58/829829058.db2.gz YXTGRNNCGRQNEG-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000877490050 830015951 /nfs/dbraw/zinc/01/59/51/830015951.db2.gz SRNNHEBEILTVOI-ZFWWWQNUSA-N 0 3 265.353 1.984 20 10 CDCDHN CC[N@H+](CCOCCO)Cc1c(C)cccc1[O-] ZINC000877498962 830066612 /nfs/dbraw/zinc/06/66/12/830066612.db2.gz ACCVSBLTPYBCEP-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN CC[N@@H+](CCOCCO)Cc1c(C)cccc1[O-] ZINC000877498962 830066626 /nfs/dbraw/zinc/06/66/26/830066626.db2.gz ACCVSBLTPYBCEP-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCNC2=O)c([O-])c1 ZINC000886745054 830337987 /nfs/dbraw/zinc/33/79/87/830337987.db2.gz MXOOFDYRQOSBPM-NSHDSACASA-N 0 3 263.341 1.376 20 10 CDCDHN O=C1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000846205493 830354548 /nfs/dbraw/zinc/35/45/48/830354548.db2.gz HPIDBMVZIILMPG-RISCZKNCSA-N 0 3 286.375 1.980 20 10 CDCDHN COc1ccc(N(C)CCN(C)C[C@@H]2CCC(=O)N2)cc1 ZINC000844400864 832095016 /nfs/dbraw/zinc/09/50/16/832095016.db2.gz GALMAIWJRXTVMZ-ZDUSSCGKSA-N 0 3 291.395 1.342 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1COC(C)(C)O1 ZINC000851840418 832400362 /nfs/dbraw/zinc/40/03/62/832400362.db2.gz GKHFHFINSYTRJM-GFCCVEGCSA-N 0 3 251.326 1.976 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1COC(C)(C)O1 ZINC000851840418 832400381 /nfs/dbraw/zinc/40/03/81/832400381.db2.gz GKHFHFINSYTRJM-GFCCVEGCSA-N 0 3 251.326 1.976 20 10 CDCDHN CCCNC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036959687 833887662 /nfs/dbraw/zinc/88/76/62/833887662.db2.gz HMTMSHSYJXZWAS-WDEREUQCSA-N 0 3 280.368 1.966 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c([O-])c1 ZINC000872141149 832716612 /nfs/dbraw/zinc/71/66/12/832716612.db2.gz NRTIWJWFVSFVEO-MPKXVKKWSA-N 0 3 251.326 1.501 20 10 CDCDHN CC(C)O[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000842611410 832735041 /nfs/dbraw/zinc/73/50/41/832735041.db2.gz ZDFLTRCSCIJSHL-IUODEOHRSA-N 0 3 293.363 1.817 20 10 CDCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000842611410 832735064 /nfs/dbraw/zinc/73/50/64/832735064.db2.gz ZDFLTRCSCIJSHL-IUODEOHRSA-N 0 3 293.363 1.817 20 10 CDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000825196683 832841532 /nfs/dbraw/zinc/84/15/32/832841532.db2.gz MFOSCGABPWERTR-HUUCEWRRSA-N 0 3 264.369 1.646 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(CC)C2=O)c([O-])c1 ZINC000922641144 832889757 /nfs/dbraw/zinc/88/97/57/832889757.db2.gz YDRLEXPWBUQLOK-CQSZACIVSA-N 0 3 292.379 1.891 20 10 CDCDHN CCc1cccc(CN2CCNC(=O)C[C@H]2C)c1O ZINC000848912396 832895025 /nfs/dbraw/zinc/89/50/25/832895025.db2.gz QMPYTHAVHRNJQB-LLVKDONJSA-N 0 3 262.353 1.665 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCOC1=O)c1ccccc1[O-] ZINC000879649704 833502772 /nfs/dbraw/zinc/50/27/72/833502772.db2.gz SUCUADICVHYVME-SNVBAGLBSA-N 0 3 250.298 1.495 20 10 CDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1[O-] ZINC000840977009 833521623 /nfs/dbraw/zinc/52/16/23/833521623.db2.gz ZYMROSLQCXQZKM-WCQYABFASA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1[O-] ZINC000840977009 833521647 /nfs/dbraw/zinc/52/16/47/833521647.db2.gz ZYMROSLQCXQZKM-WCQYABFASA-N 0 3 285.771 1.529 20 10 CDCDHN Cc1cc(Cl)cc(CN2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000840977009 833521683 /nfs/dbraw/zinc/52/16/83/833521683.db2.gz ZYMROSLQCXQZKM-WCQYABFASA-N 0 3 285.771 1.529 20 10 CDCDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000788270873 833836307 /nfs/dbraw/zinc/83/63/07/833836307.db2.gz UPYKLCCRVYYTIV-ZYHUDNBSSA-N 0 3 252.333 1.847 20 10 CDCDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183565694 834096281 /nfs/dbraw/zinc/09/62/81/834096281.db2.gz ISSFAFQMLVUMDI-GHMZBOCLSA-N 0 3 271.382 1.866 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(O)(CO)CC2)c([O-])c1 ZINC000827147862 834109178 /nfs/dbraw/zinc/10/91/78/834109178.db2.gz XIXSJFVPNHTXQP-UHFFFAOYSA-N 0 3 281.352 1.110 20 10 CDCDHN CC(C)[C@H]([NH3+])CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958460 834271608 /nfs/dbraw/zinc/27/16/08/834271608.db2.gz JVUHJPCKSJZMCY-BXKDBHETSA-N 0 3 267.329 1.934 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000706855339 834418283 /nfs/dbraw/zinc/41/82/83/834418283.db2.gz DQCZZEOOQZIPGN-NXEZZACHSA-N 0 3 297.196 1.806 20 10 CDCDHN Cc1ccc(CNCCS(=O)(=O)C(C)C)c(O)c1 ZINC000877536497 834434438 /nfs/dbraw/zinc/43/44/38/834434438.db2.gz SKUIEOASNOAGAS-UHFFFAOYSA-N 0 3 271.382 1.613 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000866420580 834674317 /nfs/dbraw/zinc/67/43/17/834674317.db2.gz PVUAAFKAZJJYQO-BZPMIXESSA-N 0 3 251.326 1.501 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)CCCCCO ZINC000789763841 834833559 /nfs/dbraw/zinc/83/35/59/834833559.db2.gz QQEKGJUSLZLQGV-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)CCCCCO ZINC000789763841 834833562 /nfs/dbraw/zinc/83/35/62/834833562.db2.gz QQEKGJUSLZLQGV-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COCC1(O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779021806 834844986 /nfs/dbraw/zinc/84/49/86/834844986.db2.gz XVQRZACIIXCXTC-UHFFFAOYSA-N 0 3 269.316 1.505 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1[O-] ZINC000843352077 834847342 /nfs/dbraw/zinc/84/73/42/834847342.db2.gz RAQBLZGUUMBRSV-NXEZZACHSA-N 0 3 280.343 1.916 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000814173715 835065459 /nfs/dbraw/zinc/06/54/59/835065459.db2.gz ONCMHSMJFBRHKB-PJXYFTJBSA-N 0 3 265.284 1.382 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000814173715 835065472 /nfs/dbraw/zinc/06/54/72/835065472.db2.gz ONCMHSMJFBRHKB-PJXYFTJBSA-N 0 3 265.284 1.382 20 10 CDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC000814173715 835065487 /nfs/dbraw/zinc/06/54/87/835065487.db2.gz ONCMHSMJFBRHKB-PJXYFTJBSA-N 0 3 265.284 1.382 20 10 CDCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CC(F)F)c1 ZINC000828666696 835248011 /nfs/dbraw/zinc/24/80/11/835248011.db2.gz HNWOQRLJTUOSCX-XVKPBYJWSA-N 0 3 288.294 1.561 20 10 CDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)[C@@H](C)O ZINC000930351309 835345149 /nfs/dbraw/zinc/34/51/49/835345149.db2.gz OKICJDULLNWDKS-IUODEOHRSA-N 0 3 267.369 1.736 20 10 CDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)[C@@H](C)O ZINC000930351309 835345159 /nfs/dbraw/zinc/34/51/59/835345159.db2.gz OKICJDULLNWDKS-IUODEOHRSA-N 0 3 267.369 1.736 20 10 CDCDHN CC[C@H](C(=O)NCc1cc(OC)ccc1O)N(C)C ZINC000126528323 835749013 /nfs/dbraw/zinc/74/90/13/835749013.db2.gz DUJSHWZXZOEBLX-GFCCVEGCSA-N 0 3 266.341 1.357 20 10 CDCDHN CC[C@H](N)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001578231157 1167684172 /nfs/dbraw/zinc/68/41/72/1167684172.db2.gz HOJMJDJJRHEFBC-DOMZBBRYSA-N 0 3 277.412 1.846 20 10 CDCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001270703884 904963485 /nfs/dbraw/zinc/96/34/85/904963485.db2.gz UTAZBETYHQEADF-CBSYICTRSA-N 0 3 288.347 1.274 20 10 CDCDHN CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272987447 921306162 /nfs/dbraw/zinc/30/61/62/921306162.db2.gz BVUMOJNKGQMPGI-HNNXBMFYSA-N 0 3 276.336 1.152 20 10 CDCDHN CN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272987447 921306163 /nfs/dbraw/zinc/30/61/63/921306163.db2.gz BVUMOJNKGQMPGI-HNNXBMFYSA-N 0 3 276.336 1.152 20 10 CDCDHN CCN1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001172049312 911189981 /nfs/dbraw/zinc/18/99/81/911189981.db2.gz VPYZHLFUQDBQEJ-CYBMUJFWSA-N 0 3 274.364 1.761 20 10 CDCDHN CCN1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001172049312 911189988 /nfs/dbraw/zinc/18/99/88/911189988.db2.gz VPYZHLFUQDBQEJ-CYBMUJFWSA-N 0 3 274.364 1.761 20 10 CDCDHN CC(C)[C@H](C(=O)N1CCc2cccc(O)c2C1)N(C)C ZINC001183363205 918450328 /nfs/dbraw/zinc/45/03/28/918450328.db2.gz TVYMLJBNZGETMK-OAHLLOKOSA-N 0 3 276.380 1.863 20 10 CDCDHN Cc1c(O)ccc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC001140744345 936748834 /nfs/dbraw/zinc/74/88/34/936748834.db2.gz UNHGRLXTZMSKSW-GFCCVEGCSA-N 0 3 291.269 1.905 20 10 CDCDHN COC(=O)C1(C)CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160210 936822127 /nfs/dbraw/zinc/82/21/27/936822127.db2.gz UBCJQIPVNSDDRU-UHFFFAOYSA-N 0 3 279.336 1.873 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858601077 928894663 /nfs/dbraw/zinc/89/46/63/928894663.db2.gz BJFPSVWJTNVURJ-GVXVVHGQSA-N 0 3 294.370 1.736 20 10 CDCDHN CCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C)C1 ZINC000843990980 931522318 /nfs/dbraw/zinc/52/23/18/931522318.db2.gz ZTIGHPUIVUQESI-LLVKDONJSA-N 0 3 278.352 1.654 20 10 CDCDHN CC(C)[C@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144515604 931880874 /nfs/dbraw/zinc/88/08/74/931880874.db2.gz SBCCUJXLNMEAER-CQSZACIVSA-N 0 3 267.325 1.660 20 10 CDCDHN CN(C)c1ccc(CN(C)c2cc3c(nn2)CCNC3)cc1 ZINC001156920664 938434463 /nfs/dbraw/zinc/43/44/63/938434463.db2.gz GVYCFPUDEKZNMI-UHFFFAOYSA-N 0 3 297.406 1.825 20 10 CDCDHN COc1ccc(O)c(CN2CC[C@@H](F)[C@H](O)C2)c1 ZINC001203670395 939700335 /nfs/dbraw/zinc/70/03/35/939700335.db2.gz QODYHIZVCYYAED-DGCLKSJQSA-N 0 3 255.289 1.306 20 10 CDCDHN CCN1CCN(Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001203883289 939711329 /nfs/dbraw/zinc/71/13/29/939711329.db2.gz HEAPTLNMMRABNZ-LLVKDONJSA-N 0 3 250.342 1.624 20 10 CDCDHN O=C1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]2CCCN12 ZINC001204280702 939752348 /nfs/dbraw/zinc/75/23/48/939752348.db2.gz CCAIPRLBQYKVCW-LBPRGKRZSA-N 0 3 276.336 1.295 20 10 CDCDHN O=C1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]2CCCN12 ZINC001204280702 939752349 /nfs/dbraw/zinc/75/23/49/939752349.db2.gz CCAIPRLBQYKVCW-LBPRGKRZSA-N 0 3 276.336 1.295 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)c([O-])c1 ZINC000405407000 940986909 /nfs/dbraw/zinc/98/69/09/940986909.db2.gz UQVDZMHLAGHDCY-LBPRGKRZSA-N 0 3 262.353 1.974 20 10 CDCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@]3(C(N)=O)C2)c(Cl)c1 ZINC001277552355 942978687 /nfs/dbraw/zinc/97/86/87/942978687.db2.gz YCWRAQHBXGGCQH-IAQYHMDHSA-N 0 3 293.798 1.713 20 10 CDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001277569118 943019079 /nfs/dbraw/zinc/01/90/79/943019079.db2.gz VHNSXEVNZLBBSJ-HNNXBMFYSA-N 0 3 298.386 1.921 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H](O)CO)c2c1 ZINC001234535702 943883397 /nfs/dbraw/zinc/88/33/97/943883397.db2.gz DPLIPZSZUJGHPT-LBPRGKRZSA-N 0 3 291.347 1.339 20 10 CDCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H](O)CO)c2c1 ZINC001234535702 943883403 /nfs/dbraw/zinc/88/34/03/943883403.db2.gz DPLIPZSZUJGHPT-LBPRGKRZSA-N 0 3 291.347 1.339 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236783607 944565446 /nfs/dbraw/zinc/56/54/46/944565446.db2.gz MXYQMFQNCOAVAR-JKSUJKDBSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001236783607 944565454 /nfs/dbraw/zinc/56/54/54/944565454.db2.gz MXYQMFQNCOAVAR-JKSUJKDBSA-N 0 3 279.380 1.520 20 10 CDCDHN CCc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001236795270 944571995 /nfs/dbraw/zinc/57/19/95/944571995.db2.gz STAOABLFOQRRDU-UHFFFAOYSA-N 0 3 262.353 1.619 20 10 CDCDHN CCc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC001236795270 944571998 /nfs/dbraw/zinc/57/19/98/944571998.db2.gz STAOABLFOQRRDU-UHFFFAOYSA-N 0 3 262.353 1.619 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](O)[C@H](CO)C2)c1O ZINC001238064070 945044129 /nfs/dbraw/zinc/04/41/29/945044129.db2.gz NWCYHHPSZAEASZ-AAEUAGOBSA-N 0 3 269.316 1.015 20 10 CDCDHN Cc1cc(F)cc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC001238064836 945048587 /nfs/dbraw/zinc/04/85/87/945048587.db2.gz CTMJWGPARMJQSU-UHFFFAOYSA-N 0 3 296.386 1.728 20 10 CDCDHN COC(=O)Cc1ccc(C[NH+]2CC([C@H](C)OC)C2)c([O-])c1 ZINC001249216697 949462065 /nfs/dbraw/zinc/46/20/65/949462065.db2.gz HFRSJNBGLABRDD-NSHDSACASA-N 0 3 293.363 1.574 20 10 CDCDHN C[NH+](C)CC[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001303477865 956090850 /nfs/dbraw/zinc/09/08/50/956090850.db2.gz NQHRLRPFUHFGRN-JTQLQIEISA-N 0 3 268.382 1.868 20 10 CDCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)NCCF ZINC001321696632 959908871 /nfs/dbraw/zinc/90/88/71/959908871.db2.gz RTEQBUCUPJTWFV-ZDUSSCGKSA-N 0 3 293.386 1.851 20 10 CDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC001338264226 961717805 /nfs/dbraw/zinc/71/78/05/961717805.db2.gz OIIUAOAEEMDUBW-LBPRGKRZSA-N 0 3 292.379 1.810 20 10 CDCDHN CCN1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353540926 968056071 /nfs/dbraw/zinc/05/60/71/968056071.db2.gz ZKNOPIRWLRSCFV-UHFFFAOYSA-N 0 3 276.384 1.506 20 10 CDCDHN C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000248647324 362177524 /nfs/dbraw/zinc/17/75/24/362177524.db2.gz IHIJWOLEYFPOIR-GXTWGEPZSA-N 0 3 265.353 1.754 20 10 CDCDHN C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000248647324 362177531 /nfs/dbraw/zinc/17/75/31/362177531.db2.gz IHIJWOLEYFPOIR-GXTWGEPZSA-N 0 3 265.353 1.754 20 10 CDCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000273580550 344826743 /nfs/dbraw/zinc/82/67/43/344826743.db2.gz MOGRIWUIKKVVJM-WPRPVWTQSA-N 0 3 252.289 1.413 20 10 CDCDHN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000072872242 349137941 /nfs/dbraw/zinc/13/79/41/349137941.db2.gz QWMXOJBFSPVVHO-OKILXGFUSA-N 0 3 289.423 1.957 20 10 CDCDHN CCN1CCN(CCC(=O)NCc2ccccc2O)CC1 ZINC000263673575 362940361 /nfs/dbraw/zinc/94/03/61/362940361.db2.gz JIBQCHIXUDXGIV-UHFFFAOYSA-N 0 3 291.395 1.036 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)NC(C)C)c1 ZINC000036781649 356883521 /nfs/dbraw/zinc/88/35/21/356883521.db2.gz LLUAXVMNISNGSU-NSHDSACASA-N 0 3 250.342 1.876 20 10 CDCDHN C[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179586315 357213922 /nfs/dbraw/zinc/21/39/22/357213922.db2.gz RWDISWPSBWUKKG-NEPJUHHUSA-N 0 3 282.359 1.694 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180567599 357276856 /nfs/dbraw/zinc/27/68/56/357276856.db2.gz VNNFNUQIAXOWTP-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180567599 357276858 /nfs/dbraw/zinc/27/68/58/357276858.db2.gz VNNFNUQIAXOWTP-HNNXBMFYSA-N 0 3 279.336 1.786 20 10 CDCDHN Cc1ccc(O)c(CN2CCN(C[C@H](C)O)CC2)c1 ZINC000189862739 358042273 /nfs/dbraw/zinc/04/22/73/358042273.db2.gz RBBRZZQJBFEOGM-ZDUSSCGKSA-N 0 3 264.369 1.199 20 10 CDCDHN C[C@H]1CN(CC[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000191571873 358139498 /nfs/dbraw/zinc/13/94/98/358139498.db2.gz AEFLCYMATBVCSW-ZDUSSCGKSA-N 0 3 264.369 1.545 20 10 CDCDHN C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000191571873 358139502 /nfs/dbraw/zinc/13/95/02/358139502.db2.gz AEFLCYMATBVCSW-ZDUSSCGKSA-N 0 3 264.369 1.545 20 10 CDCDHN [O-]c1cccc(Cl)c1C[NH2+]CCCN1CCC(O)CC1 ZINC000116914733 359651169 /nfs/dbraw/zinc/65/11/69/359651169.db2.gz OTYCXDMETGPWEE-UHFFFAOYSA-N 0 3 298.814 1.982 20 10 CDCDHN [O-]c1cccc(Cl)c1CNCCC[NH+]1CCC(O)CC1 ZINC000116914733 359651172 /nfs/dbraw/zinc/65/11/72/359651172.db2.gz OTYCXDMETGPWEE-UHFFFAOYSA-N 0 3 298.814 1.982 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CC1=CCCOC1)OCO2 ZINC000288473107 367309572 /nfs/dbraw/zinc/30/95/72/367309572.db2.gz PCUMBJOCEFYIOD-UHFFFAOYSA-N 0 3 263.293 1.557 20 10 CDCDHN Cc1cccc(CN[C@H](C)C(=O)NCCF)c1O ZINC000282822144 368053730 /nfs/dbraw/zinc/05/37/30/368053730.db2.gz UDWNUFHBVVONKE-SNVBAGLBSA-N 0 3 254.305 1.264 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c1 ZINC000282969300 368127415 /nfs/dbraw/zinc/12/74/15/368127415.db2.gz INATZLKAVGKRFX-CQSZACIVSA-N 0 3 290.363 1.692 20 10 CDCDHN Cc1ccc([O-])c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285398090 368623451 /nfs/dbraw/zinc/62/34/51/368623451.db2.gz DZBXMJOGPFEMHW-UHFFFAOYSA-N 0 3 265.353 1.722 20 10 CDCDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000288194390 369416000 /nfs/dbraw/zinc/41/60/00/369416000.db2.gz CFOJFPXTXGIAFJ-NEPJUHHUSA-N 0 3 290.363 1.797 20 10 CDCDHN Cc1cccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294677564 371082920 /nfs/dbraw/zinc/08/29/20/371082920.db2.gz AXLCUVAATSEJEC-CYBMUJFWSA-N 0 3 278.352 1.973 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)C1CCOCC1)CC2 ZINC000296733229 378744610 /nfs/dbraw/zinc/74/46/10/378744610.db2.gz JBRGYAPUJQYNIO-UKRRQHHQSA-N 0 3 277.364 1.757 20 10 CDCDHN CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000186299853 378846654 /nfs/dbraw/zinc/84/66/54/378846654.db2.gz MRFQEZFFZWZTEZ-TZMCWYRMSA-N 0 3 251.326 1.584 20 10 CDCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[NH2+]C[C@H]1O ZINC001580886039 1172563918 /nfs/dbraw/zinc/56/39/18/1172563918.db2.gz VNZVIIHEEABZHQ-WDEREUQCSA-N 0 3 291.178 1.511 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCSC1)OCO2 ZINC000228552004 390935072 /nfs/dbraw/zinc/93/50/72/390935072.db2.gz ARSWUDKYIHFWKD-SECBINFHSA-N 0 3 267.350 1.964 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000193588497 391342026 /nfs/dbraw/zinc/34/20/26/391342026.db2.gz DRIVEPKQWPJAID-BXUZGUMPSA-N 0 3 261.369 1.367 20 10 CDCDHN O=C(NCc1ccccc1O)C12CCCN1CCC2 ZINC000367394547 391723098 /nfs/dbraw/zinc/72/30/98/391723098.db2.gz OSNBEJLEQAQQBD-UHFFFAOYSA-N 0 3 260.337 1.637 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175264 391841040 /nfs/dbraw/zinc/84/10/40/391841040.db2.gz GRQLWPAIVKMYIJ-VXGBXAGGSA-N 0 3 291.347 1.979 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175264 391841042 /nfs/dbraw/zinc/84/10/42/391841042.db2.gz GRQLWPAIVKMYIJ-VXGBXAGGSA-N 0 3 291.347 1.979 20 10 CDCDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000038047621 174057974 /nfs/dbraw/zinc/05/79/74/174057974.db2.gz HKOJVSNUPLDBCX-GFCCVEGCSA-N 0 3 284.425 1.838 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000038082636 174091861 /nfs/dbraw/zinc/09/18/61/174091861.db2.gz FHBGCKWSUQTKMO-MNOVXSKESA-N 0 3 269.366 1.478 20 10 CDCDHN COc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1[O-] ZINC000059240732 262387458 /nfs/dbraw/zinc/38/74/58/262387458.db2.gz GJVNZJGUCKRCAL-GFCCVEGCSA-N 0 3 253.342 1.897 20 10 CDCDHN CCC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000050193214 273621612 /nfs/dbraw/zinc/62/16/12/273621612.db2.gz JBHHQJMBQJBTJR-HNNXBMFYSA-N 0 3 278.396 1.978 20 10 CDCDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000223946865 327164588 /nfs/dbraw/zinc/16/45/88/327164588.db2.gz TUFVLEZMEODTEK-TZMCWYRMSA-N 0 3 266.385 1.801 20 10 CDCDHN CS[C@@H](CO)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000219065570 329144671 /nfs/dbraw/zinc/14/46/71/329144671.db2.gz AKXQTUPCAUHDLY-HZMBPMFUSA-N 0 3 267.394 1.824 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1OC ZINC000274847851 520367565 /nfs/dbraw/zinc/36/75/65/520367565.db2.gz ATWGTJDAUXKUNH-BNOWGMLFSA-N 0 3 269.316 1.813 20 10 CDCDHN CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000120273875 519809008 /nfs/dbraw/zinc/80/90/08/519809008.db2.gz PCWHEGVHPZVWAH-CQSZACIVSA-N 0 3 264.369 1.937 20 10 CDCDHN CCN(CC)c1ccc(CNC[C@@H](O)COC)cc1 ZINC000071269345 520905767 /nfs/dbraw/zinc/90/57/67/520905767.db2.gz FCXNFGUTDYMPQH-OAHLLOKOSA-N 0 3 266.385 1.630 20 10 CDCDHN CCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236880543 521114427 /nfs/dbraw/zinc/11/44/27/521114427.db2.gz ZLHGPKWTVXBPOI-LBPRGKRZSA-N 0 3 267.348 1.635 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+](C)CCC(N)=O)c1 ZINC000289678378 521141694 /nfs/dbraw/zinc/14/16/94/521141694.db2.gz NVTGAAFYHTXLRV-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CCC(N)=O)c1 ZINC000289678378 521141704 /nfs/dbraw/zinc/14/17/04/521141704.db2.gz NVTGAAFYHTXLRV-UHFFFAOYSA-N 0 3 252.314 1.098 20 10 CDCDHN COc1cc(Cl)cc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000289907115 522537557 /nfs/dbraw/zinc/53/75/57/522537557.db2.gz XADBUCQYCJYNLZ-UHFFFAOYSA-N 0 3 272.732 1.361 20 10 CDCDHN COc1cc(Cl)cc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000289907115 522537564 /nfs/dbraw/zinc/53/75/64/522537564.db2.gz XADBUCQYCJYNLZ-UHFFFAOYSA-N 0 3 272.732 1.361 20 10 CDCDHN COc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275850398 525950895 /nfs/dbraw/zinc/95/08/95/525950895.db2.gz HYPIMNPVGRUVIT-CYBMUJFWSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275850398 525950902 /nfs/dbraw/zinc/95/09/02/525950902.db2.gz HYPIMNPVGRUVIT-CYBMUJFWSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279803478 526023164 /nfs/dbraw/zinc/02/31/64/526023164.db2.gz NSOJYRDIJNQJJJ-CYBMUJFWSA-N 0 3 292.379 1.749 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)OCO2 ZINC000151296615 526337047 /nfs/dbraw/zinc/33/70/47/526337047.db2.gz JPOZYHLISHNQRN-HNNXBMFYSA-N 0 3 277.320 1.733 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CCOC3)C1)OCO2 ZINC000151296615 526337052 /nfs/dbraw/zinc/33/70/52/526337052.db2.gz JPOZYHLISHNQRN-HNNXBMFYSA-N 0 3 277.320 1.733 20 10 CDCDHN CC[NH+]1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732275642 575085775 /nfs/dbraw/zinc/08/57/75/575085775.db2.gz FVXHKQVTJBDZHV-UHFFFAOYSA-N 0 3 268.382 1.915 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000769524592 575356705 /nfs/dbraw/zinc/35/67/05/575356705.db2.gz PHWVLTDUHGTKBG-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000769524592 575356706 /nfs/dbraw/zinc/35/67/06/575356706.db2.gz PHWVLTDUHGTKBG-NSHDSACASA-N 0 3 278.352 1.488 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)CCOC)c([O-])c1 ZINC000734846793 575387587 /nfs/dbraw/zinc/38/75/87/575387587.db2.gz RBCFPBQAWDSFCZ-OAHLLOKOSA-N 0 3 283.368 1.668 20 10 CDCDHN C[C@H]1C[C@H]([NH2+]CCOCCO)c2c1c(F)ccc2[O-] ZINC000756360810 575793788 /nfs/dbraw/zinc/79/37/88/575793788.db2.gz DZJQJJDRAAUMPI-ONGXEEELSA-N 0 3 269.316 1.678 20 10 CDCDHN CCCN1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768137904 576260438 /nfs/dbraw/zinc/26/04/38/576260438.db2.gz OBTUGJHWNLNDCL-UHFFFAOYSA-N 0 3 264.369 1.928 20 10 CDCDHN C[C@H]1CSCCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444702 576283689 /nfs/dbraw/zinc/28/36/89/576283689.db2.gz BHJZTESRXPMGTH-ZANVPECISA-N 0 3 281.377 1.755 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000768463076 576287441 /nfs/dbraw/zinc/28/74/41/576287441.db2.gz FWSXLVYIZYCDGO-GOEBONIOSA-N 0 3 291.347 1.430 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000768463076 576287445 /nfs/dbraw/zinc/28/74/45/576287445.db2.gz FWSXLVYIZYCDGO-GOEBONIOSA-N 0 3 291.347 1.430 20 10 CDCDHN COc1cccc(O)c1CN(C)CCN1CCOCC1 ZINC000769307856 576344018 /nfs/dbraw/zinc/34/40/18/576344018.db2.gz KUYNEHXBJCOTJW-UHFFFAOYSA-N 0 3 280.368 1.165 20 10 CDCDHN Cc1cc(O)c(CN[C@@H]2CCCN(C)C2=O)cc1C ZINC000748242543 576902836 /nfs/dbraw/zinc/90/28/36/576902836.db2.gz PBTRYYWIRTTZIK-CYBMUJFWSA-N 0 3 262.353 1.719 20 10 CDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C)C2=O)cc1C ZINC000748242543 576902837 /nfs/dbraw/zinc/90/28/37/576902837.db2.gz PBTRYYWIRTTZIK-CYBMUJFWSA-N 0 3 262.353 1.719 20 10 CDCDHN C[C@@H](O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893999370 618241403 /nfs/dbraw/zinc/24/14/03/618241403.db2.gz CGVOGMTVLBJTCW-SNVBAGLBSA-N 0 3 286.322 1.169 20 10 CDCDHN C[C@@H](O)C[NH+]1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893999370 618241405 /nfs/dbraw/zinc/24/14/05/618241405.db2.gz CGVOGMTVLBJTCW-SNVBAGLBSA-N 0 3 286.322 1.169 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000795584002 618390006 /nfs/dbraw/zinc/39/00/06/618390006.db2.gz VDYNZBZUZVJZQW-RYUDHWBXSA-N 0 3 281.352 1.135 20 10 CDCDHN CCN(C)C(=O)CNCc1cc(C)cc(OC)c1O ZINC000894491183 618916544 /nfs/dbraw/zinc/91/65/44/618916544.db2.gz KRDQUKJJNRIZQU-UHFFFAOYSA-N 0 3 266.341 1.277 20 10 CDCDHN COc1cccc(CN[C@H]2C(=O)NCC2(C)C)c1O ZINC000895316076 619545973 /nfs/dbraw/zinc/54/59/73/619545973.db2.gz HYOZNIYTSUJRAS-LBPRGKRZSA-N 0 3 264.325 1.015 20 10 CDCDHN CC[N@H+](CCC(=O)NC)Cc1cc(F)ccc1[O-] ZINC000897709902 621082744 /nfs/dbraw/zinc/08/27/44/621082744.db2.gz KPSWWMQWAMJGKY-UHFFFAOYSA-N 0 3 254.305 1.489 20 10 CDCDHN CC[N@@H+](CCC(=O)NC)Cc1cc(F)ccc1[O-] ZINC000897709902 621082748 /nfs/dbraw/zinc/08/27/48/621082748.db2.gz KPSWWMQWAMJGKY-UHFFFAOYSA-N 0 3 254.305 1.489 20 10 CDCDHN COC[C@]1(CNCc2cccc(Cl)c2[O-])CCC[NH2+]1 ZINC000841067312 621699171 /nfs/dbraw/zinc/69/91/71/621699171.db2.gz MYZFJMCJFMSQMX-CQSZACIVSA-N 0 3 284.787 1.904 20 10 CDCDHN COC[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCN1 ZINC000841067312 621699176 /nfs/dbraw/zinc/69/91/76/621699176.db2.gz MYZFJMCJFMSQMX-CQSZACIVSA-N 0 3 284.787 1.904 20 10 CDCDHN COc1cccc(N)c1N[C@H](C)[C@@H]1CNCCO1 ZINC001170570842 1162957418 /nfs/dbraw/zinc/95/74/18/1162957418.db2.gz LNOCXNRIHPIUEK-SKDRFNHKSA-N 0 3 251.330 1.066 20 10 CDCDHN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000724870168 837555322 /nfs/dbraw/zinc/55/53/22/837555322.db2.gz RJIIHQOYCMSUPX-DGCLKSJQSA-N 0 3 255.289 1.425 20 10 CDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@@H]2O)cc1 ZINC000866418807 837687182 /nfs/dbraw/zinc/68/71/82/837687182.db2.gz USIDXHGKFDBKAN-DFBGVHRSSA-N 0 3 264.369 1.553 20 10 CDCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000806664016 837842715 /nfs/dbraw/zinc/84/27/15/837842715.db2.gz XNQAONSSCGUZFK-JQWIXIFHSA-N 0 3 282.409 1.911 20 10 CDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(F)cc1[O-] ZINC000717368889 835886022 /nfs/dbraw/zinc/88/60/22/835886022.db2.gz ULRXMHIKVKZHEE-KOLCDFICSA-N 0 3 256.321 1.104 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000778193310 835990177 /nfs/dbraw/zinc/99/01/77/835990177.db2.gz ZKLDBUBTNUZFQI-CHWSQXEVSA-N 0 3 251.326 1.650 20 10 CDCDHN Oc1cc2c(cc1CN1CCC[C@H](O)C1)OCO2 ZINC000007011659 836005595 /nfs/dbraw/zinc/00/55/95/836005595.db2.gz LYQDAXMUUFVWTA-JTQLQIEISA-N 0 3 251.282 1.078 20 10 CDCDHN COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840103986 836376443 /nfs/dbraw/zinc/37/64/43/836376443.db2.gz JBGBAZJXCSLYTJ-GDBMZVCRSA-N 0 3 293.363 1.676 20 10 CDCDHN COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840103986 836376452 /nfs/dbraw/zinc/37/64/52/836376452.db2.gz JBGBAZJXCSLYTJ-GDBMZVCRSA-N 0 3 293.363 1.676 20 10 CDCDHN CCN(CC)c1ccc(CNC(=O)CNCCOC)cc1 ZINC000178712632 836473879 /nfs/dbraw/zinc/47/38/79/836473879.db2.gz ODQFHYYOYHOCDG-UHFFFAOYSA-N 0 3 293.411 1.385 20 10 CDCDHN Cc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000876596901 836482482 /nfs/dbraw/zinc/48/24/82/836482482.db2.gz VITNDULLIPFFAH-AWEZNQCLSA-N 0 3 274.364 1.944 20 10 CDCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)OC)c1O ZINC000858580095 836938056 /nfs/dbraw/zinc/93/80/56/836938056.db2.gz KHRXAUDGMDJSGW-ZJUUUORDSA-N 0 3 282.340 1.460 20 10 CDCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+](CCO)CCO ZINC000862429407 838816335 /nfs/dbraw/zinc/81/63/35/838816335.db2.gz GLDCWODYLHLLOU-UHFFFAOYSA-N 0 3 287.359 1.846 20 10 CDCDHN COC(=O)CN(CCC[NH3+])Cc1cc(Cl)ccc1[O-] ZINC000841006288 838847768 /nfs/dbraw/zinc/84/77/68/838847768.db2.gz KAQYLMYDMMBGES-UHFFFAOYSA-N 0 3 286.759 1.369 20 10 CDCDHN CCOc1cccc(CN(C)C[C@@H]2COCCO2)c1O ZINC000827139723 839106864 /nfs/dbraw/zinc/10/68/64/839106864.db2.gz CYTIYPLJGKMWGL-CYBMUJFWSA-N 0 3 281.352 1.638 20 10 CDCDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(O)c1O ZINC000718962759 839177345 /nfs/dbraw/zinc/17/73/45/839177345.db2.gz UJDDPDCWJXTEHQ-WDEREUQCSA-N 0 3 276.336 1.407 20 10 CDCDHN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000934943903 839756392 /nfs/dbraw/zinc/75/63/92/839756392.db2.gz VXBLNXIOUQWYQX-AWEZNQCLSA-N 0 3 292.379 1.890 20 10 CDCDHN CNC(=O)C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858174496 839768231 /nfs/dbraw/zinc/76/82/31/839768231.db2.gz RTFDOUMUJIBKKD-SECBINFHSA-N 0 3 285.338 1.645 20 10 CDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188116 839876341 /nfs/dbraw/zinc/87/63/41/839876341.db2.gz RDYPRRKRXCAGJH-NSHDSACASA-N 0 3 273.336 1.702 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000876625881 840082581 /nfs/dbraw/zinc/08/25/81/840082581.db2.gz IEGHXFUVGZVLOB-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000876625881 840082587 /nfs/dbraw/zinc/08/25/87/840082587.db2.gz IEGHXFUVGZVLOB-INIZCTEOSA-N 0 3 290.407 1.997 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000857062151 840349613 /nfs/dbraw/zinc/34/96/13/840349613.db2.gz YRVRYROPGWHQKS-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000857062151 840349631 /nfs/dbraw/zinc/34/96/31/840349631.db2.gz YRVRYROPGWHQKS-NWDGAFQWSA-N 0 3 265.353 1.851 20 10 CDCDHN COCCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649118 840790129 /nfs/dbraw/zinc/79/01/29/840790129.db2.gz ISGVKOXWHSYZEW-VXGBXAGGSA-N 0 3 269.341 1.067 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069143153 840818616 /nfs/dbraw/zinc/81/86/16/840818616.db2.gz QHNDKDJAPXPWLO-LLVKDONJSA-N 0 3 285.365 1.068 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000136823012 841401599 /nfs/dbraw/zinc/40/15/99/841401599.db2.gz CLSYDXPEKMBVTP-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000136823012 841401604 /nfs/dbraw/zinc/40/16/04/841401604.db2.gz CLSYDXPEKMBVTP-NEPJUHHUSA-N 0 3 265.353 1.994 20 10 CDCDHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835075014 841789094 /nfs/dbraw/zinc/78/90/94/841789094.db2.gz UJGYWFALLPANIB-QWHCGFSZSA-N 0 3 278.327 1.774 20 10 CDCDHN [O-]c1ccccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846109912 841981948 /nfs/dbraw/zinc/98/19/48/841981948.db2.gz KNSTYFUCPSGNOW-AWEZNQCLSA-N 0 3 251.326 1.413 20 10 CDCDHN Cc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000877588981 842898677 /nfs/dbraw/zinc/89/86/77/842898677.db2.gz DRZOGZAAGRWWIH-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN O=C1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1C1CC1 ZINC000846070959 842939014 /nfs/dbraw/zinc/93/90/14/842939014.db2.gz BDQVGTCMWBUAPP-JTQLQIEISA-N 0 3 278.327 1.632 20 10 CDCDHN Nc1ccc(CCNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000832659195 842979780 /nfs/dbraw/zinc/97/97/80/842979780.db2.gz SCEXNMRIOWILEW-KRWDZBQOSA-N 0 3 295.386 1.815 20 10 CDCDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)F ZINC000698651745 912625846 /nfs/dbraw/zinc/62/58/46/912625846.db2.gz BOVWDSFGOBRWDO-CYBMUJFWSA-N 0 3 257.280 1.727 20 10 CDCDHN COc1cc([O-])c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204674854 901537305 /nfs/dbraw/zinc/53/73/05/901537305.db2.gz GUTVADXKQBEJAN-UHFFFAOYSA-N 0 3 270.760 1.850 20 10 CDCDHN CC(C)c1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204837282 907616167 /nfs/dbraw/zinc/61/61/67/907616167.db2.gz ZJKUDDRLWHZSMU-OLZOCXBDSA-N 0 3 252.333 1.997 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000093814055 909358342 /nfs/dbraw/zinc/35/83/42/909358342.db2.gz PSIVCPGVBYJQOR-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000093814055 909358358 /nfs/dbraw/zinc/35/83/58/909358358.db2.gz PSIVCPGVBYJQOR-OAHLLOKOSA-N 0 3 279.336 1.786 20 10 CDCDHN CN(C)c1ccc(/C=C/C(=O)N2CC(C)(N(C)C)C2)cc1 ZINC001180126386 916167966 /nfs/dbraw/zinc/16/79/66/916167966.db2.gz QNRUDIWTRXCMAI-DHZHZOJOSA-N 0 3 287.407 1.928 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCc2nccn2CC1 ZINC001140059003 936675193 /nfs/dbraw/zinc/67/51/93/936675193.db2.gz SPEWDEHLJYHAOA-UHFFFAOYSA-N 0 3 261.300 1.786 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001140059003 936675194 /nfs/dbraw/zinc/67/51/94/936675194.db2.gz SPEWDEHLJYHAOA-UHFFFAOYSA-N 0 3 261.300 1.786 20 10 CDCDHN CC(=O)N1CCC[C@H](N(C)Cc2cc(O)ccc2O)C1 ZINC001141162340 936823048 /nfs/dbraw/zinc/82/30/48/936823048.db2.gz QCLUWPIYNPHMSW-ZDUSSCGKSA-N 0 3 278.352 1.541 20 10 CDCDHN COc1ccc(O)c(CNCc2cnc(C)n2C)c1 ZINC000689212135 936081679 /nfs/dbraw/zinc/08/16/79/936081679.db2.gz SOXQJKMMZITMIB-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN CC[C@@H](C(=O)NCc1cccc(O)c1O)N(C)C ZINC001123890539 936240054 /nfs/dbraw/zinc/24/00/54/936240054.db2.gz ZMUSXYJZCSJMMO-JTQLQIEISA-N 0 3 252.314 1.054 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001203621030 939697390 /nfs/dbraw/zinc/69/73/90/939697390.db2.gz OMOLIXDGDNMBQE-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001203621030 939697389 /nfs/dbraw/zinc/69/73/89/939697389.db2.gz OMOLIXDGDNMBQE-FZMZJTMJSA-N 0 3 265.353 1.994 20 10 CDCDHN CCN(CCCC(=O)OC)Cc1ccc(O)c(O)c1 ZINC001203874580 939710487 /nfs/dbraw/zinc/71/04/87/939710487.db2.gz ALRHBXNBQVHBRW-UHFFFAOYSA-N 0 3 267.325 1.873 20 10 CDCDHN Cn1cncc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000401765654 940879333 /nfs/dbraw/zinc/87/93/33/940879333.db2.gz LKBZMIIXNXXLOC-ZDUSSCGKSA-N 0 3 257.337 1.945 20 10 CDCDHN Cc1cc(C)c(CN2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001231843826 943027063 /nfs/dbraw/zinc/02/70/63/943027063.db2.gz GVTKXYWOPSOJTP-JLJPHGGASA-N 0 3 291.391 1.981 20 10 CDCDHN CN(C)c1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC001232834930 943413218 /nfs/dbraw/zinc/41/32/18/943413218.db2.gz QSMYUWHLKZOOSQ-UHFFFAOYSA-N 0 3 275.396 1.738 20 10 CDCDHN C[C@@H]1CC[C@@H](O)CN1Cc1cc(O)c(O)cc1O ZINC001233483131 943592966 /nfs/dbraw/zinc/59/29/66/943592966.db2.gz ORYHPCFIMMCWBG-PSASIEDQSA-N 0 3 253.298 1.149 20 10 CDCDHN CCc1ccc(C[N@@H+]2CC[C@H](OCC(=O)OC)C2)c([O-])c1 ZINC001236789509 944568371 /nfs/dbraw/zinc/56/83/71/944568371.db2.gz XHXBSOCLTJYAAS-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN CCc1ccc(C[N@H+]2CC[C@H](OCC(=O)OC)C2)c([O-])c1 ZINC001236789509 944568379 /nfs/dbraw/zinc/56/83/79/944568379.db2.gz XHXBSOCLTJYAAS-AWEZNQCLSA-N 0 3 293.363 1.719 20 10 CDCDHN CCN(CC)c1ccc(CN2CCNC2)c(OC)c1 ZINC001236843269 944590372 /nfs/dbraw/zinc/59/03/72/944590372.db2.gz GOFFSKSTMMSTAL-UHFFFAOYSA-N 0 3 263.385 1.904 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001237047173 944647639 /nfs/dbraw/zinc/64/76/39/944647639.db2.gz UBJIELWTLMAUHI-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001237047173 944647643 /nfs/dbraw/zinc/64/76/43/944647643.db2.gz UBJIELWTLMAUHI-AWEZNQCLSA-N 0 3 292.379 1.844 20 10 CDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001237485782 944811551 /nfs/dbraw/zinc/81/15/51/944811551.db2.gz SJRWEZKJONWNQO-ZDUSSCGKSA-N 0 3 277.364 1.816 20 10 CDCDHN COc1cc(CN(C)[C@@H]2CCOC2)c(O)c(OC)c1 ZINC001237675220 944919596 /nfs/dbraw/zinc/91/95/96/944919596.db2.gz CBIWWPCSRQCIMW-LLVKDONJSA-N 0 3 267.325 1.630 20 10 CDCDHN Cc1cc(F)cc(CN2CC[C@H](CO)[C@H](O)C2)c1O ZINC001238059492 945045365 /nfs/dbraw/zinc/04/53/65/945045365.db2.gz DDEHUTMCDORLHA-ZWNOBZJWSA-N 0 3 269.316 1.015 20 10 CDCDHN CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001257028057 948485612 /nfs/dbraw/zinc/48/56/12/948485612.db2.gz QAEWKAHSRVLTHL-JQWIXIFHSA-N 0 3 279.336 1.919 20 10 CDCDHN C[C@@H]1CCN(CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791516 967874898 /nfs/dbraw/zinc/87/48/98/967874898.db2.gz IMRVJWBUXLXIGU-SNVBAGLBSA-N 0 3 264.325 1.056 20 10 CDCDHN C[C@]1(C(=O)NCc2c([O-])cccc2F)CCC[NH2+]C1 ZINC001354864000 968937032 /nfs/dbraw/zinc/93/70/32/968937032.db2.gz BJWNELHPPKUWPA-AWEZNQCLSA-N 0 3 266.316 1.537 20 10 CDCDHN COC(CN(Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000161798051 342483824 /nfs/dbraw/zinc/48/38/24/342483824.db2.gz AVVONWIISLIROT-AWEZNQCLSA-N 0 3 295.379 1.992 20 10 CDCDHN CN(C)c1ccc(CNCC2([S@@](C)=O)CC2)cc1F ZINC000282220017 282290367 /nfs/dbraw/zinc/29/03/67/282290367.db2.gz DWEPSKKPZPMXBF-LJQANCHMSA-N 0 3 284.400 1.892 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@H]2CO)cc1OC ZINC000179665490 357218603 /nfs/dbraw/zinc/21/86/03/357218603.db2.gz HOQBLGXYFYIRCA-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000179665490 357218607 /nfs/dbraw/zinc/21/86/07/357218607.db2.gz HOQBLGXYFYIRCA-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000179665490 357218610 /nfs/dbraw/zinc/21/86/10/357218610.db2.gz HOQBLGXYFYIRCA-LLVKDONJSA-N 0 3 267.325 1.366 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000180014641 357237055 /nfs/dbraw/zinc/23/70/55/357237055.db2.gz YRUWJAWYDKGWHS-LBPRGKRZSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000180014641 357237058 /nfs/dbraw/zinc/23/70/58/357237058.db2.gz YRUWJAWYDKGWHS-LBPRGKRZSA-N 0 3 293.363 1.986 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180218864 357252675 /nfs/dbraw/zinc/25/26/75/357252675.db2.gz SSLRJVRAXBCVRL-CYBMUJFWSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180218864 357252676 /nfs/dbraw/zinc/25/26/76/357252676.db2.gz SSLRJVRAXBCVRL-CYBMUJFWSA-N 0 3 262.353 1.659 20 10 CDCDHN COc1cccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000188803090 357938950 /nfs/dbraw/zinc/93/89/50/357938950.db2.gz KBZISXDMIGMWOM-PWSUYJOCSA-N 0 3 251.326 1.651 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCCCCO)OCO2 ZINC000192904412 358248623 /nfs/dbraw/zinc/24/86/23/358248623.db2.gz QDYYQILKAOKNQO-UHFFFAOYSA-N 0 3 253.298 1.373 20 10 CDCDHN COC[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000020087474 358324267 /nfs/dbraw/zinc/32/42/67/358324267.db2.gz NMGFTHJAAKENHW-CYBMUJFWSA-N 0 3 264.369 1.648 20 10 CDCDHN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000280904228 363675893 /nfs/dbraw/zinc/67/58/93/363675893.db2.gz GATPOUTUPDJBBM-GFCCVEGCSA-N 0 3 296.436 1.980 20 10 CDCDHN COc1cccc(CN2CCOC[C@H](C)C2)c1O ZINC000370051017 360685948 /nfs/dbraw/zinc/68/59/48/360685948.db2.gz BDEJJYYALXPOTO-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN C[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268875614 364108263 /nfs/dbraw/zinc/10/82/63/364108263.db2.gz WNRURIFTJHBXAQ-NEPJUHHUSA-N 0 3 282.359 1.694 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1C ZINC000273612175 365514191 /nfs/dbraw/zinc/51/41/91/365514191.db2.gz WLIINLVSXIQXIO-LSDHHAIUSA-N 0 3 291.439 1.905 20 10 CDCDHN COC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273366865 365489773 /nfs/dbraw/zinc/48/97/73/365489773.db2.gz BRVJGBOZMIMSSV-BXUZGUMPSA-N 0 3 279.380 1.929 20 10 CDCDHN CCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000288696825 369483431 /nfs/dbraw/zinc/48/34/31/369483431.db2.gz YGNQCEBILGYREG-CMPLNLGQSA-N 0 3 299.392 1.314 20 10 CDCDHN C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000272930052 371135975 /nfs/dbraw/zinc/13/59/75/371135975.db2.gz ZJUJCYZZLKMJMG-RYUDHWBXSA-N 0 3 298.408 1.467 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000294056265 378621067 /nfs/dbraw/zinc/62/10/67/378621067.db2.gz PSXQZMSDTUUZKM-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000294056265 378621073 /nfs/dbraw/zinc/62/10/73/378621073.db2.gz PSXQZMSDTUUZKM-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1[O-] ZINC000036933124 260053246 /nfs/dbraw/zinc/05/32/46/260053246.db2.gz JZVFURCUXMTLIN-CYBMUJFWSA-N 0 3 294.395 1.601 20 10 CDCDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccco1 ZINC000174527843 391123941 /nfs/dbraw/zinc/12/39/41/391123941.db2.gz GABWTAWNXWNSIW-HNNXBMFYSA-N 0 3 291.303 1.711 20 10 CDCDHN Cc1cccc(C[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000182196951 391231536 /nfs/dbraw/zinc/23/15/36/391231536.db2.gz ZHCQOBMVOZZFIB-UHFFFAOYSA-N 0 3 278.396 1.901 20 10 CDCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(C)CC1 ZINC000183496216 391265633 /nfs/dbraw/zinc/26/56/33/391265633.db2.gz GBZVBGLZJFEGNF-KBPBESRZSA-N 0 3 277.412 1.679 20 10 CDCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183838814 391271444 /nfs/dbraw/zinc/27/14/44/391271444.db2.gz AYPQVOFHKQXSEL-JTQLQIEISA-N 0 3 250.342 1.815 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000020141746 171028433 /nfs/dbraw/zinc/02/84/33/171028433.db2.gz NHHWEIJPOUDSOR-CYBMUJFWSA-N 0 3 294.395 1.774 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083264 174092742 /nfs/dbraw/zinc/09/27/42/174092742.db2.gz RCJRJCPSWZXEIY-NEPJUHHUSA-N 0 3 283.393 1.786 20 10 CDCDHN C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000157311615 261144500 /nfs/dbraw/zinc/14/45/00/261144500.db2.gz OTJPBFAIXCMAKA-AAEUAGOBSA-N 0 3 278.352 1.247 20 10 CDCDHN COC(=O)N1CC([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186137829 262080893 /nfs/dbraw/zinc/08/08/93/262080893.db2.gz FSLVPMFMLRJFOT-QMMMGPOBSA-N 0 3 268.288 1.633 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180253708 264394868 /nfs/dbraw/zinc/39/48/68/264394868.db2.gz AAVOPJDYFCCKFR-SECBINFHSA-N 0 3 254.305 1.345 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180253708 264394870 /nfs/dbraw/zinc/39/48/70/264394870.db2.gz AAVOPJDYFCCKFR-SECBINFHSA-N 0 3 254.305 1.345 20 10 CDCDHN CC(C)N1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000296840452 275649285 /nfs/dbraw/zinc/64/92/85/275649285.db2.gz MYAKHTLQNMFXHD-QWHCGFSZSA-N 0 3 274.364 1.978 20 10 CDCDHN C[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295874852 279319976 /nfs/dbraw/zinc/31/99/76/279319976.db2.gz HFVONIMKGIZYBP-OCCSQVGLSA-N 0 3 276.380 1.690 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1 ZINC000185002851 329264486 /nfs/dbraw/zinc/26/44/86/329264486.db2.gz YNTHFRBKMPVTPF-LBPRGKRZSA-N 0 3 292.379 1.633 20 10 CDCDHN C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1[O-] ZINC000126320264 329591523 /nfs/dbraw/zinc/59/15/23/329591523.db2.gz WZMTVNUKLQGCET-VIFPVBQESA-N 0 3 252.314 1.168 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCOCCO)c1[O-] ZINC000228669338 522541230 /nfs/dbraw/zinc/54/12/30/522541230.db2.gz YSAQEIJMAUZZLZ-UHFFFAOYSA-N 0 3 275.732 1.153 20 10 CDCDHN CN(C)c1ccc(/C=C/C(=O)N2C[C@@H](F)[C@@H](N)C2)cc1 ZINC001157535579 1162160245 /nfs/dbraw/zinc/16/02/45/1162160245.db2.gz CFAPFYUQAYEOQM-AMVTZNPPSA-N 0 3 277.343 1.273 20 10 CDCDHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000037001268 519334970 /nfs/dbraw/zinc/33/49/70/519334970.db2.gz DPSVMACQUIMVFT-OAHLLOKOSA-N 0 3 277.412 1.904 20 10 CDCDHN CCCN1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000236766076 519854434 /nfs/dbraw/zinc/85/44/34/519854434.db2.gz DVLVAIFMQGHLPS-HNNXBMFYSA-N 0 3 275.396 1.802 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@H](C)CN(C)C)cc1OC ZINC000289858438 522780885 /nfs/dbraw/zinc/78/08/85/522780885.db2.gz QMHSGRGCXIDAOB-JTQLQIEISA-N 0 3 268.357 1.449 20 10 CDCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)(C)O ZINC000293202041 522871563 /nfs/dbraw/zinc/87/15/63/522871563.db2.gz XSGOCLRZNDSQDD-CYBMUJFWSA-N 0 3 267.325 1.760 20 10 CDCDHN CON(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000291353336 523286663 /nfs/dbraw/zinc/28/66/63/523286663.db2.gz XMFHTJAICDNOSZ-UHFFFAOYSA-N 0 3 296.342 1.763 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000228099329 524090088 /nfs/dbraw/zinc/09/00/88/524090088.db2.gz XDSFCNILVPPMJI-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000228099329 524090089 /nfs/dbraw/zinc/09/00/89/524090089.db2.gz XDSFCNILVPPMJI-HNNXBMFYSA-N 0 3 278.352 1.359 20 10 CDCDHN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290269634 524782812 /nfs/dbraw/zinc/78/28/12/524782812.db2.gz XTCZDIKQZQYQER-QWRGUYRKSA-N 0 3 279.336 1.714 20 10 CDCDHN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290269634 524782822 /nfs/dbraw/zinc/78/28/22/524782822.db2.gz XTCZDIKQZQYQER-QWRGUYRKSA-N 0 3 279.336 1.714 20 10 CDCDHN COc1cc(O)c(CN[C@H](CO)CC(F)F)cc1OC ZINC000763521118 575033055 /nfs/dbraw/zinc/03/30/55/575033055.db2.gz NPCXGSPILIBTKT-VIFPVBQESA-N 0 3 291.294 1.515 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@H](CO)CC(F)F)cc1OC ZINC000763521118 575033058 /nfs/dbraw/zinc/03/30/58/575033058.db2.gz NPCXGSPILIBTKT-VIFPVBQESA-N 0 3 291.294 1.515 20 10 CDCDHN CC[NH+](CC)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732279458 575086169 /nfs/dbraw/zinc/08/61/69/575086169.db2.gz MGOXHXRBUJQUJR-VIFPVBQESA-N 0 3 256.371 1.914 20 10 CDCDHN COC[C@@](C)(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000733326543 575114987 /nfs/dbraw/zinc/11/49/87/575114987.db2.gz JTRQKOLQUCWGJX-AWEZNQCLSA-N 0 3 270.348 1.379 20 10 CDCDHN COc1ccc(O)c(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000769540281 575357976 /nfs/dbraw/zinc/35/79/76/575357976.db2.gz LBGCCIQQNDHGMM-RYUDHWBXSA-N 0 3 292.379 1.890 20 10 CDCDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c([O-])c1 ZINC000769570283 575360751 /nfs/dbraw/zinc/36/07/51/575360751.db2.gz YYTXRNWAVONANB-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)NC)c([O-])c1 ZINC000769570283 575360756 /nfs/dbraw/zinc/36/07/56/575360756.db2.gz YYTXRNWAVONANB-LLVKDONJSA-N 0 3 280.368 1.605 20 10 CDCDHN CCOCC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000769785333 575384041 /nfs/dbraw/zinc/38/40/41/575384041.db2.gz AIJPVHBMQKCKLZ-NWDGAFQWSA-N 0 3 283.368 1.839 20 10 CDCDHN Cn1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000771868672 575630097 /nfs/dbraw/zinc/63/00/97/575630097.db2.gz NTJAMIAXIQRWBV-UHFFFAOYSA-N 0 3 299.422 1.462 20 10 CDCDHN C[C@H]([NH2+]CCOCCN(C)C)c1cc(F)cc(F)c1[O-] ZINC000774383622 575944479 /nfs/dbraw/zinc/94/44/79/575944479.db2.gz ZDFMMZAALNBQAL-JTQLQIEISA-N 0 3 288.338 1.899 20 10 CDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CCO)CC1)OCO2 ZINC000768240763 576266506 /nfs/dbraw/zinc/26/65/06/576266506.db2.gz FFTKDLHCIYYKGW-UHFFFAOYSA-N 0 3 279.336 1.715 20 10 CDCDHN COC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768442026 576283392 /nfs/dbraw/zinc/28/33/92/576283392.db2.gz NRGZRUMROQBEEP-CQSZACIVSA-N 0 3 279.336 1.429 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2cn(C)nn2)cc1 ZINC000761224340 576561042 /nfs/dbraw/zinc/56/10/42/576561042.db2.gz WZXFYPKDXLGDQQ-UHFFFAOYSA-N 0 3 289.383 1.392 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCC[C@H](C)CO ZINC000758579291 577119630 /nfs/dbraw/zinc/11/96/30/577119630.db2.gz KEFXMPXQMPFBTD-NSHDSACASA-N 0 3 253.342 1.899 20 10 CDCDHN CCOc1ccc(C[NH+]2CC(COC)C2)c([O-])c1 ZINC000895971384 619929165 /nfs/dbraw/zinc/92/91/65/619929165.db2.gz OZGHFNJDLUMVQU-UHFFFAOYSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383798 620080530 /nfs/dbraw/zinc/08/05/30/620080530.db2.gz FGUFMYDZWGGMJO-LLVKDONJSA-N 0 3 279.336 1.596 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383798 620080534 /nfs/dbraw/zinc/08/05/34/620080534.db2.gz FGUFMYDZWGGMJO-LLVKDONJSA-N 0 3 279.336 1.596 20 10 CDCDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1c(C)cccc1[O-] ZINC000896618229 620167798 /nfs/dbraw/zinc/16/77/98/620167798.db2.gz NVVAJZNMLIVARY-AWEZNQCLSA-N 0 3 278.396 1.901 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(F)ccc1[O-] ZINC000903228924 625927324 /nfs/dbraw/zinc/92/73/24/625927324.db2.gz TXFKBSDZIUMVFE-GFCCVEGCSA-N 0 3 282.359 1.904 20 10 CDCDHN CCCNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000045072214 630571338 /nfs/dbraw/zinc/57/13/38/630571338.db2.gz HCWDGGRHCVORKD-NSHDSACASA-N 0 3 250.342 1.959 20 10 CDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(=O)NC1CC1 ZINC000879648994 1166392086 /nfs/dbraw/zinc/39/20/86/1166392086.db2.gz IRFHFZVBQAMANY-NXEZZACHSA-N 0 3 291.351 1.420 20 10 CDCDHN C[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000788270859 844121769 /nfs/dbraw/zinc/12/17/69/844121769.db2.gz UPYKLCCRVYYTIV-CMPLNLGQSA-N 0 3 252.333 1.847 20 10 CDCDHN CC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858169192 844347508 /nfs/dbraw/zinc/34/75/08/844347508.db2.gz YLCKXKAIALGACN-JTQLQIEISA-N 0 3 258.312 1.891 20 10 CDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000783524605 844585401 /nfs/dbraw/zinc/58/54/01/844585401.db2.gz HZXSMKDXOCBJSL-RTXFEEFZSA-N 0 3 262.353 1.958 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C)C[C@@H]2CO)cc1C ZINC000877645063 844623733 /nfs/dbraw/zinc/62/37/33/844623733.db2.gz ZOCIKGNBHVCDOV-CQSZACIVSA-N 0 3 264.369 1.117 20 10 CDCDHN C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000927083099 843639946 /nfs/dbraw/zinc/63/99/46/843639946.db2.gz DRYVCYSETSYAMK-NWDGAFQWSA-N 0 3 251.326 1.848 20 10 CDCDHN COc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787424190 843674211 /nfs/dbraw/zinc/67/42/11/843674211.db2.gz POVVDFWCYQWMTK-FIXISWKDSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787424190 843674222 /nfs/dbraw/zinc/67/42/22/843674222.db2.gz POVVDFWCYQWMTK-FIXISWKDSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787424190 843674233 /nfs/dbraw/zinc/67/42/33/843674233.db2.gz POVVDFWCYQWMTK-FIXISWKDSA-N 0 3 290.363 1.487 20 10 CDCDHN COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000069140888 844868055 /nfs/dbraw/zinc/86/80/55/844868055.db2.gz JHFXXYDQZDFIBY-NSHDSACASA-N 0 3 285.365 1.068 20 10 CDCDHN CN(C)c1ccc(CN(C)CCOCCO)cc1F ZINC000800545331 844946024 /nfs/dbraw/zinc/94/60/24/844946024.db2.gz NLJMFHWUTKUIHX-UHFFFAOYSA-N 0 3 270.348 1.332 20 10 CDCDHN C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132621661 845056280 /nfs/dbraw/zinc/05/62/80/845056280.db2.gz SQSAXGSSPIDUBF-RNCFNFMXSA-N 0 3 270.760 1.594 20 10 CDCDHN Cc1cc(C)c(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000793710336 845332122 /nfs/dbraw/zinc/33/21/22/845332122.db2.gz RWBJNEWVGXJEMI-ZDUSSCGKSA-N 0 3 297.420 1.876 20 10 CDCDHN CN(C)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC000704337364 845332271 /nfs/dbraw/zinc/33/22/71/845332271.db2.gz CVDZZQIPCYWGAU-AWEZNQCLSA-N 0 3 261.369 1.463 20 10 CDCDHN CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877114760 845622281 /nfs/dbraw/zinc/62/22/81/845622281.db2.gz AHFMIUAAPBGANI-UHFFFAOYSA-N 0 3 264.369 1.953 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894653 845916389 /nfs/dbraw/zinc/91/63/89/845916389.db2.gz SKKYHECNZURMOZ-NSHDSACASA-N 0 3 274.286 1.960 20 10 CDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000839192033 845973740 /nfs/dbraw/zinc/97/37/40/845973740.db2.gz GMDPKPHFIPNCCJ-JKSUJKDBSA-N 0 3 292.379 1.027 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877480481 846003859 /nfs/dbraw/zinc/00/38/59/846003859.db2.gz XAHAQZPEJXJOSL-UHFFFAOYSA-N 0 3 265.353 1.720 20 10 CDCDHN Cc1ccc(C[N@@H+](C)CC2(O)CCOCC2)c([O-])c1 ZINC000877459332 846111782 /nfs/dbraw/zinc/11/17/82/846111782.db2.gz HXEWQYBWCQZHAI-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc(C[N@H+](C)CC2(O)CCOCC2)c([O-])c1 ZINC000877459332 846111786 /nfs/dbraw/zinc/11/17/86/846111786.db2.gz HXEWQYBWCQZHAI-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN C[C@@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752068 846468856 /nfs/dbraw/zinc/46/88/56/846468856.db2.gz RDTRPYAQZIMGHC-ZWNOBZJWSA-N 0 3 275.352 1.208 20 10 CDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(C)C)c1 ZINC000228930280 846544252 /nfs/dbraw/zinc/54/42/52/846544252.db2.gz OFNGBIHDBFKCBL-WDEREUQCSA-N 0 3 280.368 1.965 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000877472183 846548002 /nfs/dbraw/zinc/54/80/02/846548002.db2.gz MEFBDOHVRTWSGF-ZDUSSCGKSA-N 0 3 274.364 1.897 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000877472183 846548007 /nfs/dbraw/zinc/54/80/07/846548007.db2.gz MEFBDOHVRTWSGF-ZDUSSCGKSA-N 0 3 274.364 1.897 20 10 CDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1[O-] ZINC000702572717 846565582 /nfs/dbraw/zinc/56/55/82/846565582.db2.gz IKZNFFOATRQMCV-RISCZKNCSA-N 0 3 250.342 1.109 20 10 CDCDHN COc1ccc(C[NH2+]C2CCS(=O)CC2)c([O-])c1 ZINC000157957857 846727300 /nfs/dbraw/zinc/72/73/00/846727300.db2.gz XIHPVSUMFUNHBY-UHFFFAOYSA-N 0 3 269.366 1.402 20 10 CDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c([O-])c1 ZINC000846053428 846854936 /nfs/dbraw/zinc/85/49/36/846854936.db2.gz SQHXNLRFHOBDEU-CHWSQXEVSA-N 0 3 281.352 1.373 20 10 CDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2COC)c([O-])c1 ZINC000846053428 846854940 /nfs/dbraw/zinc/85/49/40/846854940.db2.gz SQHXNLRFHOBDEU-CHWSQXEVSA-N 0 3 281.352 1.373 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825336873 846954893 /nfs/dbraw/zinc/95/48/93/846954893.db2.gz AGRLCJCNGGRILX-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825336873 846954897 /nfs/dbraw/zinc/95/48/97/846954897.db2.gz AGRLCJCNGGRILX-GFCCVEGCSA-N 0 3 265.353 1.995 20 10 CDCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098509 847174016 /nfs/dbraw/zinc/17/40/16/847174016.db2.gz HFSCLSJKCBOTLS-VIFPVBQESA-N 0 3 256.733 1.124 20 10 CDCDHN CON(C)C(=O)[C@H](C)NCc1cccc(C)c1O ZINC000862539306 847223277 /nfs/dbraw/zinc/22/32/77/847223277.db2.gz MEAAMUJOPNIXHO-JTQLQIEISA-N 0 3 252.314 1.199 20 10 CDCDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877648354 847253450 /nfs/dbraw/zinc/25/34/50/847253450.db2.gz FCBJTRAMMMGHHC-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877648354 847253454 /nfs/dbraw/zinc/25/34/54/847253454.db2.gz FCBJTRAMMMGHHC-CYBMUJFWSA-N 0 3 262.353 1.753 20 10 CDCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000877100209 847303294 /nfs/dbraw/zinc/30/32/94/847303294.db2.gz QSVPCJHKSQZWOC-DOMZBBRYSA-N 0 3 264.369 1.509 20 10 CDCDHN CCCC[C@H](CN)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841029977 847465756 /nfs/dbraw/zinc/46/57/56/847465756.db2.gz IGZADMWCFGKDOV-LLVKDONJSA-N 0 3 297.355 1.916 20 10 CDCDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1[O-] ZINC000179875868 847512785 /nfs/dbraw/zinc/51/27/85/847512785.db2.gz DWSVAUYXRAHHSQ-SNVBAGLBSA-N 0 3 276.296 1.848 20 10 CDCDHN C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000036828483 847986793 /nfs/dbraw/zinc/98/67/93/847986793.db2.gz YSQCSJKZZZQDBC-LLVKDONJSA-N 0 3 298.408 1.467 20 10 CDCDHN CCN(Cc1ccc(=O)[nH]n1)Cc1ccccc1O ZINC001232026324 911940585 /nfs/dbraw/zinc/94/05/85/911940585.db2.gz NEOPKUCKNBWMEB-UHFFFAOYSA-N 0 3 259.309 1.910 20 10 CDCDHN CN1CC2(CC1=O)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140060210 936675481 /nfs/dbraw/zinc/67/54/81/936675481.db2.gz PIWZQYJEMKYKFR-UHFFFAOYSA-N 0 3 292.354 1.976 20 10 CDCDHN Cc1c(O)ccc(CN2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC001140749217 936749594 /nfs/dbraw/zinc/74/95/94/936749594.db2.gz RSVGDWLPWBOYCG-HNNXBMFYSA-N 0 3 292.335 1.481 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001140948138 936782581 /nfs/dbraw/zinc/78/25/81/936782581.db2.gz VHUJWHPOYDFOLQ-CHWSQXEVSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001140948138 936782583 /nfs/dbraw/zinc/78/25/83/936782583.db2.gz VHUJWHPOYDFOLQ-CHWSQXEVSA-N 0 3 253.317 1.995 20 10 CDCDHN COC(=O)C1(O)CCN(Cc2ccc(C)cc2O)CC1 ZINC001140954241 936783899 /nfs/dbraw/zinc/78/38/99/936783899.db2.gz NUNDELJFMNBDBB-UHFFFAOYSA-N 0 3 279.336 1.201 20 10 CDCDHN COc1cc([O-])c(C[N@H+](C)CC2COC2)c(OC)c1 ZINC001141029423 936795060 /nfs/dbraw/zinc/79/50/60/936795060.db2.gz RAIVQOMZJLHGQL-UHFFFAOYSA-N 0 3 267.325 1.488 20 10 CDCDHN COc1cc([O-])c(C[N@@H+](C)CC2COC2)c(OC)c1 ZINC001141029423 936795063 /nfs/dbraw/zinc/79/50/63/936795063.db2.gz RAIVQOMZJLHGQL-UHFFFAOYSA-N 0 3 267.325 1.488 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(CO)C2)c(OC)c1 ZINC001141031976 936795629 /nfs/dbraw/zinc/79/56/29/936795629.db2.gz PAGNBGVYMVYHIJ-OAHLLOKOSA-N 0 3 281.352 1.614 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(CO)C2)c(OC)c1 ZINC001141031976 936795630 /nfs/dbraw/zinc/79/56/30/936795630.db2.gz PAGNBGVYMVYHIJ-OAHLLOKOSA-N 0 3 281.352 1.614 20 10 CDCDHN CCN1CCN(Cc2cc(O)ccc2O)C[C@H]1C ZINC001141163121 936823764 /nfs/dbraw/zinc/82/37/64/936823764.db2.gz PWFHGTUTGPZNPM-LLVKDONJSA-N 0 3 250.342 1.624 20 10 CDCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001203880254 925168889 /nfs/dbraw/zinc/16/88/89/925168889.db2.gz NCDPNYUKXASIFZ-AVGNSLFASA-N 0 3 291.347 1.871 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883300084 930179967 /nfs/dbraw/zinc/17/99/67/930179967.db2.gz NOAFWPISYCFEMI-LLVKDONJSA-N 0 3 299.392 1.458 20 10 CDCDHN CC[NH+]1CCC(N(C)C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148584155 932753178 /nfs/dbraw/zinc/75/31/78/932753178.db2.gz PYKGRPOPIIQMOJ-UHFFFAOYSA-N 0 3 294.351 1.360 20 10 CDCDHN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001203621029 939697023 /nfs/dbraw/zinc/69/70/23/939697023.db2.gz OMOLIXDGDNMBQE-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001203621029 939697025 /nfs/dbraw/zinc/69/70/25/939697025.db2.gz OMOLIXDGDNMBQE-BXUZGUMPSA-N 0 3 265.353 1.994 20 10 CDCDHN Oc1ccc(CN2CCN(C3CCC3)CC2)c(O)c1 ZINC001204272291 939750190 /nfs/dbraw/zinc/75/01/90/939750190.db2.gz MKUQPVUNGSUQFS-UHFFFAOYSA-N 0 3 262.353 1.768 20 10 CDCDHN NC[C@H](N)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218955336 941293003 /nfs/dbraw/zinc/29/30/03/941293003.db2.gz JPZXQILCCXKUDX-HNNXBMFYSA-N 0 3 284.363 1.088 20 10 CDCDHN NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193145 942157309 /nfs/dbraw/zinc/15/73/09/942157309.db2.gz YVZDJQGYQQYEOK-CJNGLKHVSA-N 0 3 290.363 1.575 20 10 CDCDHN NC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277193145 942157310 /nfs/dbraw/zinc/15/73/10/942157310.db2.gz YVZDJQGYQQYEOK-CJNGLKHVSA-N 0 3 290.363 1.575 20 10 CDCDHN CCN1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949295 943699205 /nfs/dbraw/zinc/69/92/05/943699205.db2.gz CPAYIBJRGQCKKB-VIFPVBQESA-N 0 3 275.308 1.514 20 10 CDCDHN CCN1CCN(c2ccc(OC3CN(C)C3)cc2)CC1 ZINC001234658292 943931832 /nfs/dbraw/zinc/93/18/32/943931832.db2.gz ZMDYXJMHTBNEMR-UHFFFAOYSA-N 0 3 275.396 1.521 20 10 CDCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(N)=O)CC2)c1[O-] ZINC001237681734 944922448 /nfs/dbraw/zinc/92/24/48/944922448.db2.gz QCFGGBAJVLHRCY-UHFFFAOYSA-N 0 3 297.786 1.987 20 10 CDCDHN Cc1cc(Cl)cc(CN2CCC(NC(N)=O)CC2)c1O ZINC001237681734 944922452 /nfs/dbraw/zinc/92/24/52/944922452.db2.gz QCFGGBAJVLHRCY-UHFFFAOYSA-N 0 3 297.786 1.987 20 10 CDCDHN Cc1cc(F)cc(CN2CCN3CC[C@@H]3C2)c1O ZINC001238066523 945047286 /nfs/dbraw/zinc/04/72/86/945047286.db2.gz MMJSQOFKZHSTHU-CYBMUJFWSA-N 0 3 250.317 1.730 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c([O-])c1 ZINC001308984624 956612278 /nfs/dbraw/zinc/61/22/78/956612278.db2.gz KZSAWDDDDGTVQL-OAHLLOKOSA-N 0 3 261.321 1.840 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)c([O-])c1 ZINC001308984624 956612283 /nfs/dbraw/zinc/61/22/83/956612283.db2.gz KZSAWDDDDGTVQL-OAHLLOKOSA-N 0 3 261.321 1.840 20 10 CDCDHN CC(C)OCCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001336116056 960210510 /nfs/dbraw/zinc/21/05/10/960210510.db2.gz AXBBDIQCVPRSFP-UHFFFAOYSA-N 0 3 277.412 1.811 20 10 CDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001339876774 962597592 /nfs/dbraw/zinc/59/75/92/962597592.db2.gz YRBWOUMFNSWQMU-CZUORRHYSA-N 0 3 287.407 1.901 20 10 CDCDHN COC(CN(Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000161798186 342483855 /nfs/dbraw/zinc/48/38/55/342483855.db2.gz AVVONWIISLIROT-CQSZACIVSA-N 0 3 295.379 1.992 20 10 CDCDHN CC[C@@H]([NH2+]CCCNC(C)=O)c1ccccc1[O-] ZINC000121107602 343221190 /nfs/dbraw/zinc/22/11/90/343221190.db2.gz CLEFKDQQCPMHSJ-CYBMUJFWSA-N 0 3 250.342 1.959 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCC1(O)CCC1)OCO2 ZINC000283883544 362692459 /nfs/dbraw/zinc/69/24/59/362692459.db2.gz HDOSGFHCDRNBIR-UHFFFAOYSA-N 0 3 265.309 1.516 20 10 CDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000179802767 357225901 /nfs/dbraw/zinc/22/59/01/357225901.db2.gz ZYWUGGLDKGVIFD-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000179802767 357225903 /nfs/dbraw/zinc/22/59/03/357225903.db2.gz ZYWUGGLDKGVIFD-MRXNPFEDSA-N 0 3 290.407 1.997 20 10 CDCDHN CCN(CC)c1ccc(CN2CCN(CCO)CC2)cc1 ZINC000112119206 359287294 /nfs/dbraw/zinc/28/72/94/359287294.db2.gz KSOISQQOSGLCOL-UHFFFAOYSA-N 0 3 291.439 1.643 20 10 CDCDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC000272527474 365278103 /nfs/dbraw/zinc/27/81/03/365278103.db2.gz ZEFFZBAZBLTAPU-SNVBAGLBSA-N 0 3 267.222 1.934 20 10 CDCDHN COc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000282285958 367813377 /nfs/dbraw/zinc/81/33/77/367813377.db2.gz IQALSCJJMUMXKL-QMTHXVAHSA-N 0 3 262.353 1.618 20 10 CDCDHN CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294415004 371059094 /nfs/dbraw/zinc/05/90/94/371059094.db2.gz UABMHWDJIQCJLV-MNOVXSKESA-N 0 3 250.342 1.794 20 10 CDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289188860 391611685 /nfs/dbraw/zinc/61/16/85/391611685.db2.gz ASOJEGYAZSTOGB-HIFRSBDPSA-N 0 3 276.380 1.687 20 10 CDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289188860 391611687 /nfs/dbraw/zinc/61/16/87/391611687.db2.gz ASOJEGYAZSTOGB-HIFRSBDPSA-N 0 3 276.380 1.687 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)CCOC)c1[O-] ZINC000172070705 261069825 /nfs/dbraw/zinc/06/98/25/261069825.db2.gz UKDFJHKGVNNEMA-OAHLLOKOSA-N 0 3 283.368 1.668 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000185777725 262070012 /nfs/dbraw/zinc/07/00/12/262070012.db2.gz BTBFNSWFPLWVTI-GFCCVEGCSA-N 0 3 294.351 1.721 20 10 CDCDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272445741 263004660 /nfs/dbraw/zinc/00/46/60/263004660.db2.gz MYSYXOAQHLJHTD-STMXVASLSA-N 0 3 290.363 1.712 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530182323 271136167 /nfs/dbraw/zinc/13/61/67/271136167.db2.gz TYOBMVIXYVZPHY-NSHDSACASA-N 0 3 286.759 1.132 20 10 CDCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297806988 278261260 /nfs/dbraw/zinc/26/12/60/278261260.db2.gz QQBMDQKQEBRXLS-ZFWWWQNUSA-N 0 3 289.423 1.605 20 10 CDCDHN O=C([C@H]1CC[N@@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000377861498 329032129 /nfs/dbraw/zinc/03/21/29/329032129.db2.gz RRCCDQSRESOPFN-AWEZNQCLSA-N 0 3 274.364 1.837 20 10 CDCDHN O=C([C@H]1CC[N@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000377861498 329032130 /nfs/dbraw/zinc/03/21/30/329032130.db2.gz RRCCDQSRESOPFN-AWEZNQCLSA-N 0 3 274.364 1.837 20 10 CDCDHN CCn1nncc1CNCc1cc(C)c(C)cc1O ZINC000527725583 330277528 /nfs/dbraw/zinc/27/75/28/330277528.db2.gz FOSGVIBZYYEYJD-UHFFFAOYSA-N 0 3 260.341 1.910 20 10 CDCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000228932949 333298943 /nfs/dbraw/zinc/29/89/43/333298943.db2.gz IUVGXEUDAGGSPL-DGCLKSJQSA-N 0 3 290.363 1.654 20 10 CDCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]21 ZINC000228932949 333298944 /nfs/dbraw/zinc/29/89/44/333298944.db2.gz IUVGXEUDAGGSPL-DGCLKSJQSA-N 0 3 290.363 1.654 20 10 CDCDHN CCN(CC)CC(=O)NCc1ccc(O)c(O)c1 ZINC000130165036 520577939 /nfs/dbraw/zinc/57/79/39/520577939.db2.gz PWEUWKUQMUKNFY-UHFFFAOYSA-N 0 3 252.314 1.056 20 10 CDCDHN CCOc1ccc([O-])c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278532029 521155582 /nfs/dbraw/zinc/15/55/82/521155582.db2.gz VKIYAEASKWWPQI-OAHLLOKOSA-N 0 3 281.352 1.422 20 10 CDCDHN CCC[N@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000263911219 521629300 /nfs/dbraw/zinc/62/93/00/521629300.db2.gz LFHQXBNTUQHQLO-UHFFFAOYSA-N 0 3 250.342 1.740 20 10 CDCDHN CCC[N@@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000263911219 521629306 /nfs/dbraw/zinc/62/93/06/521629306.db2.gz LFHQXBNTUQHQLO-UHFFFAOYSA-N 0 3 250.342 1.740 20 10 CDCDHN COC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCO1 ZINC000278784936 522361658 /nfs/dbraw/zinc/36/16/58/522361658.db2.gz ZQBGMNAXIKVBSP-DGCLKSJQSA-N 0 3 295.335 1.405 20 10 CDCDHN CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccccc1[O-] ZINC000290258586 522760556 /nfs/dbraw/zinc/76/05/56/522760556.db2.gz UXTUDYDDUFUUPT-OBJOEFQTSA-N 0 3 251.326 1.847 20 10 CDCDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1OC ZINC000279426890 522782476 /nfs/dbraw/zinc/78/24/76/522782476.db2.gz NUQHWTBVRMFIIR-ZUZCIYMTSA-N 0 3 297.351 1.039 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038082796 524762911 /nfs/dbraw/zinc/76/29/11/524762911.db2.gz VKRHSWSHUKKKNW-GHMZBOCLSA-N 0 3 299.392 1.486 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000770292674 575436857 /nfs/dbraw/zinc/43/68/57/575436857.db2.gz OFFHJPKFARRJGN-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000770292674 575436858 /nfs/dbraw/zinc/43/68/58/575436858.db2.gz OFFHJPKFARRJGN-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000772982340 575772200 /nfs/dbraw/zinc/77/22/00/575772200.db2.gz CYUXNXVPFQOIJV-NSHDSACASA-N 0 3 275.352 1.855 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCO1 ZINC000768441725 576283701 /nfs/dbraw/zinc/28/37/01/576283701.db2.gz GYOTXGOUFBNGBZ-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCO1 ZINC000768441725 576283702 /nfs/dbraw/zinc/28/37/02/576283702.db2.gz GYOTXGOUFBNGBZ-WFASDCNBSA-N 0 3 293.363 1.819 20 10 CDCDHN CCOc1ccc(CN2CC[NH2+]C(C)(C)C2)c([O-])c1 ZINC000769191627 576336700 /nfs/dbraw/zinc/33/67/00/576336700.db2.gz FOVPEUBXLDRSRR-UHFFFAOYSA-N 0 3 264.369 1.975 20 10 CDCDHN CNC(=O)CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769468944 576356900 /nfs/dbraw/zinc/35/69/00/576356900.db2.gz QMCULGSPZWCQSK-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000761223915 576561131 /nfs/dbraw/zinc/56/11/31/576561131.db2.gz VCNKQELSMTUBLD-DZGCQCFKSA-N 0 3 281.352 1.684 20 10 CDCDHN O=S1(=O)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000036331327 617227364 /nfs/dbraw/zinc/22/73/64/617227364.db2.gz XOYONRAZLAKHSQ-UHFFFAOYSA-N 0 3 255.339 1.059 20 10 CDCDHN COc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)c(O)c1OC ZINC000893669270 617819241 /nfs/dbraw/zinc/81/92/41/617819241.db2.gz LSPGNJZXLQRISI-RYUDHWBXSA-N 0 3 294.395 1.934 20 10 CDCDHN COc1ccc(C[N@H+](C)CC2CC(O)C2)c([O-])c1OC ZINC000893907949 618184815 /nfs/dbraw/zinc/18/48/15/618184815.db2.gz RWJKQEDMNCVHJY-UHFFFAOYSA-N 0 3 281.352 1.612 20 10 CDCDHN COc1ccc(C[N@@H+](C)CC2CC(O)C2)c([O-])c1OC ZINC000893907949 618184819 /nfs/dbraw/zinc/18/48/19/618184819.db2.gz RWJKQEDMNCVHJY-UHFFFAOYSA-N 0 3 281.352 1.612 20 10 CDCDHN COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000896144662 620002176 /nfs/dbraw/zinc/00/21/76/620002176.db2.gz ZBQJOTPOASTCNV-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000896144662 620002178 /nfs/dbraw/zinc/00/21/78/620002178.db2.gz ZBQJOTPOASTCNV-AAEUAGOBSA-N 0 3 263.337 1.942 20 10 CDCDHN C[C@H]1C[C@@H]([NH2+]CCCON)c2c1c(F)ccc2[O-] ZINC000902422960 624792164 /nfs/dbraw/zinc/79/21/64/624792164.db2.gz HMVOXYALIQZNKG-WCBMZHEXSA-N 0 3 254.305 1.950 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000903227736 625925060 /nfs/dbraw/zinc/92/50/60/625925060.db2.gz NLXCXFGNWYECMZ-CQSZACIVSA-N 0 3 276.380 1.691 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C1(CO)CCOCC1 ZINC000827909912 697868659 /nfs/dbraw/zinc/86/86/59/697868659.db2.gz YWDGZELXEDQZQA-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C1(CO)CCOCC1 ZINC000827909912 697868662 /nfs/dbraw/zinc/86/86/62/697868662.db2.gz YWDGZELXEDQZQA-UHFFFAOYSA-N 0 3 251.326 1.366 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCNc1cnccn1)CC2 ZINC000834625239 698005338 /nfs/dbraw/zinc/00/53/38/698005338.db2.gz WEQKBGRMTRATAM-LBPRGKRZSA-N 0 3 270.336 1.871 20 10 CDCDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385398314 698325738 /nfs/dbraw/zinc/32/57/38/698325738.db2.gz VFWCGZSNDCHZRO-SKDRFNHKSA-N 0 3 252.745 1.839 20 10 CDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841752219 698409381 /nfs/dbraw/zinc/40/93/81/698409381.db2.gz NBITWEQFAKIDFJ-QMTHXVAHSA-N 0 3 284.787 1.763 20 10 CDCDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1[O-] ZINC000796936125 698425680 /nfs/dbraw/zinc/42/56/80/698425680.db2.gz DSRVMCVTWIXOSM-ZFWWWQNUSA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000866421221 698577270 /nfs/dbraw/zinc/57/72/70/698577270.db2.gz XSULCXBUFYLBEX-LZDMXVKQSA-N 0 3 267.300 1.429 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000797903119 698612987 /nfs/dbraw/zinc/61/29/87/698612987.db2.gz OQPRAFZXTFSBBB-IBGZPJMESA-N 0 3 283.393 1.792 20 10 CDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000876722285 698658483 /nfs/dbraw/zinc/65/84/83/698658483.db2.gz YZHWVAMFJICRPN-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c([O-])c1 ZINC000876722285 698658498 /nfs/dbraw/zinc/65/84/98/698658498.db2.gz YZHWVAMFJICRPN-AWEZNQCLSA-N 0 3 265.353 1.674 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877494622 698887128 /nfs/dbraw/zinc/88/71/28/698887128.db2.gz MQDRJUWEJGVNNT-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877494622 698887130 /nfs/dbraw/zinc/88/71/30/698887130.db2.gz MQDRJUWEJGVNNT-HNNXBMFYSA-N 0 3 262.353 1.659 20 10 CDCDHN CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842911134 698894144 /nfs/dbraw/zinc/89/41/44/698894144.db2.gz YAGWUWOGRSEZBI-NILFDRSVSA-N 0 3 264.369 1.817 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843355821 698986329 /nfs/dbraw/zinc/98/63/29/698986329.db2.gz KAIJUPWUNOOGLS-LKFCYVNXSA-N 0 3 296.342 1.282 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)CNCCOC ZINC000236732088 704823017 /nfs/dbraw/zinc/82/30/17/704823017.db2.gz VRIWJRSMEHGROT-UHFFFAOYSA-N 0 3 280.368 1.367 20 10 CDCDHN CCN(CC)C(=O)CNCc1cc(OC)c(OC)cc1O ZINC000776096559 704879978 /nfs/dbraw/zinc/87/99/78/704879978.db2.gz CLPNBMUMWSGEKY-UHFFFAOYSA-N 0 3 296.367 1.367 20 10 CDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000817280716 705168938 /nfs/dbraw/zinc/16/89/38/705168938.db2.gz KSMODJGVRCKGAK-HNNXBMFYSA-N 0 3 275.396 1.771 20 10 CDCDHN CCc1cccc(CN2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000848919743 705209138 /nfs/dbraw/zinc/20/91/38/705209138.db2.gz RJGBTRXXGRNKPV-OAHLLOKOSA-N 0 3 276.380 1.205 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCO2)c2c1c(F)ccc2[O-] ZINC000817984168 848184974 /nfs/dbraw/zinc/18/49/74/848184974.db2.gz VQYLDTYLKMEVSN-JFGNBEQYSA-N 0 3 280.343 1.658 20 10 CDCDHN COc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)c([O-])c1 ZINC000040906186 848236808 /nfs/dbraw/zinc/23/68/08/848236808.db2.gz UAYCBBXNOOYLNG-UHFFFAOYSA-N 0 3 285.365 1.068 20 10 CDCDHN CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381947874 848375750 /nfs/dbraw/zinc/37/57/50/848375750.db2.gz ANNGUHRDPUEGJA-CMPLNLGQSA-N 0 3 262.353 1.882 20 10 CDCDHN C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)c1ccccc1O ZINC000870988790 848386285 /nfs/dbraw/zinc/38/62/85/848386285.db2.gz ZMOQDCHKFAKQLQ-SECBINFHSA-N 0 3 286.335 1.252 20 10 CDCDHN CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877090125 848459961 /nfs/dbraw/zinc/45/99/61/848459961.db2.gz RTVBGAVWCAHZHP-ZDUSSCGKSA-N 0 3 262.353 1.801 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000783507665 848970560 /nfs/dbraw/zinc/97/05/60/848970560.db2.gz DJLPPFWOJDRNIF-QWHCGFSZSA-N 0 3 264.369 1.764 20 10 CDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000809752138 849041035 /nfs/dbraw/zinc/04/10/35/849041035.db2.gz NOZLVSOMRVBGJR-CYBMUJFWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000809752138 849041048 /nfs/dbraw/zinc/04/10/48/849041048.db2.gz NOZLVSOMRVBGJR-CYBMUJFWSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)c([O-])c1 ZINC000122919611 849180276 /nfs/dbraw/zinc/18/02/76/849180276.db2.gz YOVJQLRYNJLLQF-AWEZNQCLSA-N 0 3 267.325 1.296 20 10 CDCDHN COCC[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000775203518 849824044 /nfs/dbraw/zinc/82/40/44/849824044.db2.gz LJNCNVDGAGNLMP-CQSZACIVSA-N 0 3 269.316 1.817 20 10 CDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)COCC1CC1)CC2 ZINC000834552200 850127284 /nfs/dbraw/zinc/12/72/84/850127284.db2.gz XOVVRHPRTVVZHK-KGLIPLIRSA-N 0 3 277.364 1.757 20 10 CDCDHN COC[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000883317260 850161208 /nfs/dbraw/zinc/16/12/08/850161208.db2.gz ZOQCSPJPIJDUEP-PHIMTYICSA-N 0 3 251.326 1.915 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]CCN1CCCOCC1 ZINC000809751047 850221772 /nfs/dbraw/zinc/22/17/72/850221772.db2.gz NVBHTGWFBHGOFS-UHFFFAOYSA-N 0 3 280.368 1.213 20 10 CDCDHN CCOCc1cc(CNC/C=C/CO)ccc1OC ZINC000850357505 850297650 /nfs/dbraw/zinc/29/76/50/850297650.db2.gz LTZXMKKLMKEVLK-SNAWJCMRSA-N 0 3 265.353 1.870 20 10 CDCDHN CN(CC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000234277778 850314791 /nfs/dbraw/zinc/31/47/91/850314791.db2.gz VFTDNWANXNDNFA-UHFFFAOYSA-N 0 3 259.147 1.545 20 10 CDCDHN C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000834908897 850331752 /nfs/dbraw/zinc/33/17/52/850331752.db2.gz MQOMFVQOMMBREQ-LKFCYVNXSA-N 0 3 266.316 1.851 20 10 CDCDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183565658 850473777 /nfs/dbraw/zinc/47/37/77/850473777.db2.gz ISSFAFQMLVUMDI-MNOVXSKESA-N 0 3 271.382 1.866 20 10 CDCDHN CN1C(=O)NCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000822529369 850475563 /nfs/dbraw/zinc/47/55/63/850475563.db2.gz DERXDAOCNKUPRF-UHFFFAOYSA-N 0 3 275.352 1.382 20 10 CDCDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235995606 914516000 /nfs/dbraw/zinc/51/60/00/914516000.db2.gz VKGAVGHBMSSVBK-LKFCYVNXSA-N 0 3 282.771 1.977 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Cl ZINC001236034106 914607377 /nfs/dbraw/zinc/60/73/77/914607377.db2.gz YYSOXPAVXXBWHT-GWCFXTLKSA-N 0 3 252.745 1.887 20 10 CDCDHN CN1CC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001269608125 903971146 /nfs/dbraw/zinc/97/11/46/903971146.db2.gz VDBFCYSLJRFFIR-UHFFFAOYSA-N 0 3 276.336 1.266 20 10 CDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC001203585498 919041177 /nfs/dbraw/zinc/04/11/77/919041177.db2.gz OBHFLDBUIXHXIP-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC001203585498 919041192 /nfs/dbraw/zinc/04/11/92/919041192.db2.gz OBHFLDBUIXHXIP-WCQYABFASA-N 0 3 265.353 1.994 20 10 CDCDHN COc1cccc(CN2CC[C@H](F)[C@@H](O)C2)c1O ZINC001203586118 919064920 /nfs/dbraw/zinc/06/49/20/919064920.db2.gz YOIRGMUNUHLQDX-QWRGUYRKSA-N 0 3 255.289 1.306 20 10 CDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)C1(C)COC1 ZINC001139413781 936618001 /nfs/dbraw/zinc/61/80/01/936618001.db2.gz ZREAYBWNMMDTFS-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN CN1CCN(c2ccc(CN3CCN(C#N)CC3)cc2)CC1 ZINC001139411625 936618028 /nfs/dbraw/zinc/61/80/28/936618028.db2.gz VPEJYDDFGUBMKZ-UHFFFAOYSA-N 0 3 299.422 1.037 20 10 CDCDHN O=C1COC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)CN1 ZINC001140059195 936675128 /nfs/dbraw/zinc/67/51/28/936675128.db2.gz YEZGRDJHPHVTOJ-UHFFFAOYSA-N 0 3 294.326 1.012 20 10 CDCDHN C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462589 936712812 /nfs/dbraw/zinc/71/28/12/936712812.db2.gz IXTFGBFSLMAVMZ-CYBMUJFWSA-N 0 3 284.787 1.808 20 10 CDCDHN COC(=O)N1CCCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140744157 936748998 /nfs/dbraw/zinc/74/89/98/936748998.db2.gz NLTJCRFDMISBHJ-UHFFFAOYSA-N 0 3 294.351 1.680 20 10 CDCDHN CN1CCOc2cc(CN3CC[C@@H](O)[C@H](F)CC3)ccc21 ZINC001141141378 936818966 /nfs/dbraw/zinc/81/89/66/936818966.db2.gz XTVXLWCGTLWOIM-UKRRQHHQSA-N 0 3 294.370 1.810 20 10 CDCDHN CC(C)(O)CCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162471 936823560 /nfs/dbraw/zinc/82/35/60/936823560.db2.gz SVOSITROIIBWQT-UHFFFAOYSA-N 0 3 294.395 1.376 20 10 CDCDHN CN1CCO[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267346 931719129 /nfs/dbraw/zinc/71/91/29/931719129.db2.gz MAGWAFHZXJIFGB-MRXNPFEDSA-N 0 3 276.380 1.689 20 10 CDCDHN CN1CCO[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267346 931719135 /nfs/dbraw/zinc/71/91/35/931719135.db2.gz MAGWAFHZXJIFGB-MRXNPFEDSA-N 0 3 276.380 1.689 20 10 CDCDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C ZINC001155891758 937685803 /nfs/dbraw/zinc/68/58/03/937685803.db2.gz FHVYXXMJXIMPIC-SKDRFNHKSA-N 0 3 289.339 1.671 20 10 CDCDHN COc1cccc(CN2CC3(CSC3)C2)c1O ZINC001203601933 939695645 /nfs/dbraw/zinc/69/56/45/939695645.db2.gz ROEQFHHITHRLHC-UHFFFAOYSA-N 0 3 251.351 1.950 20 10 CDCDHN COCC[NH+](CCOC)Cc1ccc(O)cc1[O-] ZINC001204272831 939749976 /nfs/dbraw/zinc/74/99/76/939749976.db2.gz TXDLPTMPSCCVQP-UHFFFAOYSA-N 0 3 255.314 1.193 20 10 CDCDHN C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1C[NH3+] ZINC001205636135 939911269 /nfs/dbraw/zinc/91/12/69/939911269.db2.gz CNFOLDORPONQJZ-YPMHNXCESA-N 0 3 292.379 1.897 20 10 CDCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1C[NH3+] ZINC001205636135 939911272 /nfs/dbraw/zinc/91/12/72/939911272.db2.gz CNFOLDORPONQJZ-YPMHNXCESA-N 0 3 292.379 1.897 20 10 CDCDHN NC[C@@]1(F)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001206361663 940026599 /nfs/dbraw/zinc/02/65/99/940026599.db2.gz JRPNBULZWNSENG-HNNXBMFYSA-N 0 3 296.342 1.743 20 10 CDCDHN NC[C@@]1(F)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001206361663 940026604 /nfs/dbraw/zinc/02/66/04/940026604.db2.gz JRPNBULZWNSENG-HNNXBMFYSA-N 0 3 296.342 1.743 20 10 CDCDHN Cc1cccc(CN2CCN(CCCO)CC2)c1O ZINC001231591480 942938319 /nfs/dbraw/zinc/93/83/19/942938319.db2.gz DIQNHONPGMTLOW-UHFFFAOYSA-N 0 3 264.369 1.201 20 10 CDCDHN CC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486788 943596220 /nfs/dbraw/zinc/59/62/20/943596220.db2.gz BVAYUEDYULLLGN-SECBINFHSA-N 0 3 251.282 1.214 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001236808056 944574908 /nfs/dbraw/zinc/57/49/08/944574908.db2.gz LBQOQTGKTKPNTC-OAHLLOKOSA-N 0 3 265.353 1.914 20 10 CDCDHN COc1cc(C)c(C[N@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001236808056 944574915 /nfs/dbraw/zinc/57/49/15/944574915.db2.gz LBQOQTGKTKPNTC-OAHLLOKOSA-N 0 3 265.353 1.914 20 10 CDCDHN CCOc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001237044668 944643480 /nfs/dbraw/zinc/64/34/80/944643480.db2.gz MBXBKJMBZMHBCM-UHFFFAOYSA-N 0 3 263.337 1.748 20 10 CDCDHN COc1cc(CN2CC[C@H](OC)C2)c(O)c(OC)c1 ZINC001237669881 944917838 /nfs/dbraw/zinc/91/78/38/944917838.db2.gz PMVQFYCQYWGOTO-NSHDSACASA-N 0 3 267.325 1.630 20 10 CDCDHN CN(C)c1cc(F)c(CNCCN2CCC2)cc1F ZINC001261787905 946279208 /nfs/dbraw/zinc/27/92/08/946279208.db2.gz FFOGWEZJJFZWEO-UHFFFAOYSA-N 0 3 269.339 1.826 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])C[NH+](C)C ZINC000293735601 356075910 /nfs/dbraw/zinc/07/59/10/356075910.db2.gz KZEMALQMYHHNPJ-SECBINFHSA-N 0 3 252.314 1.025 20 10 CDCDHN COCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551043 356547502 /nfs/dbraw/zinc/54/75/02/356547502.db2.gz ZHIREPSNSCRSLT-GFCCVEGCSA-N 0 3 282.359 1.959 20 10 CDCDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000188046445 357838743 /nfs/dbraw/zinc/83/87/43/357838743.db2.gz MDABJXNPXKNPQK-VIFPVBQESA-N 0 3 254.305 1.488 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000188925768 357952455 /nfs/dbraw/zinc/95/24/55/357952455.db2.gz ALNHONCHFULQMU-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000188925768 357952457 /nfs/dbraw/zinc/95/24/57/357952457.db2.gz ALNHONCHFULQMU-UHFFFAOYSA-N 0 3 269.341 1.232 20 10 CDCDHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000092096412 358537465 /nfs/dbraw/zinc/53/74/65/358537465.db2.gz DNBHLMKNHNCJEZ-AWEZNQCLSA-N 0 3 261.369 1.463 20 10 CDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297150128 200098389 /nfs/dbraw/zinc/09/83/89/200098389.db2.gz ZWWRUDKUHYXYRE-GFCCVEGCSA-N 0 3 298.408 1.297 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCSC2)cc1C ZINC000267009476 363710989 /nfs/dbraw/zinc/71/09/89/363710989.db2.gz GGPDPCIGOHNVNI-CQSZACIVSA-N 0 3 267.394 1.967 20 10 CDCDHN CCC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000226251598 360363036 /nfs/dbraw/zinc/36/30/36/360363036.db2.gz IDRPDMMCZUCETE-CQSZACIVSA-N 0 3 267.325 1.762 20 10 CDCDHN COc1cccc(C[NH+]2CCC(CO)CC2)c1[O-] ZINC000127079218 360589965 /nfs/dbraw/zinc/58/99/65/360589965.db2.gz HFLXDDCQWBZOQN-UHFFFAOYSA-N 0 3 251.326 1.605 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000281820630 363845733 /nfs/dbraw/zinc/84/57/33/363845733.db2.gz RBXGRTJSJGWINI-SFHVURJKSA-N 0 3 269.366 1.402 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CCC[C@@H](C)CO)cc1OC ZINC000271869432 365002518 /nfs/dbraw/zinc/00/25/18/365002518.db2.gz XGDCTXQCGOYHGL-LLVKDONJSA-N 0 3 283.368 1.908 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000180624403 365017783 /nfs/dbraw/zinc/01/77/83/365017783.db2.gz YZXHCYCTRSSINS-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000180624403 365017791 /nfs/dbraw/zinc/01/77/91/365017791.db2.gz YZXHCYCTRSSINS-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COCC1(O)CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000271743163 364996475 /nfs/dbraw/zinc/99/64/75/364996475.db2.gz AJNBSCOFLWRRHJ-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN CC[C@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@H]1O ZINC000272028143 365052101 /nfs/dbraw/zinc/05/21/01/365052101.db2.gz YFOJQEQJGZDGNF-IINYFYTJSA-N 0 3 251.326 1.604 20 10 CDCDHN CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@H]1O ZINC000272028143 365052104 /nfs/dbraw/zinc/05/21/04/365052104.db2.gz YFOJQEQJGZDGNF-IINYFYTJSA-N 0 3 251.326 1.604 20 10 CDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000171638412 365343296 /nfs/dbraw/zinc/34/32/96/365343296.db2.gz QPABCVPDKFQCDJ-OAHLLOKOSA-N 0 3 289.379 1.862 20 10 CDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000171638412 365343300 /nfs/dbraw/zinc/34/33/00/365343300.db2.gz QPABCVPDKFQCDJ-OAHLLOKOSA-N 0 3 289.379 1.862 20 10 CDCDHN COCCOCCN(C)Cc1cccc(OC)c1O ZINC000290213960 366978653 /nfs/dbraw/zinc/97/86/53/366978653.db2.gz QXDQDSGTUXZFBS-UHFFFAOYSA-N 0 3 269.341 1.496 20 10 CDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c([O-])c1 ZINC000293885083 370841514 /nfs/dbraw/zinc/84/15/14/370841514.db2.gz VPQHRFMSVLOQLZ-LSDHHAIUSA-N 0 3 291.439 1.905 20 10 CDCDHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000373737048 391129162 /nfs/dbraw/zinc/12/91/62/391129162.db2.gz FOQAKHQTPPZLJT-CWRNSKLLSA-N 0 3 287.407 1.838 20 10 CDCDHN CC[N@H+](CCNC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000177679744 391174893 /nfs/dbraw/zinc/17/48/93/391174893.db2.gz SHTWDSHYGWYRLH-UHFFFAOYSA-N 0 3 278.352 1.620 20 10 CDCDHN CC[N@@H+](CCNC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000177679744 391174896 /nfs/dbraw/zinc/17/48/96/391174896.db2.gz SHTWDSHYGWYRLH-UHFFFAOYSA-N 0 3 278.352 1.620 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1[O-] ZINC000168182234 391276165 /nfs/dbraw/zinc/27/61/65/391276165.db2.gz FVYSBMCRWXJYIB-MGNBDDOMSA-N 0 3 271.382 1.648 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)cc1OC ZINC000281910378 391423463 /nfs/dbraw/zinc/42/34/63/391423463.db2.gz ZYPNUPPPHPMESZ-HXUWFJFHSA-N 0 3 299.392 1.410 20 10 CDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000296540040 286840277 /nfs/dbraw/zinc/84/02/77/286840277.db2.gz QWZBSWOEURSSRN-MNOVXSKESA-N 0 3 286.397 1.371 20 10 CDCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155651737 261105438 /nfs/dbraw/zinc/10/54/38/261105438.db2.gz IAUFGDWCSUCWBM-CYBMUJFWSA-N 0 3 262.353 1.740 20 10 CDCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155651737 261105439 /nfs/dbraw/zinc/10/54/39/261105439.db2.gz IAUFGDWCSUCWBM-CYBMUJFWSA-N 0 3 262.353 1.740 20 10 CDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177774 262312064 /nfs/dbraw/zinc/31/20/64/262312064.db2.gz ATWKGEOUAKYOKA-YGRLFVJLSA-N 0 3 267.325 1.203 20 10 CDCDHN COCCN(CCOC)Cc1cc2c(cc1O)OCO2 ZINC000147453009 263811685 /nfs/dbraw/zinc/81/16/85/263811685.db2.gz YDFXMDCKANKDBS-UHFFFAOYSA-N 0 3 283.324 1.216 20 10 CDCDHN COc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000195006876 277917512 /nfs/dbraw/zinc/91/75/12/277917512.db2.gz BGWABKITWHHUSW-RNCFNFMXSA-N 0 3 264.325 1.015 20 10 CDCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297806981 279313633 /nfs/dbraw/zinc/31/36/33/279313633.db2.gz QQBMDQKQEBRXLS-HIFRSBDPSA-N 0 3 289.423 1.605 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000278681556 327183892 /nfs/dbraw/zinc/18/38/92/327183892.db2.gz GJMZUVSBLACKKG-SLEUVZQESA-N 0 3 265.353 1.891 20 10 CDCDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)N(C)C)c1O ZINC000191806011 533953108 /nfs/dbraw/zinc/95/31/08/533953108.db2.gz DJHIGXLYCONGHB-QMMMGPOBSA-N 0 3 286.759 1.621 20 10 CDCDHN CCN(CC)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000035247185 520905377 /nfs/dbraw/zinc/90/53/77/520905377.db2.gz BUPMERGKYQOSHY-UHFFFAOYSA-N 0 3 275.396 1.901 20 10 CDCDHN CCNC(=O)[C@H](C)NCc1cc(OC)ccc1O ZINC000036794589 521745487 /nfs/dbraw/zinc/74/54/87/521745487.db2.gz NQYYEQCGJHOUBH-VIFPVBQESA-N 0 3 252.314 1.015 20 10 CDCDHN CC[C@H]([NH2+]CC[C@@H](O)COC)c1ccccc1[O-] ZINC000156986760 522596119 /nfs/dbraw/zinc/59/61/19/522596119.db2.gz AYGOYPXRRFWQIT-YPMHNXCESA-N 0 3 253.342 1.830 20 10 CDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000290305195 524009724 /nfs/dbraw/zinc/00/97/24/524009724.db2.gz ZEMAVTXOHHCWRO-OSMZGAPFSA-N 0 3 251.326 1.765 20 10 CDCDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1cc(C)ccc1O ZINC000290305195 524009731 /nfs/dbraw/zinc/00/97/31/524009731.db2.gz ZEMAVTXOHHCWRO-OSMZGAPFSA-N 0 3 251.326 1.765 20 10 CDCDHN COc1ccc([O-])c(C[N@H+](C)CCCCCO)c1 ZINC000279461358 524732667 /nfs/dbraw/zinc/73/26/67/524732667.db2.gz RBQNVFJDCZFDRH-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+](C)CCCCCO)c1 ZINC000279461358 524732678 /nfs/dbraw/zinc/73/26/78/524732678.db2.gz RBQNVFJDCZFDRH-UHFFFAOYSA-N 0 3 253.342 1.995 20 10 CDCDHN Cc1[nH]cnc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278770141 525461299 /nfs/dbraw/zinc/46/12/99/525461299.db2.gz GQWYODJAMHOCTF-UHFFFAOYSA-N 0 3 298.390 1.959 20 10 CDCDHN C[C@H]1CCCCN1CCNC(=O)Cc1ccc(N)cc1 ZINC000237509547 526248500 /nfs/dbraw/zinc/24/85/00/526248500.db2.gz JILCEFFORSYIRB-ZDUSSCGKSA-N 0 3 275.396 1.802 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCCn1ccnc1)OCO2 ZINC000042879650 526336091 /nfs/dbraw/zinc/33/60/91/526336091.db2.gz WFGYOABRXXJNFD-UHFFFAOYSA-N 0 3 275.308 1.497 20 10 CDCDHN OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063000771 527608848 /nfs/dbraw/zinc/60/88/48/527608848.db2.gz XRNPBMAQUKGLQT-ZDUSSCGKSA-N 0 3 287.315 1.944 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCO1 ZINC000768441724 576283113 /nfs/dbraw/zinc/28/31/13/576283113.db2.gz GYOTXGOUFBNGBZ-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCO1 ZINC000768441724 576283116 /nfs/dbraw/zinc/28/31/16/576283116.db2.gz GYOTXGOUFBNGBZ-SWLSCSKDSA-N 0 3 293.363 1.819 20 10 CDCDHN COc1cc(CN2CCCOCC2)c(O)cc1C ZINC000768443273 576283693 /nfs/dbraw/zinc/28/36/93/576283693.db2.gz CSWRTURXSCQZSS-UHFFFAOYSA-N 0 3 251.326 1.932 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000768460732 576286562 /nfs/dbraw/zinc/28/65/62/576286562.db2.gz OIDXKAVRAQXASQ-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000768460732 576286565 /nfs/dbraw/zinc/28/65/65/576286565.db2.gz OIDXKAVRAQXASQ-LBPRGKRZSA-N 0 3 279.336 1.786 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c([O-])c1C ZINC000756554806 576995435 /nfs/dbraw/zinc/99/54/35/576995435.db2.gz JEMUODOSNHXXPQ-STQMWFEESA-N 0 3 266.385 1.582 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN1CCN2CCOC[C@@H]2C1 ZINC000840938414 617615690 /nfs/dbraw/zinc/61/56/90/617615690.db2.gz DSGCYNXWVKWLAZ-KRWDZBQOSA-N 0 3 289.423 1.577 20 10 CDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1 ZINC000840964169 617849966 /nfs/dbraw/zinc/84/99/66/617849966.db2.gz JRYRBUTYAMNSOI-UHFFFAOYSA-N 0 3 299.392 1.458 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503793 618548007 /nfs/dbraw/zinc/54/80/07/618548007.db2.gz LNFPQJZKKBUYEP-ZDUSSCGKSA-N 0 3 276.315 1.960 20 10 CDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503793 618548013 /nfs/dbraw/zinc/54/80/13/618548013.db2.gz LNFPQJZKKBUYEP-ZDUSSCGKSA-N 0 3 276.315 1.960 20 10 CDCDHN COc1ccc(C[NH2+][C@H](C)COC(C)=O)c([O-])c1 ZINC000894186780 618675163 /nfs/dbraw/zinc/67/51/63/618675163.db2.gz YVQZNFRXMNANLI-SECBINFHSA-N 0 3 253.298 1.442 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COCO2)c1[O-] ZINC000894879031 619115733 /nfs/dbraw/zinc/11/57/33/619115733.db2.gz OWJHYWWQEDPCEB-JTQLQIEISA-N 0 3 273.716 1.517 20 10 CDCDHN C[C@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C[NH2+]1 ZINC001576667187 1171483811 /nfs/dbraw/zinc/48/38/11/1171483811.db2.gz SGWFAJCIIRVONS-VHSXEESVSA-N 0 3 281.331 1.471 20 10 CDCDHN C[NH2+]CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817939278 710703246 /nfs/dbraw/zinc/70/32/46/710703246.db2.gz BVUMMJCUDWNTFD-VIFPVBQESA-N 0 3 253.302 1.561 20 10 CDCDHN C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000179893976 705711606 /nfs/dbraw/zinc/71/16/06/705711606.db2.gz REFMSUHUKIKIIN-LLVKDONJSA-N 0 3 283.393 1.868 20 10 CDCDHN C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[O-] ZINC000876996134 705845534 /nfs/dbraw/zinc/84/55/34/705845534.db2.gz PSABIGXHDPULCW-AAEUAGOBSA-N 0 3 262.353 1.929 20 10 CDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CN1 ZINC000841653922 705958251 /nfs/dbraw/zinc/95/82/51/705958251.db2.gz KTBKPURTTPCXBV-OLZOCXBDSA-N 0 3 290.411 1.644 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000877493423 706052328 /nfs/dbraw/zinc/05/23/28/706052328.db2.gz BELFOWUIEMUKBX-KGLIPLIRSA-N 0 3 265.353 1.435 20 10 CDCDHN C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000838149076 706100630 /nfs/dbraw/zinc/10/06/30/706100630.db2.gz VZBDGKVXTHQZNJ-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN C[N@H+]1CCC[C@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000838149076 706100635 /nfs/dbraw/zinc/10/06/35/706100635.db2.gz VZBDGKVXTHQZNJ-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000877516018 706110613 /nfs/dbraw/zinc/11/06/13/706110613.db2.gz ARWSHCVQAOHUAI-HUUCEWRRSA-N 0 3 290.407 1.996 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000877516018 706110614 /nfs/dbraw/zinc/11/06/14/706110614.db2.gz ARWSHCVQAOHUAI-HUUCEWRRSA-N 0 3 290.407 1.996 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@@H]1OC ZINC000824709195 706146455 /nfs/dbraw/zinc/14/64/55/706146455.db2.gz OOWTTXQAPQXADK-ABAIWWIYSA-N 0 3 281.352 1.542 20 10 CDCDHN COc1cccc(O)c1CNC[C@@H](O)C(F)(F)F ZINC000790999213 711379116 /nfs/dbraw/zinc/37/91/16/711379116.db2.gz CCRMSMMDILXUHK-SNVBAGLBSA-N 0 3 265.231 1.414 20 10 CDCDHN CCCOc1ccc(CNC(CO)CO)cc1C ZINC000873062758 709609278 /nfs/dbraw/zinc/60/92/78/709609278.db2.gz ZHLQWAHLFPNZEM-UHFFFAOYSA-N 0 3 253.342 1.227 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877602523 709810097 /nfs/dbraw/zinc/81/00/97/709810097.db2.gz ZBQJOTPOASTCNV-DGCLKSJQSA-N 0 3 263.337 1.942 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877602523 709810098 /nfs/dbraw/zinc/81/00/98/709810098.db2.gz ZBQJOTPOASTCNV-DGCLKSJQSA-N 0 3 263.337 1.942 20 10 CDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CCOC ZINC000884113266 709890740 /nfs/dbraw/zinc/89/07/40/709890740.db2.gz LFOQFGALUSBHTM-ZDUSSCGKSA-N 0 3 280.368 1.495 20 10 CDCDHN COc1cccc([C@H](C)NCC(=O)NC(C)C)c1O ZINC000846135142 710020016 /nfs/dbraw/zinc/02/00/16/710020016.db2.gz BPBKYZKVLXFBAH-JTQLQIEISA-N 0 3 266.341 1.576 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)[C@H](O)CO2 ZINC000853577706 710074431 /nfs/dbraw/zinc/07/44/31/710074431.db2.gz VENGJGFXRITEJC-GPCCPHFNSA-N 0 3 261.321 1.660 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)[C@H](O)CO2 ZINC000853577706 710074437 /nfs/dbraw/zinc/07/44/37/710074437.db2.gz VENGJGFXRITEJC-GPCCPHFNSA-N 0 3 261.321 1.660 20 10 CDCDHN CN(C)CCCS(=O)(=O)N(C)Cc1ccccc1O ZINC000866835260 710329083 /nfs/dbraw/zinc/32/90/83/710329083.db2.gz WNDSYQNWXTYZJV-UHFFFAOYSA-N 0 3 286.397 1.106 20 10 CDCDHN CC[C@@H](C(=O)NCc1ccc2cccnc2c1O)N(C)C ZINC000862027546 710363298 /nfs/dbraw/zinc/36/32/98/710363298.db2.gz WKNPYJAUDBTWCI-ZDUSSCGKSA-N 0 3 287.363 1.897 20 10 CDCDHN CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000134227416 710711755 /nfs/dbraw/zinc/71/17/55/710711755.db2.gz ZNEFHCICFLLDHB-ZDUSSCGKSA-N 0 3 253.342 1.515 20 10 CDCDHN COC[C@@H](CO)NCc1ccc2c(c1)CCCO2 ZINC000922081234 710861435 /nfs/dbraw/zinc/86/14/35/710861435.db2.gz KBMGVHSIFLNOKV-CYBMUJFWSA-N 0 3 251.326 1.109 20 10 CDCDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c([O-])c1 ZINC000886229741 711362171 /nfs/dbraw/zinc/36/21/71/711362171.db2.gz VFXURQLOBVLOCI-KBPBESRZSA-N 0 3 295.379 1.811 20 10 CDCDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000840825605 711505197 /nfs/dbraw/zinc/50/51/97/711505197.db2.gz YAGWUWOGRSEZBI-TUKIKUTGSA-N 0 3 264.369 1.817 20 10 CDCDHN C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000700793097 711662695 /nfs/dbraw/zinc/66/26/95/711662695.db2.gz PIVZUXBWIRRQLW-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN C[N@H+]1CCCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000700793097 711662698 /nfs/dbraw/zinc/66/26/98/711662698.db2.gz PIVZUXBWIRRQLW-NSHDSACASA-N 0 3 278.352 1.560 20 10 CDCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000825280001 711664137 /nfs/dbraw/zinc/66/41/37/711664137.db2.gz VYZPYBRZUIRDCK-CMPLNLGQSA-N 0 3 278.352 1.535 20 10 CDCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877345220 711681459 /nfs/dbraw/zinc/68/14/59/711681459.db2.gz YGIKGFZSVPCZMH-UKRRQHHQSA-N 0 3 265.353 1.984 20 10 CDCDHN COC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000794833460 711753361 /nfs/dbraw/zinc/75/33/61/711753361.db2.gz DSCRKWDPZLRXQX-QXEWZRGKSA-N 0 3 269.316 1.677 20 10 CDCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1O ZINC000783727855 711763723 /nfs/dbraw/zinc/76/37/23/711763723.db2.gz GPKQWXCAMHGGEN-AWEZNQCLSA-N 0 3 279.336 1.714 20 10 CDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])[C@H]1OC ZINC000877352444 711809760 /nfs/dbraw/zinc/80/97/60/711809760.db2.gz YHMPIDOPORHYFV-BPLDGKMQSA-N 0 3 265.353 1.983 20 10 CDCDHN COc1c([O-])c(CN2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843047410 711812119 /nfs/dbraw/zinc/81/21/19/711812119.db2.gz NZLVOGNPEHIJQM-UHFFFAOYSA-N 0 3 281.312 1.232 20 10 CDCDHN CNC(=O)[C@H](CCSC)NCc1ccc(N(C)C)cc1 ZINC000808437687 711825571 /nfs/dbraw/zinc/82/55/71/711825571.db2.gz USVPDAYUIVZBGC-AWEZNQCLSA-N 0 3 295.452 1.710 20 10 CDCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000183614240 711826909 /nfs/dbraw/zinc/82/69/09/711826909.db2.gz AEZPWROXGRCVSV-WDEREUQCSA-N 0 3 260.337 1.806 20 10 CDCDHN C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794672463 711829065 /nfs/dbraw/zinc/82/90/65/711829065.db2.gz LAHJRNSLYOHTBY-GDBMZVCRSA-N 0 3 293.363 1.555 20 10 CDCDHN C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794672463 711829067 /nfs/dbraw/zinc/82/90/67/711829067.db2.gz LAHJRNSLYOHTBY-GDBMZVCRSA-N 0 3 293.363 1.555 20 10 CDCDHN Cc1ccc(C[NH2+]CCCO[C@H]2CCOC2)c([O-])c1 ZINC000877086764 1165972114 /nfs/dbraw/zinc/97/21/14/1165972114.db2.gz AKAPUYBZPPAFPK-AWEZNQCLSA-N 0 3 265.353 1.986 20 10 CDCDHN [O-]c1ccc(F)cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140056162 894768534 /nfs/dbraw/zinc/76/85/34/894768534.db2.gz KCHJEKGDSYGXDP-OAHLLOKOSA-N 0 3 294.370 1.828 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c(OC)c1 ZINC001141032102 899348359 /nfs/dbraw/zinc/34/83/59/899348359.db2.gz SEGRUVIRUYZJJH-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c(OC)c1 ZINC001141032102 899348368 /nfs/dbraw/zinc/34/83/68/899348368.db2.gz SEGRUVIRUYZJJH-LLVKDONJSA-N 0 3 281.352 1.756 20 10 CDCDHN Cc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c([O-])cc1Br ZINC001236289819 914883812 /nfs/dbraw/zinc/88/38/12/914883812.db2.gz IYAWIDHTKWZICG-JQWIXIFHSA-N 0 3 297.196 1.867 20 10 CDCDHN CN1CCC[C@H](NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155899 917696390 /nfs/dbraw/zinc/69/63/90/917696390.db2.gz VIAKNGXZDUYYIO-LBPRGKRZSA-N 0 3 278.352 1.241 20 10 CDCDHN CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1[O-] ZINC001138130846 936476594 /nfs/dbraw/zinc/47/65/94/936476594.db2.gz JJASABVXVNPDAG-RYUDHWBXSA-N 0 3 250.317 1.810 20 10 CDCDHN CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1[O-] ZINC001138130846 936476596 /nfs/dbraw/zinc/47/65/96/936476596.db2.gz JJASABVXVNPDAG-RYUDHWBXSA-N 0 3 250.317 1.810 20 10 CDCDHN CC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055087 936674586 /nfs/dbraw/zinc/67/45/86/936674586.db2.gz HTCLXILCLQNRNT-UHFFFAOYSA-N 0 3 280.343 1.974 20 10 CDCDHN CC(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055087 936674587 /nfs/dbraw/zinc/67/45/87/936674587.db2.gz HTCLXILCLQNRNT-UHFFFAOYSA-N 0 3 280.343 1.974 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060132 936675816 /nfs/dbraw/zinc/67/58/16/936675816.db2.gz LXCYQURGOQHDCO-ZDUSSCGKSA-N 0 3 266.316 1.584 20 10 CDCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060132 936675817 /nfs/dbraw/zinc/67/58/17/936675817.db2.gz LXCYQURGOQHDCO-ZDUSSCGKSA-N 0 3 266.316 1.584 20 10 CDCDHN CCN1CCN(c2ccc(CN3CC(OC)C3)cc2)CC1 ZINC001140299631 936699158 /nfs/dbraw/zinc/69/91/58/936699158.db2.gz CNKZBHDMPWQAJG-UHFFFAOYSA-N 0 3 289.423 1.659 20 10 CDCDHN Cc1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001140951076 936783480 /nfs/dbraw/zinc/78/34/80/936783480.db2.gz XTWXJGHOFZRVGE-AWEZNQCLSA-N 0 3 276.380 1.606 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(OC)c1 ZINC001141031338 936794744 /nfs/dbraw/zinc/79/47/44/936794744.db2.gz DJBQTEUNKJNIIE-CHWSQXEVSA-N 0 3 299.342 1.704 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c(OC)c1 ZINC001141031338 936794745 /nfs/dbraw/zinc/79/47/45/936794745.db2.gz DJBQTEUNKJNIIE-CHWSQXEVSA-N 0 3 299.342 1.704 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@H](O)C2)c(OC)c1 ZINC001141026162 936794422 /nfs/dbraw/zinc/79/44/22/936794422.db2.gz GRDQKHIFDVPOAK-JTQLQIEISA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC001141026162 936794425 /nfs/dbraw/zinc/79/44/25/936794425.db2.gz GRDQKHIFDVPOAK-JTQLQIEISA-N 0 3 267.325 1.366 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC001141026162 936794428 /nfs/dbraw/zinc/79/44/28/936794428.db2.gz GRDQKHIFDVPOAK-JTQLQIEISA-N 0 3 267.325 1.366 20 10 CDCDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203878558 925151576 /nfs/dbraw/zinc/15/15/76/925151576.db2.gz CEQMDGZIGIKAQU-NSHDSACASA-N 0 3 265.309 1.625 20 10 CDCDHN CN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285565 925744867 /nfs/dbraw/zinc/74/48/67/925744867.db2.gz SETBSWTWMWMEEZ-OAHLLOKOSA-N 0 3 278.327 1.586 20 10 CDCDHN CN1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285565 925744869 /nfs/dbraw/zinc/74/48/69/925744869.db2.gz SETBSWTWMWMEEZ-OAHLLOKOSA-N 0 3 278.327 1.586 20 10 CDCDHN NCc1ccc2c(n1)N(c1nccc3c1NC(=O)C3)CCC2 ZINC001169583307 928232832 /nfs/dbraw/zinc/23/28/32/928232832.db2.gz BBMTYAMXVZNUMO-UHFFFAOYSA-N 0 3 295.346 1.514 20 10 CDCDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001116770505 937470845 /nfs/dbraw/zinc/47/08/45/937470845.db2.gz GCTHBYBXNGEXDD-VXGBXAGGSA-N 0 3 267.300 1.963 20 10 CDCDHN NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278254598 945214571 /nfs/dbraw/zinc/21/45/71/945214571.db2.gz AUBIMUIEHKFIIV-LBPRGKRZSA-N 0 3 278.327 1.619 20 10 CDCDHN COc1cccc(N)c1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650544 939298670 /nfs/dbraw/zinc/29/86/70/939298670.db2.gz RRLFZRPMIGCULR-GOEBONIOSA-N 0 3 291.395 1.991 20 10 CDCDHN CCOc1cccc(CN2CC[C@H](F)[C@H](O)C2)c1O ZINC001203602411 939695373 /nfs/dbraw/zinc/69/53/73/939695373.db2.gz VKPXYWGMBILLJB-NWDGAFQWSA-N 0 3 269.316 1.696 20 10 CDCDHN CCOc1cccc(CN2CC(N(C)C)C2)c1O ZINC001203602330 939696292 /nfs/dbraw/zinc/69/62/92/939696292.db2.gz PIGGTPQOAOMEIC-UHFFFAOYSA-N 0 3 250.342 1.537 20 10 CDCDHN CCOc1cccc(CN2CC3(CN(C)C3)C2)c1O ZINC001203617340 939696414 /nfs/dbraw/zinc/69/64/14/939696414.db2.gz NZSYFURHRWKNOH-UHFFFAOYSA-N 0 3 262.353 1.538 20 10 CDCDHN Oc1ccc(CN2CCC(N3CCOCC3)CC2)cc1O ZINC001203874346 939709750 /nfs/dbraw/zinc/70/97/50/939709750.db2.gz UNQYEDOOPOJBBD-UHFFFAOYSA-N 0 3 292.379 1.394 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@@H](O)[C@@](C)(CO)C2)cc1 ZINC001203931470 939714764 /nfs/dbraw/zinc/71/47/64/939714764.db2.gz QTJATRNDBXJNDV-HZPDHXFCSA-N 0 3 278.396 1.318 20 10 CDCDHN C[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204275854 939749683 /nfs/dbraw/zinc/74/96/83/939749683.db2.gz CXHOQMNWYUUMKG-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN C[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204275854 939749686 /nfs/dbraw/zinc/74/96/86/939749686.db2.gz CXHOQMNWYUUMKG-GXFFZTMASA-N 0 3 251.326 1.691 20 10 CDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328561 939756210 /nfs/dbraw/zinc/75/62/10/939756210.db2.gz JINOYWXKHZQEME-MRXNPFEDSA-N 0 3 287.407 1.997 20 10 CDCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303543 943822950 /nfs/dbraw/zinc/82/29/50/943822950.db2.gz ACMXVNCVGDJXQZ-BBRMVZONSA-N 0 3 291.395 1.418 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001237050682 944645715 /nfs/dbraw/zinc/64/57/15/944645715.db2.gz UILBWMLKKGZNRZ-HZPDHXFCSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001237050682 944645725 /nfs/dbraw/zinc/64/57/25/944645725.db2.gz UILBWMLKKGZNRZ-HZPDHXFCSA-N 0 3 295.379 1.356 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001238060711 945045988 /nfs/dbraw/zinc/04/59/88/945045988.db2.gz IDSFXLUQXPPNBN-INIZCTEOSA-N 0 3 292.354 1.942 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001238060711 945046000 /nfs/dbraw/zinc/04/60/00/945046000.db2.gz IDSFXLUQXPPNBN-INIZCTEOSA-N 0 3 292.354 1.942 20 10 CDCDHN O=C1C[C@@H]2CC([NH2+]Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001254923168 947654824 /nfs/dbraw/zinc/65/48/24/947654824.db2.gz BGNWYELXLABSMP-QWRGUYRKSA-N 0 3 261.321 1.945 20 10 CDCDHN COc1cc(C)c(C[NH2+]CC2(N(C)C)CC2)c([O-])c1 ZINC001308825674 956585586 /nfs/dbraw/zinc/58/55/86/956585586.db2.gz RVERTIMXIFCECC-UHFFFAOYSA-N 0 3 264.369 1.893 20 10 CDCDHN C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001341122009 963283476 /nfs/dbraw/zinc/28/34/76/963283476.db2.gz ALIIFUNQUDVKBJ-RQVXFDJMSA-N 0 3 278.327 1.559 20 10 CDCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1[O-] ZINC001578797900 1172012241 /nfs/dbraw/zinc/01/22/41/1172012241.db2.gz UKQAZFCEZJJMMN-LBPRGKRZSA-N 0 3 298.770 1.383 20 10 CDCDHN CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccccc1[O-] ZINC000036781519 356883467 /nfs/dbraw/zinc/88/34/67/356883467.db2.gz LTLYNFMNPCXMHQ-LBPRGKRZSA-N 0 3 250.342 1.958 20 10 CDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000180014656 357236904 /nfs/dbraw/zinc/23/69/04/357236904.db2.gz YRUWJAWYDKGWHS-GFCCVEGCSA-N 0 3 293.363 1.986 20 10 CDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000180014656 357236908 /nfs/dbraw/zinc/23/69/08/357236908.db2.gz YRUWJAWYDKGWHS-GFCCVEGCSA-N 0 3 293.363 1.986 20 10 CDCDHN O=C(NCCC[NH+]1CCCCC1)c1cccc(O)c1[O-] ZINC000192898615 358247699 /nfs/dbraw/zinc/24/76/99/358247699.db2.gz RVEFOBZEPMODQN-UHFFFAOYSA-N 0 3 278.352 1.704 20 10 CDCDHN CSCC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130987482 358321166 /nfs/dbraw/zinc/32/11/66/358321166.db2.gz WXNYDFDCLBHCHV-CQSZACIVSA-N 0 3 295.452 1.791 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000091986938 358534387 /nfs/dbraw/zinc/53/43/87/358534387.db2.gz IXMQTGNSTMSYEK-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000091986938 358534395 /nfs/dbraw/zinc/53/43/95/358534395.db2.gz IXMQTGNSTMSYEK-LLVKDONJSA-N 0 3 251.326 1.942 20 10 CDCDHN COc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CC2)c1 ZINC000280917302 363677516 /nfs/dbraw/zinc/67/75/16/363677516.db2.gz HAMVCUHWIREYCE-JTQLQIEISA-N 0 3 299.392 1.629 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281748556 363837129 /nfs/dbraw/zinc/83/71/29/363837129.db2.gz HPKQOBNTSISLGW-LJQANCHMSA-N 0 3 283.393 1.792 20 10 CDCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167860906 364952901 /nfs/dbraw/zinc/95/29/01/364952901.db2.gz PKYSVOSWZJHZBO-CYBMUJFWSA-N 0 3 275.396 1.886 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c1 ZINC000271377538 364981500 /nfs/dbraw/zinc/98/15/00/364981500.db2.gz RBOIQEVTBPTTIP-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)c1 ZINC000271377538 364981505 /nfs/dbraw/zinc/98/15/05/364981505.db2.gz RBOIQEVTBPTTIP-XHDPSFHLSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000179887378 364998964 /nfs/dbraw/zinc/99/89/64/364998964.db2.gz MZMOOEWVPCBUKZ-QMMMGPOBSA-N 0 3 276.258 1.721 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271828032 365001271 /nfs/dbraw/zinc/00/12/71/365001271.db2.gz OHOUSUNVVNVJRG-HNNXBMFYSA-N 0 3 299.367 1.287 20 10 CDCDHN CN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000272366489 365207624 /nfs/dbraw/zinc/20/76/24/365207624.db2.gz CUXZGJIJNUPMQG-XVNBXDOJSA-N 0 3 276.336 1.321 20 10 CDCDHN CC[C@@H](N[C@@H](CO)COC)c1ccc(N(C)C)cc1 ZINC000281159364 367596923 /nfs/dbraw/zinc/59/69/23/367596923.db2.gz PBAKJNCROYIWDF-DZGCQCFKSA-N 0 3 266.385 1.801 20 10 CDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281263335 367614540 /nfs/dbraw/zinc/61/45/40/367614540.db2.gz NJLQLPUVCZIYSN-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281263335 367614544 /nfs/dbraw/zinc/61/45/44/367614544.db2.gz NJLQLPUVCZIYSN-OLZOCXBDSA-N 0 3 276.336 1.631 20 10 CDCDHN CCN(CC)c1ccc(CN(CCO)CCCO)cc1 ZINC000093324174 390901711 /nfs/dbraw/zinc/90/17/11/390901711.db2.gz IQZXEARSUHLWSZ-UHFFFAOYSA-N 0 3 280.412 1.710 20 10 CDCDHN COCC1(O)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271172104 391290915 /nfs/dbraw/zinc/29/09/15/391290915.db2.gz ICXABMDTZSGDSZ-UHFFFAOYSA-N 0 3 278.396 1.726 20 10 CDCDHN Oc1ccccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000361053449 391678989 /nfs/dbraw/zinc/67/89/89/391678989.db2.gz RKPNMZZNCDQSKM-GOEBONIOSA-N 0 3 276.380 1.423 20 10 CDCDHN COC[C@H](CNCc1ccc(OC)c(C)c1)OC ZINC000227708124 392044530 /nfs/dbraw/zinc/04/45/30/392044530.db2.gz LSOCNADXCUCPAD-ZDUSSCGKSA-N 0 3 253.342 1.755 20 10 CDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273364273 286339198 /nfs/dbraw/zinc/33/91/98/286339198.db2.gz BBQTUSFAZCXCEH-MNOVXSKESA-N 0 3 276.340 1.732 20 10 CDCDHN C[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000157311785 261144456 /nfs/dbraw/zinc/14/44/56/261144456.db2.gz OTJPBFAIXCMAKA-YPMHNXCESA-N 0 3 278.352 1.247 20 10 CDCDHN CC(C)N(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000159135980 261179664 /nfs/dbraw/zinc/17/96/64/261179664.db2.gz DGDWMQWIEJYODM-UHFFFAOYSA-N 0 3 252.314 1.054 20 10 CDCDHN Cc1ccc([O-])c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159823202 261195042 /nfs/dbraw/zinc/19/50/42/261195042.db2.gz JTJUWGJCRBPBTR-UHFFFAOYSA-N 0 3 262.353 1.788 20 10 CDCDHN CCOc1cccc(CN[C@@]2(CO)CCOC2)c1O ZINC000184190284 262272110 /nfs/dbraw/zinc/27/21/10/262272110.db2.gz AKEZPFXIMGSHQO-CQSZACIVSA-N 0 3 267.325 1.032 20 10 CDCDHN C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818272 263009092 /nfs/dbraw/zinc/00/90/92/263009092.db2.gz FJGPBZRYVXKKNR-GXFFZTMASA-N 0 3 261.325 1.510 20 10 CDCDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)cc1 ZINC000271595514 279316753 /nfs/dbraw/zinc/31/67/53/279316753.db2.gz GXUFQWHRVAXMKL-OAHLLOKOSA-N 0 3 291.439 1.905 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000226607672 333266013 /nfs/dbraw/zinc/26/60/13/333266013.db2.gz OOWAKBVNYSEMQF-KGLIPLIRSA-N 0 3 280.343 1.484 20 10 CDCDHN CN1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272386876 1161083639 /nfs/dbraw/zinc/08/36/39/1161083639.db2.gz PELMNUGXLCZGIB-OAHLLOKOSA-N 0 3 276.336 1.295 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1[O-] ZINC000530227800 517774384 /nfs/dbraw/zinc/77/43/84/517774384.db2.gz VWEMXEUIVAHANG-DGCLKSJQSA-N 0 3 250.342 1.421 20 10 CDCDHN CC(C)[C@@](C)(NCc1ccc(N(C)C)cc1)C(N)=O ZINC000297727452 519808008 /nfs/dbraw/zinc/80/80/08/519808008.db2.gz SEPBRRWNVOUEBA-OAHLLOKOSA-N 0 3 263.385 1.742 20 10 CDCDHN CCOc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280346591 521364271 /nfs/dbraw/zinc/36/42/71/521364271.db2.gz RXVZSJPUMVPPRC-ZIAGYGMSSA-N 0 3 295.379 1.526 20 10 CDCDHN CCN1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](C)C1 ZINC000289643566 521687857 /nfs/dbraw/zinc/68/78/57/521687857.db2.gz MKHVCQFNICJFFL-LBPRGKRZSA-N 0 3 294.395 1.935 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000293022978 523385491 /nfs/dbraw/zinc/38/54/91/523385491.db2.gz VNAUUKBYCDWQMV-NSHDSACASA-N 0 3 293.285 1.764 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000293022978 523385500 /nfs/dbraw/zinc/38/55/00/523385500.db2.gz VNAUUKBYCDWQMV-NSHDSACASA-N 0 3 293.285 1.764 20 10 CDCDHN COc1ccc(CN[C@H]2COC[C@@H]2OC)cc1C ZINC000289812510 524094092 /nfs/dbraw/zinc/09/40/92/524094092.db2.gz NEFKPJFHJHWPSA-JSGCOSHPSA-N 0 3 251.326 1.507 20 10 CDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000093899533 524094206 /nfs/dbraw/zinc/09/42/06/524094206.db2.gz PXOZMAMVSANRDL-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000093899533 524094214 /nfs/dbraw/zinc/09/42/14/524094214.db2.gz PXOZMAMVSANRDL-LLVKDONJSA-N 0 3 250.342 1.515 20 10 CDCDHN Cc1cccc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000276050869 524380973 /nfs/dbraw/zinc/38/09/73/524380973.db2.gz UJJVMMHWYZSFPY-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cccc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000276050869 524380983 /nfs/dbraw/zinc/38/09/83/524380983.db2.gz UJJVMMHWYZSFPY-UHFFFAOYSA-N 0 3 265.353 1.674 20 10 CDCDHN Cc1cc(O)c(CNCCS(=O)(=O)C(C)C)cc1C ZINC000290095747 525323758 /nfs/dbraw/zinc/32/37/58/525323758.db2.gz HKUILMCMULRZOP-UHFFFAOYSA-N 0 3 285.409 1.922 20 10 CDCDHN CS[C@@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000128174692 525808802 /nfs/dbraw/zinc/80/88/02/525808802.db2.gz LVSBGMSEPBNFAM-QMMMGPOBSA-N 0 3 255.339 1.962 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccncc1)OCO2 ZINC000042880185 526336299 /nfs/dbraw/zinc/33/62/99/526336299.db2.gz LIBQXTJGZCIATJ-UHFFFAOYSA-N 0 3 272.304 1.848 20 10 CDCDHN CC[N@H+](CCNC(=O)c1cc([O-])cs1)C(C)C ZINC000732283106 575086721 /nfs/dbraw/zinc/08/67/21/575086721.db2.gz XUEXVTOLTBYGPN-UHFFFAOYSA-N 0 3 256.371 1.914 20 10 CDCDHN CC[N@@H+](CCNC(=O)c1cc([O-])cs1)C(C)C ZINC000732283106 575086722 /nfs/dbraw/zinc/08/67/22/575086722.db2.gz XUEXVTOLTBYGPN-UHFFFAOYSA-N 0 3 256.371 1.914 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@H](O)C2CC2)c([O-])c1 ZINC000734844603 575386809 /nfs/dbraw/zinc/38/68/09/575386809.db2.gz QKPRTKRKIUWCRR-CQSZACIVSA-N 0 3 251.326 1.651 20 10 CDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c([O-])c1 ZINC000768216957 576265154 /nfs/dbraw/zinc/26/51/54/576265154.db2.gz KDUNEEUFJKTBID-UHFFFAOYSA-N 0 3 292.379 1.749 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446214 576284241 /nfs/dbraw/zinc/28/42/41/576284241.db2.gz LCXPKFKSIRWELT-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446214 576284242 /nfs/dbraw/zinc/28/42/42/576284242.db2.gz LCXPKFKSIRWELT-IINYFYTJSA-N 0 3 279.336 1.286 20 10 CDCDHN CN(C)CCOc1ccc(N(C)Cc2ccnn2C)cc1 ZINC000761221261 576561031 /nfs/dbraw/zinc/56/10/31/576561031.db2.gz CTYHPIATJRYDFE-UHFFFAOYSA-N 0 3 288.395 1.997 20 10 CDCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000761222487 576561340 /nfs/dbraw/zinc/56/13/40/576561340.db2.gz JMTCSJRTPRTJQD-KBPBESRZSA-N 0 3 265.353 1.984 20 10 CDCDHN CO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254956 617391673 /nfs/dbraw/zinc/39/16/73/617391673.db2.gz KUMTWZRNRZJUSZ-SWLSCSKDSA-N 0 3 293.411 1.506 20 10 CDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895324456 619560973 /nfs/dbraw/zinc/56/09/73/619560973.db2.gz KSTZPWGPKFIVHX-JSGCOSHPSA-N 0 3 251.326 1.018 20 10 CDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c([O-])c1 ZINC000895324456 619560977 /nfs/dbraw/zinc/56/09/77/619560977.db2.gz KSTZPWGPKFIVHX-JSGCOSHPSA-N 0 3 251.326 1.018 20 10 CDCDHN COCC1CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895976020 619923200 /nfs/dbraw/zinc/92/32/00/619923200.db2.gz KGYCKQHEUOKZQO-UHFFFAOYSA-N 0 3 267.325 1.488 20 10 CDCDHN CC[C@@H](CO)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929820375 631444557 /nfs/dbraw/zinc/44/45/57/631444557.db2.gz CVLUVJIVEMBPIE-LBPRGKRZSA-N 0 3 282.359 1.727 20 10 CDCDHN COc1ccc(CN2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000122769109 1175243987 /nfs/dbraw/zinc/24/39/87/1175243987.db2.gz IHEQYHUXVGIKBU-ZDUSSCGKSA-N 0 3 278.352 1.453 20 10 CDCDHN CN(CC(=O)NCc1ccccc1O)CC(C)(C)C ZINC000821056242 711850630 /nfs/dbraw/zinc/85/06/30/711850630.db2.gz VMMCIBLSGYAUKI-UHFFFAOYSA-N 0 3 264.369 1.986 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1[O-] ZINC000879649262 711895996 /nfs/dbraw/zinc/89/59/96/711895996.db2.gz OOJDXXJOFOUOCT-VXGBXAGGSA-N 0 3 261.325 1.300 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccccc1[O-] ZINC000382563267 711911065 /nfs/dbraw/zinc/91/10/65/711911065.db2.gz MQXHDOJWDCUFOA-TZMCWYRMSA-N 0 3 253.342 1.830 20 10 CDCDHN CCc1cccc(CNC2(C(=O)NCCOC)CC2)c1O ZINC000848916602 711934077 /nfs/dbraw/zinc/93/40/77/711934077.db2.gz KMEPUQXHNGAYJC-UHFFFAOYSA-N 0 3 292.379 1.339 20 10 CDCDHN Cc1ccc(O)c(CNC(=O)CN(C)C(C)C)c1 ZINC000862758905 711954525 /nfs/dbraw/zinc/95/45/25/711954525.db2.gz QDUXVVZMDNSFKK-UHFFFAOYSA-N 0 3 250.342 1.657 20 10 CDCDHN CCOC1CC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808213546 711973164 /nfs/dbraw/zinc/97/31/64/711973164.db2.gz MVCQJGJBQBZPQH-QOZQQMKHSA-N 0 3 293.363 1.817 20 10 CDCDHN CCOC1CC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808213546 711973167 /nfs/dbraw/zinc/97/31/67/711973167.db2.gz MVCQJGJBQBZPQH-QOZQQMKHSA-N 0 3 293.363 1.817 20 10 CDCDHN C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000819923193 711991669 /nfs/dbraw/zinc/99/16/69/711991669.db2.gz WYOLFXQWVZBJSC-LLVKDONJSA-N 0 3 292.379 1.900 20 10 CDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824563997 712131786 /nfs/dbraw/zinc/13/17/86/712131786.db2.gz FDIKVFKMPJXERU-AWEZNQCLSA-N 0 3 282.359 1.468 20 10 CDCDHN COC(=O)[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179586434 712160021 /nfs/dbraw/zinc/16/00/21/712160021.db2.gz UFRHZZXVMWHFOL-CQSZACIVSA-N 0 3 279.336 1.138 20 10 CDCDHN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775130604 712218192 /nfs/dbraw/zinc/21/81/92/712218192.db2.gz MQBKHMUXZRLLCG-QWHCGFSZSA-N 0 3 283.368 1.457 20 10 CDCDHN COc1ccc(O)c(CN[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000392362338 712289827 /nfs/dbraw/zinc/28/98/27/712289827.db2.gz CPPSJSJKROAHMD-QMMMGPOBSA-N 0 3 262.313 1.678 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000817412270 712380609 /nfs/dbraw/zinc/38/06/09/712380609.db2.gz HMOXKOWUZKHURU-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000817412270 712380611 /nfs/dbraw/zinc/38/06/11/712380611.db2.gz HMOXKOWUZKHURU-RYUDHWBXSA-N 0 3 265.353 1.851 20 10 CDCDHN CCOc1ccc(C[NH2+]CC2(C(=O)OC)CC2)c([O-])c1 ZINC000777222809 712420304 /nfs/dbraw/zinc/42/03/04/712420304.db2.gz SWQGERUVGBQSDP-UHFFFAOYSA-N 0 3 279.336 1.834 20 10 CDCDHN COc1ccc(O)c(CNCc2cnc3n2CCC3)c1 ZINC000719851881 712435187 /nfs/dbraw/zinc/43/51/87/712435187.db2.gz PESLSFXLKJABFU-UHFFFAOYSA-N 0 3 273.336 1.833 20 10 CDCDHN CC(=O)c1cc(F)cc(Cn2cc([C@H](C)N)nn2)c1O ZINC000880995958 712449471 /nfs/dbraw/zinc/44/94/71/712449471.db2.gz JUOSHAGHFZVSAR-ZETCQYMHSA-N 0 3 278.287 1.393 20 10 CDCDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834903913 712461439 /nfs/dbraw/zinc/46/14/39/712461439.db2.gz LJBSXDOYOOYIIW-OUCADQQQSA-N 0 3 263.337 1.773 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775137040 712682796 /nfs/dbraw/zinc/68/27/96/712682796.db2.gz QOYDMRARHJJPFB-WCQYABFASA-N 0 3 265.353 1.830 20 10 CDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000877629561 712733717 /nfs/dbraw/zinc/73/37/17/712733717.db2.gz VRHYTCKAYJNADX-JSGCOSHPSA-N 0 3 274.364 1.801 20 10 CDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000877629561 712733719 /nfs/dbraw/zinc/73/37/19/712733719.db2.gz VRHYTCKAYJNADX-JSGCOSHPSA-N 0 3 274.364 1.801 20 10 CDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000780787246 712782221 /nfs/dbraw/zinc/78/22/21/712782221.db2.gz TWOHPQDKDGQOPD-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000780787246 712782222 /nfs/dbraw/zinc/78/22/22/712782222.db2.gz TWOHPQDKDGQOPD-QWRGUYRKSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1cccc([O-])c1C[NH+]1CCC(CO)(OC)CC1 ZINC000775203263 712782509 /nfs/dbraw/zinc/78/25/09/712782509.db2.gz BYNBUCVRZOCEGZ-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN O=C(Cc1c[nH]cn1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176831528 914290095 /nfs/dbraw/zinc/29/00/95/914290095.db2.gz VJWPGOHILVLXCC-UHFFFAOYSA-N 0 3 287.319 1.338 20 10 CDCDHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000323470483 909249458 /nfs/dbraw/zinc/24/94/58/909249458.db2.gz XLONPFJBMSXHSQ-GDLCADMTSA-N 0 3 250.342 1.163 20 10 CDCDHN CCS(=O)(=O)CCN[C@H](C)c1cc(OC)ccc1O ZINC000185330886 917888306 /nfs/dbraw/zinc/88/83/06/917888306.db2.gz XMQOYEOSJCBSJB-SNVBAGLBSA-N 0 3 287.381 1.486 20 10 CDCDHN COc1ccc(O)c(CN(C)C[C@@H]2COCCO2)c1 ZINC000827141792 936493212 /nfs/dbraw/zinc/49/32/12/936493212.db2.gz XRWNVVHSEMDVJV-CYBMUJFWSA-N 0 3 267.325 1.248 20 10 CDCDHN CCOc1ccc(C[NH2+]C2([C@H](C)O)CC2)c([O-])c1 ZINC000827579520 936600425 /nfs/dbraw/zinc/60/04/25/936600425.db2.gz FLKXTRPWOAYNDR-JTQLQIEISA-N 0 3 251.326 1.794 20 10 CDCDHN Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001140948139 936782550 /nfs/dbraw/zinc/78/25/50/936782550.db2.gz VHUJWHPOYDFOLQ-OLZOCXBDSA-N 0 3 253.317 1.995 20 10 CDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001140948139 936782552 /nfs/dbraw/zinc/78/25/52/936782552.db2.gz VHUJWHPOYDFOLQ-OLZOCXBDSA-N 0 3 253.317 1.995 20 10 CDCDHN COc1cc(O)c(CN2CCN(C(C)C)CC2)c(OC)c1 ZINC001141031968 936795507 /nfs/dbraw/zinc/79/55/07/936795507.db2.gz OSPNMKVDJHJQKW-UHFFFAOYSA-N 0 3 294.395 1.935 20 10 CDCDHN OC[C@]1(C(F)(F)F)CCN(Cc2cc(O)ccc2O)C1 ZINC001141156774 936821566 /nfs/dbraw/zinc/82/15/66/936821566.db2.gz URRIRJIRXQSXEK-LBPRGKRZSA-N 0 3 291.269 1.845 20 10 CDCDHN O=C1CCC[C@]2(CCCN(Cc3cc(O)ccc3O)C2)N1 ZINC001141159584 936822034 /nfs/dbraw/zinc/82/20/34/936822034.db2.gz HIUNQOMCMRNFTD-MRXNPFEDSA-N 0 3 290.363 1.733 20 10 CDCDHN CCS(=O)(=O)CCCNCc1ccc2c(c1)CCO2 ZINC000840973061 936970109 /nfs/dbraw/zinc/97/01/09/936970109.db2.gz DBDWORCZXFETKC-UHFFFAOYSA-N 0 3 283.393 1.536 20 10 CDCDHN CS[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1N(C)C ZINC000841295587 936991519 /nfs/dbraw/zinc/99/15/19/936991519.db2.gz CAZMWEQMHAUAJU-CHWSQXEVSA-N 0 3 294.424 1.778 20 10 CDCDHN C[C@H](O)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1 ZINC001120269339 925703665 /nfs/dbraw/zinc/70/36/65/925703665.db2.gz QEERJKOBGSJKPD-OLZOCXBDSA-N 0 3 263.385 1.156 20 10 CDCDHN COc1cc(O)c(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1OC ZINC000775986686 925749029 /nfs/dbraw/zinc/74/90/29/925749029.db2.gz RYAPJMKSKNWKML-RYUDHWBXSA-N 0 3 294.395 1.934 20 10 CDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1[O-] ZINC000843353597 937141312 /nfs/dbraw/zinc/14/13/12/937141312.db2.gz LSBZDDDXXVZQCL-OTYXRUKQSA-N 0 3 280.343 1.903 20 10 CDCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC001169326670 927957554 /nfs/dbraw/zinc/95/75/54/927957554.db2.gz MCTBEYLWYXXHSC-OCCSQVGLSA-N 0 3 279.336 1.593 20 10 CDCDHN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001169436165 928060338 /nfs/dbraw/zinc/06/03/38/928060338.db2.gz YWYUTRGICVTBIY-NSHDSACASA-N 0 3 280.368 1.834 20 10 CDCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)OC)c1 ZINC000858320564 928837497 /nfs/dbraw/zinc/83/74/97/928837497.db2.gz XQWNGCRBSZWRLR-JTQLQIEISA-N 0 3 282.340 1.289 20 10 CDCDHN COCCN(CCO)Cc1ccc(N2CCCC2)cc1 ZINC001116443664 937448868 /nfs/dbraw/zinc/44/88/68/937448868.db2.gz ADODYKVXXGBUBL-UHFFFAOYSA-N 0 3 278.396 1.728 20 10 CDCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1c([O-])cccc1F ZINC000886493495 930893115 /nfs/dbraw/zinc/89/31/15/930893115.db2.gz NWVLWQHSPMEABV-CYBMUJFWSA-N 0 3 295.402 1.819 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000824576164 931463381 /nfs/dbraw/zinc/46/33/81/931463381.db2.gz BNWSMXUKWWTBHX-NSHDSACASA-N 0 3 294.351 1.673 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CCF)c1[O-] ZINC000846096770 931970666 /nfs/dbraw/zinc/97/06/66/931970666.db2.gz BCCRYEVGTJLBJD-SNVBAGLBSA-N 0 3 277.723 1.864 20 10 CDCDHN CCN1C[C@H](C[NH2+]Cc2c([O-])cccc2OC)CC1=O ZINC000846092528 931971201 /nfs/dbraw/zinc/97/12/01/931971201.db2.gz FHVKDJDOJONSGR-NSHDSACASA-N 0 3 278.352 1.359 20 10 CDCDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000044563045 932634909 /nfs/dbraw/zinc/63/49/09/932634909.db2.gz KHCYMXAYQRMBGA-CQSZACIVSA-N 0 3 261.369 1.412 20 10 CDCDHN COc1cc(C)cc(CN[C@H](C)CS(C)(=O)=O)c1O ZINC001119510638 937727016 /nfs/dbraw/zinc/72/70/16/937727016.db2.gz VXOWUEXSNMQBMD-SNVBAGLBSA-N 0 3 287.381 1.232 20 10 CDCDHN CNC(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000779176636 934461884 /nfs/dbraw/zinc/46/18/84/934461884.db2.gz OHCALLKWKUSQGH-UHFFFAOYSA-N 0 3 266.316 1.680 20 10 CDCDHN CCc1cccc(CN(C)CCNC(C)=O)c1O ZINC000692108728 934462120 /nfs/dbraw/zinc/46/21/20/934462120.db2.gz IMYQXQYFZRPOQY-UHFFFAOYSA-N 0 3 250.342 1.523 20 10 CDCDHN COC[C@@H]1CN(Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551727 939692968 /nfs/dbraw/zinc/69/29/68/939692968.db2.gz LRDKDAKQYICCCI-AWEZNQCLSA-N 0 3 287.363 1.872 20 10 CDCDHN COc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001203621565 939697380 /nfs/dbraw/zinc/69/73/80/939697380.db2.gz XLSZJOYCKKRPQZ-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1ccc(C[N@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001203621565 939697381 /nfs/dbraw/zinc/69/73/81/939697381.db2.gz XLSZJOYCKKRPQZ-LBPRGKRZSA-N 0 3 251.326 1.748 20 10 CDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC12CC2 ZINC001203635389 939698935 /nfs/dbraw/zinc/69/89/35/939698935.db2.gz RYNPDLSLPIMOOC-ZDUSSCGKSA-N 0 3 291.347 1.786 20 10 CDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC12CC2 ZINC001203635389 939698936 /nfs/dbraw/zinc/69/89/36/939698936.db2.gz RYNPDLSLPIMOOC-ZDUSSCGKSA-N 0 3 291.347 1.786 20 10 CDCDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882517 939711653 /nfs/dbraw/zinc/71/16/53/939711653.db2.gz KDKNHRQVIORHDN-PWSUYJOCSA-N 0 3 279.336 1.729 20 10 CDCDHN [O-]c1ccc(F)c(F)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507096 941605569 /nfs/dbraw/zinc/60/55/69/941605569.db2.gz LMVORWVTJZXRHC-STQMWFEESA-N 0 3 297.349 1.196 20 10 CDCDHN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3C)c(OC)c1 ZINC001276993859 941787457 /nfs/dbraw/zinc/78/74/57/941787457.db2.gz GERBWXLFUKBUJN-TXEJJXNPSA-N 0 3 262.353 1.987 20 10 CDCDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441456 942578091 /nfs/dbraw/zinc/57/80/91/942578091.db2.gz KXFWZWJXQSSDMA-ZDUSSCGKSA-N 0 3 298.346 1.576 20 10 CDCDHN NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442518 942579831 /nfs/dbraw/zinc/57/98/31/942579831.db2.gz WTIHTNSBFHFQHG-CZUORRHYSA-N 0 3 274.364 1.870 20 10 CDCDHN NC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442518 942579832 /nfs/dbraw/zinc/57/98/32/942579832.db2.gz WTIHTNSBFHFQHG-CZUORRHYSA-N 0 3 274.364 1.870 20 10 CDCDHN COc1cc(N(C)C)ccc1CN(C)CCC(=O)N(C)C ZINC001231855588 943031668 /nfs/dbraw/zinc/03/16/68/943031668.db2.gz WOHFJPCDNWKSLY-UHFFFAOYSA-N 0 3 293.411 1.671 20 10 CDCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486138 943593917 /nfs/dbraw/zinc/59/39/17/943593917.db2.gz ZTQDCIRHEDBEPY-SNVBAGLBSA-N 0 3 295.335 1.579 20 10 CDCDHN [O-]c1ccc(F)c(Cl)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234994475 944002193 /nfs/dbraw/zinc/00/21/93/944002193.db2.gz XMOCERJQNZNIOA-AWEZNQCLSA-N 0 3 299.777 1.322 20 10 CDCDHN COc1cc([O-])c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001235168833 944077194 /nfs/dbraw/zinc/07/71/94/944077194.db2.gz GTAHCKLFWKVQPI-IINYFYTJSA-N 0 3 282.771 1.977 20 10 CDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001238070719 945051298 /nfs/dbraw/zinc/05/12/98/945051298.db2.gz OIEOMHQGBAEJML-GWCFXTLKSA-N 0 3 278.327 1.408 20 10 CDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001238070719 945051312 /nfs/dbraw/zinc/05/13/12/945051312.db2.gz OIEOMHQGBAEJML-GWCFXTLKSA-N 0 3 278.327 1.408 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249208426 949459709 /nfs/dbraw/zinc/45/97/09/949459709.db2.gz UDWFPVWMSWSLMF-RISCZKNCSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249208426 949459717 /nfs/dbraw/zinc/45/97/17/949459717.db2.gz UDWFPVWMSWSLMF-RISCZKNCSA-N 0 3 293.363 1.453 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001249207681 949459794 /nfs/dbraw/zinc/45/97/94/949459794.db2.gz GRJPOGLDELBCHB-DZGCQCFKSA-N 0 3 291.347 1.328 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001249207681 949459799 /nfs/dbraw/zinc/45/97/99/949459799.db2.gz GRJPOGLDELBCHB-DZGCQCFKSA-N 0 3 291.347 1.328 20 10 CDCDHN CCOC(=O)C[C@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC001253799486 952124262 /nfs/dbraw/zinc/12/42/62/952124262.db2.gz FXLMSYBOSRVRNN-HNNXBMFYSA-N 0 3 294.395 1.499 20 10 CDCDHN COc1cccc(O)c1CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001329513634 955960979 /nfs/dbraw/zinc/96/09/79/955960979.db2.gz HGONCLJLFGHXKU-PWSUYJOCSA-N 0 3 292.335 1.331 20 10 CDCDHN COC(=O)N1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC001308705072 956564715 /nfs/dbraw/zinc/56/47/15/956564715.db2.gz GJSPGDKLWSHWAL-UHFFFAOYSA-N 0 3 254.261 1.072 20 10 CDCDHN CCCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001333055039 958046480 /nfs/dbraw/zinc/04/64/80/958046480.db2.gz ZGDAQERIPNJENM-LLVKDONJSA-N 0 3 250.342 1.959 20 10 CDCDHN COc1ccc(CNCC(=O)NCC(C)C)c(O)c1OC ZINC001334170347 958902831 /nfs/dbraw/zinc/90/28/31/958902831.db2.gz ZSTUNQYLJCQTEQ-UHFFFAOYSA-N 0 3 296.367 1.271 20 10 CDCDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1OC ZINC001321868623 959995413 /nfs/dbraw/zinc/99/54/13/959995413.db2.gz SDUINWVGTLBBMX-JQWIXIFHSA-N 0 3 279.336 1.832 20 10 CDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N)cc1 ZINC001336290220 960289119 /nfs/dbraw/zinc/28/91/19/960289119.db2.gz KCUWQIFZBHBZCU-WDEREUQCSA-N 0 3 262.357 1.161 20 10 CDCDHN C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(F)ccc1[O-] ZINC001342388699 963728049 /nfs/dbraw/zinc/72/80/49/963728049.db2.gz BWWMTLVFJBWATF-GFCCVEGCSA-N 0 3 296.386 1.886 20 10 CDCDHN CCc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O ZINC000848912397 969350181 /nfs/dbraw/zinc/35/01/81/969350181.db2.gz QMPYTHAVHRNJQB-NSHDSACASA-N 0 3 262.353 1.665 20 10 CDCDHN COc1ccc(CNC(=[NH2+])NCC2CCC2)c([O-])c1 ZINC000849025242 969414293 /nfs/dbraw/zinc/41/42/93/969414293.db2.gz VPFFRTDHUFPSGN-UHFFFAOYSA-N 0 3 263.341 1.815 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000295120424 199355863 /nfs/dbraw/zinc/35/58/63/199355863.db2.gz WMSJPHAKWQMIQD-MRXNPFEDSA-N 0 3 293.363 1.712 20 10 CDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000295120424 199355865 /nfs/dbraw/zinc/35/58/65/199355865.db2.gz WMSJPHAKWQMIQD-MRXNPFEDSA-N 0 3 293.363 1.712 20 10 CDCDHN COCC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000283941887 362704560 /nfs/dbraw/zinc/70/45/60/362704560.db2.gz JRMJYFVDORABSN-UHFFFAOYSA-N 0 3 265.309 1.780 20 10 CDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C)cc1[O-] ZINC000295994406 199746942 /nfs/dbraw/zinc/74/69/42/199746942.db2.gz PVUAAFKAZJJYQO-YRGRVCCFSA-N 0 3 251.326 1.501 20 10 CDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000179773974 357223609 /nfs/dbraw/zinc/22/36/09/357223609.db2.gz NHAIIOYAYLIIHD-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000179773974 357223613 /nfs/dbraw/zinc/22/36/13/357223613.db2.gz NHAIIOYAYLIIHD-SNVBAGLBSA-N 0 3 267.325 1.642 20 10 CDCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCN(C)CC1 ZINC000185366061 357536480 /nfs/dbraw/zinc/53/64/80/357536480.db2.gz KUXINOKQIUPLFS-CHWSQXEVSA-N 0 3 295.402 1.818 20 10 CDCDHN Cc1cc(O)c(CN2CCN(C[C@@H](C)O)CC2)cc1C ZINC000188725142 357931113 /nfs/dbraw/zinc/93/11/13/357931113.db2.gz DEELMIRVPXKEFB-CQSZACIVSA-N 0 3 278.396 1.507 20 10 CDCDHN C[C@@H](CCCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294884328 199230427 /nfs/dbraw/zinc/23/04/27/199230427.db2.gz VVHMOVUTZQNYOJ-JTQLQIEISA-N 0 3 267.325 1.619 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CO)OCO2 ZINC000092471035 358550189 /nfs/dbraw/zinc/55/01/89/358550189.db2.gz GOKFCNBVTYUXQG-SNVBAGLBSA-N 0 3 251.282 1.078 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CO)OCO2 ZINC000092471035 358550193 /nfs/dbraw/zinc/55/01/93/358550193.db2.gz GOKFCNBVTYUXQG-SNVBAGLBSA-N 0 3 251.282 1.078 20 10 CDCDHN OC[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000092471035 358550196 /nfs/dbraw/zinc/55/01/96/358550196.db2.gz GOKFCNBVTYUXQG-SNVBAGLBSA-N 0 3 251.282 1.078 20 10 CDCDHN COc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1 ZINC000132899494 358585599 /nfs/dbraw/zinc/58/55/99/358585599.db2.gz SCHNNFLTPIZKFE-UHFFFAOYSA-N 0 3 266.341 1.344 20 10 CDCDHN CCOc1cccc(CN(CCO)C2CC2)c1O ZINC000271094154 364919386 /nfs/dbraw/zinc/91/93/86/364919386.db2.gz XVVCWSTZZDRPPK-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@H+](CCO)C2CC2)c1[O-] ZINC000271094154 364919390 /nfs/dbraw/zinc/91/93/90/364919390.db2.gz XVVCWSTZZDRPPK-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN CCOc1cccc(C[N@@H+](CCO)C2CC2)c1[O-] ZINC000271094154 364919396 /nfs/dbraw/zinc/91/93/96/364919396.db2.gz XVVCWSTZZDRPPK-UHFFFAOYSA-N 0 3 251.326 1.748 20 10 CDCDHN COc1cc([O-])c(C[NH2+][C@@]2(C)CCOC2)cc1OC ZINC000271802926 364999363 /nfs/dbraw/zinc/99/93/63/364999363.db2.gz JDRPCWCDUKYDGW-AWEZNQCLSA-N 0 3 267.325 1.678 20 10 CDCDHN COc1cc([N+](=O)[O-])c(N2CC(N(C)C)C2)cc1OC ZINC000271710412 364994555 /nfs/dbraw/zinc/99/45/55/364994555.db2.gz GPSQORHZEMETJS-UHFFFAOYSA-N 0 3 281.312 1.362 20 10 CDCDHN Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)c([O-])c1O ZINC000272703412 365357644 /nfs/dbraw/zinc/35/76/44/365357644.db2.gz ZNFFZNVSBUPMSP-UHFFFAOYSA-N 0 3 266.341 1.476 20 10 CDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1C ZINC000273578095 365508761 /nfs/dbraw/zinc/50/87/61/365508761.db2.gz MDVGDMLHNYJAIR-RYUDHWBXSA-N 0 3 262.353 1.890 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000273584275 365510787 /nfs/dbraw/zinc/51/07/87/365510787.db2.gz NIGJHMANOVRCLA-STQMWFEESA-N 0 3 294.395 1.772 20 10 CDCDHN CC(C)C(=O)NCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295950196 371402769 /nfs/dbraw/zinc/40/27/69/371402769.db2.gz LLORSJGAXTVDFU-LBPRGKRZSA-N 0 3 262.353 1.741 20 10 CDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCN1CCC(O)CC1)CC2 ZINC000295939453 378702684 /nfs/dbraw/zinc/70/26/84/378702684.db2.gz KVNHNMRMZMNGOT-OAHLLOKOSA-N 0 3 290.407 1.816 20 10 CDCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])C[NH+](C)C ZINC000293735603 390169120 /nfs/dbraw/zinc/16/91/20/390169120.db2.gz KZEMALQMYHHNPJ-VIFPVBQESA-N 0 3 252.314 1.025 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CC[C@@H](CO)CC1)OCO2 ZINC000151396672 390965649 /nfs/dbraw/zinc/96/56/49/390965649.db2.gz QEMQYTSBAUDZHE-UMSPYCQHSA-N 0 3 279.336 1.762 20 10 CDCDHN O=C1OCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000360671510 391668822 /nfs/dbraw/zinc/66/88/22/391668822.db2.gz LDBJSDMTVWQGCN-UHFFFAOYSA-N 0 3 261.321 1.921 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175263 391841116 /nfs/dbraw/zinc/84/11/16/391841116.db2.gz GRQLWPAIVKMYIJ-RYUDHWBXSA-N 0 3 291.347 1.979 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175263 391841118 /nfs/dbraw/zinc/84/11/18/391841118.db2.gz GRQLWPAIVKMYIJ-RYUDHWBXSA-N 0 3 291.347 1.979 20 10 CDCDHN C[C@@H](NC[C@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060941 174072727 /nfs/dbraw/zinc/07/27/27/174072727.db2.gz NUBZLKHHZJRSJY-DOMZBBRYSA-N 0 3 264.369 1.819 20 10 CDCDHN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-] ZINC000185214120 262046059 /nfs/dbraw/zinc/04/60/59/262046059.db2.gz HHHAYFLWPGMPNH-NSHDSACASA-N 0 3 250.342 1.944 20 10 CDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000186475796 262094812 /nfs/dbraw/zinc/09/48/12/262094812.db2.gz KGZJLFYJKCRWCB-GFCCVEGCSA-N 0 3 282.315 1.852 20 10 CDCDHN C[NH+](C)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000097933558 262577104 /nfs/dbraw/zinc/57/71/04/262577104.db2.gz FFSSBKCLDJXNCC-UHFFFAOYSA-N 0 3 264.325 1.312 20 10 CDCDHN Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)c([O-])c1O ZINC000272835963 263009130 /nfs/dbraw/zinc/00/91/30/263009130.db2.gz QPVUGHAYECMOOF-SECBINFHSA-N 0 3 252.314 1.086 20 10 CDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378452019 329050954 /nfs/dbraw/zinc/05/09/54/329050954.db2.gz FYQFHEABFRCLSC-CJNGLKHVSA-N 0 3 293.363 1.829 20 10 CDCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCOC3)C2)c1 ZINC000187530442 329358989 /nfs/dbraw/zinc/35/89/89/329358989.db2.gz RSVPWQSQLDHFSW-OAHLLOKOSA-N 0 3 263.337 1.692 20 10 CDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219065934 333141115 /nfs/dbraw/zinc/14/11/15/333141115.db2.gz QBGWZUNKOCMBLQ-SDBXPKJASA-N 0 3 285.365 1.323 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000228094426 333294811 /nfs/dbraw/zinc/29/48/11/333294811.db2.gz JRSQOWXFMCJNRA-YGRLFVJLSA-N 0 3 267.325 1.030 20 10 CDCDHN COC[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000211426110 1175782879 /nfs/dbraw/zinc/78/28/79/1175782879.db2.gz BINRXHMLYHWBHT-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN COC[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000211426110 1175782885 /nfs/dbraw/zinc/78/28/85/1175782885.db2.gz BINRXHMLYHWBHT-NSHDSACASA-N 0 3 251.326 1.869 20 10 CDCDHN CCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037262586 519880849 /nfs/dbraw/zinc/88/08/49/519880849.db2.gz BGRXDYRKCAXXBJ-GFCCVEGCSA-N 0 3 263.385 1.929 20 10 CDCDHN CCN(C)C(=O)[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000188894964 520200091 /nfs/dbraw/zinc/20/00/91/520200091.db2.gz UVBRJUOLVFZLDC-GFCCVEGCSA-N 0 3 264.369 1.965 20 10 CDCDHN CCNC(=O)[C@@H](NCc1ccc2c(c1)CCO2)C(C)C ZINC000293074181 521744491 /nfs/dbraw/zinc/74/44/91/521744491.db2.gz VSEGQEUXEGKIPK-HNNXBMFYSA-N 0 3 276.380 1.872 20 10 CDCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCC[C@H]1O ZINC000289602905 523186027 /nfs/dbraw/zinc/18/60/27/523186027.db2.gz KYLJBTCYCROMEW-GHMZBOCLSA-N 0 3 265.309 1.466 20 10 CDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCC[C@H]1O ZINC000289602905 523186030 /nfs/dbraw/zinc/18/60/30/523186030.db2.gz KYLJBTCYCROMEW-GHMZBOCLSA-N 0 3 265.309 1.466 20 10 CDCDHN CNC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000044988133 524069323 /nfs/dbraw/zinc/06/93/23/524069323.db2.gz AYQSROSFANPBOX-VIFPVBQESA-N 0 3 252.314 1.188 20 10 CDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/CN(C)C ZINC000274904595 524697138 /nfs/dbraw/zinc/69/71/38/524697138.db2.gz HCRPLOSEHWJTSE-SGUJLRQBSA-N 0 3 278.352 1.263 20 10 CDCDHN Cc1cc([O-])c(C[NH2+]CC2(O)CCOCC2)cc1C ZINC000266216184 525323918 /nfs/dbraw/zinc/32/39/18/525323918.db2.gz PUSZWWWDLAQUGQ-UHFFFAOYSA-N 0 3 265.353 1.640 20 10 CDCDHN Cc1ccc(O)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292791909 525340397 /nfs/dbraw/zinc/34/03/97/525340397.db2.gz MOEXMACMYSOAAL-CYBMUJFWSA-N 0 3 298.408 1.166 20 10 CDCDHN C[C@H](O)CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227962394 525714427 /nfs/dbraw/zinc/71/44/27/525714427.db2.gz FURGPIRSHVTTIM-VIFPVBQESA-N 0 3 253.298 1.372 20 10 CDCDHN COc1cccc(C[NH2+]CCc2nnc(C)s2)c1[O-] ZINC000289844587 526017178 /nfs/dbraw/zinc/01/71/78/526017178.db2.gz NKWDTHYXYRCQTF-UHFFFAOYSA-N 0 3 279.365 1.893 20 10 CDCDHN COc1cccc(CN[C@H]2CCCCNC2=O)c1O ZINC000036977256 526038051 /nfs/dbraw/zinc/03/80/51/526038051.db2.gz FIIYYZRJFMEKJK-NSHDSACASA-N 0 3 264.325 1.159 20 10 CDCDHN OCC[C@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000278500576 527573171 /nfs/dbraw/zinc/57/31/71/527573171.db2.gz NUDPOOMFZAIGHX-HNNXBMFYSA-N 0 3 263.337 1.253 20 10 CDCDHN CCN1CCC[C@H]1CNC(=S)NCc1cccn1C ZINC000743061906 574434125 /nfs/dbraw/zinc/43/41/25/574434125.db2.gz QITRVHLGVDZDAX-ZDUSSCGKSA-N 0 3 280.441 1.474 20 10 CDCDHN CCOc1ccc(O)c(CNCC(=O)N(CC)CC)c1 ZINC000725848156 574444234 /nfs/dbraw/zinc/44/42/34/574444234.db2.gz KTBOMQIRQQUFIR-UHFFFAOYSA-N 0 3 280.368 1.749 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCOC1 ZINC000733327641 575114757 /nfs/dbraw/zinc/11/47/57/575114757.db2.gz JZNHFTYKIOPXMA-CQSZACIVSA-N 0 3 251.326 1.917 20 10 CDCDHN CCOc1ccc(C[N@H+](CCO)CC2CC2)c([O-])c1 ZINC000769105882 575154128 /nfs/dbraw/zinc/15/41/28/575154128.db2.gz FKBHCFJVIKXECG-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(C[N@@H+](CCO)CC2CC2)c([O-])c1 ZINC000769105882 575154129 /nfs/dbraw/zinc/15/41/29/575154129.db2.gz FKBHCFJVIKXECG-UHFFFAOYSA-N 0 3 265.353 1.995 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)CSC)c([O-])c1 ZINC000738441054 576074660 /nfs/dbraw/zinc/07/46/60/576074660.db2.gz PWRPNZZJSSVEDK-CQSZACIVSA-N 0 3 285.409 1.995 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462079 576286487 /nfs/dbraw/zinc/28/64/87/576286487.db2.gz IVLLOPSHIPMIOK-NVBFEUDRSA-N 0 3 293.363 1.553 20 10 CDCDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462079 576286490 /nfs/dbraw/zinc/28/64/90/576286490.db2.gz IVLLOPSHIPMIOK-NVBFEUDRSA-N 0 3 293.363 1.553 20 10 CDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000747099131 576858552 /nfs/dbraw/zinc/85/85/52/576858552.db2.gz RPFJRBGXNWSOSS-GFCCVEGCSA-N 0 3 263.293 1.817 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2[O-] ZINC000756759871 577003173 /nfs/dbraw/zinc/00/31/73/577003173.db2.gz NCGIJUCAVGRDFD-MWLCHTKSSA-N 0 3 281.327 1.678 20 10 CDCDHN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000757658585 577048990 /nfs/dbraw/zinc/04/89/90/577048990.db2.gz HXRAJMWJFPNXNA-YGRLFVJLSA-N 0 3 283.343 1.969 20 10 CDCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCNC1=O ZINC000758401009 577105276 /nfs/dbraw/zinc/10/52/76/577105276.db2.gz PJRAPEUDMPKFBH-AWEZNQCLSA-N 0 3 270.332 1.866 20 10 CDCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCNC1=O ZINC000758401009 577105277 /nfs/dbraw/zinc/10/52/77/577105277.db2.gz PJRAPEUDMPKFBH-AWEZNQCLSA-N 0 3 270.332 1.866 20 10 CDCDHN COc1cc(O)c(CN[C@H](C)c2n[nH]c(C)n2)cc1OC ZINC000894771986 619047878 /nfs/dbraw/zinc/04/78/78/619047878.db2.gz CSEUKNSVSYLBIG-MRVPVSSYSA-N 0 3 292.339 1.687 20 10 CDCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c([O-])c1 ZINC000877082196 630609551 /nfs/dbraw/zinc/60/95/51/630609551.db2.gz NOVRRRAROXVVSI-ZDUSSCGKSA-N 0 3 253.367 1.658 20 10 CDCDHN COc1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC000126147455 1175438158 /nfs/dbraw/zinc/43/81/58/1175438158.db2.gz VOTVTMHFHGJXKH-UHFFFAOYSA-N 0 3 279.336 1.740 20 10 CDCDHN COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000701668425 1161509137 /nfs/dbraw/zinc/50/91/37/1161509137.db2.gz IVBDLDFBYGVLNO-VIFPVBQESA-N 0 3 270.304 1.880 20 10 CDCDHN Nc1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC001580445773 1172437964 /nfs/dbraw/zinc/43/79/64/1172437964.db2.gz VKJHCWCZELQXLD-OAHLLOKOSA-N 0 3 267.332 1.922 20 10 CDCDHN COc1ccc(CN2CCCN(C(C)=O)CC2)c(O)c1 ZINC000133286109 1175803837 /nfs/dbraw/zinc/80/38/37/1175803837.db2.gz AHOKLCILUXSLOB-UHFFFAOYSA-N 0 3 278.352 1.455 20 10 CDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)C ZINC001252680174 1164986946 /nfs/dbraw/zinc/98/69/46/1164986946.db2.gz PJDPWJRWWCCUJJ-CQSZACIVSA-N 0 3 267.369 2.000 20 10 CDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)C ZINC001252680174 1164986952 /nfs/dbraw/zinc/98/69/52/1164986952.db2.gz PJDPWJRWWCCUJJ-CQSZACIVSA-N 0 3 267.369 2.000 20 10 CDCDHN CCOC1CC(O)(C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877480382 1166046417 /nfs/dbraw/zinc/04/64/17/1166046417.db2.gz TUYNGUFBOBNMPS-UHFFFAOYSA-N 0 3 265.353 1.720 20 10 CDCDHN COc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC000399478436 896550862 /nfs/dbraw/zinc/55/08/62/896550862.db2.gz DHTIIIXSOMGZKL-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc(C[N@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC000399478436 896550877 /nfs/dbraw/zinc/55/08/77/896550877.db2.gz DHTIIIXSOMGZKL-LLVKDONJSA-N 0 3 251.326 1.869 20 10 CDCDHN COc1ccc(O)c(CNCc2c(C)cnn2C)c1 ZINC000394112761 898803134 /nfs/dbraw/zinc/80/31/34/898803134.db2.gz RTOOBWQTNMHBQF-UHFFFAOYSA-N 0 3 261.325 1.733 20 10 CDCDHN COC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097889 900983041 /nfs/dbraw/zinc/98/30/41/900983041.db2.gz UMMYZSOJDDFNMC-CYBMUJFWSA-N 0 3 265.357 1.711 20 10 CDCDHN CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000840825604 906401608 /nfs/dbraw/zinc/40/16/08/906401608.db2.gz YAGWUWOGRSEZBI-BYCMXARLSA-N 0 3 264.369 1.817 20 10 CDCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000697567085 908782682 /nfs/dbraw/zinc/78/26/82/908782682.db2.gz HJOIJCCCDUEDBA-ONGXEEELSA-N 0 3 269.366 1.402 20 10 CDCDHN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000322670500 908990188 /nfs/dbraw/zinc/99/01/88/908990188.db2.gz FRFMXVWCRQPXLR-QWRGUYRKSA-N 0 3 250.342 1.876 20 10 CDCDHN COc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236809485 916533693 /nfs/dbraw/zinc/53/36/93/916533693.db2.gz WGTNGTIZFKODQL-GHMZBOCLSA-N 0 3 251.326 1.664 20 10 CDCDHN COc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236809485 916533704 /nfs/dbraw/zinc/53/37/04/916533704.db2.gz WGTNGTIZFKODQL-GHMZBOCLSA-N 0 3 251.326 1.664 20 10 CDCDHN C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183565642 917459120 /nfs/dbraw/zinc/45/91/20/917459120.db2.gz ISSFAFQMLVUMDI-QWRGUYRKSA-N 0 3 271.382 1.866 20 10 CDCDHN Cc1cc([O-])c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530611 918006364 /nfs/dbraw/zinc/00/63/64/918006364.db2.gz MXNRHZDPJAJVFT-GWCFXTLKSA-N 0 3 270.760 1.105 20 10 CDCDHN CCOc1ccc(O)c(CN(C)C[C@@H]2COCCO2)c1 ZINC000827140320 936493109 /nfs/dbraw/zinc/49/31/09/936493109.db2.gz JZTVAVCRBARORY-CQSZACIVSA-N 0 3 281.352 1.638 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001203620645 919677442 /nfs/dbraw/zinc/67/74/42/919677442.db2.gz GTGZKHWXXJWAIA-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001203620645 919677449 /nfs/dbraw/zinc/67/74/49/919677449.db2.gz GTGZKHWXXJWAIA-YGRLFVJLSA-N 0 3 251.326 1.604 20 10 CDCDHN C[C@H]1COCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834566320 936693753 /nfs/dbraw/zinc/69/37/53/936693753.db2.gz JTMJIDFZIQWFNI-JSGCOSHPSA-N 0 3 276.380 1.690 20 10 CDCDHN C[NH+](C)C[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140341841 936703470 /nfs/dbraw/zinc/70/34/70/936703470.db2.gz JQLUPHNMDKVPMP-NSHDSACASA-N 0 3 284.787 1.808 20 10 CDCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC(=O)N1 ZINC000834907709 936709939 /nfs/dbraw/zinc/70/99/39/936709939.db2.gz AJOLTMVIWJCHJA-IAQYHMDHSA-N 0 3 260.337 1.638 20 10 CDCDHN CN1CCOc2cc(CN3CC[C@@H](O)[C@@H](F)CC3)ccc21 ZINC001141141374 936818684 /nfs/dbraw/zinc/81/86/84/936818684.db2.gz XTVXLWCGTLWOIM-DZGCQCFKSA-N 0 3 294.370 1.810 20 10 CDCDHN C[C@H](NCC1OCCO1)c1ccc(N(C)C)cc1 ZINC000775836058 925389849 /nfs/dbraw/zinc/38/98/49/925389849.db2.gz XXTVUDPTZVGUED-NSHDSACASA-N 0 3 250.342 1.776 20 10 CDCDHN CCc1nc(CNCc2cccc(CC)c2O)n[nH]1 ZINC000691439373 937217493 /nfs/dbraw/zinc/21/74/93/937217493.db2.gz YDKMMWAVJXYCLV-UHFFFAOYSA-N 0 3 260.341 1.925 20 10 CDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000776811614 928405411 /nfs/dbraw/zinc/40/54/11/928405411.db2.gz BGDXFKKIPGENAK-UKRRQHHQSA-N 0 3 281.352 1.302 20 10 CDCDHN CON(C)C(=O)[C@@H](C)NCc1cc(C)ccc1O ZINC000858325167 928840557 /nfs/dbraw/zinc/84/05/57/928840557.db2.gz OCFGCLUWBBYOPQ-SNVBAGLBSA-N 0 3 252.314 1.199 20 10 CDCDHN C[C@@H](CNCc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000697590635 937283956 /nfs/dbraw/zinc/28/39/56/937283956.db2.gz YSXWIPXAOJEZHI-LBPRGKRZSA-N 0 3 296.436 1.592 20 10 CDCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c([O-])c1 ZINC000858602426 928893984 /nfs/dbraw/zinc/89/39/84/928893984.db2.gz ZBQVFSRYWWYXPX-OLZOCXBDSA-N 0 3 264.369 1.418 20 10 CDCDHN CN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1F ZINC000862426793 929414730 /nfs/dbraw/zinc/41/47/30/929414730.db2.gz OQFLOQPUCHJCKK-HNNXBMFYSA-N 0 3 282.359 1.475 20 10 CDCDHN C[C@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132621501 930253734 /nfs/dbraw/zinc/25/37/34/930253734.db2.gz SQSAXGSSPIDUBF-ZANVPECISA-N 0 3 270.760 1.594 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000817966016 930653360 /nfs/dbraw/zinc/65/33/60/930653360.db2.gz ZEIGGCUPTBHOTR-ZANVPECISA-N 0 3 278.352 1.567 20 10 CDCDHN CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1[O-] ZINC000817982540 930657898 /nfs/dbraw/zinc/65/78/98/930657898.db2.gz DZMQYRSDBGJOEE-WCQYABFASA-N 0 3 250.342 1.421 20 10 CDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCO2)c2c1c(F)ccc2[O-] ZINC000817984166 930658420 /nfs/dbraw/zinc/65/84/20/930658420.db2.gz VQYLDTYLKMEVSN-CKYFFXLPSA-N 0 3 280.343 1.658 20 10 CDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1c([O-])cccc1F ZINC000886524335 930901302 /nfs/dbraw/zinc/90/13/02/930901302.db2.gz ISLXPONXEYVKGQ-NXEZZACHSA-N 0 3 256.321 1.104 20 10 CDCDHN CCN1C[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000846209718 931988273 /nfs/dbraw/zinc/98/82/73/931988273.db2.gz SMKXFTCBTJBBKZ-VXGBXAGGSA-N 0 3 262.353 1.911 20 10 CDCDHN COc1c([O-])c(CN2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702191 932116121 /nfs/dbraw/zinc/11/61/21/932116121.db2.gz GGRBYYJHYJWBIK-MWLCHTKSSA-N 0 3 295.339 1.621 20 10 CDCDHN O=C(c1cc([O-])cs1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118555759 937639568 /nfs/dbraw/zinc/63/95/68/937639568.db2.gz NVJAZIZFDAZPAG-SNVBAGLBSA-N 0 3 266.366 1.764 20 10 CDCDHN O=C(c1cc([O-])cs1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118555759 937639570 /nfs/dbraw/zinc/63/95/70/937639570.db2.gz NVJAZIZFDAZPAG-SNVBAGLBSA-N 0 3 266.366 1.764 20 10 CDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CF)C1)[C@H](O)CO2 ZINC001119331217 937710442 /nfs/dbraw/zinc/71/04/42/937710442.db2.gz MZLPWJHZRJHWOZ-TVQRCGJNSA-N 0 3 267.300 1.609 20 10 CDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CF)C1)[C@H](O)CO2 ZINC001119331217 937710444 /nfs/dbraw/zinc/71/04/44/937710444.db2.gz MZLPWJHZRJHWOZ-TVQRCGJNSA-N 0 3 267.300 1.609 20 10 CDCDHN COc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001203620416 939696694 /nfs/dbraw/zinc/69/66/94/939696694.db2.gz FBEQFMYXKKPFDE-WCQYABFASA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001203620416 939696695 /nfs/dbraw/zinc/69/66/95/939696695.db2.gz FBEQFMYXKKPFDE-WCQYABFASA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(CN2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001203620416 939696697 /nfs/dbraw/zinc/69/66/97/939696697.db2.gz FBEQFMYXKKPFDE-WCQYABFASA-N 0 3 255.289 1.306 20 10 CDCDHN COc1ccc(CN(C)CC(OC)OC)c(O)c1 ZINC001203628909 939697773 /nfs/dbraw/zinc/69/77/73/939697773.db2.gz KKTSEALRQBFPQS-UHFFFAOYSA-N 0 3 255.314 1.452 20 10 CDCDHN CN(C)c1ccc(CN2CC3(C2)CCN(C)C3=O)cc1 ZINC001203937360 939715092 /nfs/dbraw/zinc/71/50/92/939715092.db2.gz WMCXHQGUCKDBQF-UHFFFAOYSA-N 0 3 273.380 1.417 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204278093 939751453 /nfs/dbraw/zinc/75/14/53/939751453.db2.gz SQYNAHDJRLFZGE-CYBMUJFWSA-N 0 3 278.352 1.541 20 10 CDCDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204278093 939751459 /nfs/dbraw/zinc/75/14/59/939751459.db2.gz SQYNAHDJRLFZGE-CYBMUJFWSA-N 0 3 278.352 1.541 20 10 CDCDHN Cc1nn(C)cc1CN1CCc2cccc(O)c2C1 ZINC001204582992 939777936 /nfs/dbraw/zinc/77/79/36/939777936.db2.gz UFQYADMZQXEAPR-UHFFFAOYSA-N 0 3 257.337 1.992 20 10 CDCDHN [NH3+]CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001205047056 939818315 /nfs/dbraw/zinc/81/83/15/939818315.db2.gz NVGCCENIBKPIFH-UHFFFAOYSA-N 0 3 264.325 1.261 20 10 CDCDHN [NH3+]C[C@@]1(O)CCCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001205725851 939927472 /nfs/dbraw/zinc/92/74/72/939927472.db2.gz MFRMUOULDLLYDU-AWEZNQCLSA-N 0 3 286.322 1.346 20 10 CDCDHN COc1cc(CN2C[C@@H]3CCO[C@@H]3C2)c(O)cc1O ZINC001231637649 942954801 /nfs/dbraw/zinc/95/48/01/942954801.db2.gz PLDPEZWCEDXIPR-LKFCYVNXSA-N 0 3 265.309 1.327 20 10 CDCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236286141 944444716 /nfs/dbraw/zinc/44/47/16/944444716.db2.gz LCSSOTAIVVECLV-KWQFWETISA-N 0 3 283.169 1.558 20 10 CDCDHN COc1cc(C)c(CN2CC(C)(CO)C2)c(O)c1 ZINC001236809310 944576782 /nfs/dbraw/zinc/57/67/82/944576782.db2.gz VRCPQPHJANYQAX-UHFFFAOYSA-N 0 3 251.326 1.523 20 10 CDCDHN CCN(Cc1c(C)cc(OC)cc1O)C1CN(C)C1 ZINC001236820317 944581181 /nfs/dbraw/zinc/58/11/81/944581181.db2.gz LGOQHWNHWLXDTE-UHFFFAOYSA-N 0 3 264.369 1.845 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001236826446 944585868 /nfs/dbraw/zinc/58/58/68/944585868.db2.gz JTZQWOQEKAMHSW-CVEARBPZSA-N 0 3 287.359 1.721 20 10 CDCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001236826446 944585874 /nfs/dbraw/zinc/58/58/74/944585874.db2.gz JTZQWOQEKAMHSW-CVEARBPZSA-N 0 3 287.359 1.721 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001237045314 944646312 /nfs/dbraw/zinc/64/63/12/944646312.db2.gz HRFSPPHFABZHKY-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN CCOc1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001237045314 944646318 /nfs/dbraw/zinc/64/63/18/944646318.db2.gz HRFSPPHFABZHKY-UHFFFAOYSA-N 0 3 276.380 1.928 20 10 CDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001237049534 944646644 /nfs/dbraw/zinc/64/66/44/944646644.db2.gz HKPKMNZZSWOEBD-HZPDHXFCSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001237049534 944646646 /nfs/dbraw/zinc/64/66/46/944646646.db2.gz HKPKMNZZSWOEBD-HZPDHXFCSA-N 0 3 295.379 1.356 20 10 CDCDHN CCOc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c([O-])c1 ZINC001237048642 944647056 /nfs/dbraw/zinc/64/70/56/944647056.db2.gz VFCOXVGCOYNWBU-UHFFFAOYSA-N 0 3 290.363 1.455 20 10 CDCDHN CCOc1ccc(CN2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001237048642 944647063 /nfs/dbraw/zinc/64/70/63/944647063.db2.gz VFCOXVGCOYNWBU-UHFFFAOYSA-N 0 3 290.363 1.455 20 10 CDCDHN COc1cc(CN2CC[C@H](C(C)=O)C2)c(O)c(OC)c1 ZINC001237680351 944923604 /nfs/dbraw/zinc/92/36/04/944923604.db2.gz JEZOTFHDHLOHFT-NSHDSACASA-N 0 3 279.336 1.820 20 10 CDCDHN COc1cc(CN2CC([C@@H](C)OC)C2)c(O)c(OC)c1 ZINC001237684117 944926269 /nfs/dbraw/zinc/92/62/69/944926269.db2.gz MPISNHLBCFPPQW-SNVBAGLBSA-N 0 3 281.352 1.876 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)C(C)C)c([O-])c1 ZINC001249171985 949433442 /nfs/dbraw/zinc/43/34/42/949433442.db2.gz HVHSVLANTYNEAF-UHFFFAOYSA-N 0 3 251.326 1.948 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)C(C)C)c([O-])c1 ZINC001249171985 949433458 /nfs/dbraw/zinc/43/34/58/949433458.db2.gz HVHSVLANTYNEAF-UHFFFAOYSA-N 0 3 251.326 1.948 20 10 CDCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001249201187 949454826 /nfs/dbraw/zinc/45/48/26/949454826.db2.gz JNTBSYORPUUAAA-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001249201187 949454835 /nfs/dbraw/zinc/45/48/35/949454835.db2.gz JNTBSYORPUUAAA-ZDUSSCGKSA-N 0 3 279.336 1.328 20 10 CDCDHN COCC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C(C)C ZINC001249200993 949455196 /nfs/dbraw/zinc/45/51/96/949455196.db2.gz ACSVWFDVOHAMTN-UHFFFAOYSA-N 0 3 295.379 1.965 20 10 CDCDHN COCC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C(C)C ZINC001249200993 949455201 /nfs/dbraw/zinc/45/52/01/949455201.db2.gz ACSVWFDVOHAMTN-UHFFFAOYSA-N 0 3 295.379 1.965 20 10 CDCDHN COc1cc(C)c(C[NH2+]C[C@H](O)C2CC2)c([O-])c1 ZINC001308743364 956572269 /nfs/dbraw/zinc/57/22/69/956572269.db2.gz VFDFJXSJGMLUIF-AWEZNQCLSA-N 0 3 251.326 1.570 20 10 CDCDHN C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222555 994335088 /nfs/dbraw/zinc/33/50/88/994335088.db2.gz KYMDPROZUMLTJC-NHCYSSNCSA-N 0 3 278.352 1.868 20 10 CDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCO2 ZINC000295127584 199359131 /nfs/dbraw/zinc/35/91/31/199359131.db2.gz XNZHLOJFZFSOEI-CYBMUJFWSA-N 0 3 298.408 1.039 20 10 CDCDHN CN(C)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000276860663 366189160 /nfs/dbraw/zinc/18/91/60/366189160.db2.gz WURJICULMPCDII-INIZCTEOSA-N 0 3 287.407 1.949 20 10 CDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1 ZINC000036794389 356884305 /nfs/dbraw/zinc/88/43/05/356884305.db2.gz ABBNFGIPYQAQHJ-MNOVXSKESA-N 0 3 250.342 1.828 20 10 CDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000036794389 356884308 /nfs/dbraw/zinc/88/43/08/356884308.db2.gz ABBNFGIPYQAQHJ-MNOVXSKESA-N 0 3 250.342 1.828 20 10 CDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CCCCC1 ZINC000180657908 357280244 /nfs/dbraw/zinc/28/02/44/357280244.db2.gz JRCGLIPELMECFD-FNORWQNLSA-N 0 3 290.363 1.713 20 10 CDCDHN COCCC[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000188936611 357954347 /nfs/dbraw/zinc/95/43/47/357954347.db2.gz UFKOZMZBUKPMOZ-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COCCC[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000188936611 357954351 /nfs/dbraw/zinc/95/43/51/357954351.db2.gz UFKOZMZBUKPMOZ-UHFFFAOYSA-N 0 3 253.342 1.531 20 10 CDCDHN COc1ccc(O)c(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1 ZINC000293814179 358136598 /nfs/dbraw/zinc/13/65/98/358136598.db2.gz FJPIMNCESKPBHD-CABZTGNLSA-N 0 3 285.365 1.066 20 10 CDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000131114034 358325099 /nfs/dbraw/zinc/32/50/99/358325099.db2.gz YELVXHLEWOKXMV-CYBMUJFWSA-N 0 3 281.425 1.449 20 10 CDCDHN CN(C)c1ccc(CNCCN2CCC(O)CC2)cc1F ZINC000294873978 199225508 /nfs/dbraw/zinc/22/55/08/199225508.db2.gz PKLDPVUMSMDFCW-UHFFFAOYSA-N 0 3 295.402 1.438 20 10 CDCDHN CCC(=O)N1CCCN(Cc2cccc(OC)c2O)CC1 ZINC000092187106 360268612 /nfs/dbraw/zinc/26/86/12/360268612.db2.gz PBWYUKLYOZAGNJ-UHFFFAOYSA-N 0 3 292.379 1.845 20 10 CDCDHN COC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000230672285 360338741 /nfs/dbraw/zinc/33/87/41/360338741.db2.gz UAXGCNQWTMEHAN-KOLCDFICSA-N 0 3 257.305 1.843 20 10 CDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000281241260 363770565 /nfs/dbraw/zinc/77/05/65/363770565.db2.gz VEXODIKJAAIXCG-NSHDSACASA-N 0 3 283.393 1.928 20 10 CDCDHN Cc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CC2)c1 ZINC000281241260 363770566 /nfs/dbraw/zinc/77/05/66/363770566.db2.gz VEXODIKJAAIXCG-NSHDSACASA-N 0 3 283.393 1.928 20 10 CDCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271122294 364933266 /nfs/dbraw/zinc/93/32/66/364933266.db2.gz YJFOVIWOBZGHRZ-SNVBAGLBSA-N 0 3 295.335 1.404 20 10 CDCDHN COCC1(O)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000271881384 365002480 /nfs/dbraw/zinc/00/24/80/365002480.db2.gz VDHDLPCEVIEYLX-UHFFFAOYSA-N 0 3 281.352 1.374 20 10 CDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272473036 365253981 /nfs/dbraw/zinc/25/39/81/365253981.db2.gz AVFYSPLWLKZZBR-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272473036 365253985 /nfs/dbraw/zinc/25/39/85/365253985.db2.gz AVFYSPLWLKZZBR-RYUDHWBXSA-N 0 3 265.353 1.994 20 10 CDCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000273382190 365490955 /nfs/dbraw/zinc/49/09/55/365490955.db2.gz IOAAXIHIHLHZJW-WCQYABFASA-N 0 3 282.359 1.639 20 10 CDCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000273382190 365490959 /nfs/dbraw/zinc/49/09/59/365490959.db2.gz IOAAXIHIHLHZJW-WCQYABFASA-N 0 3 282.359 1.639 20 10 CDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000233250839 367587418 /nfs/dbraw/zinc/58/74/18/367587418.db2.gz NIWGFCYUJIOZLU-MRXNPFEDSA-N 0 3 292.379 1.878 20 10 CDCDHN CCCOc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000233250839 367587426 /nfs/dbraw/zinc/58/74/26/367587426.db2.gz NIWGFCYUJIOZLU-MRXNPFEDSA-N 0 3 292.379 1.878 20 10 CDCDHN COCCOCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000288734950 369487644 /nfs/dbraw/zinc/48/76/44/369487644.db2.gz WVNSFIXPAGQNGC-UHFFFAOYSA-N 0 3 299.367 1.504 20 10 CDCDHN C[S@](=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296573564 371442516 /nfs/dbraw/zinc/44/25/16/371442516.db2.gz VHCWIHLQSHVPQJ-VOJFVSQTSA-N 0 3 265.378 1.880 20 10 CDCDHN COCCN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297933688 372037463 /nfs/dbraw/zinc/03/74/63/372037463.db2.gz XTNNISBDQUVVSW-KBPBESRZSA-N 0 3 276.380 1.690 20 10 CDCDHN CC(C)COC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121144644 390880860 /nfs/dbraw/zinc/88/08/60/390880860.db2.gz ASWLYEGEROAPGM-AWEZNQCLSA-N 0 3 267.369 1.858 20 10 CDCDHN CC(C)COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121144644 390880863 /nfs/dbraw/zinc/88/08/63/390880863.db2.gz ASWLYEGEROAPGM-AWEZNQCLSA-N 0 3 267.369 1.858 20 10 CDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000183374656 391263315 /nfs/dbraw/zinc/26/33/15/391263315.db2.gz NSOCVCBWXRFKIO-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000183374656 391263320 /nfs/dbraw/zinc/26/33/20/391263320.db2.gz NSOCVCBWXRFKIO-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN COc1cc(O)c(CN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000183374656 391263324 /nfs/dbraw/zinc/26/33/24/391263324.db2.gz NSOCVCBWXRFKIO-SNVBAGLBSA-N 0 3 294.351 1.107 20 10 CDCDHN CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000285276185 391714439 /nfs/dbraw/zinc/71/44/39/391714439.db2.gz ZFVRGDILISWKQV-VIFPVBQESA-N 0 3 253.298 1.588 20 10 CDCDHN CO[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000285276185 391714441 /nfs/dbraw/zinc/71/44/41/391714441.db2.gz ZFVRGDILISWKQV-VIFPVBQESA-N 0 3 253.298 1.588 20 10 CDCDHN Cc1cccc(C[NH2+]CCC(=O)NC(C)C)c1[O-] ZINC000135754169 391732504 /nfs/dbraw/zinc/73/25/04/391732504.db2.gz BOICPQBZZLBARB-UHFFFAOYSA-N 0 3 250.342 1.705 20 10 CDCDHN CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135719853 391732914 /nfs/dbraw/zinc/73/29/14/391732914.db2.gz HEVXUHLGHLOZGV-NSHDSACASA-N 0 3 250.342 1.958 20 10 CDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN(C)C)c1 ZINC000273378289 292014124 /nfs/dbraw/zinc/01/41/24/292014124.db2.gz HRPUQLLCJXQRFP-NSHDSACASA-N 0 3 280.368 1.781 20 10 CDCDHN C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295874847 286849683 /nfs/dbraw/zinc/84/96/83/286849683.db2.gz HFVONIMKGIZYBP-JSGCOSHPSA-N 0 3 276.380 1.690 20 10 CDCDHN C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000019899918 170911171 /nfs/dbraw/zinc/91/11/71/170911171.db2.gz SVIHVIKTPBTPEO-NXEZZACHSA-N 0 3 255.339 1.230 20 10 CDCDHN COCC[C@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000172070753 261069452 /nfs/dbraw/zinc/06/94/52/261069452.db2.gz BFABKNQHRQWFBE-AWEZNQCLSA-N 0 3 269.341 1.278 20 10 CDCDHN CCN(C)C(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000187676480 263266684 /nfs/dbraw/zinc/26/66/84/263266684.db2.gz UFFWZSDYCPHYJM-UHFFFAOYSA-N 0 3 286.759 1.622 20 10 CDCDHN COCC[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000282169975 277552846 /nfs/dbraw/zinc/55/28/46/277552846.db2.gz JFOACFNHLPLAOU-GFCCVEGCSA-N 0 3 270.348 1.379 20 10 CDCDHN C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)ccc1[O-] ZINC000530226675 328718352 /nfs/dbraw/zinc/71/83/52/328718352.db2.gz PTXZDPBLSVSORU-GXSJLCMTSA-N 0 3 254.305 1.170 20 10 CDCDHN CC(C)(O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000274718629 328005720 /nfs/dbraw/zinc/00/57/20/328005720.db2.gz CXOLUJJOFWBUEF-UHFFFAOYSA-N 0 3 253.298 1.372 20 10 CDCDHN C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000128063294 329604537 /nfs/dbraw/zinc/60/45/37/329604537.db2.gz HGMBSWMFNTXFHO-CYBMUJFWSA-N 0 3 284.787 1.808 20 10 CDCDHN CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])OC ZINC000290808193 522194268 /nfs/dbraw/zinc/19/42/68/522194268.db2.gz FWEYGCVNFCXEDA-LLVKDONJSA-N 0 3 269.341 1.924 20 10 CDCDHN CN(C)c1ccc(CNC2(CO)CCOCC2)cc1F ZINC000265273618 522206691 /nfs/dbraw/zinc/20/66/91/522206691.db2.gz VFHNFUCDPRJTFF-UHFFFAOYSA-N 0 3 282.359 1.523 20 10 CDCDHN COc1cc([O-])c(C[NH2+]CC(C)(C)OCCO)cc1OC ZINC000290125812 522779719 /nfs/dbraw/zinc/77/97/19/522779719.db2.gz JFSFOZXJQWCQRU-UHFFFAOYSA-N 0 3 299.367 1.287 20 10 CDCDHN CN(C)C/C=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000265664846 524034954 /nfs/dbraw/zinc/03/49/54/524034954.db2.gz RRICFFSBLBUTNV-FNORWQNLSA-N 0 3 287.407 1.803 20 10 CDCDHN Cc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280987083 524432152 /nfs/dbraw/zinc/43/21/52/524432152.db2.gz WQVIZSBCUOCAJM-UONOGXRCSA-N 0 3 265.353 1.435 20 10 CDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000281010300 524751615 /nfs/dbraw/zinc/75/16/15/524751615.db2.gz YMEILJIZRUDXHW-AAEUAGOBSA-N 0 3 281.352 1.135 20 10 CDCDHN C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000094617636 525454799 /nfs/dbraw/zinc/45/47/99/525454799.db2.gz XEYJUSAXXCSQPU-MRVPVSSYSA-N 0 3 261.318 1.227 20 10 CDCDHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482024 575208011 /nfs/dbraw/zinc/20/80/11/575208011.db2.gz DJSPVQNEWMPDKU-WDEREUQCSA-N 0 3 292.383 1.247 20 10 CDCDHN Cc1cc([O-])c(C[NH+]2CCC(OCCO)CC2)cc1C ZINC000769538078 575357982 /nfs/dbraw/zinc/35/79/82/575357982.db2.gz RBWRXEIFTHEOSP-UHFFFAOYSA-N 0 3 279.380 1.982 20 10 CDCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c1[O-] ZINC000765797244 576056648 /nfs/dbraw/zinc/05/66/48/576056648.db2.gz RBBWRVFJLFEVNB-STQMWFEESA-N 0 3 292.379 1.795 20 10 CDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCO1 ZINC000768441723 576283259 /nfs/dbraw/zinc/28/32/59/576283259.db2.gz GYOTXGOUFBNGBZ-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCO1 ZINC000768441723 576283264 /nfs/dbraw/zinc/28/32/64/576283264.db2.gz GYOTXGOUFBNGBZ-IUODEOHRSA-N 0 3 293.363 1.819 20 10 CDCDHN CCN(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000741753080 576570606 /nfs/dbraw/zinc/57/06/06/576570606.db2.gz LYYKJDQNCKTJHS-UHFFFAOYSA-N 0 3 275.396 1.840 20 10 CDCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000754839870 576918512 /nfs/dbraw/zinc/91/85/12/576918512.db2.gz HSYCIXPKBZMAFI-AWEZNQCLSA-N 0 3 267.325 1.032 20 10 CDCDHN COc1cccc(C[NH2+]CCCNc2ncccn2)c1[O-] ZINC000751506297 577046391 /nfs/dbraw/zinc/04/63/91/577046391.db2.gz NOHJHLWKHUYOFH-UHFFFAOYSA-N 0 3 288.351 1.783 20 10 CDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000840937827 617613868 /nfs/dbraw/zinc/61/38/68/617613868.db2.gz YFICHHJUURGNGJ-CQSZACIVSA-N 0 3 287.407 1.914 20 10 CDCDHN COc1cc(O)c(CN[C@@H](C)c2n[nH]c(C)n2)cc1OC ZINC000894771987 619047652 /nfs/dbraw/zinc/04/76/52/619047652.db2.gz CSEUKNSVSYLBIG-QMMMGPOBSA-N 0 3 292.339 1.687 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3[O-])C[C@@H]2C1 ZINC000895576883 619734779 /nfs/dbraw/zinc/73/47/79/619734779.db2.gz QMOWOJIQCZBORS-OKILXGFUSA-N 0 3 274.364 1.611 20 10 CDCDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3[O-])C[C@@H]2C1 ZINC000895576883 619734780 /nfs/dbraw/zinc/73/47/80/619734780.db2.gz QMOWOJIQCZBORS-OKILXGFUSA-N 0 3 274.364 1.611 20 10 CDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCNC2=O)c1[O-] ZINC000895813308 619857186 /nfs/dbraw/zinc/85/71/86/619857186.db2.gz CCSYAGPEQZFJLQ-UHFFFAOYSA-N 0 3 299.758 1.169 20 10 CDCDHN CC[C@@H]1C(=O)NCCCN1Cc1cc(C)ccc1O ZINC000898544459 621787599 /nfs/dbraw/zinc/78/75/99/621787599.db2.gz BKPAZQHACLYIAO-CYBMUJFWSA-N 0 3 262.353 1.801 20 10 CDCDHN CCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724015 622386130 /nfs/dbraw/zinc/38/61/30/622386130.db2.gz ISQLSPBDNPBFEY-CQSZACIVSA-N 0 3 294.468 1.839 20 10 CDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1)OCO2 ZINC000230667401 1161045327 /nfs/dbraw/zinc/04/53/27/1161045327.db2.gz ATGKNDLAMUYFSB-ZYHUDNBSSA-N 0 3 279.336 1.762 20 10 CDCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)N1CCOCC1 ZINC000876615349 1165881898 /nfs/dbraw/zinc/88/18/98/1165881898.db2.gz BOPAHLDMKHKBNL-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)N1CCOCC1 ZINC000876615349 1165881902 /nfs/dbraw/zinc/88/19/02/1165881902.db2.gz BOPAHLDMKHKBNL-UHFFFAOYSA-N 0 3 278.396 1.935 20 10 CDCDHN Cc1cccc(O)c1CN1CCN(C[C@H](C)O)CC1 ZINC000876686684 1165895168 /nfs/dbraw/zinc/89/51/68/1165895168.db2.gz FWHGCNKIVUHINA-ZDUSSCGKSA-N 0 3 264.369 1.199 20 10 CDCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])C[NH+]1CCCC1 ZINC000126398939 1165989879 /nfs/dbraw/zinc/98/98/79/1165989879.db2.gz QJYSNVSAEXZYFE-LLVKDONJSA-N 0 3 278.352 1.560 20 10 CDCDHN CC(C)NC(=O)NCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649180 1166392506 /nfs/dbraw/zinc/39/25/06/1166392506.db2.gz KZXUWNDHFDGWAN-LLVKDONJSA-N 0 3 265.357 1.750 20 10 CDCDHN