smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1(C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(=O)[O-])CCC1 ZINC001119612246 795329903 /nfs/dbraw/zinc/32/99/03/795329903.db2.gz YIHZNONCBCRLGU-LBPRGKRZSA-N -1 0 315.316 2.172 20 10 DECDRM Oc1cccc(F)c1CN1CCN(Cc2cccnc2)CC1 ZINC001137831716 796144233 /nfs/dbraw/zinc/14/42/33/796144233.db2.gz KWYWUICQSQAJPY-UHFFFAOYSA-N -1 0 301.365 2.244 20 10 DECDRM CCOC(=O)[C@H]1CSCCN1Cc1c([O-])cc(F)cc1F ZINC001140584026 796541897 /nfs/dbraw/zinc/54/18/97/796541897.db2.gz CYHWAEIAABXFMD-GFCCVEGCSA-N -1 0 317.357 2.151 20 10 DECDRM CC(C)CC(=O)N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583954 796542136 /nfs/dbraw/zinc/54/21/36/796542136.db2.gz ZSNRDQCBYJPOHZ-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM Cc1sc([N-]S(=O)(=O)CC2CCC2)c(C(N)=O)c1C ZINC001193470970 797571485 /nfs/dbraw/zinc/57/14/85/797571485.db2.gz DUICMDAVDBQYMO-UHFFFAOYSA-N -1 0 302.421 2.006 20 10 DECDRM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625972 797595139 /nfs/dbraw/zinc/59/51/39/797595139.db2.gz QGYPWJVHAKBCJK-NSHDSACASA-N -1 0 319.744 2.485 20 10 DECDRM CC1(C)CN(C(=O)c2cc(O)c([O-])c(Cl)c2)[C@@](C)(CO)C1 ZINC001193605763 797601948 /nfs/dbraw/zinc/60/19/48/797601948.db2.gz KHKICKSIERQGGA-OAHLLOKOSA-N -1 0 313.781 2.374 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@H]1COCO1 ZINC001227937228 803297313 /nfs/dbraw/zinc/29/73/13/803297313.db2.gz GFKFWSVICAKGQG-GFCCVEGCSA-N -1 0 316.309 2.081 20 10 DECDRM O=C([O-])C1C[NH+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708070012 954991681 /nfs/dbraw/zinc/99/16/81/954991681.db2.gz FODLVMMRGSBUMG-UHFFFAOYSA-N -1 0 320.570 2.325 20 10 DECDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC001594727310 957015653 /nfs/dbraw/zinc/01/56/53/957015653.db2.gz RHUQYUCRMKEZFE-STQMWFEESA-N -1 0 313.309 2.141 20 10 DECDRM CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)C(=O)[O-] ZINC001339810558 957880625 /nfs/dbraw/zinc/88/06/25/957880625.db2.gz GCNVUDIYYAUDFY-SNVBAGLBSA-N -1 0 314.769 2.202 20 10 DECDRM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(O)c1O ZINC001594344488 958317036 /nfs/dbraw/zinc/31/70/36/958317036.db2.gz ALTGZNGAFJXYSZ-RTXFEEFZSA-N -1 0 319.357 2.264 20 10 DECDRM COc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c(O)c1 ZINC001594093407 958381571 /nfs/dbraw/zinc/38/15/71/958381571.db2.gz UDUFHABWLCACLQ-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM Cc1cc(CC(=O)NCCC(=O)[O-])c(C)n1-c1ccccc1 ZINC001330279904 961342025 /nfs/dbraw/zinc/34/20/25/961342025.db2.gz OAZYYPJGVNOWCW-UHFFFAOYSA-N -1 0 300.358 2.228 20 10 DECDRM O=C([O-])c1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001574514188 961835797 /nfs/dbraw/zinc/83/57/97/961835797.db2.gz WFIUTFROZSMSSF-SOFGYWHQSA-N -1 0 313.309 2.126 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC000715762393 977781375 /nfs/dbraw/zinc/78/13/75/977781375.db2.gz KDHMWRFDWRZNHR-SNVBAGLBSA-N -1 0 318.142 2.247 20 10 DECDRM CC(=O)c1cc(COc2ccc(N(C)C)c(C(=O)[O-])c2)on1 ZINC001589268214 985953273 /nfs/dbraw/zinc/95/32/73/985953273.db2.gz NXRVLUZHQJTMCV-UHFFFAOYSA-N -1 0 304.302 2.220 20 10 DECDRM C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1ccccc1O ZINC001599842760 988875327 /nfs/dbraw/zinc/87/53/27/988875327.db2.gz YARYRPYMFOFZFC-LLVKDONJSA-N -1 0 315.391 2.018 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC001598320436 991316463 /nfs/dbraw/zinc/31/64/63/991316463.db2.gz FOGUXYUKMHRTPN-UHFFFAOYSA-N -1 0 306.293 2.113 20 10 DECDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(N(C)C)cc1 ZINC001593056600 993567968 /nfs/dbraw/zinc/56/79/68/993567968.db2.gz WIOBJRYOERFEJP-YWPYICTPSA-N -1 0 319.405 2.318 20 10 DECDRM COc1ccc(O)c(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599598317 993779267 /nfs/dbraw/zinc/77/92/67/993779267.db2.gz KZUOBQFDCWJYSY-UHFFFAOYSA-N -1 0 319.273 2.014 20 10 DECDRM COc1cccc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)c1O ZINC001599674045 994865216 /nfs/dbraw/zinc/86/52/16/994865216.db2.gz YCHZEPRPGPNRJX-HNNXBMFYSA-N -1 0 315.325 2.253 20 10 DECDRM CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])C1 ZINC001599109382 997539869 /nfs/dbraw/zinc/53/98/69/997539869.db2.gz PWIWRZMONDJYJC-MPKXVKKWSA-N -1 0 311.353 2.279 20 10 DECDRM O=C([O-])c1cnc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)s1 ZINC001602513550 1069659939 /nfs/dbraw/zinc/65/99/39/1069659939.db2.gz NAGDXJZKYKAQDH-ZETCQYMHSA-N -1 0 324.383 2.238 20 10 DECDRM C[C@H](O)[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001604386972 1070358576 /nfs/dbraw/zinc/35/85/76/1070358576.db2.gz HFDYZRZAZFFACA-LCMYJQKYSA-N -1 0 306.318 2.042 20 10 DECDRM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC001606181208 1071065639 /nfs/dbraw/zinc/06/56/39/1071065639.db2.gz JKQCBZBZBXCLIE-QJUZWUIZSA-N -1 0 306.318 2.042 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001606601024 1071171722 /nfs/dbraw/zinc/17/17/22/1071171722.db2.gz BBLGDHVBVWIPLY-FOGDFJRCSA-N -1 0 307.346 2.083 20 10 DECDRM COc1ccc(O)c([C@@H](C)Nc2nc(C)cc(C(=O)[O-])n2)c1 ZINC001607277570 1071392450 /nfs/dbraw/zinc/39/24/50/1071392450.db2.gz HSSDKDSMMDBCKC-SECBINFHSA-N -1 0 303.318 2.371 20 10 DECDRM Cn1c(NC(=O)c2c(F)ccc(O)c2[O-])nc2ccccc21 ZINC001457985361 1058039839 /nfs/dbraw/zinc/03/98/39/1058039839.db2.gz ROCIAZACIAZBIZ-UHFFFAOYSA-N -1 0 301.277 2.376 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1ccoc1 ZINC001610780314 1078075767 /nfs/dbraw/zinc/07/57/67/1078075767.db2.gz FZQWWLBAERGRJJ-UHFFFAOYSA-N -1 0 309.705 2.366 20 10 DECDRM O=C([O-])[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1F ZINC001610878691 1078090713 /nfs/dbraw/zinc/09/07/13/1078090713.db2.gz WMYVGOIGRGBIRB-CYBMUJFWSA-N -1 0 306.245 2.220 20 10 DECDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1O ZINC001643745365 1078811862 /nfs/dbraw/zinc/81/18/62/1078811862.db2.gz MLWXXHVYLJRPLK-VIFPVBQESA-N -1 0 302.286 2.497 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001235300264 1079011880 /nfs/dbraw/zinc/01/18/80/1079011880.db2.gz WISKFLKGPFXFHM-MNOVXSKESA-N -1 0 322.149 2.199 20 10 DECDRM Nc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001580445588 1075925017 /nfs/dbraw/zinc/92/50/17/1075925017.db2.gz LNKZKCRDSIHCDD-UHFFFAOYSA-N -1 0 308.341 2.090 20 10 DECDRM Cc1cc(C(=O)[O-])nc(NCc2ccc3c(c2)CCCN3C)n1 ZINC001600128618 1077142367 /nfs/dbraw/zinc/14/23/67/1077142367.db2.gz UQXLBCPHHDUFOD-UHFFFAOYSA-N -1 0 312.373 2.478 20 10 DECDRM Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)C(=O)[O-])cc1 ZINC001600375992 1077190013 /nfs/dbraw/zinc/19/00/13/1077190013.db2.gz CTNGKDSJACGQRX-INIZCTEOSA-N -1 0 312.369 2.104 20 10 DECDRM Cc1n[nH]cc1CN(C)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC001600675229 1077245814 /nfs/dbraw/zinc/24/58/14/1077245814.db2.gz YPINRCYCHCDUNS-GQCTYLIASA-N -1 0 316.317 2.361 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)c1ccccc1)Sc1nccs1 ZINC001601469436 1077399133 /nfs/dbraw/zinc/39/91/33/1077399133.db2.gz YRDHMHWNTNACRT-SNVBAGLBSA-N -1 0 308.384 2.118 20 10 DECDRM O=C([O-])[C@H](C[C@H]1CCCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001601641636 1077423725 /nfs/dbraw/zinc/42/37/25/1077423725.db2.gz JXVJCAQSFRTGMT-SKDRFNHKSA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2Cc3cncnc3C2)c([N+](=O)[O-])c1 ZINC001601882640 1077469648 /nfs/dbraw/zinc/46/96/48/1077469648.db2.gz LRSCOTUYKQZPRF-RQOWECAXSA-N -1 0 312.285 2.003 20 10 DECDRM O=C([O-])C[C@H](NC(=O)c1cccc(O)c1O)c1cccs1 ZINC001601905538 1077473587 /nfs/dbraw/zinc/47/35/87/1077473587.db2.gz JBKRZGYSUDKGFA-VIFPVBQESA-N -1 0 307.327 2.105 20 10 DECDRM O=C([O-])CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC001601936510 1077478996 /nfs/dbraw/zinc/47/89/96/1077478996.db2.gz WCGDNHHUQZALKN-UHFFFAOYSA-N -1 0 317.744 2.298 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1cc2c(cc1C=O)OCO2 ZINC001608038696 1077583000 /nfs/dbraw/zinc/58/30/00/1077583000.db2.gz DYAUFEQSACFHSY-UHFFFAOYSA-N -1 0 304.254 2.406 20 10 DECDRM O=C([O-])[C@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001609011772 1077740333 /nfs/dbraw/zinc/74/03/33/1077740333.db2.gz DYQUZDGXWUQFLJ-CYBMUJFWSA-N -1 0 306.245 2.220 20 10 DECDRM COC(=O)COc1ccc(N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC001610187303 1077988218 /nfs/dbraw/zinc/98/82/18/1077988218.db2.gz RUPIUVVETXFZNZ-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC(=O)[O-])cc1C(C)C ZINC001610476157 1078026971 /nfs/dbraw/zinc/02/69/71/1078026971.db2.gz WISQOJIAQUSSBL-CQSZACIVSA-N -1 0 307.390 2.500 20 10 DECDRM Cc1ccc(O)c(CNc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC001610509533 1078032251 /nfs/dbraw/zinc/03/22/51/1078032251.db2.gz IMHUIHJBQWAAGZ-UHFFFAOYSA-N -1 0 314.341 2.127 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001235067738 1084295894 /nfs/dbraw/zinc/29/58/94/1084295894.db2.gz ZCQCIRXMHBZXBN-WDEREUQCSA-N -1 0 302.143 2.267 20 10 DECDRM O=C1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235303110 1084378488 /nfs/dbraw/zinc/37/84/88/1084378488.db2.gz KRNRSTXQXJUDJN-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM COc1ccc(CN2CC[C@](O)(CF)[C@@H](F)C2)c([O-])c1Cl ZINC001236800666 1138431299 /nfs/dbraw/zinc/43/12/99/1138431299.db2.gz CJMWNYQSIPQUMV-FZMZJTMJSA-N -1 0 321.751 2.299 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617449 1138718629 /nfs/dbraw/zinc/71/86/29/1138718629.db2.gz QWZLIOWGRZYUEW-KOLCDFICSA-N -1 0 305.708 2.270 20 10 DECDRM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804279 1138793060 /nfs/dbraw/zinc/79/30/60/1138793060.db2.gz CCXRYBOZDQVJNO-LBPRGKRZSA-N -1 0 300.761 2.237 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC(F)C1 ZINC001251387893 1142425416 /nfs/dbraw/zinc/42/54/16/1142425416.db2.gz PVDRMVICCVOVIE-UHFFFAOYSA-N -1 0 300.138 2.041 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cccc(Cl)c1[O-] ZINC000376821592 533043231 /nfs/dbraw/zinc/04/32/31/533043231.db2.gz FOJCRFNJDZWFJA-AAEUAGOBSA-N -1 0 313.781 2.198 20 10 DECDRM COC(=O)[C@H]1COCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271163524 403271156 /nfs/dbraw/zinc/27/11/56/403271156.db2.gz GNBAWKDVCVBQRW-LLVKDONJSA-N -1 0 320.172 2.073 20 10 DECDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000296175509 404127658 /nfs/dbraw/zinc/12/76/58/404127658.db2.gz ICMNFOOOXTYAOB-MRVPVSSYSA-N -1 0 321.308 2.106 20 10 DECDRM COc1cc(Br)cc(CN2CCCOCC2)c1O ZINC000374323835 404704830 /nfs/dbraw/zinc/70/48/30/404704830.db2.gz JQEFXSZJKMMFLS-UHFFFAOYSA-N -1 0 316.195 2.386 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC001357172761 1152262612 /nfs/dbraw/zinc/26/26/12/1152262612.db2.gz IVAFSCKSSRDLQI-STQMWFEESA-N -1 0 321.421 2.012 20 10 DECDRM Cc1cc(C(=O)CN(C)CC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738321105 600069343 /nfs/dbraw/zinc/06/93/43/600069343.db2.gz WNUDONDNLVFVKU-UHFFFAOYSA-N -1 0 318.348 2.432 20 10 DECDRM Cc1oc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1C(=O)[O-] ZINC000832912671 601332626 /nfs/dbraw/zinc/33/26/26/601332626.db2.gz XJTWGKAXUSKAOG-UHFFFAOYSA-N -1 0 319.313 2.278 20 10 DECDRM O=C([O-])/C=C\c1ccc(N(CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000833196285 601444654 /nfs/dbraw/zinc/44/46/54/601444654.db2.gz QDDLHNPMUYCYEC-YWEYNIOJSA-N -1 0 320.345 2.434 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000828355641 603432628 /nfs/dbraw/zinc/43/26/28/603432628.db2.gz OAHIOLABSAMQGS-ZIAGYGMSSA-N -1 0 319.405 2.147 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000828354972 603680100 /nfs/dbraw/zinc/68/01/00/603680100.db2.gz GTEZAQDLOZWQFG-CQSZACIVSA-N -1 0 319.405 2.101 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C=C2CCC2)NC(=O)[O-])cc1 ZINC000828064589 604226465 /nfs/dbraw/zinc/22/64/65/604226465.db2.gz UCMCCPYJCJYQEC-OAHLLOKOSA-N -1 0 317.389 2.288 20 10 DECDRM C[C@H](CC(=O)NCc1ccccc1O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824665285 604580441 /nfs/dbraw/zinc/58/04/41/604580441.db2.gz TXIQQPSLDHAWQB-TZMCWYRMSA-N -1 0 320.389 2.425 20 10 DECDRM C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(=O)[O-] ZINC000833630204 604669287 /nfs/dbraw/zinc/66/92/87/604669287.db2.gz PZUGXOWSQKQDGA-OIBJUYFYSA-N -1 0 314.725 2.106 20 10 DECDRM CC1=C(C(=O)[O-])C[C@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000833578479 605378209 /nfs/dbraw/zinc/37/82/09/605378209.db2.gz LAUGHYWOCTZYEK-CYBMUJFWSA-N -1 0 318.373 2.099 20 10 DECDRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccccc1O ZINC000831718762 605827562 /nfs/dbraw/zinc/82/75/62/605827562.db2.gz CGYQCXGBFSAWBL-YUTCNCBUSA-N -1 0 318.373 2.320 20 10 DECDRM CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)[O-] ZINC000317234841 635203310 /nfs/dbraw/zinc/20/33/10/635203310.db2.gz DKCPWVZCZRPUDK-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000756340810 635217412 /nfs/dbraw/zinc/21/74/12/635217412.db2.gz UVPGDMQDGQQXCT-LBPRGKRZSA-N -1 0 308.315 2.277 20 10 DECDRM CCOC(=O)[C@H]1CSCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893917853 636064695 /nfs/dbraw/zinc/06/46/95/636064695.db2.gz DHCJMWMDVYFQGW-GFCCVEGCSA-N -1 0 317.357 2.151 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CC(OCC(F)F)C2)c1[O-] ZINC000839139352 637802649 /nfs/dbraw/zinc/80/26/49/637802649.db2.gz ZZUPTYGGZLLFLI-UHFFFAOYSA-N -1 0 322.695 2.420 20 10 DECDRM Cc1n[nH]c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1[O-] ZINC000749223675 638625494 /nfs/dbraw/zinc/62/54/94/638625494.db2.gz UNVFRXICVVTZNM-UHFFFAOYSA-N -1 0 314.389 2.344 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(F)c(O)c(F)c1 ZINC000749891373 638688978 /nfs/dbraw/zinc/68/89/78/638688978.db2.gz IKHRAMPOPYFSQI-IZZDOVSWSA-N -1 0 316.263 2.132 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C\c2cc(F)cc(F)c2)SC1=S ZINC000755405123 639548998 /nfs/dbraw/zinc/54/89/98/639548998.db2.gz XKPNECGUMGNMSM-YCRREMRBSA-N -1 0 315.322 2.251 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000756339371 639651020 /nfs/dbraw/zinc/65/10/20/639651020.db2.gz MLYJTOZQEHTJIZ-AWEZNQCLSA-N -1 0 320.276 2.355 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)ncn2)c1 ZINC000756776838 639693836 /nfs/dbraw/zinc/69/38/36/639693836.db2.gz SGKNTGRMYSKXPT-LLVKDONJSA-N -1 0 301.346 2.128 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CCC(CC(=O)[O-])CC2)cc1OC ZINC000321703210 640331213 /nfs/dbraw/zinc/33/12/13/640331213.db2.gz NXJZDQRPZUJUBT-UHFFFAOYSA-N -1 0 324.333 2.303 20 10 DECDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000763373537 640536762 /nfs/dbraw/zinc/53/67/62/640536762.db2.gz KQLANLSRDIQTPR-UHFFFAOYSA-N -1 0 302.352 2.351 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000764677288 640676580 /nfs/dbraw/zinc/67/65/80/640676580.db2.gz GUSBSANWUBBQAB-NSHDSACASA-N -1 0 321.801 2.194 20 10 DECDRM Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1F ZINC000729674153 640826471 /nfs/dbraw/zinc/82/64/71/640826471.db2.gz DCFIKHCKNOPSPD-YHYXMXQVSA-N -1 0 311.359 2.420 20 10 DECDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000766316130 640870030 /nfs/dbraw/zinc/87/00/30/640870030.db2.gz AEBHERHGOXDPRB-UHFFFAOYSA-N -1 0 323.418 2.360 20 10 DECDRM C[C@@H](NCc1nnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000787045809 641020092 /nfs/dbraw/zinc/02/00/92/641020092.db2.gz YLYLGNLNQIERCZ-ZCFIWIBFSA-N -1 0 302.165 2.073 20 10 DECDRM Cc1nc2n(n1)CCN(Cc1cccc(Br)c1[O-])C2 ZINC000769445867 641240867 /nfs/dbraw/zinc/24/08/67/641240867.db2.gz HKMMPJIMQMQKNO-UHFFFAOYSA-N -1 0 323.194 2.070 20 10 DECDRM CC(=O)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775644637 642070995 /nfs/dbraw/zinc/07/09/95/642070995.db2.gz MBWMVHZBINIUIT-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM Cn1cc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)cn1 ZINC000775696965 642080945 /nfs/dbraw/zinc/08/09/45/642080945.db2.gz RNXUZFZIUIQRJD-UHFFFAOYSA-N -1 0 324.787 2.240 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000779836432 642547464 /nfs/dbraw/zinc/54/74/64/642547464.db2.gz DEKORHFAJJFBIY-UHFFFAOYSA-N -1 0 307.375 2.034 20 10 DECDRM CCCC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780350048 642615395 /nfs/dbraw/zinc/61/53/95/642615395.db2.gz OAHQJKPYXXYJQJ-CQSZACIVSA-N -1 0 307.394 2.195 20 10 DECDRM C[C@H](NCc1nnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000787045806 643444227 /nfs/dbraw/zinc/44/42/27/643444227.db2.gz YLYLGNLNQIERCZ-LURJTMIESA-N -1 0 302.165 2.073 20 10 DECDRM COC(=O)[C@@H](CC(F)F)NCc1c([O-])ccc(Cl)c1F ZINC000792180251 644084992 /nfs/dbraw/zinc/08/49/92/644084992.db2.gz OYTJPXBNMFLPSB-MRVPVSSYSA-N -1 0 311.687 2.471 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC000797432177 644878839 /nfs/dbraw/zinc/87/88/39/644878839.db2.gz QDCAPHVJYCMFCZ-UHFFFAOYSA-N -1 0 315.782 2.142 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1O ZINC000800839213 645310298 /nfs/dbraw/zinc/31/02/98/645310298.db2.gz ZUELEAIJNWQBOR-UHFFFAOYSA-N -1 0 307.327 2.230 20 10 DECDRM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484389 645720285 /nfs/dbraw/zinc/72/02/85/645720285.db2.gz NDWNMNBMOXONMO-DYVFJYSZSA-N -1 0 305.374 2.488 20 10 DECDRM C[C@@H]1CC[C@@H](CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)O1 ZINC000911486493 645720999 /nfs/dbraw/zinc/72/09/99/645720999.db2.gz OIQOOHBRVAOGBB-OCCSQVGLSA-N -1 0 321.373 2.153 20 10 DECDRM C[C@H]1CC[C@H](CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)O1 ZINC000911486491 645721150 /nfs/dbraw/zinc/72/11/50/645721150.db2.gz OIQOOHBRVAOGBB-GXTWGEPZSA-N -1 0 321.373 2.153 20 10 DECDRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc2cccnc2c1O ZINC000911701256 645796934 /nfs/dbraw/zinc/79/69/34/645796934.db2.gz SRDQRPLGTNFDLQ-UHFFFAOYSA-N -1 0 316.357 2.448 20 10 DECDRM CC[C@H](NCc1nnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163147 645805125 /nfs/dbraw/zinc/80/51/25/645805125.db2.gz MAYFLPGPUMLXMR-JTQLQIEISA-N -1 0 316.192 2.463 20 10 DECDRM CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814177037 646857884 /nfs/dbraw/zinc/85/78/84/646857884.db2.gz XMMFLPHPJZDUEX-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM CCOC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816480200 647139702 /nfs/dbraw/zinc/13/97/02/647139702.db2.gz GGNRVNOHZRTGEU-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM O=S1(=O)CCN(Cc2cccc(Cl)c2[O-])[C@@H]2CCC[C@H]21 ZINC000825200656 648724143 /nfs/dbraw/zinc/72/41/43/648724143.db2.gz FXEKSXJXPBSUES-CHWSQXEVSA-N -1 0 315.822 2.197 20 10 DECDRM Cc1cc(O)c(CN2CC(n3cc([C@@H](C)O)nn3)C2)cc1Cl ZINC000825461747 648765448 /nfs/dbraw/zinc/76/54/48/648765448.db2.gz NSBVJDPTVOPYJF-SNVBAGLBSA-N -1 0 322.796 2.056 20 10 DECDRM Cc1nnc(CN(C)Cc2cccc(Br)c2[O-])o1 ZINC000827039423 648963109 /nfs/dbraw/zinc/96/31/09/648963109.db2.gz SXGMZFAFEPVLJR-UHFFFAOYSA-N -1 0 312.167 2.478 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000844210443 651092820 /nfs/dbraw/zinc/09/28/20/651092820.db2.gz XQSPASRSJRJIQK-BPJJOFIESA-N -1 0 320.345 2.291 20 10 DECDRM CN(CCCCCO)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210133 651092938 /nfs/dbraw/zinc/09/29/38/651092938.db2.gz RGGOJYNQXVHRPE-SOFGYWHQSA-N -1 0 308.334 2.291 20 10 DECDRM CN(C[C@@H]1CCC[C@H]1O)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213973 651094451 /nfs/dbraw/zinc/09/44/51/651094451.db2.gz BWMDDBQIURPUGL-PGGQVOCTSA-N -1 0 320.345 2.290 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000846702226 651347200 /nfs/dbraw/zinc/34/72/00/651347200.db2.gz LGQOTJXXCHJDIS-SNVBAGLBSA-N -1 0 309.362 2.469 20 10 DECDRM C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000849366333 651660446 /nfs/dbraw/zinc/66/04/46/651660446.db2.gz RGRADXHZJFFNDO-LEWSCRJBSA-N -1 0 304.390 2.063 20 10 DECDRM CCNC(=O)C[N@H+](CC)Cc1cccc(Br)c1[O-] ZINC000133617279 684221256 /nfs/dbraw/zinc/22/12/56/684221256.db2.gz JMUVJOISQYCRMW-UHFFFAOYSA-N -1 0 315.211 2.113 20 10 DECDRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042442 693884702 /nfs/dbraw/zinc/88/47/02/693884702.db2.gz DYJICTPAYVIGFY-APPDUMDISA-N -1 0 319.405 2.366 20 10 DECDRM C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000861449814 686126974 /nfs/dbraw/zinc/12/69/74/686126974.db2.gz YQGSDMUHBGYGFM-IUODEOHRSA-N -1 0 319.405 2.005 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)CC(C)C)cc1 ZINC000872959058 689128746 /nfs/dbraw/zinc/12/87/46/689128746.db2.gz ALCMMPNTZLGTAN-ZDUSSCGKSA-N -1 0 322.405 2.137 20 10 DECDRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)[O-] ZINC000874405564 689403652 /nfs/dbraw/zinc/40/36/52/689403652.db2.gz QUOXAQPZMIPJCL-NWDGAFQWSA-N -1 0 308.378 2.499 20 10 DECDRM COC(=O)[C@H](CC(F)(F)F)NCc1ccc(F)c(F)c1[O-] ZINC000877470231 690122774 /nfs/dbraw/zinc/12/27/74/690122774.db2.gz ZQBANELLXIQGOD-QMMMGPOBSA-N -1 0 313.222 2.254 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)[S@]1=O ZINC000877517316 690138314 /nfs/dbraw/zinc/13/83/14/690138314.db2.gz MVGFZKGHBURAEP-GYKIULCDSA-N -1 0 303.374 2.402 20 10 DECDRM Cc1nonc1CNCc1cc(Br)cc(F)c1[O-] ZINC000883203865 691455695 /nfs/dbraw/zinc/45/56/95/691455695.db2.gz MXDDXEAZBLZCGY-UHFFFAOYSA-N -1 0 316.130 2.275 20 10 DECDRM Cc1cc(C(=O)NCC2(C(=O)[O-])CC2)c(C)n1-c1ccccn1 ZINC000909641833 693035658 /nfs/dbraw/zinc/03/56/58/693035658.db2.gz ILZXRNNPJJXKIV-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM O=C([O-])C=Cc1ccccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170323355 786909521 /nfs/dbraw/zinc/90/95/21/786909521.db2.gz YDRLTQPVROTRPS-SOFGYWHQSA-N -1 0 313.309 2.490 20 10 DECDRM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889315 791639166 /nfs/dbraw/zinc/63/91/66/791639166.db2.gz GHYKATGAKILLGY-NSHDSACASA-N -1 0 321.327 2.473 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001118221670 795167037 /nfs/dbraw/zinc/16/70/37/795167037.db2.gz HFFQAHKSVCUFMJ-CPCLXONGSA-N -1 0 318.329 2.044 20 10 DECDRM CC(C)(C)C(=O)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687999 796410340 /nfs/dbraw/zinc/41/03/40/796410340.db2.gz VDPHJXPGVMNEPR-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1F)c1ncc(F)cc1F ZINC001190172749 796953678 /nfs/dbraw/zinc/95/36/78/796953678.db2.gz CKVWIQAMYDDVKA-UHFFFAOYSA-N -1 0 304.249 2.005 20 10 DECDRM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190183663 796957446 /nfs/dbraw/zinc/95/74/46/796957446.db2.gz SLFUAZQIJNVYOQ-UHFFFAOYSA-N -1 0 314.313 2.483 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1cc(F)cc(F)c1F ZINC001190387655 796989816 /nfs/dbraw/zinc/98/98/16/796989816.db2.gz KFLCJHVFPGZQSV-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)C(Cl)(Cl)Cl ZINC001191997927 797296868 /nfs/dbraw/zinc/29/68/68/797296868.db2.gz XTBYRPBRRSTKKB-UHFFFAOYSA-N -1 0 306.554 2.167 20 10 DECDRM COc1cccnc1CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197131710 798146441 /nfs/dbraw/zinc/14/64/41/798146441.db2.gz QVBSAQRTQKWHMG-UHFFFAOYSA-N -1 0 317.370 2.275 20 10 DECDRM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)c(C)c1 ZINC001198939838 798417656 /nfs/dbraw/zinc/41/76/56/798417656.db2.gz LZYIZOJEEWHZEG-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000401329112 801824702 /nfs/dbraw/zinc/82/47/02/801824702.db2.gz BRYOCSYWCZERTM-PZBABLGHSA-N -1 0 306.318 2.308 20 10 DECDRM CCNC(=O)OC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078999 802021950 /nfs/dbraw/zinc/02/19/50/802021950.db2.gz RRYMDJFAGCXDFJ-UHFFFAOYSA-N -1 0 314.332 2.381 20 10 DECDRM [O-]c1c(CN2CCN3CC(F)(F)C[C@H]3C2)ccc(F)c1F ZINC001233078257 802022666 /nfs/dbraw/zinc/02/26/66/802022666.db2.gz NQLDEJXKYGINMR-JTQLQIEISA-N -1 0 304.287 2.196 20 10 DECDRM CCOCc1ncn2c1CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233077946 802023210 /nfs/dbraw/zinc/02/32/10/802023210.db2.gz YFSPNUGXSDJYEP-UHFFFAOYSA-N -1 0 323.343 2.419 20 10 DECDRM NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415883 802111715 /nfs/dbraw/zinc/11/17/15/802111715.db2.gz MKPMIBJDQRPZHP-UHFFFAOYSA-N -1 0 317.311 2.044 20 10 DECDRM O=C1c2ccc(O[C@H]3C[C@H](O)C3)cc2C(=O)c2ccc([O-])cc21 ZINC001218361481 802171946 /nfs/dbraw/zinc/17/19/46/802171946.db2.gz HYMBKWVTUGNKMH-UMSPYCQHSA-N -1 0 310.305 2.070 20 10 DECDRM COC(=O)/C=C/c1ccc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593830905 955149223 /nfs/dbraw/zinc/14/92/23/955149223.db2.gz TVQVVAUTYWWTPN-SOFGYWHQSA-N -1 0 322.317 2.082 20 10 DECDRM O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC001594728449 957025088 /nfs/dbraw/zinc/02/50/88/957025088.db2.gz YIIHCZVDCJTVBN-RYUDHWBXSA-N -1 0 303.339 2.497 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(O)c1O ZINC001574351436 960992919 /nfs/dbraw/zinc/99/29/19/960992919.db2.gz YGKMGAREJQTRST-GFCCVEGCSA-N -1 0 319.288 2.101 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001595748108 982417457 /nfs/dbraw/zinc/41/74/57/982417457.db2.gz SVWHRFAIUDICFO-LBPRGKRZSA-N -1 0 312.341 2.127 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001596288634 983708438 /nfs/dbraw/zinc/70/84/38/983708438.db2.gz VKRXGYDVRRBDQT-UHFFFAOYSA-N -1 0 315.373 2.489 20 10 DECDRM C/C(=C\c1cccnc1)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001589005535 984965628 /nfs/dbraw/zinc/96/56/28/984965628.db2.gz IVIYQIMASWMIHF-ONOODXEBSA-N -1 0 324.336 2.364 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC001599868268 989306957 /nfs/dbraw/zinc/30/69/57/989306957.db2.gz USQHTHRRKCMLEV-DPIUTZRQSA-N -1 0 318.329 2.354 20 10 DECDRM CC(C)(C)c1cc(O)c(O)c(CN2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001590462336 990033711 /nfs/dbraw/zinc/03/37/11/990033711.db2.gz UDNNYPTXBAKYRD-ZDUSSCGKSA-N -1 0 323.389 2.071 20 10 DECDRM CC(C)(C)c1cnc(SCc2cn(CC(=O)[O-])nn2)s1 ZINC001590526704 990138052 /nfs/dbraw/zinc/13/80/52/990138052.db2.gz IXAPYZCFQZPKBD-UHFFFAOYSA-N -1 0 312.420 2.409 20 10 DECDRM CN(C)c1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001598317630 991305386 /nfs/dbraw/zinc/30/53/86/991305386.db2.gz JRTBOQIUMLYYFT-CSKARUKUSA-N -1 0 314.341 2.373 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001599597879 993772370 /nfs/dbraw/zinc/77/23/70/993772370.db2.gz AERFVTDUPVPEBI-SRVKXCTJSA-N -1 0 321.373 2.469 20 10 DECDRM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593208318 994223665 /nfs/dbraw/zinc/22/36/65/994223665.db2.gz HOTXROAXKZLNLG-CPCISQLKSA-N -1 0 307.268 2.054 20 10 DECDRM COC(=O)c1cc(OCc2occc2C(=O)[O-])ccc1N(C)C ZINC001598951300 998158920 /nfs/dbraw/zinc/15/89/20/998158920.db2.gz CRQPNMRIBIWYMR-UHFFFAOYSA-N -1 0 319.313 2.409 20 10 DECDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC001599570253 998352474 /nfs/dbraw/zinc/35/24/74/998352474.db2.gz ZDVMEEYOAPZVGN-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC001602309624 1069598789 /nfs/dbraw/zinc/59/87/89/1069598789.db2.gz XRRXSKCUQNLRCB-LLVKDONJSA-N -1 0 305.309 2.051 20 10 DECDRM C/C(=C\CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001602972953 1069813684 /nfs/dbraw/zinc/81/36/84/1069813684.db2.gz OBCYJDBBSRBFKI-LMMOQWNQSA-N -1 0 305.378 2.144 20 10 DECDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC001606181207 1071065031 /nfs/dbraw/zinc/06/50/31/1071065031.db2.gz JKQCBZBZBXCLIE-JDQXGDOCSA-N -1 0 306.318 2.042 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1O ZINC001607731349 1071539357 /nfs/dbraw/zinc/53/93/57/1071539357.db2.gz ZUHZKFUZHUDUDN-ZETCQYMHSA-N -1 0 322.342 2.052 20 10 DECDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1Cc2cccc(O)c2C1 ZINC001455036296 1057650197 /nfs/dbraw/zinc/65/01/97/1057650197.db2.gz FZCJJUQIDIDZRL-UHFFFAOYSA-N -1 0 300.270 2.162 20 10 DECDRM CN(Cc1ccccc1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001591147749 1076713912 /nfs/dbraw/zinc/71/39/12/1076713912.db2.gz UPBIPAIMRQGWPP-UHFFFAOYSA-N -1 0 317.299 2.487 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600087375 1077134829 /nfs/dbraw/zinc/13/48/29/1077134829.db2.gz DTCXEFFXEBNJRL-SECBINFHSA-N -1 0 319.313 2.058 20 10 DECDRM Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600199129 1077159117 /nfs/dbraw/zinc/15/91/17/1077159117.db2.gz XLGMVRJHWBZMMO-HYXAFXHYSA-N -1 0 317.297 2.027 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001600236548 1077167530 /nfs/dbraw/zinc/16/75/30/1077167530.db2.gz ZRPNEBOTQFWFST-AWEZNQCLSA-N -1 0 317.389 2.034 20 10 DECDRM Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)c(O)c1O ZINC001600340245 1077183328 /nfs/dbraw/zinc/18/33/28/1077183328.db2.gz PESZTMVPPFCFPX-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1ccc(/C=C\C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001600397706 1077193930 /nfs/dbraw/zinc/19/39/30/1077193930.db2.gz JUOAXFWJWYZLQG-HLRDLLSLSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])CC[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC001602005067 1077493105 /nfs/dbraw/zinc/49/31/05/1077493105.db2.gz UOEMOXMKVHLKHW-UHFFFAOYSA-N -1 0 320.389 2.038 20 10 DECDRM NC(=O)c1csc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC001651340002 1079803562 /nfs/dbraw/zinc/80/35/62/1079803562.db2.gz KGJURAFPAZMTLI-UHFFFAOYSA-N -1 0 315.757 2.030 20 10 DECDRM COc1c(F)cc(F)cc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566101 1086558364 /nfs/dbraw/zinc/55/83/64/1086558364.db2.gz CICGUXHISXNNQI-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM COc1cccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1F ZINC001212566253 1086560331 /nfs/dbraw/zinc/56/03/31/1086560331.db2.gz LBXMIHDPSPUZKR-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC000718340183 1091507728 /nfs/dbraw/zinc/50/77/28/1091507728.db2.gz TYIWVMOYXHAKDX-UWVGGRQHSA-N -1 0 302.143 2.267 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001275362838 1091692161 /nfs/dbraw/zinc/69/21/61/1091692161.db2.gz RJGSRXISNCLGNK-UHFFFAOYSA-N -1 0 319.355 2.459 20 10 DECDRM CC(=O)N1CCC2(CN(Cc3cc(F)cc(Cl)c3[O-])C2)C1 ZINC001237815177 1138800542 /nfs/dbraw/zinc/80/05/42/1138800542.db2.gz WQYIZCYZGIGOCV-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM CCOCc1cc(CNCC(F)(F)C(=O)[O-])ccc1OC ZINC001334841401 1138927646 /nfs/dbraw/zinc/92/76/46/1138927646.db2.gz LEXCFPZUOZURPR-UHFFFAOYSA-N -1 0 303.305 2.041 20 10 DECDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001340463312 1143351678 /nfs/dbraw/zinc/35/16/78/1143351678.db2.gz QTTCJSBBGUDARW-OCCSQVGLSA-N -1 0 319.405 2.147 20 10 DECDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1O ZINC001260291619 1144184170 /nfs/dbraw/zinc/18/41/70/1144184170.db2.gz ODUXIOZNQFHPAS-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM CC[C@H](C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCCC2 ZINC001260725787 1144200441 /nfs/dbraw/zinc/20/04/41/1144200441.db2.gz VRTDVACUGBKPPU-QMMMGPOBSA-N -1 0 316.448 2.266 20 10 DECDRM O=S(=O)(Nc1cc(Cl)c([O-])cc1Cl)c1cn[nH]c1 ZINC001260960658 1144213146 /nfs/dbraw/zinc/21/31/46/1144213146.db2.gz DFYPDBCUYKXBFX-UHFFFAOYSA-N -1 0 308.146 2.223 20 10 DECDRM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c(F)ccc(O)c1[O-] ZINC001306853157 1146836360 /nfs/dbraw/zinc/83/63/60/1146836360.db2.gz MLBXDJANNSZBRV-UHFFFAOYSA-N -1 0 303.249 2.071 20 10 DECDRM O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294706463 224181527 /nfs/dbraw/zinc/18/15/27/224181527.db2.gz OMINXADSLJTKFB-NSHDSACASA-N -1 0 312.772 2.381 20 10 DECDRM CS(=O)(=O)CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000292812823 403378641 /nfs/dbraw/zinc/37/86/41/403378641.db2.gz OYEHXNSUIRAKEC-UHFFFAOYSA-N -1 0 317.838 2.302 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294377488 403717624 /nfs/dbraw/zinc/71/76/24/403717624.db2.gz UQJSBRGWWDBCJM-CYBMUJFWSA-N -1 0 305.708 2.272 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000375239610 404719614 /nfs/dbraw/zinc/71/96/14/404719614.db2.gz VDJPCJKGSVMMAQ-LBPRGKRZSA-N -1 0 317.216 2.215 20 10 DECDRM COc1cncc(/C=C\C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000493816323 405571974 /nfs/dbraw/zinc/57/19/74/405571974.db2.gz QMWXBTYOMFXNOZ-IDTUSYRASA-N -1 0 324.336 2.318 20 10 DECDRM Cc1ncccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000728910040 600109727 /nfs/dbraw/zinc/10/97/27/600109727.db2.gz LCUNTDIYCJVLAI-DHZHZOJOSA-N -1 0 322.411 2.456 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000737204490 600623002 /nfs/dbraw/zinc/62/30/02/600623002.db2.gz SPCKZUIYORAWML-OAHLLOKOSA-N -1 0 322.405 2.137 20 10 DECDRM CC[C@@H]1COCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000314216184 600626205 /nfs/dbraw/zinc/62/62/05/600626205.db2.gz AQYGVBLZLFJNJF-FVOPLDGLSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000739642175 600849519 /nfs/dbraw/zinc/84/95/19/600849519.db2.gz NWUCEVTYSSRILH-BTDICHCPSA-N -1 0 309.325 2.095 20 10 DECDRM CN(C[C@@H]1CCOC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000399598214 601251616 /nfs/dbraw/zinc/25/16/16/601251616.db2.gz NIVZBKJKTWPAGW-FHMRSRPSSA-N -1 0 306.318 2.165 20 10 DECDRM COC[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000831666101 601380844 /nfs/dbraw/zinc/38/08/44/601380844.db2.gz GYFZEQKJKLBEFB-HOSRBBHYSA-N -1 0 306.318 2.308 20 10 DECDRM CCCCC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826774444 603032146 /nfs/dbraw/zinc/03/21/46/603032146.db2.gz GOWIXIYSLPZNMJ-CQSZACIVSA-N -1 0 307.394 2.368 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2CCC1OCCCO1 ZINC000832715175 604113505 /nfs/dbraw/zinc/11/35/05/604113505.db2.gz PIUQUWCKNZUOMM-UHFFFAOYSA-N -1 0 320.389 2.360 20 10 DECDRM C[C@@H](CC(=O)NCc1ccccc1O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824665282 604580506 /nfs/dbraw/zinc/58/05/06/604580506.db2.gz TXIQQPSLDHAWQB-JSGCOSHPSA-N -1 0 320.389 2.425 20 10 DECDRM CC(C)(O)[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833463579 605056017 /nfs/dbraw/zinc/05/60/17/605056017.db2.gz INWIGIKDCIUXIG-IQCBXXCUSA-N -1 0 320.345 2.432 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775735837 625481801 /nfs/dbraw/zinc/48/18/01/625481801.db2.gz ZJGPANQDADYXAH-CYBMUJFWSA-N -1 0 305.708 2.272 20 10 DECDRM O=C(NCCc1ccc(O)c(O)c1)c1ccc([O-])c(Cl)c1 ZINC000120427241 635839983 /nfs/dbraw/zinc/83/99/83/635839983.db2.gz KYSGLIWYFKMTDD-UHFFFAOYSA-N -1 0 307.733 2.429 20 10 DECDRM CC(C)OC[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000894483921 637061942 /nfs/dbraw/zinc/06/19/42/637061942.db2.gz MFIVMCQYAQIFCA-CYBMUJFWSA-N -1 0 301.333 2.296 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H](C)[S@]1=O ZINC000894747018 637189184 /nfs/dbraw/zinc/18/91/84/637189184.db2.gz GZAPCWDZMKKIPM-FRKIPOMISA-N -1 0 303.374 2.402 20 10 DECDRM COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F ZINC000765054423 640731742 /nfs/dbraw/zinc/73/17/42/640731742.db2.gz NSMCDSSCCFKKGO-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM CS(=O)(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775716988 642084323 /nfs/dbraw/zinc/08/43/23/642084323.db2.gz KRMALVSSHUIEOU-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-] ZINC000776435052 642172654 /nfs/dbraw/zinc/17/26/54/642172654.db2.gz XHCASDNDAPVDIO-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C(N)=O)C1 ZINC000779203535 642471541 /nfs/dbraw/zinc/47/15/41/642471541.db2.gz DHPRADOKFBSPNK-PELKAZGASA-N -1 0 300.761 2.271 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000780576809 642644734 /nfs/dbraw/zinc/64/47/34/642644734.db2.gz LAHPGMUBXQQICY-HNNXBMFYSA-N -1 0 321.421 2.360 20 10 DECDRM COc1cc(O)ccc1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000901704334 642749238 /nfs/dbraw/zinc/74/92/38/642749238.db2.gz QXNPVMOGENIVLA-LBPRGKRZSA-N -1 0 317.407 2.204 20 10 DECDRM COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000785408072 643229782 /nfs/dbraw/zinc/22/97/82/643229782.db2.gz PNTNKCPGIPTIFZ-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000843037286 650873278 /nfs/dbraw/zinc/87/32/78/650873278.db2.gz WIDAUDURSBZORA-VHSXEESVSA-N -1 0 324.333 2.159 20 10 DECDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000795549065 644595342 /nfs/dbraw/zinc/59/53/42/644595342.db2.gz PHJPQFZXELIMDW-UHFFFAOYSA-N -1 0 324.387 2.246 20 10 DECDRM O=C(NCc1cccc(Br)c1O)[C@@H]1CCC(=O)C1 ZINC000843867414 651041631 /nfs/dbraw/zinc/04/16/31/651041631.db2.gz LWPCQNKTKWEVNJ-MRVPVSSYSA-N -1 0 312.163 2.140 20 10 DECDRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836519 645995170 /nfs/dbraw/zinc/99/51/70/645995170.db2.gz ZDWZBOUHYMSZHY-DTWKUNHWSA-N -1 0 318.156 2.124 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@H]1c1ncon1 ZINC000816565392 647152576 /nfs/dbraw/zinc/15/25/76/647152576.db2.gz NRQDQTCHJPJHMM-NSHDSACASA-N -1 0 313.716 2.141 20 10 DECDRM COc1c(O)c(C[NH+]2CC(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000822521252 648224377 /nfs/dbraw/zinc/22/43/77/648224377.db2.gz ZDWUNBHFHWSSDH-UHFFFAOYSA-N -1 0 302.277 2.396 20 10 DECDRM CC[C@]1(O)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209231 651092316 /nfs/dbraw/zinc/09/23/16/651092316.db2.gz IXXZEMZXYQEBGN-VOKGJARPSA-N -1 0 306.318 2.044 20 10 DECDRM CC[C@@]1(O)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209229 651092462 /nfs/dbraw/zinc/09/24/62/651092462.db2.gz IXXZEMZXYQEBGN-CSPWOOARSA-N -1 0 306.318 2.044 20 10 DECDRM CN(C[C@@H]1CCC[C@@H]1O)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213974 651094439 /nfs/dbraw/zinc/09/44/39/651094439.db2.gz BWMDDBQIURPUGL-UXWAYSASSA-N -1 0 320.345 2.290 20 10 DECDRM COc1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)ccn1 ZINC000846280257 651320178 /nfs/dbraw/zinc/32/01/78/651320178.db2.gz WFEIUUGJFBQYOJ-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000846701940 651347144 /nfs/dbraw/zinc/34/71/44/651347144.db2.gz JSPNRATVYSVNAU-MXWKQRLJSA-N -1 0 307.346 2.079 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000846706541 651347489 /nfs/dbraw/zinc/34/74/89/651347489.db2.gz MDVPVJQILHXPPM-UHFFFAOYSA-N -1 0 310.369 2.399 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000848592994 651476934 /nfs/dbraw/zinc/47/69/34/651476934.db2.gz URIZAKQBANKFBN-MFKMUULPSA-N -1 0 324.377 2.118 20 10 DECDRM CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000848641127 651481516 /nfs/dbraw/zinc/48/15/16/651481516.db2.gz YMJIYDBEWQUYQZ-SNVBAGLBSA-N -1 0 316.741 2.400 20 10 DECDRM COc1ccc(N2CC[C@@H](Nc3ccc(C(=O)[O-])cn3)C2)cc1 ZINC000852909599 652479051 /nfs/dbraw/zinc/47/90/51/652479051.db2.gz ZLSSBTDDWPEENS-CYBMUJFWSA-N -1 0 313.357 2.479 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000852942086 652481671 /nfs/dbraw/zinc/48/16/71/652481671.db2.gz FFUSOAWLBONEMD-UHFFFAOYSA-N -1 0 302.374 2.132 20 10 DECDRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000929042455 693884863 /nfs/dbraw/zinc/88/48/63/693884863.db2.gz FGZNUUJDSGPEFD-NWDGAFQWSA-N -1 0 319.405 2.461 20 10 DECDRM O=C([O-])c1cnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000864510755 686740453 /nfs/dbraw/zinc/74/04/53/686740453.db2.gz DJVJDTLCLDZMHA-UHFFFAOYSA-N -1 0 319.386 2.290 20 10 DECDRM COC1(CS(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)CCC1 ZINC000872371276 688989431 /nfs/dbraw/zinc/98/94/31/688989431.db2.gz LHQOOZICZLIKNN-UHFFFAOYSA-N -1 0 323.773 2.496 20 10 DECDRM CCS(=O)(=O)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877480995 690125986 /nfs/dbraw/zinc/12/59/86/690125986.db2.gz RCPSBABQQRKECZ-UHFFFAOYSA-N -1 0 319.373 2.070 20 10 DECDRM O=C1CN(Cc2ccccc2)[C@H](c2ccc(F)c(F)c2[O-])N1 ZINC000877855738 690249453 /nfs/dbraw/zinc/24/94/53/690249453.db2.gz UMOPXBYLTFIFOU-MRXNPFEDSA-N -1 0 304.296 2.301 20 10 DECDRM O=C([O-])c1cncc(NCc2cc(Br)ccc2O)n1 ZINC001171174112 790890324 /nfs/dbraw/zinc/89/03/24/790890324.db2.gz IWQQUVNFAUPXQW-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM Cc1ccc([C@H](C)NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nc1 ZINC001147889293 791638818 /nfs/dbraw/zinc/63/88/18/791638818.db2.gz FFVPIVKLQLUTFE-ZDUSSCGKSA-N -1 0 322.368 2.360 20 10 DECDRM CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C1CC(F)(F)C1 ZINC001147878621 791645854 /nfs/dbraw/zinc/64/58/54/791645854.db2.gz MHUKNFQEQBCGMB-UHFFFAOYSA-N -1 0 307.300 2.035 20 10 DECDRM Nc1ccc(N(CCO)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176676210 794471968 /nfs/dbraw/zinc/47/19/68/794471968.db2.gz BGWZIOLKXJKOPV-UHFFFAOYSA-N -1 0 317.301 2.006 20 10 DECDRM COc1ccc(CNC(=O)c2s[n-]c(=O)c2Cl)c(O)c1 ZINC001139031941 796311820 /nfs/dbraw/zinc/31/18/20/796311820.db2.gz GZTDANMMGBVITA-UHFFFAOYSA-N -1 0 314.750 2.146 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@H](F)C(=O)C1 ZINC001139126880 796327943 /nfs/dbraw/zinc/32/79/43/796327943.db2.gz SWKBOSWUPXLBMM-CYBMUJFWSA-N -1 0 319.332 2.310 20 10 DECDRM CC(C)(C)OC(=O)NC1CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685596 796409880 /nfs/dbraw/zinc/40/98/80/796409880.db2.gz OYMMZODFEZADLN-UHFFFAOYSA-N -1 0 314.332 2.379 20 10 DECDRM CCOC(=O)[C@H]1CSCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139686580 796410125 /nfs/dbraw/zinc/41/01/25/796410125.db2.gz BGNRCCKQZNTLMX-GFCCVEGCSA-N -1 0 317.357 2.151 20 10 DECDRM CCN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1O ZINC001231454978 801669562 /nfs/dbraw/zinc/66/95/62/801669562.db2.gz LHKLTAMKKQGECQ-UHFFFAOYSA-N -1 0 309.362 2.254 20 10 DECDRM Nc1ccc(N(CCO)c2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001215612930 801883510 /nfs/dbraw/zinc/88/35/10/801883510.db2.gz GHBSYIMNZALNEP-UHFFFAOYSA-N -1 0 308.284 2.376 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)CN1CCOCC1 ZINC001233496378 802134060 /nfs/dbraw/zinc/13/40/60/802134060.db2.gz FUFPYACEEIHJMG-GFCCVEGCSA-N -1 0 323.389 2.180 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1CCOC1=O ZINC001227937837 803297253 /nfs/dbraw/zinc/29/72/53/803297253.db2.gz NUGHAFHZUBWCLO-ZDUSSCGKSA-N -1 0 314.293 2.023 20 10 DECDRM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000034684016 957192794 /nfs/dbraw/zinc/19/27/94/957192794.db2.gz CCDWGOMCCYESDL-UHFFFAOYSA-N -1 0 316.357 2.309 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC(=O)[O-])c1 ZINC001594300613 957903030 /nfs/dbraw/zinc/90/30/30/957903030.db2.gz RQGMOCIMOBDSQP-UHFFFAOYSA-N -1 0 314.341 2.111 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC(OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000398823636 973174525 /nfs/dbraw/zinc/17/45/25/973174525.db2.gz DWXSSFZZKZILIW-RQOWECAXSA-N -1 0 314.244 2.120 20 10 DECDRM CCN(CC)c1ccc(CNc2ccnc(C(=O)[O-])n2)cc1 ZINC001596288593 983708435 /nfs/dbraw/zinc/70/84/35/983708435.db2.gz QYJMFWALQWDJMG-UHFFFAOYSA-N -1 0 300.362 2.055 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1cncc(C(=O)[O-])n1 ZINC001596364969 983856833 /nfs/dbraw/zinc/85/68/33/983856833.db2.gz RKXBIBYVIBITDC-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM COc1nc(CN(C)c2ccc(OCC(=O)[O-])cc2)ccc1C ZINC001599730914 991709046 /nfs/dbraw/zinc/70/90/46/991709046.db2.gz YTLHVPVMFIPNCX-UHFFFAOYSA-N -1 0 316.357 2.498 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001602323156 1069605230 /nfs/dbraw/zinc/60/52/30/1069605230.db2.gz SCLOYJMYZUBZJK-UHFFFAOYSA-N -1 0 312.281 2.162 20 10 DECDRM O=C([O-])c1cncnc1NCc1cc(Br)ccc1O ZINC001602543143 1069669081 /nfs/dbraw/zinc/66/90/81/1069669081.db2.gz GGEOXNRDLVTJEW-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2Cc3cccc(O)c3C2)n1 ZINC001607589437 1071485928 /nfs/dbraw/zinc/48/59/28/1071485928.db2.gz WTRDWOWRUUPRSM-UHFFFAOYSA-N -1 0 315.285 2.222 20 10 DECDRM Cc1ccc(C(=O)[O-])c2c1N(C(=O)/C=C/c1cnccn1)CCC2 ZINC001607741114 1071541975 /nfs/dbraw/zinc/54/19/75/1071541975.db2.gz UHWRQCFNWGIESC-FNORWQNLSA-N -1 0 323.352 2.476 20 10 DECDRM Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1C(=O)[O-] ZINC001607733359 1071539520 /nfs/dbraw/zinc/53/95/20/1071539520.db2.gz IIPJDFDWUNYDQK-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC001621417490 1078174270 /nfs/dbraw/zinc/17/42/70/1078174270.db2.gz IDXBOFFZBQOJAG-XHNCKOQMSA-N -1 0 300.761 2.282 20 10 DECDRM Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000037375572 1078200487 /nfs/dbraw/zinc/20/04/87/1078200487.db2.gz GPEFAHAGHGEHDI-UHFFFAOYSA-N -1 0 306.372 2.074 20 10 DECDRM CCC(CC)(CNC(=O)NCc1cc(C)ccc1O)C(=O)[O-] ZINC001521164507 1069213433 /nfs/dbraw/zinc/21/34/33/1069213433.db2.gz KFHIVEHJFWLOCP-UHFFFAOYSA-N -1 0 308.378 2.391 20 10 DECDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1c(F)ccc(O)c1[O-] ZINC001648577986 1075002463 /nfs/dbraw/zinc/00/24/63/1075002463.db2.gz BVIXXJGBQNEKOK-UHFFFAOYSA-N -1 0 316.288 2.374 20 10 DECDRM Cc1cc(Cl)cc(CN[C@H](C(=O)[O-])c2ccn(C)n2)c1O ZINC001600219094 1077164825 /nfs/dbraw/zinc/16/48/25/1077164825.db2.gz PFEXCOYSMJIEKP-LBPRGKRZSA-N -1 0 309.753 2.003 20 10 DECDRM Cc1n[nH]cc1CN(C)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC001600675230 1077246299 /nfs/dbraw/zinc/24/62/99/1077246299.db2.gz YPINRCYCHCDUNS-XQRVVYSFSA-N -1 0 316.317 2.361 20 10 DECDRM O=C([O-])c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001601531097 1077407685 /nfs/dbraw/zinc/40/76/85/1077407685.db2.gz KHGNRZXKDIDZPB-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM O=C([O-])CN(CCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC001602056201 1077500777 /nfs/dbraw/zinc/50/07/77/1077500777.db2.gz ZRGFAAIDTWSYPG-UHFFFAOYSA-N -1 0 305.355 2.223 20 10 DECDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1O ZINC001607921390 1077560405 /nfs/dbraw/zinc/56/04/05/1077560405.db2.gz WGKAKLLHFVKNTQ-JTQLQIEISA-N -1 0 303.314 2.412 20 10 DECDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)C1=CC(=O)CS1 ZINC001608487970 1077646159 /nfs/dbraw/zinc/64/61/59/1077646159.db2.gz DWXJNRNXCBYJJL-LLVKDONJSA-N -1 0 309.318 2.019 20 10 DECDRM O=C([O-])[C@H](CC1CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001608534799 1077651529 /nfs/dbraw/zinc/65/15/29/1077651529.db2.gz PMWDQOUGDWWZKZ-NSHDSACASA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])C12CCC(C(=O)N3Cc4cccc(O)c4C3)(CC1)C2 ZINC001608582644 1077659470 /nfs/dbraw/zinc/65/94/70/1077659470.db2.gz KUSIKSMCHMXJAB-UHFFFAOYSA-N -1 0 301.342 2.270 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC001610104759 1077980578 /nfs/dbraw/zinc/98/05/78/1077980578.db2.gz FSDYDOGHUQUPDW-UHFFFAOYSA-N -1 0 319.405 2.149 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001610121677 1077983406 /nfs/dbraw/zinc/98/34/06/1077983406.db2.gz CLCZLYWBRZGWSN-UHFFFAOYSA-N -1 0 301.346 2.051 20 10 DECDRM COCc1cc(NC(=O)c2cccc(O)c2O)cc(C(=O)[O-])c1 ZINC001610270111 1077997949 /nfs/dbraw/zinc/99/79/49/1077997949.db2.gz HWDIBHYKYUQNRU-UHFFFAOYSA-N -1 0 317.297 2.195 20 10 DECDRM CC(=O)N1CCCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807540 1080493311 /nfs/dbraw/zinc/49/33/11/1080493311.db2.gz LNWSKEQYCYKNLB-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM O=C1NCCN(Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC001664902434 1080977716 /nfs/dbraw/zinc/97/77/16/1080977716.db2.gz WPXKKJJKLSGIOV-UHFFFAOYSA-N -1 0 304.296 2.420 20 10 DECDRM O=C1CCc2ccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)cc21 ZINC001212566108 1086558278 /nfs/dbraw/zinc/55/82/78/1086558278.db2.gz CTOMKYGMTFTSDD-UHFFFAOYSA-N -1 0 309.281 2.339 20 10 DECDRM Cn1ncc2ccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)cc21 ZINC001212566469 1086560083 /nfs/dbraw/zinc/56/00/83/1086560083.db2.gz WBKLTMYIVGHAST-UHFFFAOYSA-N -1 0 309.285 2.097 20 10 DECDRM COc1ccc(CN2C[C@@H](F)C[C@H](CO)C2)c([O-])c1Cl ZINC001236802113 1138433545 /nfs/dbraw/zinc/43/35/45/1138433545.db2.gz OTVDJKNXMYDWSE-ONGXEEELSA-N -1 0 303.761 2.207 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001237798805 1138791394 /nfs/dbraw/zinc/79/13/94/1138791394.db2.gz COIZLNYYCBIPIU-CUOATXAZSA-N -1 0 315.772 2.156 20 10 DECDRM CC(C)C(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804152 1138794826 /nfs/dbraw/zinc/79/48/26/1138794826.db2.gz YFJFKSJXOANCBZ-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM CCc1nnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237806840 1138795731 /nfs/dbraw/zinc/79/57/31/1138795731.db2.gz WIKBFKPMBWEIIX-UHFFFAOYSA-N -1 0 310.760 2.354 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCCCO1 ZINC001251387965 1142426410 /nfs/dbraw/zinc/42/64/10/1142426410.db2.gz UHHQSXIISZDAFV-UHFFFAOYSA-N -1 0 312.174 2.415 20 10 DECDRM Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001259826508 1144139067 /nfs/dbraw/zinc/13/90/67/1144139067.db2.gz WSEFSFSKYDCRLM-UHFFFAOYSA-N -1 0 322.173 2.233 20 10 DECDRM Cc1sc([N-]S(=O)(=O)c2ccccc2)c(C(N)=O)c1C ZINC000005924853 181296623 /nfs/dbraw/zinc/29/66/23/181296623.db2.gz OKMATCWWYZSSQA-UHFFFAOYSA-N -1 0 310.400 2.265 20 10 DECDRM CCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000185014917 402317328 /nfs/dbraw/zinc/31/73/28/402317328.db2.gz VYSORNVTOGNMNG-AWEZNQCLSA-N -1 0 315.373 2.472 20 10 DECDRM CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177159367 402376252 /nfs/dbraw/zinc/37/62/52/402376252.db2.gz YPKLTBBAZMWQHE-NSHDSACASA-N -1 0 324.808 2.206 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@@]12CCOC2 ZINC000294555720 403722652 /nfs/dbraw/zinc/72/26/52/403722652.db2.gz FNXUSTSOHBYMGD-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[S@](=O)C1 ZINC000365446205 404662985 /nfs/dbraw/zinc/66/29/85/404662985.db2.gz HKFIVWIKUXAVBY-HOGDKLEQSA-N -1 0 305.802 2.385 20 10 DECDRM Cc1cc(C(=O)NCCCCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000773232778 598168208 /nfs/dbraw/zinc/16/82/08/598168208.db2.gz KMWKUIGAMLHBEN-UHFFFAOYSA-N -1 0 315.373 2.474 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)CCSCC(=O)[O-] ZINC000737105776 599962880 /nfs/dbraw/zinc/96/28/80/599962880.db2.gz CXSHMYBWHORYEC-UHFFFAOYSA-N -1 0 324.446 2.309 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000738044686 600452033 /nfs/dbraw/zinc/45/20/33/600452033.db2.gz QXFMZWARCPCPHX-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM O=C([O-])CCN(C(=O)/C=C/c1cnccn1)c1cccc(F)c1 ZINC000739713516 601027136 /nfs/dbraw/zinc/02/71/36/601027136.db2.gz YBMVNADKACZYLV-SNAWJCMRSA-N -1 0 315.304 2.137 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2)c1O ZINC000738104119 602667922 /nfs/dbraw/zinc/66/79/22/602667922.db2.gz HDOLILUPCVVDEK-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC[C@H](N(C)C(=O)[O-])C2)c1O ZINC000823626714 604223676 /nfs/dbraw/zinc/22/36/76/604223676.db2.gz BDCGOWRJRAPALL-ZDUSSCGKSA-N -1 0 324.352 2.308 20 10 DECDRM O=C([O-])NC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000834219474 605995535 /nfs/dbraw/zinc/99/55/35/605995535.db2.gz GYSGLCREUKZTCJ-SNVBAGLBSA-N -1 0 302.733 2.417 20 10 DECDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000833830225 606074160 /nfs/dbraw/zinc/07/41/60/606074160.db2.gz MHVASDCLGLVUGZ-WBMJQRKESA-N -1 0 306.362 2.225 20 10 DECDRM CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000314272345 625799581 /nfs/dbraw/zinc/79/95/81/625799581.db2.gz JWKFZLONYJKZKF-GQCTYLIASA-N -1 0 306.318 2.308 20 10 DECDRM C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000894595143 637126214 /nfs/dbraw/zinc/12/62/14/637126214.db2.gz AINVTNSGFFZRRC-LLVKDONJSA-N -1 0 313.344 2.440 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000895118379 637590338 /nfs/dbraw/zinc/59/03/38/637590338.db2.gz HNYQYRLVTSPPLL-DJLDLDEBSA-N -1 0 300.761 2.282 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CCC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000321733987 640359009 /nfs/dbraw/zinc/35/90/09/640359009.db2.gz UDWDKKWUPNBZPV-HNNXBMFYSA-N -1 0 324.333 2.303 20 10 DECDRM CN(Cc1nnc2n1CCC2)Cc1cc(Cl)cc(F)c1[O-] ZINC000775645812 642071416 /nfs/dbraw/zinc/07/14/16/642071416.db2.gz QSHSWFILAIEWGH-UHFFFAOYSA-N -1 0 310.760 2.354 20 10 DECDRM O=C(COC(=O)c1c(F)cc([O-])cc1F)c1ccc(O)c(O)c1 ZINC000783716093 643041001 /nfs/dbraw/zinc/04/10/01/643041001.db2.gz MJUIVVCIBCZHIQ-UHFFFAOYSA-N -1 0 324.235 2.121 20 10 DECDRM O=C([O-])c1coc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000910336940 645413530 /nfs/dbraw/zinc/41/35/30/645413530.db2.gz VPUOGJRUXKNYOV-LBPRGKRZSA-N -1 0 318.329 2.264 20 10 DECDRM CS[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359958 645683984 /nfs/dbraw/zinc/68/39/84/645683984.db2.gz IWMAMCBRHBRUIA-MRVPVSSYSA-N -1 0 317.794 2.210 20 10 DECDRM O=C(CCc1nnc[nH]1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836884 645995571 /nfs/dbraw/zinc/99/55/71/645995571.db2.gz SQCUBIURJGOVAC-UHFFFAOYSA-N -1 0 315.160 2.066 20 10 DECDRM CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)OC ZINC000817355988 647274192 /nfs/dbraw/zinc/27/41/92/647274192.db2.gz ANTVDVYCAOKWAF-GFCCVEGCSA-N -1 0 317.407 2.346 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817874711 647370184 /nfs/dbraw/zinc/37/01/84/647370184.db2.gz NUEPEIVIRXZFPW-SKDRFNHKSA-N -1 0 309.337 2.277 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)c2cc(=O)n(C)[n-]2)cc1 ZINC000819973883 647753927 /nfs/dbraw/zinc/75/39/27/647753927.db2.gz DLDXAAMQGIVIAS-UHFFFAOYSA-N -1 0 316.405 2.244 20 10 DECDRM COCCN(CCF)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000827053574 648965021 /nfs/dbraw/zinc/96/50/21/648965021.db2.gz BDURJKLSMYSHPQ-UHFFFAOYSA-N -1 0 306.721 2.372 20 10 DECDRM C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000848557527 651470486 /nfs/dbraw/zinc/47/04/86/651470486.db2.gz KHVZTHQORJFFHB-UFBFGSQYSA-N -1 0 324.331 2.491 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000852950547 652483487 /nfs/dbraw/zinc/48/34/87/652483487.db2.gz JKLWENPIPXYBGQ-UHFFFAOYSA-N -1 0 304.390 2.404 20 10 DECDRM O=C([O-])[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000852952473 652483841 /nfs/dbraw/zinc/48/38/41/652483841.db2.gz XUHJYAYEUSEXFB-HNNXBMFYSA-N -1 0 302.374 2.014 20 10 DECDRM COC[C@]1(C)CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000862552004 686322008 /nfs/dbraw/zinc/32/20/08/686322008.db2.gz RFQNZIMEWOQDGY-AWEZNQCLSA-N -1 0 303.761 2.422 20 10 DECDRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000877464207 690120470 /nfs/dbraw/zinc/12/04/70/690120470.db2.gz HYLCBXLJOOOZJB-UDZFHETQSA-N -1 0 311.328 2.444 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000877521881 690139413 /nfs/dbraw/zinc/13/94/13/690139413.db2.gz KCERESQMURLHJA-GXSJLCMTSA-N -1 0 319.373 2.068 20 10 DECDRM COC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001347700915 1151091992 /nfs/dbraw/zinc/09/19/92/1151091992.db2.gz CQBLSRLFKVRNEC-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM Cc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1C(=O)[O-] ZINC001211603876 777530753 /nfs/dbraw/zinc/53/07/53/777530753.db2.gz ILZGAXOEZPMRHX-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM O=C1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@H]1F ZINC001144306609 790854286 /nfs/dbraw/zinc/85/42/86/790854286.db2.gz IXMRHOMOMAFKIX-JTQLQIEISA-N -1 0 320.133 2.407 20 10 DECDRM O=C(Nc1cccn2nccc12)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880867 791646690 /nfs/dbraw/zinc/64/66/90/791646690.db2.gz JPLZKVBLJQSDFS-UHFFFAOYSA-N -1 0 319.324 2.066 20 10 DECDRM CC[C@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001121918061 795704283 /nfs/dbraw/zinc/70/42/83/795704283.db2.gz VYQZMENWSLOJPJ-CQSZACIVSA-N -1 0 321.421 2.395 20 10 DECDRM Cc1ccc(CNC(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001185418651 796262093 /nfs/dbraw/zinc/26/20/93/796262093.db2.gz RAGACRWTIUPQCD-UHFFFAOYSA-N -1 0 314.341 2.088 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2nccc2C1 ZINC001139133629 796331028 /nfs/dbraw/zinc/33/10/28/796331028.db2.gz JVCZUUVEUUEHLP-UHFFFAOYSA-N -1 0 311.341 2.019 20 10 DECDRM COCc1noc2c1CN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682309 796410302 /nfs/dbraw/zinc/41/03/02/796410302.db2.gz WALSMQAXMJGIDS-UHFFFAOYSA-N -1 0 310.300 2.363 20 10 DECDRM Cc1oncc1S(=O)(=O)[N-]c1nc(-c2ccncc2)cs1 ZINC001187322107 796517864 /nfs/dbraw/zinc/51/78/64/796517864.db2.gz VDOZRKZWCZOPOK-UHFFFAOYSA-N -1 0 322.371 2.302 20 10 DECDRM Nc1ccc(N(CCO)c2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001203324130 800037252 /nfs/dbraw/zinc/03/72/52/800037252.db2.gz DROXHRIAWKKBDA-UHFFFAOYSA-N -1 0 308.284 2.376 20 10 DECDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC001209976942 801315375 /nfs/dbraw/zinc/31/53/75/801315375.db2.gz URRLXMFZAOFALN-UHFFFAOYSA-N -1 0 308.359 2.092 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cc(F)c([O-])c(F)c1 ZINC001213381813 801601468 /nfs/dbraw/zinc/60/14/68/801601468.db2.gz IYNGRERYWYRGAM-UHFFFAOYSA-N -1 0 314.313 2.350 20 10 DECDRM CC(C)c1cc([N-]S(=O)(=O)c2cncc(N)c2)ccc1O ZINC001215845200 801911536 /nfs/dbraw/zinc/91/15/36/801911536.db2.gz XDFQIBBSRWSSBK-UHFFFAOYSA-N -1 0 307.375 2.294 20 10 DECDRM CCN(CC(=O)OC)Cc1c([O-])cc(Br)cc1F ZINC001233032342 802008811 /nfs/dbraw/zinc/00/88/11/802008811.db2.gz DWVWNDLMOHISIK-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000318955115 950942172 /nfs/dbraw/zinc/94/21/72/950942172.db2.gz AEPHHWKGVVUJMM-UONOGXRCSA-N -1 0 304.390 2.212 20 10 DECDRM C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C(=O)[O-] ZINC001589328774 953935528 /nfs/dbraw/zinc/93/55/28/953935528.db2.gz JBHSSGYJZUJMEC-JOYOIKCWSA-N -1 0 318.333 2.174 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594312281 958046652 /nfs/dbraw/zinc/04/66/52/958046652.db2.gz ZPUGWRJPZCJTNF-APHBMKBZSA-N -1 0 318.417 2.219 20 10 DECDRM CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(F)c1[O-] ZINC000715763429 977781867 /nfs/dbraw/zinc/78/18/67/977781867.db2.gz QVNQLVUGDGINDQ-UHFFFAOYSA-N -1 0 306.131 2.200 20 10 DECDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001589704117 987808113 /nfs/dbraw/zinc/80/81/13/987808113.db2.gz AIKRTOYUYGLHTE-NSHDSACASA-N -1 0 320.349 2.468 20 10 DECDRM CN(C)c1ccc(OCc2nc(C(F)F)no2)cc1C(=O)[O-] ZINC001598330252 991370075 /nfs/dbraw/zinc/37/00/75/991370075.db2.gz PPSXRAHLKZWRES-UHFFFAOYSA-N -1 0 313.260 2.350 20 10 DECDRM CC(C)[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nncn1C ZINC001593209054 994233604 /nfs/dbraw/zinc/23/36/04/994233604.db2.gz HPQWMCVYSCDJBN-IINYFYTJSA-N -1 0 318.377 2.267 20 10 DECDRM O=C([O-])c1ccc2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCC2 ZINC001602423371 1069634204 /nfs/dbraw/zinc/63/42/04/1069634204.db2.gz FPLIFSSMPMHMAF-UTCJRWHESA-N -1 0 324.336 2.478 20 10 DECDRM Cc1nn(C)c2nccc(OCc3cc(C(=O)[O-])oc3C)c12 ZINC001610578997 1078046265 /nfs/dbraw/zinc/04/62/65/1078046265.db2.gz VCXMZNWKCGXTIR-UHFFFAOYSA-N -1 0 301.302 2.455 20 10 DECDRM CN(C)c1ccc(OCc2cc(Cl)n(C)n2)cc1C(=O)[O-] ZINC001606060814 1071032223 /nfs/dbraw/zinc/03/22/23/1071032223.db2.gz OYNCCPBUXGRZON-UHFFFAOYSA-N -1 0 309.753 2.417 20 10 DECDRM COc1ccc(N(C)Cc2cnc(C(=O)[O-])cn2)cc1Cl ZINC001607267756 1071389104 /nfs/dbraw/zinc/38/91/04/1071389104.db2.gz IGOGHEJINBAXKR-UHFFFAOYSA-N -1 0 307.737 2.473 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1O ZINC001607323516 1071409745 /nfs/dbraw/zinc/40/97/45/1071409745.db2.gz LIEUDNZDHVCPAU-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM Cc1cc(Cn2cnc(C(=O)[O-])n2)ccc1N1CCCCC1 ZINC001607657601 1071516093 /nfs/dbraw/zinc/51/60/93/1071516093.db2.gz CZALBIRDVSQPKQ-UHFFFAOYSA-N -1 0 300.362 2.323 20 10 DECDRM Cc1nc2nc(C)cc(Sc3ncc(C(=O)[O-])s3)n2n1 ZINC001607710748 1071535146 /nfs/dbraw/zinc/53/51/46/1071535146.db2.gz SUVSUGNRYXFCGV-UHFFFAOYSA-N -1 0 307.360 2.047 20 10 DECDRM CC(=O)N(C)c1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1 ZINC001472500148 1060523702 /nfs/dbraw/zinc/52/37/02/1060523702.db2.gz SCOHSCHOECRYEI-UHFFFAOYSA-N -1 0 318.304 2.472 20 10 DECDRM O=S(=O)(NCc1cc(Cl)ccc1O)c1ccccc1[O-] ZINC001622325489 1078187831 /nfs/dbraw/zinc/18/78/31/1078187831.db2.gz WVNGQAUTJMPEPU-UHFFFAOYSA-N -1 0 313.762 2.230 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c(=O)c1 ZINC001570027507 1065891920 /nfs/dbraw/zinc/89/19/20/1065891920.db2.gz LNNFBNMQPGRBSB-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM Cc1cc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)ccc1O ZINC001600282005 1077176119 /nfs/dbraw/zinc/17/61/19/1077176119.db2.gz WTPSVRVIMRUFGC-UHFFFAOYSA-N -1 0 313.375 2.087 20 10 DECDRM Cc1ccncc1/C=C\C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001600604469 1077231533 /nfs/dbraw/zinc/23/15/33/1077231533.db2.gz ISNSMJOGUNBNJQ-MWWKQMNYSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001601641635 1077423913 /nfs/dbraw/zinc/42/39/13/1077423913.db2.gz JXVJCAQSFRTGMT-JOYOIKCWSA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])CN(Cc1c(O)ccc2ccncc21)CC(F)(F)F ZINC001602057847 1077501730 /nfs/dbraw/zinc/50/17/30/1077501730.db2.gz XRYPEYNBBQLWRX-UHFFFAOYSA-N -1 0 314.263 2.389 20 10 DECDRM O=C([O-])c1cnc(SCC(=O)NC(C2CC2)C2CC2)s1 ZINC001608355662 1077630954 /nfs/dbraw/zinc/63/09/54/1077630954.db2.gz OBDQVOWTVRVDDD-UHFFFAOYSA-N -1 0 312.416 2.238 20 10 DECDRM O=C([O-])CCc1nc(CSc2ncc(Cl)s2)no1 ZINC001608742128 1077687293 /nfs/dbraw/zinc/68/72/93/1077687293.db2.gz OJXQGIOIJLLBMP-UHFFFAOYSA-N -1 0 305.768 2.489 20 10 DECDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2c(O)cccc2F)n1 ZINC001608915226 1077720414 /nfs/dbraw/zinc/72/04/14/1077720414.db2.gz KJUCHEUGXJDJAD-UHFFFAOYSA-N -1 0 307.237 2.145 20 10 DECDRM CCc1nc(NC(=O)c2cccc(O)c2O)sc1C(=O)[O-] ZINC001610073118 1077975798 /nfs/dbraw/zinc/97/57/98/1077975798.db2.gz VMVJKMVJLAMBOZ-UHFFFAOYSA-N -1 0 308.315 2.067 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1C[C@H](F)C[C@H]1CO ZINC001235056526 1084291245 /nfs/dbraw/zinc/29/12/45/1084291245.db2.gz ALRBBGPUOCEFFF-ZJUUUORDSA-N -1 0 322.149 2.199 20 10 DECDRM Cn1cc2cccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)c2n1 ZINC001212566481 1086560410 /nfs/dbraw/zinc/56/04/10/1086560410.db2.gz WSMUNODXKOQBHY-UHFFFAOYSA-N -1 0 309.285 2.097 20 10 DECDRM COc1ccc(CN2CCc3nn(C)cc3C2)c([O-])c1Cl ZINC001236807787 1138435647 /nfs/dbraw/zinc/43/56/47/1138435647.db2.gz REPRBCRHWLSYTH-UHFFFAOYSA-N -1 0 307.781 2.346 20 10 DECDRM O=S(=O)(NCc1ncco1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387691 1142425521 /nfs/dbraw/zinc/42/55/21/1142425521.db2.gz FSCFJHFQZIXCLQ-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM CC(C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC001252421879 1142709806 /nfs/dbraw/zinc/70/98/06/1142709806.db2.gz YKQVNTBJGQLFFM-MRVPVSSYSA-N -1 0 316.448 2.122 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001354084284 1151871239 /nfs/dbraw/zinc/87/12/39/1151871239.db2.gz WDCDWNKLKKMHTR-YPMHNXCESA-N -1 0 309.337 2.334 20 10 DECDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000123903957 402152794 /nfs/dbraw/zinc/15/27/94/402152794.db2.gz PYPSDXLUYNEESN-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000295328285 403858031 /nfs/dbraw/zinc/85/80/31/403858031.db2.gz PCEUYYXNSCWACI-MEBBXXQBSA-N -1 0 311.353 2.418 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCS(=O)(=O)C1 ZINC000365463052 404667013 /nfs/dbraw/zinc/66/70/13/404667013.db2.gz QZRBZOMHCTXNTA-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM O=C1COc2c(NCc3cc([N+](=O)[O-])ccc3[O-])cccc2N1 ZINC000367987864 227000554 /nfs/dbraw/zinc/00/05/54/227000554.db2.gz PSGGQGHNBIEOML-UHFFFAOYSA-N -1 0 315.285 2.243 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCC(=O)[O-] ZINC000655555494 425598873 /nfs/dbraw/zinc/59/88/73/425598873.db2.gz VZZBXLXNJVGTEY-UHFFFAOYSA-N -1 0 306.362 2.123 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000237325631 524140998 /nfs/dbraw/zinc/14/09/98/524140998.db2.gz KGKREUWPOZTIHR-SNVBAGLBSA-N -1 0 304.321 2.436 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)[O-] ZINC000817909754 597293395 /nfs/dbraw/zinc/29/33/95/597293395.db2.gz JFBCPJXYTUOBAS-UHFFFAOYSA-N -1 0 307.394 2.147 20 10 DECDRM O=C([O-])c1ccc(O)c([C@@H]2NC(=O)c3ccc(F)cc3N2)c1 ZINC000740155036 599942823 /nfs/dbraw/zinc/94/28/23/599942823.db2.gz LGGYSCHYLNXVCS-ZDUSSCGKSA-N -1 0 302.261 2.084 20 10 DECDRM Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)on1 ZINC000738382860 600314793 /nfs/dbraw/zinc/31/47/93/600314793.db2.gz NDLNHPIOAWRQAX-UHFFFAOYSA-N -1 0 310.737 2.429 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000080357651 600678360 /nfs/dbraw/zinc/67/83/60/600678360.db2.gz XPDXHAYEERPHBG-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C2CC=CC2)NC(=O)[O-])cc1 ZINC000828056963 603025696 /nfs/dbraw/zinc/02/56/96/603025696.db2.gz XHFJJDCHQVJXSC-OAHLLOKOSA-N -1 0 317.389 2.144 20 10 DECDRM O=C([O-])NCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000740646445 603160821 /nfs/dbraw/zinc/16/08/21/603160821.db2.gz ZVMOQCQIQOQSNF-UHFFFAOYSA-N -1 0 318.329 2.172 20 10 DECDRM CN(CCCC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC000828285556 603929456 /nfs/dbraw/zinc/92/94/56/603929456.db2.gz RJSVJWCQWYKASZ-UHFFFAOYSA-N -1 0 320.389 2.277 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C=C2CCC2)NC(=O)[O-])cc1 ZINC000828064588 604226349 /nfs/dbraw/zinc/22/63/49/604226349.db2.gz UCMCCPYJCJYQEC-HNNXBMFYSA-N -1 0 317.389 2.288 20 10 DECDRM C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC000833630275 604669062 /nfs/dbraw/zinc/66/90/62/604669062.db2.gz QYVSCQKOMVLHCD-WPRPVWTQSA-N -1 0 314.179 2.307 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])cc1F ZINC000830639331 604675741 /nfs/dbraw/zinc/67/57/41/604675741.db2.gz DJTARXMTCMGBDX-LBPRGKRZSA-N -1 0 323.368 2.040 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000832925806 604777462 /nfs/dbraw/zinc/77/74/62/604777462.db2.gz XNMYVOWUVYPWRL-UHFFFAOYSA-N -1 0 313.357 2.186 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@H]1CC12CCOCC2 ZINC000922105307 635866922 /nfs/dbraw/zinc/86/69/22/635866922.db2.gz SBIORAHHKDCDQJ-LLVKDONJSA-N -1 0 308.353 2.147 20 10 DECDRM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894533755 637094959 /nfs/dbraw/zinc/09/49/59/637094959.db2.gz OYXUEKWFJKLWRV-JSGCOSHPSA-N -1 0 311.328 2.240 20 10 DECDRM CC1(O)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894976027 637355107 /nfs/dbraw/zinc/35/51/07/637355107.db2.gz HKKFAOAGCYNLIQ-UHFFFAOYSA-N -1 0 306.587 2.375 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000909452558 637626273 /nfs/dbraw/zinc/62/62/73/637626273.db2.gz FKDPYJHPOCELHS-LLVKDONJSA-N -1 0 315.373 2.472 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CC(OC(F)F)C2)c1[O-] ZINC000839142491 637803933 /nfs/dbraw/zinc/80/39/33/637803933.db2.gz AHUMJDAHDVNWKD-UHFFFAOYSA-N -1 0 308.668 2.377 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000769555608 641259621 /nfs/dbraw/zinc/25/96/21/641259621.db2.gz GWGCFBQDTYHYIJ-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000780575281 642644616 /nfs/dbraw/zinc/64/46/16/642644616.db2.gz AYUBETITULUFAR-OAHLLOKOSA-N -1 0 319.405 2.210 20 10 DECDRM COC(=O)[C@H](CC(F)F)NCc1cc(Cl)cc(F)c1[O-] ZINC000789582630 643751625 /nfs/dbraw/zinc/75/16/25/643751625.db2.gz SQNITVOILAEGEQ-VIFPVBQESA-N -1 0 311.687 2.471 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1O ZINC000797820169 644927811 /nfs/dbraw/zinc/92/78/11/644927811.db2.gz JQLIAWMKLQPJDO-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\C1CC1 ZINC000911359812 645684238 /nfs/dbraw/zinc/68/42/38/645684238.db2.gz HLASYXBUWGPQAV-UTCJRWHESA-N -1 0 309.749 2.425 20 10 DECDRM CC(C)(C)SCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911483756 645720204 /nfs/dbraw/zinc/72/02/04/645720204.db2.gz DBEYXTJJQDBHLI-UHFFFAOYSA-N -1 0 311.403 2.337 20 10 DECDRM Cc1nc(C)c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)s1 ZINC000911484039 645720273 /nfs/dbraw/zinc/72/02/73/645720273.db2.gz LJCAZSJYRHTRLT-UHFFFAOYSA-N -1 0 320.370 2.193 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)c1occ2c1CCC2 ZINC000911488204 645721850 /nfs/dbraw/zinc/72/18/50/645721850.db2.gz HLVLPYYFFQDUMQ-UHFFFAOYSA-N -1 0 315.325 2.201 20 10 DECDRM CSCC1(CC(=O)N(CC(=O)[O-])Cc2ccccc2O)CC1 ZINC000911494174 645723135 /nfs/dbraw/zinc/72/31/35/645723135.db2.gz RNRAOBFRNQNNCO-UHFFFAOYSA-N -1 0 323.414 2.339 20 10 DECDRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@H]1CCCO1 ZINC000911494731 645723378 /nfs/dbraw/zinc/72/33/78/645723378.db2.gz XQVNQPXLLNIORI-SWLSCSKDSA-N -1 0 321.373 2.011 20 10 DECDRM CCC(=O)N[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837982 645995273 /nfs/dbraw/zinc/99/52/73/645995273.db2.gz IKQLPJNSDCSGJH-SSDOTTSWSA-N -1 0 319.188 2.230 20 10 DECDRM CN1CCN(Cc2cc(Cl)c(F)cc2[O-])C(C)(C)C1=O ZINC000816515074 647145589 /nfs/dbraw/zinc/14/55/89/647145589.db2.gz OOHNDGXYGVNCLM-UHFFFAOYSA-N -1 0 300.761 2.237 20 10 DECDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3)cc12 ZINC000185566888 649557709 /nfs/dbraw/zinc/55/77/09/649557709.db2.gz UACWNABSRHOXBO-UHFFFAOYSA-N -1 0 319.342 2.292 20 10 DECDRM CC[C@@]1(O)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209232 651092370 /nfs/dbraw/zinc/09/23/70/651092370.db2.gz IXXZEMZXYQEBGN-ZDTYVGOBSA-N -1 0 306.318 2.044 20 10 DECDRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000844245747 651098587 /nfs/dbraw/zinc/09/85/87/651098587.db2.gz YSCGFVQXHCPDAT-HNNXBMFYSA-N -1 0 304.390 2.042 20 10 DECDRM CC[C@H](C(=O)[O-])N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000844929565 651184485 /nfs/dbraw/zinc/18/44/85/651184485.db2.gz LAPHIBUCZLLTRB-LXSSAFMLSA-N -1 0 322.317 2.080 20 10 DECDRM O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846103343 651308194 /nfs/dbraw/zinc/30/81/94/651308194.db2.gz ODIWDSMOBHVBBX-LXIMFEHMSA-N -1 0 306.214 2.404 20 10 DECDRM COc1ccc(N(C)Cc2nc(C(=O)[O-])cs2)cc1OC ZINC000846243008 651317760 /nfs/dbraw/zinc/31/77/60/651317760.db2.gz YTYSMWZZVRMGBR-UHFFFAOYSA-N -1 0 308.359 2.495 20 10 DECDRM O=C([O-])CCCCC(=O)NCCCSc1nccs1 ZINC000848448405 651459730 /nfs/dbraw/zinc/45/97/30/651459730.db2.gz LIPRUILMEDASAG-UHFFFAOYSA-N -1 0 302.421 2.387 20 10 DECDRM C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639315 651481588 /nfs/dbraw/zinc/48/15/88/651481588.db2.gz HFOYHAPOUWWGLS-ZMLRMANQSA-N -1 0 321.373 2.346 20 10 DECDRM COc1ccc(N2CC[C@H](Nc3ncccc3C(=O)[O-])C2)cc1 ZINC000852909388 652479075 /nfs/dbraw/zinc/47/90/75/652479075.db2.gz XCNRSBOPHUSWPV-LBPRGKRZSA-N -1 0 313.357 2.479 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000852942688 652481640 /nfs/dbraw/zinc/48/16/40/652481640.db2.gz LWWBHBZKKIZHFA-NOZJJQNGSA-N -1 0 309.362 2.325 20 10 DECDRM COc1ccc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000019731772 683858980 /nfs/dbraw/zinc/85/89/80/683858980.db2.gz BULYOGBBXHMAJX-UHFFFAOYSA-N -1 0 313.357 2.115 20 10 DECDRM CN(Cc1cnccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092591066 684043685 /nfs/dbraw/zinc/04/36/85/684043685.db2.gz ZWJINNGAQLPIEB-UHFFFAOYSA-N -1 0 308.725 2.376 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ncc[n-]1 ZINC000866559040 687609674 /nfs/dbraw/zinc/60/96/74/687609674.db2.gz BCPLMKJJZQYHHQ-UHFFFAOYSA-N -1 0 322.434 2.075 20 10 DECDRM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccn1 ZINC000868443530 688016985 /nfs/dbraw/zinc/01/69/85/688016985.db2.gz XVBRCNQHYDWQSE-BETUJISGSA-N -1 0 313.357 2.082 20 10 DECDRM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876810557 689943749 /nfs/dbraw/zinc/94/37/49/689943749.db2.gz BMGOHVFNGMDSRL-GFCCVEGCSA-N -1 0 317.332 2.069 20 10 DECDRM CCOC(=O)[C@H](F)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877550867 690148911 /nfs/dbraw/zinc/14/89/11/690148911.db2.gz RZEREUGSJGZDNK-LLVKDONJSA-N -1 0 303.280 2.003 20 10 DECDRM CCCOc1ccc(C[NH2+][C@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC001332476599 1149862967 /nfs/dbraw/zinc/86/29/67/1149862967.db2.gz OMNIZGYKJSNHNM-CYBMUJFWSA-N -1 0 309.362 2.191 20 10 DECDRM C[C@H](CSCC[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-] ZINC001332477694 1149863083 /nfs/dbraw/zinc/86/30/83/1149863083.db2.gz VMJSKZRYLWSGSE-MRVPVSSYSA-N -1 0 305.346 2.214 20 10 DECDRM CC(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)C(=O)[O-] ZINC001121918291 782376410 /nfs/dbraw/zinc/37/64/10/782376410.db2.gz FFZFIBPIYZDXJL-NSHDSACASA-N -1 0 314.769 2.202 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OC ZINC000398727781 790290118 /nfs/dbraw/zinc/29/01/18/790290118.db2.gz FSWZSZZDYXXHIF-NXEZZACHSA-N -1 0 324.333 2.159 20 10 DECDRM CC(C)c1nnc2n1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140583507 777373304 /nfs/dbraw/zinc/37/33/04/777373304.db2.gz IZUDFDZMMDNHTQ-UHFFFAOYSA-N -1 0 308.332 2.401 20 10 DECDRM CC(=O)OC1CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299926 790847705 /nfs/dbraw/zinc/84/77/05/790847705.db2.gz MPTBUXBBZFAVMR-UHFFFAOYSA-N -1 0 318.142 2.041 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001144298810 790847945 /nfs/dbraw/zinc/84/79/45/790847945.db2.gz JPBYXSGGAVLANN-CABZTGNLSA-N -1 0 322.149 2.199 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185996534 796344064 /nfs/dbraw/zinc/34/40/64/796344064.db2.gz HXNMPKGQILEDMF-UHFFFAOYSA-N -1 0 319.342 2.078 20 10 DECDRM [O-]c1cc(F)cc(F)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001140583865 796541968 /nfs/dbraw/zinc/54/19/68/796541968.db2.gz WOLVQPSRZLTKLK-UHFFFAOYSA-N -1 0 300.324 2.289 20 10 DECDRM C[C@@H]1CN(C2CN(Cc3cc(Cl)ccc3O)C2)C[C@H](C)O1 ZINC001203665601 796559942 /nfs/dbraw/zinc/55/99/42/796559942.db2.gz PAKKJVDPJMKHKG-TXEJJXNPSA-N -1 0 310.825 2.339 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCc2ncccc2C1 ZINC001193602641 797601885 /nfs/dbraw/zinc/60/18/85/797601885.db2.gz FAYFVONMEMQINY-UHFFFAOYSA-N -1 0 304.733 2.345 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)ccc1O ZINC001196244508 798032137 /nfs/dbraw/zinc/03/21/37/798032137.db2.gz LWSTWCSSKSKFPQ-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM COc1ccc(N(CCO)c2ccc(N)cc2)cc1C(=O)[O-] ZINC001209903550 801306143 /nfs/dbraw/zinc/30/61/43/801306143.db2.gz YFPMKMYIRRNJMZ-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM [O-]c1c(Cl)cccc1CN1Cc2ccnn2CC[C@H]1CO ZINC001231914818 801750219 /nfs/dbraw/zinc/75/02/19/801750219.db2.gz RCOCQWNYXNOFKA-ZDUSSCGKSA-N -1 0 307.781 2.009 20 10 DECDRM [O-]c1cc(Br)cc(F)c1C[NH+]1CCC(CO)CC1 ZINC001233027928 802006427 /nfs/dbraw/zinc/00/64/27/802006427.db2.gz GMPJAQZJPQKOGK-UHFFFAOYSA-N -1 0 318.186 2.498 20 10 DECDRM CCCN(CC(=O)[O-])C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001589665611 949890908 /nfs/dbraw/zinc/89/09/08/949890908.db2.gz KDWGHQDWAZWFPS-UHFFFAOYSA-N -1 0 309.343 2.249 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000397051695 951508543 /nfs/dbraw/zinc/50/85/43/951508543.db2.gz KZURUUSGVDVEIP-LSDHHAIUSA-N -1 0 304.390 2.212 20 10 DECDRM O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001594834551 954018691 /nfs/dbraw/zinc/01/86/91/954018691.db2.gz YVNVLEJJOHTKMJ-MRXNPFEDSA-N -1 0 316.401 2.404 20 10 DECDRM C[C@H]([NH2+]CCC(=O)[O-])c1cc(Br)cc(F)c1[O-] ZINC001589126770 956165235 /nfs/dbraw/zinc/16/52/35/956165235.db2.gz KYPIPWVNKBZCND-LURJTMIESA-N -1 0 306.131 2.419 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594311594 958031414 /nfs/dbraw/zinc/03/14/14/958031414.db2.gz LXOGPEGOELJDGV-XJKSGUPXSA-N -1 0 320.433 2.465 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001574500730 961763745 /nfs/dbraw/zinc/76/37/45/961763745.db2.gz XGVPLWKSQAAACK-SNVBAGLBSA-N -1 0 318.333 2.176 20 10 DECDRM CN(CCCC(=O)[O-])C(=O)NCCCSc1nccs1 ZINC001342700470 969755689 /nfs/dbraw/zinc/75/56/89/969755689.db2.gz PKGOOQXGXPLBOQ-UHFFFAOYSA-N -1 0 317.436 2.132 20 10 DECDRM CC(C)c1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])ccc1O ZINC001591936059 976456421 /nfs/dbraw/zinc/45/64/21/976456421.db2.gz NNTCNWJCDJCKQX-UHFFFAOYSA-N -1 0 315.391 2.368 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592883394 979760510 /nfs/dbraw/zinc/76/05/10/979760510.db2.gz RTDLIVOZOPSDDD-WXHSDQCUSA-N -1 0 321.373 2.036 20 10 DECDRM CC[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cccc(Cl)c1[O-] ZINC001595298195 980414426 /nfs/dbraw/zinc/41/44/26/980414426.db2.gz CCDDQQNHECQMLP-LLVKDONJSA-N -1 0 324.768 2.076 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1ccnc(C(=O)[O-])n1 ZINC001596364972 983855973 /nfs/dbraw/zinc/85/59/73/983855973.db2.gz RSCMYQYXMYHDGT-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM CC(C)(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001590685186 990399739 /nfs/dbraw/zinc/39/97/39/990399739.db2.gz FOSXTSKTCWEULT-UHFFFAOYSA-N -1 0 306.322 2.080 20 10 DECDRM CN(Cc1ccccc1O)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001598530342 992770871 /nfs/dbraw/zinc/77/08/71/992770871.db2.gz AHAOFJXQPIWOPF-SREVYHEPSA-N -1 0 301.298 2.355 20 10 DECDRM CN(Cc1cnc2ccccn12)c1ccc(OCC(=O)[O-])cc1 ZINC001598533746 992821608 /nfs/dbraw/zinc/82/16/08/992821608.db2.gz WHCSLFCNSGEJRH-UHFFFAOYSA-N -1 0 311.341 2.434 20 10 DECDRM COC(=O)c1coc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599011828 998904964 /nfs/dbraw/zinc/90/49/64/998904964.db2.gz FFCVOWKSJMMQEL-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM O=C([O-])c1nccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC001602576260 1069683147 /nfs/dbraw/zinc/68/31/47/1069683147.db2.gz UWOLHEKSLQJVBO-UHFFFAOYSA-N -1 0 312.373 2.199 20 10 DECDRM C/C(=C/CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001602972955 1069815414 /nfs/dbraw/zinc/81/54/14/1069815414.db2.gz OBCYJDBBSRBFKI-MMRAYRKESA-N -1 0 305.378 2.144 20 10 DECDRM Cc1oc(CNC(=O)N(C)Cc2ccccc2O)cc1C(=O)[O-] ZINC001610584836 1078046750 /nfs/dbraw/zinc/04/67/50/1078046750.db2.gz DPVIGXZABIRHCL-UHFFFAOYSA-N -1 0 318.329 2.333 20 10 DECDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)C1=CC(=O)CS1)C(=O)[O-] ZINC001604223250 1070283797 /nfs/dbraw/zinc/28/37/97/1070283797.db2.gz YWQAYVSBHDIHQF-HNNXBMFYSA-N -1 0 323.345 2.409 20 10 DECDRM C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001604306853 1070317571 /nfs/dbraw/zinc/31/75/71/1070317571.db2.gz JWZJYSPKDAUFCX-SNVBAGLBSA-N -1 0 301.346 2.270 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001605277554 1070669053 /nfs/dbraw/zinc/66/90/53/1070669053.db2.gz ALMQKOWNNRZWBX-CABCVRRESA-N -1 0 321.373 2.153 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1oc(C(=O)[O-])cc1C ZINC001605530787 1070749778 /nfs/dbraw/zinc/74/97/78/1070749778.db2.gz NAPIVRWFTVQIGT-UHFFFAOYSA-N -1 0 324.329 2.408 20 10 DECDRM COc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(O)c1 ZINC001607260547 1071387441 /nfs/dbraw/zinc/38/74/41/1071387441.db2.gz BRQQPELMRAAMTD-UHFFFAOYSA-N -1 0 319.273 2.014 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001607667774 1071519563 /nfs/dbraw/zinc/51/95/63/1071519563.db2.gz SFYFCMOMDSTIEZ-SWLSCSKDSA-N -1 0 319.405 2.066 20 10 DECDRM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001601794890 1068663129 /nfs/dbraw/zinc/66/31/29/1068663129.db2.gz UGLGHBDTOYGMMD-GZMMTYOYSA-N -1 0 314.179 2.498 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001520181407 1069105654 /nfs/dbraw/zinc/10/56/54/1069105654.db2.gz LXHOXFJBGVIRHK-OKILXGFUSA-N -1 0 304.390 2.212 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CCC12COC2 ZINC001235069101 1084294677 /nfs/dbraw/zinc/29/46/77/1084294677.db2.gz PCRHZHPVLFAJAW-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC001235293751 1079010919 /nfs/dbraw/zinc/01/09/19/1079010919.db2.gz BLDHGQOPHYLLOR-GHMZBOCLSA-N -1 0 322.149 2.199 20 10 DECDRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(O)c1O ZINC001594344214 1077053901 /nfs/dbraw/zinc/05/39/01/1077053901.db2.gz PEUJYQCYSRXZCY-NSHDSACASA-N -1 0 307.346 2.123 20 10 DECDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccccc2O)n1 ZINC001600105696 1077137625 /nfs/dbraw/zinc/13/76/25/1077137625.db2.gz HQOBHILTQSINKK-UHFFFAOYSA-N -1 0 303.274 2.314 20 10 DECDRM Cc1cc(O)c(CN2CCc3[nH]nc(C(=O)[O-])c3C2)c(Cl)c1 ZINC001600286870 1077176543 /nfs/dbraw/zinc/17/65/43/1077176543.db2.gz YKWYQLRBCSBPAG-UHFFFAOYSA-N -1 0 321.764 2.334 20 10 DECDRM Cc1cn(C)nc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600612831 1077233209 /nfs/dbraw/zinc/23/32/09/1077233209.db2.gz RMQQPNUXYNRKOG-UHFFFAOYSA-N -1 0 323.780 2.174 20 10 DECDRM Cc1ncc(NC(=O)NCc2ccccc2O)cc1C(=O)[O-] ZINC001600744505 1077261665 /nfs/dbraw/zinc/26/16/65/1077261665.db2.gz XLHAASMZRRDQLE-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC001600831999 1077282951 /nfs/dbraw/zinc/28/29/51/1077282951.db2.gz HHRKKYRTDGTGOL-UHFFFAOYSA-N -1 0 307.258 2.266 20 10 DECDRM Nc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601216284 1077358159 /nfs/dbraw/zinc/35/81/59/1077358159.db2.gz UDCZPYQOCSMVRK-OAHLLOKOSA-N -1 0 316.332 2.283 20 10 DECDRM O=C([O-])CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001601936310 1077478888 /nfs/dbraw/zinc/47/88/88/1077478888.db2.gz PJBMNOBYSFNFEW-UHFFFAOYSA-N -1 0 300.698 2.051 20 10 DECDRM O=C([O-])c1cc(NCc2cccc(Br)c2O)ncn1 ZINC001602287240 1077541798 /nfs/dbraw/zinc/54/17/98/1077541798.db2.gz OMGCTOHFAIVDJE-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001608891691 1077716558 /nfs/dbraw/zinc/71/65/58/1077716558.db2.gz GUESHIZOPAWCBB-UHFFFAOYSA-N -1 0 321.716 2.379 20 10 DECDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc(O)c(O)c2)c1 ZINC001608915378 1077720051 /nfs/dbraw/zinc/72/00/51/1077720051.db2.gz SLYLIOKOWFCMAY-UHFFFAOYSA-N -1 0 318.285 2.359 20 10 DECDRM O=C([O-])c1cnc(SC[C@H](O)COCc2ccco2)s1 ZINC001608978568 1077732194 /nfs/dbraw/zinc/73/21/94/1077732194.db2.gz GGRZNOOZVNRKDG-MRVPVSSYSA-N -1 0 315.372 2.104 20 10 DECDRM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC001609010642 1077739951 /nfs/dbraw/zinc/73/99/51/1077739951.db2.gz YGLRMDHBBSLJGA-UHFFFAOYSA-N -1 0 317.319 2.092 20 10 DECDRM O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cccc(Cl)c1O ZINC001653567171 1079932304 /nfs/dbraw/zinc/93/23/04/1079932304.db2.gz NZHNXYUIECJZQA-LLVKDONJSA-N -1 0 300.761 2.096 20 10 DECDRM COc1cc(F)ccc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566515 1086560030 /nfs/dbraw/zinc/56/00/30/1086560030.db2.gz YZCWOXLETHIQJR-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM CN1CCC12CN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001276193695 1091676629 /nfs/dbraw/zinc/67/66/29/1091676629.db2.gz GDQVUUSWHCSTOV-UHFFFAOYSA-N -1 0 315.186 2.184 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2ccncn2)CC1 ZINC001237622520 1138719102 /nfs/dbraw/zinc/71/91/02/1138719102.db2.gz UGPLFXPOINEGCO-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1cc(F)ccc1F ZINC001258946292 1144056351 /nfs/dbraw/zinc/05/63/51/1144056351.db2.gz ZNYXOGMTDQFXAS-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001260111501 1144178769 /nfs/dbraw/zinc/17/87/69/1144178769.db2.gz IFFNAWBJUDMMSM-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cccc(Cl)c1[O-] ZINC000376821594 533541885 /nfs/dbraw/zinc/54/18/85/533541885.db2.gz FOJCRFNJDZWFJA-WCQYABFASA-N -1 0 313.781 2.198 20 10 DECDRM CSc1ccccc1C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000091128227 401994468 /nfs/dbraw/zinc/99/44/68/401994468.db2.gz MUZUDRDGLQKAGL-SNVBAGLBSA-N -1 0 311.428 2.441 20 10 DECDRM COCCN(CC(=O)OC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093416257 402015497 /nfs/dbraw/zinc/01/54/97/402015497.db2.gz GFXCXNSEBBFOGI-UHFFFAOYSA-N -1 0 322.188 2.320 20 10 DECDRM COCC[C@H]1COCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293863737 403585600 /nfs/dbraw/zinc/58/56/00/403585600.db2.gz ILQDONQSCDMPDC-NSHDSACASA-N -1 0 303.761 2.422 20 10 DECDRM CCOC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000529667209 405763527 /nfs/dbraw/zinc/76/35/27/405763527.db2.gz SKZBRJXJXDPCFL-SNVBAGLBSA-N -1 0 303.761 2.422 20 10 DECDRM CC1(C)CNC(=O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282700932 281276803 /nfs/dbraw/zinc/27/68/03/281276803.db2.gz JVHXCCHDXPMNCO-UHFFFAOYSA-N -1 0 303.189 2.409 20 10 DECDRM C[C@@H](CS(C)(=O)=O)N(Cc1cccc(Cl)c1[O-])C1CC1 ZINC000180245462 524833516 /nfs/dbraw/zinc/83/35/16/524833516.db2.gz NXKLNPMLHDYMAJ-JTQLQIEISA-N -1 0 317.838 2.443 20 10 DECDRM C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000387354319 600126482 /nfs/dbraw/zinc/12/64/82/600126482.db2.gz YWZDCCJGECEHRG-MALLOTDXSA-N -1 0 306.318 2.308 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000737204800 600623000 /nfs/dbraw/zinc/62/30/00/600623000.db2.gz XQMREPCLMOCZSH-BLLLJJGKSA-N -1 0 322.405 2.137 20 10 DECDRM CCN(CCC(=O)[O-])c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000829704633 602237961 /nfs/dbraw/zinc/23/79/61/602237961.db2.gz DFZPDNCVHHCYER-FNORWQNLSA-N -1 0 322.317 2.082 20 10 DECDRM O=C([O-])NC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000834219472 605995475 /nfs/dbraw/zinc/99/54/75/605995475.db2.gz GYSGLCREUKZTCJ-JTQLQIEISA-N -1 0 302.733 2.417 20 10 DECDRM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000840914606 650379720 /nfs/dbraw/zinc/37/97/20/650379720.db2.gz DDRCYULRLXKHFB-UHFFFAOYSA-N -1 0 314.388 2.104 20 10 DECDRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988795 650401482 /nfs/dbraw/zinc/40/14/82/650401482.db2.gz NINKYEYVWDAWDQ-PXAZEXFGSA-N -1 0 319.405 2.320 20 10 DECDRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2F)cs1 ZINC000758169592 639922437 /nfs/dbraw/zinc/92/24/37/639922437.db2.gz UQMNRLFZGZKHOZ-UHFFFAOYSA-N -1 0 317.319 2.092 20 10 DECDRM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000775642542 642072164 /nfs/dbraw/zinc/07/21/64/642072164.db2.gz LUAMPNPPUGPTTF-LLVKDONJSA-N -1 0 321.801 2.194 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000780576946 642644491 /nfs/dbraw/zinc/64/44/91/642644491.db2.gz MKVPVLJHTBOUET-KRWDZBQOSA-N -1 0 319.405 2.210 20 10 DECDRM CCC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-] ZINC000780577826 642645526 /nfs/dbraw/zinc/64/55/26/642645526.db2.gz UBVXWPIKLQCLEA-AWEZNQCLSA-N -1 0 307.394 2.114 20 10 DECDRM O=C([O-])C1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000789901577 643787035 /nfs/dbraw/zinc/78/70/35/643787035.db2.gz ANYRSEYUAZVJIY-UHFFFAOYSA-N -1 0 320.172 2.422 20 10 DECDRM C[C@@H]1c2nncn2CCN1Cc1cccc(Br)c1[O-] ZINC000792186905 644086660 /nfs/dbraw/zinc/08/66/60/644086660.db2.gz JFUNKDMLXMVLGY-SECBINFHSA-N -1 0 323.194 2.323 20 10 DECDRM CO[C@@H]1CC[C@@H]1N(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910389248 645437085 /nfs/dbraw/zinc/43/70/85/645437085.db2.gz SIIJEUJEYQGYTE-MXCDDWKTSA-N -1 0 306.318 2.306 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000911096846 645630224 /nfs/dbraw/zinc/63/02/24/645630224.db2.gz QTSAHFHXWZUCAY-KBPBESRZSA-N -1 0 321.373 2.011 20 10 DECDRM O=C(C[C@H]1COC(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835576 645995199 /nfs/dbraw/zinc/99/51/99/645995199.db2.gz HZCIQOZJLZEVFL-SSDOTTSWSA-N -1 0 318.156 2.268 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@]1(O)CCSC1 ZINC000813684670 646799413 /nfs/dbraw/zinc/79/94/13/646799413.db2.gz UIPCXYPPVYCYIQ-GFCCVEGCSA-N -1 0 322.213 2.183 20 10 DECDRM CN(Cc1nnc2n1CCC2)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483246 647140289 /nfs/dbraw/zinc/14/02/89/647140289.db2.gz KYQVBSIAPPMCFQ-UHFFFAOYSA-N -1 0 310.760 2.354 20 10 DECDRM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514251 647145389 /nfs/dbraw/zinc/14/53/89/647145389.db2.gz RDAVWKVTYMARRH-IUCAKERBSA-N -1 0 321.801 2.192 20 10 DECDRM COC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816586475 647155799 /nfs/dbraw/zinc/15/57/99/647155799.db2.gz IYZSWVCJLUFHSV-GXSJLCMTSA-N -1 0 303.761 2.420 20 10 DECDRM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](CO)O1 ZINC000817413353 647288927 /nfs/dbraw/zinc/28/89/27/647288927.db2.gz WZIVWVBTOORRBF-SECBINFHSA-N -1 0 303.761 2.156 20 10 DECDRM Cc1cc(O)c(CN2CCC(S(C)(=O)=O)CC2)cc1Cl ZINC000824856530 648663266 /nfs/dbraw/zinc/66/32/66/648663266.db2.gz ZGOGVVGANUOPTF-UHFFFAOYSA-N -1 0 317.838 2.363 20 10 DECDRM CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826952476 648951903 /nfs/dbraw/zinc/95/19/03/648951903.db2.gz MMSOFOQCZCGAAF-AWEZNQCLSA-N -1 0 303.761 2.158 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@H+](CCC(=O)[O-])CC2CC2)c1[O-] ZINC000846267488 651319113 /nfs/dbraw/zinc/31/91/13/651319113.db2.gz AEFGZBQRVTZQDF-UHFFFAOYSA-N -1 0 309.337 2.421 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000846709468 651347722 /nfs/dbraw/zinc/34/77/22/651347722.db2.gz GFBOCJPHUZHMIU-SFHVURJKSA-N -1 0 316.401 2.488 20 10 DECDRM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000848557524 651470792 /nfs/dbraw/zinc/47/07/92/651470792.db2.gz KHVZTHQORJFFHB-QPUJVOFHSA-N -1 0 324.331 2.491 20 10 DECDRM CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848582705 651475662 /nfs/dbraw/zinc/47/56/62/651475662.db2.gz PNJRWEDWDBOXLH-DOMZBBRYSA-N -1 0 321.421 2.470 20 10 DECDRM C[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(N(C)C)cc1 ZINC000849388176 651663821 /nfs/dbraw/zinc/66/38/21/651663821.db2.gz PYEWNBPNNIXRQE-LBPRGKRZSA-N -1 0 320.414 2.498 20 10 DECDRM O=C([O-])C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC=CC1 ZINC000852943688 652481980 /nfs/dbraw/zinc/48/19/80/652481980.db2.gz XTMWHSUHLGVQKD-UHFFFAOYSA-N -1 0 315.369 2.308 20 10 DECDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852949978 652483470 /nfs/dbraw/zinc/48/34/70/652483470.db2.gz CWPONLRIQXMRRY-GOSISDBHSA-N -1 0 316.401 2.404 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000854244655 652664474 /nfs/dbraw/zinc/66/44/74/652664474.db2.gz NSMQBTQRGHEEIC-UHFFFAOYSA-N -1 0 314.725 2.298 20 10 DECDRM C[C@@H](NC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929046517 693886258 /nfs/dbraw/zinc/88/62/58/693886258.db2.gz WRZWBOAHVNQTHH-IAQYHMDHSA-N -1 0 319.405 2.366 20 10 DECDRM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000874053172 689348508 /nfs/dbraw/zinc/34/85/08/689348508.db2.gz DALJFBDYFNPUOZ-KYZUINATSA-N -1 0 300.152 2.108 20 10 DECDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1c(F)ccc(O)c1[O-] ZINC001161027826 791461191 /nfs/dbraw/zinc/46/11/91/791461191.db2.gz UDVSAKVGFOKQSA-UHFFFAOYSA-N -1 0 319.214 2.248 20 10 DECDRM O=C(Nc1cccc2nccn21)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878333 791644664 /nfs/dbraw/zinc/64/46/64/791644664.db2.gz BQOGZUQKALMGQG-UHFFFAOYSA-N -1 0 319.324 2.066 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1cncnc1 ZINC001139130179 796329510 /nfs/dbraw/zinc/32/95/10/796329510.db2.gz UIITZHBOQJQVPS-UHFFFAOYSA-N -1 0 311.341 2.229 20 10 DECDRM O=C1CN(Cc2c(F)ccc(F)c2[O-])CCN1C1CCCC1 ZINC001139683309 796409988 /nfs/dbraw/zinc/40/99/88/796409988.db2.gz LCMLHQSYWZMBNM-UHFFFAOYSA-N -1 0 310.344 2.257 20 10 DECDRM Cc1cc2n(n1)c(=O)cc(C)n2Cc1c([O-])cc(F)cc1F ZINC001140583270 796541155 /nfs/dbraw/zinc/54/11/55/796541155.db2.gz CGBFDURWEWDEQH-UHFFFAOYSA-N -1 0 305.284 2.145 20 10 DECDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(O)cc1O ZINC001192308651 797358721 /nfs/dbraw/zinc/35/87/21/797358721.db2.gz LMTDFLRYVBRGKD-UHFFFAOYSA-N -1 0 314.750 2.255 20 10 DECDRM O=C(NCC1(c2cnccn2)CC1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634610 797597442 /nfs/dbraw/zinc/59/74/42/797597442.db2.gz YWIHZCXCEBDMLZ-UHFFFAOYSA-N -1 0 319.748 2.003 20 10 DECDRM O=C(Nc1ccn2cnnc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605130 797602135 /nfs/dbraw/zinc/60/21/35/797602135.db2.gz CAAVGAZTRAKTSY-UHFFFAOYSA-N -1 0 304.693 2.046 20 10 DECDRM O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1ccccc1F ZINC001202007264 798816383 /nfs/dbraw/zinc/81/63/83/798816383.db2.gz KYWBKSXYXGQVEV-UHFFFAOYSA-N -1 0 304.277 2.241 20 10 DECDRM O=C([O-])c1ccc(CN2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001231455269 801668371 /nfs/dbraw/zinc/66/83/71/801668371.db2.gz LYZDWTFZBXAWCZ-UHFFFAOYSA-N -1 0 317.316 2.493 20 10 DECDRM O=C([O-])c1ccc(CN2CC(OCc3ccccc3)C2)c(O)c1 ZINC001231452408 801668811 /nfs/dbraw/zinc/66/88/11/801668811.db2.gz OQVPFFXBQDCBQO-UHFFFAOYSA-N -1 0 313.353 2.491 20 10 DECDRM COC(=O)CC[N@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233030426 802009179 /nfs/dbraw/zinc/00/91/79/802009179.db2.gz SRJOENJRBMWDKX-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM O=C1c2ccc(OC[C@H]3C[C@@H](O)C3)cc2C(=O)c2ccc([O-])cc21 ZINC001218433304 802183299 /nfs/dbraw/zinc/18/32/99/802183299.db2.gz JEBIORCZNIQQTI-KLPPZKSPSA-N -1 0 324.332 2.317 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589079014 955837292 /nfs/dbraw/zinc/83/72/92/955837292.db2.gz ICGQBSKWEHMIDE-BMIGLBTASA-N -1 0 321.373 2.036 20 10 DECDRM COc1ccc(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)c(O)c1 ZINC001594094328 958387271 /nfs/dbraw/zinc/38/72/71/958387271.db2.gz GGSBDAIHBRUJLI-PLNGDYQASA-N -1 0 317.297 2.022 20 10 DECDRM Cc1cc(CCNC(=O)[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001574326477 960859398 /nfs/dbraw/zinc/85/93/98/960859398.db2.gz RWOFWDHTCAUSGO-CYBMUJFWSA-N -1 0 314.385 2.474 20 10 DECDRM O=C([O-])[C@]1(C(=O)NCc2cccc(Cl)c2O)CC=CCC1 ZINC001574633158 962305921 /nfs/dbraw/zinc/30/59/21/962305921.db2.gz BKLUNRSJHYIMPL-OAHLLOKOSA-N -1 0 309.749 2.473 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604190218 972623070 /nfs/dbraw/zinc/62/30/70/972623070.db2.gz LUPZKLCKFXLRQP-UHFFFAOYSA-N -1 0 301.302 2.149 20 10 DECDRM CCC[N@H+](Cc1c(C(=O)[O-])cnn1C)Cc1ccccc1O ZINC001603672809 974052892 /nfs/dbraw/zinc/05/28/92/974052892.db2.gz UUNSMGPNNXFJRO-UHFFFAOYSA-N -1 0 303.362 2.236 20 10 DECDRM CCC(CC)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC001595064304 979324752 /nfs/dbraw/zinc/32/47/52/979324752.db2.gz BSDPNYZZFGFFCN-SOFGYWHQSA-N -1 0 307.346 2.118 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001595747148 982412816 /nfs/dbraw/zinc/41/28/16/982412816.db2.gz ALMQKOWNNRZWBX-LSDHHAIUSA-N -1 0 321.373 2.153 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595891150 982924248 /nfs/dbraw/zinc/92/42/48/982924248.db2.gz MUMWYTRPRSVGCH-UHFFFAOYSA-N -1 0 316.357 2.481 20 10 DECDRM CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001597487878 987995288 /nfs/dbraw/zinc/99/52/88/987995288.db2.gz ROCGMPWACCRDCD-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)[O-])o1 ZINC001598334066 991376729 /nfs/dbraw/zinc/37/67/29/991376729.db2.gz YBGBOYIPHOWKLK-UHFFFAOYSA-N -1 0 316.313 2.083 20 10 DECDRM CN(CC(=O)NC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001598387359 991620229 /nfs/dbraw/zinc/62/02/29/991620229.db2.gz VKVBHJXZQQOVDN-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM CN(CC(=O)Nc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598400404 991692276 /nfs/dbraw/zinc/69/22/76/991692276.db2.gz IZVQDXIKELVPJW-UHFFFAOYSA-N -1 0 314.341 2.225 20 10 DECDRM COc1nscc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599742573 991880836 /nfs/dbraw/zinc/88/08/36/991880836.db2.gz AWNPJNRNJODNSM-UHFFFAOYSA-N -1 0 308.359 2.252 20 10 DECDRM CN(Cc1ccc2nonc2c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598524704 992704916 /nfs/dbraw/zinc/70/49/16/992704916.db2.gz QTRISPMXWSWCLQ-UHFFFAOYSA-N -1 0 313.313 2.323 20 10 DECDRM COc1ccc(N(C)CC(=O)c2cc(C(=O)[O-])[nH]c2C)cc1 ZINC001599583785 993585340 /nfs/dbraw/zinc/58/53/40/993585340.db2.gz AZDDVYLNYBLENF-UHFFFAOYSA-N -1 0 302.330 2.349 20 10 DECDRM C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593084584 993688536 /nfs/dbraw/zinc/68/85/36/993688536.db2.gz TTZHDJBDPMGCEX-FZMZJTMJSA-N -1 0 317.389 2.286 20 10 DECDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(N(C)C)cc1 ZINC001593149252 993953720 /nfs/dbraw/zinc/95/37/20/993953720.db2.gz HLFDLQKYRVAMEF-LLVKDONJSA-N -1 0 313.357 2.337 20 10 DECDRM C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593183374 994075387 /nfs/dbraw/zinc/07/53/87/994075387.db2.gz DIBFTZNAMFZHAX-NSHDSACASA-N -1 0 316.357 2.464 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001602308345 1069598872 /nfs/dbraw/zinc/59/88/72/1069598872.db2.gz JNKRYBYCIXFUAJ-NSHDSACASA-N -1 0 323.299 2.190 20 10 DECDRM O=C([O-])c1cncnc1NCc1cccc(Br)c1O ZINC001602543491 1069669466 /nfs/dbraw/zinc/66/94/66/1069669466.db2.gz RCZJLZUCONYQSN-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM C/C(=C\CNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC001602973193 1069813936 /nfs/dbraw/zinc/81/39/36/1069813936.db2.gz RHEWFFOJBRVGTL-DHZHZOJOSA-N -1 0 318.373 2.101 20 10 DECDRM C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC001621417478 1078174129 /nfs/dbraw/zinc/17/41/29/1078174129.db2.gz HXXXRTPKTVKHMS-CIUDSAMLSA-N -1 0 300.761 2.282 20 10 DECDRM CN(C(=O)CSc1n[n-]c(=S)s1)c1ccc(N)cc1 ZINC001578378227 1067072532 /nfs/dbraw/zinc/07/25/32/1067072532.db2.gz LZAZNKKRBHPTNW-UHFFFAOYSA-N -1 0 312.445 2.164 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)[C@@H]1NCCc2occc21 ZINC001580718750 1075982219 /nfs/dbraw/zinc/98/22/19/1075982219.db2.gz OZGPKGVKIVSAOJ-CYBMUJFWSA-N -1 0 306.749 2.142 20 10 DECDRM CCN(Cc1cncc(-c2nn[nH]n2)c1)c1ccc(OC)cc1 ZINC001590721599 1076670886 /nfs/dbraw/zinc/67/08/86/1076670886.db2.gz QRGDOANOCFUZGQ-UHFFFAOYSA-N -1 0 310.361 2.297 20 10 DECDRM Cc1cc(Cl)cc(CN2CCc3[nH]nc(C(=O)[O-])c3C2)c1O ZINC001600219245 1077164608 /nfs/dbraw/zinc/16/46/08/1077164608.db2.gz YSSMWROUGDNZOR-UHFFFAOYSA-N -1 0 321.764 2.334 20 10 DECDRM NC(=O)[C@@H](Sc1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001601138298 1077348491 /nfs/dbraw/zinc/34/84/91/1077348491.db2.gz BXIOZNUAOYCLMU-VIFPVBQESA-N -1 0 312.347 2.299 20 10 DECDRM Nc1ccc(CCNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001601216085 1077358337 /nfs/dbraw/zinc/35/83/37/1077358337.db2.gz MWNCGDKGYUMZER-UHFFFAOYSA-N -1 0 319.405 2.146 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC1(F)F ZINC001602057679 1077501529 /nfs/dbraw/zinc/50/15/29/1077501529.db2.gz RTKCSWYJSDXQIM-VIFPVBQESA-N -1 0 319.691 2.114 20 10 DECDRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC001608769107 1077691447 /nfs/dbraw/zinc/69/14/47/1077691447.db2.gz AHXWNMHZRXZJKR-LLVKDONJSA-N -1 0 305.355 2.270 20 10 DECDRM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001609835256 1077933917 /nfs/dbraw/zinc/93/39/17/1077933917.db2.gz SZJZWXXWOMHNEY-XCBNKYQSSA-N -1 0 314.725 2.249 20 10 DECDRM CN(Cc1ccccc1O)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610125251 1077983505 /nfs/dbraw/zinc/98/35/05/1077983505.db2.gz MVZNIVSNYLSVOH-UHFFFAOYSA-N -1 0 303.274 2.030 20 10 DECDRM COc1ccc(N(C)C[C@@H]2CC(C(=O)[O-])=C(C)O2)c(OC)c1 ZINC001610339204 1078005465 /nfs/dbraw/zinc/00/54/65/1078005465.db2.gz RCCROKBILDJMQZ-LBPRGKRZSA-N -1 0 307.346 2.288 20 10 DECDRM Cc1nn(C)c(Cl)c1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001610568435 1078043366 /nfs/dbraw/zinc/04/33/66/1078043366.db2.gz PXVKSZSMORQJOM-UHFFFAOYSA-N -1 0 323.780 2.482 20 10 DECDRM NC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001277446386 1083974042 /nfs/dbraw/zinc/97/40/42/1083974042.db2.gz RSXBEMOQKOMZAD-ISVAXAHUSA-N -1 0 301.173 2.149 20 10 DECDRM COC(=O)[C@@H]1CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235059500 1084293974 /nfs/dbraw/zinc/29/39/74/1084293974.db2.gz VDMRTTMWIAHAHP-JTQLQIEISA-N -1 0 318.142 2.041 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804663 1138793766 /nfs/dbraw/zinc/79/37/66/1138793766.db2.gz DUVCNISJUKHXTM-CYBMUJFWSA-N -1 0 305.708 2.272 20 10 DECDRM O=C([O-])c1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001241802867 1139854753 /nfs/dbraw/zinc/85/47/53/1139854753.db2.gz RIEVWJOUKWORQO-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM O=C1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251409644 1142427722 /nfs/dbraw/zinc/42/77/22/1142427722.db2.gz ZEUBWYGUXDPIQV-UHFFFAOYSA-N -1 0 324.185 2.053 20 10 DECDRM CN(CCCC(=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C ZINC001339504623 1143044948 /nfs/dbraw/zinc/04/49/48/1143044948.db2.gz JZJVTIKNBQNPPE-UHFFFAOYSA-N -1 0 319.405 2.075 20 10 DECDRM CC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001339714410 1143085588 /nfs/dbraw/zinc/08/55/88/1143085588.db2.gz CDBBFHQCKYCUMH-VXGBXAGGSA-N -1 0 307.394 2.224 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947315 1144057182 /nfs/dbraw/zinc/05/71/82/1144057182.db2.gz BQOCTFIZMHVLEG-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC001259090496 1144064810 /nfs/dbraw/zinc/06/48/10/1144064810.db2.gz YAHMILHUVQECHF-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1c(F)cc(F)cc1F ZINC001260347843 1144185179 /nfs/dbraw/zinc/18/51/79/1144185179.db2.gz SKAKTNXCXVTFLL-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441344 1144187312 /nfs/dbraw/zinc/18/73/12/1144187312.db2.gz DIDKVHNSCDWJPP-SECBINFHSA-N -1 0 319.342 2.077 20 10 DECDRM CCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000295328658 285095159 /nfs/dbraw/zinc/09/51/59/285095159.db2.gz LUKHPZOCLWVRDK-VIFPVBQESA-N -1 0 323.817 2.440 20 10 DECDRM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000274994811 130280039 /nfs/dbraw/zinc/28/00/39/130280039.db2.gz ZTMDAOBLFFFBMZ-AWEZNQCLSA-N -1 0 322.405 2.118 20 10 DECDRM C[C@H](CF)NC(=O)NCc1cccc(Br)c1O ZINC000289243121 131368831 /nfs/dbraw/zinc/36/88/31/131368831.db2.gz SUMMCPXMYRPPGP-SSDOTTSWSA-N -1 0 305.147 2.312 20 10 DECDRM COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(=O)[O-])c2C)cc1 ZINC000033556029 401891368 /nfs/dbraw/zinc/89/13/68/401891368.db2.gz ICRWZBQZTRVXJE-LLVKDONJSA-N -1 0 316.357 2.306 20 10 DECDRM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294605790 534118674 /nfs/dbraw/zinc/11/86/74/534118674.db2.gz IGSCOIKSBBTXRT-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM O=C([O-])CCCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000821521841 598166189 /nfs/dbraw/zinc/16/61/89/598166189.db2.gz OYFSSBPWICTGLU-UHFFFAOYSA-N -1 0 302.714 2.298 20 10 DECDRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000821539292 598220399 /nfs/dbraw/zinc/22/03/99/598220399.db2.gz FIIPYIZQFPWFAA-SOFGYWHQSA-N -1 0 313.309 2.377 20 10 DECDRM COC[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316101099 600559970 /nfs/dbraw/zinc/55/99/70/600559970.db2.gz IBKWUTOSAOQLSN-OGOUPESXSA-N -1 0 306.318 2.165 20 10 DECDRM CN(Cc1ccon1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737495440 600560254 /nfs/dbraw/zinc/56/02/54/600560254.db2.gz MCDCRHWZSCYNQV-HYXAFXHYSA-N -1 0 303.274 2.317 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000080357631 600683255 /nfs/dbraw/zinc/68/32/55/600683255.db2.gz QSPVYFBHVADJEX-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)CN(C)C(=O)[O-])cc2)CC1 ZINC000736799812 602641037 /nfs/dbraw/zinc/64/10/37/602641037.db2.gz RWOSKZDZXDEVLC-UHFFFAOYSA-N -1 0 319.405 2.149 20 10 DECDRM CCCCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826774443 603032246 /nfs/dbraw/zinc/03/22/46/603032246.db2.gz GOWIXIYSLPZNMJ-AWEZNQCLSA-N -1 0 307.394 2.368 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)CC2(NC(=O)[O-])CCC2)cc1 ZINC000828355622 604071660 /nfs/dbraw/zinc/07/16/60/604071660.db2.gz NUWLQNSMVYAIKY-UHFFFAOYSA-N -1 0 319.405 2.291 20 10 DECDRM C[C@@H]1[C@H](C)OCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000380429910 604272926 /nfs/dbraw/zinc/27/29/26/604272926.db2.gz WHDSDPYVGONRMK-MRUFAENASA-N -1 0 306.318 2.306 20 10 DECDRM Cc1cncc(/C=C\C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000832986244 604692446 /nfs/dbraw/zinc/69/24/46/604692446.db2.gz FWCXWHCDITXHJO-WLMCBFPDSA-N -1 0 324.336 2.282 20 10 DECDRM C[C@@]1(O)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833570791 605162053 /nfs/dbraw/zinc/16/20/53/605162053.db2.gz DTYDRMYSTYLROS-CSPWOOARSA-N -1 0 306.318 2.044 20 10 DECDRM CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000833506069 605248199 /nfs/dbraw/zinc/24/81/99/605248199.db2.gz RRKXFHXRXYEREK-LBPRGKRZSA-N -1 0 319.760 2.495 20 10 DECDRM C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833566923 605528842 /nfs/dbraw/zinc/52/88/42/605528842.db2.gz IXJWTCFYIKOUBY-DQMTXMQQSA-N -1 0 319.357 2.261 20 10 DECDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1 ZINC000824294907 605583505 /nfs/dbraw/zinc/58/35/05/605583505.db2.gz VTJKHLAVMJLATG-AWEZNQCLSA-N -1 0 307.394 2.051 20 10 DECDRM O=C([O-])N[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000832790517 605828613 /nfs/dbraw/zinc/82/86/13/605828613.db2.gz YPQRAIAXTJMXKU-AWEZNQCLSA-N -1 0 300.314 2.017 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(F)ccc1F ZINC000726876626 636480052 /nfs/dbraw/zinc/48/00/52/636480052.db2.gz YCBBGIMWXXTAKD-LCYFTJDESA-N -1 0 300.264 2.426 20 10 DECDRM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894533763 637094308 /nfs/dbraw/zinc/09/43/08/637094308.db2.gz OYXUEKWFJKLWRV-TZMCWYRMSA-N -1 0 311.328 2.240 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H](C)[S@@]1=O ZINC000894747015 637189104 /nfs/dbraw/zinc/18/91/04/637189104.db2.gz GZAPCWDZMKKIPM-PHFRFRENSA-N -1 0 303.374 2.402 20 10 DECDRM C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000840976941 650399020 /nfs/dbraw/zinc/39/90/20/650399020.db2.gz IDKAUHVCISPDFH-PELKAZGASA-N -1 0 306.189 2.281 20 10 DECDRM CCC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725078 642085688 /nfs/dbraw/zinc/08/56/88/642085688.db2.gz HDLFAKFKSBYMDJ-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776748031 642204172 /nfs/dbraw/zinc/20/41/72/642204172.db2.gz SDQYQVVVTCQOED-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@H]1c1ncon1 ZINC000779622965 642517344 /nfs/dbraw/zinc/51/73/44/642517344.db2.gz KHLSNPRISDBUPN-NSHDSACASA-N -1 0 313.716 2.141 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C)c(C)c1O ZINC000783533265 643015467 /nfs/dbraw/zinc/01/54/67/643015467.db2.gz UQQHBXNEDBFZKI-UHFFFAOYSA-N -1 0 321.402 2.261 20 10 DECDRM C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000783733993 643044421 /nfs/dbraw/zinc/04/44/21/643044421.db2.gz PRFVKDSUWNJKIX-QMMMGPOBSA-N -1 0 303.189 2.362 20 10 DECDRM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c(F)ccc(O)c1[O-] ZINC000789947222 643793556 /nfs/dbraw/zinc/79/35/56/643793556.db2.gz RCWRTOBHZSXDRZ-UHFFFAOYSA-N -1 0 303.249 2.071 20 10 DECDRM O=C(Nc1ccc(-n2ccnc2)nc1)c1c(F)ccc(O)c1[O-] ZINC000789954711 643793849 /nfs/dbraw/zinc/79/38/49/643793849.db2.gz NMHITKKTJAOMSS-UHFFFAOYSA-N -1 0 314.276 2.070 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000843039789 650873678 /nfs/dbraw/zinc/87/36/78/650873678.db2.gz RDOYOKLAGDOFCG-SCZZXKLOSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000911494182 645723343 /nfs/dbraw/zinc/72/33/43/645723343.db2.gz RTVSHSRDPWIQCX-YRGRVCCFSA-N -1 0 303.358 2.242 20 10 DECDRM Nc1nccnc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837879 645995238 /nfs/dbraw/zinc/99/52/38/645995238.db2.gz DZRIXKOJZFHAOT-UHFFFAOYSA-N -1 0 313.144 2.001 20 10 DECDRM C[C@@H]1[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])CCS1(=O)=O ZINC000816514250 647145757 /nfs/dbraw/zinc/14/57/57/647145757.db2.gz RDAVWKVTYMARRH-DTWKUNHWSA-N -1 0 321.801 2.192 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)[N@H+]1CCO ZINC000824926147 648673242 /nfs/dbraw/zinc/67/32/42/648673242.db2.gz KRKRLOSOAVXHSO-PHIMTYICSA-N -1 0 316.804 2.072 20 10 DECDRM C[C@@H](O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)F ZINC000825098789 648703054 /nfs/dbraw/zinc/70/30/54/648703054.db2.gz OMDZEXXCBXOAHR-SSDOTTSWSA-N -1 0 324.711 2.402 20 10 DECDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000844210856 651093461 /nfs/dbraw/zinc/09/34/61/651093461.db2.gz LYNSRYLHFYGUTF-KTFZIVJCSA-N -1 0 320.345 2.432 20 10 DECDRM CN(Cc1ncc(Cl)n1C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279600 651319986 /nfs/dbraw/zinc/31/99/86/651319986.db2.gz HKILGIHDWZPZSL-UHFFFAOYSA-N -1 0 309.753 2.173 20 10 DECDRM CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929042474 693884915 /nfs/dbraw/zinc/88/49/15/693884915.db2.gz FLXOKEOMYQMECG-BXUZGUMPSA-N -1 0 307.394 2.222 20 10 DECDRM COc1ccc(Br)c(-n2[n-]c(C(C)=O)cc2=O)c1 ZINC000871959876 688902023 /nfs/dbraw/zinc/90/20/23/688902023.db2.gz ZJGNXZJUVHABAB-UHFFFAOYSA-N -1 0 311.135 2.139 20 10 DECDRM [O-]c1c(CN2CCN(CC(F)(F)F)CC2)ccc(F)c1F ZINC000876556080 689855316 /nfs/dbraw/zinc/85/53/16/689855316.db2.gz HULZCMQZUFXENU-UHFFFAOYSA-N -1 0 310.266 2.350 20 10 DECDRM CN(Cc1ncnn1CC(F)F)Cc1ccc(F)c(F)c1[O-] ZINC000877482954 690127229 /nfs/dbraw/zinc/12/72/29/690127229.db2.gz OKKWCJFYTBXRJV-UHFFFAOYSA-N -1 0 318.274 2.159 20 10 DECDRM CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001331983307 1149803956 /nfs/dbraw/zinc/80/39/56/1149803956.db2.gz RMPOIHPAYQXYHV-VIFPVBQESA-N -1 0 306.131 2.247 20 10 DECDRM COc1cc(C(=O)[O-])ccc1N(CCO)c1ccc(N)cc1 ZINC001174677768 794037694 /nfs/dbraw/zinc/03/76/94/794037694.db2.gz SGXMSLAKVLQJMJ-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM COc1cc(F)cc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001116293334 794948491 /nfs/dbraw/zinc/94/84/91/794948491.db2.gz OYQKHJZMVNDUQG-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM COC(=O)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001116483109 794958818 /nfs/dbraw/zinc/95/88/18/794958818.db2.gz CMGROVSBXORPKP-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001119611784 795329466 /nfs/dbraw/zinc/32/94/66/795329466.db2.gz LLGRVJBSAXLXMW-ZCFIWIBFSA-N -1 0 306.131 2.104 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1Cc2cncnc2C1 ZINC001139126248 796326039 /nfs/dbraw/zinc/32/60/39/796326039.db2.gz CRZMWPOGRGXBJR-UHFFFAOYSA-N -1 0 309.325 2.113 20 10 DECDRM Cc1sc([N-]S(=O)(=O)CC2CCCC2)c(C(N)=O)c1C ZINC001191488341 797207440 /nfs/dbraw/zinc/20/74/40/797207440.db2.gz AUQDPUMJNNKVNL-UHFFFAOYSA-N -1 0 316.448 2.396 20 10 DECDRM C[C@@H](NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ncc(F)cn1 ZINC001193634285 797597450 /nfs/dbraw/zinc/59/74/50/797597450.db2.gz UJDMGXPJCHAKBJ-ZCFIWIBFSA-N -1 0 311.700 2.171 20 10 DECDRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc(O)c1O ZINC001194093011 797681413 /nfs/dbraw/zinc/68/14/13/797681413.db2.gz PSXBZOZVWODYTQ-UHFFFAOYSA-N -1 0 320.326 2.181 20 10 DECDRM CN1CCOc2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc21 ZINC001160928283 798764307 /nfs/dbraw/zinc/76/43/07/798764307.db2.gz MXIVZVMNHZHJAT-UHFFFAOYSA-N -1 0 318.304 2.318 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCc3nc(Cl)ncc3C2)c1 ZINC001231564899 801686568 /nfs/dbraw/zinc/68/65/68/801686568.db2.gz JMUWWCSZSKTDSF-UHFFFAOYSA-N -1 0 319.748 2.092 20 10 DECDRM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000401329117 801825102 /nfs/dbraw/zinc/82/51/02/801825102.db2.gz BRYOCSYWCZERTM-SMYYYNMVSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@@H](O)CC(=O)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227937243 803296995 /nfs/dbraw/zinc/29/69/95/803296995.db2.gz GOHUQEYPRDEZCC-SNVBAGLBSA-N -1 0 316.309 2.005 20 10 DECDRM CO[C@H](C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-])C1CC1 ZINC001334842755 1150346453 /nfs/dbraw/zinc/34/64/53/1150346453.db2.gz ZUOMLRGKMWVABZ-QWHCGFSZSA-N -1 0 315.316 2.028 20 10 DECDRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC001594728448 957024945 /nfs/dbraw/zinc/02/49/45/957024945.db2.gz YIIHCZVDCJTVBN-NWDGAFQWSA-N -1 0 303.339 2.497 20 10 DECDRM C[C@@](CNC(=O)C1=CC(=O)CS1)(C(=O)[O-])c1ccccc1 ZINC001603184594 972287742 /nfs/dbraw/zinc/28/77/42/972287742.db2.gz FPRXGIPESNYYQT-HNNXBMFYSA-N -1 0 305.355 2.226 20 10 DECDRM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001349953887 962504834 /nfs/dbraw/zinc/50/48/34/962504834.db2.gz JAOZOQNSYBEZLH-OKILXGFUSA-N -1 0 302.374 2.014 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC001605187464 972906015 /nfs/dbraw/zinc/90/60/15/972906015.db2.gz ZLJWBHRHKWSUFR-CYBMUJFWSA-N -1 0 318.417 2.363 20 10 DECDRM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000703775684 977196971 /nfs/dbraw/zinc/19/69/71/977196971.db2.gz DSWAPWCKLWNMBP-ZDUSSCGKSA-N -1 0 320.172 2.375 20 10 DECDRM CC[C@@](NC(=O)c1cccc(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595270190 980285115 /nfs/dbraw/zinc/28/51/15/980285115.db2.gz BJQXDMSCECSBMS-KRWDZBQOSA-N -1 0 315.325 2.218 20 10 DECDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC001589458532 986903395 /nfs/dbraw/zinc/90/33/95/986903395.db2.gz PDMJEJOPKQZLCE-YVEFUNNKSA-N -1 0 312.369 2.390 20 10 DECDRM CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001598318250 991313290 /nfs/dbraw/zinc/31/32/90/991313290.db2.gz ZPLJFVFYOGSOEW-OKILXGFUSA-N -1 0 316.401 2.354 20 10 DECDRM COc1cncc(COc2ccc(N(C)C)c(C(=O)[O-])c2)c1 ZINC001599726009 991625305 /nfs/dbraw/zinc/62/53/05/991625305.db2.gz JPUKTMVMAPKOKN-UHFFFAOYSA-N -1 0 302.330 2.433 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)c1cnc(C(=O)[O-])cn1 ZINC001598519201 992657821 /nfs/dbraw/zinc/65/78/21/992657821.db2.gz KPOYNNHSZFYKED-UHFFFAOYSA-N -1 0 312.373 2.411 20 10 DECDRM C[C@@H](O)CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001593462079 995381139 /nfs/dbraw/zinc/38/11/39/995381139.db2.gz DITYOPKSRCTXCI-WXGCRTCVSA-N -1 0 306.318 2.042 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(F)c1 ZINC001602343903 1069612820 /nfs/dbraw/zinc/61/28/20/1069612820.db2.gz XTUGBTCKBFRZSL-UHFFFAOYSA-N -1 0 323.251 2.004 20 10 DECDRM O=C([O-])c1ccc2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCC2 ZINC001602423372 1069633901 /nfs/dbraw/zinc/63/39/01/1069633901.db2.gz FPLIFSSMPMHMAF-ZZXKWVIFSA-N -1 0 324.336 2.478 20 10 DECDRM O=C([O-])c1cnc(SC[C@H](O)c2ccc(F)cn2)s1 ZINC001602537612 1069667280 /nfs/dbraw/zinc/66/72/80/1069667280.db2.gz XGNYSCZYVNLBIF-QMMMGPOBSA-N -1 0 300.336 2.201 20 10 DECDRM CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001603917885 1070148751 /nfs/dbraw/zinc/14/87/51/1070148751.db2.gz STZIHTWLNDAQSJ-LBPRGKRZSA-N -1 0 319.760 2.495 20 10 DECDRM CC[C@H](C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC001604948747 1070544338 /nfs/dbraw/zinc/54/43/38/1070544338.db2.gz SNFYGQFAJDLQAI-KWZYSKORSA-N -1 0 307.346 2.117 20 10 DECDRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001604988062 1070556964 /nfs/dbraw/zinc/55/69/64/1070556964.db2.gz LQPOIAYZHKWHGG-VURMDHGXSA-N -1 0 307.346 2.261 20 10 DECDRM Cc1cc(C(=O)CN(C)CC(=O)[O-])c(C)n1-c1ccccc1 ZINC001607567971 1071479376 /nfs/dbraw/zinc/47/93/76/1071479376.db2.gz XAMDQSCAWVFBFU-UHFFFAOYSA-N -1 0 300.358 2.293 20 10 DECDRM Cc1cc(O)c(CN[C@@H](C(=O)[O-])c2ccn(C)n2)cc1Cl ZINC001607700024 1071532300 /nfs/dbraw/zinc/53/23/00/1071532300.db2.gz QUDSCWPJDROBGX-CYBMUJFWSA-N -1 0 309.753 2.003 20 10 DECDRM Cc1ccc(O)c(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001607811154 1071566971 /nfs/dbraw/zinc/56/69/71/1071566971.db2.gz LUQONWCFMNERNH-UHFFFAOYSA-N -1 0 302.330 2.195 20 10 DECDRM O=C([O-])[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC001610653214 1078058461 /nfs/dbraw/zinc/05/84/61/1078058461.db2.gz XVWWFVQLKOZBPB-KXQLTZBTSA-N -1 0 319.338 2.115 20 10 DECDRM NC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640402325 1078658704 /nfs/dbraw/zinc/65/87/04/1078658704.db2.gz PVLQKVSYMPPBHP-UHFFFAOYSA-N -1 0 319.748 2.466 20 10 DECDRM C[C@H](CC(F)(F)F)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC001520182339 1069105418 /nfs/dbraw/zinc/10/54/18/1069105418.db2.gz WCMONSIXAFEIIW-SECBINFHSA-N -1 0 319.279 2.394 20 10 DECDRM CC(C)Nc1ccccc1NCc1ncc(-c2nn[nH]n2)cn1 ZINC001589729727 1076508450 /nfs/dbraw/zinc/50/84/50/1076508450.db2.gz UUYLIERHNLBCAX-UHFFFAOYSA-N -1 0 310.365 2.089 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001600185671 1077154608 /nfs/dbraw/zinc/15/46/08/1077154608.db2.gz MLZDLDDCVNMOLG-NSHDSACASA-N -1 0 314.341 2.110 20 10 DECDRM Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)ncc1C(=O)[O-] ZINC001600265189 1077171883 /nfs/dbraw/zinc/17/18/83/1077171883.db2.gz WKGBEQTVFLHSTR-UHFFFAOYSA-N -1 0 313.313 2.342 20 10 DECDRM O=C([O-])C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC001601239205 1077364018 /nfs/dbraw/zinc/36/40/18/1077364018.db2.gz VHVWHVFGNRONRE-ALCCZGGFSA-N -1 0 319.357 2.262 20 10 DECDRM O=C([O-])[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC001601395971 1077388785 /nfs/dbraw/zinc/38/87/85/1077388785.db2.gz GMFUANYKZKZHFI-LLVKDONJSA-N -1 0 313.281 2.288 20 10 DECDRM O=C([O-])c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c[nH]1 ZINC001601538794 1077409184 /nfs/dbraw/zinc/40/91/84/1077409184.db2.gz HNPFXMOJQSEBDL-UHFFFAOYSA-N -1 0 313.357 2.243 20 10 DECDRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC001601900193 1077473200 /nfs/dbraw/zinc/47/32/00/1077473200.db2.gz VBTBLRDWWUMJLA-STMXVASLSA-N -1 0 319.357 2.261 20 10 DECDRM Cc1nccn1CCCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001607989535 1077573898 /nfs/dbraw/zinc/57/38/98/1077573898.db2.gz MTXUFVWUNLZYKA-UHFFFAOYSA-N -1 0 303.362 2.425 20 10 DECDRM O=C([O-])C[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCOC1 ZINC001608688061 1077677563 /nfs/dbraw/zinc/67/75/63/1077677563.db2.gz WJYKNUYKZUERMF-AWEZNQCLSA-N -1 0 317.744 2.298 20 10 DECDRM O=C([O-])Cn1ncc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC001608800751 1077697575 /nfs/dbraw/zinc/69/75/75/1077697575.db2.gz RRPPHUUUOKLSHK-UHFFFAOYSA-N -1 0 317.326 2.140 20 10 DECDRM C[C@H](CC(=O)[O-])SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001609735546 1077913241 /nfs/dbraw/zinc/91/32/41/1077913241.db2.gz IWDGZMWQNCOGCX-GFCCVEGCSA-N -1 0 324.446 2.307 20 10 DECDRM COC(=O)c1cnc(SCc2nc(C(=O)[O-])cs2)s1 ZINC001610219818 1077991569 /nfs/dbraw/zinc/99/15/69/1077991569.db2.gz ZSNGTHBLLLDVFJ-UHFFFAOYSA-N -1 0 316.385 2.377 20 10 DECDRM COCOc1ccccc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566056 1086559077 /nfs/dbraw/zinc/55/90/77/1086559077.db2.gz APLUDLYKQOJHJB-UHFFFAOYSA-N -1 0 315.285 2.193 20 10 DECDRM COc1ccc(F)cc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566393 1086560166 /nfs/dbraw/zinc/56/01/66/1086560166.db2.gz RFUWWMHPVULWAO-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM O=S(=O)(NCc1ccno1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429715 1142432168 /nfs/dbraw/zinc/43/21/68/1142432168.db2.gz ZBCKQWMIJJCJET-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM O=S(=O)([N-]c1ccc2ocnc2c1)c1cccc2nonc21 ZINC001260440379 1144187258 /nfs/dbraw/zinc/18/72/58/1144187258.db2.gz MHFDJFUHILDZQJ-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001260649314 1144194401 /nfs/dbraw/zinc/19/44/01/1144194401.db2.gz UBDPVHWOTUKJQO-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)cc1F ZINC001260661388 1144195214 /nfs/dbraw/zinc/19/52/14/1144195214.db2.gz ATLLRHFWQLEKRU-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCCC2 ZINC001262181828 1144297840 /nfs/dbraw/zinc/29/78/40/1144297840.db2.gz ZDZBOCNZRVWOTJ-ZDUSSCGKSA-N -1 0 303.358 2.386 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CN[C@H](c2ncccn2)C2CC2)c1 ZINC001308530613 1147478010 /nfs/dbraw/zinc/47/80/10/1147478010.db2.gz MUNOAYBHZZWAIY-AWEZNQCLSA-N -1 0 300.318 2.331 20 10 DECDRM COCCN(CCCCC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000294827423 224247813 /nfs/dbraw/zinc/24/78/13/224247813.db2.gz SBEVASNHAFCLKM-UHFFFAOYSA-N -1 0 311.378 2.412 20 10 DECDRM C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546775 130135702 /nfs/dbraw/zinc/13/57/02/130135702.db2.gz ZOAPDUGXTKRXKN-HQJQHLMTSA-N -1 0 308.256 2.264 20 10 DECDRM Cc1noc([C@H]2CCCCN2C(=O)c2cccc(O)c2O)n1 ZINC000286371112 403511291 /nfs/dbraw/zinc/51/12/91/403511291.db2.gz JYGWDNMKLGIOJQ-LLVKDONJSA-N -1 0 303.318 2.157 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[S@@](=O)C1 ZINC000294799638 403734502 /nfs/dbraw/zinc/73/45/02/403734502.db2.gz VVSINTNZVWENJS-ZRNGKTOUSA-N -1 0 305.802 2.385 20 10 DECDRM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCS(=O)(=O)C1 ZINC000365463053 404666921 /nfs/dbraw/zinc/66/69/21/404666921.db2.gz QZRBZOMHCTXNTA-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM CO[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000319902293 599809336 /nfs/dbraw/zinc/80/93/36/599809336.db2.gz HVZPQXCOIVGPFJ-PZBABLGHSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@@H](O)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736674881 600240832 /nfs/dbraw/zinc/24/08/32/600240832.db2.gz HCTASFDGMJZXSN-USEMIUTHSA-N -1 0 320.345 2.290 20 10 DECDRM CN(C)c1ccc(CNC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000737376053 600526007 /nfs/dbraw/zinc/52/60/07/600526007.db2.gz BUNQHFDPEGUOKR-UHFFFAOYSA-N -1 0 317.345 2.043 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000041091052 600678574 /nfs/dbraw/zinc/67/85/74/600678574.db2.gz ULGDHWVWUVDVGN-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000738463394 600678987 /nfs/dbraw/zinc/67/89/87/600678987.db2.gz AAINTXSKKYGUSS-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cn1cc(/C=C/C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cn1 ZINC000390853347 600857932 /nfs/dbraw/zinc/85/79/32/600857932.db2.gz JLSGFGAQGWHASW-KTRBRXNASA-N -1 0 311.341 2.038 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000738042419 602573805 /nfs/dbraw/zinc/57/38/05/602573805.db2.gz VAVHWPDODXMZAV-ZWNOBZJWSA-N -1 0 324.377 2.260 20 10 DECDRM CC(C)=CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824039018 603025130 /nfs/dbraw/zinc/02/51/30/603025130.db2.gz QRRZWLLNQYKRLU-CQSZACIVSA-N -1 0 305.378 2.144 20 10 DECDRM C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)C1CC1 ZINC000823687604 603682048 /nfs/dbraw/zinc/68/20/48/603682048.db2.gz XXILGMQICVYMEK-NHYWBVRUSA-N -1 0 319.405 2.224 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000829484862 604221947 /nfs/dbraw/zinc/22/19/47/604221947.db2.gz WMRDWVVOLSAYLV-SNVBAGLBSA-N -1 0 322.361 2.158 20 10 DECDRM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1O ZINC000148136135 604827243 /nfs/dbraw/zinc/82/72/43/604827243.db2.gz YTENGUCWQDKFPC-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM CC(C)CN1C(=O)C(=CNC2CCCCCC2)C(=O)NC1=S ZINC000255710355 625636814 /nfs/dbraw/zinc/63/68/14/625636814.db2.gz NSWSSINXGBKWMI-UKTHLTGXSA-N -1 0 323.462 2.082 20 10 DECDRM COC(=O)[C@@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000179898990 625908322 /nfs/dbraw/zinc/90/83/22/625908322.db2.gz QBGGXQWORCPMAX-NSHDSACASA-N -1 0 314.179 2.292 20 10 DECDRM O=C(NCc1ccccc1O)c1nn(-c2ccccc2)cc1[O-] ZINC000743328755 638135061 /nfs/dbraw/zinc/13/50/61/638135061.db2.gz VGHNBNKKVBDQTM-UHFFFAOYSA-N -1 0 309.325 2.214 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNCc2nnc(C3CC3)s2)c1 ZINC000840973356 650397735 /nfs/dbraw/zinc/39/77/35/650397735.db2.gz KNVRECOBVIAEFD-UHFFFAOYSA-N -1 0 306.347 2.319 20 10 DECDRM Cn1nc2c(c1C[NH2+]Cc1c([O-])cccc1F)CSCC2 ZINC000896644638 638618085 /nfs/dbraw/zinc/61/80/85/638618085.db2.gz YJPVLTLRNMIQTK-UHFFFAOYSA-N -1 0 307.394 2.344 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCO2 ZINC000728697283 639288298 /nfs/dbraw/zinc/28/82/98/639288298.db2.gz MOIUWUAKPXQZHX-PTNGSMBKSA-N -1 0 306.321 2.083 20 10 DECDRM COc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1 ZINC000766048783 640841808 /nfs/dbraw/zinc/84/18/08/640841808.db2.gz WEVCRRWOMQXHKR-UHFFFAOYSA-N -1 0 321.354 2.404 20 10 DECDRM O=C(Nc1cnn([C@H]2CCCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000899330993 642037782 /nfs/dbraw/zinc/03/77/82/642037782.db2.gz FCKWDRSRVHVIBK-GFCCVEGCSA-N -1 0 321.308 2.385 20 10 DECDRM Cc1cccc(CS(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776434681 642172802 /nfs/dbraw/zinc/17/28/02/642172802.db2.gz JNRGHWMGVAOTSD-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000779622958 642517197 /nfs/dbraw/zinc/51/71/97/642517197.db2.gz KHLSNPRISDBUPN-LLVKDONJSA-N -1 0 313.716 2.141 20 10 DECDRM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842628322 650786835 /nfs/dbraw/zinc/78/68/35/650786835.db2.gz WUWBPVMPDPPOOT-CYBMUJFWSA-N -1 0 304.390 2.260 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)CCC(=O)[O-])cc2)CC1 ZINC000842627448 650787264 /nfs/dbraw/zinc/78/72/64/650787264.db2.gz IKRBDSBIGMTFGL-UHFFFAOYSA-N -1 0 304.390 2.404 20 10 DECDRM O=C(Nc1cccc(-n2ccnn2)c1)c1c([O-])c(O)ccc1F ZINC000789996938 643802249 /nfs/dbraw/zinc/80/22/49/643802249.db2.gz VHNICAOBBRVOPI-UHFFFAOYSA-N -1 0 314.276 2.070 20 10 DECDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1 ZINC000797820330 644927969 /nfs/dbraw/zinc/92/79/69/644927969.db2.gz RTJXOLKRSLZVEL-UHFFFAOYSA-N -1 0 315.372 2.272 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@]12CCOC2 ZINC000799738294 645216066 /nfs/dbraw/zinc/21/60/66/645216066.db2.gz XRYJHBZLLRZUQJ-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM Cc1cc(C(=O)[O-])oc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000911300433 645672838 /nfs/dbraw/zinc/67/28/38/645672838.db2.gz LGYDQXGNPNHDHO-UHFFFAOYSA-N -1 0 320.320 2.421 20 10 DECDRM CS[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359959 645684380 /nfs/dbraw/zinc/68/43/80/645684380.db2.gz IWMAMCBRHBRUIA-QMMMGPOBSA-N -1 0 317.794 2.210 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)C1CC2(CCC2)C1 ZINC000911492741 645723308 /nfs/dbraw/zinc/72/33/08/645723308.db2.gz JLXRAZMLPWUNPI-UHFFFAOYSA-N -1 0 303.358 2.386 20 10 DECDRM O=C([O-])CCCC(=O)NCc1cc(Br)ccc1O ZINC000911556963 645738185 /nfs/dbraw/zinc/73/81/85/645738185.db2.gz XVRCZMMLAGKCBM-UHFFFAOYSA-N -1 0 316.151 2.026 20 10 DECDRM COC(=O)[C@@H](CC(F)F)NCc1cc(Cl)c(F)cc1[O-] ZINC000816590331 647156168 /nfs/dbraw/zinc/15/61/68/647156168.db2.gz XIPCVRHFIJBLHC-SECBINFHSA-N -1 0 311.687 2.471 20 10 DECDRM CCC(CC)(CNC(=O)NCc1cccc(OC)c1O)C(=O)[O-] ZINC000818626723 647491729 /nfs/dbraw/zinc/49/17/29/647491729.db2.gz HDDSRXPXKAPKPN-UHFFFAOYSA-N -1 0 324.377 2.091 20 10 DECDRM O=C(NCc1ccc(O)c(O)c1)c1cc(F)c(F)c([O-])c1F ZINC000183331251 649060884 /nfs/dbraw/zinc/06/08/84/649060884.db2.gz NPNPDIPQOVKULX-UHFFFAOYSA-N -1 0 313.231 2.151 20 10 DECDRM Cc1cc(Br)c(O)c(CN2CCc3nn[nH]c3C2)c1 ZINC000827884461 649099111 /nfs/dbraw/zinc/09/91/11/649099111.db2.gz CDRYOSKJODKQND-UHFFFAOYSA-N -1 0 323.194 2.140 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000844210400 651092950 /nfs/dbraw/zinc/09/29/50/651092950.db2.gz VVGKOQOBPBTPQO-HYXAFXHYSA-N -1 0 318.329 2.452 20 10 DECDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000844929563 651184519 /nfs/dbraw/zinc/18/45/19/651184519.db2.gz LAPHIBUCZLLTRB-JYKYSHPRSA-N -1 0 322.317 2.080 20 10 DECDRM Cc1noc(CN(C)Cc2cccc(Br)c2[O-])n1 ZINC000848927220 651564601 /nfs/dbraw/zinc/56/46/01/651564601.db2.gz CEFOIOLXZLEIBT-UHFFFAOYSA-N -1 0 312.167 2.478 20 10 DECDRM C[C@@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ncnn21 ZINC000850352293 651908092 /nfs/dbraw/zinc/90/80/92/651908092.db2.gz RETKMSZOFQHARV-XCBNKYQSSA-N -1 0 323.740 2.341 20 10 DECDRM O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000852952475 652483832 /nfs/dbraw/zinc/48/38/32/652483832.db2.gz XUHJYAYEUSEXFB-OAHLLOKOSA-N -1 0 302.374 2.014 20 10 DECDRM CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000119842475 684088076 /nfs/dbraw/zinc/08/80/76/684088076.db2.gz MHUSADDUBZAHCY-UHFFFAOYSA-N -1 0 318.358 2.090 20 10 DECDRM C[C@@H](NC(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(N(C)C)cc1 ZINC000929042483 693884879 /nfs/dbraw/zinc/88/48/79/693884879.db2.gz FQJPNNVVZZFKTH-ZBFVHZJFSA-N -1 0 317.389 2.072 20 10 DECDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000194107586 685056905 /nfs/dbraw/zinc/05/69/05/685056905.db2.gz BMWVMHREVAGAED-UHFFFAOYSA-N -1 0 312.278 2.240 20 10 DECDRM CCOC(=O)[C@]1(C)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000877704516 690197117 /nfs/dbraw/zinc/19/71/17/690197117.db2.gz PQXOSFSVIGKSCF-HNNXBMFYSA-N -1 0 313.781 2.200 20 10 DECDRM O=C([O-])[C@H](CCF)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001332018528 1149808969 /nfs/dbraw/zinc/80/89/69/1149808969.db2.gz ZVHAGRVDMJLEKU-VIFPVBQESA-N -1 0 324.121 2.196 20 10 DECDRM CCCCC(=O)[C@H](C)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889175 791639349 /nfs/dbraw/zinc/63/93/49/791639349.db2.gz ACCHASJESWWZQX-LBPRGKRZSA-N -1 0 315.373 2.043 20 10 DECDRM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001119550391 795321741 /nfs/dbraw/zinc/32/17/41/795321741.db2.gz SXOSRHXQHHOUCR-LDYMZIIASA-N -1 0 317.744 2.297 20 10 DECDRM CN(C(N)=O)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001183334007 795857509 /nfs/dbraw/zinc/85/75/09/795857509.db2.gz RCNSRCPUIWKCES-UHFFFAOYSA-N -1 0 319.292 2.004 20 10 DECDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2O)c1 ZINC001192763607 797441827 /nfs/dbraw/zinc/44/18/27/797441827.db2.gz MEVDJOMQIHCIPL-UHFFFAOYSA-N -1 0 323.370 2.470 20 10 DECDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(O)c2O)c1 ZINC001196761516 798100188 /nfs/dbraw/zinc/10/01/88/798100188.db2.gz PPNWSOVSZWEMPN-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC001198773050 798394182 /nfs/dbraw/zinc/39/41/82/798394182.db2.gz QBVYYKHFMHRYSL-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM CCOC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000932642374 799870979 /nfs/dbraw/zinc/87/09/79/799870979.db2.gz CIHDTQMQAVSMMR-NSHDSACASA-N -1 0 309.337 2.119 20 10 DECDRM O=C([O-])c1ccc(CN2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001231454607 801669503 /nfs/dbraw/zinc/66/95/03/801669503.db2.gz SMHHDJIRIMVTBB-HNNXBMFYSA-N -1 0 314.341 2.059 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCO[C@H](c3ccncc3)C2)c1 ZINC001231566217 801687709 /nfs/dbraw/zinc/68/77/09/801687709.db2.gz VEQIOVFXHQVFQU-INIZCTEOSA-N -1 0 314.341 2.059 20 10 DECDRM O=C([O-])C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC001334056654 1150180562 /nfs/dbraw/zinc/18/05/62/1150180562.db2.gz RRGDFYKBLKOMIF-ZETCQYMHSA-N -1 0 313.222 2.413 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC001593883021 955727070 /nfs/dbraw/zinc/72/70/70/955727070.db2.gz MZWQUWFSBGZBJW-XSRFYTQQSA-N -1 0 321.373 2.473 20 10 DECDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001594220871 959372435 /nfs/dbraw/zinc/37/24/35/959372435.db2.gz BYFMZHURADSQPR-ACJLOTCBSA-N -1 0 316.401 2.356 20 10 DECDRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(N(C)C)cc1 ZINC001573611463 959483457 /nfs/dbraw/zinc/48/34/57/959483457.db2.gz UBBFLMLRLJNQSO-PIGZYNQJSA-N -1 0 304.390 2.431 20 10 DECDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000317676002 970377786 /nfs/dbraw/zinc/37/77/86/970377786.db2.gz LIBNDMHHZUCUIT-CYBMUJFWSA-N -1 0 304.390 2.161 20 10 DECDRM C[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1O ZINC001605042472 972658667 /nfs/dbraw/zinc/65/86/67/972658667.db2.gz QBWPPZWWUIHWLU-VIFPVBQESA-N -1 0 301.302 2.368 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001605296364 973107611 /nfs/dbraw/zinc/10/76/11/973107611.db2.gz FSWULNGPJXELEU-UHFFFAOYSA-N -1 0 314.341 2.398 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001605634218 973983638 /nfs/dbraw/zinc/98/36/38/973983638.db2.gz IVQOYOBHDHRGQU-UHFFFAOYSA-N -1 0 313.273 2.195 20 10 DECDRM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708089113 977415614 /nfs/dbraw/zinc/41/56/14/977415614.db2.gz KBMPNHIWGZGKGQ-JTQLQIEISA-N -1 0 303.330 2.063 20 10 DECDRM C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1ccc(N(C)C)cc1 ZINC001592998914 980209871 /nfs/dbraw/zinc/20/98/71/980209871.db2.gz PUATUUMYBLJENO-OSSATUEASA-N -1 0 302.374 2.185 20 10 DECDRM CC(C)(O)[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590893789 990833688 /nfs/dbraw/zinc/83/36/88/990833688.db2.gz PUDSHYWCMFIYCP-FVOPLDGLSA-N -1 0 320.345 2.290 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001598320644 991317823 /nfs/dbraw/zinc/31/78/23/991317823.db2.gz KIQIKJPGXRJQPM-UHFFFAOYSA-N -1 0 314.345 2.168 20 10 DECDRM C[C@H](NC(=S)NCCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593189616 994112896 /nfs/dbraw/zinc/11/28/96/994112896.db2.gz HSTKOWPTIULKEM-NSHDSACASA-N -1 0 309.435 2.143 20 10 DECDRM COC(=O)CC1(COc2ccc(N(C)C)c(C(=O)[O-])c2)CC1 ZINC001598842820 996539671 /nfs/dbraw/zinc/53/96/71/996539671.db2.gz WRQTUPGJRNYGSJ-UHFFFAOYSA-N -1 0 307.346 2.173 20 10 DECDRM C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001594434592 999613589 /nfs/dbraw/zinc/61/35/89/999613589.db2.gz YPKMALFCRDXOIK-VWRYTFAISA-N -1 0 320.345 2.147 20 10 DECDRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC001602419976 1069632894 /nfs/dbraw/zinc/63/28/94/1069632894.db2.gz NOURZKXJNPQHHC-UHFFFAOYSA-N -1 0 303.339 2.350 20 10 DECDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(O)c2O)n1 ZINC001603281403 1069932282 /nfs/dbraw/zinc/93/22/82/1069932282.db2.gz RFKXAPXHPUKDRL-UHFFFAOYSA-N -1 0 322.342 2.169 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001607667775 1071518853 /nfs/dbraw/zinc/51/88/53/1071518853.db2.gz SFYFCMOMDSTIEZ-WFASDCNBSA-N -1 0 319.405 2.066 20 10 DECDRM O=C([O-])CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001610776221 1078075118 /nfs/dbraw/zinc/07/51/18/1078075118.db2.gz SXJGNDLZGWREPW-UHFFFAOYSA-N -1 0 317.297 2.204 20 10 DECDRM CC(C)(O)c1cnc(NC(=O)c2c(F)ccc(O)c2[O-])s1 ZINC001611423298 1078100963 /nfs/dbraw/zinc/10/09/63/1078100963.db2.gz CZFTUDKRMATEOE-UHFFFAOYSA-N -1 0 312.322 2.173 20 10 DECDRM Cc1cc(NC(=O)c2ccc(C)c(O)c2O)cc(C(N)=O)c1 ZINC001628029355 1078287361 /nfs/dbraw/zinc/28/73/61/1078287361.db2.gz YQHXZGKFPAOHGZ-UHFFFAOYSA-N -1 0 300.314 2.066 20 10 DECDRM [O-]c1c(C[NH2+]Cc2nnc(C(F)(F)F)[n-]2)ccc(F)c1F ZINC001561058710 1075150797 /nfs/dbraw/zinc/15/07/97/1075150797.db2.gz ZMKJUAKVQXVXPH-UHFFFAOYSA-N -1 0 308.210 2.097 20 10 DECDRM Nc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601216283 1077358461 /nfs/dbraw/zinc/35/84/61/1077358461.db2.gz UDCZPYQOCSMVRK-HNNXBMFYSA-N -1 0 316.332 2.283 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601880851 1077469101 /nfs/dbraw/zinc/46/91/01/1077469101.db2.gz IRBLAAYTAJROJZ-RQOWECAXSA-N -1 0 318.329 2.452 20 10 DECDRM O=C([O-])c1cc(/C=C2/SC(=S)N(C3CCC3)C2=O)c[nH]1 ZINC001602255035 1077535112 /nfs/dbraw/zinc/53/51/12/1077535112.db2.gz XSINFQNRUCIBOM-BJMVGYQFSA-N -1 0 308.384 2.467 20 10 DECDRM Nc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001608273090 1077619804 /nfs/dbraw/zinc/61/98/04/1077619804.db2.gz QOFHYUSNTNOBKP-HRCADAONSA-N -1 0 316.401 2.303 20 10 DECDRM C[C@H]1CCCCN1C(=O)CSc1ncc(C(=O)[O-])s1 ZINC001609853426 1077938669 /nfs/dbraw/zinc/93/86/69/1077938669.db2.gz WKSKLYILICOKKC-QMMMGPOBSA-N -1 0 300.405 2.334 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1F ZINC001610105816 1077980584 /nfs/dbraw/zinc/98/05/84/1077980584.db2.gz YBCIJYFMJXXIQH-JOCQHMNTSA-N -1 0 322.380 2.399 20 10 DECDRM O=C1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1F ZINC001235069413 1084299512 /nfs/dbraw/zinc/29/95/12/1084299512.db2.gz SSYGEFSIQLHMRW-SNVBAGLBSA-N -1 0 320.133 2.407 20 10 DECDRM CCOC(=O)CN(C)Cc1cc(F)cc(Br)c1[O-] ZINC001235293571 1084375104 /nfs/dbraw/zinc/37/51/04/1084375104.db2.gz JCONVHUTTNOPQG-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM COc1cc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)ccc1F ZINC001212565353 1086557060 /nfs/dbraw/zinc/55/70/60/1086557060.db2.gz LJTPIKBVEALVCG-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2cncnc2)CC1 ZINC001237623079 1138722202 /nfs/dbraw/zinc/72/22/02/1138722202.db2.gz HDYREZZAIVVHFM-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM Oc1cc(Cl)c(F)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237935211 1138811040 /nfs/dbraw/zinc/81/10/40/1138811040.db2.gz RNRKCOYIGBIKJP-STQMWFEESA-N -1 0 309.715 2.429 20 10 DECDRM OC[C@@H]1C[C@H]2OCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237934581 1138811289 /nfs/dbraw/zinc/81/12/89/1138811289.db2.gz LAFHEATVZDNPIH-JBCWJZNQSA-N -1 0 315.772 2.156 20 10 DECDRM Cc1nnc(CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])o1 ZINC001253421383 1142870665 /nfs/dbraw/zinc/87/06/65/1142870665.db2.gz NSXAWIWMMRKDFY-UHFFFAOYSA-N -1 0 315.329 2.130 20 10 DECDRM Cn1c(=O)cc(NCc2cc(Cl)cc(Cl)c2[O-])[nH]c1=O ZINC001307132924 1147398734 /nfs/dbraw/zinc/39/87/34/1147398734.db2.gz CJFIUSULZCRGEB-UHFFFAOYSA-N -1 0 316.144 2.110 20 10 DECDRM Cc1cc(F)c(S(=O)(=O)NCc2ccccc2O)c(F)c1 ZINC001309218961 1147498090 /nfs/dbraw/zinc/49/80/90/1147498090.db2.gz LQPLDRJZLZSCMB-UHFFFAOYSA-N -1 0 313.325 2.457 20 10 DECDRM O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294706452 224181723 /nfs/dbraw/zinc/18/17/23/224181723.db2.gz OMINXADSLJTKFB-LLVKDONJSA-N -1 0 312.772 2.381 20 10 DECDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1 ZINC000274753751 130258835 /nfs/dbraw/zinc/25/88/35/130258835.db2.gz FPKHAESELVWIRX-UHFFFAOYSA-N -1 0 309.391 2.335 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293628653 403523251 /nfs/dbraw/zinc/52/32/51/403523251.db2.gz MZDYZRDQOLQYFH-JTQLQIEISA-N -1 0 321.801 2.194 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[S@](=O)C1 ZINC000294799629 403734173 /nfs/dbraw/zinc/73/41/73/403734173.db2.gz VVSINTNZVWENJS-UGZDLDLSSA-N -1 0 305.802 2.385 20 10 DECDRM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)S1(=O)=O ZINC000290868803 404344538 /nfs/dbraw/zinc/34/45/38/404344538.db2.gz KCDHMEXZRWBSOB-UWVGGRQHSA-N -1 0 303.811 2.053 20 10 DECDRM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)S1(=O)=O ZINC000289789179 287201068 /nfs/dbraw/zinc/20/10/68/287201068.db2.gz LUWZVOXTLQLYJV-CMPLNLGQSA-N -1 0 317.838 2.443 20 10 DECDRM C[C@@H](NCc1cc(Br)ccc1O)c1nncn1C ZINC000222026951 337175989 /nfs/dbraw/zinc/17/59/89/337175989.db2.gz ILQHFRDJNHINSO-MRVPVSSYSA-N -1 0 311.183 2.134 20 10 DECDRM Cc1nc([C@@H]2COCCN2Cc2cccc(Cl)c2[O-])no1 ZINC000374822606 534586731 /nfs/dbraw/zinc/58/67/31/534586731.db2.gz SRFFUWQVSZBDMW-LBPRGKRZSA-N -1 0 309.753 2.311 20 10 DECDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000266487017 523660123 /nfs/dbraw/zinc/66/01/23/523660123.db2.gz UWIIGQLWDLNLNH-UHFFFAOYSA-N -1 0 309.391 2.335 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN(CCO)CC(F)F)c1[O-] ZINC000193018512 527333333 /nfs/dbraw/zinc/33/33/33/527333333.db2.gz ODMONKGLGMEXDU-UHFFFAOYSA-N -1 0 310.684 2.013 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c1O ZINC000738104767 599762166 /nfs/dbraw/zinc/76/21/66/599762166.db2.gz PSFSPOFULPQRFD-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000739625346 599779229 /nfs/dbraw/zinc/77/92/29/599779229.db2.gz OXLJFGZPLUMQKE-DIECRNLCSA-N -1 0 320.345 2.291 20 10 DECDRM C[C@@H](O)C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736674873 600240569 /nfs/dbraw/zinc/24/05/69/600240569.db2.gz HCTASFDGMJZXSN-JOAKQRRISA-N -1 0 320.345 2.290 20 10 DECDRM CN(Cc1cnccn1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737497198 600397071 /nfs/dbraw/zinc/39/70/71/600397071.db2.gz SRCNFGROYRROOO-HYXAFXHYSA-N -1 0 314.301 2.119 20 10 DECDRM COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738043638 600455589 /nfs/dbraw/zinc/45/55/89/600455589.db2.gz DNHMVGDYOMSHDT-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(O)c1O ZINC000832911864 601333608 /nfs/dbraw/zinc/33/36/08/601333608.db2.gz YAOHVHHMNBNZJY-SNVBAGLBSA-N -1 0 321.354 2.414 20 10 DECDRM C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCC(=O)[O-] ZINC000827922445 601868055 /nfs/dbraw/zinc/86/80/55/601868055.db2.gz QOPHVQFBOTUQSQ-ZETCQYMHSA-N -1 0 302.421 2.122 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827156246 604125240 /nfs/dbraw/zinc/12/52/40/604125240.db2.gz DEVMXDWZHVVTOL-ZDUSSCGKSA-N -1 0 321.421 2.347 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC[C@@H](N(C)C(=O)[O-])C2)c1O ZINC000823626713 604223632 /nfs/dbraw/zinc/22/36/32/604223632.db2.gz BDCGOWRJRAPALL-CYBMUJFWSA-N -1 0 324.352 2.308 20 10 DECDRM CC(C)[N@H+](CC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833497379 604557873 /nfs/dbraw/zinc/55/78/73/604557873.db2.gz QHWXHEWJJLNOQH-UHFFFAOYSA-N -1 0 302.714 2.249 20 10 DECDRM C[C@H](CC(=O)NCc1ccccc1O)C1CCN(C(=O)[O-])CC1 ZINC000824665595 605285684 /nfs/dbraw/zinc/28/56/84/605285684.db2.gz VUVMFGRLBBUPFV-GFCCVEGCSA-N -1 0 320.389 2.425 20 10 DECDRM CN(CCNC(=O)OC(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000833693606 605435679 /nfs/dbraw/zinc/43/56/79/605435679.db2.gz HAZUHZFFNWUJSY-UHFFFAOYSA-N -1 0 324.377 2.111 20 10 DECDRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1 ZINC000833838932 605675362 /nfs/dbraw/zinc/67/53/62/605675362.db2.gz SQAYVGNHQPHPIL-INIZCTEOSA-N -1 0 307.394 2.053 20 10 DECDRM CCS(=O)(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000195164140 625776498 /nfs/dbraw/zinc/77/64/98/625776498.db2.gz VEBUUPFBZFPDSS-UHFFFAOYSA-N -1 0 317.838 2.445 20 10 DECDRM CCN(Cc1cc(F)cc(F)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000894025457 636095079 /nfs/dbraw/zinc/09/50/79/636095079.db2.gz BBZRRKBFWXXOFS-SNVBAGLBSA-N -1 0 321.389 2.316 20 10 DECDRM CCOCc1nc([C@@H](C)NCc2cc(F)cc(F)c2[O-])no1 ZINC000894795142 637211870 /nfs/dbraw/zinc/21/18/70/637211870.db2.gz PRIWHTOBICHGKP-MRVPVSSYSA-N -1 0 313.304 2.441 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2[nH]nc(C)c2[O-])cc1F ZINC000749246489 638628347 /nfs/dbraw/zinc/62/83/47/638628347.db2.gz HZOJXMMOPGUEAF-UHFFFAOYSA-N -1 0 320.368 2.339 20 10 DECDRM O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc([O-])cs1 ZINC000757433227 639800573 /nfs/dbraw/zinc/80/05/73/639800573.db2.gz BHEYKCKRTYEULH-UHFFFAOYSA-N -1 0 318.276 2.430 20 10 DECDRM CCS(=O)(=O)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841886620 650593368 /nfs/dbraw/zinc/59/33/68/650593368.db2.gz VIGIIOGYGOIKLI-UHFFFAOYSA-N -1 0 324.229 2.318 20 10 DECDRM COc1ccsc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000764412354 640632631 /nfs/dbraw/zinc/63/26/31/640632631.db2.gz QTNWKIOHUREZMC-XBXARRHUSA-N -1 0 315.397 2.043 20 10 DECDRM Cn1nccc1[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000897559393 640797131 /nfs/dbraw/zinc/79/71/31/640797131.db2.gz VKRWCANAVPQWRY-AWEZNQCLSA-N -1 0 307.781 2.353 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000775665822 642075757 /nfs/dbraw/zinc/07/57/57/642075757.db2.gz KRRLLEXMHFLMGX-QWHCGFSZSA-N -1 0 312.772 2.428 20 10 DECDRM COC(=O)[C@@H](COC(C)C)N(C)Cc1cccc(Cl)c1[O-] ZINC000775742678 642087336 /nfs/dbraw/zinc/08/73/36/642087336.db2.gz WCZISBBHUZSKGC-CYBMUJFWSA-N -1 0 315.797 2.444 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(N)=O)C1 ZINC000779203537 642471816 /nfs/dbraw/zinc/47/18/16/642471816.db2.gz DHPRADOKFBSPNK-QPUJVOFHSA-N -1 0 300.761 2.271 20 10 DECDRM O=C([O-])[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000780401947 642620986 /nfs/dbraw/zinc/62/09/86/642620986.db2.gz URZSYJJVQCJYNN-OAHLLOKOSA-N -1 0 317.389 2.045 20 10 DECDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccns1 ZINC000901664180 642746764 /nfs/dbraw/zinc/74/67/64/642746764.db2.gz LBWBTGHLIWGXQH-UHFFFAOYSA-N -1 0 314.388 2.437 20 10 DECDRM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000790071598 643813757 /nfs/dbraw/zinc/81/37/57/643813757.db2.gz ZRMGFKJQVDTKHF-UHFFFAOYSA-N -1 0 314.276 2.274 20 10 DECDRM CCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000790607558 643871617 /nfs/dbraw/zinc/87/16/17/643871617.db2.gz WYQFUNDLKBUWKR-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM CN(Cc1nnc2n1CCC2)Cc1c([O-])ccc(Cl)c1F ZINC000792156367 644081375 /nfs/dbraw/zinc/08/13/75/644081375.db2.gz BODCHRBTGVCJHI-UHFFFAOYSA-N -1 0 310.760 2.354 20 10 DECDRM COC(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167032 644082629 /nfs/dbraw/zinc/08/26/29/644082629.db2.gz KAMVIMOXLDGYEQ-UHFFFAOYSA-N -1 0 302.733 2.069 20 10 DECDRM CC(C)CN1CCN(Cc2c([O-])ccc(Cl)c2F)CC1=O ZINC000792179083 644084864 /nfs/dbraw/zinc/08/48/64/644084864.db2.gz GLHUMBHPJNMYEM-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM CCCN(CC(=O)[O-])c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000794401317 644410460 /nfs/dbraw/zinc/41/04/60/644410460.db2.gz DUPPJUNMGFISNI-ALCCZGGFSA-N -1 0 322.317 2.082 20 10 DECDRM CC1(C)CS(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843408659 650968045 /nfs/dbraw/zinc/96/80/45/650968045.db2.gz IMIJKYLQUVTHSK-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000800837149 645310329 /nfs/dbraw/zinc/31/03/29/645310329.db2.gz PRCOEVOBYQIRBD-UHFFFAOYSA-N -1 0 307.327 2.230 20 10 DECDRM CN(Cc1ccccc1O)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000911229650 645662609 /nfs/dbraw/zinc/66/26/09/645662609.db2.gz HXQJOEQQSKKJJF-UHFFFAOYSA-N -1 0 303.358 2.386 20 10 DECDRM COc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1O ZINC000911337927 645684047 /nfs/dbraw/zinc/68/40/47/645684047.db2.gz ZWSNJNYFOYJOKG-UHFFFAOYSA-N -1 0 321.373 2.442 20 10 DECDRM CC[C@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC000911490108 645722586 /nfs/dbraw/zinc/72/25/86/645722586.db2.gz YBWSVOIRBFPSGU-OCCSQVGLSA-N -1 0 321.373 2.011 20 10 DECDRM C[C@@](O)(C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000813685552 646799298 /nfs/dbraw/zinc/79/92/98/646799298.db2.gz KLDAAACMXMYHGI-ZDUSSCGKSA-N -1 0 304.173 2.476 20 10 DECDRM O=S(=O)(Nc1cccc(O)c1F)c1cc(F)cc(F)c1[O-] ZINC000821192383 648006781 /nfs/dbraw/zinc/00/67/81/648006781.db2.gz TYWZHARWOJDQSS-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(O)c1O ZINC000830468449 649449484 /nfs/dbraw/zinc/44/94/84/649449484.db2.gz NDKHSAXXDFQEJD-GZMMTYOYSA-N -1 0 319.279 2.328 20 10 DECDRM C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000831038027 649532204 /nfs/dbraw/zinc/53/22/04/649532204.db2.gz BNHQRDNZNSWCDB-KWCYVHTRSA-N -1 0 319.405 2.366 20 10 DECDRM O=C(Nc1cnc(CC2CC2)nc1)c1c(F)ccc(O)c1[O-] ZINC000831517814 649605219 /nfs/dbraw/zinc/60/52/19/649605219.db2.gz UUJQFFHCQKKBPI-UHFFFAOYSA-N -1 0 303.293 2.232 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)C1CCC1 ZINC000832713567 649737920 /nfs/dbraw/zinc/73/79/20/649737920.db2.gz OQPTVTTZSUPLET-LBPRGKRZSA-N -1 0 304.173 2.476 20 10 DECDRM C[C@@]1(O)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208670 651092298 /nfs/dbraw/zinc/09/22/98/651092298.db2.gz FRCYUKCJOXDWHX-DQOPKJQZSA-N -1 0 320.345 2.434 20 10 DECDRM CC[C@H](C(=O)[O-])N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000844929560 651184487 /nfs/dbraw/zinc/18/44/87/651184487.db2.gz LAPHIBUCZLLTRB-BPOWMSRESA-N -1 0 322.317 2.080 20 10 DECDRM COc1ccc(N(C)CCN(C)c2cccc(C(=O)[O-])n2)cc1 ZINC000844930561 651184518 /nfs/dbraw/zinc/18/45/18/651184518.db2.gz BZCCTYVFJACXMJ-UHFFFAOYSA-N -1 0 315.373 2.361 20 10 DECDRM CN(C)c1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)ccn1 ZINC000846279639 651320082 /nfs/dbraw/zinc/32/00/82/651320082.db2.gz IRGGFMKALOXCMM-UHFFFAOYSA-N -1 0 315.373 2.247 20 10 DECDRM C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000849366332 651660438 /nfs/dbraw/zinc/66/04/38/651660438.db2.gz RGRADXHZJFFNDO-DDTOSNHZSA-N -1 0 304.390 2.063 20 10 DECDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000109419337 651963186 /nfs/dbraw/zinc/96/31/86/651963186.db2.gz CCZFTWKRAUQLLM-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM CN(C)c1ccc(CNC(=O)C2CCC(C(=O)[O-])CC2)cc1F ZINC000851692955 652207250 /nfs/dbraw/zinc/20/72/50/652207250.db2.gz YBCIJYFMJXXIQH-UHFFFAOYSA-N -1 0 322.380 2.399 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1F ZINC000852946425 652482594 /nfs/dbraw/zinc/48/25/94/652482594.db2.gz SDIDYEIXOKAJKJ-CYBMUJFWSA-N -1 0 310.369 2.255 20 10 DECDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cs1 ZINC000120084137 684091818 /nfs/dbraw/zinc/09/18/18/684091818.db2.gz LTWZYJHLRBGTFD-UHFFFAOYSA-N -1 0 300.317 2.163 20 10 DECDRM N#Cc1cn(CC(=O)c2ccc(O)c(O)c2)c2ccccc2c1=O ZINC000193489051 685042035 /nfs/dbraw/zinc/04/20/35/685042035.db2.gz AZPQOFAHCCQMDU-UHFFFAOYSA-N -1 0 320.304 2.167 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1C ZINC000871954654 688901220 /nfs/dbraw/zinc/90/12/20/688901220.db2.gz BJIWNEXNWAMKIY-LURJTMIESA-N -1 0 300.236 2.006 20 10 DECDRM Cc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)ccc1C(=O)[O-] ZINC001211658645 778458967 /nfs/dbraw/zinc/45/89/67/778458967.db2.gz VTFYCQWNTWKWPQ-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM CCn1cc(CNCc2ccc(Br)cc2O)nn1 ZINC000691415927 784585713 /nfs/dbraw/zinc/58/57/13/784585713.db2.gz RNMDDHYRXGFEQE-UHFFFAOYSA-N -1 0 311.183 2.056 20 10 DECDRM NC(=O)c1c[nH]nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC001179681608 795160522 /nfs/dbraw/zinc/16/05/22/795160522.db2.gz PEAMIFYSWRPHBF-UHFFFAOYSA-N -1 0 301.133 2.133 20 10 DECDRM O=C([O-])C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC001119611656 795329491 /nfs/dbraw/zinc/32/94/91/795329491.db2.gz KURFWYASJQTJKO-CYBMUJFWSA-N -1 0 315.316 2.030 20 10 DECDRM O=C(NCCc1cc(O)c(O)cc1O)c1cccc([S-])c1 ZINC001186156745 796368936 /nfs/dbraw/zinc/36/89/36/796368936.db2.gz PACVLLMCBPGMOO-UHFFFAOYSA-N -1 0 305.355 2.065 20 10 DECDRM OC[C@H]1CCn2nccc2CN1Cc1ccc(Cl)cc1O ZINC001140464108 796525693 /nfs/dbraw/zinc/52/56/93/796525693.db2.gz BRWXNVGSXUWSJI-CQSZACIVSA-N -1 0 307.781 2.009 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccoc2)c1C(N)=O ZINC001188571182 796683222 /nfs/dbraw/zinc/68/32/22/796683222.db2.gz WNWXAMSURYUYSP-UHFFFAOYSA-N -1 0 314.388 2.112 20 10 DECDRM O=S(=O)([N-]c1nc(-c2ccncc2)cs1)c1ccncc1 ZINC001190846636 797091857 /nfs/dbraw/zinc/09/18/57/797091857.db2.gz QVTKDEWOUYKBHX-UHFFFAOYSA-N -1 0 318.383 2.401 20 10 DECDRM N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1cc(=O)[nH][n-]1 ZINC001193461298 797568289 /nfs/dbraw/zinc/56/82/89/797568289.db2.gz MGGSJNVKBIWFSI-QGTCEQILSA-N -1 0 323.316 2.082 20 10 DECDRM O=C(N[C@@H]1CCCc2nccnc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193634011 797597876 /nfs/dbraw/zinc/59/78/76/797597876.db2.gz ONZLONCEOHQJDX-LLVKDONJSA-N -1 0 319.748 2.349 20 10 DECDRM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(C(=O)[O-])cc1O ZINC001231453138 801669037 /nfs/dbraw/zinc/66/90/37/801669037.db2.gz CGDJDBPBDJLELU-JTQLQIEISA-N -1 0 309.362 2.252 20 10 DECDRM O=C(C1CCC1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078429 802022727 /nfs/dbraw/zinc/02/27/27/802022727.db2.gz VTJWIWPHFWKQSM-UHFFFAOYSA-N -1 0 310.344 2.115 20 10 DECDRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC001594728447 957025293 /nfs/dbraw/zinc/02/52/93/957025293.db2.gz YIIHCZVDCJTVBN-NEPJUHHUSA-N -1 0 303.339 2.497 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001603199898 972305568 /nfs/dbraw/zinc/30/55/68/972305568.db2.gz QBOJVROJVJFADK-SNVBAGLBSA-N -1 0 315.325 2.157 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001340494351 962099413 /nfs/dbraw/zinc/09/94/13/962099413.db2.gz PQMBMZNLDAWUDZ-KCJUWKMLSA-N -1 0 312.753 2.098 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCC(=O)[O-] ZINC001353015187 962648347 /nfs/dbraw/zinc/64/83/47/962648347.db2.gz FJVQSKOLXKXWKL-CYBMUJFWSA-N -1 0 321.421 2.156 20 10 DECDRM CC(C)c1ccc(O)c(CN[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC001588968914 962660913 /nfs/dbraw/zinc/66/09/13/962660913.db2.gz UPKLFNPAPVTIBX-HNNXBMFYSA-N -1 0 303.362 2.165 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001574691627 969870829 /nfs/dbraw/zinc/87/08/29/969870829.db2.gz WICOWWWMXJLPEK-LLVKDONJSA-N -1 0 314.341 2.110 20 10 DECDRM COc1cccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1O ZINC001604862955 974104691 /nfs/dbraw/zinc/10/46/91/974104691.db2.gz KBZJWLQYXRIDNB-UHFFFAOYSA-N -1 0 321.373 2.154 20 10 DECDRM C[C@H]1[C@@H](O)CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599935452 985386057 /nfs/dbraw/zinc/38/60/57/985386057.db2.gz HIXVYFVAURKHBD-NZLIJINCSA-N -1 0 306.318 2.042 20 10 DECDRM CN(C)c1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001598317633 991306599 /nfs/dbraw/zinc/30/65/99/991306599.db2.gz JRTBOQIUMLYYFT-NTMALXAHSA-N -1 0 314.341 2.373 20 10 DECDRM COc1ccc(N(C)C[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1OC ZINC001599584013 993588484 /nfs/dbraw/zinc/58/84/84/993588484.db2.gz LECBOPYDJOWFFV-CABZTGNLSA-N -1 0 301.289 2.106 20 10 DECDRM C[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593084586 993688743 /nfs/dbraw/zinc/68/87/43/993688743.db2.gz TTZHDJBDPMGCEX-SMDDNHRTSA-N -1 0 317.389 2.286 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001599597877 993772358 /nfs/dbraw/zinc/77/23/58/993772358.db2.gz AERFVTDUPVPEBI-IJLUTSLNSA-N -1 0 321.373 2.469 20 10 DECDRM C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593208324 994224235 /nfs/dbraw/zinc/22/42/35/994224235.db2.gz HOTXROAXKZLNLG-WRWORJQWSA-N -1 0 307.268 2.054 20 10 DECDRM COc1ccc2nc(CSc3ncc(C(=O)[O-])s3)[nH]c2n1 ZINC001599634622 994268936 /nfs/dbraw/zinc/26/89/36/994268936.db2.gz BXYFEJANVGSGAV-UHFFFAOYSA-N -1 0 322.371 2.414 20 10 DECDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])Cc1ccccc1O ZINC001603373379 1069959629 /nfs/dbraw/zinc/95/96/29/1069959629.db2.gz VACZKFBBWHZJMT-UHFFFAOYSA-N -1 0 309.362 2.011 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001604811724 1070501950 /nfs/dbraw/zinc/50/19/50/1070501950.db2.gz KBIKICTURAJZOT-VXVJOXDZSA-N -1 0 320.345 2.147 20 10 DECDRM COc1c([O-])c(C[NH2+]C(C)(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001607049835 1071284844 /nfs/dbraw/zinc/28/48/44/1071284844.db2.gz LLLHXQMHSMTTGF-UHFFFAOYSA-N -1 0 312.322 2.042 20 10 DECDRM COc1cc(C(=O)[O-])cc(NC(=O)C2=CC(=O)CS2)c1O ZINC001607103765 1071300293 /nfs/dbraw/zinc/30/02/93/1071300293.db2.gz LSZHYDQIZYGRSX-UHFFFAOYSA-N -1 0 309.299 2.118 20 10 DECDRM Nc1ccc(CCNC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001610649290 1078057396 /nfs/dbraw/zinc/05/73/96/1078057396.db2.gz SUXHCXGSGKUXEM-UHFFFAOYSA-N -1 0 319.386 2.070 20 10 DECDRM NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1O ZINC001634383064 1078426844 /nfs/dbraw/zinc/42/68/44/1078426844.db2.gz VRGUGHUSWYIAPL-UHFFFAOYSA-N -1 0 306.705 2.102 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)[C@H]1NCCc2occc21 ZINC001580718751 1075982182 /nfs/dbraw/zinc/98/21/82/1075982182.db2.gz OZGPKGVKIVSAOJ-ZDUSSCGKSA-N -1 0 306.749 2.142 20 10 DECDRM Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])c(C)c(C)c1O ZINC001600281510 1077176084 /nfs/dbraw/zinc/17/60/84/1077176084.db2.gz CGSGUHFSHXIPGM-UHFFFAOYSA-N -1 0 315.391 2.170 20 10 DECDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(O)c2O)c1 ZINC001600517523 1077214515 /nfs/dbraw/zinc/21/45/15/1077214515.db2.gz UPGNFNXOZOQLEL-ZDUSSCGKSA-N -1 0 315.325 2.352 20 10 DECDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)c1ccccc1O ZINC001600643599 1077240275 /nfs/dbraw/zinc/24/02/75/1077240275.db2.gz WGKAKLLHFVKNTQ-SNVBAGLBSA-N -1 0 303.314 2.412 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2Cc3cncnc3C2)c([N+](=O)[O-])c1 ZINC001601882639 1077469777 /nfs/dbraw/zinc/46/97/77/1077469777.db2.gz LRSCOTUYKQZPRF-DUXPYHPUSA-N -1 0 312.285 2.003 20 10 DECDRM O=C([O-])CCC1(NC(=O)c2cccc(O)c2O)CCCCC1 ZINC001601974396 1077486771 /nfs/dbraw/zinc/48/67/71/1077486771.db2.gz ICXRENNFZKRJIO-UHFFFAOYSA-N -1 0 307.346 2.395 20 10 DECDRM O=C([O-])c1cc(C(=O)NCc2c(O)ccc3ccccc32)on1 ZINC001602247551 1077533564 /nfs/dbraw/zinc/53/35/64/1077533564.db2.gz PEYNDTRTZPEPAA-UHFFFAOYSA-N -1 0 312.281 2.162 20 10 DECDRM Nc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC001608273093 1077619724 /nfs/dbraw/zinc/61/97/24/1077619724.db2.gz QOFHYUSNTNOBKP-PMPSAXMXSA-N -1 0 316.401 2.303 20 10 DECDRM COc1ccc(N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)c(OC)c1 ZINC001610339200 1078005491 /nfs/dbraw/zinc/00/54/91/1078005491.db2.gz RCCROKBILDJMQZ-GFCCVEGCSA-N -1 0 307.346 2.288 20 10 DECDRM Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1O ZINC001610474514 1078026558 /nfs/dbraw/zinc/02/65/58/1078026558.db2.gz LEEUVXVSXVEUQK-UHFFFAOYSA-N -1 0 321.354 2.129 20 10 DECDRM [O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H]1CO ZINC001235295798 1084377122 /nfs/dbraw/zinc/37/71/22/1084377122.db2.gz FUHDFYRFMTZWQO-SNVBAGLBSA-N -1 0 304.159 2.251 20 10 DECDRM Cc1c2cccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)c2nn1C ZINC001212566055 1086558822 /nfs/dbraw/zinc/55/88/22/1086558822.db2.gz AODFPLHRHPAPAT-UHFFFAOYSA-N -1 0 323.312 2.405 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1c(O)ccc(F)c1Cl ZINC001237124953 1138508973 /nfs/dbraw/zinc/50/89/73/1138508973.db2.gz TUSHKJJMZMMNFY-XVKPBYJWSA-N -1 0 305.708 2.270 20 10 DECDRM CC(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001237806272 1138795854 /nfs/dbraw/zinc/79/58/54/1138795854.db2.gz SPBDZKAFLDPQRS-VIFPVBQESA-N -1 0 300.761 2.237 20 10 DECDRM COC(=O)c1cnc(-c2cncc(C(=O)[O-])c2)c2ccn(C)c21 ZINC001241800186 1139854448 /nfs/dbraw/zinc/85/44/48/1139854448.db2.gz MVQDBZZVDDBTQX-UHFFFAOYSA-N -1 0 311.297 2.120 20 10 DECDRM Cc1cc(-c2nccn2C)c(-c2cc(C(=O)[O-])cnc2F)nn1 ZINC001244759577 1140445176 /nfs/dbraw/zinc/44/51/76/1140445176.db2.gz SAGRAIQNNLBEFZ-UHFFFAOYSA-N -1 0 313.292 2.085 20 10 DECDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001322272416 1141499582 /nfs/dbraw/zinc/49/95/82/1141499582.db2.gz AXYSSCGVPCHIAY-UHFFFAOYSA-N -1 0 300.317 2.163 20 10 DECDRM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cccc(Cl)c1[O-] ZINC000376821593 533549374 /nfs/dbraw/zinc/54/93/74/533549374.db2.gz FOJCRFNJDZWFJA-DGCLKSJQSA-N -1 0 313.781 2.198 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000364546867 404444220 /nfs/dbraw/zinc/44/42/20/404444220.db2.gz NXHDUGHFBZDGPN-UHFFFAOYSA-N -1 0 321.402 2.288 20 10 DECDRM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)CCS1(=O)=O ZINC000365445397 404662546 /nfs/dbraw/zinc/66/25/46/404662546.db2.gz VTTQIDHFNWCHQB-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM O=C(NC1CC1)[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191241116 225107617 /nfs/dbraw/zinc/10/76/17/225107617.db2.gz ZQIMGOUPEHHZHN-LBPRGKRZSA-N -1 0 312.772 2.428 20 10 DECDRM COCc1nc(CNCc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000266186565 523200237 /nfs/dbraw/zinc/20/02/37/523200237.db2.gz HMQHWYZVUHHFCB-UHFFFAOYSA-N -1 0 309.347 2.193 20 10 DECDRM O=C([O-])[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000821511113 598130422 /nfs/dbraw/zinc/13/04/22/598130422.db2.gz CKPHNUNOKAJLCB-VIFPVBQESA-N -1 0 300.152 2.061 20 10 DECDRM O=C([O-])c1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000821369296 598220788 /nfs/dbraw/zinc/22/07/88/598220788.db2.gz PEGFPLUQJKKPEV-ALCCZGGFSA-N -1 0 313.309 2.126 20 10 DECDRM O=C([O-])c1cccc(OCCOC(=O)C2=CC(=O)CS2)c1 ZINC000740232011 600368774 /nfs/dbraw/zinc/36/87/74/600368774.db2.gz NKEFYVNWBXUCQW-UHFFFAOYSA-N -1 0 308.311 2.388 20 10 DECDRM CN(Cc1ccon1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737495438 600560298 /nfs/dbraw/zinc/56/02/98/600560298.db2.gz MCDCRHWZSCYNQV-HWKANZROSA-N -1 0 303.274 2.317 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830860595 602373672 /nfs/dbraw/zinc/37/36/72/602373672.db2.gz SWVJRNNYGVBMHA-UHFFFAOYSA-N -1 0 303.318 2.093 20 10 DECDRM C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)C1CC1 ZINC000823687602 603682042 /nfs/dbraw/zinc/68/20/42/603682042.db2.gz XXILGMQICVYMEK-ABAIWWIYSA-N -1 0 319.405 2.224 20 10 DECDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000832516678 603863050 /nfs/dbraw/zinc/86/30/50/603863050.db2.gz YAJBNGDBIWDPIS-DGCLKSJQSA-N -1 0 321.377 2.018 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C2(NC(=O)[O-])CC2)cc1F ZINC000827052078 604469029 /nfs/dbraw/zinc/46/90/29/604469029.db2.gz MLCAHVNKYMQQLQ-UHFFFAOYSA-N -1 0 323.368 2.088 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1O ZINC000832553707 604995497 /nfs/dbraw/zinc/99/54/97/604995497.db2.gz GTQUBDLZKINVDF-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM O=C([O-])N[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000832753043 605828866 /nfs/dbraw/zinc/82/88/66/605828866.db2.gz YPQRAIAXTJMXKU-CQSZACIVSA-N -1 0 300.314 2.017 20 10 DECDRM COC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000784668006 625829346 /nfs/dbraw/zinc/82/93/46/625829346.db2.gz NNPVSQIVYHQEBV-CABZTGNLSA-N -1 0 303.761 2.420 20 10 DECDRM C[C@@H](CS(C)(=O)=O)N(Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000894028216 636095996 /nfs/dbraw/zinc/09/59/96/636095996.db2.gz YBALPMZQYIXPGH-VIFPVBQESA-N -1 0 319.373 2.068 20 10 DECDRM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(F)c3[O-])[C@H]2C1 ZINC000894096760 636113075 /nfs/dbraw/zinc/11/30/75/636113075.db2.gz ZOQYGRIGEWIXQF-VHDGCEQUSA-N -1 0 313.344 2.439 20 10 DECDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc12 ZINC000740700754 637894403 /nfs/dbraw/zinc/89/44/03/637894403.db2.gz GAZFFGMOWNGSBP-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM O=C([O-])CCCCNC(=O)NCCCSc1nccs1 ZINC000840987845 650401485 /nfs/dbraw/zinc/40/14/85/650401485.db2.gz UJPQXJZVABFMJG-UHFFFAOYSA-N -1 0 317.436 2.179 20 10 DECDRM CC[C@](C)(NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929045899 640520047 /nfs/dbraw/zinc/52/00/47/640520047.db2.gz STJMOHCDUHCVHI-ZBEGNZNMSA-N -1 0 307.394 2.366 20 10 DECDRM Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cn1 ZINC000764889482 640710303 /nfs/dbraw/zinc/71/03/03/640710303.db2.gz YUUNLCDNTUBKCL-YRNVUSSQSA-N -1 0 322.411 2.456 20 10 DECDRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000780837674 642678342 /nfs/dbraw/zinc/67/83/42/642678342.db2.gz LVKDAXWOWFBEMS-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM CCn1nccc1S(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000792702156 644141120 /nfs/dbraw/zinc/14/11/20/644141120.db2.gz NXXCLFQWRQDECX-UHFFFAOYSA-N -1 0 313.404 2.131 20 10 DECDRM C[C@@H]1CCCN(c2ccc(CN=c3nn[n-]n3C)cc2Cl)C1 ZINC000799964103 645237769 /nfs/dbraw/zinc/23/77/69/645237769.db2.gz RSCYHTTXQWPLKJ-LLVKDONJSA-N -1 0 320.828 2.134 20 10 DECDRM Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)oc1C(=O)[O-] ZINC000911121230 645636855 /nfs/dbraw/zinc/63/68/55/645636855.db2.gz RZXBRDXGQBSSGU-UHFFFAOYSA-N -1 0 302.330 2.282 20 10 DECDRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000911221855 645655130 /nfs/dbraw/zinc/65/51/30/645655130.db2.gz ZGFQRUULBXLZAL-ZDUSSCGKSA-N -1 0 304.390 2.404 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000911351818 645682298 /nfs/dbraw/zinc/68/22/98/645682298.db2.gz GYCOFFIZKMTVSW-GFCCVEGCSA-N -1 0 310.369 2.399 20 10 DECDRM CC1(C)CO[C@H](CC(=O)N(CC(=O)[O-])Cc2ccccc2O)C1 ZINC000911487090 645721109 /nfs/dbraw/zinc/72/11/09/645721109.db2.gz BBXXSRAIJPSLOF-CYBMUJFWSA-N -1 0 321.373 2.011 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c(C)[nH]1 ZINC000911486489 645721131 /nfs/dbraw/zinc/72/11/31/645721131.db2.gz OHMHFAXMUCVVES-UHFFFAOYSA-N -1 0 302.330 2.064 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc3cccnc3c2O)CCCC1 ZINC000911699143 645788266 /nfs/dbraw/zinc/78/82/66/645788266.db2.gz FQEMZGSJBLHXOQ-UHFFFAOYSA-N -1 0 314.341 2.202 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc[n+]([O-])cc1 ZINC000807833961 645994786 /nfs/dbraw/zinc/99/47/86/645994786.db2.gz HXOWRZIXZHDHKM-UHFFFAOYSA-N -1 0 313.140 2.262 20 10 DECDRM C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])n1cncn1 ZINC000807839998 645996103 /nfs/dbraw/zinc/99/61/03/645996103.db2.gz PAJRMIOQJJGRKA-ZETCQYMHSA-N -1 0 315.160 2.168 20 10 DECDRM Cc1sc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000163914310 646408150 /nfs/dbraw/zinc/40/81/50/646408150.db2.gz APDNLMAMTCSDCC-UHFFFAOYSA-N -1 0 314.344 2.471 20 10 DECDRM O=C(CC1OCCO1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684306 646799326 /nfs/dbraw/zinc/79/93/26/646799326.db2.gz HDOVHFMTVVIVNJ-UHFFFAOYSA-N -1 0 306.145 2.078 20 10 DECDRM CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(O)cc1F ZINC000817356134 647274031 /nfs/dbraw/zinc/27/40/31/647274031.db2.gz FZNKGFUOMLULSR-LLVKDONJSA-N -1 0 305.371 2.334 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000324233606 647311583 /nfs/dbraw/zinc/31/15/83/647311583.db2.gz FLLROCRXNUDFLG-UWVGGRQHSA-N -1 0 324.333 2.159 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000033500556 648065614 /nfs/dbraw/zinc/06/56/14/648065614.db2.gz HFWXPBAJFKPEKY-UBTSRBCMSA-N -1 0 306.318 2.306 20 10 DECDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000155010416 648161120 /nfs/dbraw/zinc/16/11/20/648161120.db2.gz LHPHLSSYNOEVHP-UHFFFAOYSA-N -1 0 307.306 2.471 20 10 DECDRM COC[C@]1(C(=O)OC)CCCN1Cc1cccc(Cl)c1[O-] ZINC000827487921 649041928 /nfs/dbraw/zinc/04/19/28/649041928.db2.gz AFXZWOJWRMHAIE-HNNXBMFYSA-N -1 0 313.781 2.200 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000844210435 651092925 /nfs/dbraw/zinc/09/29/25/651092925.db2.gz XBLDYAZWASFVQL-RYWCDNDXSA-N -1 0 320.345 2.291 20 10 DECDRM CC1(CO)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844211866 651093803 /nfs/dbraw/zinc/09/38/03/651093803.db2.gz JGNJMMHJUJRNOJ-HYXAFXHYSA-N -1 0 320.345 2.291 20 10 DECDRM CN(C[C@@H]1CCC[C@@H]1O)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213975 651094437 /nfs/dbraw/zinc/09/44/37/651094437.db2.gz BWMDDBQIURPUGL-XIACAKRESA-N -1 0 320.345 2.290 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCc3n[nH]cc3C2)c1[O-] ZINC000857876948 652194050 /nfs/dbraw/zinc/19/40/50/652194050.db2.gz JFOQJDKFHJZBNK-UHFFFAOYSA-N -1 0 308.725 2.235 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000851705467 652208806 /nfs/dbraw/zinc/20/88/06/652208806.db2.gz MEBMLHVHCKKMPF-UZMLQMNBSA-N -1 0 318.329 2.165 20 10 DECDRM CCOC(=O)c1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C ZINC000871949865 688900436 /nfs/dbraw/zinc/90/04/36/688900436.db2.gz OVVKYAAQPZVYRU-MRVPVSSYSA-N -1 0 312.272 2.190 20 10 DECDRM CCCN(CCC)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872885492 689112597 /nfs/dbraw/zinc/11/25/97/689112597.db2.gz LNZPZOXRAAFOND-UHFFFAOYSA-N -1 0 322.405 2.235 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877499758 690132786 /nfs/dbraw/zinc/13/27/86/690132786.db2.gz KUENYNLFPORNAZ-NSHDSACASA-N -1 0 319.373 2.070 20 10 DECDRM Cc1ccc(CO)cc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878862 791645727 /nfs/dbraw/zinc/64/57/27/791645727.db2.gz WBNBYPAULIZLQR-UHFFFAOYSA-N -1 0 323.352 2.219 20 10 DECDRM O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001119550388 795321805 /nfs/dbraw/zinc/32/18/05/795321805.db2.gz SXOSRHXQHHOUCR-KCJUWKMLSA-N -1 0 317.744 2.297 20 10 DECDRM COC[C@@H]1CN(Cc2c([O-])cc(F)cc2F)Cc2cn(C)nc21 ZINC001140581221 796541183 /nfs/dbraw/zinc/54/11/83/796541183.db2.gz NGKYPXUBGYBULU-NSHDSACASA-N -1 0 323.343 2.150 20 10 DECDRM O=C(NCc1ccc2c(c1)OCO2)c1cc(O)c([O-])c(Cl)c1 ZINC001193590347 797589567 /nfs/dbraw/zinc/58/95/67/797589567.db2.gz ZAICPXINKNYTRU-UHFFFAOYSA-N -1 0 321.716 2.410 20 10 DECDRM O=C(Nc1cn[nH]c(=O)c1Cl)c1cc(O)c([O-])c(Cl)c1 ZINC001193605326 797602000 /nfs/dbraw/zinc/60/20/00/797602000.db2.gz DTOXXRABLKEOEI-UHFFFAOYSA-N -1 0 316.100 2.153 20 10 DECDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001198650987 798374456 /nfs/dbraw/zinc/37/44/56/798374456.db2.gz JMBBELARNLGEMW-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1O ZINC001198797187 798399880 /nfs/dbraw/zinc/39/98/80/798399880.db2.gz DXLFLCARMSCOGT-JTQLQIEISA-N -1 0 321.354 2.130 20 10 DECDRM CCOC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452660 801669059 /nfs/dbraw/zinc/66/90/59/801669059.db2.gz QVGLWYJMHIPQTN-CYBMUJFWSA-N -1 0 307.346 2.008 20 10 DECDRM O=c1oc2cc([O-])c(O)cc2cc1-c1nc(-c2ccncc2)no1 ZINC001217554500 802085386 /nfs/dbraw/zinc/08/53/86/802085386.db2.gz YZFHIMQWBSHKGG-UHFFFAOYSA-N -1 0 323.264 2.316 20 10 DECDRM O=C([O-])CCCc1csc(NC(=O)c2cccc(O)c2O)n1 ZINC000388487986 972172666 /nfs/dbraw/zinc/17/26/66/972172666.db2.gz CVBXIYCXDCKIKG-UHFFFAOYSA-N -1 0 322.342 2.214 20 10 DECDRM CC[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001263062481 957283736 /nfs/dbraw/zinc/28/37/36/957283736.db2.gz VHTDSOYXTUESOD-AWEZNQCLSA-N -1 0 319.405 2.197 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001574375168 961088467 /nfs/dbraw/zinc/08/84/67/961088467.db2.gz KVRBSEDFZJKAQQ-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM O=C([O-])CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000034327811 967503541 /nfs/dbraw/zinc/50/35/41/967503541.db2.gz MITCQQXHBPIUEB-UHFFFAOYSA-N -1 0 323.304 2.265 20 10 DECDRM O=C([O-])[C@@H](Cc1ccncc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001605904453 972752145 /nfs/dbraw/zinc/75/21/45/972752145.db2.gz XDESKTYNYDALRM-GFCCVEGCSA-N -1 0 324.739 2.365 20 10 DECDRM O=C([O-])[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715763039 977781668 /nfs/dbraw/zinc/78/16/68/977781668.db2.gz NQLZGUMLKDQCMT-ZETCQYMHSA-N -1 0 318.142 2.200 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592883356 979759571 /nfs/dbraw/zinc/75/95/71/979759571.db2.gz QRIDSXNAKNIBDL-DRZSPHRISA-N -1 0 321.373 2.036 20 10 DECDRM CC[C@](NC(=O)c1cccc(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595270191 980285256 /nfs/dbraw/zinc/28/52/56/980285256.db2.gz BJQXDMSCECSBMS-QGZVFWFLSA-N -1 0 315.325 2.218 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001596288776 983708778 /nfs/dbraw/zinc/70/87/78/983708778.db2.gz ZXWXHQLCMULXNT-LSDHHAIUSA-N -1 0 304.390 2.260 20 10 DECDRM CS/C=C\C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599791614 988019691 /nfs/dbraw/zinc/01/96/91/988019691.db2.gz YURQFEXCYQHFCE-PLNGDYQASA-N -1 0 315.778 2.336 20 10 DECDRM CN(Cc1c[nH]cn1)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598504944 992490672 /nfs/dbraw/zinc/49/06/72/992490672.db2.gz CFGJPWSGOXDZMQ-HYXAFXHYSA-N -1 0 302.290 2.052 20 10 DECDRM C[C@@H](NCc1nn(C)cc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593315981 994806859 /nfs/dbraw/zinc/80/68/59/994806859.db2.gz DETSXKOALYGHPA-MRVPVSSYSA-N -1 0 309.753 2.328 20 10 DECDRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC001602401845 1069627254 /nfs/dbraw/zinc/62/72/54/1069627254.db2.gz FIFIPBHVWSEHET-UHFFFAOYSA-N -1 0 317.319 2.092 20 10 DECDRM CC(C)CN1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](C)C1=O ZINC001474465846 1060876235 /nfs/dbraw/zinc/87/62/35/1060876235.db2.gz YOYOHQWIMDBVGW-LLVKDONJSA-N -1 0 312.360 2.359 20 10 DECDRM CN1Cc2c(cccc2NC(=O)c2c(F)ccc(O)c2[O-])C1=O ZINC001611439741 1078101551 /nfs/dbraw/zinc/10/15/51/1078101551.db2.gz OREDRDWTQNTVSN-UHFFFAOYSA-N -1 0 316.288 2.075 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)c1cccc2ncnn21 ZINC001640404582 1078658758 /nfs/dbraw/zinc/65/87/58/1078658758.db2.gz DAFMEVLVTUJEMY-UHFFFAOYSA-N -1 0 302.721 2.018 20 10 DECDRM CO[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1F ZINC001235295736 1079011246 /nfs/dbraw/zinc/01/12/46/1079011246.db2.gz FLXOOFWIMRMZIN-WDEREUQCSA-N -1 0 322.149 2.463 20 10 DECDRM CCN(C(=O)c1cccc(O)c1O)[C@@H](CO)c1ccccc1 ZINC001558099742 1075082397 /nfs/dbraw/zinc/08/23/97/1075082397.db2.gz WIZKKIVPLOVXNJ-AWEZNQCLSA-N -1 0 301.342 2.294 20 10 DECDRM Cc1cc(-c2nn[nH]n2)nc(Sc2ncc(Cl)s2)n1 ZINC001591903891 1076805659 /nfs/dbraw/zinc/80/56/59/1076805659.db2.gz QICZXTKEWSZKJG-UHFFFAOYSA-N -1 0 311.783 2.226 20 10 DECDRM Cc1ccc(/C=C\C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001600397707 1077193719 /nfs/dbraw/zinc/19/37/19/1077193719.db2.gz JUOAXFWJWYZLQG-QWGSZXSUSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])[C@H](CNC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001601451065 1077396843 /nfs/dbraw/zinc/39/68/43/1077396843.db2.gz BPYLRBIDUCZOFC-CYBMUJFWSA-N -1 0 321.373 2.499 20 10 DECDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601643281 1077424716 /nfs/dbraw/zinc/42/47/16/1077424716.db2.gz VEZZOCVYAGBLHT-NOZJJQNGSA-N -1 0 315.316 2.030 20 10 DECDRM Cc1cccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2)c1O ZINC001607852398 1077546312 /nfs/dbraw/zinc/54/63/12/1077546312.db2.gz JDJVIJKMDXTRNX-UHFFFAOYSA-N -1 0 314.341 2.127 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001608868058 1077709582 /nfs/dbraw/zinc/70/95/82/1077709582.db2.gz WNYPXIRLUYFCBQ-JTQLQIEISA-N -1 0 323.299 2.190 20 10 DECDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c(O)c1 ZINC001610333068 1078005064 /nfs/dbraw/zinc/00/50/64/1078005064.db2.gz DLGUVZGKMBLNCP-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM CC(C)Oc1c[nH]ccc1=NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654849603 1079978482 /nfs/dbraw/zinc/97/84/82/1079978482.db2.gz YDBOAPUORTYPNU-UHFFFAOYSA-N -1 0 306.293 2.093 20 10 DECDRM COc1ccc(CN2CCCC3(C2)OCCO3)c([O-])c1Cl ZINC001236807062 1079983843 /nfs/dbraw/zinc/98/38/43/1079983843.db2.gz MGFVCJDPRJPJNX-UHFFFAOYSA-N -1 0 313.781 2.393 20 10 DECDRM Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001237602479 1138708849 /nfs/dbraw/zinc/70/88/49/1138708849.db2.gz ADVVIENPQQERDB-UHFFFAOYSA-N -1 0 324.749 2.259 20 10 DECDRM O=C1CN(Cc2cc(F)cc(Cl)c2[O-])CC2(CCCC2)N1 ZINC001237801276 1138792273 /nfs/dbraw/zinc/79/22/73/1138792273.db2.gz GVLDBNHISCZJAF-UHFFFAOYSA-N -1 0 312.772 2.429 20 10 DECDRM O=C([O-])Cn1c(/C=C/c2cncs2)nc2ccccc2c1=O ZINC000676028712 541405535 /nfs/dbraw/zinc/40/55/35/541405535.db2.gz PQBNTWXQADDMJS-AATRIKPKSA-N -1 0 313.338 2.108 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1c([O-])cc(Br)cc1F ZINC001233031371 802007465 /nfs/dbraw/zinc/00/74/65/802007465.db2.gz CIOCCYXDVZUWHE-SSDOTTSWSA-N -1 0 320.158 2.287 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000273550467 130135109 /nfs/dbraw/zinc/13/51/09/130135109.db2.gz FVWAOJHCXNRLQM-GHMZBOCLSA-N -1 0 303.362 2.324 20 10 DECDRM O=S1(=O)CC[C@H](N(Cc2cccc(Cl)c2[O-])C2CC2)C1 ZINC000179710802 402598753 /nfs/dbraw/zinc/59/87/53/402598753.db2.gz XFUJDSNAIBXQFA-LBPRGKRZSA-N -1 0 315.822 2.197 20 10 DECDRM C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CO ZINC000191176644 402647863 /nfs/dbraw/zinc/64/78/63/402647863.db2.gz KTLHGPSEWRZUAF-QPUJVOFHSA-N -1 0 300.742 2.157 20 10 DECDRM COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C(C)C ZINC000293029607 403387291 /nfs/dbraw/zinc/38/72/91/403387291.db2.gz WADHUOXMVJFWNL-CQSZACIVSA-N -1 0 315.797 2.038 20 10 DECDRM COc1cncc(/C=C/C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000493816335 405572028 /nfs/dbraw/zinc/57/20/28/405572028.db2.gz QMWXBTYOMFXNOZ-LFAOLKIESA-N -1 0 324.336 2.318 20 10 DECDRM C[C@H]1CC(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000377827060 290324923 /nfs/dbraw/zinc/32/49/23/290324923.db2.gz SKYWUNIWYWUDFX-QMMMGPOBSA-N -1 0 303.189 2.409 20 10 DECDRM CC(C)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C(=O)[O-] ZINC000043431573 598193045 /nfs/dbraw/zinc/19/30/45/598193045.db2.gz SSTBTHKKROABFV-JTQLQIEISA-N -1 0 302.168 2.354 20 10 DECDRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000821539293 598220401 /nfs/dbraw/zinc/22/04/01/598220401.db2.gz FIIPYIZQFPWFAA-VURMDHGXSA-N -1 0 313.309 2.377 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NCCCCC(=O)[O-] ZINC000738402650 600644028 /nfs/dbraw/zinc/64/40/28/600644028.db2.gz ZKBCCQIBXBLUCT-UHFFFAOYSA-N -1 0 307.394 2.115 20 10 DECDRM CC[C@@H](C)[C@H](NC(=O)CN(CC)c1ccc(OC)cc1)C(=O)[O-] ZINC000828710112 600991470 /nfs/dbraw/zinc/99/14/70/600991470.db2.gz WBRUWXYFEQSKDP-WBMJQRKESA-N -1 0 322.405 2.137 20 10 DECDRM O=C([O-])CCN(C(=O)/C=C\c1cnccn1)c1cccc(F)c1 ZINC000739713511 601026965 /nfs/dbraw/zinc/02/69/65/601026965.db2.gz YBMVNADKACZYLV-PLNGDYQASA-N -1 0 315.304 2.137 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C(=O)[O-])o1 ZINC000830643190 601045906 /nfs/dbraw/zinc/04/59/06/601045906.db2.gz FJHXDOHXTDLDKS-UHFFFAOYSA-N -1 0 302.330 2.443 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000833194951 601681298 /nfs/dbraw/zinc/68/12/98/601681298.db2.gz AXCGGXVDRULVFY-OUMXJLHTSA-N -1 0 318.329 2.309 20 10 DECDRM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000827295656 602128165 /nfs/dbraw/zinc/12/81/65/602128165.db2.gz NGRPCIKNYYZNSZ-CYBMUJFWSA-N -1 0 304.390 2.404 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830073159 602947716 /nfs/dbraw/zinc/94/77/16/602947716.db2.gz OBIDRZAPSBKWBB-OAHLLOKOSA-N -1 0 319.405 2.210 20 10 DECDRM CC1CC(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)C1 ZINC000825783614 603921083 /nfs/dbraw/zinc/92/10/83/603921083.db2.gz KYQLLVIBKRSLFP-ABIUDSBCSA-N -1 0 319.405 2.224 20 10 DECDRM Cc1cc(C(=O)OC[C@H](C)NC(=O)[O-])c(C)n1-c1ccccn1 ZINC000829976692 604199987 /nfs/dbraw/zinc/19/99/87/604199987.db2.gz PHJQHLVRQURWFA-JTQLQIEISA-N -1 0 317.345 2.302 20 10 DECDRM Cc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1NC(=O)[O-] ZINC000833898864 605547413 /nfs/dbraw/zinc/54/74/13/605547413.db2.gz SSBLHJPAWMVBHO-UHFFFAOYSA-N -1 0 316.313 2.426 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cc1 ZINC000828355840 605589352 /nfs/dbraw/zinc/58/93/52/605589352.db2.gz RIODWQHUJLJNIL-CQSZACIVSA-N -1 0 321.421 2.393 20 10 DECDRM O=C([O-])N[C@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000834126130 605624249 /nfs/dbraw/zinc/62/42/49/605624249.db2.gz HXRAYBOQUMGJAJ-CQSZACIVSA-N -1 0 314.341 2.407 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)CCCCNC(=O)[O-])cc1 ZINC000833874772 605886546 /nfs/dbraw/zinc/88/65/46/605886546.db2.gz YSYJXFKTDDNZIJ-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM CCOc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000162146247 625200997 /nfs/dbraw/zinc/20/09/97/625200997.db2.gz BCSPDNOFWAYWRT-UHFFFAOYSA-N -1 0 319.342 2.422 20 10 DECDRM [O-]c1c(F)cc(F)cc1CNC1(c2ncccn2)CCOCC1 ZINC000923011397 636911232 /nfs/dbraw/zinc/91/12/32/636911232.db2.gz RGNLUIQLWLWDFM-UHFFFAOYSA-N -1 0 321.327 2.256 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CCO[C@@H](CF)C1 ZINC000894987443 637361831 /nfs/dbraw/zinc/36/18/31/637361831.db2.gz RBHCLNZNANJVHR-JTQLQIEISA-N -1 0 322.149 2.464 20 10 DECDRM COCc1ncc2c(n1)CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC000895417051 638012743 /nfs/dbraw/zinc/01/27/43/638012743.db2.gz MWQCCYQPKDSMRL-UHFFFAOYSA-N -1 0 321.327 2.165 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(F)cc(F)c1 ZINC000755589904 639565674 /nfs/dbraw/zinc/56/56/74/639565674.db2.gz GJXCWUNIZUBCEC-ZSOIEALJSA-N -1 0 300.264 2.426 20 10 DECDRM CCOCCONC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805307744 640794273 /nfs/dbraw/zinc/79/42/73/640794273.db2.gz ZHWTYTPTFCTLPW-UHFFFAOYSA-N -1 0 323.176 2.466 20 10 DECDRM CC[C@@H]1C(=O)NCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000898545501 641700272 /nfs/dbraw/zinc/70/02/72/641700272.db2.gz KYNBBWVTDAJXSV-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM CCn1cnc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775294189 642025335 /nfs/dbraw/zinc/02/53/35/642025335.db2.gz JXXZGZJZJMGGQB-UHFFFAOYSA-N -1 0 309.391 2.335 20 10 DECDRM O=C([O-])c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cn1 ZINC000899342353 642039145 /nfs/dbraw/zinc/03/91/45/642039145.db2.gz UPOFDKRKARYKMW-XYOKQWHBSA-N -1 0 317.370 2.236 20 10 DECDRM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775651264 642072957 /nfs/dbraw/zinc/07/29/57/642072957.db2.gz LGJQDSOILHHFOB-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776751941 642203864 /nfs/dbraw/zinc/20/38/64/642203864.db2.gz ZYNSAYIUCIPSRS-UHFFFAOYSA-N -1 0 322.173 2.233 20 10 DECDRM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000780838521 642678138 /nfs/dbraw/zinc/67/81/38/642678138.db2.gz YWSPQFQKPYLQIA-UHFFFAOYSA-N -1 0 317.319 2.092 20 10 DECDRM Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1C1CCC1 ZINC000781607252 642769467 /nfs/dbraw/zinc/76/94/67/642769467.db2.gz SMIKQFWYBYUWNM-UHFFFAOYSA-N -1 0 319.386 2.469 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccnn1CC1CCC1 ZINC000901895570 642814963 /nfs/dbraw/zinc/81/49/63/642814963.db2.gz QGDCILCWNISHEL-UHFFFAOYSA-N -1 0 321.402 2.498 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000790416144 643849939 /nfs/dbraw/zinc/84/99/39/643849939.db2.gz SVGMHEXZVQMFKO-UHFFFAOYSA-N -1 0 321.402 2.362 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c(C)o1 ZINC000911484826 645720134 /nfs/dbraw/zinc/72/01/34/645720134.db2.gz SDHBQAOFELQHRD-UHFFFAOYSA-N -1 0 303.314 2.329 20 10 DECDRM CC(C)C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818623918 647490944 /nfs/dbraw/zinc/49/09/44/647490944.db2.gz WAVPKOGYVCEIDG-AWEZNQCLSA-N -1 0 321.421 2.299 20 10 DECDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)C1=CC(=O)CS1 ZINC000732284313 647557859 /nfs/dbraw/zinc/55/78/59/647557859.db2.gz OUZMQQVUAJZAIJ-UHFFFAOYSA-N -1 0 303.299 2.049 20 10 DECDRM O=C1N=C(N2CCOCC2)S/C1=C\c1ccc([O-])c(Cl)c1 ZINC000921265987 648284616 /nfs/dbraw/zinc/28/46/16/648284616.db2.gz UODCMLOJDACXRM-WQLSENKSSA-N -1 0 324.789 2.348 20 10 DECDRM [O-]c1c(Br)cccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000824603728 648621726 /nfs/dbraw/zinc/62/17/26/648621726.db2.gz ZJTBJZNSKVMPPX-UHFFFAOYSA-N -1 0 323.194 2.440 20 10 DECDRM Cc1nnc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000827039546 648962860 /nfs/dbraw/zinc/96/28/60/648962860.db2.gz YNYTVFRIVHTGKW-UHFFFAOYSA-N -1 0 312.713 2.277 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000844210444 651092922 /nfs/dbraw/zinc/09/29/22/651092922.db2.gz XQSPASRSJRJIQK-DIECRNLCSA-N -1 0 320.345 2.291 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC000846702005 651347203 /nfs/dbraw/zinc/34/72/03/651347203.db2.gz KTXJLZKXEUGVKS-APPDUMDISA-N -1 0 319.357 2.389 20 10 DECDRM CCOCc1cc(CNCc2nocc2C(=O)[O-])ccc1OC ZINC000846778676 651351212 /nfs/dbraw/zinc/35/12/12/651351212.db2.gz JBXJBJVOPWNHMR-UHFFFAOYSA-N -1 0 320.345 2.208 20 10 DECDRM CN(C)c1ccc(CNC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000849365234 651660721 /nfs/dbraw/zinc/66/07/21/651660721.db2.gz ZKLVPGDCDWOJCY-UHFFFAOYSA-N -1 0 304.390 2.260 20 10 DECDRM Cc1nnc(NNC(=S)Nc2ccc(C(C)C)cc2)[n-]c1=O ZINC000011045985 683841821 /nfs/dbraw/zinc/84/18/21/683841821.db2.gz LYZKCKSXNDUJRH-UHFFFAOYSA-N -1 0 318.406 2.323 20 10 DECDRM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000013463982 683846463 /nfs/dbraw/zinc/84/64/63/683846463.db2.gz CGJZAOYFSZWQMH-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000132716086 684212365 /nfs/dbraw/zinc/21/23/65/684212365.db2.gz JJMHJIDZSUJWPR-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM O=S(=O)([N-]Cc1ccccc1O)c1c(F)cc(F)cc1F ZINC000158583843 684301661 /nfs/dbraw/zinc/30/16/61/684301661.db2.gz GYNIVYUHBHBRNH-UHFFFAOYSA-N -1 0 317.288 2.288 20 10 DECDRM Cc1cc(CNC(=O)N(C)CC(=O)[O-])c(C)n1-c1ccccc1 ZINC000864536934 686748850 /nfs/dbraw/zinc/74/88/50/686748850.db2.gz VAERDAUNRVTLCK-UHFFFAOYSA-N -1 0 315.373 2.320 20 10 DECDRM CC[C@@H](C)[C@H](C)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872909334 689117365 /nfs/dbraw/zinc/11/73/65/689117365.db2.gz KEWRRQLNBIOQHA-OLZOCXBDSA-N -1 0 322.405 2.137 20 10 DECDRM COc1ccc(N(C)Cc2cc(C(=O)[O-])nn2C)cc1Cl ZINC000874041228 689344572 /nfs/dbraw/zinc/34/45/72/689344572.db2.gz PBOATOARNRJHCW-UHFFFAOYSA-N -1 0 309.753 2.417 20 10 DECDRM CC1(C)CCN(Cc2ccc(F)c(F)c2[O-])CCS1(=O)=O ZINC000877481516 690125889 /nfs/dbraw/zinc/12/58/89/690125889.db2.gz JNCALOJDVDBKMA-UHFFFAOYSA-N -1 0 319.373 2.070 20 10 DECDRM O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cc(F)c(F)cc21 ZINC000877860186 690249497 /nfs/dbraw/zinc/24/94/97/690249497.db2.gz WXZMZOIRXMGMKI-CYBMUJFWSA-N -1 0 321.239 2.433 20 10 DECDRM CCOC(=O)CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000893925856 692970969 /nfs/dbraw/zinc/97/09/69/692970969.db2.gz SEPCWHYTGZSZQH-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM COc1ccccc1CN(OC)C(=O)c1c(F)ccc(O)c1[O-] ZINC001161442534 778087816 /nfs/dbraw/zinc/08/78/16/778087816.db2.gz MFXUBXLEYIBVGV-UHFFFAOYSA-N -1 0 321.304 2.449 20 10 DECDRM O=C1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@H]1F ZINC001144306610 790854959 /nfs/dbraw/zinc/85/49/59/790854959.db2.gz IXMRHOMOMAFKIX-SNVBAGLBSA-N -1 0 320.133 2.407 20 10 DECDRM COc1cncc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c1C ZINC001147878546 791645763 /nfs/dbraw/zinc/64/57/63/791645763.db2.gz IKXWVISTZYMJST-UHFFFAOYSA-N -1 0 324.340 2.130 20 10 DECDRM CC(C)c1nnc2n1CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683125 794840370 /nfs/dbraw/zinc/84/03/70/794840370.db2.gz HUCBWBKAWKLOBE-UHFFFAOYSA-N -1 0 308.332 2.401 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(OC(C)C)C1 ZINC001139134254 796332158 /nfs/dbraw/zinc/33/21/58/796332158.db2.gz YXSDTGPMLIFMFM-UHFFFAOYSA-N -1 0 303.358 2.416 20 10 DECDRM COC(=O)[C@@H]1CC(F)(F)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139683572 796409738 /nfs/dbraw/zinc/40/97/38/796409738.db2.gz MRFRIPSQWCTEHK-JTQLQIEISA-N -1 0 307.243 2.053 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CC(N2CCC(F)(F)C2)C1 ZINC001140583868 796542147 /nfs/dbraw/zinc/54/21/47/796542147.db2.gz WRMDAGSYGZVMIQ-UHFFFAOYSA-N -1 0 304.287 2.196 20 10 DECDRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc(O)c1O ZINC001189823031 796889062 /nfs/dbraw/zinc/88/90/62/796889062.db2.gz BCIYORCCHCIKBR-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM O=S(=O)([N-]Cc1ccccc1O)c1cc(F)cc(F)c1F ZINC001190405109 796994275 /nfs/dbraw/zinc/99/42/75/796994275.db2.gz UHAYUGLFGZOMPU-UHFFFAOYSA-N -1 0 317.288 2.288 20 10 DECDRM CC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001203587047 800085833 /nfs/dbraw/zinc/08/58/33/800085833.db2.gz YZMAWNMGJYRTHV-GFCCVEGCSA-N -1 0 304.173 2.489 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCO[C@H](c3ccccn3)C2)c1 ZINC001231565415 801687834 /nfs/dbraw/zinc/68/78/34/801687834.db2.gz VLLPUZMCDGSKEU-INIZCTEOSA-N -1 0 314.341 2.059 20 10 DECDRM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cccc(Cl)c1[O-] ZINC001231911424 801748000 /nfs/dbraw/zinc/74/80/00/801748000.db2.gz DZKLZPTUAKOYSH-ZDUSSCGKSA-N -1 0 311.765 2.142 20 10 DECDRM O=C(N1CCN(Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC001231911054 801748209 /nfs/dbraw/zinc/74/82/09/801748209.db2.gz ZZGPKELQPFSLQK-UHFFFAOYSA-N -1 0 322.714 2.252 20 10 DECDRM COc1ncnc2c1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911872 801749856 /nfs/dbraw/zinc/74/98/56/801749856.db2.gz PIHYKAGJIQKVLF-UHFFFAOYSA-N -1 0 305.765 2.403 20 10 DECDRM Cc1cc2n(n1)c(=O)cc(C)n2Cc1ccc(F)c(F)c1[O-] ZINC001233077831 802023312 /nfs/dbraw/zinc/02/33/12/802023312.db2.gz ZDUWVNSTWDKVSZ-UHFFFAOYSA-N -1 0 305.284 2.145 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(OC2CCCC2)c1[O-] ZINC001227620878 803262947 /nfs/dbraw/zinc/26/29/47/803262947.db2.gz WCEOHCLWYHYGKM-UHFFFAOYSA-N -1 0 300.332 2.348 20 10 DECDRM C[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001602806518 971589686 /nfs/dbraw/zinc/58/96/86/971589686.db2.gz LSTLNXOICINLGZ-VIFPVBQESA-N -1 0 323.304 2.121 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001593709082 954171827 /nfs/dbraw/zinc/17/18/27/954171827.db2.gz QPSKMDZEVRFFDG-UHFFFAOYSA-N -1 0 314.345 2.168 20 10 DECDRM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001594919123 954792528 /nfs/dbraw/zinc/79/25/28/954792528.db2.gz BALCVOWRBZOBMG-NFAHFFEMSA-N -1 0 324.336 2.406 20 10 DECDRM Cc1cc(CNC(=O)NCCC(=O)[O-])c(C)n1-c1ccccc1 ZINC001594304573 957957463 /nfs/dbraw/zinc/95/74/63/957957463.db2.gz WXQKRYVEXYGCEM-UHFFFAOYSA-N -1 0 315.373 2.368 20 10 DECDRM O=C([O-])C1(CNC(=O)NCc2cccc(Cl)c2O)CCC1 ZINC001521227418 958227821 /nfs/dbraw/zinc/22/78/21/958227821.db2.gz ROGOFMBDHHAEJA-UHFFFAOYSA-N -1 0 312.753 2.100 20 10 DECDRM COc1ccc(N2CC[C@@H](COC(=O)C(C)(C)C(=O)[O-])C2)cc1 ZINC001594101149 958433410 /nfs/dbraw/zinc/43/34/10/958433410.db2.gz HONMDSMRTMITRX-GFCCVEGCSA-N -1 0 321.373 2.176 20 10 DECDRM Cc1cc(C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001349974802 962515875 /nfs/dbraw/zinc/51/58/75/962515875.db2.gz KZWXZNJUPXBKMY-UHFFFAOYSA-N -1 0 316.332 2.390 20 10 DECDRM CC(F)(F)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592929667 979959106 /nfs/dbraw/zinc/95/91/06/979959106.db2.gz LURQBMHMPGOYLZ-UHFFFAOYSA-N -1 0 307.680 2.114 20 10 DECDRM CCCn1c(C)nnc1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001596108859 983436160 /nfs/dbraw/zinc/43/61/60/983436160.db2.gz SPYYLFLXYURSKB-UHFFFAOYSA-N -1 0 318.377 2.340 20 10 DECDRM C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001589005536 984965634 /nfs/dbraw/zinc/96/56/34/984965634.db2.gz IVIYQIMASWMIHF-YHVDPYDOSA-N -1 0 324.336 2.364 20 10 DECDRM CN(Cc1c[nH]cn1)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598504942 992490299 /nfs/dbraw/zinc/49/02/99/992490299.db2.gz CFGJPWSGOXDZMQ-HWKANZROSA-N -1 0 302.290 2.052 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599598830 993785630 /nfs/dbraw/zinc/78/56/30/993785630.db2.gz UVNIJNKBGNWDET-QMMMGPOBSA-N -1 0 305.286 2.183 20 10 DECDRM COc1cc(NC(=O)C2=CC(=O)CS2)c(C(=O)[O-])cc1OC ZINC001599441337 997934120 /nfs/dbraw/zinc/93/41/20/997934120.db2.gz HJWOLHUGPSKLLO-UHFFFAOYSA-N -1 0 323.326 2.421 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCCCSc2nccs2)[nH]1 ZINC001602322629 1069604697 /nfs/dbraw/zinc/60/46/97/1069604697.db2.gz XFXGQEUXOZVOOM-UHFFFAOYSA-N -1 0 311.388 2.082 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC001602323802 1069605466 /nfs/dbraw/zinc/60/54/66/1069605466.db2.gz CGKKKKOQJGZODJ-UHFFFAOYSA-N -1 0 313.357 2.243 20 10 DECDRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)s1 ZINC001602513549 1069659231 /nfs/dbraw/zinc/65/92/31/1069659231.db2.gz NAGDXJZKYKAQDH-SSDOTTSWSA-N -1 0 324.383 2.238 20 10 DECDRM CC(C)(C)OC(=O)NCCSc1ncc(C(=O)[O-])s1 ZINC001603467896 1069973474 /nfs/dbraw/zinc/97/34/74/1069973474.db2.gz SGEQYAHUINGVLW-UHFFFAOYSA-N -1 0 304.393 2.458 20 10 DECDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCOc2cc(N(C)C)ccc21 ZINC001604478488 1070405986 /nfs/dbraw/zinc/40/59/86/1070405986.db2.gz VHYFHPGQYRTFDV-SNVBAGLBSA-N -1 0 317.345 2.399 20 10 DECDRM CN1CCCc2cc(CNc3ncccc3-c3nn[nH]n3)ccc21 ZINC001604863189 1070518017 /nfs/dbraw/zinc/51/80/17/1070518017.db2.gz VHKXFWCTKUMUQA-UHFFFAOYSA-N -1 0 321.388 2.256 20 10 DECDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001604901380 1070529359 /nfs/dbraw/zinc/52/93/59/1070529359.db2.gz GEQMJRGOYSBJDN-CQSZACIVSA-N -1 0 306.322 2.222 20 10 DECDRM CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C(=O)[O-] ZINC001605980019 1070997674 /nfs/dbraw/zinc/99/76/74/1070997674.db2.gz HMTMBCUXRASOKQ-UHFFFAOYSA-N -1 0 309.343 2.248 20 10 DECDRM Nc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000063209281 1074989713 /nfs/dbraw/zinc/98/97/13/1074989713.db2.gz QBJOGUWKPMOOCH-UHFFFAOYSA-N -1 0 324.362 2.213 20 10 DECDRM Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)nc1 ZINC001600620249 1077235239 /nfs/dbraw/zinc/23/52/39/1077235239.db2.gz CDCSXHQNXYBDEZ-UHFFFAOYSA-N -1 0 321.764 2.231 20 10 DECDRM Cc1oc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC001600847147 1077287449 /nfs/dbraw/zinc/28/74/49/1077287449.db2.gz PVOGDOMGJCTJRA-HYXAFXHYSA-N -1 0 317.297 2.027 20 10 DECDRM Nc1ccc(CC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001601216241 1077358317 /nfs/dbraw/zinc/35/83/17/1077358317.db2.gz REJRPCBJFRAZGE-UHFFFAOYSA-N -1 0 310.353 2.094 20 10 DECDRM O=C([O-])C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC001601429335 1077394169 /nfs/dbraw/zinc/39/41/69/1077394169.db2.gz AIFQDWALQXYOMS-UHFFFAOYSA-N -1 0 321.354 2.440 20 10 DECDRM O=C([O-])c1cc(C(=O)NCc2c(O)ccc3ccccc32)no1 ZINC001601530849 1077407363 /nfs/dbraw/zinc/40/73/63/1077407363.db2.gz YYAKYEWQDIOCLT-UHFFFAOYSA-N -1 0 312.281 2.162 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601880850 1077469357 /nfs/dbraw/zinc/46/93/57/1077469357.db2.gz IRBLAAYTAJROJZ-DUXPYHPUSA-N -1 0 318.329 2.452 20 10 DECDRM O=C([O-])Cc1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001602135911 1077513124 /nfs/dbraw/zinc/51/31/24/1077513124.db2.gz AJDVSKATHRMZTO-UHFFFAOYSA-N -1 0 318.285 2.245 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2c(O)cccc2F)cc1F ZINC001608464477 1077644235 /nfs/dbraw/zinc/64/42/35/1077644235.db2.gz VNHQYVSNZYEMEI-UHFFFAOYSA-N -1 0 307.252 2.299 20 10 DECDRM CCC(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808637 1080493036 /nfs/dbraw/zinc/49/30/36/1080493036.db2.gz VHAHLWKBMMLRJB-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM COc1cc(F)cc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1 ZINC001212566360 1086560075 /nfs/dbraw/zinc/56/00/75/1086560075.db2.gz QBMXWRZZLAPBEW-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC001351743283 1151605172 /nfs/dbraw/zinc/60/51/72/1151605172.db2.gz WJKJJZPMOVXVOA-GHMZBOCLSA-N -1 0 320.172 2.421 20 10 DECDRM CN1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H](C1)O2 ZINC001275270685 1091646208 /nfs/dbraw/zinc/64/62/08/1091646208.db2.gz FWRSGJZYCODHCC-TXEJJXNPSA-N -1 0 317.216 2.214 20 10 DECDRM COc1ccc(CN2CCc3cnn(C)c3C2)c([O-])c1Cl ZINC001236807321 1138434565 /nfs/dbraw/zinc/43/45/65/1138434565.db2.gz NVWXCLGWJGIERF-UHFFFAOYSA-N -1 0 307.781 2.346 20 10 DECDRM COc1ccc(CN2CCN(CCF)CC2)c([O-])c1Cl ZINC001236812091 1138436713 /nfs/dbraw/zinc/43/67/13/1138436713.db2.gz RBQVJIWVHJNRMF-UHFFFAOYSA-N -1 0 302.777 2.141 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001237618059 1138718380 /nfs/dbraw/zinc/71/83/80/1138718380.db2.gz XAHNLYBDSWBQST-CUOATXAZSA-N -1 0 315.772 2.156 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237805353 1138795873 /nfs/dbraw/zinc/79/58/73/1138795873.db2.gz LOXQGTSIKNHKSK-LLVKDONJSA-N -1 0 321.801 2.194 20 10 DECDRM C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-] ZINC001262162974 1144296620 /nfs/dbraw/zinc/29/66/20/1144296620.db2.gz DELODIJOGWCCQN-PELKAZGASA-N -1 0 317.332 2.417 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CC12CCCC2 ZINC001262181827 1144297700 /nfs/dbraw/zinc/29/77/00/1144297700.db2.gz ZDZBOCNZRVWOTJ-CYBMUJFWSA-N -1 0 303.358 2.386 20 10 DECDRM COCC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001329689391 1148972416 /nfs/dbraw/zinc/97/24/16/1148972416.db2.gz GZNGFOGYIMGJAD-SNVBAGLBSA-N -1 0 308.161 2.278 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(Cl)c2[O-])CN1C1CC1 ZINC000280543642 403011368 /nfs/dbraw/zinc/01/13/68/403011368.db2.gz STVKRKLPUGXORT-UHFFFAOYSA-N -1 0 301.173 2.463 20 10 DECDRM CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000293643219 403526706 /nfs/dbraw/zinc/52/67/06/403526706.db2.gz MKTMEAUQHFDULG-UHFFFAOYSA-N -1 0 321.333 2.458 20 10 DECDRM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000295328279 403859132 /nfs/dbraw/zinc/85/91/32/403859132.db2.gz PCEUYYXNSCWACI-BONVTDFDSA-N -1 0 311.353 2.418 20 10 DECDRM Cc1ccc(C(=O)N(C)CCNC(=O)OC(C)(C)C)c(O)c1O ZINC000296966759 404393222 /nfs/dbraw/zinc/39/32/22/404393222.db2.gz OGESTOGOHHRUKK-UHFFFAOYSA-N -1 0 324.377 2.003 20 10 DECDRM O=C([O-])C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000821369341 598220813 /nfs/dbraw/zinc/22/08/13/598220813.db2.gz QYJISPCJQNDMTR-FNORWQNLSA-N -1 0 305.330 2.015 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000739624904 600006349 /nfs/dbraw/zinc/00/63/49/600006349.db2.gz MYIBNUVQVQUIPE-DUXPYHPUSA-N -1 0 320.345 2.291 20 10 DECDRM C[C@H](O)C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736674878 600240773 /nfs/dbraw/zinc/24/07/73/600240773.db2.gz HCTASFDGMJZXSN-TZNOJPMFSA-N -1 0 320.345 2.290 20 10 DECDRM O=C([O-])CN(C(=O)/C=C/c1cccnc1)c1cccc(F)c1 ZINC000833242550 601145212 /nfs/dbraw/zinc/14/52/12/601145212.db2.gz OKOSIRVWPMAIJT-VOTSOKGWSA-N -1 0 300.289 2.352 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832890057 601288519 /nfs/dbraw/zinc/28/85/19/601288519.db2.gz YZDXKVJQTLJAPU-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM O=C([O-])CCc1nc(COc2ccc(N3CCCC3)cc2)no1 ZINC000833242882 601374970 /nfs/dbraw/zinc/37/49/70/601374970.db2.gz WMIDKYHWPSSUGG-UHFFFAOYSA-N -1 0 317.345 2.266 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H](C)CC(=O)[O-])cc1F ZINC000829687119 602156400 /nfs/dbraw/zinc/15/64/00/602156400.db2.gz FVVZAJNHWADDRC-NSHDSACASA-N -1 0 310.369 2.399 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cc1 ZINC000828356335 603868139 /nfs/dbraw/zinc/86/81/39/603868139.db2.gz XQVLSRCKYJUNQJ-KRWDZBQOSA-N -1 0 319.405 2.101 20 10 DECDRM Cc1c(CN2CCCc3cc(CNC(=O)[O-])ccc32)cnn1C ZINC000829858860 604343551 /nfs/dbraw/zinc/34/35/51/604343551.db2.gz GATTVXLCSPCURA-UHFFFAOYSA-N -1 0 314.389 2.449 20 10 DECDRM C[C@H](CC(=O)NCc1ccccc1O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824665284 604580599 /nfs/dbraw/zinc/58/05/99/604580599.db2.gz TXIQQPSLDHAWQB-OCCSQVGLSA-N -1 0 320.389 2.425 20 10 DECDRM O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000833094401 604766270 /nfs/dbraw/zinc/76/62/70/604766270.db2.gz HEJJDPRHIORBIY-MNDMWVCDSA-N -1 0 314.293 2.480 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C[C@@H](NC(=O)[O-])C2CC2)cc1 ZINC000833874466 605610739 /nfs/dbraw/zinc/61/07/39/605610739.db2.gz NZUYRDRZASIUQX-OAHLLOKOSA-N -1 0 319.405 2.147 20 10 DECDRM O=C([O-])N1[C@H](C(=O)NCc2ccccc2O)C[C@@H]2CCCC[C@@H]21 ZINC000831718758 605827968 /nfs/dbraw/zinc/82/79/68/605827968.db2.gz CGYQCXGBFSAWBL-UBHSHLNASA-N -1 0 318.373 2.320 20 10 DECDRM [O-]c1c(Br)cccc1CNCc1csnn1 ZINC000309489369 625189533 /nfs/dbraw/zinc/18/95/33/625189533.db2.gz HVBMSQLADICXNZ-UHFFFAOYSA-N -1 0 300.181 2.296 20 10 DECDRM COC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000784668007 625831647 /nfs/dbraw/zinc/83/16/47/625831647.db2.gz NNPVSQIVYHQEBV-JOYOIKCWSA-N -1 0 303.761 2.420 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1CC12CCOCC2 ZINC000922105308 635867333 /nfs/dbraw/zinc/86/73/33/635867333.db2.gz SBIORAHHKDCDQJ-NSHDSACASA-N -1 0 308.353 2.147 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@@](F)(CO)C1 ZINC000894686558 637163896 /nfs/dbraw/zinc/16/38/96/637163896.db2.gz RVXYVFRBOYZKHA-LBPRGKRZSA-N -1 0 322.149 2.200 20 10 DECDRM COCc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000741844259 638019387 /nfs/dbraw/zinc/01/93/87/638019387.db2.gz QYPJMOFUKISJOQ-LFIBNONCSA-N -1 0 308.337 2.294 20 10 DECDRM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)o1 ZINC000773370358 641765292 /nfs/dbraw/zinc/76/52/92/641765292.db2.gz MNRAQMOCGFHSPR-UHFFFAOYSA-N -1 0 324.387 2.246 20 10 DECDRM O=C([O-])c1coc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000899341846 642039080 /nfs/dbraw/zinc/03/90/80/642039080.db2.gz LAXZPQAWUBCPFN-XFFZJAGNSA-N -1 0 306.343 2.434 20 10 DECDRM C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775702808 642080734 /nfs/dbraw/zinc/08/07/34/642080734.db2.gz ZHTVEHWYWATVFY-MRVPVSSYSA-N -1 0 309.790 2.050 20 10 DECDRM CCS(=O)(=O)CCN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717172 642084134 /nfs/dbraw/zinc/08/41/34/642084134.db2.gz NBSPOQSFOWRSFN-UHFFFAOYSA-N -1 0 309.790 2.051 20 10 DECDRM Cc1ccccc1CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776433352 642172479 /nfs/dbraw/zinc/17/24/79/642172479.db2.gz RNWYVCWBFJQVRR-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1F ZINC000780490045 642631186 /nfs/dbraw/zinc/63/11/86/642631186.db2.gz JTBLQRBEPGEMGZ-INIZCTEOSA-N -1 0 323.368 2.040 20 10 DECDRM COc1cc(O)ccc1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000901704333 642749277 /nfs/dbraw/zinc/74/92/77/642749277.db2.gz QXNPVMOGENIVLA-GFCCVEGCSA-N -1 0 317.407 2.204 20 10 DECDRM [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000792173670 644084127 /nfs/dbraw/zinc/08/41/27/644084127.db2.gz IDRHOCPLKAOKAW-UHFFFAOYSA-N -1 0 311.748 2.257 20 10 DECDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000795275441 644543740 /nfs/dbraw/zinc/54/37/40/644543740.db2.gz CETCKVRVZSSQBP-UHFFFAOYSA-N -1 0 323.370 2.348 20 10 DECDRM CC1(C)CO[C@@H](CC(=O)N(CC(=O)[O-])Cc2ccccc2O)C1 ZINC000911487094 645721518 /nfs/dbraw/zinc/72/15/18/645721518.db2.gz BBXXSRAIJPSLOF-ZDUSSCGKSA-N -1 0 321.373 2.011 20 10 DECDRM CCc1ncsc1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911487674 645721932 /nfs/dbraw/zinc/72/19/32/645721932.db2.gz GNYFIEGICSPIBD-UHFFFAOYSA-N -1 0 320.370 2.138 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164023865 646411782 /nfs/dbraw/zinc/41/17/82/646411782.db2.gz ZZUFQQGYHZNALW-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM Cn1cncc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000811530194 646540692 /nfs/dbraw/zinc/54/06/92/646540692.db2.gz XAXNSDREEOJVDW-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@]1(O)CCSC1 ZINC000813684673 646799363 /nfs/dbraw/zinc/79/93/63/646799363.db2.gz UIPCXYPPVYCYIQ-LBPRGKRZSA-N -1 0 322.213 2.183 20 10 DECDRM CSCC[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683706 646799587 /nfs/dbraw/zinc/79/95/87/646799587.db2.gz AKBQPTJTMBRETJ-JTQLQIEISA-N -1 0 324.229 2.429 20 10 DECDRM COC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)O1 ZINC000816586477 647155769 /nfs/dbraw/zinc/15/57/69/647155769.db2.gz IYZSWVCJLUFHSV-MWLCHTKSSA-N -1 0 303.761 2.420 20 10 DECDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)s1 ZINC000917716344 648025058 /nfs/dbraw/zinc/02/50/58/648025058.db2.gz WWXJFKQWWMEREQ-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM CN(C)C(=O)O[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824576750 648614243 /nfs/dbraw/zinc/61/42/43/648614243.db2.gz RYORZFBQKUCZQD-VIFPVBQESA-N -1 0 316.760 2.457 20 10 DECDRM Cc1noc(C2CN(Cc3ccc(Br)cc3O)C2)n1 ZINC000826113324 648851840 /nfs/dbraw/zinc/85/18/40/648851840.db2.gz JJDNJBVHKBURIG-UHFFFAOYSA-N -1 0 324.178 2.446 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000846704762 651347333 /nfs/dbraw/zinc/34/73/33/651347333.db2.gz OZSUXHPWFVZQHV-VHSXEESVSA-N -1 0 314.432 2.242 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNc2ccn(C3CCOCC3)n2)c1 ZINC000850383843 651916589 /nfs/dbraw/zinc/91/65/89/651916589.db2.gz VPDAOTPGMBNROM-UHFFFAOYSA-N -1 0 318.333 2.461 20 10 DECDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852942726 652481752 /nfs/dbraw/zinc/48/17/52/652481752.db2.gz MFSCAGHMKQHKGB-SFHVURJKSA-N -1 0 317.385 2.388 20 10 DECDRM C[C@H](NC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043767 693885480 /nfs/dbraw/zinc/88/54/80/693885480.db2.gz LHXIGRWVZVILTP-SJCJKPOMSA-N -1 0 319.405 2.462 20 10 DECDRM O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccnn1CC1CCC1 ZINC000865216932 686967099 /nfs/dbraw/zinc/96/70/99/686967099.db2.gz GSUITQFKRUFUKY-WJDWOHSUSA-N -1 0 322.368 2.145 20 10 DECDRM CCOC(=O)c1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1C ZINC000871947505 688899729 /nfs/dbraw/zinc/89/97/29/688899729.db2.gz BYYCRKFVYJLFKN-LURJTMIESA-N -1 0 300.236 2.006 20 10 DECDRM CN(Cc1nc(C2CCC2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC000872161106 688942066 /nfs/dbraw/zinc/94/20/66/688942066.db2.gz SLVIKPVSRYOMJX-UHFFFAOYSA-N -1 0 317.345 2.437 20 10 DECDRM CN(CCO)c1ccc(NCc2ccc(F)c(F)c2[O-])nc1 ZINC000877095965 690017292 /nfs/dbraw/zinc/01/72/92/690017292.db2.gz WKVPAGKXVQOJED-UHFFFAOYSA-N -1 0 309.316 2.106 20 10 DECDRM CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877480930 690126013 /nfs/dbraw/zinc/12/60/13/690126013.db2.gz NVEUPBCXZKXYJH-NSHDSACASA-N -1 0 319.373 2.070 20 10 DECDRM O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878712 791644762 /nfs/dbraw/zinc/64/47/62/791644762.db2.gz PHYNBSCLBBTJTC-UHFFFAOYSA-N -1 0 323.308 2.147 20 10 DECDRM O=C(Nc1ccn2ccnc2c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147881409 791647332 /nfs/dbraw/zinc/64/73/32/791647332.db2.gz WSPKYHBXXUKOAO-UHFFFAOYSA-N -1 0 319.324 2.066 20 10 DECDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001119550386 795321689 /nfs/dbraw/zinc/32/16/89/795321689.db2.gz SXOSRHXQHHOUCR-GZMMTYOYSA-N -1 0 317.744 2.297 20 10 DECDRM CCOC(=O)[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CCS1 ZINC001139687827 796410383 /nfs/dbraw/zinc/41/03/83/796410383.db2.gz QRSFRNDMOVQCEP-GFCCVEGCSA-N -1 0 317.357 2.151 20 10 DECDRM O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)C(F)F ZINC001142788846 796770942 /nfs/dbraw/zinc/77/09/42/796770942.db2.gz MMIXKSQQXMOHAI-UHFFFAOYSA-N -1 0 317.247 2.371 20 10 DECDRM COc1cnccc1CCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193635433 797597498 /nfs/dbraw/zinc/59/74/98/797597498.db2.gz UGLBGFBRIRFTKU-UHFFFAOYSA-N -1 0 322.748 2.127 20 10 DECDRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC001193599570 797601018 /nfs/dbraw/zinc/60/10/18/797601018.db2.gz BMYJTJJYYTZIQU-UHFFFAOYSA-N -1 0 303.343 2.080 20 10 DECDRM C[C@]1(CO)CCCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193606187 797601995 /nfs/dbraw/zinc/60/19/95/797601995.db2.gz VWJZOWFQSPAIFB-HNNXBMFYSA-N -1 0 313.781 2.376 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001593760529 954481846 /nfs/dbraw/zinc/48/18/46/954481846.db2.gz BTEYJHRFSOLGGX-VOTSOKGWSA-N -1 0 301.298 2.355 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc2cccnc2c1O ZINC001589475700 954955516 /nfs/dbraw/zinc/95/55/16/954955516.db2.gz HUEKYNFOVCPAOF-UHFFFAOYSA-N -1 0 316.357 2.448 20 10 DECDRM COc1ccc(N2CC[C@H](COC(=O)C(C)(C)C(=O)[O-])C2)cc1 ZINC001594101151 958433768 /nfs/dbraw/zinc/43/37/68/958433768.db2.gz HONMDSMRTMITRX-LBPRGKRZSA-N -1 0 321.373 2.176 20 10 DECDRM O=C([O-])CC1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC001606071531 973218623 /nfs/dbraw/zinc/21/86/23/973218623.db2.gz GRPSCTWAQBDZOY-UHFFFAOYSA-N -1 0 314.341 2.202 20 10 DECDRM CCc1nnc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)s1 ZINC001597728444 989027194 /nfs/dbraw/zinc/02/71/94/989027194.db2.gz GNXPEZGWAGMLDI-MRVPVSSYSA-N -1 0 307.375 2.355 20 10 DECDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC001598541228 992903396 /nfs/dbraw/zinc/90/33/96/992903396.db2.gz LESMUQUFQMEVBS-ICGPHACGSA-N -1 0 320.345 2.432 20 10 DECDRM COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC001599584034 993589278 /nfs/dbraw/zinc/58/92/78/993589278.db2.gz LNEVVEMJRAKXTH-ZDUSSCGKSA-N -1 0 322.405 2.091 20 10 DECDRM O=C([O-])c1coc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001602550760 1069672552 /nfs/dbraw/zinc/67/25/52/1069672552.db2.gz PCGOPOXRZPPHLX-UHFFFAOYSA-N -1 0 307.649 2.420 20 10 DECDRM CC1CCN(C(=O)COc2ccc(N(C)C)c(C(=O)[O-])c2)CC1 ZINC001604742839 1070483211 /nfs/dbraw/zinc/48/32/11/1070483211.db2.gz DSNMPLMOBWDVHV-UHFFFAOYSA-N -1 0 320.389 2.088 20 10 DECDRM CCN(CC)c1ccc(CNc2ccnc(C(=O)[O-])n2)cc1F ZINC001605435846 1070710850 /nfs/dbraw/zinc/71/08/50/1070710850.db2.gz RBPFRUQXBCLNPG-UHFFFAOYSA-N -1 0 318.352 2.194 20 10 DECDRM CN(C)c1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001606058998 1071031582 /nfs/dbraw/zinc/03/15/82/1071031582.db2.gz VYOFEAWZGMABGX-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC001607451647 1071447371 /nfs/dbraw/zinc/44/73/71/1071447371.db2.gz FZNCOQUNVDTZMD-LLVKDONJSA-N -1 0 315.325 2.213 20 10 DECDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1ccc(N(C)C)cc1 ZINC001607495958 1071459969 /nfs/dbraw/zinc/45/99/69/1071459969.db2.gz SQHIBWINQNNRGR-UHFFFAOYSA-N -1 0 302.330 2.349 20 10 DECDRM CN(C)C(=O)CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001462072840 1058757990 /nfs/dbraw/zinc/75/79/90/1058757990.db2.gz MDBMTUFTFFPAOL-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM O=C([O-])C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCOC1 ZINC001610758129 1078072428 /nfs/dbraw/zinc/07/24/28/1078072428.db2.gz KIEQGWXXANCWTE-CQSZACIVSA-N -1 0 317.744 2.298 20 10 DECDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1O ZINC001635803814 1078459537 /nfs/dbraw/zinc/45/95/37/1078459537.db2.gz KVLRARVHTCMFTH-VIFPVBQESA-N -1 0 302.286 2.497 20 10 DECDRM CC(=O)Nc1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001638034070 1078545711 /nfs/dbraw/zinc/54/57/11/1078545711.db2.gz ABIOVSLZVAJZFJ-UHFFFAOYSA-N -1 0 304.277 2.448 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[n-]ncc1=O ZINC001540488048 1072414580 /nfs/dbraw/zinc/41/45/80/1072414580.db2.gz ARHMYAPAKUILDB-UHFFFAOYSA-N -1 0 312.373 2.055 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)c(O)c1O ZINC001600335707 1077182783 /nfs/dbraw/zinc/18/27/83/1077182783.db2.gz XYWPPPJLIKOOQD-JTQLQIEISA-N -1 0 307.327 2.023 20 10 DECDRM Cn1c2ccc(F)cc2c(CNCc2cc[nH]n2)c1C(=O)[O-] ZINC001600901463 1077299174 /nfs/dbraw/zinc/29/91/74/1077299174.db2.gz ICVGIVLNKNOOGJ-UHFFFAOYSA-N -1 0 302.309 2.029 20 10 DECDRM Nc1ccc(CC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001601216086 1077358443 /nfs/dbraw/zinc/35/84/43/1077358443.db2.gz NAIHAIJPFFSBSD-AWEZNQCLSA-N -1 0 304.390 2.209 20 10 DECDRM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001601660960 1077427236 /nfs/dbraw/zinc/42/72/36/1077427236.db2.gz ZEFOXGNGSJOIEO-AWEZNQCLSA-N -1 0 307.296 2.456 20 10 DECDRM O=C([O-])/C=C\c1ccc(C(=O)NCc2c(O)cccc2F)o1 ZINC001601873935 1077467187 /nfs/dbraw/zinc/46/71/87/1077467187.db2.gz ABVWRVOAVUWFRY-ALCCZGGFSA-N -1 0 305.261 2.152 20 10 DECDRM O=C([O-])C[C@@H](NC(=O)c1cccc(O)c1O)c1cccs1 ZINC001601905537 1077473602 /nfs/dbraw/zinc/47/36/02/1077473602.db2.gz JBKRZGYSUDKGFA-SECBINFHSA-N -1 0 307.327 2.105 20 10 DECDRM CN(C[C@H](O)c1cccc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610110541 1077981259 /nfs/dbraw/zinc/98/12/59/1077981259.db2.gz KWAZVHWUNPAYSY-INIZCTEOSA-N -1 0 319.332 2.459 20 10 DECDRM CCOC(=O)CN(CC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236807307 1138434775 /nfs/dbraw/zinc/43/47/75/1138434775.db2.gz NNAVJTUMBROKDV-UHFFFAOYSA-N -1 0 301.770 2.439 20 10 DECDRM COC(=O)C(C)(C)CNC(=O)NCc1cccc(Cl)c1O ZINC001340001117 1143229084 /nfs/dbraw/zinc/22/90/84/1143229084.db2.gz AVATZUIJAZBMTQ-UHFFFAOYSA-N -1 0 314.769 2.044 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CC1CC(F)(F)C1 ZINC001262181356 1144297773 /nfs/dbraw/zinc/29/77/73/1144297773.db2.gz KJWPYLAEQQATEQ-UHFFFAOYSA-N -1 0 313.300 2.241 20 10 DECDRM Cc1nc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001327440399 1148554890 /nfs/dbraw/zinc/55/48/90/1148554890.db2.gz RVEYFRHKPPUWFB-LURJTMIESA-N -1 0 312.713 2.496 20 10 DECDRM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@@]12CCOC2 ZINC000195014632 296591336 /nfs/dbraw/zinc/59/13/36/296591336.db2.gz HYPRHYQTOITUDD-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM CCN(Cc1cc(Br)ccc1O)C(=O)C[NH+](C)C ZINC000175843026 402837345 /nfs/dbraw/zinc/83/73/45/402837345.db2.gz CKQFZVCTTCTHLT-UHFFFAOYSA-N -1 0 315.211 2.065 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000189427017 523830348 /nfs/dbraw/zinc/83/03/48/523830348.db2.gz YBTRDSHVOKLILP-UHFFFAOYSA-N -1 0 309.391 2.106 20 10 DECDRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c(O)c1O ZINC000821070131 597668847 /nfs/dbraw/zinc/66/88/47/597668847.db2.gz PXTBQSXHAWYMKA-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM CCn1ccnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000737302322 600314164 /nfs/dbraw/zinc/31/41/64/600314164.db2.gz DKCXCYWXVFQHMK-UHFFFAOYSA-N -1 0 323.780 2.349 20 10 DECDRM CN(C)c1ccc(CNC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000830639344 601406716 /nfs/dbraw/zinc/40/67/16/601406716.db2.gz FDADEEMQHHLQPQ-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000738402486 602771593 /nfs/dbraw/zinc/77/15/93/602771593.db2.gz VLVIBRPACMJHMN-OAHLLOKOSA-N -1 0 321.421 2.360 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)CCCN(C)C(=O)[O-] ZINC000738401477 602771963 /nfs/dbraw/zinc/77/19/63/602771963.db2.gz DKWDOLBDYDFLAO-UHFFFAOYSA-N -1 0 307.394 2.067 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)NC(=O)[O-] ZINC000827156074 603419027 /nfs/dbraw/zinc/41/90/27/603419027.db2.gz AWEXNZOCYSTJIV-LBPRGKRZSA-N -1 0 307.394 2.147 20 10 DECDRM CC(C)(C[NH2+]Cc1cccc(Br)c1[O-])NC(=O)[O-] ZINC000824005718 603575754 /nfs/dbraw/zinc/57/57/54/603575754.db2.gz DYCCGMNGPNYZSU-UHFFFAOYSA-N -1 0 317.183 2.291 20 10 DECDRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000833488321 605526271 /nfs/dbraw/zinc/52/62/71/605526271.db2.gz OJZPQNKFMSHEJA-GQCTYLIASA-N -1 0 307.346 2.070 20 10 DECDRM O=C([O-])NC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000834191037 605990418 /nfs/dbraw/zinc/99/04/18/605990418.db2.gz YDVYLQFAEIZBMU-UHFFFAOYSA-N -1 0 302.733 2.417 20 10 DECDRM Cc1ccc(F)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000735077010 633459678 /nfs/dbraw/zinc/45/96/78/633459678.db2.gz IHUXAAMIEZGXPE-BJMVGYQFSA-N -1 0 311.359 2.420 20 10 DECDRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894531805 637092823 /nfs/dbraw/zinc/09/28/23/637092823.db2.gz DIMTVRZUYRTFMJ-LQJRIPTKSA-N -1 0 311.328 2.444 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000764677285 640676020 /nfs/dbraw/zinc/67/60/20/640676020.db2.gz GUSBSANWUBBQAB-LLVKDONJSA-N -1 0 321.801 2.194 20 10 DECDRM CC(=O)c1cn(C2CN(Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000897939584 640980418 /nfs/dbraw/zinc/98/04/18/640980418.db2.gz YIBIDWWUFQKYRF-UHFFFAOYSA-N -1 0 324.743 2.036 20 10 DECDRM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1C(C)=O)C(C)C ZINC000842588591 650772013 /nfs/dbraw/zinc/77/20/13/650772013.db2.gz NCNMTOQYMWTUPM-CQSZACIVSA-N -1 0 315.391 2.008 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)ccc1O ZINC000901907801 642829213 /nfs/dbraw/zinc/82/92/13/642829213.db2.gz WGXWAFRJUMCXDM-UHFFFAOYSA-N -1 0 307.375 2.423 20 10 DECDRM CC(=O)Nc1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1 ZINC000789940678 643793713 /nfs/dbraw/zinc/79/37/13/643793713.db2.gz CVIASYKRZJHJMX-UHFFFAOYSA-N -1 0 304.277 2.448 20 10 DECDRM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C1CC1 ZINC000790750301 643888110 /nfs/dbraw/zinc/88/81/10/643888110.db2.gz PLCKSLCOQSTUNC-DTWKUNHWSA-N -1 0 318.337 2.034 20 10 DECDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)s1 ZINC000797819470 644926829 /nfs/dbraw/zinc/92/68/29/644926829.db2.gz KEKSCCJINGZCRR-UHFFFAOYSA-N -1 0 314.388 2.221 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000911119569 645635750 /nfs/dbraw/zinc/63/57/50/645635750.db2.gz YMXQBMZHTGVHDJ-UHFFFAOYSA-N -1 0 319.386 2.180 20 10 DECDRM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484395 645720387 /nfs/dbraw/zinc/72/03/87/645720387.db2.gz NDWNMNBMOXONMO-SUMWQHHRSA-N -1 0 305.374 2.488 20 10 DECDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1O ZINC000163847127 646404654 /nfs/dbraw/zinc/40/46/54/646404654.db2.gz VNWWSXSZFOTAAN-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000163902798 646407211 /nfs/dbraw/zinc/40/72/11/646407211.db2.gz UCMZEJNLJVQUNX-UHFFFAOYSA-N -1 0 319.342 2.292 20 10 DECDRM O=C(C[NH+]1CCCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000822949991 648321470 /nfs/dbraw/zinc/32/14/70/648321470.db2.gz WEKXHYHHLFFKAH-UHFFFAOYSA-N -1 0 303.189 2.411 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000846709466 651347523 /nfs/dbraw/zinc/34/75/23/651347523.db2.gz GFBOCJPHUZHMIU-GOSISDBHSA-N -1 0 316.401 2.488 20 10 DECDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000852944022 652482130 /nfs/dbraw/zinc/48/21/30/652482130.db2.gz HGVWWHAZKQLQPV-ZDUSSCGKSA-N -1 0 314.432 2.242 20 10 DECDRM COC[C@@]1(C)CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000862551222 686320890 /nfs/dbraw/zinc/32/08/90/686320890.db2.gz KCOSJTGFAUHLSP-CQSZACIVSA-N -1 0 303.761 2.422 20 10 DECDRM CN(C)c1cc(F)c(CNCc2nocc2C(=O)[O-])cc1F ZINC000864516242 686742972 /nfs/dbraw/zinc/74/29/72/686742972.db2.gz KJRSBXTYVVJWQS-UHFFFAOYSA-N -1 0 311.288 2.007 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC(=O)O1 ZINC000868357305 687988851 /nfs/dbraw/zinc/98/88/51/687988851.db2.gz TXICHNJFDRYBEZ-SECBINFHSA-N -1 0 304.129 2.021 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874412369 689406542 /nfs/dbraw/zinc/40/65/42/689406542.db2.gz AXXLNEHHCFUSLL-OKILXGFUSA-N -1 0 319.405 2.147 20 10 DECDRM Cc1cc(CN2CCN(Cc3ccc(F)c(F)c3[O-])CC2)on1 ZINC000876554410 689854632 /nfs/dbraw/zinc/85/46/32/689854632.db2.gz MQAPCRKODFPQNO-UHFFFAOYSA-N -1 0 323.343 2.285 20 10 DECDRM Cc1c(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cnn1C ZINC000882799533 691363687 /nfs/dbraw/zinc/36/36/87/691363687.db2.gz GVKOFZBXGYHYCA-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001144298811 790849312 /nfs/dbraw/zinc/84/93/12/790849312.db2.gz JPBYXSGGAVLANN-JOYOIKCWSA-N -1 0 322.149 2.199 20 10 DECDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC001174564179 794021075 /nfs/dbraw/zinc/02/10/75/794021075.db2.gz KUBHSGUFFWHASN-UHFFFAOYSA-N -1 0 308.359 2.092 20 10 DECDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1Cc2cccc(O)c2C1 ZINC001175029409 794124826 /nfs/dbraw/zinc/12/48/26/794124826.db2.gz DHXLNQMVJKIORQ-UHFFFAOYSA-N -1 0 300.270 2.162 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001138152126 796171857 /nfs/dbraw/zinc/17/18/57/796171857.db2.gz AVARMOSYXFUIIM-MRVPVSSYSA-N -1 0 323.295 2.443 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@@H](F)CC1 ZINC001139127642 796329678 /nfs/dbraw/zinc/32/96/78/796329678.db2.gz ZQEKSICPXUIITH-ZDUSSCGKSA-N -1 0 319.332 2.310 20 10 DECDRM O=C(NCc1ccc(Cl)nn1)c1cc(O)c([O-])c(Cl)c1 ZINC001193626558 797595117 /nfs/dbraw/zinc/59/51/17/797595117.db2.gz WRNUATYPOUGINK-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM CCCCN(CC(=O)OCC)Cc1cc(C(=O)[O-])ccc1O ZINC001231567220 801687720 /nfs/dbraw/zinc/68/77/20/801687720.db2.gz XLUQGTUANRURPY-UHFFFAOYSA-N -1 0 309.362 2.256 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CC(Oc3ccccc3F)C2)c1 ZINC001231565240 801688202 /nfs/dbraw/zinc/68/82/02/801688202.db2.gz BSXCOLWDZTUZHM-UHFFFAOYSA-N -1 0 317.316 2.493 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001233032293 802007756 /nfs/dbraw/zinc/00/77/56/802007756.db2.gz YLJOMQVAZNKXFW-DTORHVGOSA-N -1 0 302.143 2.267 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@H]1CCO1 ZINC001227938208 803297424 /nfs/dbraw/zinc/29/74/24/803297424.db2.gz UENUWJFZRSDSDH-GFCCVEGCSA-N -1 0 300.310 2.497 20 10 DECDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001602815561 971619141 /nfs/dbraw/zinc/61/91/41/971619141.db2.gz ZXOJMZZYBHIVFS-ZETCQYMHSA-N -1 0 321.354 2.390 20 10 DECDRM O=C([O-])CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001594993999 951070654 /nfs/dbraw/zinc/07/06/54/951070654.db2.gz REGWVQTXPKMRQV-UHFFFAOYSA-N -1 0 303.314 2.379 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC001593708951 954170011 /nfs/dbraw/zinc/17/00/11/954170011.db2.gz MCJKLICAWLDDKZ-NWDGAFQWSA-N -1 0 308.353 2.009 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001589079699 955844161 /nfs/dbraw/zinc/84/41/61/955844161.db2.gz WBCPHKUUDFCKRZ-LLVKDONJSA-N -1 0 321.373 2.180 20 10 DECDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC001594727165 957015570 /nfs/dbraw/zinc/01/55/70/957015570.db2.gz RHUQYUCRMKEZFE-OLZOCXBDSA-N -1 0 313.309 2.141 20 10 DECDRM CN(CCCC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001520851477 958211058 /nfs/dbraw/zinc/21/10/58/958211058.db2.gz BNOBWEAWXKKLMB-UHFFFAOYSA-N -1 0 319.405 2.293 20 10 DECDRM C[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(Br)c1[O-] ZINC000213243638 959719774 /nfs/dbraw/zinc/71/97/74/959719774.db2.gz LBINYUZLOPQGAT-UHFFFAOYSA-N -1 0 308.559 2.325 20 10 DECDRM CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001604190254 972624619 /nfs/dbraw/zinc/62/46/19/972624619.db2.gz OUEFNKXJOXSRCK-CLFYSBASSA-N -1 0 301.298 2.355 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2c(O)cccc2O)c1 ZINC001605138035 972802065 /nfs/dbraw/zinc/80/20/65/972802065.db2.gz DALYYQSOUUXIKS-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001604821228 974061311 /nfs/dbraw/zinc/06/13/11/974061311.db2.gz SAJJTGCPTXGPQB-HWKANZROSA-N -1 0 317.297 2.022 20 10 DECDRM CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC001595587254 981540043 /nfs/dbraw/zinc/54/00/43/981540043.db2.gz GSDXYUHZIYLLMP-JTQLQIEISA-N -1 0 301.364 2.411 20 10 DECDRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001588937422 984615979 /nfs/dbraw/zinc/61/59/79/984615979.db2.gz GORPYBPRCMVPSM-WONIAPNHSA-N -1 0 323.352 2.485 20 10 DECDRM COc1nsc(CN2Cc3cccc(O)c3C2)c1C(=O)[O-] ZINC001599740408 991843517 /nfs/dbraw/zinc/84/35/17/991843517.db2.gz RQFNKQDRRVNAAG-UHFFFAOYSA-N -1 0 306.343 2.071 20 10 DECDRM C[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593084585 993688543 /nfs/dbraw/zinc/68/85/43/993688543.db2.gz TTZHDJBDPMGCEX-RISCZKNCSA-N -1 0 317.389 2.286 20 10 DECDRM CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604053414 1070187061 /nfs/dbraw/zinc/18/70/61/1070187061.db2.gz CBPOHHFDMOHHFA-SMDDNHRTSA-N -1 0 319.409 2.022 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=S)NCCCC(=O)[O-] ZINC001605457073 1070720603 /nfs/dbraw/zinc/72/06/03/1070720603.db2.gz XJLZWZKFYVXFPV-UHFFFAOYSA-N -1 0 323.462 2.314 20 10 DECDRM CN(C)c1ccc(OCc2cccnc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001606060409 1071032461 /nfs/dbraw/zinc/03/24/61/1071032461.db2.gz JCQSHYRNXGBNQH-UHFFFAOYSA-N -1 0 317.301 2.333 20 10 DECDRM COC(=O)c1cnc(SCc2cccc(C(=O)[O-])n2)s1 ZINC001606628360 1071178692 /nfs/dbraw/zinc/17/86/92/1071178692.db2.gz MQJRNVLLSHNSMG-UHFFFAOYSA-N -1 0 310.356 2.315 20 10 DECDRM COCc1noc([C@H](C)Sc2ncc(C(=O)[O-])s2)n1 ZINC001606981972 1071266696 /nfs/dbraw/zinc/26/66/96/1071266696.db2.gz SBRYMOQKWKZBHT-YFKPBYRVSA-N -1 0 301.349 2.224 20 10 DECDRM Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(C(=O)[O-])c1 ZINC001607679315 1071523444 /nfs/dbraw/zinc/52/34/44/1071523444.db2.gz JSWVNHIIEMFVLB-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM CCOC(=O)C(CC)(CC)CNC(=O)c1cccc(O)c1O ZINC001454522748 1057520152 /nfs/dbraw/zinc/52/01/52/1057520152.db2.gz UHGKPSOQZYTHED-UHFFFAOYSA-N -1 0 309.362 2.197 20 10 DECDRM CN(C)Cc1csc(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001457857909 1058034485 /nfs/dbraw/zinc/03/44/85/1058034485.db2.gz YRTLIZAEPKBEKO-UHFFFAOYSA-N -1 0 311.338 2.007 20 10 DECDRM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610763463 1078073327 /nfs/dbraw/zinc/07/33/27/1078073327.db2.gz QUKHGQZFSLXJMM-SNVBAGLBSA-N -1 0 314.725 2.393 20 10 DECDRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001610830261 1078083147 /nfs/dbraw/zinc/08/31/47/1078083147.db2.gz JCYHPHHZQZUSFE-UHFFFAOYSA-N -1 0 321.716 2.379 20 10 DECDRM CC1(C)C[C@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC001520182284 1069104843 /nfs/dbraw/zinc/10/48/43/1069104843.db2.gz USCDUQDIMMKHQU-GFCCVEGCSA-N -1 0 321.373 2.011 20 10 DECDRM Cn1c(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1C(=O)[O-] ZINC001600912325 1077301251 /nfs/dbraw/zinc/30/12/51/1077301251.db2.gz QEPFMQQJLAWYHC-XFXZXTDPSA-N -1 0 319.386 2.180 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC001601239297 1077364140 /nfs/dbraw/zinc/36/41/40/1077364140.db2.gz WOQWYSCCXVZGON-KXFIGUGUSA-N -1 0 319.338 2.187 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)C2=CC(=O)CS2)nc1C1CC1 ZINC001601533523 1077408286 /nfs/dbraw/zinc/40/82/86/1077408286.db2.gz TVCHNGVXQYPLSA-UHFFFAOYSA-N -1 0 318.354 2.354 20 10 DECDRM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cccc(Br)c1[O-] ZINC001601639052 1077423150 /nfs/dbraw/zinc/42/31/50/1077423150.db2.gz GBEDTQJNORMTDK-QMMMGPOBSA-N -1 0 324.121 2.353 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)NCc1ccco1 ZINC001609804270 1077927269 /nfs/dbraw/zinc/92/72/69/1077927269.db2.gz CJFMXWXNHYRFGZ-ZETCQYMHSA-N -1 0 312.372 2.231 20 10 DECDRM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001141367924 1083386664 /nfs/dbraw/zinc/38/66/64/1083386664.db2.gz XENIPIYXXIEPKB-VHSXEESVSA-N -1 0 324.577 2.323 20 10 DECDRM [O-]c1c(F)c(F)ccc1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001276857093 1083649553 /nfs/dbraw/zinc/64/95/53/1083649553.db2.gz VHCSHNSYNKHTMV-UHFFFAOYSA-N -1 0 319.355 2.459 20 10 DECDRM O=C1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1F ZINC001235069408 1084299273 /nfs/dbraw/zinc/29/92/73/1084299273.db2.gz SSYGEFSIQLHMRW-JTQLQIEISA-N -1 0 320.133 2.407 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC001351743308 1151605340 /nfs/dbraw/zinc/60/53/40/1151605340.db2.gz WJKJJZPMOVXVOA-WDEREUQCSA-N -1 0 320.172 2.421 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275306136 1091661117 /nfs/dbraw/zinc/66/11/17/1091661117.db2.gz AYCAGQBVCXQCAJ-UHFFFAOYSA-N -1 0 319.355 2.316 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)n2nc(CO)cc2[O-])cc1 ZINC001245926549 1140832810 /nfs/dbraw/zinc/83/28/10/1140832810.db2.gz XIXRSWASDIZASW-UHFFFAOYSA-N -1 0 311.341 2.177 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1Br)C(F)(F)F ZINC001252355341 1142693138 /nfs/dbraw/zinc/69/31/38/1142693138.db2.gz OPNIYPUVDGJJMA-UHFFFAOYSA-N -1 0 320.086 2.416 20 10 DECDRM C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)[O-])cc2Cl)C1 ZINC000290590293 131501976 /nfs/dbraw/zinc/50/19/76/131501976.db2.gz UGVLZUWJRPZFQU-JTQLQIEISA-N -1 0 310.781 2.277 20 10 DECDRM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@]12CCOC2 ZINC000195014649 402826719 /nfs/dbraw/zinc/82/67/19/402826719.db2.gz HYPRHYQTOITUDD-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCO1 ZINC000281166998 403059855 /nfs/dbraw/zinc/05/98/55/403059855.db2.gz GOVBVZLSAMKQAT-GFCCVEGCSA-N -1 0 310.350 2.310 20 10 DECDRM COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)C(C)C ZINC000293029604 403387704 /nfs/dbraw/zinc/38/77/04/403387704.db2.gz WADHUOXMVJFWNL-AWEZNQCLSA-N -1 0 315.797 2.038 20 10 DECDRM Cc1c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cnn1C ZINC000292007300 404623997 /nfs/dbraw/zinc/62/39/97/404623997.db2.gz YGSKFXQUUTXVGU-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818475436 597300976 /nfs/dbraw/zinc/30/09/76/597300976.db2.gz DEXAZWKNXYPSTN-UHFFFAOYSA-N -1 0 314.341 2.432 20 10 DECDRM Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000820949371 597713655 /nfs/dbraw/zinc/71/36/55/597713655.db2.gz TYSNULREKABKLH-MRVPVSSYSA-N -1 0 302.168 2.368 20 10 DECDRM COc1ccc(CNC(=O)C2=CC(=O)CS2)cc1C(=O)[O-] ZINC000738003043 600166256 /nfs/dbraw/zinc/16/62/56/600166256.db2.gz CLAWBSAIWZEYBV-UHFFFAOYSA-N -1 0 307.327 2.091 20 10 DECDRM Cc1cc(C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccccn1 ZINC000738331181 600789530 /nfs/dbraw/zinc/78/95/30/600789530.db2.gz GJVPMXSJYDIPDL-UHFFFAOYSA-N -1 0 315.373 2.472 20 10 DECDRM C[C@@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000210024467 602099799 /nfs/dbraw/zinc/09/97/99/602099799.db2.gz UENOWBMPALYWLF-XNYAHFKXSA-N -1 0 323.395 2.370 20 10 DECDRM O=C([O-])NC[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000832409033 603539181 /nfs/dbraw/zinc/53/91/81/603539181.db2.gz XHNNWDALNZWZBA-CQSZACIVSA-N -1 0 314.341 2.060 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830073309 603623618 /nfs/dbraw/zinc/62/36/18/603623618.db2.gz PXPNAGOHQQRRFL-JSGCOSHPSA-N -1 0 319.405 2.114 20 10 DECDRM C[C@H](NC(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825170893 603630303 /nfs/dbraw/zinc/63/03/03/603630303.db2.gz FHKKYCJKGWKWIU-NSHDSACASA-N -1 0 318.329 2.170 20 10 DECDRM CCC(CC)(CNC(=O)NCc1ccccc1O)NC(=O)[O-] ZINC000826532018 604078934 /nfs/dbraw/zinc/07/89/34/604078934.db2.gz DJZAGXXUISCSKX-UHFFFAOYSA-N -1 0 309.366 2.018 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186422999 634412826 /nfs/dbraw/zinc/41/28/26/634412826.db2.gz KDZOYKJGSJDQAO-QMMMGPOBSA-N -1 0 323.295 2.443 20 10 DECDRM COCc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000742345886 638061307 /nfs/dbraw/zinc/06/13/07/638061307.db2.gz DPTTUEYFDUJMKP-IZZDOVSWSA-N -1 0 323.395 2.119 20 10 DECDRM CN(C)c1ccc(CNC(=O)NCCCCCC(=O)[O-])cc1 ZINC000840983655 650399931 /nfs/dbraw/zinc/39/99/31/650399931.db2.gz KBSDVIOZDBTUHI-UHFFFAOYSA-N -1 0 307.394 2.197 20 10 DECDRM O=C([O-])c1cccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756299049 639645431 /nfs/dbraw/zinc/64/54/31/639645431.db2.gz OKFQLSCHZQCKIC-UHFFFAOYSA-N -1 0 316.313 2.331 20 10 DECDRM CCN(CC(=O)OC)Cc1cccc(Br)c1[O-] ZINC000769316113 641216214 /nfs/dbraw/zinc/21/62/14/641216214.db2.gz HCZFNUFRHWIAOY-UHFFFAOYSA-N -1 0 302.168 2.150 20 10 DECDRM CCC[C@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000776434901 642172735 /nfs/dbraw/zinc/17/27/35/642172735.db2.gz PWTYRKNWDKGTSX-VIFPVBQESA-N -1 0 301.364 2.268 20 10 DECDRM O=C(NCc1c(O)cccc1F)N[C@@H]1CCCn2nccc21 ZINC000923946639 642195439 /nfs/dbraw/zinc/19/54/39/642195439.db2.gz AHMRTCRIFKTUIT-GFCCVEGCSA-N -1 0 304.325 2.062 20 10 DECDRM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1c(F)ccc(O)c1[O-] ZINC000789954894 643794432 /nfs/dbraw/zinc/79/44/32/643794432.db2.gz PDJPARUXUOEDSP-UHFFFAOYSA-N -1 0 304.233 2.336 20 10 DECDRM COC(=O)[C@H](CC(F)F)NCc1c([O-])ccc(Cl)c1F ZINC000792180256 644085284 /nfs/dbraw/zinc/08/52/84/644085284.db2.gz OYTJPXBNMFLPSB-QMMMGPOBSA-N -1 0 311.687 2.471 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1cccc(Br)c1[O-] ZINC000793324103 644235170 /nfs/dbraw/zinc/23/51/70/644235170.db2.gz HUUHPNNDCNLJJV-MRVPVSSYSA-N -1 0 302.168 2.148 20 10 DECDRM CO[C@@H]1CC[C@@H]1N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910389247 645437227 /nfs/dbraw/zinc/43/72/27/645437227.db2.gz SIIJEUJEYQGYTE-HKGVJKBXSA-N -1 0 306.318 2.306 20 10 DECDRM Cn1cc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000807839719 645995079 /nfs/dbraw/zinc/99/50/79/645995079.db2.gz KJGSELUANZNAHU-UHFFFAOYSA-N -1 0 314.172 2.291 20 10 DECDRM O=C(CC1OCCCO1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838246 645996112 /nfs/dbraw/zinc/99/61/12/645996112.db2.gz MDDMMRXBCAQRRV-UHFFFAOYSA-N -1 0 320.172 2.468 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000164782778 646465459 /nfs/dbraw/zinc/46/54/59/646465459.db2.gz AXNHVMZJHQGMTC-UHFFFAOYSA-N -1 0 313.766 2.132 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc(CO)cn2)c1[O-] ZINC000811501302 646537068 /nfs/dbraw/zinc/53/70/68/646537068.db2.gz IYYKYZVTMUSITC-UHFFFAOYSA-N -1 0 309.709 2.453 20 10 DECDRM O=C1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000816498878 647142865 /nfs/dbraw/zinc/14/28/65/647142865.db2.gz SQVJNCRXEFOLQU-QWHCGFSZSA-N -1 0 312.772 2.428 20 10 DECDRM CN1CC2(CN(Cc3cc(Cl)cc(Cl)c3[O-])C2)OC1=O ZINC000817414401 647289209 /nfs/dbraw/zinc/28/92/09/647289209.db2.gz YEFDZOFZGNJVND-UHFFFAOYSA-N -1 0 317.172 2.335 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000818623593 647491024 /nfs/dbraw/zinc/49/10/24/647491024.db2.gz IIUQZUWPEDWLKV-SNVBAGLBSA-N -1 0 324.377 2.262 20 10 DECDRM O=C1N[C@H](c2cc(Cl)cc(Cl)c2[O-])N2CCSC[C@@H]12 ZINC000765508773 647610196 /nfs/dbraw/zinc/61/01/96/647610196.db2.gz MHRNRKDRHPWOCA-ONGXEEELSA-N -1 0 319.213 2.245 20 10 DECDRM COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825158734 648714055 /nfs/dbraw/zinc/71/40/55/648714055.db2.gz XTAUADIFZOISLA-CQSZACIVSA-N -1 0 303.761 2.016 20 10 DECDRM C[C@@H]1[C@@H](CO)CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210192 651092986 /nfs/dbraw/zinc/09/29/86/651092986.db2.gz RHDPUIZPFGFTPF-HHQZKXIDSA-N -1 0 320.345 2.290 20 10 DECDRM O=C([O-])COCCN1CCCc2cc(OC(F)F)ccc21 ZINC000846239850 651317455 /nfs/dbraw/zinc/31/74/55/651317455.db2.gz KEJSEPXKFAPBAD-UHFFFAOYSA-N -1 0 301.289 2.142 20 10 DECDRM CC1=NO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000854473837 651486661 /nfs/dbraw/zinc/48/66/61/651486661.db2.gz GHHWMRINWCKNIJ-JTQLQIEISA-N -1 0 303.145 2.480 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc21 ZINC000852945889 652482600 /nfs/dbraw/zinc/48/26/00/652482600.db2.gz JUFBXHZNKSGYAQ-OAHLLOKOSA-N -1 0 318.417 2.432 20 10 DECDRM COC1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000386540593 685418136 /nfs/dbraw/zinc/41/81/36/685418136.db2.gz JGJFPBFVEIBSBL-HYXAFXHYSA-N -1 0 306.318 2.308 20 10 DECDRM CCN(C(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)C(=O)[O-] ZINC000929015084 693875034 /nfs/dbraw/zinc/87/50/34/693875034.db2.gz WCIMYFCBMJNDKS-UHFFFAOYSA-N -1 0 321.421 2.456 20 10 DECDRM CC(C)[C@H](NC=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000861728098 686174176 /nfs/dbraw/zinc/17/41/76/686174176.db2.gz CEXWBWLFLYPABB-NSHDSACASA-N -1 0 319.188 2.086 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000872354141 688986753 /nfs/dbraw/zinc/98/67/53/688986753.db2.gz WUEXXDNQUXWGNZ-UHFFFAOYSA-N -1 0 321.402 2.114 20 10 DECDRM COc1ccc2c(c1)CCCCN2Cc1cc(C(=O)[O-])nn1C ZINC000874041594 689344483 /nfs/dbraw/zinc/34/44/83/689344483.db2.gz AMOLOCYBIKHPNX-UHFFFAOYSA-N -1 0 315.373 2.470 20 10 DECDRM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000874043168 689344860 /nfs/dbraw/zinc/34/48/60/689344860.db2.gz OWRMBPISFCOZFC-CQSZACIVSA-N -1 0 317.744 2.108 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000874386064 689397216 /nfs/dbraw/zinc/39/72/16/689397216.db2.gz GNLUCLIMGYHNQG-OKILXGFUSA-N -1 0 319.405 2.195 20 10 DECDRM O=C1CN(Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2[O-])N1 ZINC000877855736 690249297 /nfs/dbraw/zinc/24/92/97/690249297.db2.gz UMOPXBYLTFIFOU-INIZCTEOSA-N -1 0 304.296 2.301 20 10 DECDRM CCN(CC)c1ccc(C[NH2+]C[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC001331997245 1149805415 /nfs/dbraw/zinc/80/54/15/1149805415.db2.gz BOECUBNNNFTFIH-QGZVFWFLSA-N -1 0 322.405 2.188 20 10 DECDRM O=C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298583 790848934 /nfs/dbraw/zinc/84/89/34/790848934.db2.gz GYNXWOPXZAOHQZ-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM O=C(c1ccco1)N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580050 796541088 /nfs/dbraw/zinc/54/10/88/796541088.db2.gz PQOXSSVKHIUGKY-UHFFFAOYSA-N -1 0 322.311 2.221 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192896903 797467624 /nfs/dbraw/zinc/46/76/24/797467624.db2.gz FFLFYZRXLUFGNI-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM Cc1nc2c([nH]1)CCN(C(=O)c1cc(O)c([O-])c(Cl)c1)CC2 ZINC001193605160 797601863 /nfs/dbraw/zinc/60/18/63/797601863.db2.gz CIIIEJXUWQSDAZ-UHFFFAOYSA-N -1 0 321.764 2.024 20 10 DECDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001196991519 798134588 /nfs/dbraw/zinc/13/45/88/798134588.db2.gz QEZMRUQXCFJWJY-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM O=C1c2ccc(O[C@H]3C[C@@H](O)C3)cc2C(=O)c2ccc([O-])cc21 ZINC001218417154 802180314 /nfs/dbraw/zinc/18/03/14/802180314.db2.gz HYMBKWVTUGNKMH-KLPPZKSPSA-N -1 0 310.305 2.070 20 10 DECDRM CO[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000193111360 802439708 /nfs/dbraw/zinc/43/97/08/802439708.db2.gz NDELKBFRABKNNM-CQSZACIVSA-N -1 0 305.305 2.354 20 10 DECDRM C[C@H](C[N@H+](C)Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC000715778990 955118358 /nfs/dbraw/zinc/11/83/58/955118358.db2.gz LWLOBPWRWOETBA-SSDOTTSWSA-N -1 0 320.158 2.446 20 10 DECDRM C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(N(C)C)cc1 ZINC001589089655 955924611 /nfs/dbraw/zinc/92/46/11/955924611.db2.gz JEBUFYMNTKEEDK-LBPRGKRZSA-N -1 0 302.374 2.351 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cccc(O)c2O)c1 ZINC001594286133 957779748 /nfs/dbraw/zinc/77/97/48/957779748.db2.gz NMZDIJAZMOVEDX-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM CC[C@H](CNC(=O)NCc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC001521217882 969789008 /nfs/dbraw/zinc/78/90/08/969789008.db2.gz WQRBABBAOGRTPS-CQSZACIVSA-N -1 0 321.421 2.443 20 10 DECDRM CCC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001595553395 981429222 /nfs/dbraw/zinc/42/92/22/981429222.db2.gz JDGFRIHNIAFNRF-AWEZNQCLSA-N -1 0 306.322 2.222 20 10 DECDRM C[C@H]1CC[C@@](NC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)[O-])CC1 ZINC001599907715 984944929 /nfs/dbraw/zinc/94/49/29/984944929.db2.gz BSMSDTUIUHMXPN-LYWVEXKLSA-N -1 0 319.357 2.261 20 10 DECDRM CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1(C(=O)[O-])CCCCC1 ZINC001598006151 990157630 /nfs/dbraw/zinc/15/76/30/990157630.db2.gz JSWXWOQWHGWJDM-VURMDHGXSA-N -1 0 319.357 2.357 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1ncc(C(=O)[O-])s1 ZINC001598333941 991376779 /nfs/dbraw/zinc/37/67/79/991376779.db2.gz TXGBHGGLRQDYNS-UHFFFAOYSA-N -1 0 319.386 2.306 20 10 DECDRM C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598507537 992526304 /nfs/dbraw/zinc/52/63/04/992526304.db2.gz OJQFWHFZXBXZIP-ZDUSSCGKSA-N -1 0 315.316 2.125 20 10 DECDRM COc1ccc([C@@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])cc1O ZINC001599530376 997638896 /nfs/dbraw/zinc/63/88/96/997638896.db2.gz BDYMTUNDWSIPHB-CQSZACIVSA-N -1 0 321.304 2.161 20 10 DECDRM COc1c([O-])c(C[NH2+]C2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001599345890 998004670 /nfs/dbraw/zinc/00/46/70/998004670.db2.gz RTOBGXRDGLHRQP-UHFFFAOYSA-N -1 0 324.333 2.042 20 10 DECDRM O=C([O-])C1=S=C(C(=O)Nc2ccc(-c3ccon3)cc2)C=C1 ZINC001602324560 1069605553 /nfs/dbraw/zinc/60/55/53/1069605553.db2.gz XGOILHWNOIVOPI-UHFFFAOYSA-N -1 0 314.322 2.013 20 10 DECDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001602623518 1069706410 /nfs/dbraw/zinc/70/64/10/1069706410.db2.gz CSLKNNQLQRPMNE-UHFFFAOYSA-N -1 0 319.338 2.002 20 10 DECDRM Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC(C(=O)[O-])=NO1 ZINC001610594520 1078048417 /nfs/dbraw/zinc/04/84/17/1078048417.db2.gz PBZZOCFTODRUHM-NSHDSACASA-N -1 0 317.370 2.409 20 10 DECDRM O=C([O-])c1ccc(COC(=O)c2cccc(O)c2O)c(F)c1 ZINC001610829315 1078083090 /nfs/dbraw/zinc/08/30/90/1078083090.db2.gz ZYIGFOJQCNPTKZ-UHFFFAOYSA-N -1 0 306.245 2.292 20 10 DECDRM O=C(NCc1ccc(O)c(O)c1)c1ccc2oc(=S)[n-]c2c1 ZINC001622643363 1078192107 /nfs/dbraw/zinc/19/21/07/1078192107.db2.gz MUIKTUKPQZDVNL-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C(=O)[O-])[nH]1 ZINC001600255726 1077169810 /nfs/dbraw/zinc/16/98/10/1077169810.db2.gz RHAAFCSNKKKPNS-HYXAFXHYSA-N -1 0 302.286 2.084 20 10 DECDRM Cn1cc(NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])cn1 ZINC001600966612 1077313201 /nfs/dbraw/zinc/31/32/01/1077313201.db2.gz QHYGNSVGLWFLKK-UHFFFAOYSA-N -1 0 302.309 2.361 20 10 DECDRM O=C([O-])c1ccccc1CCC(=O)NCc1c(O)cccc1F ZINC001601291185 1077373056 /nfs/dbraw/zinc/37/30/56/1077373056.db2.gz FSLVWLRGHGPHJU-UHFFFAOYSA-N -1 0 317.316 2.479 20 10 DECDRM O=C([O-])c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001608873411 1077710884 /nfs/dbraw/zinc/71/08/84/1077710884.db2.gz HFJONGABIFHQFO-UHFFFAOYSA-N -1 0 301.273 2.386 20 10 DECDRM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccn(C)n2)cc1 ZINC001609999546 1077965213 /nfs/dbraw/zinc/96/52/13/1077965213.db2.gz YMTVRNNUFXQLJY-MRXNPFEDSA-N -1 0 316.405 2.182 20 10 DECDRM COc1cccc(CNC(C)(C)c2nocc2C(=O)[O-])c1O ZINC001610357216 1078007871 /nfs/dbraw/zinc/00/78/71/1078007871.db2.gz DYEGTEHXZURWLQ-UHFFFAOYSA-N -1 0 306.318 2.112 20 10 DECDRM CCC(=O)N1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236802508 1079969589 /nfs/dbraw/zinc/96/95/89/1079969589.db2.gz RFCMAIQEJXOTTK-UHFFFAOYSA-N -1 0 312.797 2.108 20 10 DECDRM Cn1ncc2cc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)ccc21 ZINC001212566274 1086560852 /nfs/dbraw/zinc/56/08/52/1086560852.db2.gz LYTMXGSLUXOMEY-UHFFFAOYSA-N -1 0 309.285 2.097 20 10 DECDRM COc1ccc(CN2CCN(C(C)=O)C[C@@H]2C)c([O-])c1Cl ZINC001236805628 1138434009 /nfs/dbraw/zinc/43/40/09/1138434009.db2.gz CUTUYRXRRPPTSF-JTQLQIEISA-N -1 0 312.797 2.107 20 10 DECDRM COc1ccc(CN2CCN(C(C)=O)[C@@H](C)C2)c([O-])c1Cl ZINC001236807104 1138434532 /nfs/dbraw/zinc/43/45/32/1138434532.db2.gz MOAGAIXRIZDDCT-JTQLQIEISA-N -1 0 312.797 2.107 20 10 DECDRM COc1ccc(CN(CCO)CC(F)(F)F)c([O-])c1Cl ZINC001236807488 1138435006 /nfs/dbraw/zinc/43/50/06/1138435006.db2.gz PRDBCYPJSDDFEQ-UHFFFAOYSA-N -1 0 313.703 2.411 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069116 1144062491 /nfs/dbraw/zinc/06/24/91/1144062491.db2.gz KQBCMEAVBXWUPE-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1OC ZINC001259300845 1144086504 /nfs/dbraw/zinc/08/65/04/1144086504.db2.gz BIDDCQMJYSIRTM-UHFFFAOYSA-N -1 0 309.343 2.210 20 10 DECDRM O=S(=O)([N-]c1nc(-c2ccncc2)cs1)c1cccnc1 ZINC001259601162 1144111577 /nfs/dbraw/zinc/11/15/77/1144111577.db2.gz KFTYNVOEPFFOBE-UHFFFAOYSA-N -1 0 318.383 2.401 20 10 DECDRM COCC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001329689390 1148971172 /nfs/dbraw/zinc/97/11/72/1148971172.db2.gz GZNGFOGYIMGJAD-JTQLQIEISA-N -1 0 308.161 2.278 20 10 DECDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000288373383 131322201 /nfs/dbraw/zinc/32/22/01/131322201.db2.gz YTOFFXUDRRYMSQ-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM O=S1(=O)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000219780983 402299637 /nfs/dbraw/zinc/29/96/37/402299637.db2.gz CUGQTSVMUZYVGB-UHFFFAOYSA-N -1 0 324.229 2.320 20 10 DECDRM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)S1(=O)=O ZINC000289789181 403998403 /nfs/dbraw/zinc/99/84/03/403998403.db2.gz LUWZVOXTLQLYJV-JQWIXIFHSA-N -1 0 317.838 2.443 20 10 DECDRM O=C1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN12 ZINC000378345997 404935686 /nfs/dbraw/zinc/93/56/86/404935686.db2.gz OPPVMDPLJJYNIN-JTQLQIEISA-N -1 0 317.172 2.335 20 10 DECDRM O=C(NC1CC1)[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191241102 225107319 /nfs/dbraw/zinc/10/73/19/225107319.db2.gz ZQIMGOUPEHHZHN-GFCCVEGCSA-N -1 0 312.772 2.428 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000189423427 520769378 /nfs/dbraw/zinc/76/93/78/520769378.db2.gz WHXFOYFDEUIMAM-UHFFFAOYSA-N -1 0 312.347 2.197 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N(C)CCC(=O)[O-])cc1 ZINC000818197420 596991703 /nfs/dbraw/zinc/99/17/03/596991703.db2.gz QDYMLKCDRYUHFG-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM O=C([O-])CSCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000740485267 597098579 /nfs/dbraw/zinc/09/85/79/597098579.db2.gz FFGBRPSSZAEIHK-UHFFFAOYSA-N -1 0 322.430 2.111 20 10 DECDRM CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)[O-] ZINC000820419159 597708183 /nfs/dbraw/zinc/70/81/83/597708183.db2.gz NFOWDKHDSROIOJ-SNVBAGLBSA-N -1 0 302.168 2.416 20 10 DECDRM Cc1[nH]c(C(=O)CN(C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC000738155280 600314474 /nfs/dbraw/zinc/31/44/74/600314474.db2.gz ZTTVVKUYNLJYIH-UHFFFAOYSA-N -1 0 316.357 2.350 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000738229834 600497788 /nfs/dbraw/zinc/49/77/88/600497788.db2.gz IGGWOUSPGRSFJO-CQSZACIVSA-N -1 0 319.405 2.067 20 10 DECDRM CC[C@H]1COCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000314216180 600626104 /nfs/dbraw/zinc/62/61/04/600626104.db2.gz AQYGVBLZLFJNJF-FUEXJSSKSA-N -1 0 306.318 2.308 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)CC2CCC2)NC(=O)[O-])cc1 ZINC000828064827 603028364 /nfs/dbraw/zinc/02/83/64/603028364.db2.gz ZKHHKXRWPHVRFQ-OAHLLOKOSA-N -1 0 319.405 2.368 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738044234 603141621 /nfs/dbraw/zinc/14/16/21/603141621.db2.gz LDPNDLZKGHPCHE-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CC(C)[C@@H](CCN(C)C(=O)C1=CC(=O)CS1)NC(=O)[O-] ZINC000824091480 603607571 /nfs/dbraw/zinc/60/75/71/603607571.db2.gz FHDBXCKRALZTLL-SNVBAGLBSA-N -1 0 300.380 2.208 20 10 DECDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000824863555 604225492 /nfs/dbraw/zinc/22/54/92/604225492.db2.gz WWLIPTBJLANULP-NSHDSACASA-N -1 0 320.389 2.133 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000827052279 604422709 /nfs/dbraw/zinc/42/27/09/604422709.db2.gz PYCZPOFUDGIWQQ-UHFFFAOYSA-N -1 0 319.405 2.291 20 10 DECDRM Cc1oc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC000833027222 604765015 /nfs/dbraw/zinc/76/50/15/604765015.db2.gz PTXWIDXQSRCHCR-HYXAFXHYSA-N -1 0 318.281 2.454 20 10 DECDRM CC(C)Cc1noc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000833494436 605434488 /nfs/dbraw/zinc/43/44/88/605434488.db2.gz RCVDWCLGEGEJSN-UHFFFAOYSA-N -1 0 319.361 2.368 20 10 DECDRM O=C([O-])N1[C@H](C(=O)NCc2ccccc2O)C[C@H]2CCCC[C@@H]21 ZINC000831718760 605827639 /nfs/dbraw/zinc/82/76/39/605827639.db2.gz CGYQCXGBFSAWBL-XBFCOCLRSA-N -1 0 318.373 2.320 20 10 DECDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000833830224 606074369 /nfs/dbraw/zinc/07/43/69/606074369.db2.gz MHVASDCLGLVUGZ-MLGOLLRUSA-N -1 0 306.362 2.225 20 10 DECDRM C[C@H](C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000318519581 635630536 /nfs/dbraw/zinc/63/05/36/635630536.db2.gz VYHLMEZHMFKZBM-ZDUSSCGKSA-N -1 0 304.390 2.356 20 10 DECDRM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894095544 636111131 /nfs/dbraw/zinc/11/11/31/636111131.db2.gz RUYVTEVGJRZKJA-ZDUSSCGKSA-N -1 0 317.332 2.069 20 10 DECDRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894531803 637092707 /nfs/dbraw/zinc/09/27/07/637092707.db2.gz DIMTVRZUYRTFMJ-BHYNMZESSA-N -1 0 311.328 2.444 20 10 DECDRM COCc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000742347209 638060744 /nfs/dbraw/zinc/06/07/44/638060744.db2.gz VQQGXWVRNXUPJG-WDZFZDKYSA-N -1 0 323.395 2.119 20 10 DECDRM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000895861603 638228083 /nfs/dbraw/zinc/22/80/83/638228083.db2.gz FKFPCQWVIBVWKG-WCQYABFASA-N -1 0 313.781 2.246 20 10 DECDRM CO[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1 ZINC000895964200 638286599 /nfs/dbraw/zinc/28/65/99/638286599.db2.gz UPWGQBACGZJZKA-LLVKDONJSA-N -1 0 320.158 2.099 20 10 DECDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000755986283 639611610 /nfs/dbraw/zinc/61/16/10/639611610.db2.gz QQUNLDRYCHECMM-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM O=C([O-])Cc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000756303411 639645594 /nfs/dbraw/zinc/64/55/94/639645594.db2.gz VHWSBQCILRGGHJ-UHFFFAOYSA-N -1 0 316.313 2.217 20 10 DECDRM Cc1noc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000729683984 640825849 /nfs/dbraw/zinc/82/58/49/640825849.db2.gz IUWGKESPCPISFG-LURJTMIESA-N -1 0 312.713 2.496 20 10 DECDRM COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cnc1Cl ZINC000767438023 640978769 /nfs/dbraw/zinc/97/87/69/640978769.db2.gz BPDWZYQCHLVLRA-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000769452484 641242085 /nfs/dbraw/zinc/24/20/85/641242085.db2.gz ZZKOEYGIXIMFEC-UHFFFAOYSA-N -1 0 315.373 2.426 20 10 DECDRM CCCN(CCC)S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000775289499 642024251 /nfs/dbraw/zinc/02/42/51/642024251.db2.gz VKMKTWMHSMYYIY-UHFFFAOYSA-N -1 0 317.367 2.079 20 10 DECDRM Cc1ccccc1CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000776434955 642172759 /nfs/dbraw/zinc/17/27/59/642172759.db2.gz SNQUXQOTLGFRQY-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cnc3n2CCCC3)ccc1O ZINC000901907815 642829806 /nfs/dbraw/zinc/82/98/06/642829806.db2.gz WYMJCDXXYDBFGO-UHFFFAOYSA-N -1 0 307.375 2.034 20 10 DECDRM O=C(c1c(F)ccc(O)c1[O-])N1CCn2c3ccccc3nc21 ZINC000789954754 643793970 /nfs/dbraw/zinc/79/39/70/643793970.db2.gz KYMMUGONANGKNT-UHFFFAOYSA-N -1 0 313.288 2.247 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000790418048 643849916 /nfs/dbraw/zinc/84/99/16/643849916.db2.gz QXEURJKHWWUTQR-UHFFFAOYSA-N -1 0 315.782 2.142 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000843037289 650873416 /nfs/dbraw/zinc/87/34/16/650873416.db2.gz WIDAUDURSBZORA-ZJUUUORDSA-N -1 0 324.333 2.159 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843038288 650873893 /nfs/dbraw/zinc/87/38/93/650873893.db2.gz GCMOUKNAVGHVEH-XCBNKYQSSA-N -1 0 314.725 2.297 20 10 DECDRM O=c1cc2c(n[nH]1)CCN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000792173828 644084597 /nfs/dbraw/zinc/08/45/97/644084597.db2.gz DGKOIVJHHZYVBT-UHFFFAOYSA-N -1 0 309.728 2.239 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911118869 645635941 /nfs/dbraw/zinc/63/59/41/645635941.db2.gz QKJOSFYFROPTRR-UHFFFAOYSA-N -1 0 316.401 2.356 20 10 DECDRM O=C([O-])C12CC(C(=O)NCc3ccc(N4CCCC4)cc3)(C1)C2 ZINC000911221439 645654923 /nfs/dbraw/zinc/65/49/23/645654923.db2.gz CRXAHBJMMHFMFL-UHFFFAOYSA-N -1 0 314.385 2.158 20 10 DECDRM CO[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)C1CCCC1 ZINC000911494206 645723180 /nfs/dbraw/zinc/72/31/80/645723180.db2.gz TUKGNGKAUHFOLE-MRXNPFEDSA-N -1 0 321.373 2.011 20 10 DECDRM Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000807839295 645996042 /nfs/dbraw/zinc/99/60/42/645996042.db2.gz BFWDPNIXSOMFSW-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000163784328 646401604 /nfs/dbraw/zinc/40/16/04/646401604.db2.gz BEQMLJMXOHYKRJ-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)S1(=O)=O ZINC000811518939 646538416 /nfs/dbraw/zinc/53/84/16/646538416.db2.gz SMZNAQBPKWJRHQ-DTORHVGOSA-N -1 0 321.801 2.192 20 10 DECDRM Cc1nnc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000813682819 646799266 /nfs/dbraw/zinc/79/92/66/646799266.db2.gz LAXQLJFLEBNTLY-UHFFFAOYSA-N -1 0 316.144 2.249 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C(N)=O)C1 ZINC000816574904 647154338 /nfs/dbraw/zinc/15/43/38/647154338.db2.gz WCXJRYMSYULXHF-PRHODGIISA-N -1 0 300.761 2.271 20 10 DECDRM CCn1nncc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000816682424 647168870 /nfs/dbraw/zinc/16/88/70/647168870.db2.gz XLDPGBUDKJGJJT-UHFFFAOYSA-N -1 0 315.160 2.240 20 10 DECDRM CCS(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C ZINC000732603742 647630500 /nfs/dbraw/zinc/63/05/00/647630500.db2.gz BJGGDXRQBRNWNH-UHFFFAOYSA-N -1 0 312.416 2.235 20 10 DECDRM CC(C)CN1CC(=O)N[C@H]1c1cccc(Br)c1[O-] ZINC000917506466 648007146 /nfs/dbraw/zinc/00/71/46/648007146.db2.gz ZNTUZPALIJRBSA-CYBMUJFWSA-N -1 0 313.195 2.241 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000852952261 652483882 /nfs/dbraw/zinc/48/38/82/652483882.db2.gz KMZLWYSXIRLMSI-QGZVFWFLSA-N -1 0 304.390 2.178 20 10 DECDRM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013463980 683846615 /nfs/dbraw/zinc/84/66/15/683846615.db2.gz SHIPILPFYOZWOA-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1O ZINC000013464090 683847164 /nfs/dbraw/zinc/84/71/64/683847164.db2.gz WIVUZRFTYZJIQO-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000018215524 683857010 /nfs/dbraw/zinc/85/70/10/683857010.db2.gz HZYATSPGTFCJMI-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)S1(=O)=O ZINC000877521883 690139207 /nfs/dbraw/zinc/13/92/07/690139207.db2.gz KCERESQMURLHJA-MWLCHTKSSA-N -1 0 319.373 2.068 20 10 DECDRM O=C1N[C@@H](c2ccc(F)c(F)c2[O-])N2CCc3ccccc3[C@H]12 ZINC000877857493 690249468 /nfs/dbraw/zinc/24/94/68/690249468.db2.gz SILNPVSQZRNLCT-GDBMZVCRSA-N -1 0 316.307 2.398 20 10 DECDRM COC(=O)[C@H](C)N(C)Cc1cc(Br)c(F)cc1[O-] ZINC001144306902 790855008 /nfs/dbraw/zinc/85/50/08/790855008.db2.gz WCXVBRQNYCHOJL-ZETCQYMHSA-N -1 0 320.158 2.287 20 10 DECDRM CO[C@H](C)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001120001148 795386377 /nfs/dbraw/zinc/38/63/77/795386377.db2.gz JYXIWXGGQUSAOH-LDWIPMOCSA-N -1 0 308.161 2.277 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cnccc2Cl)ccc1O ZINC001192890444 797466510 /nfs/dbraw/zinc/46/65/10/797466510.db2.gz VUPFDXCAMVPYPP-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM Cc1cc(CN(C)C(=O)c2cc(O)c([O-])c(Cl)c2)n(C)n1 ZINC001193603341 797602087 /nfs/dbraw/zinc/60/20/87/797602087.db2.gz MFAQTCDYJZCBRH-UHFFFAOYSA-N -1 0 309.753 2.065 20 10 DECDRM O=S(=O)(Nc1ccc(O)cc1)c1ccc2nccnc2c1 ZINC001198105177 798284658 /nfs/dbraw/zinc/28/46/58/798284658.db2.gz HHVISLUJYPDHLK-UHFFFAOYSA-N -1 0 301.327 2.136 20 10 DECDRM CN(C)C(=O)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203579635 800084770 /nfs/dbraw/zinc/08/47/70/800084770.db2.gz BPPGQYKEGVWUFV-UHFFFAOYSA-N -1 0 303.189 2.219 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(C(=O)[O-])c1F ZINC001210242798 801356548 /nfs/dbraw/zinc/35/65/48/801356548.db2.gz SCJVPAKFJXSASZ-UHFFFAOYSA-N -1 0 324.333 2.204 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1COC[C@H]1F ZINC001227937113 803297605 /nfs/dbraw/zinc/29/76/05/803297605.db2.gz BSINJEOPGGDFEK-TZMCWYRMSA-N -1 0 318.300 2.445 20 10 DECDRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(N(C)C)cc1 ZINC001573611459 959483201 /nfs/dbraw/zinc/48/32/01/959483201.db2.gz UBBFLMLRLJNQSO-DIFFPNOSSA-N -1 0 304.390 2.431 20 10 DECDRM C[C@@]1(CO)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001261502261 960735379 /nfs/dbraw/zinc/73/53/79/960735379.db2.gz FFAJDRZWTUTOJY-MQDFFIGUSA-N -1 0 320.345 2.291 20 10 DECDRM Cc1[nH]c(C(=O)N2Cc3cccc(O)c3C2)c(C)c1C(=O)[O-] ZINC001599951182 985610268 /nfs/dbraw/zinc/61/02/68/985610268.db2.gz RGTFNDCZAQUCHD-UHFFFAOYSA-N -1 0 300.314 2.191 20 10 DECDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)Cc1ccccc1O ZINC001599956921 985704537 /nfs/dbraw/zinc/70/45/37/985704537.db2.gz BMTJJZNUXLZONE-UHFFFAOYSA-N -1 0 302.330 2.042 20 10 DECDRM CN(C)c1ccc(OCC(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC001598328069 991348270 /nfs/dbraw/zinc/34/82/70/991348270.db2.gz DDDIZYNGOKZLCW-UHFFFAOYSA-N -1 0 314.341 2.468 20 10 DECDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCOc2cc(N(C)C)ccc21 ZINC001604478487 1070405848 /nfs/dbraw/zinc/40/58/48/1070405848.db2.gz VHYFHPGQYRTFDV-JTQLQIEISA-N -1 0 317.345 2.399 20 10 DECDRM CN1CCCc2cc(CNc3ccc(-c4nn[nH]n4)cn3)ccc21 ZINC001604863238 1070517553 /nfs/dbraw/zinc/51/75/53/1070517553.db2.gz XJQFHSSHCFFXHA-UHFFFAOYSA-N -1 0 321.388 2.256 20 10 DECDRM CN(C)c1ccc(OCn2nnc3ccccc32)cc1C(=O)[O-] ZINC001606060187 1071031947 /nfs/dbraw/zinc/03/19/47/1071031947.db2.gz HHTHJSGJZGZQOW-UHFFFAOYSA-N -1 0 312.329 2.232 20 10 DECDRM COc1c(NCc2cccc(Cl)c2O)ncnc1C(=O)[O-] ZINC001607042450 1071284259 /nfs/dbraw/zinc/28/42/59/1071284259.db2.gz MDMCINAEZQPBQT-UHFFFAOYSA-N -1 0 309.709 2.155 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1n[nH]cc1F ZINC001468670085 1059829386 /nfs/dbraw/zinc/82/93/86/1059829386.db2.gz WEPNFFMTECIZFB-UHFFFAOYSA-N -1 0 304.108 2.491 20 10 DECDRM O=C([O-])Cc1ccccc1COC(=O)c1cccc(O)c1O ZINC001610797568 1078078056 /nfs/dbraw/zinc/07/80/56/1078078056.db2.gz SRCFTZUKYHJABH-UHFFFAOYSA-N -1 0 302.282 2.082 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001633282915 1078402308 /nfs/dbraw/zinc/40/23/08/1078402308.db2.gz PADROUALCIUTNZ-UHFFFAOYSA-N -1 0 302.286 2.244 20 10 DECDRM Cc1noc2ncc(NC(=O)c3c(F)ccc(O)c3[O-])cc12 ZINC001641321067 1078705888 /nfs/dbraw/zinc/70/58/88/1078705888.db2.gz OEFLGDWXORHKQS-UHFFFAOYSA-N -1 0 303.249 2.334 20 10 DECDRM C[S@](=O)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001558931913 1075108710 /nfs/dbraw/zinc/10/87/10/1075108710.db2.gz QREMKDSEFHCQHV-NRFANRHFSA-N -1 0 309.318 2.227 20 10 DECDRM CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590461344 1076630748 /nfs/dbraw/zinc/63/07/48/1076630748.db2.gz BEYCZQQLOOLVFX-BXKDBHETSA-N -1 0 307.423 2.365 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001600286925 1077176615 /nfs/dbraw/zinc/17/66/15/1077176615.db2.gz REWAXVLVGNBILC-UHFFFAOYSA-N -1 0 313.375 2.087 20 10 DECDRM Cc1csc(=O)n1CCSc1ncc(C(=O)[O-])s1 ZINC001600645757 1077237807 /nfs/dbraw/zinc/23/78/07/1077237807.db2.gz FGUULVPSUHQZGO-UHFFFAOYSA-N -1 0 302.402 2.165 20 10 DECDRM Cc1ncccc1/C=C/C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001600751373 1077262591 /nfs/dbraw/zinc/26/25/91/1077262591.db2.gz CBZGICPDIIMYFY-FDMDGMSGSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001601361122 1077382883 /nfs/dbraw/zinc/38/28/83/1077382883.db2.gz KNHDLKWYKDIHTC-ZDUSSCGKSA-N -1 0 321.373 2.038 20 10 DECDRM O=C([O-])[C@H]1CCc2sc(NC(=O)C3=CC(=O)CS3)nc2C1 ZINC001601631638 1077420980 /nfs/dbraw/zinc/42/09/80/1077420980.db2.gz TVMMVTWMBXJDMU-LURJTMIESA-N -1 0 324.383 2.352 20 10 DECDRM O=C([O-])[C@]1(F)CCN(Cc2c(O)cccc2Br)C1 ZINC001601717002 1077439721 /nfs/dbraw/zinc/43/97/21/1077439721.db2.gz MDWCUWVCMNURMF-LBPRGKRZSA-N -1 0 318.142 2.153 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881971 1077469821 /nfs/dbraw/zinc/46/98/21/1077469821.db2.gz WIIOGTPYRUWYRZ-TXNVCOODSA-N -1 0 306.318 2.044 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)NCc2ccccc2O)s1 ZINC001608466679 1077644016 /nfs/dbraw/zinc/64/40/16/1077644016.db2.gz RROBHYBJVKBWQK-UHFFFAOYSA-N -1 0 306.343 2.151 20 10 DECDRM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001608533691 1077651384 /nfs/dbraw/zinc/65/13/84/1077651384.db2.gz WZJDUXUKTVRHNI-CABZTGNLSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])c1ccc2c(n1)CCCN2C(=O)/C=C/c1cccnc1 ZINC001608925517 1077722560 /nfs/dbraw/zinc/72/25/60/1077722560.db2.gz IELIXFCYECLSEE-VMPITWQZSA-N -1 0 309.325 2.167 20 10 DECDRM Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(O)c1O ZINC001610485399 1078027862 /nfs/dbraw/zinc/02/78/62/1078027862.db2.gz YXNWSESLRUKFQV-UHFFFAOYSA-N -1 0 305.261 2.496 20 10 DECDRM O=C1CCc2c1cccc2-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566273 1086559904 /nfs/dbraw/zinc/55/99/04/1086559904.db2.gz LYKHYCDESBMWFC-UHFFFAOYSA-N -1 0 309.281 2.339 20 10 DECDRM COc1c(F)cc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)cc1F ZINC001212566326 1086560005 /nfs/dbraw/zinc/56/00/05/1086560005.db2.gz OQGRWQLVOWVUIB-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM COc1ccc(CN2CCc3ncncc3C2)c([O-])c1Cl ZINC001236812262 1138436601 /nfs/dbraw/zinc/43/66/01/1138436601.db2.gz UJYGRKQBDSJLHZ-UHFFFAOYSA-N -1 0 305.765 2.403 20 10 DECDRM CC(C)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1=O ZINC001237804535 1138793885 /nfs/dbraw/zinc/79/38/85/1138793885.db2.gz DTTVSUVUCARKEK-UHFFFAOYSA-N -1 0 300.761 2.237 20 10 DECDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001340463310 1143350818 /nfs/dbraw/zinc/35/08/18/1143350818.db2.gz QTTCJSBBGUDARW-JSGCOSHPSA-N -1 0 319.405 2.147 20 10 DECDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(C)=O)c1 ZINC001259300507 1144086215 /nfs/dbraw/zinc/08/62/15/1144086215.db2.gz LQDUMORNCZJWDZ-UHFFFAOYSA-N -1 0 321.354 2.404 20 10 DECDRM NC(=O)c1c([N-]S(=O)(=O)C2CCCC2)sc2c1CCC2 ZINC001259794093 1144130225 /nfs/dbraw/zinc/13/02/25/1144130225.db2.gz SQOGCOBKJZAXQP-UHFFFAOYSA-N -1 0 314.432 2.020 20 10 DECDRM C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NC(C)(C)C ZINC000273361967 130110939 /nfs/dbraw/zinc/11/09/39/130110939.db2.gz APHPNMLZUSAUTA-VHSXEESVSA-N -1 0 309.366 2.254 20 10 DECDRM C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546777 130135088 /nfs/dbraw/zinc/13/50/88/130135088.db2.gz ZOAPDUGXTKRXKN-RDDDGLTNSA-N -1 0 308.256 2.264 20 10 DECDRM COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(=O)[O-])c2C)cc1 ZINC000033556028 401891414 /nfs/dbraw/zinc/89/14/14/401891414.db2.gz ICRWZBQZTRVXJE-NSHDSACASA-N -1 0 316.357 2.306 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000295066884 403749656 /nfs/dbraw/zinc/74/96/56/403749656.db2.gz AMDPUXCYXLPOOG-VIFPVBQESA-N -1 0 300.761 2.237 20 10 DECDRM COc1cncc(/C=C/C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000493816337 405572270 /nfs/dbraw/zinc/57/22/70/405572270.db2.gz QMWXBTYOMFXNOZ-LQYUOIDQSA-N -1 0 324.336 2.318 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)c(C)n1-c1ccccn1 ZINC000194941273 225193912 /nfs/dbraw/zinc/19/39/12/225193912.db2.gz VORFTWGXKBDVRE-UHFFFAOYSA-N -1 0 315.373 2.424 20 10 DECDRM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000124764987 523695995 /nfs/dbraw/zinc/69/59/95/523695995.db2.gz YHZYJVJTQVRRIC-JTQLQIEISA-N -1 0 314.725 2.091 20 10 DECDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000182475835 527669050 /nfs/dbraw/zinc/66/90/50/527669050.db2.gz ZPFGABISQJKAQL-UHFFFAOYSA-N -1 0 315.782 2.197 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSCC(=O)[O-] ZINC000738852855 597086838 /nfs/dbraw/zinc/08/68/38/597086838.db2.gz KEQHEDZXNHUFTD-UHFFFAOYSA-N -1 0 324.446 2.307 20 10 DECDRM O=C([O-])CCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821518724 598166428 /nfs/dbraw/zinc/16/64/28/598166428.db2.gz ABXCURPFVZZAKB-UHFFFAOYSA-N -1 0 319.405 2.341 20 10 DECDRM CN1CCCc2cc(CNC(=O)NCCCCC(=O)[O-])ccc21 ZINC000820626568 598167438 /nfs/dbraw/zinc/16/74/38/598167438.db2.gz QURZHHFQNUDRLJ-UHFFFAOYSA-N -1 0 319.405 2.123 20 10 DECDRM O=C([O-])c1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000821432223 598178618 /nfs/dbraw/zinc/17/86/18/598178618.db2.gz XNUJUJMOHFWXDT-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1ccc(N(C)C(N)=O)cc1 ZINC000738965770 599874595 /nfs/dbraw/zinc/87/45/95/599874595.db2.gz LBXFNWBNWBLCKD-UHFFFAOYSA-N -1 0 304.302 2.380 20 10 DECDRM Cc1oc(COC(=O)c2ccc(C)c(O)c2O)cc1C(=O)[O-] ZINC000738547132 599999298 /nfs/dbraw/zinc/99/92/98/599999298.db2.gz PZDSDMDVHAHXQK-UHFFFAOYSA-N -1 0 306.270 2.363 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000736471677 600068399 /nfs/dbraw/zinc/06/83/99/600068399.db2.gz LPPMAJARMXHEQD-CABCVRRESA-N -1 0 304.390 2.210 20 10 DECDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739548047 600116266 /nfs/dbraw/zinc/11/62/66/600116266.db2.gz PDUKGXZPAASAQD-GJZGRUSLSA-N -1 0 302.374 2.014 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000080357564 600678558 /nfs/dbraw/zinc/67/85/58/600678558.db2.gz DAHZKAAUCLQRMA-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cc1ncc(/C=C/C(=O)N(CC(=O)[O-])c2cccc(C)n2)s1 ZINC000738720544 601015228 /nfs/dbraw/zinc/01/52/28/601015228.db2.gz RFDADXXMONPISI-VOTSOKGWSA-N -1 0 317.370 2.286 20 10 DECDRM CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c1[O-] ZINC000823628903 603751782 /nfs/dbraw/zinc/75/17/82/603751782.db2.gz YOPCIKGGTOCMQA-QMMMGPOBSA-N -1 0 314.769 2.336 20 10 DECDRM CC(C)(CC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)[O-] ZINC000823881841 603928692 /nfs/dbraw/zinc/92/86/92/603928692.db2.gz LJFVZUMBYRHVCL-UHFFFAOYSA-N -1 0 320.389 2.324 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CN(C)C(=O)[O-])c1O ZINC000823628297 604227117 /nfs/dbraw/zinc/22/71/17/604227117.db2.gz OQRJURATZWVPTM-CYBMUJFWSA-N -1 0 324.352 2.308 20 10 DECDRM Cc1ccc(C)n1-c1ccsc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000832925203 604757976 /nfs/dbraw/zinc/75/79/76/604757976.db2.gz HCIUFXIHTAZOQI-UHFFFAOYSA-N -1 0 319.386 2.248 20 10 DECDRM CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000833506068 605248061 /nfs/dbraw/zinc/24/80/61/605248061.db2.gz RRKXFHXRXYEREK-GFCCVEGCSA-N -1 0 319.760 2.495 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000829483178 605522729 /nfs/dbraw/zinc/52/27/29/605522729.db2.gz FBUONWXLDOKMLP-ZWNOBZJWSA-N -1 0 322.361 2.111 20 10 DECDRM O=C([O-])Nc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000834256823 605550010 /nfs/dbraw/zinc/55/00/10/605550010.db2.gz UNBUEUQUZKJJHU-UHFFFAOYSA-N -1 0 316.313 2.047 20 10 DECDRM Cc1noc(C2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000839131355 637800935 /nfs/dbraw/zinc/80/09/35/637800935.db2.gz SPVVFYUIGDHPHK-UHFFFAOYSA-N -1 0 324.724 2.245 20 10 DECDRM CC1(C)CC(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000895400916 638004416 /nfs/dbraw/zinc/00/44/16/638004416.db2.gz ZZAMAXWHYVFKAP-UHFFFAOYSA-N -1 0 300.761 2.285 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NCCCC(=O)[O-])cc1 ZINC000840985598 650400741 /nfs/dbraw/zinc/40/07/41/650400741.db2.gz XMPZQRMIGNHMLD-UHFFFAOYSA-N -1 0 307.394 2.197 20 10 DECDRM CCC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-] ZINC000780577828 642645489 /nfs/dbraw/zinc/64/54/89/642645489.db2.gz UBVXWPIKLQCLEA-CQSZACIVSA-N -1 0 307.394 2.114 20 10 DECDRM CCn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792703030 644140886 /nfs/dbraw/zinc/14/08/86/644140886.db2.gz OSXLYQIIRVSJNZ-UHFFFAOYSA-N -1 0 313.404 2.131 20 10 DECDRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000792702330 644141006 /nfs/dbraw/zinc/14/10/06/644141006.db2.gz QRMSVCXKECSNBS-UHFFFAOYSA-N -1 0 314.363 2.449 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000911096850 645630091 /nfs/dbraw/zinc/63/00/91/645630091.db2.gz QTSAHFHXWZUCAY-ZIAGYGMSSA-N -1 0 321.373 2.011 20 10 DECDRM CN(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCCC2)cc1F ZINC000911300639 645672700 /nfs/dbraw/zinc/67/27/00/645672700.db2.gz OPLZONFXRHLLST-UHFFFAOYSA-N -1 0 308.353 2.153 20 10 DECDRM COc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1O ZINC000911337831 645684061 /nfs/dbraw/zinc/68/40/61/645684061.db2.gz XKUUVJPNVOMRQE-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000911342866 645685164 /nfs/dbraw/zinc/68/51/64/645685164.db2.gz GWHFNXWDAWNDBT-UHTWSYAYSA-N -1 0 321.373 2.469 20 10 DECDRM CO[C@@H]1CCCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911490096 645722322 /nfs/dbraw/zinc/72/23/22/645722322.db2.gz XTMCTQWGFTYVOS-UKRRQHHQSA-N -1 0 321.373 2.011 20 10 DECDRM CC[C@@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC000911490106 645722532 /nfs/dbraw/zinc/72/25/32/645722532.db2.gz YBWSVOIRBFPSGU-GXTWGEPZSA-N -1 0 321.373 2.011 20 10 DECDRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@@H]1CCCO1 ZINC000911494732 645723360 /nfs/dbraw/zinc/72/33/60/645723360.db2.gz XQVNQPXLLNIORI-WFASDCNBSA-N -1 0 321.373 2.011 20 10 DECDRM CCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000816481209 647140197 /nfs/dbraw/zinc/14/01/97/647140197.db2.gz MOUIJSODDJFXBG-JTQLQIEISA-N -1 0 321.801 2.194 20 10 DECDRM O=C1OCC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN12 ZINC000816521924 647146476 /nfs/dbraw/zinc/14/64/76/647146476.db2.gz DCBIZNZXOZARHO-JTQLQIEISA-N -1 0 314.744 2.211 20 10 DECDRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1n[nH]c(=O)[n-]1 ZINC000817298740 647262083 /nfs/dbraw/zinc/26/20/83/647262083.db2.gz PBZRVCARIJRYAH-GFCCVEGCSA-N -1 0 302.378 2.354 20 10 DECDRM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H](CO)O1 ZINC000817413404 647289429 /nfs/dbraw/zinc/28/94/29/647289429.db2.gz XKKCGPOLFBGLRQ-JTQLQIEISA-N -1 0 303.761 2.156 20 10 DECDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817874259 647369875 /nfs/dbraw/zinc/36/98/75/647369875.db2.gz OJBDHJSQWLDZSW-GXTWGEPZSA-N -1 0 319.405 2.005 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1O ZINC000817874708 647369957 /nfs/dbraw/zinc/36/99/57/647369957.db2.gz NUEPEIVIRXZFPW-BXKDBHETSA-N -1 0 309.337 2.277 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C2(C(=O)[O-])CC2)cc1F ZINC000737850165 647381081 /nfs/dbraw/zinc/38/10/81/647381081.db2.gz ZYHNFDLZUXOTDL-UHFFFAOYSA-N -1 0 308.353 2.153 20 10 DECDRM O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cc(F)ccc21 ZINC000917501491 648005314 /nfs/dbraw/zinc/00/53/14/648005314.db2.gz HSTLVWQLCZNFDG-ZDUSSCGKSA-N -1 0 303.249 2.294 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1 ZINC000821667253 648092175 /nfs/dbraw/zinc/09/21/75/648092175.db2.gz BWSKFBZGPIXEKW-UHFFFAOYSA-N -1 0 322.372 2.090 20 10 DECDRM CC(C)OC(=O)[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825117895 648705497 /nfs/dbraw/zinc/70/54/97/648705497.db2.gz MDVBPWJXPRERFT-QMMMGPOBSA-N -1 0 316.741 2.384 20 10 DECDRM O=S1(=O)CCN(Cc2cccc(Cl)c2[O-])[C@H]2CCC[C@@H]21 ZINC000825200665 648724232 /nfs/dbraw/zinc/72/42/32/648724232.db2.gz FXEKSXJXPBSUES-STQMWFEESA-N -1 0 315.822 2.197 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](O)C(F)(F)C2)c1[O-] ZINC000826958557 648953359 /nfs/dbraw/zinc/95/33/59/648953359.db2.gz RLSHSVSGLXCJHA-SNVBAGLBSA-N -1 0 322.695 2.156 20 10 DECDRM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000830908792 649513322 /nfs/dbraw/zinc/51/33/22/649513322.db2.gz NTNXUYUUNPFINU-SNVBAGLBSA-N -1 0 307.281 2.064 20 10 DECDRM CN(C)c1ccc(CN(c2ncc(C(=O)[O-])cn2)C2CC2)cc1 ZINC000844206573 651091804 /nfs/dbraw/zinc/09/18/04/651091804.db2.gz MEVCHAMGPNKPOJ-UHFFFAOYSA-N -1 0 312.373 2.410 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000844210750 651093479 /nfs/dbraw/zinc/09/34/79/651093479.db2.gz GNHZLOXNGRDBAG-RNZFLTOJSA-N -1 0 306.318 2.044 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000846706540 651347324 /nfs/dbraw/zinc/34/73/24/651347324.db2.gz MCJKLICAWLDDKZ-NEPJUHHUSA-N -1 0 308.353 2.009 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000852942514 652481651 /nfs/dbraw/zinc/48/16/51/652481651.db2.gz JMXBAZRZGSOYKY-OAHLLOKOSA-N -1 0 304.390 2.212 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@@]3(C(=O)[O-])CC3(C)C)ccc21 ZINC000852946498 652482604 /nfs/dbraw/zinc/48/26/04/652482604.db2.gz VODUITMXHPZZMF-GOSISDBHSA-N -1 0 316.401 2.186 20 10 DECDRM CN(C)c1ccc(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000854232798 652662555 /nfs/dbraw/zinc/66/25/55/652662555.db2.gz ULFYZRBPZOZGPX-OAHLLOKOSA-N -1 0 319.405 2.053 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)n(C)[n-]1 ZINC000854373684 652689794 /nfs/dbraw/zinc/68/97/94/652689794.db2.gz JWWFDUKEDMFFPM-UHFFFAOYSA-N -1 0 303.362 2.274 20 10 DECDRM Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000388400437 685428114 /nfs/dbraw/zinc/42/81/14/685428114.db2.gz VGSGCUHDSJDLBF-UHFFFAOYSA-N -1 0 324.314 2.115 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130415926 684188981 /nfs/dbraw/zinc/18/89/81/684188981.db2.gz OUCFOMYHKZKAPV-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM C[C@H](NC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929044945 693885475 /nfs/dbraw/zinc/88/54/75/693885475.db2.gz PQHVBAQBMSYEGD-NSHDSACASA-N -1 0 307.394 2.318 20 10 DECDRM CCOC(=O)c1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C ZINC000871949866 688900577 /nfs/dbraw/zinc/90/05/77/688900577.db2.gz OVVKYAAQPZVYRU-QMMMGPOBSA-N -1 0 312.272 2.190 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)ccc1O ZINC000872357983 688987333 /nfs/dbraw/zinc/98/73/33/688987333.db2.gz LPEOBAVZGGVEOI-UHFFFAOYSA-N -1 0 321.402 2.114 20 10 DECDRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000872857407 689107639 /nfs/dbraw/zinc/10/76/39/689107639.db2.gz DLRSYUNNNPICOW-GLQYFDAESA-N -1 0 304.390 2.431 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC000874386062 689397203 /nfs/dbraw/zinc/39/72/03/689397203.db2.gz GNLUCLIMGYHNQG-HDJSIYSDSA-N -1 0 319.405 2.195 20 10 DECDRM O=C1N[C@H](c2ccc(F)c(F)c2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866462 690250035 /nfs/dbraw/zinc/25/00/35/690250035.db2.gz UBROABDRQQMJEM-BBRMVZONSA-N -1 0 316.307 2.226 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001144298809 790849277 /nfs/dbraw/zinc/84/92/77/790849277.db2.gz JPBYXSGGAVLANN-BXKDBHETSA-N -1 0 322.149 2.199 20 10 DECDRM O=C(Nc1ccc2c(c1)CCO2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147883549 791646811 /nfs/dbraw/zinc/64/68/11/791646811.db2.gz FTKUYLKNSASYAK-UHFFFAOYSA-N -1 0 321.336 2.353 20 10 DECDRM CC[C@@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001121918060 795704202 /nfs/dbraw/zinc/70/42/02/795704202.db2.gz VYQZMENWSLOJPJ-AWEZNQCLSA-N -1 0 321.421 2.395 20 10 DECDRM COC(=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001182919679 795772930 /nfs/dbraw/zinc/77/29/30/795772930.db2.gz NLSJPAMNGJWULZ-UHFFFAOYSA-N -1 0 319.288 2.205 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001139133659 796330965 /nfs/dbraw/zinc/33/09/65/796330965.db2.gz KVWVIHLOMDEJIY-NWDGAFQWSA-N -1 0 303.358 2.416 20 10 DECDRM O=C(NCc1ccc2nonc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193626214 797595705 /nfs/dbraw/zinc/59/57/05/797595705.db2.gz SJHVQXSQYHSNRY-UHFFFAOYSA-N -1 0 319.704 2.217 20 10 DECDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2O)c1 ZINC001196718360 798095419 /nfs/dbraw/zinc/09/54/19/798095419.db2.gz CWVKRWFTVXQHFL-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM CCOC(=O)c1sc(C(=O)OCC)c(OC2CC2)c1[O-] ZINC001227494591 803245871 /nfs/dbraw/zinc/24/58/71/803245871.db2.gz DYDHHUWWAUHVLG-UHFFFAOYSA-N -1 0 300.332 2.348 20 10 DECDRM CCOc1ccc(O)c(CNc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001592705880 951361070 /nfs/dbraw/zinc/36/10/70/951361070.db2.gz XGAMOHXOFFGLTB-UHFFFAOYSA-N -1 0 319.361 2.419 20 10 DECDRM COc1ccc(N2CCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC000390459431 972286836 /nfs/dbraw/zinc/28/68/36/972286836.db2.gz FPENUZPLIZIWTC-UHFFFAOYSA-N -1 0 316.357 2.309 20 10 DECDRM O=C([O-])C1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC001339926438 957902371 /nfs/dbraw/zinc/90/23/71/957902371.db2.gz PNPBWQVZCDVZDJ-UHFFFAOYSA-N -1 0 312.753 2.100 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000390843031 972304325 /nfs/dbraw/zinc/30/43/25/972304325.db2.gz DGLNLRGIGRVJLP-KSLFURFDSA-N -1 0 318.329 2.450 20 10 DECDRM Cc1cc(CNC(=O)[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001594304439 957953432 /nfs/dbraw/zinc/95/34/32/957953432.db2.gz MWMMHODBHVTANQ-GFCCVEGCSA-N -1 0 300.358 2.431 20 10 DECDRM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC001347573834 962404985 /nfs/dbraw/zinc/40/49/85/962404985.db2.gz DGZKLUBHAZMKKH-GASCZTMLSA-N -1 0 316.401 2.404 20 10 DECDRM CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC001595587255 981539822 /nfs/dbraw/zinc/53/98/22/981539822.db2.gz GSDXYUHZIYLLMP-SNVBAGLBSA-N -1 0 301.364 2.411 20 10 DECDRM CCN(CCC(=O)[O-])C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001596309104 983737955 /nfs/dbraw/zinc/73/79/55/983737955.db2.gz ROPNMANODIPHFB-UHFFFAOYSA-N -1 0 309.343 2.249 20 10 DECDRM CC(=O)C(=O)CSc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001589021811 985014277 /nfs/dbraw/zinc/01/42/77/985014277.db2.gz WAFDXEXWPSIKLY-UHFFFAOYSA-N -1 0 307.249 2.049 20 10 DECDRM C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1O ZINC001599840039 988810774 /nfs/dbraw/zinc/81/07/74/988810774.db2.gz SWKMMOJYZUVRFV-PWSUYJOCSA-N -1 0 306.362 2.253 20 10 DECDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C1=CC(=O)CS1 ZINC001598522557 992678395 /nfs/dbraw/zinc/67/83/95/992678395.db2.gz LSPXMPZDNAJLAA-UHFFFAOYSA-N -1 0 321.354 2.189 20 10 DECDRM CN1CCCc2cc(CNC(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC001598603511 993604102 /nfs/dbraw/zinc/60/41/02/993604102.db2.gz KDXCYZJAQFLZQK-UHFFFAOYSA-N -1 0 313.357 2.025 20 10 DECDRM C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593072598 993630320 /nfs/dbraw/zinc/63/03/20/993630320.db2.gz SFPBAXRGTKCJJC-TYNCELHUSA-N -1 0 319.405 2.176 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599598944 993787495 /nfs/dbraw/zinc/78/74/95/993787495.db2.gz WGROKXUEXPSOSS-MRVPVSSYSA-N -1 0 319.313 2.491 20 10 DECDRM COc1cc(C)cc(CNc2cccc(CC(=O)[O-])n2)c1O ZINC001599391696 997049270 /nfs/dbraw/zinc/04/92/70/997049270.db2.gz CWUMKBIQAOABJC-UHFFFAOYSA-N -1 0 302.330 2.343 20 10 DECDRM CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])C1 ZINC001599109386 997539761 /nfs/dbraw/zinc/53/97/61/997539761.db2.gz PWIWRZMONDJYJC-ZKYQVNSYSA-N -1 0 311.353 2.279 20 10 DECDRM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001604350578 1070344480 /nfs/dbraw/zinc/34/44/80/1070344480.db2.gz WOXHHEXARXJVBZ-SNVBAGLBSA-N -1 0 318.377 2.288 20 10 DECDRM CC[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-] ZINC001605120105 1070616787 /nfs/dbraw/zinc/61/67/87/1070616787.db2.gz JMCOFBAGEAPTSD-LBPRGKRZSA-N -1 0 320.370 2.336 20 10 DECDRM CN(C[C@H](O)c1ccccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001606109118 1071043711 /nfs/dbraw/zinc/04/37/11/1071043711.db2.gz YWIWHDZVWRCICK-INIZCTEOSA-N -1 0 319.332 2.459 20 10 DECDRM Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)sc1C(=O)[O-] ZINC001607679331 1071523508 /nfs/dbraw/zinc/52/35/08/1071523508.db2.gz JZIBZXPQKOVUIV-UHFFFAOYSA-N -1 0 307.327 2.347 20 10 DECDRM Cn1cnc2cc(NC(=O)c3c([O-])c(O)ccc3F)ccc21 ZINC001472520318 1060524255 /nfs/dbraw/zinc/52/42/55/1060524255.db2.gz STTHYSZRWXUDRA-UHFFFAOYSA-N -1 0 301.277 2.376 20 10 DECDRM Cn1cnc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001476681739 1061105706 /nfs/dbraw/zinc/10/57/06/1061105706.db2.gz AOXWMIHNEQVQNO-UHFFFAOYSA-N -1 0 316.148 2.149 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@H]1Cc2ccccc2O1 ZINC001478646088 1061253971 /nfs/dbraw/zinc/25/39/71/1061253971.db2.gz KEOMJAHGLKWBIL-GFCCVEGCSA-N -1 0 316.332 2.334 20 10 DECDRM Nc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1C(=O)[O-] ZINC001610647516 1078057339 /nfs/dbraw/zinc/05/73/39/1078057339.db2.gz ZZWXNMJFZXYXQN-FNORWQNLSA-N -1 0 314.297 2.030 20 10 DECDRM O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610742150 1078070893 /nfs/dbraw/zinc/07/08/93/1078070893.db2.gz NNWLNRZADAUORR-VHSXEESVSA-N -1 0 314.725 2.297 20 10 DECDRM O=C(NCCc1ccc(O)c(O)c1)c1ccc(Cl)c([O-])c1 ZINC001595752520 1077067247 /nfs/dbraw/zinc/06/72/47/1077067247.db2.gz RNOQYCJQQGKWDB-UHFFFAOYSA-N -1 0 307.733 2.429 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1cccc(O[C@@H](C)C(N)=O)c1 ZINC001600832399 1077283469 /nfs/dbraw/zinc/28/34/69/1077283469.db2.gz OMXMNNJCYIXSHB-JTQLQIEISA-N -1 0 319.313 2.118 20 10 DECDRM O=C([O-])c1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC001601510786 1077405207 /nfs/dbraw/zinc/40/52/07/1077405207.db2.gz CUOUDBNKLLIWRO-UHFFFAOYSA-N -1 0 314.341 2.132 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC001601708496 1077437054 /nfs/dbraw/zinc/43/70/54/1077437054.db2.gz RXMLYGNEANMCCR-UHFFFAOYSA-N -1 0 300.152 2.109 20 10 DECDRM O=C([O-])C12CCC(C(=O)NCc3ccc(O)c(O)c3)(CC1)CC2 ZINC001601730998 1077442320 /nfs/dbraw/zinc/44/23/20/1077442320.db2.gz QWWXXTRONZGNJH-UHFFFAOYSA-N -1 0 319.357 2.139 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881056 1077469369 /nfs/dbraw/zinc/46/93/69/1077469369.db2.gz MNHPIRAMKNBFRZ-SCXUMTSISA-N -1 0 320.345 2.434 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001608660915 1077672343 /nfs/dbraw/zinc/67/23/43/1077672343.db2.gz GMOJPZVDFQFZFA-HKLWWIALSA-N -1 0 304.302 2.062 20 10 DECDRM O=C([O-])CCCCCCCNC(=O)c1c(F)ccc(O)c1O ZINC001608710550 1077682648 /nfs/dbraw/zinc/68/26/48/1077682648.db2.gz QATJFBPCSNVOGT-UHFFFAOYSA-N -1 0 313.325 2.392 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001609752267 1077917304 /nfs/dbraw/zinc/91/73/04/1077917304.db2.gz CUDMZVWDIUZEHL-SNVBAGLBSA-N -1 0 315.325 2.157 20 10 DECDRM Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)ncn1 ZINC001610459276 1078023954 /nfs/dbraw/zinc/02/39/54/1078023954.db2.gz AMIFJZXTCJMDCB-UHFFFAOYSA-N -1 0 321.764 2.231 20 10 DECDRM O=c1cc(-c2nc(-c3cccnc3OC(F)F)no2)cc([O-])[nH]1 ZINC001212566157 1086559381 /nfs/dbraw/zinc/55/93/81/1086559381.db2.gz GJHLNKUJWWSONV-UHFFFAOYSA-N -1 0 322.227 2.206 20 10 DECDRM COc1ccc(CN2CCO[C@@]3(CCOC3)C2)c([O-])c1Cl ZINC001236803575 1138433519 /nfs/dbraw/zinc/43/35/19/1138433519.db2.gz VIDQKOWMMJQIDL-HNNXBMFYSA-N -1 0 313.781 2.046 20 10 DECDRM CCN1C[C@@H](C)N(Cc2ccc(OC)c(Cl)c2[O-])CC1=O ZINC001236809444 1138435310 /nfs/dbraw/zinc/43/53/10/1138435310.db2.gz MUXDLHMNTYUCBR-SNVBAGLBSA-N -1 0 312.797 2.107 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC001237624062 1138721277 /nfs/dbraw/zinc/72/12/77/1138721277.db2.gz WLJRFLGYDMXXRQ-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001252732955 1142812925 /nfs/dbraw/zinc/81/29/25/1142812925.db2.gz CGBGFCKZGUHYHC-UHFFFAOYSA-N -1 0 310.762 2.338 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000276780015 403193486 /nfs/dbraw/zinc/19/34/86/403193486.db2.gz BWKWXZPXRUMQLT-UHFFFAOYSA-N -1 0 314.388 2.357 20 10 DECDRM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)CCS1(=O)=O ZINC000365445398 404663200 /nfs/dbraw/zinc/66/32/00/404663200.db2.gz VTTQIDHFNWCHQB-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001357121127 1152254385 /nfs/dbraw/zinc/25/43/85/1152254385.db2.gz RHNBGJNCJVCRTQ-CYBMUJFWSA-N -1 0 308.378 2.247 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737089564 600062840 /nfs/dbraw/zinc/06/28/40/600062840.db2.gz YULGPHZWGIBRLY-LSDHHAIUSA-N -1 0 304.390 2.212 20 10 DECDRM CC[C@H]1COCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000314216188 600626102 /nfs/dbraw/zinc/62/61/02/600626102.db2.gz AQYGVBLZLFJNJF-RNZFLTOJSA-N -1 0 306.318 2.308 20 10 DECDRM CN(C[C@H]1CCOC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000399598216 601251504 /nfs/dbraw/zinc/25/15/04/601251504.db2.gz NIVZBKJKTWPAGW-OGOUPESXSA-N -1 0 306.318 2.165 20 10 DECDRM CCN(CCC(=O)OC)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829705541 602237970 /nfs/dbraw/zinc/23/79/70/602237970.db2.gz ZMDUZJXTQAUALL-FNORWQNLSA-N -1 0 322.317 2.082 20 10 DECDRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000736359665 602354892 /nfs/dbraw/zinc/35/48/92/602354892.db2.gz ABBFTGVNWSNNCG-AWEZNQCLSA-N -1 0 307.394 2.003 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)NC(=O)[O-])cc1 ZINC000828054986 603025193 /nfs/dbraw/zinc/02/51/93/603025193.db2.gz AYZDAOZBKYKGFK-HNNXBMFYSA-N -1 0 319.405 2.368 20 10 DECDRM CC(C)[C@H](CCN(C)C(=O)C1=CC(=O)CS1)NC(=O)[O-] ZINC000824091479 603607650 /nfs/dbraw/zinc/60/76/50/603607650.db2.gz FHDBXCKRALZTLL-JTQLQIEISA-N -1 0 300.380 2.208 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830073310 603623612 /nfs/dbraw/zinc/62/36/12/603623612.db2.gz PXPNAGOHQQRRFL-OCCSQVGLSA-N -1 0 319.405 2.114 20 10 DECDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000832516677 603863143 /nfs/dbraw/zinc/86/31/43/603863143.db2.gz YAJBNGDBIWDPIS-AAEUAGOBSA-N -1 0 321.377 2.018 20 10 DECDRM O=C([O-])N[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000832136576 603930121 /nfs/dbraw/zinc/93/01/21/603930121.db2.gz UAADVJZKYPHFSP-LLVKDONJSA-N -1 0 306.343 2.192 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(C(=O)[O-])CC2)c1[O-] ZINC000823628500 604223885 /nfs/dbraw/zinc/22/38/85/604223885.db2.gz SGFMYOPGBNTNDZ-UHFFFAOYSA-N -1 0 324.352 2.308 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC[C@H]2CN(C)C(=O)[O-])c1O ZINC000823628298 604227077 /nfs/dbraw/zinc/22/70/77/604227077.db2.gz OQRJURATZWVPTM-ZDUSSCGKSA-N -1 0 324.352 2.308 20 10 DECDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000738166697 604268303 /nfs/dbraw/zinc/26/83/03/604268303.db2.gz SHKOGAQSIQDIKU-UHFFFAOYSA-N -1 0 315.373 2.326 20 10 DECDRM O=C([O-])NC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000832172094 604443104 /nfs/dbraw/zinc/44/31/04/604443104.db2.gz HYWVITHSSQMAFD-UHFFFAOYSA-N -1 0 317.389 2.093 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833733153 605213728 /nfs/dbraw/zinc/21/37/28/605213728.db2.gz AERFVTDUPVPEBI-UNXYVOJBSA-N -1 0 321.373 2.469 20 10 DECDRM COc1cccc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000833735782 605435675 /nfs/dbraw/zinc/43/56/75/605435675.db2.gz WDRBRJQDXZYGSZ-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM CCCn1c(C)nnc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000833652207 605438053 /nfs/dbraw/zinc/43/80/53/605438053.db2.gz FKZWKJGNURDQNZ-UHFFFAOYSA-N -1 0 318.377 2.096 20 10 DECDRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cn1 ZINC000834262586 605694699 /nfs/dbraw/zinc/69/46/99/605694699.db2.gz MADNRXWBBUQMDJ-KXFIGUGUSA-N -1 0 315.285 2.235 20 10 DECDRM CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCN1C(=O)[O-] ZINC000833842898 605754799 /nfs/dbraw/zinc/75/47/99/605754799.db2.gz BEFCJCBGLRUCPN-KRWDZBQOSA-N -1 0 319.405 2.291 20 10 DECDRM Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC000836212532 650065212 /nfs/dbraw/zinc/06/52/12/650065212.db2.gz SRRZSZSAVKCNGT-UHFFFAOYSA-N -1 0 315.160 2.066 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000738104148 637391184 /nfs/dbraw/zinc/39/11/84/637391184.db2.gz BZCZARTVUOPXNF-SNVBAGLBSA-N -1 0 322.361 2.016 20 10 DECDRM CCNC(=O)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000839138567 637803079 /nfs/dbraw/zinc/80/30/79/637803079.db2.gz NLXJTAOIQRTPOF-UHFFFAOYSA-N -1 0 303.189 2.267 20 10 DECDRM C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000840988298 650401451 /nfs/dbraw/zinc/40/14/51/650401451.db2.gz FNASNWYXKHFLRZ-LBPRGKRZSA-N -1 0 307.394 2.368 20 10 DECDRM Cc1cc(F)ccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000750897088 639041374 /nfs/dbraw/zinc/04/13/74/639041374.db2.gz VYMUDAYQRXBTKB-BJMVGYQFSA-N -1 0 311.359 2.420 20 10 DECDRM C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775702809 642080978 /nfs/dbraw/zinc/08/09/78/642080978.db2.gz ZHTVEHWYWATVFY-QMMMGPOBSA-N -1 0 309.790 2.050 20 10 DECDRM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(C)o1 ZINC000776433327 642172520 /nfs/dbraw/zinc/17/25/20/642172520.db2.gz QBBDKDYUQGZUNB-UHFFFAOYSA-N -1 0 311.315 2.101 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1O ZINC000776747334 642203035 /nfs/dbraw/zinc/20/30/35/642203035.db2.gz BGAMUHOSVBHWTP-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)ccc(O)c1[O-] ZINC000789968687 643797182 /nfs/dbraw/zinc/79/71/82/643797182.db2.gz OVPXWKFUEZRKTK-UHFFFAOYSA-N -1 0 323.227 2.360 20 10 DECDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000911451915 645715030 /nfs/dbraw/zinc/71/50/30/645715030.db2.gz RSYVSVPJQAARGL-LLVKDONJSA-N -1 0 305.374 2.388 20 10 DECDRM CC(=O)NC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683987 646799294 /nfs/dbraw/zinc/79/92/94/646799294.db2.gz IRVGZSYWPTWIKP-UHFFFAOYSA-N -1 0 319.188 2.230 20 10 DECDRM CC(C)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000816566159 647153310 /nfs/dbraw/zinc/15/33/10/647153310.db2.gz MLZZVLDXXIFXGT-UHFFFAOYSA-N -1 0 300.761 2.237 20 10 DECDRM C[C@@H](NCC(F)(F)CN)c1cc(Br)ccc1O ZINC000817966820 647395657 /nfs/dbraw/zinc/39/56/57/647395657.db2.gz WCHSBURJUPQOKD-SSDOTTSWSA-N -1 0 309.154 2.399 20 10 DECDRM O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cc(F)ccc21 ZINC000917501490 648005320 /nfs/dbraw/zinc/00/53/20/648005320.db2.gz HSTLVWQLCZNFDG-CYBMUJFWSA-N -1 0 303.249 2.294 20 10 DECDRM CC(C)CN1CC(=O)N[C@@H]1c1cccc(Br)c1[O-] ZINC000917506467 648007271 /nfs/dbraw/zinc/00/72/71/648007271.db2.gz ZNTUZPALIJRBSA-ZDUSSCGKSA-N -1 0 313.195 2.241 20 10 DECDRM CCCn1cccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000918184844 648062892 /nfs/dbraw/zinc/06/28/92/648062892.db2.gz SYFKQEJDICMBEU-JXMROGBWSA-N -1 0 310.400 2.184 20 10 DECDRM O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(O)c1O ZINC000830468453 649449458 /nfs/dbraw/zinc/44/94/58/649449458.db2.gz NDKHSAXXDFQEJD-LDYMZIIASA-N -1 0 319.279 2.328 20 10 DECDRM CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000844656770 651151729 /nfs/dbraw/zinc/15/17/29/651151729.db2.gz JZDJDOZXMVLUOM-SNVBAGLBSA-N -1 0 301.364 2.411 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000852952661 652483879 /nfs/dbraw/zinc/48/38/79/652483879.db2.gz OGYVBVBENUKASE-UHFFFAOYSA-N -1 0 302.374 2.098 20 10 DECDRM Oc1ccc(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC000139741796 684251447 /nfs/dbraw/zinc/25/14/47/684251447.db2.gz NMCUVVVFIAZIBI-UHFFFAOYSA-N -1 0 304.781 2.158 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000874054768 689349210 /nfs/dbraw/zinc/34/92/10/689349210.db2.gz OYBYSQSKVAOMPW-CZMCAQCFSA-N -1 0 314.179 2.416 20 10 DECDRM Cc1nccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC000877346861 690084172 /nfs/dbraw/zinc/08/41/72/690084172.db2.gz ONDGQARTIJONDW-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM [O-]c1c(CN2CCn3c(nnc3C(F)F)C2)ccc(F)c1F ZINC000877641706 690177117 /nfs/dbraw/zinc/17/71/17/690177117.db2.gz GFVSUDAJOHVORG-UHFFFAOYSA-N -1 0 316.258 2.215 20 10 DECDRM CCOC(=O)[C@@]1(C)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000877704517 690197381 /nfs/dbraw/zinc/19/73/81/690197381.db2.gz PQXOSFSVIGKSCF-OAHLLOKOSA-N -1 0 313.781 2.200 20 10 DECDRM O=C1N[C@@H](c2ccc(F)c(F)c2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877857494 690249396 /nfs/dbraw/zinc/24/93/96/690249396.db2.gz SILNPVSQZRNLCT-GOEBONIOSA-N -1 0 316.307 2.398 20 10 DECDRM Cc1ccc(NCCNC(=O)NCc2c(O)cccc2F)nc1 ZINC000927471807 693611887 /nfs/dbraw/zinc/61/18/87/693611887.db2.gz GAQVUJZYDUXYAK-UHFFFAOYSA-N -1 0 318.352 2.146 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1ncoc1[C@H]1CCCO1 ZINC001333661826 1150075329 /nfs/dbraw/zinc/07/53/29/1150075329.db2.gz XFFMVZGHSFYZAC-GFCCVEGCSA-N -1 0 306.293 2.301 20 10 DECDRM CCOCC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)[O-] ZINC001350669037 1151383692 /nfs/dbraw/zinc/38/36/92/1151383692.db2.gz WVPKTCCRYYUIMX-SNVBAGLBSA-N -1 0 305.733 2.154 20 10 DECDRM CC(C)(C)OC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-] ZINC001331981640 1149803548 /nfs/dbraw/zinc/80/35/48/1149803548.db2.gz GYYAGPGRVIJJIR-NSHDSACASA-N -1 0 303.305 2.028 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001144307569 790854491 /nfs/dbraw/zinc/85/44/91/790854491.db2.gz AICKIEHJCPKMIB-CMPLNLGQSA-N -1 0 302.143 2.267 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001144306526 790854844 /nfs/dbraw/zinc/85/48/44/790854844.db2.gz FPNNJAOSTVMXRW-DTORHVGOSA-N -1 0 302.143 2.267 20 10 DECDRM O=C(Nc1cnn(C(F)F)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880689 791646575 /nfs/dbraw/zinc/64/65/75/791646575.db2.gz FQFRWHJLQJUJTJ-UHFFFAOYSA-N -1 0 319.271 2.010 20 10 DECDRM O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1O ZINC001176958197 794541979 /nfs/dbraw/zinc/54/19/79/794541979.db2.gz KRHVXBLXTVRYKQ-GFCCVEGCSA-N -1 0 321.760 2.085 20 10 DECDRM O=C(Nc1ccc(OC(F)F)nc1)c1c(F)ccc(O)c1[O-] ZINC001183268646 795842697 /nfs/dbraw/zinc/84/26/97/795842697.db2.gz RLPHHMBDDJEDNY-UHFFFAOYSA-N -1 0 314.219 2.486 20 10 DECDRM Cc1ccnc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139686616 796410409 /nfs/dbraw/zinc/41/04/09/796410409.db2.gz CTTKSWZESRLYPA-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM Cn1nc2c(c1NC(=O)c1cc(O)c([O-])c(Cl)c1)CCC2 ZINC001193590333 797589532 /nfs/dbraw/zinc/58/95/32/797589532.db2.gz YGCKWMZQVSENGW-UHFFFAOYSA-N -1 0 307.737 2.226 20 10 DECDRM CC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001203587049 800085457 /nfs/dbraw/zinc/08/54/57/800085457.db2.gz YZMAWNMGJYRTHV-LBPRGKRZSA-N -1 0 304.173 2.489 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CC2(CC(O)C2)C1 ZINC001233026944 802004954 /nfs/dbraw/zinc/00/49/54/802004954.db2.gz ITVNVLXKOIIJMZ-UHFFFAOYSA-N -1 0 316.170 2.251 20 10 DECDRM COC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(F)c(F)c1[O-] ZINC001233078356 802022997 /nfs/dbraw/zinc/02/29/97/802022997.db2.gz SEXHJKIUKJRVHN-VIFPVBQESA-N -1 0 307.243 2.053 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C)C2CC2)c1[O-] ZINC001227620892 803262386 /nfs/dbraw/zinc/26/23/86/803262386.db2.gz WMWXHHFSJKRGGY-LURJTMIESA-N -1 0 300.332 2.204 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@@H]1COCO1 ZINC001227937229 803297294 /nfs/dbraw/zinc/29/72/94/803297294.db2.gz GFKFWSVICAKGQG-LBPRGKRZSA-N -1 0 316.309 2.081 20 10 DECDRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC001594919386 954796794 /nfs/dbraw/zinc/79/67/94/954796794.db2.gz VVYCDOLNFBZRJR-VBROQKIQSA-N -1 0 309.325 2.095 20 10 DECDRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(N(C)C)cc1 ZINC001589118030 956107124 /nfs/dbraw/zinc/10/71/24/956107124.db2.gz UWKNSWBHMVRTDY-NSHDSACASA-N -1 0 313.357 2.337 20 10 DECDRM O=C([O-])CC1(CC(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC000039899351 957358792 /nfs/dbraw/zinc/35/87/92/957358792.db2.gz NCSHQDNJBDZPFK-UHFFFAOYSA-N -1 0 321.373 2.182 20 10 DECDRM O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001332475533 961586163 /nfs/dbraw/zinc/58/61/63/961586163.db2.gz CWJDFTZKFNSSHK-ZDUSSCGKSA-N -1 0 315.316 2.030 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001595891139 982924065 /nfs/dbraw/zinc/92/40/65/982924065.db2.gz MJEVBGORYSJSST-CHWSQXEVSA-N -1 0 306.362 2.035 20 10 DECDRM CCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001596020312 983283572 /nfs/dbraw/zinc/28/35/72/983283572.db2.gz VDYFGMMWFSFSCY-QMMMGPOBSA-N -1 0 309.343 2.296 20 10 DECDRM CCOc1ccc(C[NH2+]CCc2ncc(C(=O)[O-])s2)c(O)c1 ZINC001597105255 986735344 /nfs/dbraw/zinc/73/53/44/986735344.db2.gz KEVNELNCBHHINL-UHFFFAOYSA-N -1 0 322.386 2.278 20 10 DECDRM CCc1[nH]c(C(=O)NCc2c(O)cccc2F)c(C)c1C(=O)[O-] ZINC001597369051 987550418 /nfs/dbraw/zinc/55/04/18/987550418.db2.gz ACBKDZOYNDLJRR-UHFFFAOYSA-N -1 0 320.320 2.358 20 10 DECDRM CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598530522 992773609 /nfs/dbraw/zinc/77/36/09/992773609.db2.gz JGNYNVBGWFZVHH-YPMHNXCESA-N -1 0 306.362 2.177 20 10 DECDRM CN(Cc1cnc(Cl)cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001598533992 992827073 /nfs/dbraw/zinc/82/70/73/992827073.db2.gz YUZMZKGLEPLACT-UHFFFAOYSA-N -1 0 307.737 2.230 20 10 DECDRM COC(=O)C(C)(C)CCN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001598683322 994965965 /nfs/dbraw/zinc/96/59/65/994965965.db2.gz RNYWJMIPWQWERN-UHFFFAOYSA-N -1 0 309.362 2.176 20 10 DECDRM COc1cc(C(=O)[O-])ccc1NCc1cc2c(cc1O)OCO2 ZINC001599375084 998472961 /nfs/dbraw/zinc/47/29/61/998472961.db2.gz JKLMXHRGWRTGEU-UHFFFAOYSA-N -1 0 317.297 2.440 20 10 DECDRM C[C@H]1CCCN(C(=O)CSc2ncc(C(=O)[O-])s2)C1 ZINC001594378390 999426703 /nfs/dbraw/zinc/42/67/03/999426703.db2.gz NWXIBQNLTAPRLD-QMMMGPOBSA-N -1 0 300.405 2.192 20 10 DECDRM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC001602369503 1069620447 /nfs/dbraw/zinc/62/04/47/1069620447.db2.gz KOYFMCJZINTPSB-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM C/C(=C\C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001602951215 1069797238 /nfs/dbraw/zinc/79/72/38/1069797238.db2.gz INDQOPWGTCUWIX-RUNBWSAHSA-N -1 0 309.325 2.095 20 10 DECDRM C/C(=C/CNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC001602973194 1069813432 /nfs/dbraw/zinc/81/34/32/1069813432.db2.gz RHEWFFOJBRVGTL-FLIBITNWSA-N -1 0 318.373 2.101 20 10 DECDRM CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001603917884 1070149093 /nfs/dbraw/zinc/14/90/93/1070149093.db2.gz STZIHTWLNDAQSJ-GFCCVEGCSA-N -1 0 319.760 2.495 20 10 DECDRM CCN(CC)c1ccc(CNC(=S)NCCCC(=O)[O-])cc1 ZINC001605435632 1070709763 /nfs/dbraw/zinc/70/97/63/1070709763.db2.gz IFQWVJNIAQXGJZ-UHFFFAOYSA-N -1 0 323.462 2.362 20 10 DECDRM CCN(Cc1cc(C(=O)[O-])no1)c1ccc(OC)c(OC)c1 ZINC001605456095 1070718124 /nfs/dbraw/zinc/71/81/24/1070718124.db2.gz UZBQAHDTRAIWDO-UHFFFAOYSA-N -1 0 306.318 2.417 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001605456742 1070719606 /nfs/dbraw/zinc/71/96/06/1070719606.db2.gz FJCYCGYVOCPQBL-UHFFFAOYSA-N -1 0 315.373 2.441 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804431 1138793481 /nfs/dbraw/zinc/79/34/81/1138793481.db2.gz DOVKNLVAEBSPJO-ONGXEEELSA-N -1 0 305.708 2.270 20 10 DECDRM Cc1cc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])[nH]n1 ZINC001607650358 1071512037 /nfs/dbraw/zinc/51/20/37/1071512037.db2.gz YBYQVIWQLFIFHT-UHFFFAOYSA-N -1 0 316.336 2.337 20 10 DECDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1O ZINC001635793838 1078459005 /nfs/dbraw/zinc/45/90/05/1078459005.db2.gz KICRHBGHVWZIJW-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM CCN1CC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638305975 1078557058 /nfs/dbraw/zinc/55/70/58/1078557058.db2.gz SAYPRSBXQYERPE-LLVKDONJSA-N -1 0 303.189 2.409 20 10 DECDRM NC(=O)[C@@H]1CC12CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001277446015 1083973500 /nfs/dbraw/zinc/97/35/00/1083973500.db2.gz KJGFKTHEHUENOJ-VIFPVBQESA-N -1 0 301.173 2.006 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC001581209784 1076050958 /nfs/dbraw/zinc/05/09/58/1076050958.db2.gz VDOPYFWURKUEDQ-UHFFFAOYSA-N -1 0 324.344 2.202 20 10 DECDRM Cc1ccc(C(=O)[O-])c2c1CCCN2C(=O)/C=C/c1cnccn1 ZINC001600345647 1077184204 /nfs/dbraw/zinc/18/42/04/1077184204.db2.gz MKDAKDDAOCQEOK-FNORWQNLSA-N -1 0 323.352 2.476 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cc1 ZINC001600391409 1077192536 /nfs/dbraw/zinc/19/25/36/1077192536.db2.gz FAGLBXZGBJLMGD-GFCCVEGCSA-N -1 0 315.325 2.293 20 10 DECDRM Cc1ncccc1/C=C\C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001600751374 1077262716 /nfs/dbraw/zinc/26/27/16/1077262716.db2.gz CBZGICPDIIMYFY-HLRDLLSLSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])c1ccc(/C=C\C(=O)NCc2c(O)cccc2F)o1 ZINC001601238059 1077363272 /nfs/dbraw/zinc/36/32/72/1077363272.db2.gz YNLKYMLGJZXDSG-ALCCZGGFSA-N -1 0 305.261 2.152 20 10 DECDRM O=C([O-])c1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001601541629 1077409352 /nfs/dbraw/zinc/40/93/52/1077409352.db2.gz YSRWETCJCBJIQI-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(O)c1 ZINC001608921331 1077721129 /nfs/dbraw/zinc/72/11/29/1077721129.db2.gz DGIVWJMRSSQUEU-RJRFIUFISA-N -1 0 310.309 2.088 20 10 DECDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001609639890 1077892914 /nfs/dbraw/zinc/89/29/14/1077892914.db2.gz MRHAYESPFZNVLW-QMTHXVAHSA-N -1 0 315.325 2.290 20 10 DECDRM CCOc1ccc(N(CC)CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001610042205 1077971801 /nfs/dbraw/zinc/97/18/01/1077971801.db2.gz HLRYJVQQNKAHAM-INIZCTEOSA-N -1 0 322.405 2.137 20 10 DECDRM CC(=O)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1O ZINC001654624762 1079972835 /nfs/dbraw/zinc/97/28/35/1079972835.db2.gz OQNOVRUXBSKRRE-UHFFFAOYSA-N -1 0 305.261 2.397 20 10 DECDRM Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ncc[n-]3)cc12 ZINC001669804316 1081470885 /nfs/dbraw/zinc/47/08/85/1081470885.db2.gz RVWBAWUCNNLHHL-UHFFFAOYSA-N -1 0 305.359 2.286 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001235057385 1084290685 /nfs/dbraw/zinc/29/06/85/1084290685.db2.gz MSFANTBXHYXVTG-KOLCDFICSA-N -1 0 322.149 2.199 20 10 DECDRM CC(=O)OC1CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235064579 1084296150 /nfs/dbraw/zinc/29/61/50/1084296150.db2.gz IPFSYOWFDCEEOH-UHFFFAOYSA-N -1 0 318.142 2.041 20 10 DECDRM COc1ccc(CNC(=O)c2cc(F)cc(F)c2[O-])c(O)c1 ZINC001626080133 1085986574 /nfs/dbraw/zinc/98/65/74/1085986574.db2.gz XONDQECILMUIRK-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM O=c1cc(-c2nc(-c3cnc4c(c3)CCCC4)no2)cc([O-])[nH]1 ZINC001212566531 1086560344 /nfs/dbraw/zinc/56/03/44/1086560344.db2.gz ZQTJPXNYDCMQFX-UHFFFAOYSA-N -1 0 310.313 2.484 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC001351743306 1151605728 /nfs/dbraw/zinc/60/57/28/1151605728.db2.gz WJKJJZPMOVXVOA-QWRGUYRKSA-N -1 0 320.172 2.421 20 10 DECDRM COc1ccc(CN2C[C@H](CO)C[C@H](F)C2)c([O-])c1Cl ZINC001236802111 1138433560 /nfs/dbraw/zinc/43/35/60/1138433560.db2.gz OTVDJKNXMYDWSE-KOLCDFICSA-N -1 0 303.761 2.207 20 10 DECDRM COc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)c1 ZINC001259189989 1144074138 /nfs/dbraw/zinc/07/41/38/1144074138.db2.gz ONMPQGGKGOQPOG-UHFFFAOYSA-N -1 0 309.343 2.210 20 10 DECDRM CSc1ccccc1C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091128226 192994513 /nfs/dbraw/zinc/99/45/13/192994513.db2.gz MUZUDRDGLQKAGL-JTQLQIEISA-N -1 0 311.428 2.441 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001357172758 1152263082 /nfs/dbraw/zinc/26/30/82/1152263082.db2.gz IVAFSCKSSRDLQI-CHWSQXEVSA-N -1 0 321.421 2.012 20 10 DECDRM O=C([O-])Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000738626895 597200105 /nfs/dbraw/zinc/20/01/05/597200105.db2.gz ZBSNPMICXMSKJU-UHFFFAOYSA-N -1 0 300.314 2.341 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)[O-] ZINC000736471674 599717973 /nfs/dbraw/zinc/71/79/73/599717973.db2.gz LNEJOTDNIMAQAP-UHFFFAOYSA-N -1 0 307.394 2.147 20 10 DECDRM CN(CCCC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000737427798 599732684 /nfs/dbraw/zinc/73/26/84/599732684.db2.gz ZHDKZOBYBLIKLG-UHFFFAOYSA-N -1 0 319.405 2.293 20 10 DECDRM CC(C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000736330913 599741449 /nfs/dbraw/zinc/74/14/49/599741449.db2.gz COZZDBRXIPLQCF-UHFFFAOYSA-N -1 0 319.405 2.339 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)CC1 ZINC000736800194 599852845 /nfs/dbraw/zinc/85/28/45/599852845.db2.gz XWDYYXLVXFGYMG-HOTGVXAUSA-N -1 0 316.401 2.260 20 10 DECDRM COC(=O)CN(CC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC000737614574 599953531 /nfs/dbraw/zinc/95/35/31/599953531.db2.gz DQLJLWOVSGHKEE-UHFFFAOYSA-N -1 0 323.389 2.058 20 10 DECDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)cc1 ZINC000737950904 600359767 /nfs/dbraw/zinc/35/97/67/600359767.db2.gz BQGYOGOYKDUAGN-LBPRGKRZSA-N -1 0 321.354 2.408 20 10 DECDRM Cn1cc(/C=C\C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cn1 ZINC000390853344 600858055 /nfs/dbraw/zinc/85/80/55/600858055.db2.gz JLSGFGAQGWHASW-FWWRYZNZSA-N -1 0 311.341 2.038 20 10 DECDRM O=C([O-])CN(C(=O)/C=C\c1cccnc1)c1cccc(F)c1 ZINC000833242548 601145169 /nfs/dbraw/zinc/14/51/69/601145169.db2.gz OKOSIRVWPMAIJT-SREVYHEPSA-N -1 0 300.289 2.352 20 10 DECDRM CC1(O)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828115924 601860921 /nfs/dbraw/zinc/86/09/21/601860921.db2.gz OGYSDPGPNSLXMI-HWKANZROSA-N -1 0 306.318 2.044 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)NC(=O)[O-])cc1 ZINC000828055256 603032427 /nfs/dbraw/zinc/03/24/27/603032427.db2.gz GMHLOHFXONSCKM-ZDUSSCGKSA-N -1 0 307.394 2.224 20 10 DECDRM C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC000833630272 604669418 /nfs/dbraw/zinc/66/94/18/604669418.db2.gz QYVSCQKOMVLHCD-PSASIEDQSA-N -1 0 314.179 2.307 20 10 DECDRM O=C([O-])CCc1csc(NC(=O)NCc2ccccc2O)n1 ZINC000833241097 604968242 /nfs/dbraw/zinc/96/82/42/604968242.db2.gz VZCKCAXKHFSLAR-UHFFFAOYSA-N -1 0 321.358 2.188 20 10 DECDRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cn1 ZINC000834262590 605694687 /nfs/dbraw/zinc/69/46/87/605694687.db2.gz MADNRXWBBUQMDJ-QHHAFSJGSA-N -1 0 315.285 2.235 20 10 DECDRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988347 650401550 /nfs/dbraw/zinc/40/15/50/650401550.db2.gz GFBHAONZZWBDFL-TZMCWYRMSA-N -1 0 319.405 2.320 20 10 DECDRM COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1F ZINC000728697971 639288073 /nfs/dbraw/zinc/28/80/73/639288073.db2.gz KNPTYCAMOCCSLP-LCYFTJDESA-N -1 0 312.300 2.296 20 10 DECDRM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(O)cc3)cn21 ZINC000841676570 650537028 /nfs/dbraw/zinc/53/70/28/650537028.db2.gz XBNQFEVQIMKVHS-JTQLQIEISA-N -1 0 307.375 2.287 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[S@@](=O)C1 ZINC000763647550 640558223 /nfs/dbraw/zinc/55/82/23/640558223.db2.gz FKLBWZMAWWZPHW-ZRNGKTOUSA-N -1 0 305.802 2.385 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)CC(=O)[O-])c(C)n1-c1ccccn1 ZINC000769462806 641243651 /nfs/dbraw/zinc/24/36/51/641243651.db2.gz QLOIKTMLCJCMDC-SNVBAGLBSA-N -1 0 301.346 2.082 20 10 DECDRM O=C(NCc1c(O)cccc1F)N[C@H]1CCCn2nccc21 ZINC000923946641 642195052 /nfs/dbraw/zinc/19/50/52/642195052.db2.gz AHMRTCRIFKTUIT-LBPRGKRZSA-N -1 0 304.325 2.062 20 10 DECDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cs1 ZINC000776745364 642203372 /nfs/dbraw/zinc/20/33/72/642203372.db2.gz KATOPKYDMJSXGB-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM COCCOC1CN(Cc2cccc(Br)c2[O-])C1 ZINC000779432171 642498914 /nfs/dbraw/zinc/49/89/14/642498914.db2.gz MRHIKKHFSOISPE-UHFFFAOYSA-N -1 0 316.195 2.002 20 10 DECDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(O)c1O ZINC000780993394 642700368 /nfs/dbraw/zinc/70/03/68/642700368.db2.gz HAQMEXNGQVRBLP-UHFFFAOYSA-N -1 0 304.258 2.272 20 10 DECDRM CC(C)CCO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911485773 645720898 /nfs/dbraw/zinc/72/08/98/645720898.db2.gz KWTDOEKJWDJWCM-ZDUSSCGKSA-N -1 0 323.389 2.257 20 10 DECDRM CSCCCCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911487651 645721775 /nfs/dbraw/zinc/72/17/75/645721775.db2.gz FCBWCVAGXYDJHC-UHFFFAOYSA-N -1 0 311.403 2.339 20 10 DECDRM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)S1(=O)=O ZINC000811518940 646538802 /nfs/dbraw/zinc/53/88/02/646538802.db2.gz SMZNAQBPKWJRHQ-IUCAKERBSA-N -1 0 321.801 2.192 20 10 DECDRM CN(c1ccc(CN=c2nn[n-]n2C)cc1)C1CCCCC1 ZINC000730804547 647407358 /nfs/dbraw/zinc/40/73/58/647407358.db2.gz IBNNVVHKKXQEQI-UHFFFAOYSA-N -1 0 300.410 2.013 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C\c2cccc(F)c2F)SC1=S ZINC000730807381 647408833 /nfs/dbraw/zinc/40/88/33/647408833.db2.gz VPQJMSHURYXZBN-XBXARRHUSA-N -1 0 315.322 2.251 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000914849440 647436240 /nfs/dbraw/zinc/43/62/40/647436240.db2.gz IRFLRSTVGKBMAS-UHFFFAOYSA-N -1 0 313.357 2.118 20 10 DECDRM CS(=O)(=O)C[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000824913925 648671412 /nfs/dbraw/zinc/67/14/12/648671412.db2.gz JBOJFTVZNGRGEF-GFCCVEGCSA-N -1 0 317.838 2.445 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184869935 649399058 /nfs/dbraw/zinc/39/90/58/649399058.db2.gz KTKQOVQRXNVOTQ-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM COc1cc(CCNC(=O)c2cccc(O)c2O)ccc1C ZINC000185722409 649597329 /nfs/dbraw/zinc/59/73/29/649597329.db2.gz QJPKODBAZFAKIU-UHFFFAOYSA-N -1 0 301.342 2.387 20 10 DECDRM C[C@@H]1[C@@H](CO)CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210190 651092945 /nfs/dbraw/zinc/09/29/45/651092945.db2.gz RHDPUIZPFGFTPF-BVKQBWKVSA-N -1 0 320.345 2.290 20 10 DECDRM CN(CC1(O)CCCC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210003 651092978 /nfs/dbraw/zinc/09/29/78/651092978.db2.gz NHGZEUOTNOIBPK-FNORWQNLSA-N -1 0 320.345 2.434 20 10 DECDRM C[C@@H]1C[C@H](CO)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218156 651094850 /nfs/dbraw/zinc/09/48/50/651094850.db2.gz NMWNJTAOSNJVFS-CLZWFORCSA-N -1 0 320.345 2.147 20 10 DECDRM CN(Cc1nc(C(C)(C)C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279456 651319999 /nfs/dbraw/zinc/31/99/99/651319999.db2.gz FJFWEZLZMIGCOF-UHFFFAOYSA-N -1 0 319.361 2.467 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848585836 651475966 /nfs/dbraw/zinc/47/59/66/651475966.db2.gz PFIMWTZXYOVFIO-CYBMUJFWSA-N -1 0 321.421 2.393 20 10 DECDRM C[C@]12COC[C@@H]1CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000849348917 651655766 /nfs/dbraw/zinc/65/57/66/651655766.db2.gz VZXXBNQJCZFNLQ-DFHOYPMSSA-N -1 0 318.329 2.165 20 10 DECDRM CC(C)C[C@H](CNC(=O)NCc1ccccc1O)CC(=O)[O-] ZINC000851653707 652199195 /nfs/dbraw/zinc/19/91/95/652199195.db2.gz YBXOQNCJOXWUSU-LBPRGKRZSA-N -1 0 308.378 2.328 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000852943014 652481606 /nfs/dbraw/zinc/48/16/06/652481606.db2.gz PJXRAALEJYMDOE-QGZVFWFLSA-N -1 0 304.390 2.212 20 10 DECDRM CCC(C)(C)CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000853006709 652488454 /nfs/dbraw/zinc/48/84/54/652488454.db2.gz INXFBNPXSHDXTB-UHFFFAOYSA-N -1 0 322.405 2.139 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)NCCC=C(C)C)cc1 ZINC000853007255 652488480 /nfs/dbraw/zinc/48/84/80/652488480.db2.gz SCWJSCJLASAAEQ-UHFFFAOYSA-N -1 0 320.389 2.059 20 10 DECDRM C[C@H](NCc1cccc(Br)c1[O-])c1ncn(C)n1 ZINC000391885533 685447241 /nfs/dbraw/zinc/44/72/41/685447241.db2.gz ZVRIPFMMHLNLMV-QMMMGPOBSA-N -1 0 311.183 2.134 20 10 DECDRM CC(C)[NH+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000127013427 684159415 /nfs/dbraw/zinc/15/94/15/684159415.db2.gz ZHFWWJUODVMWMP-UHFFFAOYSA-N -1 0 313.785 2.480 20 10 DECDRM NC(=O)COc1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864019537 686603302 /nfs/dbraw/zinc/60/33/02/686603302.db2.gz IKSSSDPJJXWYOD-UHFFFAOYSA-N -1 0 308.284 2.147 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)NC2(C)CCCC2)cc1 ZINC000872908105 689117280 /nfs/dbraw/zinc/11/72/80/689117280.db2.gz WNYNTOINQOQGTO-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001144298812 790848656 /nfs/dbraw/zinc/84/86/56/790848656.db2.gz JPBYXSGGAVLANN-SKDRFNHKSA-N -1 0 322.149 2.199 20 10 DECDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120676773 795511212 /nfs/dbraw/zinc/51/12/12/795511212.db2.gz CALQFFXAANLWPQ-MRXNPFEDSA-N -1 0 305.378 2.055 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@H](C)C1 ZINC001139126817 796327748 /nfs/dbraw/zinc/32/77/48/796327748.db2.gz QWZBMDTXFNUJBM-LLVKDONJSA-N -1 0 301.342 2.218 20 10 DECDRM O=C(NCCO[C@H]1CCCCO1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634589 797597647 /nfs/dbraw/zinc/59/76/47/797597647.db2.gz YQSREJJQDNUZDO-LBPRGKRZSA-N -1 0 315.753 2.024 20 10 DECDRM Nc1ncc(Cl)nc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193605981 797601584 /nfs/dbraw/zinc/60/15/84/797601584.db2.gz PKGKPDBLNBTPCV-UHFFFAOYSA-N -1 0 315.116 2.029 20 10 DECDRM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC001594919124 954793361 /nfs/dbraw/zinc/79/33/61/954793361.db2.gz BALCVOWRBZOBMG-YVACAVLKSA-N -1 0 324.336 2.406 20 10 DECDRM CCC(CC)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001589500293 955028896 /nfs/dbraw/zinc/02/88/96/955028896.db2.gz CKHVDUSUAHWXOS-UHFFFAOYSA-N -1 0 320.349 2.470 20 10 DECDRM C[N@H+](CCC(=O)[O-])Cc1cc(Br)cc(F)c1[O-] ZINC000715761778 955117163 /nfs/dbraw/zinc/11/71/63/955117163.db2.gz HYJCSCXDWQSQOO-UHFFFAOYSA-N -1 0 306.131 2.200 20 10 DECDRM Cn1cnc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594556529 955768014 /nfs/dbraw/zinc/76/80/14/955768014.db2.gz LKZUCJFSGVGTBZ-LMVHVUTASA-N -1 0 311.341 2.038 20 10 DECDRM C[C@](CNC(=O)C1=CC(=O)CS1)(C(=O)[O-])c1ccccc1 ZINC001603184596 972287828 /nfs/dbraw/zinc/28/78/28/972287828.db2.gz FPRXGIPESNYYQT-OAHLLOKOSA-N -1 0 305.355 2.226 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000390843027 972304267 /nfs/dbraw/zinc/30/42/67/972304267.db2.gz DGLNLRGIGRVJLP-HIINFBLBSA-N -1 0 318.329 2.450 20 10 DECDRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(N(C)C)cc1 ZINC001573611461 959483902 /nfs/dbraw/zinc/48/39/02/959483902.db2.gz UBBFLMLRLJNQSO-GTNSWQLSSA-N -1 0 304.390 2.431 20 10 DECDRM COc1cccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1O ZINC001574231809 960408387 /nfs/dbraw/zinc/40/83/87/960408387.db2.gz DQPMQTNXGPVNDG-SOFGYWHQSA-N -1 0 317.297 2.022 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001574332969 960898564 /nfs/dbraw/zinc/89/85/64/960898564.db2.gz JEPLJWQLBGMGOL-LRDDRELGSA-N -1 0 318.417 2.219 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])ccc1O ZINC001344042621 1150793737 /nfs/dbraw/zinc/79/37/37/1150793737.db2.gz KZXPSQHPAMAEDL-UHFFFAOYSA-N -1 0 314.344 2.471 20 10 DECDRM CC(C)c1ccc(O)c(C[N@@H+]2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001591974508 976589696 /nfs/dbraw/zinc/58/96/96/976589696.db2.gz ZPLGVXYGIJRHOG-KRWDZBQOSA-N -1 0 318.373 2.321 20 10 DECDRM C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1O ZINC001599894340 984733957 /nfs/dbraw/zinc/73/39/57/984733957.db2.gz SWKMMOJYZUVRFV-CMPLNLGQSA-N -1 0 306.362 2.253 20 10 DECDRM C[C@H]1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001599928387 985251994 /nfs/dbraw/zinc/25/19/94/985251994.db2.gz IRSMDKGTOXEMCI-JTQLQIEISA-N -1 0 306.337 2.236 20 10 DECDRM CC(C)(C)N1CC[C@@H](Sc2ncc(C(=O)[O-])s2)C1=O ZINC001589815557 988253810 /nfs/dbraw/zinc/25/38/10/988253810.db2.gz PFBBLXGFIWBZNR-SSDOTTSWSA-N -1 0 300.405 2.333 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001598317591 991304933 /nfs/dbraw/zinc/30/49/33/991304933.db2.gz JCLVOGMAVIQNIW-QGZVFWFLSA-N -1 0 319.405 2.149 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001598320385 991316363 /nfs/dbraw/zinc/31/63/63/991316363.db2.gz BJHQZAIUSMOADB-UHFFFAOYSA-N -1 0 314.345 2.168 20 10 DECDRM CN(C)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001598320665 991318570 /nfs/dbraw/zinc/31/85/70/991318570.db2.gz LNFGYNVDXJUQQO-UHFFFAOYSA-N -1 0 316.317 2.366 20 10 DECDRM CN(C)c1ccc(OCC(=O)NC2CCCCC2)cc1C(=O)[O-] ZINC001598328651 991354051 /nfs/dbraw/zinc/35/40/51/991354051.db2.gz WUOVIJATKJKGTO-UHFFFAOYSA-N -1 0 320.389 2.279 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598530383 992771741 /nfs/dbraw/zinc/77/17/41/992771741.db2.gz CXQAVVYDJBOTAV-CLFYSBASSA-N -1 0 301.298 2.355 20 10 DECDRM CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001598530488 992773985 /nfs/dbraw/zinc/77/39/85/992773985.db2.gz HOXLUXSJWDNMAG-WCQYABFASA-N -1 0 306.362 2.177 20 10 DECDRM C[C@@H](NC(=S)NCCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593189615 994113157 /nfs/dbraw/zinc/11/31/57/994113157.db2.gz HSTKOWPTIULKEM-LLVKDONJSA-N -1 0 309.435 2.143 20 10 DECDRM C[C@H](O)c1ncc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001593480450 995424359 /nfs/dbraw/zinc/42/43/59/995424359.db2.gz CCAHLJFWMBIDDX-JTQLQIEISA-N -1 0 322.386 2.296 20 10 DECDRM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001599149577 998272440 /nfs/dbraw/zinc/27/24/40/998272440.db2.gz LEHUAELXVWMMOT-CYBMUJFWSA-N -1 0 305.733 2.154 20 10 DECDRM O=C([O-])C1=S=C(C(=O)Nc2ccc(-c3ncco3)cc2)C=C1 ZINC001602324240 1069605376 /nfs/dbraw/zinc/60/53/76/1069605376.db2.gz JVDCUSVEFAXWSF-UHFFFAOYSA-N -1 0 314.322 2.013 20 10 DECDRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001604951313 1070544198 /nfs/dbraw/zinc/54/41/98/1070544198.db2.gz HRMCNNFBYVTFKB-SKDRFNHKSA-N -1 0 320.349 2.468 20 10 DECDRM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(O)c1 ZINC001605690793 1070840930 /nfs/dbraw/zinc/84/09/30/1070840930.db2.gz QXJZXTPDDXJSKS-PEYYIBSZSA-N -1 0 305.374 2.476 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001606055113 1071030367 /nfs/dbraw/zinc/03/03/67/1071030367.db2.gz BNQKXZLVYSSMJI-UHFFFAOYSA-N -1 0 314.345 2.168 20 10 DECDRM O=C(NCc1ccc(O)cc1O)c1ccc2[n-]c(=S)oc2c1 ZINC001451763275 1056919348 /nfs/dbraw/zinc/91/93/48/1056919348.db2.gz AFMXRULMXXAKNU-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM O=C([O-])c1ccc(COC(=O)c2cccc(O)c2O)cc1F ZINC001610828913 1078082602 /nfs/dbraw/zinc/08/26/02/1078082602.db2.gz OKZJOYCMFXVRHY-UHFFFAOYSA-N -1 0 306.245 2.292 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2c(F)cccc2F)c1 ZINC001620790619 1067436405 /nfs/dbraw/zinc/43/64/05/1067436405.db2.gz LJLDNZVIWINDMB-ZDUSSCGKSA-N -1 0 324.283 2.402 20 10 DECDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1O ZINC001642827543 1078772018 /nfs/dbraw/zinc/77/20/18/1078772018.db2.gz KVLRARVHTCMFTH-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM Cc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600214324 1077163666 /nfs/dbraw/zinc/16/36/66/1077163666.db2.gz OPDUJDWDDXGRPH-HWKANZROSA-N -1 0 318.281 2.454 20 10 DECDRM Cc1ccc(C(=O)[O-])c2c1CCCN2C(=O)/C=C\c1cnccn1 ZINC001600345646 1077184491 /nfs/dbraw/zinc/18/44/91/1077184491.db2.gz MKDAKDDAOCQEOK-ALCCZGGFSA-N -1 0 323.352 2.476 20 10 DECDRM Cc1cccnc1NC(=O)CSc1ncc(C(=O)[O-])s1 ZINC001600592876 1077228704 /nfs/dbraw/zinc/22/87/04/1077228704.db2.gz MGJQYMBKHRDENN-UHFFFAOYSA-N -1 0 309.372 2.276 20 10 DECDRM Nc1ccc(CCNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001601215555 1077358538 /nfs/dbraw/zinc/35/85/38/1077358538.db2.gz DZYHESQUWDTNGT-UHFFFAOYSA-N -1 0 312.369 2.259 20 10 DECDRM O=C([O-])[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC001601395972 1077388650 /nfs/dbraw/zinc/38/86/50/1077388650.db2.gz GMFUANYKZKZHFI-NSHDSACASA-N -1 0 313.281 2.288 20 10 DECDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001601641633 1077423934 /nfs/dbraw/zinc/42/39/34/1077423934.db2.gz JXVJCAQSFRTGMT-BXKDBHETSA-N -1 0 315.316 2.030 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001608238768 1077614367 /nfs/dbraw/zinc/61/43/67/1077614367.db2.gz ZDCOMDLVQUWRCZ-LBPRGKRZSA-N -1 0 318.333 2.318 20 10 DECDRM NC(=O)c1cnc(Sc2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001608247039 1077615461 /nfs/dbraw/zinc/61/54/61/1077615461.db2.gz PYYSWYZHMBLUNR-UHFFFAOYSA-N -1 0 315.763 2.140 20 10 DECDRM O=C([O-])c1cccc(CCNC(=O)NCc2ccccc2O)c1 ZINC001608451731 1077642791 /nfs/dbraw/zinc/64/27/91/1077642791.db2.gz KPGHNGXXNHOABP-UHFFFAOYSA-N -1 0 314.341 2.132 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001608660906 1077672430 /nfs/dbraw/zinc/67/24/30/1077672430.db2.gz FWNRKLPSOQGFFQ-QQHVMHFCSA-N -1 0 324.308 2.257 20 10 DECDRM COC(=O)c1csc(CSc2ncc(C(=O)[O-])s2)n1 ZINC001610221999 1077991549 /nfs/dbraw/zinc/99/15/49/1077991549.db2.gz FIHYLPHDUOAOEY-UHFFFAOYSA-N -1 0 316.385 2.377 20 10 DECDRM Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(O)c1O ZINC001610484261 1078028128 /nfs/dbraw/zinc/02/81/28/1078028128.db2.gz SJPDPZKKPICAEF-LLVKDONJSA-N -1 0 321.373 2.369 20 10 DECDRM Cc1nc2ncnn2c(Sc2ncc(C(=O)[O-])s2)c1C ZINC001610562068 1078041975 /nfs/dbraw/zinc/04/19/75/1078041975.db2.gz XBMZAECECYLWFO-UHFFFAOYSA-N -1 0 307.360 2.047 20 10 DECDRM Cc1cccn2c(NC(=O)c3c([O-])c(O)ccc3F)cnc12 ZINC001651149611 1079790744 /nfs/dbraw/zinc/79/07/44/1079790744.db2.gz FTNMGAFRXXWHGJ-UHFFFAOYSA-N -1 0 301.277 2.445 20 10 DECDRM O=C1NCCN(Cc2cc(F)cc(F)c2[O-])[C@H]1c1ccccc1 ZINC001657275032 1080169185 /nfs/dbraw/zinc/16/91/85/1080169185.db2.gz ZORVXSFADGNUTE-HNNXBMFYSA-N -1 0 318.323 2.344 20 10 DECDRM O=S(=O)([N-]Cc1c(O)cccc1F)c1c(F)cccc1F ZINC001671691796 1081533810 /nfs/dbraw/zinc/53/38/10/1081533810.db2.gz XCNDBNWPJINDRC-UHFFFAOYSA-N -1 0 317.288 2.288 20 10 DECDRM [O-]c1c(Cl)cccc1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001276380406 1083747067 /nfs/dbraw/zinc/74/70/67/1083747067.db2.gz SHPBSFGPLIGURC-UHFFFAOYSA-N -1 0 318.808 2.229 20 10 DECDRM O=C1NC[C@]2(CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)O1 ZINC001237621484 1138720327 /nfs/dbraw/zinc/72/03/27/1138720327.db2.gz BAGLRKZOKLIJSD-AWEZNQCLSA-N -1 0 314.744 2.259 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2cccnn2)CC1 ZINC001237800102 1138791459 /nfs/dbraw/zinc/79/14/59/1138791459.db2.gz XECJORYNBIQJIQ-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2cnccn2)CC1 ZINC001237807841 1138797383 /nfs/dbraw/zinc/79/73/83/1138797383.db2.gz NBMQYQJBDRSJED-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM CN(C)c1ccc(/C=C\CNCc2nocc2C(=O)[O-])cc1 ZINC001262163187 1144296555 /nfs/dbraw/zinc/29/65/55/1144296555.db2.gz KKEYNNILSSCYJS-ARJAWSKDSA-N -1 0 301.346 2.242 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC001301046730 1147280098 /nfs/dbraw/zinc/28/00/98/1147280098.db2.gz JBIXNJVUKQPTDW-UHFFFAOYSA-N -1 0 309.325 2.279 20 10 DECDRM O=C([O-])CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000492222738 249018950 /nfs/dbraw/zinc/01/89/50/249018950.db2.gz QKUILWHKGVEPSN-SREVYHEPSA-N -1 0 300.289 2.352 20 10 DECDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000187060261 402480412 /nfs/dbraw/zinc/48/04/12/402480412.db2.gz QRULLIIQKUYSHM-UHFFFAOYSA-N -1 0 309.391 2.458 20 10 DECDRM CCOC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000529667162 405763253 /nfs/dbraw/zinc/76/32/53/405763253.db2.gz RQAMKMMGQIMUHQ-GFCCVEGCSA-N -1 0 303.761 2.422 20 10 DECDRM O=C([O-])C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC000821369319 598220750 /nfs/dbraw/zinc/22/07/50/598220750.db2.gz QYJISPCJQNDMTR-ALCCZGGFSA-N -1 0 305.330 2.015 20 10 DECDRM CO[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000319902289 599809305 /nfs/dbraw/zinc/80/93/05/599809305.db2.gz HVZPQXCOIVGPFJ-HOSRBBHYSA-N -1 0 306.318 2.308 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000736800195 599852604 /nfs/dbraw/zinc/85/26/04/599852604.db2.gz XWDYYXLVXFGYMG-HZPDHXFCSA-N -1 0 316.401 2.260 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737089558 600062947 /nfs/dbraw/zinc/06/29/47/600062947.db2.gz YULGPHZWGIBRLY-CABCVRRESA-N -1 0 304.390 2.212 20 10 DECDRM CCC1(O)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829069463 600821685 /nfs/dbraw/zinc/82/16/85/600821685.db2.gz MFVOLYRBRUVFCA-GQCTYLIASA-N -1 0 320.345 2.434 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(O)c1O ZINC000832911862 601332597 /nfs/dbraw/zinc/33/25/97/601332597.db2.gz YAOHVHHMNBNZJY-JTQLQIEISA-N -1 0 321.354 2.414 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)CCC2CC2)NC(=O)[O-])cc1 ZINC000828064745 603026431 /nfs/dbraw/zinc/02/64/31/603026431.db2.gz XFGDTXZXIIRPHQ-HNNXBMFYSA-N -1 0 319.405 2.368 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)NC(=O)[O-])cc1 ZINC000828064332 603027792 /nfs/dbraw/zinc/02/77/92/603027792.db2.gz PFNGKBOCLPBDLE-CYBMUJFWSA-N -1 0 317.345 2.084 20 10 DECDRM CC(C)[C@@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824065419 603028408 /nfs/dbraw/zinc/02/84/08/603028408.db2.gz VSMBOTVSZFMUBW-IUODEOHRSA-N -1 0 321.421 2.470 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000828354747 603258060 /nfs/dbraw/zinc/25/80/60/603258060.db2.gz BQQCMQFQDBMELT-HNNXBMFYSA-N -1 0 319.405 2.244 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C(C)(C)CNC(=O)[O-])cc1 ZINC000827052771 603636512 /nfs/dbraw/zinc/63/65/12/603636512.db2.gz XROXUQWDPFKRRR-UHFFFAOYSA-N -1 0 321.421 2.443 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000828354971 603679489 /nfs/dbraw/zinc/67/94/89/603679489.db2.gz GTEZAQDLOZWQFG-AWEZNQCLSA-N -1 0 319.405 2.101 20 10 DECDRM CCC[C@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826757406 603929610 /nfs/dbraw/zinc/92/96/10/603929610.db2.gz FVJUEBZTYPQPSN-AWEZNQCLSA-N -1 0 320.389 2.324 20 10 DECDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000824862161 604092573 /nfs/dbraw/zinc/09/25/73/604092573.db2.gz KZEJQFOXVDEIBB-ZDUSSCGKSA-N -1 0 319.405 2.149 20 10 DECDRM CN(C)c1ccc(CN(C(=O)C2(NC(=O)[O-])CC2)C2CC2)cc1 ZINC000828064795 604426454 /nfs/dbraw/zinc/42/64/54/604426454.db2.gz YPSZFASQVPNDPO-UHFFFAOYSA-N -1 0 317.389 2.044 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833733154 605213835 /nfs/dbraw/zinc/21/38/35/605213835.db2.gz AERFVTDUPVPEBI-VOMCLLRMSA-N -1 0 321.373 2.469 20 10 DECDRM COCc1nc(NCc2ccc(N(C)C)c(F)c2)cc(=O)[nH]1 ZINC000892131581 624791761 /nfs/dbraw/zinc/79/17/61/624791761.db2.gz LKZVLLKPOOWIGN-UHFFFAOYSA-N -1 0 306.341 2.146 20 10 DECDRM Oc1c(Br)cccc1CNc1nc2ncccn2n1 ZINC000195035198 625767601 /nfs/dbraw/zinc/76/76/01/625767601.db2.gz IBEGOJZLKFRUTK-UHFFFAOYSA-N -1 0 320.150 2.205 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894620352 637127985 /nfs/dbraw/zinc/12/79/85/637127985.db2.gz ORZVDQGHZHHIMK-SSDOTTSWSA-N -1 0 320.158 2.287 20 10 DECDRM Cc1cc(C(=O)NC(C)(C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000738202204 637399509 /nfs/dbraw/zinc/39/95/09/637399509.db2.gz ZNOFFLWPSPKKDP-UHFFFAOYSA-N -1 0 301.346 2.082 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000841074965 650423005 /nfs/dbraw/zinc/42/30/05/650423005.db2.gz JLKLEAOTPPOZRF-JTQLQIEISA-N -1 0 321.711 2.041 20 10 DECDRM C[C@@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000756386670 639657478 /nfs/dbraw/zinc/65/74/78/639657478.db2.gz IOASBRLMUWZPJD-DZGCQCFKSA-N -1 0 308.334 2.424 20 10 DECDRM CCc1nnc2n1CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775631179 642068983 /nfs/dbraw/zinc/06/89/83/642068983.db2.gz QKKMRVGIGWPRTA-UHFFFAOYSA-N -1 0 310.760 2.354 20 10 DECDRM C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])CCS1(=O)=O ZINC000775713880 642083704 /nfs/dbraw/zinc/08/37/04/642083704.db2.gz KQBLXUDRHNLMJG-DTWKUNHWSA-N -1 0 321.801 2.192 20 10 DECDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCS1(=O)=O ZINC000775725939 642085106 /nfs/dbraw/zinc/08/51/06/642085106.db2.gz RVFKHWVBAXVPKP-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM CCn1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1 ZINC000776750326 642203925 /nfs/dbraw/zinc/20/39/25/642203925.db2.gz AELZUZFSWITZPA-UHFFFAOYSA-N -1 0 301.755 2.063 20 10 DECDRM CN(C)c1ccc(CNC(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC000780489702 642631029 /nfs/dbraw/zinc/63/10/29/642631029.db2.gz FGWLCAKGSVAXDY-UHFFFAOYSA-N -1 0 323.368 2.088 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1)c1ccnn1CC1CCC1 ZINC000901815122 642792978 /nfs/dbraw/zinc/79/29/78/642792978.db2.gz JRFBUDSVEPYXIH-UHFFFAOYSA-N -1 0 307.375 2.190 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)ccc1O ZINC000901919557 642823530 /nfs/dbraw/zinc/82/35/30/642823530.db2.gz ROBAULHNXYSTAS-UHFFFAOYSA-N -1 0 323.374 2.123 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1O ZINC000797820477 644927655 /nfs/dbraw/zinc/92/76/55/644927655.db2.gz ZRFBHAVPLGWRCA-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM C[C@H]1CCCN(c2ccc(CN=c3nn[n-]n3C)cc2Cl)C1 ZINC000799964104 645237328 /nfs/dbraw/zinc/23/73/28/645237328.db2.gz RSCYHTTXQWPLKJ-NSHDSACASA-N -1 0 320.828 2.134 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C12CC(C1)C2 ZINC000911360181 645684050 /nfs/dbraw/zinc/68/40/50/645684050.db2.gz NQNWHBLVPRHUKD-UHFFFAOYSA-N -1 0 309.749 2.259 20 10 DECDRM CCC[C@H](OCC)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911493751 645723383 /nfs/dbraw/zinc/72/33/83/645723383.db2.gz NIYDJPUMCUQCHL-AWEZNQCLSA-N -1 0 309.362 2.011 20 10 DECDRM Cn1ccnc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000808478945 646091170 /nfs/dbraw/zinc/09/11/70/646091170.db2.gz GBNCWTMMVKEUDG-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM CC(C)C[C@@H](CCO)CNC(=O)NCc1c(O)cccc1F ZINC000921143597 648276444 /nfs/dbraw/zinc/27/64/44/648276444.db2.gz DFPJGZKBRZUTGR-GFCCVEGCSA-N -1 0 312.385 2.375 20 10 DECDRM Cc1nc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000827892097 649100902 /nfs/dbraw/zinc/10/09/02/649100902.db2.gz RICGIDLFRPVLAJ-UHFFFAOYSA-N -1 0 312.713 2.277 20 10 DECDRM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(F)cc1[O-] ZINC000848557875 651470630 /nfs/dbraw/zinc/47/06/30/651470630.db2.gz MRDILUGMMIZTMR-RNCFNFMXSA-N -1 0 306.341 2.352 20 10 DECDRM C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(F)cc1[O-] ZINC000848557880 651470663 /nfs/dbraw/zinc/47/06/63/651470663.db2.gz MRDILUGMMIZTMR-ZANVPECISA-N -1 0 306.341 2.352 20 10 DECDRM CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000848641126 651481464 /nfs/dbraw/zinc/48/14/64/651481464.db2.gz YMJIYDBEWQUYQZ-JTQLQIEISA-N -1 0 316.741 2.400 20 10 DECDRM O=S(=O)([N-]N=c1[nH]c2cccnc2s1)C1=CCCCC1 ZINC000857225677 652082275 /nfs/dbraw/zinc/08/22/75/652082275.db2.gz PYZDITHRDJNLOU-UHFFFAOYSA-N -1 0 310.404 2.396 20 10 DECDRM CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H](C)C(=O)[O-] ZINC000851696589 652208031 /nfs/dbraw/zinc/20/80/31/652208031.db2.gz UNJZRKAMKOHQOK-CYBMUJFWSA-N -1 0 315.373 2.424 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000852942509 652481673 /nfs/dbraw/zinc/48/16/73/652481673.db2.gz JMXBAZRZGSOYKY-HNNXBMFYSA-N -1 0 304.390 2.212 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@]3(C(=O)[O-])CC3(C)C)ccc21 ZINC000852946499 652482602 /nfs/dbraw/zinc/48/26/02/652482602.db2.gz VODUITMXHPZZMF-SFHVURJKSA-N -1 0 316.401 2.186 20 10 DECDRM COc1ccc(N2CCN(c3cccc(C(=O)[O-])n3)CC2)cc1 ZINC000390614951 685440733 /nfs/dbraw/zinc/44/07/33/685440733.db2.gz XVQHGBHNJCBGAM-UHFFFAOYSA-N -1 0 313.357 2.115 20 10 DECDRM C[C@@H](NC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929044943 693885441 /nfs/dbraw/zinc/88/54/41/693885441.db2.gz PQHVBAQBMSYEGD-LLVKDONJSA-N -1 0 307.394 2.318 20 10 DECDRM CC(=O)c1cc(F)cc(CN[C@]2(C)CC(C)(C)OC2=O)c1O ZINC000930876039 694260806 /nfs/dbraw/zinc/26/08/06/694260806.db2.gz MIEWFILUNGNLKC-MRXNPFEDSA-N -1 0 309.337 2.308 20 10 DECDRM C[C@@H](NCc1ccc(Br)cc1O)c1nncn1C ZINC000691466215 785902743 /nfs/dbraw/zinc/90/27/43/785902743.db2.gz XYYIFWTYJAMRPN-MRVPVSSYSA-N -1 0 311.183 2.134 20 10 DECDRM Cc1cc(C[C@@H](C)NC(=O)c2cc(O)c([O-])c(Cl)c2)on1 ZINC001193589834 797589181 /nfs/dbraw/zinc/58/91/81/797589181.db2.gz RJGZPNCUTBNAJA-SSDOTTSWSA-N -1 0 310.737 2.409 20 10 DECDRM COc1ncccc1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001194717383 797767754 /nfs/dbraw/zinc/76/77/54/797767754.db2.gz CGNNNGITCPFZKH-UHFFFAOYSA-N -1 0 308.359 2.213 20 10 DECDRM C[NH+]1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027245 802006338 /nfs/dbraw/zinc/00/63/38/802006338.db2.gz OLVZYWRZVFEOBH-UHFFFAOYSA-N -1 0 303.175 2.041 20 10 DECDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000315072832 802446996 /nfs/dbraw/zinc/44/69/96/802446996.db2.gz HVEDUPNOYOBLDH-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC001589603453 949209521 /nfs/dbraw/zinc/20/95/21/949209521.db2.gz NIEJKIZTDHDICP-MRXNPFEDSA-N -1 0 307.346 2.123 20 10 DECDRM CN(C)c1ccc(CN(C(=O)C(C)(C)C(=O)[O-])C2CC2)cc1 ZINC001593709123 954172893 /nfs/dbraw/zinc/17/28/93/954172893.db2.gz USDKAYTYRZROFU-UHFFFAOYSA-N -1 0 304.390 2.354 20 10 DECDRM Cn1cc(/C=C/C(=O)N2CCCc3c(C(=O)[O-])cccc32)cn1 ZINC000320002166 970600638 /nfs/dbraw/zinc/60/06/38/970600638.db2.gz MCWKIHBBLAEPCD-BQYQJAHWSA-N -1 0 311.341 2.111 20 10 DECDRM CCC(CC)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC001595064305 979324969 /nfs/dbraw/zinc/32/49/69/979324969.db2.gz BSDPNYZZFGFFCN-VURMDHGXSA-N -1 0 307.346 2.118 20 10 DECDRM C[C@@H]1CC[C@H](O)CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599848259 988969555 /nfs/dbraw/zinc/96/95/55/988969555.db2.gz XECSUHWJDMGPSU-BABHQGDISA-N -1 0 306.318 2.042 20 10 DECDRM CN(Cc1ccccc1O)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598530665 992775525 /nfs/dbraw/zinc/77/55/25/992775525.db2.gz QJVKZJYGSNONEV-UHFFFAOYSA-N -1 0 303.274 2.030 20 10 DECDRM C[C@H](NCc1nn(C)cc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593315982 994807436 /nfs/dbraw/zinc/80/74/36/994807436.db2.gz DETSXKOALYGHPA-QMMMGPOBSA-N -1 0 309.753 2.328 20 10 DECDRM COC(=O)c1cnc(SCc2cncc(C(=O)[O-])c2)s1 ZINC001599009030 998881218 /nfs/dbraw/zinc/88/12/18/998881218.db2.gz CUCORSJJFLWMHV-UHFFFAOYSA-N -1 0 310.356 2.315 20 10 DECDRM O=C([O-])c1cnc(SCc2cc(=O)n3ccccc3n2)s1 ZINC001602537655 1069666893 /nfs/dbraw/zinc/66/68/93/1069666893.db2.gz ZKSIYANRMSCKHN-UHFFFAOYSA-N -1 0 319.367 2.142 20 10 DECDRM CN(C[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001606143159 1071050616 /nfs/dbraw/zinc/05/06/16/1071050616.db2.gz SFHUAYSPODTCJE-BLLLJJGKSA-N -1 0 315.373 2.123 20 10 DECDRM COCCC1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606865126 1071230165 /nfs/dbraw/zinc/23/01/65/1071230165.db2.gz UFTYFNLCSPDDHM-HYXAFXHYSA-N -1 0 306.318 2.165 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001607667772 1071518881 /nfs/dbraw/zinc/51/88/81/1071518881.db2.gz SFYFCMOMDSTIEZ-DOMZBBRYSA-N -1 0 319.405 2.066 20 10 DECDRM Cc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1[O-] ZINC001463812428 1059024183 /nfs/dbraw/zinc/02/41/83/1059024183.db2.gz JUXVSTQAKVCMTG-UHFFFAOYSA-N -1 0 314.389 2.296 20 10 DECDRM Cc1[nH]c(=O)[nH]c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001468668790 1059829763 /nfs/dbraw/zinc/82/97/63/1059829763.db2.gz MXGYDRHAOZRNBX-UHFFFAOYSA-N -1 0 316.144 2.366 20 10 DECDRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC001610653215 1078058196 /nfs/dbraw/zinc/05/81/96/1078058196.db2.gz XVWWFVQLKOZBPB-SDQPKGBYSA-N -1 0 319.338 2.115 20 10 DECDRM Cc1cc(C(=O)[O-])nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001600125526 1077141131 /nfs/dbraw/zinc/14/11/31/1077141131.db2.gz YHQUPFSJGQRALG-UHFFFAOYSA-N -1 0 300.362 2.186 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001600465436 1077206788 /nfs/dbraw/zinc/20/67/88/1077206788.db2.gz ZDNQKQFMPQPCCZ-UHFFFAOYSA-N -1 0 303.289 2.468 20 10 DECDRM O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001601661380 1077427089 /nfs/dbraw/zinc/42/70/89/1077427089.db2.gz DNILYFOYELZDID-NSHDSACASA-N -1 0 312.778 2.288 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccco1 ZINC001602057135 1077501313 /nfs/dbraw/zinc/50/13/13/1077501313.db2.gz KIVJZQBLXMQBOX-UHFFFAOYSA-N -1 0 323.732 2.295 20 10 DECDRM O=C([O-])CSCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001602098274 1077505285 /nfs/dbraw/zinc/50/52/85/1077505285.db2.gz UQLQKMQNNGDUTI-UHFFFAOYSA-N -1 0 319.382 2.370 20 10 DECDRM O=C([O-])C1=CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001608586679 1077660725 /nfs/dbraw/zinc/66/07/25/1077660725.db2.gz LJZBADNNUHMIHA-VIFPVBQESA-N -1 0 319.338 2.216 20 10 DECDRM O=C([O-])CSCCC(=O)Nc1c2nonc2ccc1Cl ZINC001608767240 1077690782 /nfs/dbraw/zinc/69/07/82/1077690782.db2.gz SPQVPMVXSFNWJC-UHFFFAOYSA-N -1 0 315.738 2.023 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001608868059 1077709713 /nfs/dbraw/zinc/70/97/13/1077709713.db2.gz WNYPXIRLUYFCBQ-SNVBAGLBSA-N -1 0 323.299 2.190 20 10 DECDRM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncc(C(=O)[O-])s2)C1 ZINC001609841008 1077935661 /nfs/dbraw/zinc/93/56/61/1077935661.db2.gz NSUIVXCBDHKIHZ-RKDXNWHRSA-N -1 0 314.432 2.438 20 10 DECDRM Cc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(O)c1O ZINC001610483583 1078028087 /nfs/dbraw/zinc/02/80/87/1078028087.db2.gz CPGCXOOQLNAVGK-UHFFFAOYSA-N -1 0 313.309 2.260 20 10 DECDRM CCN1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC001237623308 1138720857 /nfs/dbraw/zinc/72/08/57/1138720857.db2.gz LSCGNSWBMPRNIL-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM O=C([O-])Cn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001242183503 1139882837 /nfs/dbraw/zinc/88/28/37/1139882837.db2.gz OWUDAQYQNJPPMZ-UHFFFAOYSA-N -1 0 321.340 2.119 20 10 DECDRM O=S(=O)(NC1CSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432705 1142430946 /nfs/dbraw/zinc/43/09/46/1142430946.db2.gz JWUHOZAJXROQDY-UHFFFAOYSA-N -1 0 314.215 2.093 20 10 DECDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001340463314 1143351248 /nfs/dbraw/zinc/35/12/48/1143351248.db2.gz QTTCJSBBGUDARW-TZMCWYRMSA-N -1 0 319.405 2.147 20 10 DECDRM Cc1sc([N-]S(=O)(=O)C2CCCC2)c(C(N)=O)c1C ZINC001259794263 1144130288 /nfs/dbraw/zinc/13/02/88/1144130288.db2.gz ZGAWXKLICLGZBN-UHFFFAOYSA-N -1 0 302.421 2.148 20 10 DECDRM CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000077474221 355206915 /nfs/dbraw/zinc/20/69/15/355206915.db2.gz FMKZCPODYKMYCL-ZDUSSCGKSA-N -1 0 313.741 2.040 20 10 DECDRM C[C@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000016905201 182063598 /nfs/dbraw/zinc/06/35/98/182063598.db2.gz UENOWBMPALYWLF-LBTPYSACSA-N -1 0 323.395 2.370 20 10 DECDRM Cc1cc(C2CCN(C(=O)c3cccc(O)c3O)CC2)[nH]n1 ZINC000279757783 402961476 /nfs/dbraw/zinc/96/14/76/402961476.db2.gz DKMSPTITBWNAPL-UHFFFAOYSA-N -1 0 301.346 2.149 20 10 DECDRM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@H]1c1ncon1 ZINC000370623094 404399585 /nfs/dbraw/zinc/39/95/85/404399585.db2.gz VERRBJUGIUGRCA-JTQLQIEISA-N -1 0 313.716 2.141 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000738402272 600622809 /nfs/dbraw/zinc/62/28/09/600622809.db2.gz NKTLMWLPHPFOKQ-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM COCCN(C/C=C(/C)C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000831724768 601320648 /nfs/dbraw/zinc/32/06/48/601320648.db2.gz BCZDRQSBGXLTEV-GHXNOFRVSA-N -1 0 309.362 2.188 20 10 DECDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1-c1ccccn1 ZINC000832863373 601630984 /nfs/dbraw/zinc/63/09/84/601630984.db2.gz IOLZQGUQCGJPHP-HNNXBMFYSA-N -1 0 313.357 2.082 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832887878 604685942 /nfs/dbraw/zinc/68/59/42/604685942.db2.gz AGSHVTCMLFOGGV-OAHLLOKOSA-N -1 0 319.405 2.210 20 10 DECDRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000833094400 604765811 /nfs/dbraw/zinc/76/58/11/604765811.db2.gz HEJJDPRHIORBIY-GQSKFBFOSA-N -1 0 314.293 2.480 20 10 DECDRM O=C([O-])c1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000833095384 604766233 /nfs/dbraw/zinc/76/62/33/604766233.db2.gz SLPRTRCLRUFNTM-KXFIGUGUSA-N -1 0 304.254 2.146 20 10 DECDRM CCOC(=O)CCN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829842989 604778834 /nfs/dbraw/zinc/77/88/34/604778834.db2.gz GCAYVXSSPABWDV-ALCCZGGFSA-N -1 0 322.317 2.082 20 10 DECDRM O=C([O-])N(CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000831451183 605286185 /nfs/dbraw/zinc/28/61/85/605286185.db2.gz QYKVXJKBBAPHLI-UHFFFAOYSA-N -1 0 300.314 2.193 20 10 DECDRM CC(C)c1nnc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1C ZINC000833511546 605436549 /nfs/dbraw/zinc/43/65/49/605436549.db2.gz ADUFEEPVSPFNAR-UHFFFAOYSA-N -1 0 318.377 2.038 20 10 DECDRM O=C([O-])NCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000834235175 605927128 /nfs/dbraw/zinc/92/71/28/605927128.db2.gz GPIPTAOWNBEHFN-UHFFFAOYSA-N -1 0 320.389 2.325 20 10 DECDRM COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)[O-])cc1OC ZINC000833887345 605989173 /nfs/dbraw/zinc/98/91/73/605989173.db2.gz FCRRZVNWDKKHJV-GFCCVEGCSA-N -1 0 324.377 2.032 20 10 DECDRM O=C([O-])C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000841822672 650570422 /nfs/dbraw/zinc/57/04/22/650570422.db2.gz PLUFPXUSLASMRT-GWCFXTLKSA-N -1 0 308.334 2.424 20 10 DECDRM COc1ccsc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000764412368 640633196 /nfs/dbraw/zinc/63/31/96/640633196.db2.gz QTNWKIOHUREZMC-YWEYNIOJSA-N -1 0 315.397 2.043 20 10 DECDRM Cn1nccc1[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000897559394 640797023 /nfs/dbraw/zinc/79/70/23/640797023.db2.gz VKRWCANAVPQWRY-CQSZACIVSA-N -1 0 307.781 2.353 20 10 DECDRM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775699325 642080992 /nfs/dbraw/zinc/08/09/92/642080992.db2.gz CXYLPFQDDXKMMS-VIFPVBQESA-N -1 0 323.817 2.440 20 10 DECDRM C[C@H]([C@H](C)N(C)Cc1cc(Cl)cc(F)c1[O-])S(C)(=O)=O ZINC000775699271 642081520 /nfs/dbraw/zinc/08/15/20/642081520.db2.gz CCXXCVLKFQAUKZ-DTWKUNHWSA-N -1 0 323.817 2.438 20 10 DECDRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776745743 642203136 /nfs/dbraw/zinc/20/31/36/642203136.db2.gz ZMGKUPNQZFGANK-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C1CC1 ZINC000790750302 643888203 /nfs/dbraw/zinc/88/82/03/643888203.db2.gz PLCKSLCOQSTUNC-IUCAKERBSA-N -1 0 318.337 2.034 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000843037283 650873134 /nfs/dbraw/zinc/87/31/34/650873134.db2.gz WIDAUDURSBZORA-UWVGGRQHSA-N -1 0 324.333 2.159 20 10 DECDRM O=C(C1CC1)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157291 644081429 /nfs/dbraw/zinc/08/14/29/644081429.db2.gz RFHLKGZLDDRHTQ-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM Cc1c(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cnn1C ZINC000794016062 644345920 /nfs/dbraw/zinc/34/59/20/644345920.db2.gz HPMPFEGPDWMRSN-UHFFFAOYSA-N -1 0 324.387 2.246 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@@]12CCOC2 ZINC000799738293 645216518 /nfs/dbraw/zinc/21/65/18/645216518.db2.gz XRYJHBZLLRZUQJ-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)c1[nH]ccc1C1CC1 ZINC000911489574 645721950 /nfs/dbraw/zinc/72/19/50/645721950.db2.gz SCVMJOOASVKIBX-UHFFFAOYSA-N -1 0 314.341 2.325 20 10 DECDRM Cc1cnc(C(=O)NCc2cccc(Br)c2O)o1 ZINC000813817365 646810308 /nfs/dbraw/zinc/81/03/08/646810308.db2.gz AFWSXGVOHNCQKC-UHFFFAOYSA-N -1 0 311.135 2.381 20 10 DECDRM CCC[C@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816516349 647145292 /nfs/dbraw/zinc/14/52/92/647145292.db2.gz CERMHCDVWJYGMT-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514252 647145395 /nfs/dbraw/zinc/14/53/95/647145395.db2.gz RDAVWKVTYMARRH-RKDXNWHRSA-N -1 0 321.801 2.192 20 10 DECDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1=CC(=O)CS1 ZINC000731868448 647517552 /nfs/dbraw/zinc/51/75/52/647517552.db2.gz ZQHAETRBCFZSHE-UHFFFAOYSA-N -1 0 321.383 2.436 20 10 DECDRM CS(=O)(=O)C[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000824913926 648671968 /nfs/dbraw/zinc/67/19/68/648671968.db2.gz JBOJFTVZNGRGEF-LBPRGKRZSA-N -1 0 317.838 2.445 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000844210434 651092926 /nfs/dbraw/zinc/09/29/26/651092926.db2.gz XBLDYAZWASFVQL-DIECRNLCSA-N -1 0 320.345 2.291 20 10 DECDRM COc1ccc(N(C)CCN(C)c2ccc(C(=O)[O-])cn2)cc1 ZINC000844931757 651184542 /nfs/dbraw/zinc/18/45/42/651184542.db2.gz VRRWHTCKKXKNRW-UHFFFAOYSA-N -1 0 315.373 2.361 20 10 DECDRM CC(C)(C)n1nnc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000848923018 651563530 /nfs/dbraw/zinc/56/35/30/651563530.db2.gz CDZCKGPJEJFZLR-UHFFFAOYSA-N -1 0 313.764 2.216 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000852943180 652481675 /nfs/dbraw/zinc/48/16/75/652481675.db2.gz SKOALNRJBPPRFL-JDNHERCYSA-N -1 0 307.346 2.079 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc21 ZINC000852945887 652482639 /nfs/dbraw/zinc/48/26/39/652482639.db2.gz JUFBXHZNKSGYAQ-HNNXBMFYSA-N -1 0 318.417 2.432 20 10 DECDRM C[C@@H](NCc1cccc(Br)c1[O-])c1ncn(C)n1 ZINC000391885531 685447610 /nfs/dbraw/zinc/44/76/10/685447610.db2.gz ZVRIPFMMHLNLMV-MRVPVSSYSA-N -1 0 311.183 2.134 20 10 DECDRM CCOC(=O)[C@@H](F)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877550868 690148914 /nfs/dbraw/zinc/14/89/14/690148914.db2.gz RZEREUGSJGZDNK-NSHDSACASA-N -1 0 303.280 2.003 20 10 DECDRM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886801063 692194761 /nfs/dbraw/zinc/19/47/61/692194761.db2.gz HGUIMPCVHKQALH-CPCISQLKSA-N -1 0 308.256 2.264 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1ncoc1[C@@H]1CCCO1 ZINC001333661829 1150075416 /nfs/dbraw/zinc/07/54/16/1150075416.db2.gz XFFMVZGHSFYZAC-LBPRGKRZSA-N -1 0 306.293 2.301 20 10 DECDRM [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001142527285 780794567 /nfs/dbraw/zinc/79/45/67/780794567.db2.gz RLDHJPFSWVICDM-AOOOYVTPSA-N -1 0 305.271 2.384 20 10 DECDRM C[C@]1(F)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@H]1F ZINC001147881203 791647325 /nfs/dbraw/zinc/64/73/25/791647325.db2.gz RXFZCJQYRKFOHR-CJNGLKHVSA-N -1 0 321.327 2.078 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CNCC(F)(F)CO ZINC000715788212 792510982 /nfs/dbraw/zinc/51/09/82/792510982.db2.gz IMIDSKWEDQZZML-UHFFFAOYSA-N -1 0 314.101 2.011 20 10 DECDRM C[C@H](NC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccccc1O ZINC001171730571 793185685 /nfs/dbraw/zinc/18/56/85/793185685.db2.gz OXXAIBFZJJWTKJ-VIFPVBQESA-N -1 0 314.370 2.215 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(c2cccnc2)CC1 ZINC001139684412 794904291 /nfs/dbraw/zinc/90/42/91/794904291.db2.gz JIRBVRLNFSPIKG-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM COC[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])Cc2cn(C)nc21 ZINC001139681072 796409782 /nfs/dbraw/zinc/40/97/82/796409782.db2.gz HMVDLWUVRUQMCE-NSHDSACASA-N -1 0 323.343 2.150 20 10 DECDRM CC(C)C(=O)N[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687473 796409924 /nfs/dbraw/zinc/40/99/24/796409924.db2.gz MWKZZVPCILGLLV-LLVKDONJSA-N -1 0 312.360 2.407 20 10 DECDRM NC(=O)Cc1cccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)c1 ZINC001193625142 797595303 /nfs/dbraw/zinc/59/53/03/797595303.db2.gz MPIAAERNIUHPFO-UHFFFAOYSA-N -1 0 320.732 2.031 20 10 DECDRM C[C@@](CO)(NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ccccc1 ZINC001193633875 797597456 /nfs/dbraw/zinc/59/74/56/797597456.db2.gz JRLHJUOFAQADHF-INIZCTEOSA-N -1 0 321.760 2.389 20 10 DECDRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001595008375 951231472 /nfs/dbraw/zinc/23/14/72/951231472.db2.gz KUBUTXLUWPXIOU-OQHXTRMZSA-N -1 0 319.357 2.357 20 10 DECDRM O=C([O-])[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001594834549 954018994 /nfs/dbraw/zinc/01/89/94/954018994.db2.gz YVNVLEJJOHTKMJ-INIZCTEOSA-N -1 0 316.401 2.404 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1cccc(S(C)(=O)=O)c1 ZINC000051361110 957503900 /nfs/dbraw/zinc/50/39/00/957503900.db2.gz MSWJKQUUJVSEPO-UHFFFAOYSA-N -1 0 310.327 2.269 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2c(O)cccc2F)c1 ZINC001594286163 957780086 /nfs/dbraw/zinc/78/00/86/957780086.db2.gz OGEVKAKAJOOBEI-UHFFFAOYSA-N -1 0 303.289 2.468 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594311210 958024079 /nfs/dbraw/zinc/02/40/79/958024079.db2.gz FSDRQCTUDFTLLD-OCCSQVGLSA-N -1 0 319.405 2.114 20 10 DECDRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(O)c1O ZINC001594344490 958316216 /nfs/dbraw/zinc/31/62/16/958316216.db2.gz ALTGZNGAFJXYSZ-WXHSDQCUSA-N -1 0 319.357 2.264 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001574332971 960898050 /nfs/dbraw/zinc/89/80/50/960898050.db2.gz JEPLJWQLBGMGOL-WBMJQRKESA-N -1 0 318.417 2.219 20 10 DECDRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000738501428 978548258 /nfs/dbraw/zinc/54/82/58/978548258.db2.gz XOQZWEFDWUNGEF-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592883300 979759496 /nfs/dbraw/zinc/75/94/96/979759496.db2.gz PEZXUPYPQHKZSZ-WCFLWFBJSA-N -1 0 321.373 2.036 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001596364960 983855931 /nfs/dbraw/zinc/85/59/31/983855931.db2.gz RAXFDCQPHAAESU-UKRRQHHQSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@H]1CC[C@H](O)CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599909268 984963872 /nfs/dbraw/zinc/96/38/72/984963872.db2.gz XECSUHWJDMGPSU-KCIUHRJUSA-N -1 0 306.318 2.042 20 10 DECDRM CCOC1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001596855865 985611951 /nfs/dbraw/zinc/61/19/51/985611951.db2.gz WMRSGJDGRYLLOK-UHFFFAOYSA-N -1 0 306.337 2.236 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(=O)[O-])n(C)c1 ZINC001598333993 991376753 /nfs/dbraw/zinc/37/67/53/991376753.db2.gz VUJCEWZRZPUKRW-UHFFFAOYSA-N -1 0 315.373 2.188 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)c1nccnc1C(=O)[O-] ZINC001598519237 992658694 /nfs/dbraw/zinc/65/86/94/992658694.db2.gz MMFWZAJNMQWIBC-UHFFFAOYSA-N -1 0 312.373 2.411 20 10 DECDRM CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598530387 992772209 /nfs/dbraw/zinc/77/22/09/992772209.db2.gz CZEIXLSWOVHOJA-SYQHCUMBSA-N -1 0 318.373 2.033 20 10 DECDRM COc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)c(O)c1 ZINC001599570313 998353587 /nfs/dbraw/zinc/35/35/87/998353587.db2.gz DQIUGLFQQIOYRA-UHFFFAOYSA-N -1 0 315.325 2.337 20 10 DECDRM O=C([O-])c1cnc(S[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)s1 ZINC001602536960 1069667192 /nfs/dbraw/zinc/66/71/92/1069667192.db2.gz IPRCGZJLWJYLDV-IWSPIJDZSA-N -1 0 312.416 2.381 20 10 DECDRM CC(C)N1CCC[C@@H](Sc2ncc(C(=O)[O-])s2)C1=O ZINC001603893272 1070140808 /nfs/dbraw/zinc/14/08/08/1070140808.db2.gz ILCGNBSLMPRWOB-MRVPVSSYSA-N -1 0 300.405 2.333 20 10 DECDRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001604951308 1070544891 /nfs/dbraw/zinc/54/48/91/1070544891.db2.gz HRMCNNFBYVTFKB-BXKDBHETSA-N -1 0 320.349 2.468 20 10 DECDRM CN(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001606058620 1071031659 /nfs/dbraw/zinc/03/16/59/1071031659.db2.gz GNKLGKDKYMUCAP-UHFFFAOYSA-N -1 0 314.341 2.468 20 10 DECDRM C[S@](=N)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001570259981 1065994262 /nfs/dbraw/zinc/99/42/62/1065994262.db2.gz LGFDUXRNPWLYCT-NRFANRHFSA-N -1 0 306.343 2.386 20 10 DECDRM CCN1C(=O)C(=Cc2cccc(-c3nn[nH]n3)c2)SC1=S ZINC001590725761 1076672384 /nfs/dbraw/zinc/67/23/84/1076672384.db2.gz MUIIEHXAVJVZLE-YFHOEESVSA-N -1 0 317.399 2.088 20 10 DECDRM Cc1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)c(C)nn1 ZINC001600190256 1077155791 /nfs/dbraw/zinc/15/57/91/1077155791.db2.gz HPWITNCWIRWTAS-UHFFFAOYSA-N -1 0 301.346 2.193 20 10 DECDRM Cc1c(NCc2ccc(N(C)C)cc2C)cnn1CC(=O)[O-] ZINC001600236545 1077167668 /nfs/dbraw/zinc/16/76/68/1077167668.db2.gz ZQNMITHTTMSGID-UHFFFAOYSA-N -1 0 302.378 2.263 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001600391699 1077192539 /nfs/dbraw/zinc/19/25/39/1077192539.db2.gz OZYULVXPNPOPSE-AWEZNQCLSA-N -1 0 304.321 2.247 20 10 DECDRM Cc1ccc(/C=C/C(=O)N(CC(=O)[O-])c2cccc(C)n2)cn1 ZINC001600396820 1077193165 /nfs/dbraw/zinc/19/31/65/1077193165.db2.gz DZTBGDBQQATBNU-CMDGGOBGSA-N -1 0 311.341 2.224 20 10 DECDRM Cc1ccncc1/C=C\C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001600604470 1077231596 /nfs/dbraw/zinc/23/15/96/1077231596.db2.gz ISNSMJOGUNBNJQ-WLMCBFPDSA-N -1 0 324.336 2.282 20 10 DECDRM Cc1ccncc1/C=C/C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001607896264 1077555029 /nfs/dbraw/zinc/55/50/29/1077555029.db2.gz AKKCQPPCKPZKOS-QPJJXVBHSA-N -1 0 323.352 2.476 20 10 DECDRM O=C([O-])CC1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1 ZINC001608679870 1077676103 /nfs/dbraw/zinc/67/61/03/1077676103.db2.gz TUVIUNCOPHUHKS-UHFFFAOYSA-N -1 0 311.309 2.002 20 10 DECDRM O=C([O-])C[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCOC1 ZINC001608688062 1077677642 /nfs/dbraw/zinc/67/76/42/1077677642.db2.gz WJYKNUYKZUERMF-CQSZACIVSA-N -1 0 317.744 2.298 20 10 DECDRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)c1cccc(O)c1O ZINC001609014261 1077741113 /nfs/dbraw/zinc/74/11/13/1077741113.db2.gz YTHBZIJXOYKODC-ZDUSSCGKSA-N -1 0 320.272 2.090 20 10 DECDRM C[C@H](CC(=O)[O-])CC(=O)NCCCSc1nccs1 ZINC001609733281 1077912582 /nfs/dbraw/zinc/91/25/82/1077912582.db2.gz JCONVZUXGCHKMF-VIFPVBQESA-N -1 0 302.421 2.242 20 10 DECDRM CC(=O)OC1CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235301842 1084378248 /nfs/dbraw/zinc/37/82/48/1084378248.db2.gz JPFSQRYDCGFYGE-UHFFFAOYSA-N -1 0 318.142 2.041 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935042 1138811203 /nfs/dbraw/zinc/81/12/03/1138811203.db2.gz PDTXXZKSRSHMGR-ZDUSSCGKSA-N -1 0 305.708 2.272 20 10 DECDRM CC[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC001353140272 1151812665 /nfs/dbraw/zinc/81/26/65/1151812665.db2.gz XPUJUFMYODSSEU-NSHDSACASA-N -1 0 320.389 2.181 20 10 DECDRM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)C(F)F ZINC001259959557 1144164329 /nfs/dbraw/zinc/16/43/29/1144164329.db2.gz WSOUOCMHODNVJS-UHFFFAOYSA-N -1 0 312.297 2.277 20 10 DECDRM O=S(=O)([N-]c1ccc2oncc2c1)c1cccc2nonc21 ZINC001260441231 1144187271 /nfs/dbraw/zinc/18/72/71/1144187271.db2.gz WNANFABGKHSTQW-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)[C@@H](C)CC)c1C(N)=O ZINC001260726090 1144200106 /nfs/dbraw/zinc/20/01/06/1144200106.db2.gz XUTYYPCYRHMMOI-ZETCQYMHSA-N -1 0 304.437 2.258 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCCN(Cc2c(O)cccc2Cl)C1 ZINC000278637668 402869195 /nfs/dbraw/zinc/86/91/95/402869195.db2.gz IRVBZRQBZKEJDA-LLVKDONJSA-N -1 0 317.838 2.445 20 10 DECDRM CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCO1 ZINC000281167001 403059739 /nfs/dbraw/zinc/05/97/39/403059739.db2.gz GOVBVZLSAMKQAT-LBPRGKRZSA-N -1 0 310.350 2.310 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNCC(F)(F)Br)c1 ZINC000290219310 404084493 /nfs/dbraw/zinc/08/44/93/404084493.db2.gz WWGGQJROLIUWJL-UHFFFAOYSA-N -1 0 311.082 2.378 20 10 DECDRM C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294605800 533678705 /nfs/dbraw/zinc/67/87/05/533678705.db2.gz IGSCOIKSBBTXRT-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000263298723 225295583 /nfs/dbraw/zinc/29/55/83/225295583.db2.gz ZWQMXEJZEHWLGH-NSHDSACASA-N -1 0 315.373 2.282 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)[O-] ZINC000818202755 597310188 /nfs/dbraw/zinc/31/01/88/597310188.db2.gz RTPOWGREHOAXHS-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000736368895 599842854 /nfs/dbraw/zinc/84/28/54/599842854.db2.gz GHAXMRPJTABIKV-OAHLLOKOSA-N -1 0 319.405 2.195 20 10 DECDRM Cc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000738321131 599848349 /nfs/dbraw/zinc/84/83/49/599848349.db2.gz ZLIIJDCLTLJFEH-UHFFFAOYSA-N -1 0 315.373 2.424 20 10 DECDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c(O)c1O ZINC000738546302 599999272 /nfs/dbraw/zinc/99/92/72/599999272.db2.gz RYPVHBIYXMPGSY-CQSZACIVSA-N -1 0 302.282 2.389 20 10 DECDRM Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1 ZINC000738803565 600314969 /nfs/dbraw/zinc/31/49/69/600314969.db2.gz ZDJSAOATTPLZIW-UHFFFAOYSA-N -1 0 321.764 2.231 20 10 DECDRM O=C([O-])c1cccc(C(=O)NCCCSc2nccs2)n1 ZINC000740214875 600418802 /nfs/dbraw/zinc/41/88/02/600418802.db2.gz OBAZQXZJMOSZRK-UHFFFAOYSA-N -1 0 323.399 2.149 20 10 DECDRM O=C([O-])CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000833222943 601271840 /nfs/dbraw/zinc/27/18/40/601271840.db2.gz IGIHSIFYKKDKFX-UHFFFAOYSA-N -1 0 310.313 2.200 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000833194950 601680989 /nfs/dbraw/zinc/68/09/89/601680989.db2.gz AXCGGXVDRULVFY-ICTCPBKTSA-N -1 0 318.329 2.309 20 10 DECDRM CCN(CCC(=O)OC)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829705540 602237865 /nfs/dbraw/zinc/23/78/65/602237865.db2.gz ZMDUZJXTQAUALL-ALCCZGGFSA-N -1 0 322.317 2.082 20 10 DECDRM CN(C)c1ccc(CNC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1F ZINC000828067206 602766773 /nfs/dbraw/zinc/76/67/73/602766773.db2.gz HGYTVZWSSDGPMU-LBPRGKRZSA-N -1 0 323.368 2.040 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)/C=C/C2CC2)NC(=O)[O-])cc1 ZINC000828063787 603025836 /nfs/dbraw/zinc/02/58/36/603025836.db2.gz IJUFVEQWLJKYIL-RNOHYWCBSA-N -1 0 317.389 2.144 20 10 DECDRM C[C@@H]1COCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000399275975 604464961 /nfs/dbraw/zinc/46/49/61/604464961.db2.gz RUXWFSDHLWGQPR-MZBZXASESA-N -1 0 306.318 2.165 20 10 DECDRM Cc1cncc(/C=C/C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1 ZINC000832986388 604554326 /nfs/dbraw/zinc/55/43/26/604554326.db2.gz JTBWDWVVNCDVDI-VOTSOKGWSA-N -1 0 311.341 2.224 20 10 DECDRM CCOC(=O)CCN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829842990 604778844 /nfs/dbraw/zinc/77/88/44/604778844.db2.gz GCAYVXSSPABWDV-FNORWQNLSA-N -1 0 322.317 2.082 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828399793 605789951 /nfs/dbraw/zinc/78/99/51/605789951.db2.gz GUHHIJXAJMQCBH-HNNXBMFYSA-N -1 0 314.341 2.360 20 10 DECDRM O=C([O-])N1CCC2(CCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000834091604 605938788 /nfs/dbraw/zinc/93/87/88/605938788.db2.gz WFIYWLQDAVSOSB-UHFFFAOYSA-N -1 0 310.375 2.060 20 10 DECDRM CCOC(=O)[C@H](F)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894857843 637263367 /nfs/dbraw/zinc/26/33/67/637263367.db2.gz RVWJWXYIUPIMCE-GFCCVEGCSA-N -1 0 303.280 2.003 20 10 DECDRM COCc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000742347208 638060559 /nfs/dbraw/zinc/06/05/59/638060559.db2.gz VQQGXWVRNXUPJG-IZZDOVSWSA-N -1 0 323.395 2.119 20 10 DECDRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988802 650401458 /nfs/dbraw/zinc/40/14/58/650401458.db2.gz NINKYEYVWDAWDQ-YVEFUNNKSA-N -1 0 319.405 2.320 20 10 DECDRM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000895861602 638228175 /nfs/dbraw/zinc/22/81/75/638228175.db2.gz FKFPCQWVIBVWKG-DGCLKSJQSA-N -1 0 313.781 2.246 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000841074968 650423149 /nfs/dbraw/zinc/42/31/49/650423149.db2.gz JLKLEAOTPPOZRF-SNVBAGLBSA-N -1 0 321.711 2.041 20 10 DECDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000765039935 640729034 /nfs/dbraw/zinc/72/90/34/640729034.db2.gz VYWOYKCTAJXHGQ-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291152 642025582 /nfs/dbraw/zinc/02/55/82/642025582.db2.gz BOWMYQHVCZFDKT-UHFFFAOYSA-N -1 0 321.402 2.404 20 10 DECDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776743931 642202919 /nfs/dbraw/zinc/20/29/19/642202919.db2.gz CQKHIHKCSRGBCC-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)ccc1O ZINC000777640767 642290834 /nfs/dbraw/zinc/29/08/34/642290834.db2.gz XUTBARVLGOIVEB-UHFFFAOYSA-N -1 0 307.375 2.108 20 10 DECDRM Cc1ccc(F)cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000777869094 642316856 /nfs/dbraw/zinc/31/68/56/642316856.db2.gz GWWAXQAQOSAOMY-YHYXMXQVSA-N -1 0 311.359 2.420 20 10 DECDRM CC(C)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC000779199979 642472159 /nfs/dbraw/zinc/47/21/59/642472159.db2.gz OMPKHBIGHRAJMU-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](Cc2nccs2)C1 ZINC000900829434 642483807 /nfs/dbraw/zinc/48/38/07/642483807.db2.gz PQUFIRISGVXNAU-VIFPVBQESA-N -1 0 322.361 2.398 20 10 DECDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2OC)s1 ZINC000901703471 642749254 /nfs/dbraw/zinc/74/92/54/642749254.db2.gz GDDVZEULUHGWOM-UHFFFAOYSA-N -1 0 314.388 2.221 20 10 DECDRM CN(C)c1ccc(CNC(=O)N(CC(=O)[O-])C2CCC2)cc1F ZINC000797714497 644910702 /nfs/dbraw/zinc/91/07/02/644910702.db2.gz CPTAEJIQCNDVLG-UHFFFAOYSA-N -1 0 323.368 2.040 20 10 DECDRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000911300445 645672643 /nfs/dbraw/zinc/67/26/43/645672643.db2.gz LTKFVHKBTQORKL-UHFFFAOYSA-N -1 0 320.320 2.421 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C1CC=CC1 ZINC000911360384 645683935 /nfs/dbraw/zinc/68/39/35/645683935.db2.gz QYPUEVBHNYEFCV-UHFFFAOYSA-N -1 0 309.749 2.425 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)COCC1CCCC1 ZINC000911489244 645721878 /nfs/dbraw/zinc/72/18/78/645721878.db2.gz RSRFDAVZFFBYGE-UHFFFAOYSA-N -1 0 321.373 2.012 20 10 DECDRM Cn1cc2c(=NCc3cc(Cl)cc(Cl)c3[O-])ncnc-2[nH]1 ZINC000806557812 645846581 /nfs/dbraw/zinc/84/65/81/645846581.db2.gz JAVHMGYXRFLSEH-UHFFFAOYSA-N -1 0 324.171 2.361 20 10 DECDRM O=C(Cn1ccnc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000812576055 646670190 /nfs/dbraw/zinc/67/01/90/646670190.db2.gz RWVQRZYWMVCJPX-UHFFFAOYSA-N -1 0 300.145 2.212 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C(N)=O)C1 ZINC000816574903 647154253 /nfs/dbraw/zinc/15/42/53/647154253.db2.gz WCXJRYMSYULXHF-PELKAZGASA-N -1 0 300.761 2.271 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000324233605 647311600 /nfs/dbraw/zinc/31/16/00/647311600.db2.gz FLLROCRXNUDFLG-NXEZZACHSA-N -1 0 324.333 2.159 20 10 DECDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817874262 647370113 /nfs/dbraw/zinc/37/01/13/647370113.db2.gz OJBDHJSQWLDZSW-TZMCWYRMSA-N -1 0 319.405 2.005 20 10 DECDRM CN(C)c1n[nH]c(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000818215002 647434246 /nfs/dbraw/zinc/43/42/46/647434246.db2.gz ULCPBEXXROFWEG-UHFFFAOYSA-N -1 0 302.165 2.495 20 10 DECDRM CCCCN1CC(=O)N[C@H]1c1cccc(Br)c1[O-] ZINC000917506043 648007162 /nfs/dbraw/zinc/00/71/62/648007162.db2.gz LWFCDVDXSCALCG-CYBMUJFWSA-N -1 0 313.195 2.385 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCn3ccnc32)c1[O-] ZINC000824521970 648601640 /nfs/dbraw/zinc/60/16/40/648601640.db2.gz PPULKGSEXSFFPJ-SNVBAGLBSA-N -1 0 308.725 2.385 20 10 DECDRM C[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000831038024 649532219 /nfs/dbraw/zinc/53/22/19/649532219.db2.gz BNHQRDNZNSWCDB-FPMFFAJLSA-N -1 0 319.405 2.366 20 10 DECDRM C[C@@]1(O)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208672 651092302 /nfs/dbraw/zinc/09/23/02/651092302.db2.gz FRCYUKCJOXDWHX-MQDFFIGUSA-N -1 0 320.345 2.434 20 10 DECDRM C[C@H](O)C[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211295 651093289 /nfs/dbraw/zinc/09/32/89/651093289.db2.gz YHXRXOZBVHGGHW-PDCNKGEESA-N -1 0 320.345 2.432 20 10 DECDRM CC(C)(C(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000844251724 651099955 /nfs/dbraw/zinc/09/99/55/651099955.db2.gz BINNOALOHTYIFL-UHFFFAOYSA-N -1 0 304.390 2.404 20 10 DECDRM O=C([O-])C[N@@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000844934309 651184960 /nfs/dbraw/zinc/18/49/60/651184960.db2.gz ARCLYGIXTCSFIC-UHFFFAOYSA-N -1 0 314.179 2.451 20 10 DECDRM COc1cncc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000846280482 651320319 /nfs/dbraw/zinc/32/03/19/651320319.db2.gz XSZFJWLAKCDUIU-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000848557521 651470642 /nfs/dbraw/zinc/47/06/42/651470642.db2.gz KHVZTHQORJFFHB-PRHODGIISA-N -1 0 324.331 2.491 20 10 DECDRM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2[O-])cc1 ZINC000849369367 651662281 /nfs/dbraw/zinc/66/22/81/651662281.db2.gz SDADCIGSCOAOGN-UHFFFAOYSA-N -1 0 320.414 2.279 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000852943656 652482265 /nfs/dbraw/zinc/48/22/65/652482265.db2.gz XBKMIECNPYFZGV-CQSZACIVSA-N -1 0 306.406 2.458 20 10 DECDRM Cc1cc(CNC(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC000864536904 686748656 /nfs/dbraw/zinc/74/86/56/686748656.db2.gz TUJQKHMSFOCIBS-GFCCVEGCSA-N -1 0 315.373 2.366 20 10 DECDRM COc1ccc(-n2[n-]c(C(C)=O)cc2=O)c(Br)c1 ZINC000871964125 688902854 /nfs/dbraw/zinc/90/28/54/688902854.db2.gz WOONMSSIACYHDV-UHFFFAOYSA-N -1 0 311.135 2.139 20 10 DECDRM CO[C@@H](C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-])C1CC1 ZINC001334842756 1150346604 /nfs/dbraw/zinc/34/66/04/1150346604.db2.gz ZUOMLRGKMWVABZ-STQMWFEESA-N -1 0 315.316 2.028 20 10 DECDRM CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001332013915 1149807961 /nfs/dbraw/zinc/80/79/61/1149807961.db2.gz RMPOIHPAYQXYHV-SECBINFHSA-N -1 0 306.131 2.247 20 10 DECDRM CC1(C)CCN(Cc2cc(F)cc(F)c2[O-])CC[S@]1=O ZINC000708401418 778072550 /nfs/dbraw/zinc/07/25/50/778072550.db2.gz RRKHBZKNHRTMCZ-HXUWFJFHSA-N -1 0 303.374 2.403 20 10 DECDRM O=C(Nc1cc(C2CC2)[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878388 791645361 /nfs/dbraw/zinc/64/53/61/791645361.db2.gz FBEPZNVCKGQFTH-UHFFFAOYSA-N -1 0 309.329 2.019 20 10 DECDRM O=C([O-])Cn1cc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001176273621 794401474 /nfs/dbraw/zinc/40/14/74/794401474.db2.gz OLCGODFPVDSZMV-UHFFFAOYSA-N -1 0 322.324 2.337 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001118221669 795167164 /nfs/dbraw/zinc/16/71/64/795167164.db2.gz HFFQAHKSVCUFMJ-BAXHPOPBSA-N -1 0 318.329 2.044 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@@H](C)C1 ZINC001139126818 796327487 /nfs/dbraw/zinc/32/74/87/796327487.db2.gz QWZBMDTXFNUJBM-NSHDSACASA-N -1 0 301.342 2.218 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2cncc2C1 ZINC001139132067 796331200 /nfs/dbraw/zinc/33/12/00/796331200.db2.gz SXPKBDPQLBUZPT-UHFFFAOYSA-N -1 0 311.341 2.019 20 10 DECDRM C[C@@H]1CN(C2CN(Cc3cc(Cl)ccc3O)C2)C[C@@H](C)O1 ZINC001203665602 796560151 /nfs/dbraw/zinc/56/01/51/796560151.db2.gz PAKKJVDPJMKHKG-VXGBXAGGSA-N -1 0 310.825 2.339 20 10 DECDRM Nc1ccc(N(CCO)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001213627679 801630445 /nfs/dbraw/zinc/63/04/45/801630445.db2.gz MPZFUUDKZQZKBY-UHFFFAOYSA-N -1 0 300.358 2.416 20 10 DECDRM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c(O)c1O ZINC001611167177 970920400 /nfs/dbraw/zinc/92/04/00/970920400.db2.gz DAALHYXBARADPM-NSHDSACASA-N -1 0 307.346 2.266 20 10 DECDRM Cn1cnc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594556530 955768446 /nfs/dbraw/zinc/76/84/46/955768446.db2.gz LKZUCJFSGVGTBZ-PSKZRQQASA-N -1 0 311.341 2.038 20 10 DECDRM O=C([O-])CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC001341328737 962127591 /nfs/dbraw/zinc/12/75/91/962127591.db2.gz YJNQHSFGJKQKFZ-UHFFFAOYSA-N -1 0 300.742 2.100 20 10 DECDRM CC(C)c1ccc(O)c(CN[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001588968916 962661821 /nfs/dbraw/zinc/66/18/21/962661821.db2.gz UPKLFNPAPVTIBX-OAHLLOKOSA-N -1 0 303.362 2.165 20 10 DECDRM CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001604190255 972625079 /nfs/dbraw/zinc/62/50/79/972625079.db2.gz OUEFNKXJOXSRCK-VQHVLOKHSA-N -1 0 301.298 2.355 20 10 DECDRM C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000708173654 977417194 /nfs/dbraw/zinc/41/71/94/977417194.db2.gz XWGSPBGSRSTNKD-YFKPBYRVSA-N -1 0 308.559 2.371 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001598317588 991304996 /nfs/dbraw/zinc/30/49/96/991304996.db2.gz JCLVOGMAVIQNIW-KRWDZBQOSA-N -1 0 319.405 2.149 20 10 DECDRM COc1ccc(CNC(=O)c2ccsc2CC(=O)[O-])c(O)c1 ZINC001599570695 998359395 /nfs/dbraw/zinc/35/93/95/998359395.db2.gz LIMBWGOJOVEGBO-UHFFFAOYSA-N -1 0 321.354 2.019 20 10 DECDRM C[C@@H]1CCCN(C(=O)COc2ccc(N(C)C)c(C(=O)[O-])c2)C1 ZINC001594378698 999427737 /nfs/dbraw/zinc/42/77/37/999427737.db2.gz QKZQMKARHKLSQI-GFCCVEGCSA-N -1 0 320.389 2.088 20 10 DECDRM Cc1cc(CC(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001328763065 1148832276 /nfs/dbraw/zinc/83/22/76/1148832276.db2.gz RMXVIOUAMIMEHW-GFCCVEGCSA-N -1 0 300.358 2.226 20 10 DECDRM COc1c([O-])c(C[NH2+]CC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001607048827 1071284664 /nfs/dbraw/zinc/28/46/64/1071284664.db2.gz CCJULOFULWMLMG-UHFFFAOYSA-N -1 0 324.333 2.044 20 10 DECDRM Cc1cc(CC(=O)NC[C@H](F)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001607635531 1071504118 /nfs/dbraw/zinc/50/41/18/1071504118.db2.gz BDGUTSFAOOTZPI-HNNXBMFYSA-N -1 0 318.348 2.176 20 10 DECDRM O=C(NCc1cccc(O)c1O)c1cc(F)c(F)c([O-])c1F ZINC001455318069 1057695574 /nfs/dbraw/zinc/69/55/74/1057695574.db2.gz ZPWRNGNIERFEAY-UHFFFAOYSA-N -1 0 313.231 2.151 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1[O-] ZINC001466791770 1059539117 /nfs/dbraw/zinc/53/91/17/1059539117.db2.gz ZIBOQBLRLDKCLY-SECBINFHSA-N -1 0 305.305 2.304 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cccnc1 ZINC001610780550 1078075504 /nfs/dbraw/zinc/07/55/04/1078075504.db2.gz YSHHYWJILWDNDM-UHFFFAOYSA-N -1 0 320.732 2.168 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C/c2cccn2C2CC2)SC1=S ZINC001327373869 1148540356 /nfs/dbraw/zinc/54/03/56/1148540356.db2.gz BCXHTOMVKULYSP-POHAHGRESA-N -1 0 308.384 2.109 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1C[C@@H](F)C[C@H]1CO ZINC001235300445 1084379120 /nfs/dbraw/zinc/37/91/20/1084379120.db2.gz YXFSFZQDXOIIPL-UWVGGRQHSA-N -1 0 322.149 2.199 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC2(COC2)C1 ZINC001235295723 1079011043 /nfs/dbraw/zinc/01/10/43/1079011043.db2.gz FKDFRCMFXMMLGZ-UHFFFAOYSA-N -1 0 302.143 2.126 20 10 DECDRM C[S@@](=O)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001558931914 1075109081 /nfs/dbraw/zinc/10/90/81/1075109081.db2.gz QREMKDSEFHCQHV-OAQYLSRUSA-N -1 0 309.318 2.227 20 10 DECDRM O=C(NCc1cccc(O)c1O)c1ccc2oc(=S)[n-]c2c1 ZINC001593739867 1077049283 /nfs/dbraw/zinc/04/92/83/1077049283.db2.gz YKYDVXVQLAXOTQ-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C/c2cccnc2C)n1 ZINC001600537886 1077218098 /nfs/dbraw/zinc/21/80/98/1077218098.db2.gz RNTYCPVYWDWGRN-CMDGGOBGSA-N -1 0 311.341 2.224 20 10 DECDRM O=C([O-])C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCCC1 ZINC001601239009 1077363859 /nfs/dbraw/zinc/36/38/59/1077363859.db2.gz QMUFZWPTCPCJJT-SOFGYWHQSA-N -1 0 319.357 2.405 20 10 DECDRM O=C([O-])c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001601360436 1077383469 /nfs/dbraw/zinc/38/34/69/1077383469.db2.gz AHSSOBSAZIIAON-UHFFFAOYSA-N -1 0 305.261 2.116 20 10 DECDRM O=C([O-])/C=C/c1ccc(C(=O)NCc2c(O)cccc2F)o1 ZINC001601873936 1077467250 /nfs/dbraw/zinc/46/72/50/1077467250.db2.gz ABVWRVOAVUWFRY-FNORWQNLSA-N -1 0 305.261 2.152 20 10 DECDRM Cn1cnc(/C=C/C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001608133651 1077597517 /nfs/dbraw/zinc/59/75/17/1077597517.db2.gz FMSSKUNICYSAAY-VOTSOKGWSA-N -1 0 311.341 2.111 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)NCc1ccco1 ZINC001609804266 1077926944 /nfs/dbraw/zinc/92/69/44/1077926944.db2.gz CJFMXWXNHYRFGZ-SSDOTTSWSA-N -1 0 312.372 2.231 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(O)c1O ZINC001610076305 1077976250 /nfs/dbraw/zinc/97/62/50/1077976250.db2.gz YCZWOIUEYWHHAF-UHFFFAOYSA-N -1 0 306.270 2.308 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001610121684 1077983555 /nfs/dbraw/zinc/98/35/55/1077983555.db2.gz DAJYJANRRHEWRS-UHFFFAOYSA-N -1 0 315.373 2.062 20 10 DECDRM Cc1cc(C(=O)CN(C)CC(=O)[O-])c(C)n1-c1cccc(F)c1 ZINC001610435091 1078019283 /nfs/dbraw/zinc/01/92/83/1078019283.db2.gz SPKKTAJGYPMEOW-UHFFFAOYSA-N -1 0 318.348 2.432 20 10 DECDRM CC(C)c1nnc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC001657728292 1080183466 /nfs/dbraw/zinc/18/34/66/1080183466.db2.gz JIPLLSXFYMFWOB-VIFPVBQESA-N -1 0 305.338 2.393 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617450 1080468724 /nfs/dbraw/zinc/46/87/24/1080468724.db2.gz QWZLIOWGRZYUEW-ONGXEEELSA-N -1 0 305.708 2.270 20 10 DECDRM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(Cl)c1[O-] ZINC001276380175 1083744573 /nfs/dbraw/zinc/74/45/73/1083744573.db2.gz ISWJEQRCNKOQQD-BETUJISGSA-N -1 0 323.824 2.422 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC001235304228 1084380660 /nfs/dbraw/zinc/38/06/60/1084380660.db2.gz VLFKMIUOHHXJSL-UWVGGRQHSA-N -1 0 302.143 2.267 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804430 1138794397 /nfs/dbraw/zinc/79/43/97/1138794397.db2.gz DOVKNLVAEBSPJO-KOLCDFICSA-N -1 0 305.708 2.270 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(F)c(Cl)cc1O ZINC001237935071 1138811099 /nfs/dbraw/zinc/81/10/99/1138811099.db2.gz PTXBFBZYNBNPAY-KCJUWKMLSA-N -1 0 305.708 2.270 20 10 DECDRM CC(C)C[C@H](CNC(=O)NCc1c(O)cccc1F)C(=O)[O-] ZINC001339876879 1143156095 /nfs/dbraw/zinc/15/60/95/1143156095.db2.gz PKNZQCIBAZUIDH-SNVBAGLBSA-N -1 0 312.341 2.077 20 10 DECDRM C[C@H]1C[C@@H]1c1nnc(-c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001256647459 1143859786 /nfs/dbraw/zinc/85/97/86/1143859786.db2.gz PYFASPRVRYMMKA-XPUUQOCRSA-N -1 0 300.270 2.378 20 10 DECDRM CC(C)CS(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCCC2 ZINC001259878064 1144152007 /nfs/dbraw/zinc/15/20/07/1144152007.db2.gz GPHXXNZPBNBKDF-UHFFFAOYSA-N -1 0 316.448 2.124 20 10 DECDRM Cc1ccc(C(=O)N=c2cc[nH]cc2OC(C)C)c([O-])c1O ZINC001304830650 1147361268 /nfs/dbraw/zinc/36/12/68/1147361268.db2.gz SYXDOZUQXBNLIU-UHFFFAOYSA-N -1 0 302.330 2.263 20 10 DECDRM CCCOc1ccc(C[NH2+]C[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC001353951833 1151863634 /nfs/dbraw/zinc/86/36/34/1151863634.db2.gz BHLUXWUTEOSUBK-QGZVFWFLSA-N -1 0 323.389 2.439 20 10 DECDRM NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCC2 ZINC000006471832 181343355 /nfs/dbraw/zinc/34/33/55/181343355.db2.gz RAMUELUJHREYST-UHFFFAOYSA-N -1 0 322.411 2.137 20 10 DECDRM O=C([O-])Cn1c(/C=C/c2cccnc2)nc2ccccc2c1=O ZINC000675725016 541376445 /nfs/dbraw/zinc/37/64/45/541376445.db2.gz SBYXAQGYYDDYDC-BQYQJAHWSA-N -1 0 307.309 2.047 20 10 DECDRM Cc1cc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)[nH]n1 ZINC000273041038 130084722 /nfs/dbraw/zinc/08/47/22/130084722.db2.gz VHTKCBRWTKBIEN-UHFFFAOYSA-N -1 0 315.373 2.458 20 10 DECDRM CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951576 131212405 /nfs/dbraw/zinc/21/24/05/131212405.db2.gz GEZXURYTQKLQFB-ZWNOBZJWSA-N -1 0 303.399 2.395 20 10 DECDRM Cc1ccc(C(=O)N(C)CC(F)(F)Br)c(O)c1O ZINC000291999888 404620806 /nfs/dbraw/zinc/62/08/06/404620806.db2.gz UTNWVQHUMVZEFZ-UHFFFAOYSA-N -1 0 324.121 2.466 20 10 DECDRM Cn1cc([C@H](NC(=O)c2cccc(O)c2O)c2ccccc2)cn1 ZINC000366730010 404838569 /nfs/dbraw/zinc/83/85/69/404838569.db2.gz NFLNYFRYRZUQNU-MRXNPFEDSA-N -1 0 323.352 2.351 20 10 DECDRM CN(CCS(C)(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000156085772 522925641 /nfs/dbraw/zinc/92/56/41/522925641.db2.gz AXRNUEGVKBZEBA-UHFFFAOYSA-N -1 0 312.218 2.175 20 10 DECDRM CC(C)(C)CCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000230012353 527672573 /nfs/dbraw/zinc/67/25/73/527672573.db2.gz UNDWZWRQBKPANX-UHFFFAOYSA-N -1 0 301.364 2.268 20 10 DECDRM COc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1O ZINC000738104401 599817290 /nfs/dbraw/zinc/81/72/90/599817290.db2.gz KYAQFXSBSBGTKV-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000737089027 599818258 /nfs/dbraw/zinc/81/82/58/599818258.db2.gz SAAILQSNLAPAIP-OAHLLOKOSA-N -1 0 321.421 2.441 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000319627374 600105876 /nfs/dbraw/zinc/10/58/76/600105876.db2.gz BJCDIMPHXYKCBD-JKSUJKDBSA-N -1 0 316.401 2.356 20 10 DECDRM CN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1O ZINC000737399828 600142816 /nfs/dbraw/zinc/14/28/16/600142816.db2.gz PVKCURGFEPYARE-UHFFFAOYSA-N -1 0 320.370 2.222 20 10 DECDRM CCCCN(CCO)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736993374 600670846 /nfs/dbraw/zinc/67/08/46/600670846.db2.gz BAKOQGGNXJGAGX-FNORWQNLSA-N -1 0 308.334 2.291 20 10 DECDRM C[C@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1)C(=O)[O-] ZINC000039557369 602094148 /nfs/dbraw/zinc/09/41/48/602094148.db2.gz HQNPFRQQMYKSJB-LOBLAWFCSA-N -1 0 309.368 2.027 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H](C)CC(=O)[O-])cc1F ZINC000829687117 602156353 /nfs/dbraw/zinc/15/63/53/602156353.db2.gz FVVZAJNHWADDRC-LLVKDONJSA-N -1 0 310.369 2.399 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNC(=O)[O-] ZINC000737475894 602279388 /nfs/dbraw/zinc/27/93/88/602279388.db2.gz BCKVDAZMPMTHCZ-UHFFFAOYSA-N -1 0 319.405 2.293 20 10 DECDRM C[C@@H](CC(=O)[O-])C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000827303150 602297143 /nfs/dbraw/zinc/29/71/43/602297143.db2.gz CBQUHNQJIAZSNU-NSHDSACASA-N -1 0 324.340 2.446 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2CC2)NC(=O)[O-])cc1 ZINC000828063785 603025884 /nfs/dbraw/zinc/02/58/84/603025884.db2.gz IJUFVEQWLJKYIL-HYJLXUOHSA-N -1 0 317.389 2.144 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828400381 603489937 /nfs/dbraw/zinc/48/99/37/603489937.db2.gz ZEJVACIYTKEEEI-AAEUAGOBSA-N -1 0 306.362 2.177 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829483792 603569932 /nfs/dbraw/zinc/56/99/32/603569932.db2.gz KZKUMPMFOBUVPT-MNOVXSKESA-N -1 0 322.361 2.111 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829483793 603570063 /nfs/dbraw/zinc/57/00/63/603570063.db2.gz KZKUMPMFOBUVPT-QWRGUYRKSA-N -1 0 322.361 2.111 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNC(=O)[O-])c1O ZINC000823626689 603752198 /nfs/dbraw/zinc/75/21/98/603752198.db2.gz ASAFYQLXIGXNLM-ZDUSSCGKSA-N -1 0 324.352 2.356 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000738042399 605155477 /nfs/dbraw/zinc/15/54/77/605155477.db2.gz VAVHWPDODXMZAV-GWCFXTLKSA-N -1 0 324.377 2.260 20 10 DECDRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000833776087 605528042 /nfs/dbraw/zinc/52/80/42/605528042.db2.gz ULRZZBMRTRPUAJ-YWEYNIOJSA-N -1 0 313.309 2.377 20 10 DECDRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1C ZINC000833836907 605700612 /nfs/dbraw/zinc/70/06/12/605700612.db2.gz FTAZZCLGSMRNLR-KRWDZBQOSA-N -1 0 321.421 2.361 20 10 DECDRM Cc1nccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894462429 637055645 /nfs/dbraw/zinc/05/56/45/637055645.db2.gz YLAZFSHQWAESQK-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894533760 637094914 /nfs/dbraw/zinc/09/49/14/637094914.db2.gz OYXUEKWFJKLWRV-OCCSQVGLSA-N -1 0 311.328 2.240 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894666022 637153710 /nfs/dbraw/zinc/15/37/10/637153710.db2.gz GTADTEPNGYPMCC-GFCCVEGCSA-N -1 0 319.373 2.070 20 10 DECDRM CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894904770 637319038 /nfs/dbraw/zinc/31/90/38/637319038.db2.gz MJFJVDQKGOQUSD-GFCCVEGCSA-N -1 0 319.373 2.070 20 10 DECDRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988799 650401515 /nfs/dbraw/zinc/40/15/15/650401515.db2.gz NINKYEYVWDAWDQ-SJKOYZFVSA-N -1 0 319.405 2.320 20 10 DECDRM Cc1cc(C(=O)NCc2nnn[n-]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749388526 638642223 /nfs/dbraw/zinc/64/22/23/638642223.db2.gz YPPWLCNMJGRQHF-UHFFFAOYSA-N -1 0 324.388 2.154 20 10 DECDRM CN(Cc1cnn(C)c1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000320423874 639033227 /nfs/dbraw/zinc/03/32/27/639033227.db2.gz TWDKEXCMABJTMH-GQCTYLIASA-N -1 0 316.317 2.063 20 10 DECDRM O=C1CN(Cc2c(O)cccc2Cl)CN1CC(F)(F)F ZINC000754157136 639395163 /nfs/dbraw/zinc/39/51/63/639395163.db2.gz ZEEKKEZLDWWILM-UHFFFAOYSA-N -1 0 308.687 2.210 20 10 DECDRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(O)cc3)cn21 ZINC000841676572 650536892 /nfs/dbraw/zinc/53/68/92/650536892.db2.gz XBNQFEVQIMKVHS-SNVBAGLBSA-N -1 0 307.375 2.287 20 10 DECDRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cccc2nonc21 ZINC000768287695 641066216 /nfs/dbraw/zinc/06/62/16/641066216.db2.gz YAUNDUDBSYVHEE-UHFFFAOYSA-N -1 0 317.326 2.054 20 10 DECDRM COCC1=CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000322525093 641182028 /nfs/dbraw/zinc/18/20/28/641182028.db2.gz UWAJEAHTVHAPKQ-HYXAFXHYSA-N -1 0 318.329 2.476 20 10 DECDRM C=Cn1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cn1 ZINC000772177887 641609263 /nfs/dbraw/zinc/60/92/63/641609263.db2.gz YAZMCUXCFJCGPV-POHAHGRESA-N -1 0 323.399 2.050 20 10 DECDRM COC1(CO)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000775204897 642016234 /nfs/dbraw/zinc/01/62/34/642016234.db2.gz SYLUKRKTUJEJAL-UHFFFAOYSA-N -1 0 303.761 2.158 20 10 DECDRM CCN(CC)C(=O)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775634244 642068901 /nfs/dbraw/zinc/06/89/01/642068901.db2.gz QCKBFPIJJJKPPF-UHFFFAOYSA-N -1 0 302.777 2.485 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2cccnn2)CC1 ZINC000775672639 642077069 /nfs/dbraw/zinc/07/70/69/642077069.db2.gz MNKOMHDIFXOADU-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM O=C(NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1[O-] ZINC000775780513 642093152 /nfs/dbraw/zinc/09/31/52/642093152.db2.gz QAQPMZIUDVBFQH-UHFFFAOYSA-N -1 0 307.733 2.429 20 10 DECDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2)c(F)c1 ZINC000776745442 642202884 /nfs/dbraw/zinc/20/28/84/642202884.db2.gz WZKGDHGOZDTBDA-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744743 642203337 /nfs/dbraw/zinc/20/33/37/642203337.db2.gz PDLVKVFVIDLCKI-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776751231 642204089 /nfs/dbraw/zinc/20/40/89/642204089.db2.gz RNJVFMRSDWQSFF-UHFFFAOYSA-N -1 0 313.766 2.132 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)ccc1O ZINC000901907638 642829658 /nfs/dbraw/zinc/82/96/58/642829658.db2.gz QFVQMUIVOGIHNL-UHFFFAOYSA-N -1 0 307.375 2.112 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)CC(F)(F)C2)c1[O-] ZINC000787441965 643495529 /nfs/dbraw/zinc/49/55/29/643495529.db2.gz RNQJIFMWJWHJPQ-SECBINFHSA-N -1 0 322.695 2.156 20 10 DECDRM CC(C)C(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157643 644081508 /nfs/dbraw/zinc/08/15/08/644081508.db2.gz ZDXUDBIFTOQGIO-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM O=C1OCC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN12 ZINC000792173442 644084483 /nfs/dbraw/zinc/08/44/83/644084483.db2.gz WJTMNKJZXQSCOE-VIFPVBQESA-N -1 0 314.744 2.211 20 10 DECDRM C/C=C/C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000797715788 644911601 /nfs/dbraw/zinc/91/16/01/644911601.db2.gz UJXVXSGGRZSVFN-IHVVCDCBSA-N -1 0 323.368 2.110 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000910386949 645436125 /nfs/dbraw/zinc/43/61/25/645436125.db2.gz VKXJULRSELSGRX-XCIQGZDESA-N -1 0 318.329 2.308 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000911492401 645723129 /nfs/dbraw/zinc/72/31/29/645723129.db2.gz FIAKVNFFRVRVID-BNOWGMLFSA-N -1 0 303.358 2.242 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000911492402 645723145 /nfs/dbraw/zinc/72/31/45/645723145.db2.gz FIAKVNFFRVRVID-IACUBPJLSA-N -1 0 303.358 2.242 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnsn1 ZINC000807836443 645995480 /nfs/dbraw/zinc/99/54/80/645995480.db2.gz WZADOMLTIIBHRF-UHFFFAOYSA-N -1 0 304.158 2.481 20 10 DECDRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000163945521 646409777 /nfs/dbraw/zinc/40/97/77/646409777.db2.gz JSEJLEUTGSHICW-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM COCC[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000812786786 646696297 /nfs/dbraw/zinc/69/62/97/646696297.db2.gz RGNDOMMTYXDQIN-GFCCVEGCSA-N -1 0 303.761 2.422 20 10 DECDRM COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)s1 ZINC000763114645 647434161 /nfs/dbraw/zinc/43/41/61/647434161.db2.gz RVBRVDONYZGULD-QPJJXVBHSA-N -1 0 315.397 2.043 20 10 DECDRM O=C(NCc1cc(=O)[nH]c(C2CCC2)n1)C1=CC(=O)CS1 ZINC000825304854 648738225 /nfs/dbraw/zinc/73/82/25/648738225.db2.gz LNHMXCBOTGXUDA-UHFFFAOYSA-N -1 0 305.359 2.147 20 10 DECDRM C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000831003822 649527613 /nfs/dbraw/zinc/52/76/13/649527613.db2.gz CDUJXGRRRUWQSO-WFASDCNBSA-N -1 0 319.405 2.005 20 10 DECDRM CC[C@]1(O)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209230 651092354 /nfs/dbraw/zinc/09/23/54/651092354.db2.gz IXXZEMZXYQEBGN-DRDHIDPGSA-N -1 0 306.318 2.044 20 10 DECDRM CN(C[C@@H]1CCC[C@H]1O)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213972 651094305 /nfs/dbraw/zinc/09/43/05/651094305.db2.gz BWMDDBQIURPUGL-KUELQNGQSA-N -1 0 320.345 2.290 20 10 DECDRM O=C([O-])CCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844252906 651099917 /nfs/dbraw/zinc/09/99/17/651099917.db2.gz SBUCFYRAYIDVDZ-UHFFFAOYSA-N -1 0 322.430 2.111 20 10 DECDRM Cc1cc(CN2CCOC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846225348 651316267 /nfs/dbraw/zinc/31/62/67/651316267.db2.gz NALZAULKZPKFIV-QGZVFWFLSA-N -1 0 318.417 2.271 20 10 DECDRM CC(C)c1nc(CN(C)c2ccc(OCC(=O)[O-])cc2)no1 ZINC000846279570 651320030 /nfs/dbraw/zinc/32/00/30/651320030.db2.gz GKAHNVCRJICGOB-UHFFFAOYSA-N -1 0 305.334 2.293 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000848579752 651474583 /nfs/dbraw/zinc/47/45/83/651474583.db2.gz OZWMMLZGZOHZCQ-OAHLLOKOSA-N -1 0 321.421 2.217 20 10 DECDRM C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000848586160 651476064 /nfs/dbraw/zinc/47/60/64/651476064.db2.gz HWAYMTJBLMADEW-GFCCVEGCSA-N -1 0 319.405 2.147 20 10 DECDRM [O-]c1c(Cl)cccc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848923170 651563610 /nfs/dbraw/zinc/56/36/10/651563610.db2.gz AHRMULSMFDMDDH-NSHDSACASA-N -1 0 308.769 2.305 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000849364835 651659772 /nfs/dbraw/zinc/65/97/72/651659772.db2.gz QQFHPLMMFGVYNP-HNNXBMFYSA-N -1 0 304.390 2.260 20 10 DECDRM C[C@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ncnn21 ZINC000850352292 651908325 /nfs/dbraw/zinc/90/83/25/651908325.db2.gz RETKMSZOFQHARV-OIBJUYFYSA-N -1 0 323.740 2.341 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000852943750 652482224 /nfs/dbraw/zinc/48/22/24/652482224.db2.gz YHEFGKBSDAIUTJ-ZUZCIYMTSA-N -1 0 321.373 2.469 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1F ZINC000852945945 652482642 /nfs/dbraw/zinc/48/26/42/652482642.db2.gz KRFSZUJHSXBQHU-HNNXBMFYSA-N -1 0 322.380 2.399 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077258327 683950575 /nfs/dbraw/zinc/95/05/75/683950575.db2.gz YWJYTBGFXXZLJN-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1O ZINC000136493597 684240180 /nfs/dbraw/zinc/24/01/80/684240180.db2.gz XNIKYKBHAGIDOS-UHFFFAOYSA-N -1 0 303.343 2.378 20 10 DECDRM COC[C@H](C)n1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000189855885 684390953 /nfs/dbraw/zinc/39/09/53/684390953.db2.gz BSVIBIWVYXZPFQ-JTQLQIEISA-N -1 0 306.322 2.316 20 10 DECDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)n1C ZINC000863407920 686493276 /nfs/dbraw/zinc/49/32/76/686493276.db2.gz UWCDQBSIGUWRLC-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ncc[n-]2)cc1 ZINC000866452637 687577806 /nfs/dbraw/zinc/57/78/06/687577806.db2.gz LDGSJAQCCJUUOX-UHFFFAOYSA-N -1 0 322.434 2.077 20 10 DECDRM Cc1noc(C)c1N(C)S(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000872357121 688986790 /nfs/dbraw/zinc/98/67/90/688986790.db2.gz RILRBXXRWZFHLL-UHFFFAOYSA-N -1 0 318.301 2.100 20 10 DECDRM CC[C@H](C)CN(C)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872929331 689122841 /nfs/dbraw/zinc/12/28/41/689122841.db2.gz LRVBZOCWIIARCK-ZDUSSCGKSA-N -1 0 322.405 2.091 20 10 DECDRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1O ZINC000874404026 689403192 /nfs/dbraw/zinc/40/31/92/689403192.db2.gz DGZDFOUKMYMPTI-VOMCLLRMSA-N -1 0 306.362 2.396 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nc[nH]n2)c1O ZINC000931134346 694324004 /nfs/dbraw/zinc/32/40/04/694324004.db2.gz MFFDTYMWOJWQHB-ZDUSSCGKSA-N -1 0 304.325 2.189 20 10 DECDRM Cc1c([C@H](C)NC(=O)NCc2c(O)cccc2F)cnn1C ZINC001334299527 1150263705 /nfs/dbraw/zinc/26/37/05/1150263705.db2.gz XBYGXONJCRVJON-VIFPVBQESA-N -1 0 306.341 2.134 20 10 DECDRM Cc1coc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c1C ZINC001350801590 1151402702 /nfs/dbraw/zinc/40/27/02/1151402702.db2.gz SIOMAIBDIKELFI-UHFFFAOYSA-N -1 0 303.314 2.329 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(O)c1[O-] ZINC001449125638 1185535498 /nfs/dbraw/zinc/53/54/98/1185535498.db2.gz UTILSBUFFIJGHD-UHFFFAOYSA-N -1 0 308.330 2.219 20 10 DECDRM Nc1ccc(N(CCO)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174504714 794003800 /nfs/dbraw/zinc/00/38/00/794003800.db2.gz ZINICNAKDJYZPL-UHFFFAOYSA-N -1 0 317.301 2.006 20 10 DECDRM O=C(Nc1nnc(C2=S=CC=C2)[n-]1)c1ccc2cnccc2c1 ZINC001182338508 795651559 /nfs/dbraw/zinc/65/15/59/795651559.db2.gz HGGPSBZIUNAVMC-UHFFFAOYSA-N -1 0 321.365 2.231 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC(=O)CC1 ZINC001139125361 796325978 /nfs/dbraw/zinc/32/59/78/796325978.db2.gz SPJRWIWDYKZBLU-UHFFFAOYSA-N -1 0 301.342 2.362 20 10 DECDRM O=C(NC[C@@H](CO)c1ccccc1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634445 797597483 /nfs/dbraw/zinc/59/74/83/797597483.db2.gz DFRAIHPZJZOVJV-LBPRGKRZSA-N -1 0 321.760 2.257 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@@](F)(CO)CC1 ZINC001193605880 797602062 /nfs/dbraw/zinc/60/20/62/797602062.db2.gz MPKCYJZGYXQNCP-AWEZNQCLSA-N -1 0 317.744 2.078 20 10 DECDRM O=C(NCc1nnn[n-]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279879 797865327 /nfs/dbraw/zinc/86/53/27/797865327.db2.gz USURTRKFXYAHBT-ISLYRVAYSA-N -1 0 323.316 2.251 20 10 DECDRM Nc1ccc(N(CCO)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC001215463699 801865530 /nfs/dbraw/zinc/86/55/30/801865530.db2.gz KHZKKAKKTDQPCZ-UHFFFAOYSA-N -1 0 308.284 2.376 20 10 DECDRM COC(=O)[C@H](C)N(C)Cc1c([O-])cc(Br)cc1F ZINC001233029364 802008212 /nfs/dbraw/zinc/00/82/12/802008212.db2.gz CIOCCYXDVZUWHE-ZETCQYMHSA-N -1 0 320.158 2.287 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001334841969 1150346676 /nfs/dbraw/zinc/34/66/76/1150346676.db2.gz SQWFNHDSOZSJLW-UHFFFAOYSA-N -1 0 318.142 2.248 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001595227839 949333239 /nfs/dbraw/zinc/33/32/39/949333239.db2.gz HQIFQGJKICNIFP-UHFFFAOYSA-N -1 0 312.325 2.316 20 10 DECDRM C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC001589328778 953935777 /nfs/dbraw/zinc/93/57/77/953935777.db2.gz JBHSSGYJZUJMEC-SKDRFNHKSA-N -1 0 318.333 2.174 20 10 DECDRM Cn1cnc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594556531 955768471 /nfs/dbraw/zinc/76/84/71/955768471.db2.gz LKZUCJFSGVGTBZ-UZYOAWRESA-N -1 0 311.341 2.038 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000033500547 957187147 /nfs/dbraw/zinc/18/71/47/957187147.db2.gz MNHPIRAMKNBFRZ-VUDGCMKMSA-N -1 0 320.345 2.434 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001594286324 957782613 /nfs/dbraw/zinc/78/26/13/957782613.db2.gz RSGXFWLCERXEOT-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(O)c1O ZINC001594344489 958317063 /nfs/dbraw/zinc/31/70/63/958317063.db2.gz ALTGZNGAFJXYSZ-UHTWSYAYSA-N -1 0 319.357 2.264 20 10 DECDRM COc1cccc(CNC(=O)C2(C(=O)[O-])CCCCC2)c1O ZINC001594128382 958647987 /nfs/dbraw/zinc/64/79/87/958647987.db2.gz NREMHZIMSFNHSK-UHFFFAOYSA-N -1 0 307.346 2.052 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001574332970 960898528 /nfs/dbraw/zinc/89/85/28/960898528.db2.gz JEPLJWQLBGMGOL-MLGOLLRUSA-N -1 0 318.417 2.219 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1F ZINC001520180874 962831133 /nfs/dbraw/zinc/83/11/33/962831133.db2.gz DQWDKNFBJCULNJ-BETUJISGSA-N -1 0 322.380 2.399 20 10 DECDRM CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000320598930 970683617 /nfs/dbraw/zinc/68/36/17/970683617.db2.gz PLBGADPDZCVZMQ-FVOPLDGLSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@@H](CSCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001592823931 979534132 /nfs/dbraw/zinc/53/41/32/979534132.db2.gz BJEMKLGIZUULDU-LBPRGKRZSA-N -1 0 324.446 2.165 20 10 DECDRM CN(C)c1ccc(OCCNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001598328288 991348030 /nfs/dbraw/zinc/34/80/30/991348030.db2.gz FQDFEKZJUWZLME-UHFFFAOYSA-N -1 0 324.377 2.354 20 10 DECDRM CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])C1 ZINC001599109385 997538997 /nfs/dbraw/zinc/53/89/97/997538997.db2.gz PWIWRZMONDJYJC-SUHUHFCYSA-N -1 0 311.353 2.279 20 10 DECDRM CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])C1 ZINC001599109384 997539318 /nfs/dbraw/zinc/53/93/18/997539318.db2.gz PWIWRZMONDJYJC-QKCSRTOESA-N -1 0 311.353 2.279 20 10 DECDRM O=C([O-])c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 ZINC001602433323 1069637116 /nfs/dbraw/zinc/63/71/16/1069637116.db2.gz WZXYPOARKBJALO-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM C/C(=C\C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001602951216 1069797207 /nfs/dbraw/zinc/79/72/07/1069797207.db2.gz INDQOPWGTCUWIX-YKWSONSWSA-N -1 0 309.325 2.095 20 10 DECDRM Cc1cc(NC(=O)NCc2c(O)cccc2F)ncc1C(=O)[O-] ZINC001607686934 1071527891 /nfs/dbraw/zinc/52/78/91/1071527891.db2.gz MRZBEYJIKOERSS-UHFFFAOYSA-N -1 0 319.292 2.255 20 10 DECDRM Cc1ccc2c(c1C(=O)[O-])N(C(=O)/C=C\c1cnccn1)CCC2 ZINC001607829704 1071571664 /nfs/dbraw/zinc/57/16/64/1071571664.db2.gz ZVPSSYCELDRNQH-SREVYHEPSA-N -1 0 323.352 2.476 20 10 DECDRM CN(C)C(=O)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001457514669 1057993672 /nfs/dbraw/zinc/99/36/72/1057993672.db2.gz PZPIWCAHAMIGCI-UHFFFAOYSA-N -1 0 318.304 2.191 20 10 DECDRM NC(=O)CN(Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001560629658 1075143961 /nfs/dbraw/zinc/14/39/61/1075143961.db2.gz ZBECQOLEGURMAS-UHFFFAOYSA-N -1 0 306.312 2.158 20 10 DECDRM Cc1cc(CN2CCOc3cc(N(C)C)ccc32)[nH]c1C(=O)[O-] ZINC001600196401 1077158431 /nfs/dbraw/zinc/15/84/31/1077158431.db2.gz RXTCHBAZUMJDKE-UHFFFAOYSA-N -1 0 315.373 2.486 20 10 DECDRM Cc1ccc(/C=C\C(=O)N(CC(=O)[O-])c2cccc(C)n2)cn1 ZINC001600396826 1077193163 /nfs/dbraw/zinc/19/31/63/1077193163.db2.gz DZTBGDBQQATBNU-HJWRWDBZSA-N -1 0 311.341 2.224 20 10 DECDRM Nc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001601215686 1077358286 /nfs/dbraw/zinc/35/82/86/1077358286.db2.gz GBTHESGJQZWWEL-CVEARBPZSA-N -1 0 310.353 2.241 20 10 DECDRM O=C([O-])c1cnc(NCc2cc(Br)ccc2O)nc1 ZINC001608978042 1077732353 /nfs/dbraw/zinc/73/23/53/1077732353.db2.gz SYGYRFNJAUCMII-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM CC(C)(NCc1ccc2c(c1)CCO2)c1nocc1C(=O)[O-] ZINC001609680747 1077900217 /nfs/dbraw/zinc/90/02/17/1077900217.db2.gz JVKVWHZGXBNHMR-UHFFFAOYSA-N -1 0 302.330 2.333 20 10 DECDRM C[C@@H]1CCCCN1C(=O)CSc1ncc(C(=O)[O-])s1 ZINC001609853401 1077938884 /nfs/dbraw/zinc/93/88/84/1077938884.db2.gz WKSKLYILICOKKC-MRVPVSSYSA-N -1 0 300.405 2.334 20 10 DECDRM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccn(C)n2)cc1 ZINC001609999545 1077965578 /nfs/dbraw/zinc/96/55/78/1077965578.db2.gz YMTVRNNUFXQLJY-INIZCTEOSA-N -1 0 316.405 2.182 20 10 DECDRM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC001650860099 1079775882 /nfs/dbraw/zinc/77/58/82/1079775882.db2.gz XYYWKJZAFXCQQK-UHFFFAOYSA-N -1 0 305.187 2.231 20 10 DECDRM COC(=O)Cc1cccc(NCc2ccc(F)c(F)c2[O-])n1 ZINC001659446822 1080241622 /nfs/dbraw/zinc/24/16/22/1080241622.db2.gz ITUGPVLFBKYQLZ-UHFFFAOYSA-N -1 0 308.284 2.393 20 10 DECDRM CCN(CC(=O)OC)Cc1cc(F)cc(Br)c1[O-] ZINC001235309033 1084382115 /nfs/dbraw/zinc/38/21/15/1084382115.db2.gz SQBOODZAILNIOP-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM CCNC(=O)[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237801379 1138792874 /nfs/dbraw/zinc/79/28/74/1138792874.db2.gz HROVIKPXKFMYMQ-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM O=S(=O)(NCc1cnoc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432826 1142430699 /nfs/dbraw/zinc/43/06/99/1142430699.db2.gz ONUOVZBDPNNKAS-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001252367335 1142694880 /nfs/dbraw/zinc/69/48/80/1142694880.db2.gz FHJOJIIHTKNLSG-UHFFFAOYSA-N -1 0 308.325 2.226 20 10 DECDRM COc1cc(C)cc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260441277 1144187193 /nfs/dbraw/zinc/18/71/93/1144187193.db2.gz ZPOGUOIAZGIHLK-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000187058759 402480516 /nfs/dbraw/zinc/48/05/16/402480516.db2.gz YUKCTGPYZMLESU-UHFFFAOYSA-N -1 0 323.418 2.469 20 10 DECDRM Cc1cc(C(=O)N(C)CCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000262869768 402735542 /nfs/dbraw/zinc/73/55/42/402735542.db2.gz IZEFMXWWTVIALN-UHFFFAOYSA-N -1 0 301.346 2.036 20 10 DECDRM CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000278799805 402872704 /nfs/dbraw/zinc/87/27/04/402872704.db2.gz XNAZZVBKXXVVEE-LBPRGKRZSA-N -1 0 317.838 2.445 20 10 DECDRM Cn1cc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)cn1 ZINC000366730005 404838774 /nfs/dbraw/zinc/83/87/74/404838774.db2.gz NFLNYFRYRZUQNU-INIZCTEOSA-N -1 0 323.352 2.351 20 10 DECDRM CN(C[C@H]1CCCO1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000314736657 599954445 /nfs/dbraw/zinc/95/44/45/599954445.db2.gz BGOFZCJPRKVXIP-HOSRBBHYSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@H](O)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736674876 600240840 /nfs/dbraw/zinc/24/08/40/600240840.db2.gz HCTASFDGMJZXSN-MZBZXASESA-N -1 0 320.345 2.290 20 10 DECDRM COC[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316101093 600559692 /nfs/dbraw/zinc/55/96/92/600559692.db2.gz IBKWUTOSAOQLSN-FHMRSRPSSA-N -1 0 306.318 2.165 20 10 DECDRM COCC(=O)Nc1ccc(OCc2cc(C(=O)[O-])oc2C)cc1 ZINC000737732435 600638985 /nfs/dbraw/zinc/63/89/85/600638985.db2.gz HQNCPIMTBZQWSH-UHFFFAOYSA-N -1 0 319.313 2.450 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832889952 602070918 /nfs/dbraw/zinc/07/09/18/602070918.db2.gz WUSBGEIHAUACEA-QGZVFWFLSA-N -1 0 319.405 2.067 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828400219 603489903 /nfs/dbraw/zinc/48/99/03/603489903.db2.gz UKLQIHFDQJBMFB-UHFFFAOYSA-N -1 0 304.302 2.025 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000829484152 603570038 /nfs/dbraw/zinc/57/00/38/603570038.db2.gz PUCFIBOCYXNKAF-GARJFASQSA-N -1 0 322.361 2.014 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830073308 603623508 /nfs/dbraw/zinc/62/35/08/603623508.db2.gz PXPNAGOHQQRRFL-GXTWGEPZSA-N -1 0 319.405 2.114 20 10 DECDRM C[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)C1CC1 ZINC000823687605 603681987 /nfs/dbraw/zinc/68/19/87/603681987.db2.gz XXILGMQICVYMEK-XHDPSFHLSA-N -1 0 319.405 2.224 20 10 DECDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1c(O)cccc1Cl ZINC000833504468 604767022 /nfs/dbraw/zinc/76/70/22/604767022.db2.gz BYWIDOXQEAXKFY-GFCCVEGCSA-N -1 0 301.770 2.356 20 10 DECDRM O=C([O-])Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000833291318 604916140 /nfs/dbraw/zinc/91/61/40/604916140.db2.gz XQVORBYIHABTKJ-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000833505920 605248017 /nfs/dbraw/zinc/24/80/17/605248017.db2.gz OPZIJFFRBLNYBO-GFCCVEGCSA-N -1 0 301.770 2.356 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000829483173 605523240 /nfs/dbraw/zinc/52/32/40/605523240.db2.gz FBUONWXLDOKMLP-GWCFXTLKSA-N -1 0 322.361 2.111 20 10 DECDRM O=C([O-])N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834184300 605990374 /nfs/dbraw/zinc/99/03/74/605990374.db2.gz ULVNNFKJRMVYEO-JTQLQIEISA-N -1 0 302.733 2.417 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1)c1cnc(Cl)c(F)c1 ZINC000311514553 625400324 /nfs/dbraw/zinc/40/03/24/625400324.db2.gz BXGNNJFWSLHHQA-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000317909745 625246148 /nfs/dbraw/zinc/24/61/48/625246148.db2.gz MXBAQUVGKIZURG-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)n1 ZINC000727241474 637791095 /nfs/dbraw/zinc/79/10/95/637791095.db2.gz QOBOXVVDCPVERN-UHFFFAOYSA-N -1 0 320.399 2.344 20 10 DECDRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988797 650401468 /nfs/dbraw/zinc/40/14/68/650401468.db2.gz NINKYEYVWDAWDQ-SJCJKPOMSA-N -1 0 319.405 2.320 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(F)c(O)c(F)c1 ZINC000749891374 638688699 /nfs/dbraw/zinc/68/86/99/638688699.db2.gz IKHRAMPOPYFSQI-WDZFZDKYSA-N -1 0 316.263 2.132 20 10 DECDRM COCCONC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805394012 641286425 /nfs/dbraw/zinc/28/64/25/641286425.db2.gz XZAKDUVMPCGFRU-UHFFFAOYSA-N -1 0 309.149 2.076 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnn(CC2CCC2)c1 ZINC000899352162 642040121 /nfs/dbraw/zinc/04/01/21/642040121.db2.gz ABNDAVWNWIGYGJ-SXGWCWSVSA-N -1 0 322.368 2.145 20 10 DECDRM O=C(N1CCCC1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775645328 642071585 /nfs/dbraw/zinc/07/15/85/642071585.db2.gz JSNGHJOKBZKTTB-UHFFFAOYSA-N -1 0 323.824 2.379 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000780578784 642645380 /nfs/dbraw/zinc/64/53/80/642645380.db2.gz YRAOWJHCMGYLHR-QGZVFWFLSA-N -1 0 319.405 2.114 20 10 DECDRM O=C(Nc1nc2c(s1)C(=O)CCC2)c1c(F)ccc(O)c1[O-] ZINC000788295951 643589651 /nfs/dbraw/zinc/58/96/51/643589651.db2.gz KJWUWWJGIJSLTM-UHFFFAOYSA-N -1 0 322.317 2.465 20 10 DECDRM O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(O)c1O ZINC000790561074 643866809 /nfs/dbraw/zinc/86/68/09/643866809.db2.gz RYLLDWLDDKCYME-UHFFFAOYSA-N -1 0 314.341 2.187 20 10 DECDRM C[C@H](C(=O)[O-])N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000797715279 644911741 /nfs/dbraw/zinc/91/17/41/644911741.db2.gz MRHLJKSYDGREJN-SNVBAGLBSA-N -1 0 323.368 2.039 20 10 DECDRM COc1cccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c1O ZINC000911336219 645678945 /nfs/dbraw/zinc/67/89/45/645678945.db2.gz BUDSOXUFWQERRE-UHFFFAOYSA-N -1 0 321.373 2.298 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC12CC2 ZINC000911360207 645683907 /nfs/dbraw/zinc/68/39/07/645683907.db2.gz OUEOZHNGPDRZTD-NSHDSACASA-N -1 0 309.749 2.259 20 10 DECDRM C[C@H](CC(=O)[O-])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000911451916 645714887 /nfs/dbraw/zinc/71/48/87/645714887.db2.gz RSYVSVPJQAARGL-NSHDSACASA-N -1 0 305.374 2.388 20 10 DECDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492803 645723352 /nfs/dbraw/zinc/72/33/52/645723352.db2.gz JNJJKUCFCOAYBP-VZZFWQQMSA-N -1 0 303.358 2.098 20 10 DECDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc2cccnc2c1O ZINC000911700538 645796743 /nfs/dbraw/zinc/79/67/43/645796743.db2.gz MWJNKZNPHVWKSO-SNVBAGLBSA-N -1 0 302.330 2.058 20 10 DECDRM COC(=O)N(C)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839925 645994989 /nfs/dbraw/zinc/99/49/89/645994989.db2.gz MXYNJEJPBCINDX-UHFFFAOYSA-N -1 0 321.160 2.013 20 10 DECDRM Cn1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000807833694 645995299 /nfs/dbraw/zinc/99/52/99/645995299.db2.gz DHUQZYTUCQOIGB-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc(CCO)nc2)c1[O-] ZINC000808432702 646083550 /nfs/dbraw/zinc/08/35/50/646083550.db2.gz XJXTUVOAOXAMCB-UHFFFAOYSA-N -1 0 323.736 2.496 20 10 DECDRM CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816502636 647143671 /nfs/dbraw/zinc/14/36/71/647143671.db2.gz JZLZJZQUZRFBIU-CYBMUJFWSA-N -1 0 300.761 2.141 20 10 DECDRM COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1n[nH]c(=O)[n-]1 ZINC000817298744 647261695 /nfs/dbraw/zinc/26/16/95/647261695.db2.gz PBZRVCARIJRYAH-LBPRGKRZSA-N -1 0 302.378 2.354 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000818623589 647490701 /nfs/dbraw/zinc/49/07/01/647490701.db2.gz IIUQZUWPEDWLKV-JTQLQIEISA-N -1 0 324.377 2.262 20 10 DECDRM O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(O)c1O ZINC000830468451 649449262 /nfs/dbraw/zinc/44/92/62/649449262.db2.gz NDKHSAXXDFQEJD-KCJUWKMLSA-N -1 0 319.279 2.328 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(O)c1 ZINC000185390722 649517212 /nfs/dbraw/zinc/51/72/12/649517212.db2.gz JRHJGRMPPPGUIS-NSHDSACASA-N -1 0 301.342 2.473 20 10 DECDRM CO[C@H](C)c1nsc(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000831352726 649576881 /nfs/dbraw/zinc/57/68/81/649576881.db2.gz AAQXYJQSRBPYHM-RXMQYKEDSA-N -1 0 313.310 2.048 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844208754 651092466 /nfs/dbraw/zinc/09/24/66/651092466.db2.gz HAHYBNFRNIKTDY-OYLQIYHASA-N -1 0 318.329 2.308 20 10 DECDRM C[C@H](O)C[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211296 651093379 /nfs/dbraw/zinc/09/33/79/651093379.db2.gz YHXRXOZBVHGGHW-VAFIWLDWSA-N -1 0 320.345 2.432 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C\c2cccc3c2CCC3)SC1=S ZINC000844275441 651102632 /nfs/dbraw/zinc/10/26/32/651102632.db2.gz XECGMWGAZXWOMP-KPKJPENVSA-N -1 0 319.407 2.461 20 10 DECDRM COCCN(CC1(CC(=O)[O-])CC1)c1ccc(OC)c(OC)c1 ZINC000846253764 651318181 /nfs/dbraw/zinc/31/81/81/651318181.db2.gz MCDSCHIDIMWJQM-UHFFFAOYSA-N -1 0 323.389 2.412 20 10 DECDRM CCCc1noc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000846279795 651319947 /nfs/dbraw/zinc/31/99/47/651319947.db2.gz LHHPBMFOMUNWLO-UHFFFAOYSA-N -1 0 305.334 2.122 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000846701939 651347164 /nfs/dbraw/zinc/34/71/64/651347164.db2.gz JSPNRATVYSVNAU-AXFHLTTASA-N -1 0 307.346 2.079 20 10 DECDRM CN1CCCc2cc(CNC(=O)CCCCC(=O)[O-])ccc21 ZINC000848448193 651459599 /nfs/dbraw/zinc/45/95/99/651459599.db2.gz JABFBHILMUNRQF-UHFFFAOYSA-N -1 0 304.390 2.330 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848586951 651475922 /nfs/dbraw/zinc/47/59/22/651475922.db2.gz FFYZDLDUIGYKJF-GFCCVEGCSA-N -1 0 308.378 2.425 20 10 DECDRM C[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(N(C)C)cc1 ZINC000849388173 651664061 /nfs/dbraw/zinc/66/40/61/651664061.db2.gz PYEWNBPNNIXRQE-GFCCVEGCSA-N -1 0 320.414 2.498 20 10 DECDRM COc1ccc(N2CC[C@H](NC(=O)CCCCC(=O)[O-])C2)cc1 ZINC000851695252 652208120 /nfs/dbraw/zinc/20/81/20/652208120.db2.gz BMVLDFIRHGDHNO-ZDUSSCGKSA-N -1 0 320.389 2.035 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1F ZINC000852946332 652482614 /nfs/dbraw/zinc/48/26/14/652482614.db2.gz PURDGPNJNAUUFD-MRXNPFEDSA-N -1 0 308.353 2.009 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000852952213 652483895 /nfs/dbraw/zinc/48/38/95/652483895.db2.gz VAYPAPDERXOLKU-HNNXBMFYSA-N -1 0 304.390 2.260 20 10 DECDRM CC[C@@H](C)[C@@H](C)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872909333 689117526 /nfs/dbraw/zinc/11/75/26/689117526.db2.gz KEWRRQLNBIOQHA-CHWSQXEVSA-N -1 0 322.405 2.137 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)NC(C)(C)C(C)C)cc1 ZINC000872978216 689132553 /nfs/dbraw/zinc/13/25/53/689132553.db2.gz IKOYGQHMNOORSK-UHFFFAOYSA-N -1 0 322.405 2.137 20 10 DECDRM C[C@@H](CSCC[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-] ZINC001332477696 1149862829 /nfs/dbraw/zinc/86/28/29/1149862829.db2.gz VMJSKZRYLWSGSE-QMMMGPOBSA-N -1 0 305.346 2.214 20 10 DECDRM [O-]c1cc(F)c(Br)cc1C[NH+]1CCC(O)CC1 ZINC001144299500 790849760 /nfs/dbraw/zinc/84/97/60/790849760.db2.gz YKJBWHHPXAKPML-UHFFFAOYSA-N -1 0 304.159 2.251 20 10 DECDRM C[C@H](NCc1ccc(Br)cc1O)c1nncn1C ZINC000691466216 785902432 /nfs/dbraw/zinc/90/24/32/785902432.db2.gz XYYIFWTYJAMRPN-QMMMGPOBSA-N -1 0 311.183 2.134 20 10 DECDRM O=C(Nc1cc2ccccn2n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880577 791646701 /nfs/dbraw/zinc/64/67/01/791646701.db2.gz DQKMTQXRVSINLC-UHFFFAOYSA-N -1 0 319.324 2.066 20 10 DECDRM COc1cc(N(CCO)c2ccc(N)cc2)ccc1C(=O)[O-] ZINC001174685398 794040419 /nfs/dbraw/zinc/04/04/19/794040419.db2.gz USYQIEUAFJSGEY-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ncc(F)cc1F ZINC001190174466 796954574 /nfs/dbraw/zinc/95/45/74/796954574.db2.gz YLOFNUXDMFEYON-UHFFFAOYSA-N -1 0 304.249 2.005 20 10 DECDRM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626574 797595172 /nfs/dbraw/zinc/59/51/72/797595172.db2.gz XDNHYOKHKCXIDF-GXTWGEPZSA-N -1 0 319.744 2.139 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(Cl)nc1 ZINC000085201093 797742818 /nfs/dbraw/zinc/74/28/18/797742818.db2.gz GLCMGNMNHAJJKD-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM COc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)nc1 ZINC001197137919 798147736 /nfs/dbraw/zinc/14/77/36/798147736.db2.gz YSUQQDFSPBWYNX-UHFFFAOYSA-N -1 0 317.370 2.275 20 10 DECDRM CN(C)c1cccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782155 798389933 /nfs/dbraw/zinc/38/99/33/798389933.db2.gz DDUZOSAJKNLCRX-UHFFFAOYSA-N -1 0 320.370 2.252 20 10 DECDRM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)c(F)c1 ZINC001198772436 798393357 /nfs/dbraw/zinc/39/33/57/798393357.db2.gz LEODJHSMZJMLSG-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM C[C@@H]1CN(C2CN(Cc3cccc(Cl)c3[O-])C2)C[C@H](C)O1 ZINC001231913710 801749958 /nfs/dbraw/zinc/74/99/58/801749958.db2.gz QEOSNUDHTMGOQH-TXEJJXNPSA-N -1 0 310.825 2.339 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1CO2 ZINC001233031653 802008335 /nfs/dbraw/zinc/00/83/35/802008335.db2.gz KDBCQZLKTDFOTB-IUCAKERBSA-N -1 0 302.143 2.267 20 10 DECDRM CC[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001589545715 955198402 /nfs/dbraw/zinc/19/84/02/955198402.db2.gz DXBDRKLIXQJJKL-ZETCQYMHSA-N -1 0 309.343 2.153 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC(=O)[O-] ZINC001594300895 957906821 /nfs/dbraw/zinc/90/68/21/957906821.db2.gz YVCZBBPVUHIFML-UHFFFAOYSA-N -1 0 314.341 2.111 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCC(=O)[O-] ZINC001353015189 962648448 /nfs/dbraw/zinc/64/84/48/962648448.db2.gz FJVQSKOLXKXWKL-ZDUSSCGKSA-N -1 0 321.421 2.156 20 10 DECDRM CC(C)O[C@]1(COc2ccc(N(C)C)c(C(=O)[O-])c2)CCOC1 ZINC001591694935 975514737 /nfs/dbraw/zinc/51/47/37/975514737.db2.gz DXYPIFPTPKMGQN-QGZVFWFLSA-N -1 0 323.389 2.414 20 10 DECDRM O=C([O-])CN(Cc1c(O)cccc1Br)C1CC1 ZINC000706621345 977356670 /nfs/dbraw/zinc/35/66/70/977356670.db2.gz BTVTZVWVVLXDSH-UHFFFAOYSA-N -1 0 300.152 2.204 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1nccc(C(=O)[O-])n1 ZINC001596365055 983858104 /nfs/dbraw/zinc/85/81/04/983858104.db2.gz ZFXPAOWOVOACNE-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001588937420 984615954 /nfs/dbraw/zinc/61/59/54/984615954.db2.gz GORPYBPRCMVPSM-HCYCVZQXSA-N -1 0 323.352 2.485 20 10 DECDRM CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc(C(=O)[O-])s1 ZINC001597844699 989558301 /nfs/dbraw/zinc/55/83/01/989558301.db2.gz QIPKLWOBVFWKTK-UHFFFAOYSA-N -1 0 314.348 2.426 20 10 DECDRM CN(C)c1ccc(OCc2cn3cccnc3n2)cc1C(=O)[O-] ZINC001598330395 991372083 /nfs/dbraw/zinc/37/20/83/991372083.db2.gz YHESBJNFMMBUTE-UHFFFAOYSA-N -1 0 312.329 2.073 20 10 DECDRM CN(Cc1cc(CO)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001598506530 992509953 /nfs/dbraw/zinc/50/99/53/992509953.db2.gz DMWFPCLZVMNAFK-UHFFFAOYSA-N -1 0 319.332 2.418 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)NCC(F)(F)F ZINC001593679987 996104990 /nfs/dbraw/zinc/10/49/90/996104990.db2.gz SEWOWQOSGSVKLK-SCSAIBSYSA-N -1 0 314.310 2.000 20 10 DECDRM COc1cc(O)c(C[NH2+]Cc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC001599446250 998013811 /nfs/dbraw/zinc/01/38/11/998013811.db2.gz QLDSFQOJGJAOGN-UHFFFAOYSA-N -1 0 321.329 2.299 20 10 DECDRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001604315191 1070321568 /nfs/dbraw/zinc/32/15/68/1070321568.db2.gz VOMVCHAHCINNPB-LLVKDONJSA-N -1 0 313.357 2.337 20 10 DECDRM C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC001604811146 1070502957 /nfs/dbraw/zinc/50/29/57/1070502957.db2.gz AOLGKKREBZXXEK-ATPLWMGHSA-N -1 0 304.302 2.108 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC001607170229 1071353817 /nfs/dbraw/zinc/35/38/17/1071353817.db2.gz DOLCUUIFQWTWNO-NXEZZACHSA-N -1 0 324.333 2.159 20 10 DECDRM COc1cccc(CNC(=O)c2ccsc2C(=O)[O-])c1O ZINC001607323546 1071409470 /nfs/dbraw/zinc/40/94/70/1071409470.db2.gz MAFSULMRMXKFPR-UHFFFAOYSA-N -1 0 307.327 2.091 20 10 DECDRM Cc1c(NCc2cc(Cl)c(F)cc2O)cnn1CC(=O)[O-] ZINC001607549920 1071475713 /nfs/dbraw/zinc/47/57/13/1071475713.db2.gz XJQYMFVJBPFZJW-UHFFFAOYSA-N -1 0 313.716 2.386 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC(=O)[O-])c1 ZINC001607633643 1071501581 /nfs/dbraw/zinc/50/15/81/1071501581.db2.gz PZAMHSGXBPAXBO-UHFFFAOYSA-N -1 0 314.341 2.063 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001607698786 1071531872 /nfs/dbraw/zinc/53/18/72/1071531872.db2.gz IKSOMYPWORIODF-UHFFFAOYSA-N -1 0 321.354 2.129 20 10 DECDRM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)c(O)c1O ZINC001607733199 1071539213 /nfs/dbraw/zinc/53/92/13/1071539213.db2.gz DCWBIYFUKXDCJP-UHFFFAOYSA-N -1 0 319.288 2.174 20 10 DECDRM Cc1ccc(C(=O)OCc2ccccc2CC(=O)[O-])c(O)c1O ZINC001607748179 1071544652 /nfs/dbraw/zinc/54/46/52/1071544652.db2.gz NFBWDGYBMITHMM-UHFFFAOYSA-N -1 0 316.309 2.390 20 10 DECDRM O=C(c1n[n-]c2ccccc2c1=O)N1Cc2cccc(O)c2C1 ZINC001455038131 1057650461 /nfs/dbraw/zinc/65/04/61/1057650461.db2.gz ZSBIOQQEGYXXPW-UHFFFAOYSA-N -1 0 307.309 2.197 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(=O)[nH]cn1 ZINC001468666929 1059828662 /nfs/dbraw/zinc/82/86/62/1059828662.db2.gz OJBMVEKIUCTIIA-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM O=C(NCc1ccc(O)cc1O)c1ccc2oc(=S)[n-]c2c1 ZINC001626837976 1078263790 /nfs/dbraw/zinc/26/37/90/1078263790.db2.gz MCODWFYKZDJJDN-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM NC(=O)c1csc(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC001560536476 1075142273 /nfs/dbraw/zinc/14/22/73/1075142273.db2.gz KPRRRLHOKKFVFF-UHFFFAOYSA-N -1 0 315.757 2.030 20 10 DECDRM Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC001600339837 1077183322 /nfs/dbraw/zinc/18/33/22/1077183322.db2.gz DEYMUHGBDCTMSH-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(C(=O)[O-])c1 ZINC001600483298 1077209208 /nfs/dbraw/zinc/20/92/08/1077209208.db2.gz WYCTVDVLGBDPBA-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(O)c2O)c1 ZINC001600517522 1077214847 /nfs/dbraw/zinc/21/48/47/1077214847.db2.gz UPGNFNXOZOQLEL-CYBMUJFWSA-N -1 0 315.325 2.352 20 10 DECDRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1O ZINC001601239034 1077363770 /nfs/dbraw/zinc/36/37/70/1077363770.db2.gz RJHRYJHSHGMPKW-FNORWQNLSA-N -1 0 315.281 2.154 20 10 DECDRM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)C1=CC(=O)CS1 ZINC001601872618 1077467211 /nfs/dbraw/zinc/46/72/11/1077467211.db2.gz PYHODMCSRNKNNH-CYBMUJFWSA-N -1 0 319.338 2.114 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881057 1077469194 /nfs/dbraw/zinc/46/91/94/1077469194.db2.gz MNHPIRAMKNBFRZ-VGVVRCBHSA-N -1 0 320.345 2.434 20 10 DECDRM Cc1ccncc1/C=C\C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001607896261 1077555266 /nfs/dbraw/zinc/55/52/66/1077555266.db2.gz AKKCQPPCKPZKOS-DAXSKMNVSA-N -1 0 323.352 2.476 20 10 DECDRM O=C([O-])c1cccc2c1CCN2C(=O)/C=C\c1cncc(O)c1 ZINC001608940601 1077725463 /nfs/dbraw/zinc/72/54/63/1077725463.db2.gz CZRKIYIERJNCGF-PLNGDYQASA-N -1 0 310.309 2.088 20 10 DECDRM C=CC(=O)Nc1ccc(O)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001650675532 1079767504 /nfs/dbraw/zinc/76/75/04/1079767504.db2.gz VYKUUYQFQKOBOD-UHFFFAOYSA-N -1 0 324.336 2.378 20 10 DECDRM O=C(Nc1cccc2c1OCCC2=O)c1c(F)ccc(O)c1[O-] ZINC001650905022 1079780352 /nfs/dbraw/zinc/78/03/52/1079780352.db2.gz URMGXUPXQOBDGN-UHFFFAOYSA-N -1 0 317.272 2.454 20 10 DECDRM O=C(Nc1cccc2[nH]c(=O)oc21)c1c(F)ccc(O)c1[O-] ZINC001648836706 1082102799 /nfs/dbraw/zinc/10/27/99/1082102799.db2.gz DAJLZSGNXHMAIG-UHFFFAOYSA-N -1 0 304.233 2.336 20 10 DECDRM O=C([N-]c1c2nonc2ccc1Cl)c1noc2c1COCC2 ZINC001128704357 1086340267 /nfs/dbraw/zinc/34/02/67/1086340267.db2.gz HMYXGUPKESKFAD-UHFFFAOYSA-N -1 0 320.692 2.189 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC001237624063 1138722322 /nfs/dbraw/zinc/72/23/22/1138722322.db2.gz WLJRFLGYDMXXRQ-VIFPVBQESA-N -1 0 300.761 2.237 20 10 DECDRM COCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383573 1142426059 /nfs/dbraw/zinc/42/60/59/1142426059.db2.gz AKKMHZMVHYQFBY-UHFFFAOYSA-N -1 0 314.190 2.014 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(Br)c1)C(F)(F)F ZINC001252347213 1142688087 /nfs/dbraw/zinc/68/80/87/1142688087.db2.gz OIKHUHBYWCRYNL-UHFFFAOYSA-N -1 0 320.086 2.416 20 10 DECDRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001339506203 1143045097 /nfs/dbraw/zinc/04/50/97/1143045097.db2.gz SWAPWMXOWHXRQB-LBPRGKRZSA-N -1 0 307.394 2.320 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1c(F)cccc1F ZINC001259062232 1144061943 /nfs/dbraw/zinc/06/19/43/1144061943.db2.gz ALCXVLAIELCZQQ-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(OC)c2)c1 ZINC000273299326 130104745 /nfs/dbraw/zinc/10/47/45/130104745.db2.gz AXJQZRXNKQWAHK-NSHDSACASA-N -1 0 316.357 2.433 20 10 DECDRM COCC[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293863732 403585320 /nfs/dbraw/zinc/58/53/20/403585320.db2.gz ILQDONQSCDMPDC-LLVKDONJSA-N -1 0 303.761 2.422 20 10 DECDRM C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)S1(=O)=O ZINC000290765583 404302490 /nfs/dbraw/zinc/30/24/90/404302490.db2.gz BTUKOSFGTUSNTL-AOOOYVTPSA-N -1 0 303.811 2.053 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000739625343 599779093 /nfs/dbraw/zinc/77/90/93/599779093.db2.gz OXLJFGZPLUMQKE-AGLBCWCQSA-N -1 0 320.345 2.291 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000319627368 600105896 /nfs/dbraw/zinc/10/58/96/600105896.db2.gz BJCDIMPHXYKCBD-HOTGVXAUSA-N -1 0 316.401 2.356 20 10 DECDRM Cc1ncccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000728910046 600109826 /nfs/dbraw/zinc/10/98/26/600109826.db2.gz LCUNTDIYCJVLAI-FLIBITNWSA-N -1 0 322.411 2.456 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000738043485 600452000 /nfs/dbraw/zinc/45/20/00/600452000.db2.gz AWOYAFIOFPCIJT-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM CN(Cc1cc[nH]n1)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC000737450767 600461442 /nfs/dbraw/zinc/46/14/42/600461442.db2.gz BJZGBRYMFYOJKA-HYXAFXHYSA-N -1 0 302.290 2.052 20 10 DECDRM O=C([O-])c1cc(C(=O)NCCCSc2nccs2)ccn1 ZINC000833140937 601246775 /nfs/dbraw/zinc/24/67/75/601246775.db2.gz XLWQIAXNILVNJD-UHFFFAOYSA-N -1 0 323.399 2.149 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832424969 604273929 /nfs/dbraw/zinc/27/39/29/604273929.db2.gz LYDSMFVFDAVPHS-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM C[C@@H]1COCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000399275976 604464736 /nfs/dbraw/zinc/46/47/36/604464736.db2.gz RUXWFSDHLWGQPR-TZNOJPMFSA-N -1 0 306.318 2.165 20 10 DECDRM C[C@H]1COCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000399275977 604465122 /nfs/dbraw/zinc/46/51/22/604465122.db2.gz RUXWFSDHLWGQPR-USEMIUTHSA-N -1 0 306.318 2.165 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cc1 ZINC000828068669 605583631 /nfs/dbraw/zinc/58/36/31/605583631.db2.gz UUZUKMNEHNAJEB-CYBMUJFWSA-N -1 0 307.394 2.051 20 10 DECDRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCc1ccccc1O ZINC000831718757 605828004 /nfs/dbraw/zinc/82/80/04/605828004.db2.gz CGYQCXGBFSAWBL-BNOWGMLFSA-N -1 0 318.373 2.320 20 10 DECDRM Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(C)c1O ZINC000013343815 622952097 /nfs/dbraw/zinc/95/20/97/622952097.db2.gz ZUKJOKHPIQXAAO-YHYXMXQVSA-N -1 0 323.395 2.295 20 10 DECDRM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1C ZINC000095471445 625677037 /nfs/dbraw/zinc/67/70/37/625677037.db2.gz GLTXLTOPLGGEDJ-GDNBJRDFSA-N -1 0 308.337 2.465 20 10 DECDRM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(F)c3[O-])[C@@H]2C1 ZINC000894096751 636113065 /nfs/dbraw/zinc/11/30/65/636113065.db2.gz ZOQYGRIGEWIXQF-BPLDGKMQSA-N -1 0 313.344 2.439 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000909452559 637627238 /nfs/dbraw/zinc/62/72/38/637627238.db2.gz FKDPYJHPOCELHS-NSHDSACASA-N -1 0 315.373 2.472 20 10 DECDRM CC(C)C1(O)CN(Cc2cccc(Br)c2[O-])C1 ZINC000839133350 637800673 /nfs/dbraw/zinc/80/06/73/637800673.db2.gz PLWWQPDZYZOKBV-UHFFFAOYSA-N -1 0 300.196 2.357 20 10 DECDRM COC(=O)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000895848161 638232231 /nfs/dbraw/zinc/23/22/31/638232231.db2.gz LTYAQEZLOQJPIO-QMMMGPOBSA-N -1 0 302.733 2.115 20 10 DECDRM COC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775657657 642074493 /nfs/dbraw/zinc/07/44/93/642074493.db2.gz FKDPDWWKPIBAHB-UHFFFAOYSA-N -1 0 302.733 2.069 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000780575282 642644740 /nfs/dbraw/zinc/64/47/40/642644740.db2.gz BAZRRKZEXVGKJG-UHFFFAOYSA-N -1 0 319.405 2.258 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000780575766 642644799 /nfs/dbraw/zinc/64/47/99/642644799.db2.gz FYRPFTOYTHAYPX-CQSZACIVSA-N -1 0 321.421 2.360 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)CCC(=O)[O-])c1 ZINC000911343650 645686010 /nfs/dbraw/zinc/68/60/10/645686010.db2.gz RNSDVTUPLSGYPX-JTQLQIEISA-N -1 0 309.362 2.469 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CC[C@H]1CCCCO1 ZINC000911484639 645720433 /nfs/dbraw/zinc/72/04/33/645720433.db2.gz DVLMVEFYXSTOEV-CQSZACIVSA-N -1 0 321.373 2.155 20 10 DECDRM C[C@@H]1CC[C@H](CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)O1 ZINC000911486494 645721125 /nfs/dbraw/zinc/72/11/25/645721125.db2.gz OIQOOHBRVAOGBB-TZMCWYRMSA-N -1 0 321.373 2.153 20 10 DECDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000844243431 651098189 /nfs/dbraw/zinc/09/81/89/651098189.db2.gz WVDZJGYYYWHDRT-SECBINFHSA-N -1 0 302.421 2.098 20 10 DECDRM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000844938040 651185547 /nfs/dbraw/zinc/18/55/47/651185547.db2.gz UEYPCCAGUCIYMV-VIFPVBQESA-N -1 0 302.714 2.249 20 10 DECDRM Cc1cc(CN2CCOC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846225347 651316492 /nfs/dbraw/zinc/31/64/92/651316492.db2.gz NALZAULKZPKFIV-KRWDZBQOSA-N -1 0 318.417 2.271 20 10 DECDRM CN(C[C@H](O)Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000846280493 651320407 /nfs/dbraw/zinc/32/04/07/651320407.db2.gz YECMQSDSSUAOND-MRXNPFEDSA-N -1 0 315.369 2.190 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000846702225 651347076 /nfs/dbraw/zinc/34/70/76/651347076.db2.gz LGQOTJXXCHJDIS-JTQLQIEISA-N -1 0 309.362 2.469 20 10 DECDRM CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848587061 651475879 /nfs/dbraw/zinc/47/58/79/651475879.db2.gz BQKPARNTZVIETO-OAHLLOKOSA-N -1 0 321.421 2.251 20 10 DECDRM COC[C@@H](C)n1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000189855903 684391095 /nfs/dbraw/zinc/39/10/95/684391095.db2.gz BSVIBIWVYXZPFQ-SNVBAGLBSA-N -1 0 306.322 2.316 20 10 DECDRM NC(=O)c1[nH]nc2ccc(NCc3ccc(F)c(F)c3[O-])cc21 ZINC000864030843 686603986 /nfs/dbraw/zinc/60/39/86/686603986.db2.gz RLYJJENTMDMFLK-UHFFFAOYSA-N -1 0 318.283 2.258 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1C ZINC000871961613 688901914 /nfs/dbraw/zinc/90/19/14/688901914.db2.gz MZVKHCXSDKVUTR-LURJTMIESA-N -1 0 300.236 2.006 20 10 DECDRM C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877424763 690108301 /nfs/dbraw/zinc/10/83/01/690108301.db2.gz OXKIVWSQQRNBSD-VIFPVBQESA-N -1 0 300.349 2.405 20 10 DECDRM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877463336 690120307 /nfs/dbraw/zinc/12/03/07/690120307.db2.gz FSKADHVHOHKGOY-DGCLKSJQSA-N -1 0 311.328 2.240 20 10 DECDRM CSc1ncc([O-])c(C(=O)NCc2c(C)cc(C)cc2O)n1 ZINC001185188348 796207082 /nfs/dbraw/zinc/20/70/82/796207082.db2.gz XRCOOCGOLHTCBV-UHFFFAOYSA-N -1 0 319.386 2.157 20 10 DECDRM Cc1cccc(CNC(=O)NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001191014306 797124078 /nfs/dbraw/zinc/12/40/78/797124078.db2.gz JJWGGAFLQXINLG-UHFFFAOYSA-N -1 0 314.341 2.088 20 10 DECDRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001152947445 797257458 /nfs/dbraw/zinc/25/74/58/797257458.db2.gz RDCSESYEGPBJNM-UHFFFAOYSA-N -1 0 301.298 2.187 20 10 DECDRM CCOC(CCNC(=O)c1cc(O)c([O-])c(Cl)c1)OCC ZINC001193624830 797595431 /nfs/dbraw/zinc/59/54/31/797595431.db2.gz AHULUDQXRBCUNF-UHFFFAOYSA-N -1 0 317.769 2.270 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246261 798032096 /nfs/dbraw/zinc/03/20/96/798032096.db2.gz MUXXKERNHYQMSM-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2cc(F)ccn2)cc1 ZINC001197137580 798147284 /nfs/dbraw/zinc/14/72/84/798147284.db2.gz WMSDTLUEERHUCP-UHFFFAOYSA-N -1 0 305.334 2.406 20 10 DECDRM COc1cccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001197136464 798147660 /nfs/dbraw/zinc/14/76/60/798147660.db2.gz FBWXWWTYXSCEET-UHFFFAOYSA-N -1 0 317.370 2.275 20 10 DECDRM Cc1noc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2O)n1 ZINC001231455435 801668658 /nfs/dbraw/zinc/66/86/58/801668658.db2.gz NULZNTXUPFDXDM-LBPRGKRZSA-N -1 0 303.318 2.119 20 10 DECDRM [O-]c1c(Cl)cccc1CN1Cc2ccnn2CC[C@@H]1CO ZINC001231914816 801749811 /nfs/dbraw/zinc/74/98/11/801749811.db2.gz RCOCQWNYXNOFKA-CYBMUJFWSA-N -1 0 307.781 2.009 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCN(C(C)=O)C1 ZINC001233496314 802133869 /nfs/dbraw/zinc/13/38/69/802133869.db2.gz RIQKDPWGYKYKMH-GFCCVEGCSA-N -1 0 321.373 2.470 20 10 DECDRM O=CNc1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001220283108 802439196 /nfs/dbraw/zinc/43/91/96/802439196.db2.gz JCRRYPCHSKOKNM-UHFFFAOYSA-N -1 0 303.293 2.421 20 10 DECDRM O=C([O-])C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001334406273 1150298883 /nfs/dbraw/zinc/29/88/83/1150298883.db2.gz AUDLBSBZMSMKBD-NSHDSACASA-N -1 0 322.311 2.414 20 10 DECDRM O=C([O-])CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001595018158 951301602 /nfs/dbraw/zinc/30/16/02/951301602.db2.gz PFFZDTUFIDIYOV-DJWKRKHSSA-N -1 0 319.357 2.214 20 10 DECDRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 ZINC001594919383 954796815 /nfs/dbraw/zinc/79/68/15/954796815.db2.gz VVYCDOLNFBZRJR-GEXIGZQTSA-N -1 0 309.325 2.095 20 10 DECDRM O=C([O-])[C@H]1CCCN1Cc1c(O)cccc1Br ZINC000706622535 954953089 /nfs/dbraw/zinc/95/30/89/954953089.db2.gz UMABSSPOQVLNRD-SNVBAGLBSA-N -1 0 300.152 2.204 20 10 DECDRM Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C(=O)[O-])C1 ZINC001594353201 958378871 /nfs/dbraw/zinc/37/88/71/958378871.db2.gz KGHZNAHMHCXPAA-UHFFFAOYSA-N -1 0 304.371 2.312 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001573777906 960707422 /nfs/dbraw/zinc/70/74/22/960707422.db2.gz JQONYXUZEHHPQY-UHFFFAOYSA-N -1 0 320.389 2.369 20 10 DECDRM CCC[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001595553398 981429129 /nfs/dbraw/zinc/42/91/29/981429129.db2.gz JDGFRIHNIAFNRF-CQSZACIVSA-N -1 0 306.322 2.222 20 10 DECDRM C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001594434589 999613572 /nfs/dbraw/zinc/61/35/72/999613572.db2.gz YPKMALFCRDXOIK-CLZWFORCSA-N -1 0 320.345 2.147 20 10 DECDRM O=C([O-])c1ccc(NCc2cccc(Br)c2O)nn1 ZINC001602382110 1069625367 /nfs/dbraw/zinc/62/53/67/1069625367.db2.gz YWZXUODUAWNDIF-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM O=C([O-])c1cnc(SCN2C(=O)c3ccccc3C2=O)s1 ZINC001602537249 1069667233 /nfs/dbraw/zinc/66/72/33/1069667233.db2.gz OTEJCAVARRDDMV-UHFFFAOYSA-N -1 0 320.351 2.187 20 10 DECDRM O=C([O-])c1cnc(S[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)s1 ZINC001602536961 1069667337 /nfs/dbraw/zinc/66/73/37/1069667337.db2.gz IPRCGZJLWJYLDV-XHNCKOQMSA-N -1 0 312.416 2.381 20 10 DECDRM C[C@](Cc1ccc(F)cc1)(NC(=O)C1=CC(=O)CS1)C(=O)[O-] ZINC001604223251 1070284574 /nfs/dbraw/zinc/28/45/74/1070284574.db2.gz YWQAYVSBHDIHQF-OAHLLOKOSA-N -1 0 323.345 2.409 20 10 DECDRM CC1(C)C[C@@H](O)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604518489 1070420125 /nfs/dbraw/zinc/42/01/25/1070420125.db2.gz ILYAOLVKIQQMFV-TXNVCOODSA-N -1 0 320.345 2.290 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607667472 1071518729 /nfs/dbraw/zinc/51/87/29/1071518729.db2.gz JDBOEMSQTTWFFO-OTVXOJSOSA-N -1 0 319.405 2.066 20 10 DECDRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c(O)c1O ZINC001607726121 1071538587 /nfs/dbraw/zinc/53/85/87/1071538587.db2.gz YGHFEOHTARZJAH-UHFFFAOYSA-N -1 0 315.325 2.133 20 10 DECDRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c(O)c1O ZINC001607734813 1071540587 /nfs/dbraw/zinc/54/05/87/1071540587.db2.gz IXQFLMMHDOLFEO-UHFFFAOYSA-N -1 0 317.297 2.122 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC001610720846 1078066934 /nfs/dbraw/zinc/06/69/34/1078066934.db2.gz WTROUWVSWTWZKR-JTQLQIEISA-N -1 0 300.152 2.108 20 10 DECDRM O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610742148 1078070804 /nfs/dbraw/zinc/07/08/04/1078070804.db2.gz NNWLNRZADAUORR-NXEZZACHSA-N -1 0 314.725 2.297 20 10 DECDRM Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cnc[n-]3)cc12 ZINC001622251719 1078186624 /nfs/dbraw/zinc/18/66/24/1078186624.db2.gz CRDLMIWOLRVVEJ-UHFFFAOYSA-N -1 0 305.359 2.286 20 10 DECDRM O=C(Nc1ccc(N2CCC2=O)cc1)c1c(F)ccc(O)c1[O-] ZINC001641504288 1078715703 /nfs/dbraw/zinc/71/57/03/1078715703.db2.gz ZYEUHBTWKUAJQZ-UHFFFAOYSA-N -1 0 316.288 2.226 20 10 DECDRM CO[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1F ZINC001235295727 1079010849 /nfs/dbraw/zinc/01/08/49/1079010849.db2.gz FLXOOFWIMRMZIN-QWRGUYRKSA-N -1 0 322.149 2.463 20 10 DECDRM COc1ccc(N(C)CC(=O)[N-]OCc2ccccc2)cc1 ZINC001559969980 1075131133 /nfs/dbraw/zinc/13/11/33/1075131133.db2.gz XMMKIYLKUNJTFJ-UHFFFAOYSA-N -1 0 300.358 2.379 20 10 DECDRM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nn[nH]n2)c1 ZINC001581557286 1076080006 /nfs/dbraw/zinc/08/00/06/1076080006.db2.gz IWSACEUSQWXZJU-HJWRWDBZSA-N -1 0 320.356 2.246 20 10 DECDRM Cc1c(NC(=O)c2cccc(O)c2O)ccc(F)c1C(=O)[O-] ZINC001600045728 1077129202 /nfs/dbraw/zinc/12/92/02/1077129202.db2.gz BJIFHJNWDKEJNL-UHFFFAOYSA-N -1 0 305.261 2.496 20 10 DECDRM NC(=O)c1ccc(CCSc2ncc(C(=O)[O-])s2)cc1 ZINC001601165852 1077349684 /nfs/dbraw/zinc/34/96/84/1077349684.db2.gz NHRLNYJGOYFXRR-UHFFFAOYSA-N -1 0 308.384 2.275 20 10 DECDRM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601660187 1077427027 /nfs/dbraw/zinc/42/70/27/1077427027.db2.gz QOYIKKWBIZBPCX-CQSZACIVSA-N -1 0 307.296 2.456 20 10 DECDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC001601867787 1077466429 /nfs/dbraw/zinc/46/64/29/1077466429.db2.gz PFDDXZJQVNQBQZ-GFCCVEGCSA-N -1 0 303.339 2.105 20 10 DECDRM O=C([O-])[C@H]1CN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc2O1 ZINC001608643995 1077669294 /nfs/dbraw/zinc/66/92/94/1077669294.db2.gz QUGDWSRGMWEEIN-LLVKDONJSA-N -1 0 323.301 2.085 20 10 DECDRM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001608704251 1077681334 /nfs/dbraw/zinc/68/13/34/1077681334.db2.gz YRJDQSFBNCELGY-VIFPVBQESA-N -1 0 303.330 2.063 20 10 DECDRM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001608816782 1077700519 /nfs/dbraw/zinc/70/05/19/1077700519.db2.gz FPIGVBUPLFOBPR-JZYVYDRUSA-N -1 0 302.157 2.461 20 10 DECDRM CC(C)(C(=O)[O-])[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001609651032 1077894794 /nfs/dbraw/zinc/89/47/94/1077894794.db2.gz IFQGDDHANUNKBT-UHFFFAOYSA-N -1 0 312.797 2.026 20 10 DECDRM O=C1NCCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001663685635 1080801588 /nfs/dbraw/zinc/80/15/88/1080801588.db2.gz IZCKBHPNANPAIC-OAHLLOKOSA-N -1 0 318.323 2.344 20 10 DECDRM Cc1ccc(O)c(CNS(=O)(=O)c2cc([O-])cc(F)c2)c1 ZINC001665128471 1080992030 /nfs/dbraw/zinc/99/20/30/1080992030.db2.gz KCQHOAAIQOQJER-UHFFFAOYSA-N -1 0 311.334 2.024 20 10 DECDRM O=C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235293997 1084374618 /nfs/dbraw/zinc/37/46/18/1084374618.db2.gz DSCVDJOIMXPMTE-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM COc1ccc(CN2CCc3c(cnn3C)C2)c([O-])c1Cl ZINC001236806477 1138434005 /nfs/dbraw/zinc/43/40/05/1138434005.db2.gz AEMIYFGCKNHKRW-UHFFFAOYSA-N -1 0 307.781 2.346 20 10 DECDRM O=C([O-])c1cnc(F)c(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001244762327 1140447943 /nfs/dbraw/zinc/44/79/43/1140447943.db2.gz HSMQDGYGLMMQHC-UHFFFAOYSA-N -1 0 316.210 2.310 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@]1(F)CCOC1 ZINC001323278743 1141836386 /nfs/dbraw/zinc/83/63/86/1141836386.db2.gz POVATFKHVZDNKQ-LBPRGKRZSA-N -1 0 308.136 2.444 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1Br)C(F)F ZINC001259959770 1144164366 /nfs/dbraw/zinc/16/43/66/1144164366.db2.gz XRSCVXUHDWIYLD-UHFFFAOYSA-N -1 0 302.096 2.119 20 10 DECDRM C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260435066 1144186901 /nfs/dbraw/zinc/18/69/01/1144186901.db2.gz OMNUWKWEKNEEDJ-VIFPVBQESA-N -1 0 319.342 2.077 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000274132613 403029569 /nfs/dbraw/zinc/02/95/69/403029569.db2.gz PMDQZFFIRFZLQQ-NSHDSACASA-N -1 0 303.811 2.055 20 10 DECDRM C[C@H]1CCS(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000192058971 524323944 /nfs/dbraw/zinc/32/39/44/524323944.db2.gz UYUFXMBDWBMZMI-JTQLQIEISA-N -1 0 303.811 2.055 20 10 DECDRM Cc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)c(O)c1O ZINC000738547778 599999290 /nfs/dbraw/zinc/99/92/90/599999290.db2.gz XCISKHSGSLMVOE-UHFFFAOYSA-N -1 0 302.282 2.461 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736471680 600068541 /nfs/dbraw/zinc/06/85/41/600068541.db2.gz LPPMAJARMXHEQD-LSDHHAIUSA-N -1 0 304.390 2.210 20 10 DECDRM Cc1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000315657832 600678668 /nfs/dbraw/zinc/67/86/68/600678668.db2.gz NPRBXTMOIZCGRZ-UHFFFAOYSA-N -1 0 321.354 2.129 20 10 DECDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C\c2cncc(F)c2)n1 ZINC000738719833 601014976 /nfs/dbraw/zinc/01/49/76/601014976.db2.gz KNSWTXQZROVUCJ-WAYWQWQTSA-N -1 0 315.304 2.055 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000320633442 601125977 /nfs/dbraw/zinc/12/59/77/601125977.db2.gz CCRFOPMZXMRCKJ-KGLIPLIRSA-N -1 0 304.390 2.260 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000830073326 602947588 /nfs/dbraw/zinc/94/75/88/602947588.db2.gz QCEHHFIARJMFJV-UHFFFAOYSA-N -1 0 319.405 2.067 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCC2)NC(=O)[O-])cc1 ZINC000828056507 603969614 /nfs/dbraw/zinc/96/96/14/603969614.db2.gz RDHSKEOUNSAGLZ-CQSZACIVSA-N -1 0 319.405 2.368 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826912311 604219580 /nfs/dbraw/zinc/21/95/80/604219580.db2.gz WPOMZUJTLCASDJ-LBPRGKRZSA-N -1 0 308.378 2.377 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1F ZINC000830639330 604675379 /nfs/dbraw/zinc/67/53/79/604675379.db2.gz DJTARXMTCMGBDX-GFCCVEGCSA-N -1 0 323.368 2.040 20 10 DECDRM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833553684 604677341 /nfs/dbraw/zinc/67/73/41/604677341.db2.gz HOFYIZVXHCIIAP-CYBMUJFWSA-N -1 0 314.179 2.451 20 10 DECDRM C[C@@H]1CCOCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833616320 605051718 /nfs/dbraw/zinc/05/17/18/605051718.db2.gz AUCINWOJBICPLE-USEMIUTHSA-N -1 0 306.318 2.308 20 10 DECDRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000833488323 605525882 /nfs/dbraw/zinc/52/58/82/605525882.db2.gz OJZPQNKFMSHEJA-XQRVVYSFSA-N -1 0 307.346 2.070 20 10 DECDRM CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCN(C(=O)[O-])C1 ZINC000833853177 605837280 /nfs/dbraw/zinc/83/72/80/605837280.db2.gz GZJOOIOKWZHANA-NSHDSACASA-N -1 0 322.361 2.011 20 10 DECDRM CCOC(=O)[C@@H](C)NCc1cccc(Br)c1[O-] ZINC000049370798 623792686 /nfs/dbraw/zinc/79/26/86/623792686.db2.gz KDQVJBPHWLVYIA-MRVPVSSYSA-N -1 0 302.168 2.196 20 10 DECDRM Cc1cnccc1CCNC(=O)NCc1c(O)cccc1F ZINC000921643434 634036137 /nfs/dbraw/zinc/03/61/37/634036137.db2.gz FCPMXTQFOMITHZ-UHFFFAOYSA-N -1 0 303.337 2.277 20 10 DECDRM CCCN(CC(=O)OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000178870520 636466717 /nfs/dbraw/zinc/46/67/17/636466717.db2.gz KEGUVQGEYWXZJV-UHFFFAOYSA-N -1 0 316.741 2.339 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000895118380 637590240 /nfs/dbraw/zinc/59/02/40/637590240.db2.gz HNYQYRLVTSPPLL-XHNCKOQMSA-N -1 0 300.761 2.282 20 10 DECDRM COCc1ncc2c(n1)CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC000895416861 638012418 /nfs/dbraw/zinc/01/24/18/638012418.db2.gz FAYSGZVXRROIKY-UHFFFAOYSA-N -1 0 321.327 2.165 20 10 DECDRM Cc1cc([N+](=O)[O-])ccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000758062387 639911382 /nfs/dbraw/zinc/91/13/82/639911382.db2.gz JXUJUNOJUFFWTL-XNTDXEJSSA-N -1 0 323.308 2.365 20 10 DECDRM COc1ccsc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000764431437 640635024 /nfs/dbraw/zinc/63/50/24/640635024.db2.gz CRYBESJCVFFAMF-PKNBQFBNSA-N -1 0 300.339 2.218 20 10 DECDRM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1F ZINC000729674152 640826846 /nfs/dbraw/zinc/82/68/46/640826846.db2.gz DCFIKHCKNOPSPD-BJMVGYQFSA-N -1 0 311.359 2.420 20 10 DECDRM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775653690 642073272 /nfs/dbraw/zinc/07/32/72/642073272.db2.gz MZQMGQYNYRMNGP-CYBMUJFWSA-N -1 0 312.772 2.428 20 10 DECDRM CCC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780349260 642615309 /nfs/dbraw/zinc/61/53/09/642615309.db2.gz FXOIYBLWBXHTNC-MRXNPFEDSA-N -1 0 307.394 2.195 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000788267524 643584181 /nfs/dbraw/zinc/58/41/81/643584181.db2.gz UILVOZBNHIWYID-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1O ZINC000790417070 643849908 /nfs/dbraw/zinc/84/99/08/643849908.db2.gz GERKHHCXTBUXEJ-UHFFFAOYSA-N -1 0 323.370 2.470 20 10 DECDRM O=C([O-])c1coc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000911451229 645714631 /nfs/dbraw/zinc/71/46/31/645714631.db2.gz LKWYODJUTJYAQV-UHFFFAOYSA-N -1 0 315.325 2.492 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CN=c1ncnc2[nH][nH]cc1-2 ZINC000806557989 645846380 /nfs/dbraw/zinc/84/63/80/645846380.db2.gz OCORCNYRZJJHNT-UHFFFAOYSA-N -1 0 310.144 2.351 20 10 DECDRM Cn1nccc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840087 645995402 /nfs/dbraw/zinc/99/54/02/645995402.db2.gz XTYLCWBMTMCKBB-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM COC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816494337 647142034 /nfs/dbraw/zinc/14/20/34/647142034.db2.gz HNWCLQAXBIGUIU-UHFFFAOYSA-N -1 0 302.733 2.069 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)cc1F ZINC000826941293 648950384 /nfs/dbraw/zinc/95/03/84/648950384.db2.gz HWAUZGLFHJHMMN-UHFFFAOYSA-N -1 0 320.368 2.041 20 10 DECDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000184766553 649370725 /nfs/dbraw/zinc/37/07/25/649370725.db2.gz IQNBRNWNRVUFKZ-UHFFFAOYSA-N -1 0 304.327 2.073 20 10 DECDRM CN(CC1(O)CCC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844214812 651094343 /nfs/dbraw/zinc/09/43/43/651094343.db2.gz VDIQTOCGIIABDW-XQRVVYSFSA-N -1 0 306.318 2.044 20 10 DECDRM CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H](C)C(=O)[O-] ZINC000851696590 652208251 /nfs/dbraw/zinc/20/82/51/652208251.db2.gz UNJZRKAMKOHQOK-ZDUSSCGKSA-N -1 0 315.373 2.424 20 10 DECDRM C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000861449813 686126614 /nfs/dbraw/zinc/12/66/14/686126614.db2.gz YQGSDMUHBGYGFM-DOMZBBRYSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000861449816 686127355 /nfs/dbraw/zinc/12/73/55/686127355.db2.gz YQGSDMUHBGYGFM-SWLSCSKDSA-N -1 0 319.405 2.005 20 10 DECDRM CN(Cc1cn(C(C)(C)C)nn1)c1ccc(OCC(=O)[O-])cc1 ZINC000863467131 686504610 /nfs/dbraw/zinc/50/46/10/686504610.db2.gz OJDBMIHKGBWPKN-UHFFFAOYSA-N -1 0 318.377 2.133 20 10 DECDRM CCOCc1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])no1 ZINC000877542445 690146266 /nfs/dbraw/zinc/14/62/66/690146266.db2.gz YZWHYDDLOCFSJN-MRVPVSSYSA-N -1 0 313.304 2.441 20 10 DECDRM Cc1cc(C)c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)[nH]1 ZINC001332666077 1149877994 /nfs/dbraw/zinc/87/79/94/1149877994.db2.gz SRKIEIUMUIJSDG-UHFFFAOYSA-N -1 0 302.330 2.064 20 10 DECDRM O=C(C1CCC1)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142527159 780794927 /nfs/dbraw/zinc/79/49/27/780794927.db2.gz MPPNXYVKBVJQMX-UHFFFAOYSA-N -1 0 310.344 2.115 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001138152127 796171948 /nfs/dbraw/zinc/17/19/48/796171948.db2.gz AVARMOSYXFUIIM-QMMMGPOBSA-N -1 0 323.295 2.443 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2ncncc2C1 ZINC001139128848 796329455 /nfs/dbraw/zinc/32/94/55/796329455.db2.gz GOXYSHKXGCKIEP-UHFFFAOYSA-N -1 0 323.352 2.155 20 10 DECDRM O=C(Nc1ncnc2[nH]ccc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193589585 797589507 /nfs/dbraw/zinc/58/95/07/797589507.db2.gz MOUDTCYVUJPURG-UHFFFAOYSA-N -1 0 304.693 2.275 20 10 DECDRM Cc1ncsc1CCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193635179 797597594 /nfs/dbraw/zinc/59/75/94/797597594.db2.gz PYNCTCHRNUCGSN-UHFFFAOYSA-N -1 0 312.778 2.489 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC001197130864 798145457 /nfs/dbraw/zinc/14/54/57/798145457.db2.gz NYLRHHGCHUJFOC-UHFFFAOYSA-N -1 0 305.334 2.406 20 10 DECDRM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231565366 801688389 /nfs/dbraw/zinc/68/83/89/801688389.db2.gz UTNJWCLJYSZVIB-BXUZGUMPSA-N -1 0 321.373 2.254 20 10 DECDRM CCOc1ccc(C(=O)[O-])cc1N(CCO)c1ccc(N)cc1 ZINC001214273896 801697509 /nfs/dbraw/zinc/69/75/09/801697509.db2.gz XBBZNURGKCEEHI-UHFFFAOYSA-N -1 0 316.357 2.496 20 10 DECDRM O=C1CN(Cc2cccc(Cl)c2[O-])CCN1c1ccccn1 ZINC001231914566 801749788 /nfs/dbraw/zinc/74/97/88/801749788.db2.gz OEEHYTZGIFTJFV-UHFFFAOYSA-N -1 0 317.776 2.289 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cc(F)c([O-])cc1F ZINC001215573207 801879183 /nfs/dbraw/zinc/87/91/83/801879183.db2.gz GXVNFBKZDYYJTI-UHFFFAOYSA-N -1 0 314.313 2.350 20 10 DECDRM C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C(=O)[O-] ZINC001589328768 953935772 /nfs/dbraw/zinc/93/57/72/953935772.db2.gz JBHSSGYJZUJMEC-BXKDBHETSA-N -1 0 318.333 2.174 20 10 DECDRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001594919122 954792675 /nfs/dbraw/zinc/79/26/75/954792675.db2.gz BALCVOWRBZOBMG-LLYBFZRZSA-N -1 0 324.336 2.406 20 10 DECDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc2cccnc2c1O ZINC001589217705 956738038 /nfs/dbraw/zinc/73/80/38/956738038.db2.gz OBCGBROLCGDPLZ-QGZVFWFLSA-N -1 0 314.341 2.058 20 10 DECDRM CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1O)C(=O)[O-] ZINC001339810557 957880369 /nfs/dbraw/zinc/88/03/69/957880369.db2.gz GCNVUDIYYAUDFY-JTQLQIEISA-N -1 0 314.769 2.202 20 10 DECDRM COc1cccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1O ZINC001574231810 960408221 /nfs/dbraw/zinc/40/82/21/960408221.db2.gz DQPMQTNXGPVNDG-VURMDHGXSA-N -1 0 317.297 2.022 20 10 DECDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000317605566 970373157 /nfs/dbraw/zinc/37/31/57/970373157.db2.gz CEEBZHHYFHEVNT-JTQLQIEISA-N -1 0 307.346 2.061 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001605296595 973108962 /nfs/dbraw/zinc/10/89/62/973108962.db2.gz MMNLWIYFXFFSNF-HWKANZROSA-N -1 0 301.298 2.321 20 10 DECDRM C[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715759492 977781500 /nfs/dbraw/zinc/78/15/00/977781500.db2.gz ANXYBJGKIHNGIN-ZCFIWIBFSA-N -1 0 306.131 2.199 20 10 DECDRM CC[C@H](F)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595224793 980070402 /nfs/dbraw/zinc/07/04/02/980070402.db2.gz HATUYDMOGHBBKU-JTQLQIEISA-N -1 0 303.717 2.207 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596288271 983707710 /nfs/dbraw/zinc/70/77/10/983707710.db2.gz JMNLYUFSQFEADK-UKRRQHHQSA-N -1 0 319.405 2.053 20 10 DECDRM C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C(=O)[O-])O1 ZINC001599930055 985295503 /nfs/dbraw/zinc/29/55/03/985295503.db2.gz MVWMGEIHAFWZNM-HZMBPMFUSA-N -1 0 323.389 2.069 20 10 DECDRM CCOc1cccc(CNc2cccc(CC(=O)[O-])n2)c1O ZINC001597154816 986942946 /nfs/dbraw/zinc/94/29/46/986942946.db2.gz AUEVTLBCUMOPGR-UHFFFAOYSA-N -1 0 302.330 2.425 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1ccc(F)cc1C(N)=O ZINC001597772135 989234532 /nfs/dbraw/zinc/23/45/32/989234532.db2.gz JEWYITRRVMQGSZ-UHFFFAOYSA-N -1 0 307.277 2.357 20 10 DECDRM CC(C)(O)[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590893792 990833628 /nfs/dbraw/zinc/83/36/28/990833628.db2.gz PUDSHYWCMFIYCP-TXNVCOODSA-N -1 0 320.345 2.290 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)NC1CCCC1 ZINC001593679673 996102697 /nfs/dbraw/zinc/10/26/97/996102697.db2.gz OPJBQWVWHPFGDS-SSDOTTSWSA-N -1 0 300.405 2.381 20 10 DECDRM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001599149332 998266979 /nfs/dbraw/zinc/26/69/79/998266979.db2.gz DUMNYZUVCBKZQY-ZDUSSCGKSA-N -1 0 305.733 2.154 20 10 DECDRM C[C@H]1CCCN(C(=O)COc2ccc(N(C)C)c(C(=O)[O-])c2)C1 ZINC001594378699 999427773 /nfs/dbraw/zinc/42/77/73/999427773.db2.gz QKZQMKARHKLSQI-LBPRGKRZSA-N -1 0 320.389 2.088 20 10 DECDRM O=C([O-])c1cnc(SC[C@H](O)COc2ccccc2)s1 ZINC001602537630 1069667384 /nfs/dbraw/zinc/66/73/84/1069667384.db2.gz YGBIAZSTPQWFKQ-SECBINFHSA-N -1 0 311.384 2.373 20 10 DECDRM CC(C)S(=O)(=O)CCCSc1ncc(C(=O)[O-])s1 ZINC001603959919 1070159745 /nfs/dbraw/zinc/15/97/45/1070159745.db2.gz KEESHEOQWUUBGD-UHFFFAOYSA-N -1 0 309.434 2.147 20 10 DECDRM CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)CC(=O)[O-] ZINC001605981911 1070997854 /nfs/dbraw/zinc/99/78/54/1070997854.db2.gz QWVQTRIYUJKPPM-UHFFFAOYSA-N -1 0 306.322 2.174 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c(O)c1O ZINC001607731347 1071539237 /nfs/dbraw/zinc/53/92/37/1071539237.db2.gz ZUHZKFUZHUDUDN-SSDOTTSWSA-N -1 0 322.342 2.052 20 10 DECDRM O=C(NCc1cc(O)ccc1O)c1ccc2oc(=S)[n-]c2c1 ZINC001471661716 1060266739 /nfs/dbraw/zinc/26/67/39/1060266739.db2.gz ZNPMYFBVCDVCHL-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM O=C(Nc1nc2c(s1)COCC2)c1c(F)ccc(O)c1[O-] ZINC001472501233 1060524476 /nfs/dbraw/zinc/52/44/76/1060524476.db2.gz QNQKFZCVZUMMTK-UHFFFAOYSA-N -1 0 310.306 2.018 20 10 DECDRM CC(C)CN1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1=O ZINC001474465847 1060875671 /nfs/dbraw/zinc/87/56/71/1060875671.db2.gz YOYOHQWIMDBVGW-NSHDSACASA-N -1 0 312.360 2.359 20 10 DECDRM O=C([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC001610835257 1078084436 /nfs/dbraw/zinc/08/44/36/1078084436.db2.gz PXXCTSUUSCPLRB-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM Cc1cc(C(=O)N(C)c2nnn[n-]2)c(C)n1-c1ccc(F)cc1 ZINC001642427583 1078754550 /nfs/dbraw/zinc/75/45/50/1078754550.db2.gz QEQRAVRWIVQVLI-UHFFFAOYSA-N -1 0 314.324 2.023 20 10 DECDRM COc1ccccc1CONC(=O)c1c(F)ccc(O)c1[O-] ZINC001648745376 1075008316 /nfs/dbraw/zinc/00/83/16/1075008316.db2.gz BEVYBDVNCRSPRT-UHFFFAOYSA-N -1 0 307.277 2.107 20 10 DECDRM CN(Cc1nnc2ccccn21)Cc1cc(F)cc(F)c1[O-] ZINC001560686310 1075144754 /nfs/dbraw/zinc/14/47/54/1075144754.db2.gz XHUWTTHOHCCQCR-UHFFFAOYSA-N -1 0 304.300 2.345 20 10 DECDRM Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cnn1CC(=O)[O-] ZINC001600053251 1077130303 /nfs/dbraw/zinc/13/03/03/1077130303.db2.gz VWJLJPQOCNIECE-SNAWJCMRSA-N -1 0 314.389 2.467 20 10 DECDRM Cc1cc(CC(=O)N2CC[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC001600187633 1077155178 /nfs/dbraw/zinc/15/51/78/1077155178.db2.gz VLBLGIZWZHKWJQ-MRXNPFEDSA-N -1 0 312.369 2.322 20 10 DECDRM Cc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(O)c1O ZINC001600339168 1077183300 /nfs/dbraw/zinc/18/33/00/1077183300.db2.gz RVIBTLDZQUQBGC-GFCCVEGCSA-N -1 0 321.373 2.417 20 10 DECDRM Cc1conc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600644521 1077240610 /nfs/dbraw/zinc/24/06/10/1077240610.db2.gz XRKDNVFIVGKRMR-UHFFFAOYSA-N -1 0 324.720 2.069 20 10 DECDRM O=C([O-])c1ccccc1CCC(=O)NCc1ccc(O)c(O)c1 ZINC001601291440 1077373482 /nfs/dbraw/zinc/37/34/82/1077373482.db2.gz RXYGHIZUIHLRJR-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001601451066 1077396627 /nfs/dbraw/zinc/39/66/27/1077396627.db2.gz BPYLRBIDUCZOFC-ZDUSSCGKSA-N -1 0 321.373 2.499 20 10 DECDRM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001601706733 1077438088 /nfs/dbraw/zinc/43/80/88/1077438088.db2.gz CPELEAODZOHCRI-GFCCVEGCSA-N -1 0 307.243 2.370 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881969 1077469719 /nfs/dbraw/zinc/46/97/19/1077469719.db2.gz WIIOGTPYRUWYRZ-FVOPLDGLSA-N -1 0 306.318 2.044 20 10 DECDRM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 ZINC000070330072 1079983845 /nfs/dbraw/zinc/98/38/45/1079983845.db2.gz HIYOXJCZBIAFMN-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM NC(=O)CN(Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001657185907 1080164898 /nfs/dbraw/zinc/16/48/98/1080164898.db2.gz MGTBIDCTISSJJP-UHFFFAOYSA-N -1 0 306.312 2.158 20 10 DECDRM O=S(=O)(NCc1ccccc1O)c1cccc(Cl)c1[O-] ZINC001661726013 1080513545 /nfs/dbraw/zinc/51/35/45/1080513545.db2.gz XRXAJLWNOKKDCB-UHFFFAOYSA-N -1 0 313.762 2.230 20 10 DECDRM NC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001277446388 1083974299 /nfs/dbraw/zinc/97/42/99/1083974299.db2.gz RSXBEMOQKOMZAD-OQPBUACISA-N -1 0 301.173 2.149 20 10 DECDRM COc1c(F)ccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1F ZINC001212566289 1086559966 /nfs/dbraw/zinc/55/99/66/1086559966.db2.gz MKVZBOZSIPZCRA-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM COC(=O)[C@H](C)NCc1cc(Cl)cc(Br)c1[O-] ZINC000708087439 1086676808 /nfs/dbraw/zinc/67/68/08/1086676808.db2.gz BTJWDDLPSCYKTJ-LURJTMIESA-N -1 0 322.586 2.459 20 10 DECDRM COC(=O)N1CCCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807457 1138797804 /nfs/dbraw/zinc/79/78/04/1138797804.db2.gz JDRAXXWARNIWRC-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM OC[C@H]1C[C@@H]2[C@H](C1)OCCN2Cc1cc(F)c(Cl)cc1O ZINC001237934583 1138811092 /nfs/dbraw/zinc/81/10/92/1138811092.db2.gz LAFHEATVZDNPIH-RJIBLYRGSA-N -1 0 315.772 2.156 20 10 DECDRM Cc1noc(-c2ccc(C3=S=C(C(=O)[O-])C=C3)cc2)c1N ZINC001240847778 1139646504 /nfs/dbraw/zinc/64/65/04/1139646504.db2.gz OBHDGGZMSXURHD-UHFFFAOYSA-N -1 0 300.339 2.313 20 10 DECDRM O=S(=O)(NCc1cnco1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251433061 1142431787 /nfs/dbraw/zinc/43/17/87/1142431787.db2.gz ZIKMPCXGETXVTE-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC001336905708 1142626455 /nfs/dbraw/zinc/62/64/55/1142626455.db2.gz HORNXNATMKNSLM-QGZVFWFLSA-N -1 0 319.405 2.098 20 10 DECDRM O=C(CO[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001342798478 1143837193 /nfs/dbraw/zinc/83/71/93/1143837193.db2.gz FDCBZZSLXXHPMI-JTQLQIEISA-N -1 0 320.172 2.121 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1ccc(F)c(F)c1F ZINC001259079481 1144063584 /nfs/dbraw/zinc/06/35/84/1144063584.db2.gz ZNCJLDPUZOSFFJ-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1ccc(F)c(F)c1 ZINC001259084117 1144064079 /nfs/dbraw/zinc/06/40/79/1144064079.db2.gz KADZYNALYLALQE-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cnc2ccccc2c1 ZINC001260004314 1144167307 /nfs/dbraw/zinc/16/73/07/1144167307.db2.gz CDKMLYJEVAISBX-UHFFFAOYSA-N -1 0 316.338 2.447 20 10 DECDRM C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441345 1144187069 /nfs/dbraw/zinc/18/70/69/1144187069.db2.gz DIDKVHNSCDWJPP-VIFPVBQESA-N -1 0 319.342 2.077 20 10 DECDRM COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1C ZINC001260440737 1144187175 /nfs/dbraw/zinc/18/71/75/1144187175.db2.gz ISWJABIHASLPBF-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 ZINC001260809622 1144209572 /nfs/dbraw/zinc/20/95/72/1144209572.db2.gz KXVJAKKGEQCFEK-UHFFFAOYSA-N -1 0 324.333 2.291 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)S1(=O)=O ZINC000293813872 403570643 /nfs/dbraw/zinc/57/06/43/403570643.db2.gz FHJPYAMLTFADHL-IUCAKERBSA-N -1 0 321.801 2.192 20 10 DECDRM Cn1cc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cn1 ZINC000295062772 403747157 /nfs/dbraw/zinc/74/71/57/403747157.db2.gz ADPBPAHAEMXWPH-UHFFFAOYSA-N -1 0 324.787 2.240 20 10 DECDRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000821369318 598220799 /nfs/dbraw/zinc/22/07/99/598220799.db2.gz QXUQXSOZFSWZTP-GQSKFBFOSA-N -1 0 313.309 2.053 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000319627365 600106031 /nfs/dbraw/zinc/10/60/31/600106031.db2.gz BJCDIMPHXYKCBD-CVEARBPZSA-N -1 0 316.401 2.356 20 10 DECDRM O=C([O-])[C@H](CNC(=O)C1=CC(=O)CS1)Cc1cccc(F)c1 ZINC000739407222 600363327 /nfs/dbraw/zinc/36/33/27/600363327.db2.gz FPPXOIVHVHQTMI-JTQLQIEISA-N -1 0 323.345 2.266 20 10 DECDRM O=C([O-])c1cc2ccccc2c(CN2CCn3ccnc3C2)c1O ZINC000740095575 600426489 /nfs/dbraw/zinc/42/64/89/600426489.db2.gz BUEINYVBBDLOHQ-UHFFFAOYSA-N -1 0 323.352 2.456 20 10 DECDRM CN(Cc1cc[nH]n1)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC000737450766 600461412 /nfs/dbraw/zinc/46/14/12/600461412.db2.gz BJZGBRYMFYOJKA-HWKANZROSA-N -1 0 302.290 2.052 20 10 DECDRM COc1ccc(N(C)Cc2noc(CCCC(=O)[O-])n2)cc1F ZINC000832377983 601969649 /nfs/dbraw/zinc/96/96/49/601969649.db2.gz BBUDFTWQMWZHGY-UHFFFAOYSA-N -1 0 323.324 2.261 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828400384 603489710 /nfs/dbraw/zinc/48/97/10/603489710.db2.gz ZEJVACIYTKEEEI-YPMHNXCESA-N -1 0 306.362 2.177 20 10 DECDRM CC(C)(CNC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000823960437 603629372 /nfs/dbraw/zinc/62/93/72/603629372.db2.gz GHRLPIZCXMWDFU-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2CC[C@H]1CCOC1=O ZINC000832714482 603966261 /nfs/dbraw/zinc/96/62/61/603966261.db2.gz DPZOBORLTDTOMQ-ZDUSSCGKSA-N -1 0 318.373 2.160 20 10 DECDRM C[C@@H]1[C@H](C)OCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000380429906 604273197 /nfs/dbraw/zinc/27/31/97/604273197.db2.gz WHDSDPYVGONRMK-FPNIURKZSA-N -1 0 306.318 2.306 20 10 DECDRM COc1cccc(CNC(=O)c2ccccc2NC(=O)[O-])c1O ZINC000832553603 604369768 /nfs/dbraw/zinc/36/97/68/604369768.db2.gz AGZNIGVDFRTNSQ-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CC(C)(O)[C@@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833463593 605056008 /nfs/dbraw/zinc/05/60/08/605056008.db2.gz INWIGIKDCIUXIG-QPBFKRLHSA-N -1 0 320.345 2.432 20 10 DECDRM CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000833505921 605248091 /nfs/dbraw/zinc/24/80/91/605248091.db2.gz OPZIJFFRBLNYBO-LBPRGKRZSA-N -1 0 301.770 2.356 20 10 DECDRM CC1=C(C(=O)[O-])C[C@@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000833578481 605378039 /nfs/dbraw/zinc/37/80/39/605378039.db2.gz LAUGHYWOCTZYEK-ZDUSSCGKSA-N -1 0 318.373 2.099 20 10 DECDRM O=C([O-])N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834184305 605990408 /nfs/dbraw/zinc/99/04/08/605990408.db2.gz ULVNNFKJRMVYEO-SNVBAGLBSA-N -1 0 302.733 2.417 20 10 DECDRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccc2nonc21 ZINC000161345966 624922588 /nfs/dbraw/zinc/92/25/88/624922588.db2.gz DOXVXOOVMRXABD-UHFFFAOYSA-N -1 0 311.269 2.302 20 10 DECDRM CN(CC(=O)NCc1ccco1)Cc1cc(F)cc(F)c1[O-] ZINC000893901759 636058575 /nfs/dbraw/zinc/05/85/75/636058575.db2.gz DOFSGILMOPUCJD-UHFFFAOYSA-N -1 0 310.300 2.012 20 10 DECDRM O=C1OCC[C@@H]1NCc1cc(Cl)cc(Br)c1[O-] ZINC000895807804 638208515 /nfs/dbraw/zinc/20/85/15/638208515.db2.gz CIGKXJALJWRZQH-VIFPVBQESA-N -1 0 320.570 2.213 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756333667 639651000 /nfs/dbraw/zinc/65/10/00/639651000.db2.gz SJLWDLOGOJKVIL-CQSZACIVSA-N -1 0 302.286 2.216 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000758782870 639994904 /nfs/dbraw/zinc/99/49/04/639994904.db2.gz ZWWYKWFVZCWGFV-UHFFFAOYSA-N -1 0 323.374 2.173 20 10 DECDRM COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)s1 ZINC000763114643 640506769 /nfs/dbraw/zinc/50/67/69/640506769.db2.gz RVBRVDONYZGULD-DAXSKMNVSA-N -1 0 315.397 2.043 20 10 DECDRM C[C@H](NC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043598 640516910 /nfs/dbraw/zinc/51/69/10/640516910.db2.gz JJNZBPKGKGXSBK-SMDDNHRTSA-N -1 0 305.378 2.072 20 10 DECDRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCC1)c1ccc(N(C)C)cc1 ZINC000929044397 640517605 /nfs/dbraw/zinc/51/76/05/640517605.db2.gz MPLPZNVQEFXTQP-GFCCVEGCSA-N -1 0 319.405 2.462 20 10 DECDRM C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000763649349 640557836 /nfs/dbraw/zinc/55/78/36/640557836.db2.gz VBXGBLYIQQITQZ-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898192880 641055813 /nfs/dbraw/zinc/05/58/13/641055813.db2.gz MRTVPHHMSWJHJH-QWRGUYRKSA-N -1 0 304.159 2.059 20 10 DECDRM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775653691 642072644 /nfs/dbraw/zinc/07/26/44/642072644.db2.gz MZQMGQYNYRMNGP-ZDUSSCGKSA-N -1 0 312.772 2.428 20 10 DECDRM CCC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000780399351 642620859 /nfs/dbraw/zinc/62/08/59/642620859.db2.gz VVVVTIOAZHPJMY-HNNXBMFYSA-N -1 0 319.405 2.339 20 10 DECDRM CCN1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC000787418150 643492485 /nfs/dbraw/zinc/49/24/85/643492485.db2.gz WEJSOIWYOWBUAR-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM COC(=O)[C@H](NCc1cccc(Br)c1[O-])C1CC1 ZINC000789573290 643750826 /nfs/dbraw/zinc/75/08/26/643750826.db2.gz JGJAGQIJZDEXAP-LLVKDONJSA-N -1 0 314.179 2.196 20 10 DECDRM Cc1nc(C=Cc2ccc(N(C)C)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794714814 644466161 /nfs/dbraw/zinc/46/61/61/644466161.db2.gz SCABLJOFEBEHNR-TWGQIWQCSA-N -1 0 313.357 2.354 20 10 DECDRM Cc1ccc(CC(=O)N(CC(=O)[O-])Cc2ccccc2O)s1 ZINC000911484427 645720443 /nfs/dbraw/zinc/72/04/43/645720443.db2.gz BTYFPAAHCVSBMS-UHFFFAOYSA-N -1 0 319.382 2.418 20 10 DECDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492801 645723281 /nfs/dbraw/zinc/72/32/81/645723281.db2.gz JNJJKUCFCOAYBP-SAXRGWBVSA-N -1 0 303.358 2.098 20 10 DECDRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc2cccnc2c1O ZINC000911700533 645796592 /nfs/dbraw/zinc/79/65/92/645796592.db2.gz MWJNKZNPHVWKSO-JTQLQIEISA-N -1 0 302.330 2.058 20 10 DECDRM CC(C)(CCC(=O)[O-])C(=O)NCc1ccc2cccnc2c1O ZINC000911700617 645796811 /nfs/dbraw/zinc/79/68/11/645796811.db2.gz NKHDDNGQGKHNLB-UHFFFAOYSA-N -1 0 316.357 2.448 20 10 DECDRM CC[C@@H](NCc1nnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163148 645805026 /nfs/dbraw/zinc/80/50/26/645805026.db2.gz MAYFLPGPUMLXMR-SNVBAGLBSA-N -1 0 316.192 2.463 20 10 DECDRM Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1O ZINC000163929632 646408977 /nfs/dbraw/zinc/40/89/77/646408977.db2.gz QTSRHJOHGZLGEL-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM O=C1OCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN12 ZINC000816521925 647146319 /nfs/dbraw/zinc/14/63/19/647146319.db2.gz DCBIZNZXOZARHO-SNVBAGLBSA-N -1 0 314.744 2.211 20 10 DECDRM O=C(C1CC1)[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816601119 647157121 /nfs/dbraw/zinc/15/71/21/647157121.db2.gz SCKYIEZXZFMYSD-CQSZACIVSA-N -1 0 313.756 2.365 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000324233607 647311513 /nfs/dbraw/zinc/31/15/13/647311513.db2.gz FLLROCRXNUDFLG-VHSXEESVSA-N -1 0 324.333 2.159 20 10 DECDRM CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000732605421 647631022 /nfs/dbraw/zinc/63/10/22/647631022.db2.gz NRJTXUIBJMXCCK-UHFFFAOYSA-N -1 0 320.414 2.482 20 10 DECDRM O=S1(=O)CCN(Cc2cccc(Cl)c2[O-])[C@H]2CCC[C@H]21 ZINC000825200662 648723875 /nfs/dbraw/zinc/72/38/75/648723875.db2.gz FXEKSXJXPBSUES-QWHCGFSZSA-N -1 0 315.822 2.197 20 10 DECDRM COc1ccc(N(C)Cc2nc(C(=O)[O-])cs2)c(OC)c1 ZINC000846251019 651318279 /nfs/dbraw/zinc/31/82/79/651318279.db2.gz AATYJUUDMYBIGM-UHFFFAOYSA-N -1 0 308.359 2.495 20 10 DECDRM CN(Cc1noc(C(C)(C)C)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279408 651319903 /nfs/dbraw/zinc/31/99/03/651319903.db2.gz CKDMCUJWDNJDPL-UHFFFAOYSA-N -1 0 319.361 2.467 20 10 DECDRM CN(Cc1nnc(C(C)(C)C)[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279870 651320169 /nfs/dbraw/zinc/32/01/69/651320169.db2.gz OTUWEXVZUHAAEL-UHFFFAOYSA-N -1 0 318.377 2.202 20 10 DECDRM COc1ccc(N2CC[C@H](Nc3ccc(C(=O)[O-])cn3)C2)cc1 ZINC000852909600 652479039 /nfs/dbraw/zinc/47/90/39/652479039.db2.gz ZLSSBTDDWPEENS-ZDUSSCGKSA-N -1 0 313.357 2.479 20 10 DECDRM CNC(=O)COc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864028236 686603226 /nfs/dbraw/zinc/60/32/26/686603226.db2.gz RTXLTJCUFIBDCX-UHFFFAOYSA-N -1 0 322.311 2.407 20 10 DECDRM O=C1N[C@H](c2ccc(F)c(F)c2[O-])N2CCc3ccccc3[C@H]12 ZINC000877857496 690249509 /nfs/dbraw/zinc/24/95/09/690249509.db2.gz SILNPVSQZRNLCT-ZBFHGGJFSA-N -1 0 316.307 2.398 20 10 DECDRM CN(Cc1nc[nH]n1)Cc1cc(Br)cc(F)c1[O-] ZINC000894035597 692974162 /nfs/dbraw/zinc/97/41/62/692974162.db2.gz JMKSRKGTRCOELJ-UHFFFAOYSA-N -1 0 315.146 2.044 20 10 DECDRM COc1cccc(CNC(=O)c2cc(F)cc(F)c2[O-])c1O ZINC001137473372 788366536 /nfs/dbraw/zinc/36/65/36/788366536.db2.gz HOIDYWLEAVIQBK-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM O=C(c1ccco1)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684398 794901876 /nfs/dbraw/zinc/90/18/76/794901876.db2.gz IQWDPNWJGIFQGG-UHFFFAOYSA-N -1 0 322.311 2.221 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)c1c[n-]ncc1=O ZINC001120735365 795521906 /nfs/dbraw/zinc/52/19/06/795521906.db2.gz YFPKHRTVGHOLQP-UHFFFAOYSA-N -1 0 301.346 2.330 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC001141374495 796662338 /nfs/dbraw/zinc/66/23/38/796662338.db2.gz JXULJWWKSHTPCH-UHFFFAOYSA-N -1 0 320.570 2.167 20 10 DECDRM COC(=O)CCCCCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626157 797595619 /nfs/dbraw/zinc/59/56/19/797595619.db2.gz RHPZVVTUGNZPNH-UHFFFAOYSA-N -1 0 315.753 2.214 20 10 DECDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1nccn1C ZINC001193598396 797600660 /nfs/dbraw/zinc/60/06/60/797600660.db2.gz PQANWEGJSFOHEA-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@](F)(CO)CC1 ZINC001193605881 797601663 /nfs/dbraw/zinc/60/16/63/797601663.db2.gz MPKCYJZGYXQNCP-CQSZACIVSA-N -1 0 317.744 2.078 20 10 DECDRM O=C(Nc1cnc2nccn2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193606004 797602080 /nfs/dbraw/zinc/60/20/80/797602080.db2.gz QXUTYNHRIUWHMW-UHFFFAOYSA-N -1 0 304.693 2.046 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cnccc1Cl ZINC000085201101 797742691 /nfs/dbraw/zinc/74/26/91/797742691.db2.gz IZLKTWKZFYNMCD-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001194718623 797768467 /nfs/dbraw/zinc/76/84/67/797768467.db2.gz IBLLUFAJNHYIFY-UHFFFAOYSA-N -1 0 308.359 2.213 20 10 DECDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)cn1 ZINC001198314050 798313284 /nfs/dbraw/zinc/31/32/84/798313284.db2.gz NEVNQFCGWYTGEK-UHFFFAOYSA-N -1 0 300.286 2.175 20 10 DECDRM CO[C@@H](C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-])C1CC1 ZINC001334842754 1150346660 /nfs/dbraw/zinc/34/66/60/1150346660.db2.gz ZUOMLRGKMWVABZ-OLZOCXBDSA-N -1 0 315.316 2.028 20 10 DECDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC001589603451 949210028 /nfs/dbraw/zinc/21/00/28/949210028.db2.gz NIEJKIZTDHDICP-INIZCTEOSA-N -1 0 307.346 2.123 20 10 DECDRM O=C([O-])c1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC001595272769 949850834 /nfs/dbraw/zinc/85/08/34/949850834.db2.gz TXHPAGOSFCMEDX-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000322527034 951032053 /nfs/dbraw/zinc/03/20/53/951032053.db2.gz VIPWXEYEUOFIEX-LLVKDONJSA-N -1 0 313.309 2.317 20 10 DECDRM C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C(=O)[O-] ZINC001589393179 954348064 /nfs/dbraw/zinc/34/80/64/954348064.db2.gz VUJNXUQXGADPAJ-BXKDBHETSA-N -1 0 318.333 2.032 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001593760528 954481910 /nfs/dbraw/zinc/48/19/10/954481910.db2.gz BTEYJHRFSOLGGX-SREVYHEPSA-N -1 0 301.298 2.355 20 10 DECDRM O=C([O-])CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC001339255680 969735967 /nfs/dbraw/zinc/73/59/67/969735967.db2.gz ZWLPCMSTIFUQAC-OAHLLOKOSA-N -1 0 320.389 2.085 20 10 DECDRM CC(C)(C)c1cnc(SCCS(=O)(=O)CC(=O)[O-])s1 ZINC001609777002 970522489 /nfs/dbraw/zinc/52/24/89/970522489.db2.gz BMNHGCDKFNALIP-UHFFFAOYSA-N -1 0 323.461 2.032 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001596288029 983707372 /nfs/dbraw/zinc/70/73/72/983707372.db2.gz FEOVDLGPVDTVHE-OKILXGFUSA-N -1 0 304.390 2.260 20 10 DECDRM CCOC(=O)CN(Cc1ccccc1O)CC1(CC(=O)[O-])CC1 ZINC001596622031 984597272 /nfs/dbraw/zinc/59/72/72/984597272.db2.gz GFWAFWGIHRYRKN-UHFFFAOYSA-N -1 0 321.373 2.012 20 10 DECDRM CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001598317963 991310706 /nfs/dbraw/zinc/31/07/06/991310706.db2.gz OXJNAAALXBKVJN-KGLIPLIRSA-N -1 0 319.405 2.195 20 10 DECDRM CN(Cc1cc(F)ncc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001598508426 992534905 /nfs/dbraw/zinc/53/49/05/992534905.db2.gz HCICCHCICYBCAW-UHFFFAOYSA-N -1 0 308.284 2.460 20 10 DECDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001591582159 992791495 /nfs/dbraw/zinc/79/14/95/992791495.db2.gz PKIJCDUXECTQMJ-UHFFFAOYSA-N -1 0 306.322 2.174 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC001599673910 994862829 /nfs/dbraw/zinc/86/28/29/994862829.db2.gz RUUBENUYHHIJOZ-UHFFFAOYSA-N -1 0 315.325 2.337 20 10 DECDRM C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001594434591 999613606 /nfs/dbraw/zinc/61/36/06/999613606.db2.gz YPKMALFCRDXOIK-QIPCVNDGSA-N -1 0 320.345 2.147 20 10 DECDRM CC(C)C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001603774956 1070094286 /nfs/dbraw/zinc/09/42/86/1070094286.db2.gz XHDVDCZIRKPQNK-LLVKDONJSA-N -1 0 320.349 2.326 20 10 DECDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001604901379 1070530108 /nfs/dbraw/zinc/53/01/08/1070530108.db2.gz GEQMJRGOYSBJDN-AWEZNQCLSA-N -1 0 306.322 2.222 20 10 DECDRM CC[C@H](C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC001604948746 1070544854 /nfs/dbraw/zinc/54/48/54/1070544854.db2.gz SNFYGQFAJDLQAI-HMZXWZJTSA-N -1 0 307.346 2.117 20 10 DECDRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001604988060 1070557268 /nfs/dbraw/zinc/55/72/68/1070557268.db2.gz LQPOIAYZHKWHGG-SOFGYWHQSA-N -1 0 307.346 2.261 20 10 DECDRM CN(C)c1ccc(OCc2cc3n(n2)CCC3)cc1C(=O)[O-] ZINC001606061254 1071032312 /nfs/dbraw/zinc/03/23/12/1071032312.db2.gz WZVQOWPLFKLYTC-UHFFFAOYSA-N -1 0 301.346 2.173 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC001606230227 1071090205 /nfs/dbraw/zinc/09/02/05/1071090205.db2.gz XRZPTPDHUHEELT-LSDHHAIUSA-N -1 0 316.401 2.186 20 10 DECDRM Cn1c2cccc(NCc3cc([N+](=O)[O-])ccc3[O-])c2oc1=O ZINC001461345852 1058643279 /nfs/dbraw/zinc/64/32/79/1058643279.db2.gz FJRASNXEWXLBPO-UHFFFAOYSA-N -1 0 315.285 2.357 20 10 DECDRM CNC(=O)CN(Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001621488612 1078175238 /nfs/dbraw/zinc/17/52/38/1078175238.db2.gz HVRMZIKQTXWEMO-UHFFFAOYSA-N -1 0 320.339 2.419 20 10 DECDRM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001640402252 1078658989 /nfs/dbraw/zinc/65/89/89/1078658989.db2.gz NOWWSLNWKDFIHT-UHFFFAOYSA-N -1 0 320.732 2.157 20 10 DECDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1O ZINC001587451165 1076419109 /nfs/dbraw/zinc/41/91/09/1076419109.db2.gz KICRHBGHVWZIJW-VIFPVBQESA-N -1 0 302.286 2.497 20 10 DECDRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001600117054 1077139284 /nfs/dbraw/zinc/13/92/84/1077139284.db2.gz PXJDOIBSKGUWQC-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM Cc1cc(NC(=O)CCSc2ncc(C(=O)[O-])s2)no1 ZINC001600254121 1077168715 /nfs/dbraw/zinc/16/87/15/1077168715.db2.gz SKXBXZXFVAJQNK-UHFFFAOYSA-N -1 0 313.360 2.259 20 10 DECDRM O=C([O-])c1csc(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC001601350221 1077381043 /nfs/dbraw/zinc/38/10/43/1077381043.db2.gz CNMPMRDDIXNDBR-UHFFFAOYSA-N -1 0 311.340 2.228 20 10 DECDRM O=C([O-])COc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001602084857 1077504018 /nfs/dbraw/zinc/50/40/18/1077504018.db2.gz IJTIVMBQHRRQIL-UHFFFAOYSA-N -1 0 305.305 2.285 20 10 DECDRM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001608533247 1077651599 /nfs/dbraw/zinc/65/15/99/1077651599.db2.gz WIBVOHOOSPPNLW-JQWIXIFHSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC001608746862 1077688943 /nfs/dbraw/zinc/68/89/43/1077688943.db2.gz PNRNDMSZCIZZKY-UHFFFAOYSA-N -1 0 317.744 2.250 20 10 DECDRM O=C([O-])c1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001608929224 1077722845 /nfs/dbraw/zinc/72/28/45/1077722845.db2.gz KTRSHEMVDSHSHX-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM O=C1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235068784 1084296714 /nfs/dbraw/zinc/29/67/14/1084296714.db2.gz LZJUQRGBAKVMKY-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237616732 1138716695 /nfs/dbraw/zinc/71/66/95/1138716695.db2.gz GMLIJTMBWLMLTD-AAEUAGOBSA-N -1 0 309.715 2.429 20 10 DECDRM O=C([O-])c1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001242337583 1139893519 /nfs/dbraw/zinc/89/35/19/1139893519.db2.gz GANJHDZMOMDFED-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM O=S(=O)(CC(F)(F)F)[N-]Cc1ccc(N2CCCC2)cc1 ZINC001253210693 1142854354 /nfs/dbraw/zinc/85/43/54/1142854354.db2.gz VJFHJTVLJTYXIV-UHFFFAOYSA-N -1 0 322.352 2.269 20 10 DECDRM O=S(=O)([N-]c1ccccc1O)c1cccc2nsnc21 ZINC000037374609 354165994 /nfs/dbraw/zinc/16/59/94/354165994.db2.gz LVESGRPUIXKLOL-UHFFFAOYSA-N -1 0 307.356 2.198 20 10 DECDRM C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361972 130111207 /nfs/dbraw/zinc/11/12/07/130111207.db2.gz APHPNMLZUSAUTA-ZJUUUORDSA-N -1 0 309.366 2.254 20 10 DECDRM C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)S1(=O)=O ZINC000290765586 404302335 /nfs/dbraw/zinc/30/23/35/404302335.db2.gz BTUKOSFGTUSNTL-NXEZZACHSA-N -1 0 303.811 2.053 20 10 DECDRM C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179772473 300374197 /nfs/dbraw/zinc/37/41/97/300374197.db2.gz CTJWMSGGKJDACS-QMMMGPOBSA-N -1 0 324.229 2.318 20 10 DECDRM O=C1OC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN12 ZINC000378345998 304694320 /nfs/dbraw/zinc/69/43/20/304694320.db2.gz OPPVMDPLJJYNIN-SNVBAGLBSA-N -1 0 317.172 2.335 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)NCCC(=O)[O-])cc2)CC1 ZINC000818106775 597219930 /nfs/dbraw/zinc/21/99/30/597219930.db2.gz HJSFRKKQOZNUDL-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM O=C([O-])C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000821511106 598120284 /nfs/dbraw/zinc/12/02/84/598120284.db2.gz CIGNGCWHTCHHQE-UHFFFAOYSA-N -1 0 314.725 2.250 20 10 DECDRM O=C([O-])c1ccnc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000821553200 598219395 /nfs/dbraw/zinc/21/93/95/598219395.db2.gz GPSPBBGZWHWKDT-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM COc1cccc(CNC(=O)c2cccc(C(=O)[O-])c2)c1O ZINC000738105311 599762039 /nfs/dbraw/zinc/76/20/39/599762039.db2.gz YZHBTADYHFCHPG-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1cccc(F)c1 ZINC000739407226 600363238 /nfs/dbraw/zinc/36/32/38/600363238.db2.gz FPPXOIVHVHQTMI-SNVBAGLBSA-N -1 0 323.345 2.266 20 10 DECDRM CN(C[C@@H]1CCOC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000399598217 601251498 /nfs/dbraw/zinc/25/14/98/601251498.db2.gz NIVZBKJKTWPAGW-PYEVWLCESA-N -1 0 306.318 2.165 20 10 DECDRM COC[C@@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000831666102 601380932 /nfs/dbraw/zinc/38/09/32/601380932.db2.gz GYFZEQKJKLBEFB-HWPRWLFBSA-N -1 0 306.318 2.308 20 10 DECDRM CCOC(=O)[C@H](C)N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829822291 601929772 /nfs/dbraw/zinc/92/97/72/601929772.db2.gz DUUYRXKIEGDRFM-ZEBCKKTISA-N -1 0 322.317 2.080 20 10 DECDRM Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)nc1 ZINC000832928037 602299065 /nfs/dbraw/zinc/29/90/65/602299065.db2.gz OFOMKNDFDYHFBV-XFFZJAGNSA-N -1 0 322.411 2.456 20 10 DECDRM CN(C)c1ccc(CNC(=O)C[C@H]2CCCN2C(=O)[O-])cc1F ZINC000828067204 602767275 /nfs/dbraw/zinc/76/72/75/602767275.db2.gz HGYTVZWSSDGPMU-GFCCVEGCSA-N -1 0 323.368 2.040 20 10 DECDRM C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)[O-] ZINC000824565862 603298554 /nfs/dbraw/zinc/29/85/54/603298554.db2.gz SSBGBUUOWFDWFS-GFCCVEGCSA-N -1 0 319.405 2.290 20 10 DECDRM CCn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1 ZINC000833681624 604637031 /nfs/dbraw/zinc/63/70/31/604637031.db2.gz AWFSSZAYBOBZIW-UHFFFAOYSA-N -1 0 323.780 2.349 20 10 DECDRM CC(C)(O)[C@@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833463589 605055869 /nfs/dbraw/zinc/05/58/69/605055869.db2.gz INWIGIKDCIUXIG-OWNNVSBGSA-N -1 0 320.345 2.432 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(C)c(C)c1O ZINC000187059732 625415839 /nfs/dbraw/zinc/41/58/39/625415839.db2.gz SBJGUQQULJSZHL-UHFFFAOYSA-N -1 0 317.370 2.385 20 10 DECDRM COc1ccc(N2CCN(c3ncccc3C(=O)[O-])CC2)cc1 ZINC000004217813 625565226 /nfs/dbraw/zinc/56/52/26/625565226.db2.gz IAIQLLJFZPUQLD-UHFFFAOYSA-N -1 0 313.357 2.115 20 10 DECDRM CC1(O)CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000179723481 625833279 /nfs/dbraw/zinc/83/32/79/625833279.db2.gz RNSLKTNMPMHHKB-UHFFFAOYSA-N -1 0 300.742 2.301 20 10 DECDRM O=C([O-])c1cc(O)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000837283267 650181434 /nfs/dbraw/zinc/18/14/34/650181434.db2.gz BKUOZQBLKYOVPZ-UHFFFAOYSA-N -1 0 313.375 2.412 20 10 DECDRM CC1(C)CC(=O)NCCN1Cc1c([O-])ccc(Cl)c1F ZINC000895400317 638004788 /nfs/dbraw/zinc/00/47/88/638004788.db2.gz NWRSPAOOJUQWDT-UHFFFAOYSA-N -1 0 300.761 2.285 20 10 DECDRM O=C1CN(Cc2cc(Cl)ccc2O)CN1CC(F)(F)F ZINC000754155259 639395559 /nfs/dbraw/zinc/39/55/59/639395559.db2.gz VOYHZDXCQFGGRY-UHFFFAOYSA-N -1 0 308.687 2.210 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000756359469 639653865 /nfs/dbraw/zinc/65/38/65/639653865.db2.gz FTFFVLGADNUCHR-GFCCVEGCSA-N -1 0 308.315 2.277 20 10 DECDRM C[C@H](NC(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043596 640517080 /nfs/dbraw/zinc/51/70/80/640517080.db2.gz JJNZBPKGKGXSBK-FZMZJTMJSA-N -1 0 305.378 2.072 20 10 DECDRM O=C1NCCC2(CN(Cc3cc(Cl)cc(Cl)c3[O-])C2)O1 ZINC000897752902 640915453 /nfs/dbraw/zinc/91/54/53/640915453.db2.gz YVRZZBDFOAWNDY-UHFFFAOYSA-N -1 0 317.172 2.383 20 10 DECDRM CCOC(=O)c1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1C ZINC000899362500 642044900 /nfs/dbraw/zinc/04/49/00/642044900.db2.gz VQCREOAUQNSPKT-LURJTMIESA-N -1 0 300.236 2.006 20 10 DECDRM CCC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725079 642085882 /nfs/dbraw/zinc/08/58/82/642085882.db2.gz HDLFAKFKSBYMDJ-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM O=C([O-])[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCSC1 ZINC000789898417 643787051 /nfs/dbraw/zinc/78/70/51/643787051.db2.gz UTAAGPUGCWCYHS-GFCCVEGCSA-N -1 0 305.758 2.235 20 10 DECDRM Cc1nc(NCc2ccc(N(C)C)c(F)c2)ncc1C(=O)[O-] ZINC000910290927 645393944 /nfs/dbraw/zinc/39/39/44/645393944.db2.gz XRGXMEFJOHLUCO-UHFFFAOYSA-N -1 0 304.325 2.300 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000911096848 645630165 /nfs/dbraw/zinc/63/01/65/645630165.db2.gz QTSAHFHXWZUCAY-UONOGXRCSA-N -1 0 321.373 2.011 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000911221721 645655141 /nfs/dbraw/zinc/65/51/41/645655141.db2.gz SAGYWWIROJPGIF-OAHLLOKOSA-N -1 0 304.390 2.404 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCCO1 ZINC000911484637 645720320 /nfs/dbraw/zinc/72/03/20/645720320.db2.gz DVLMVEFYXSTOEV-AWEZNQCLSA-N -1 0 321.373 2.155 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(=O)[nH]n1 ZINC000807839838 645995310 /nfs/dbraw/zinc/99/53/10/645995310.db2.gz MJAYQWOUEWXRFF-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000809221495 646206918 /nfs/dbraw/zinc/20/69/18/646206918.db2.gz FCDFWFPXIZGVHY-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM CCNC(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683501 646799250 /nfs/dbraw/zinc/79/92/50/646799250.db2.gz RHNHMRHUTKAANX-UHFFFAOYSA-N -1 0 319.188 2.232 20 10 DECDRM COC(=O)C1(C)CN(Cc2cccc(Br)c2[O-])C1 ZINC000822534794 648227413 /nfs/dbraw/zinc/22/74/13/648227413.db2.gz XOSRVIZOBRGEBH-UHFFFAOYSA-N -1 0 314.179 2.150 20 10 DECDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000000212875 649415046 /nfs/dbraw/zinc/41/50/46/649415046.db2.gz OOGPCVAVEJYDMD-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM O=C(Cc1ncc[nH]1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000857508423 652129005 /nfs/dbraw/zinc/12/90/05/652129005.db2.gz RWBKERFUSOFUBD-UHFFFAOYSA-N -1 0 300.145 2.281 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000854237711 652663758 /nfs/dbraw/zinc/66/37/58/652663758.db2.gz BEXLBLJQWRRVQG-CYBMUJFWSA-N -1 0 306.362 2.035 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2c(O)cccc2O)cc1F ZINC000125746877 684148532 /nfs/dbraw/zinc/14/85/32/684148532.db2.gz PUFRBXDPWAADIN-UHFFFAOYSA-N -1 0 304.321 2.233 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130330549 684188062 /nfs/dbraw/zinc/18/80/62/684188062.db2.gz HDDYTAXGKKCTEC-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2O)c1 ZINC000188199821 684350990 /nfs/dbraw/zinc/35/09/90/684350990.db2.gz JAJRHWHPAHSLCU-UHFFFAOYSA-N -1 0 314.341 2.408 20 10 DECDRM C[C@H](NC(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(N(C)C)cc1 ZINC000929042482 693884740 /nfs/dbraw/zinc/88/47/40/693884740.db2.gz FQJPNNVVZZFKTH-DLGFLZQMSA-N -1 0 317.389 2.072 20 10 DECDRM CCCCN(CC)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872886363 689113213 /nfs/dbraw/zinc/11/32/13/689113213.db2.gz MRTBGQQVPPRBQZ-UHFFFAOYSA-N -1 0 322.405 2.235 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000874046156 689345874 /nfs/dbraw/zinc/34/58/74/689345874.db2.gz OYBYSQSKVAOMPW-WAAGHKOSSA-N -1 0 314.179 2.416 20 10 DECDRM O=C(c1ccco1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876527089 689847332 /nfs/dbraw/zinc/84/73/32/689847332.db2.gz RJFMRBLGMHFLCW-UHFFFAOYSA-N -1 0 322.311 2.221 20 10 DECDRM CCOCc1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])no1 ZINC000877542446 690146222 /nfs/dbraw/zinc/14/62/22/690146222.db2.gz YZWHYDDLOCFSJN-QMMMGPOBSA-N -1 0 313.304 2.441 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC001357121130 1152254755 /nfs/dbraw/zinc/25/47/55/1152254755.db2.gz RHNBGJNCJVCRTQ-ZDUSSCGKSA-N -1 0 308.378 2.247 20 10 DECDRM O=C(Nc1ccc[nH]c1=S)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878667 791645432 /nfs/dbraw/zinc/64/54/32/791645432.db2.gz OCAAMBRWRWDHIT-UHFFFAOYSA-N -1 0 312.354 2.102 20 10 DECDRM CN1Cc2ccccc2[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC001184152013 795997250 /nfs/dbraw/zinc/99/72/50/795997250.db2.gz CTLOCIRBGAXOKZ-CYBMUJFWSA-N -1 0 316.332 2.153 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1O ZINC001184867000 796143918 /nfs/dbraw/zinc/14/39/18/796143918.db2.gz ITEJEWUPAWKFCC-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM CCOC(=O)CN(CC)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139133768 796331428 /nfs/dbraw/zinc/33/14/28/796331428.db2.gz PELNXHZQXPDVLQ-UHFFFAOYSA-N -1 0 319.357 2.192 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(Cc2ccccn2)CC1 ZINC001139681486 796409872 /nfs/dbraw/zinc/40/98/72/796409872.db2.gz SESUPVNNFDKKTD-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM COc1ncnc2c1CC[N@H+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682245 796409958 /nfs/dbraw/zinc/40/99/58/796409958.db2.gz UEPJAUSQBQTXRG-UHFFFAOYSA-N -1 0 321.327 2.070 20 10 DECDRM Cc1cnc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)nc1 ZINC001140585561 796541742 /nfs/dbraw/zinc/54/17/42/796541742.db2.gz OBPXQBWLHFRZQR-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=C([O-])c1ccc(CN2CCCc3cc(O)c(O)cc3C2)o1 ZINC001140947328 796604288 /nfs/dbraw/zinc/60/42/88/796604288.db2.gz HOFQBEQGLCJDES-UHFFFAOYSA-N -1 0 303.314 2.337 20 10 DECDRM NC(=O)c1c2c(sc1[N-]S(=O)(=O)C1CCC1)CCCC2 ZINC001188105098 796621987 /nfs/dbraw/zinc/62/19/87/796621987.db2.gz VHDFVGHREXGSAK-UHFFFAOYSA-N -1 0 314.432 2.020 20 10 DECDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001192355381 797371856 /nfs/dbraw/zinc/37/18/56/797371856.db2.gz GMPDXENVXLDDKA-UHFFFAOYSA-N -1 0 314.750 2.255 20 10 DECDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccn2)ccc1O ZINC001198004535 798265910 /nfs/dbraw/zinc/26/59/10/798265910.db2.gz LKBQWTTYZSVXNK-UHFFFAOYSA-N -1 0 306.343 2.099 20 10 DECDRM Oc1cccnc1CNC(=S)Nc1ccc2c(c1)OCCO2 ZINC001199782363 798537887 /nfs/dbraw/zinc/53/78/87/798537887.db2.gz NBKTZERHTSROPN-UHFFFAOYSA-N -1 0 317.370 2.045 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCN(C(C)=O)C1 ZINC001233496768 802134259 /nfs/dbraw/zinc/13/42/59/802134259.db2.gz IMNGLUYPQWYBNZ-LLVKDONJSA-N -1 0 307.346 2.080 20 10 DECDRM CO[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000193111341 802439280 /nfs/dbraw/zinc/43/92/80/802439280.db2.gz NDELKBFRABKNNM-AWEZNQCLSA-N -1 0 305.305 2.354 20 10 DECDRM O=C([O-])c1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001595255101 949588461 /nfs/dbraw/zinc/58/84/61/949588461.db2.gz GKSUSBQRCBCKAX-UHFFFAOYSA-N -1 0 302.286 2.288 20 10 DECDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001595008374 951231987 /nfs/dbraw/zinc/23/19/87/951231987.db2.gz KUBUTXLUWPXIOU-LJLILKBBSA-N -1 0 319.357 2.357 20 10 DECDRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001595167860 952211532 /nfs/dbraw/zinc/21/15/32/952211532.db2.gz AIBNBXGSNSDYBR-QMMMGPOBSA-N -1 0 307.327 2.002 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001589474174 954945516 /nfs/dbraw/zinc/94/55/16/954945516.db2.gz REFSQWUPFPIDKF-JTQLQIEISA-N -1 0 309.362 2.036 20 10 DECDRM C[C@H](CN(C)C(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001573588722 959387956 /nfs/dbraw/zinc/38/79/56/959387956.db2.gz VTUKUPWJMSCELV-SSDOTTSWSA-N -1 0 309.343 2.105 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc(O)cc2O)CCCCCC1 ZINC001574633297 962309991 /nfs/dbraw/zinc/30/99/91/962309991.db2.gz FRECJTWQJGXUQV-UHFFFAOYSA-N -1 0 307.346 2.139 20 10 DECDRM C[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593054487 980364209 /nfs/dbraw/zinc/36/42/09/980364209.db2.gz XYVFTHFKXMJRLQ-CORIIIEPSA-N -1 0 319.405 2.318 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001594740977 981607814 /nfs/dbraw/zinc/60/78/14/981607814.db2.gz JHTHWJDHRRRLQI-OAHLLOKOSA-N -1 0 304.390 2.356 20 10 DECDRM CN(Cc1c(F)cncc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001598505965 992503318 /nfs/dbraw/zinc/50/33/18/992503318.db2.gz XCSFUWBDTIOZRJ-UHFFFAOYSA-N -1 0 308.284 2.460 20 10 DECDRM C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593083801 993683937 /nfs/dbraw/zinc/68/39/37/993683937.db2.gz UVLZBKKMSQZDBR-NSHDSACASA-N -1 0 307.394 2.224 20 10 DECDRM COc1c(NCc2cc(Cl)ccc2O)ncnc1C(=O)[O-] ZINC001599344641 997980635 /nfs/dbraw/zinc/98/06/35/997980635.db2.gz OJJRFXUCTMPFMJ-UHFFFAOYSA-N -1 0 309.709 2.155 20 10 DECDRM C/C(=C/C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cnccn1 ZINC001602951103 1069797632 /nfs/dbraw/zinc/79/76/32/1069797632.db2.gz DZXMBSOXNYBMTN-FLIBITNWSA-N -1 0 309.325 2.167 20 10 DECDRM CC(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001603804638 1070106528 /nfs/dbraw/zinc/10/65/28/1070106528.db2.gz NCVBNACWYMODHA-UHFFFAOYSA-N -1 0 316.741 2.496 20 10 DECDRM C[C@@H](O)[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001604386973 1070358148 /nfs/dbraw/zinc/35/81/48/1070358148.db2.gz HFDYZRZAZFFACA-NPNFKUNOSA-N -1 0 306.318 2.042 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001605278231 1070669250 /nfs/dbraw/zinc/66/92/50/1070669250.db2.gz TVXFYKIOLPDXLU-ZIAGYGMSSA-N -1 0 320.389 2.425 20 10 DECDRM CN(C[C@@H](O)c1ccccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001606109119 1071043191 /nfs/dbraw/zinc/04/31/91/1071043191.db2.gz YWIWHDZVWRCICK-MRXNPFEDSA-N -1 0 319.332 2.459 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606170050 1071061137 /nfs/dbraw/zinc/06/11/37/1071061137.db2.gz QLJWNMPMRPXBHS-UHFFFAOYSA-N -1 0 301.302 2.149 20 10 DECDRM COc1ccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c(O)c1 ZINC001607259102 1071385319 /nfs/dbraw/zinc/38/53/19/1071385319.db2.gz XDBYHRRZRBOMNN-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c(O)c1O ZINC001607729905 1071539175 /nfs/dbraw/zinc/53/91/75/1071539175.db2.gz IWLGGSWUBBBAEB-LBPRGKRZSA-N -1 0 307.346 2.170 20 10 DECDRM CN(C)c1ccc(CNS(=O)(=O)c2cc([O-])cc(F)c2)cc1 ZINC001474791511 1060940755 /nfs/dbraw/zinc/94/07/55/1060940755.db2.gz GCRFVZGWUPLLSJ-UHFFFAOYSA-N -1 0 324.377 2.076 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1Cc2ccccc2O1 ZINC001478646089 1061253245 /nfs/dbraw/zinc/25/32/45/1061253245.db2.gz KEOMJAHGLKWBIL-LBPRGKRZSA-N -1 0 316.332 2.334 20 10 DECDRM Nc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cccc1C(=O)[O-] ZINC001610647515 1078057204 /nfs/dbraw/zinc/05/72/04/1078057204.db2.gz ZZWXNMJFZXYXQN-ALCCZGGFSA-N -1 0 314.297 2.030 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC001621417489 1078173879 /nfs/dbraw/zinc/17/38/79/1078173879.db2.gz IDXBOFFZBQOJAG-DJLDLDEBSA-N -1 0 300.761 2.282 20 10 DECDRM COC(=O)Cc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001558918725 1075108767 /nfs/dbraw/zinc/10/87/67/1075108767.db2.gz HZGSCZRFDATNAM-UHFFFAOYSA-N -1 0 319.288 2.205 20 10 DECDRM O=C(NCc1cccc(O)c1O)c1ccc2[n-]c(=S)oc2c1 ZINC001593739799 1077049151 /nfs/dbraw/zinc/04/91/51/1077049151.db2.gz WRLJMNMQOLXYDK-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC001600077109 1077132366 /nfs/dbraw/zinc/13/23/66/1077132366.db2.gz LPNJUZXMRCNQMI-UHFFFAOYSA-N -1 0 324.340 2.267 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)no1 ZINC001600078002 1077133155 /nfs/dbraw/zinc/13/31/55/1077133155.db2.gz QTSQDHZYNHGREW-UHFFFAOYSA-N -1 0 324.720 2.069 20 10 DECDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C\c2cccnc2C)n1 ZINC001600537890 1077218097 /nfs/dbraw/zinc/21/80/97/1077218097.db2.gz RNTYCPVYWDWGRN-HJWRWDBZSA-N -1 0 311.341 2.224 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1 ZINC001601155865 1077349333 /nfs/dbraw/zinc/34/93/33/1077349333.db2.gz ZJYDDISGBDUBTB-UHFFFAOYSA-N -1 0 318.333 2.318 20 10 DECDRM O=C([O-])[C@H](CNC(=O)c1ccccc1)Sc1nccs1 ZINC001601469435 1077398979 /nfs/dbraw/zinc/39/89/79/1077398979.db2.gz YRDHMHWNTNACRT-JTQLQIEISA-N -1 0 308.384 2.118 20 10 DECDRM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1cccc(Br)c1[O-] ZINC001601639051 1077423108 /nfs/dbraw/zinc/42/31/08/1077423108.db2.gz GBEDTQJNORMTDK-MRVPVSSYSA-N -1 0 324.121 2.353 20 10 DECDRM O=C([O-])CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC001601936262 1077478871 /nfs/dbraw/zinc/47/88/71/1077478871.db2.gz MYDPEEOJTCWIQA-UHFFFAOYSA-N -1 0 317.744 2.298 20 10 DECDRM O=C([O-])c1cc(C2C[NH+](Cc3ccc(Cl)cc3O)C2)[nH]n1 ZINC001602253689 1077534066 /nfs/dbraw/zinc/53/40/66/1077534066.db2.gz GRURIBWNRYOAJA-UHFFFAOYSA-N -1 0 307.737 2.066 20 10 DECDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C/c1cncc(O)c1 ZINC001608921328 1077721145 /nfs/dbraw/zinc/72/11/45/1077721145.db2.gz DGIVWJMRSSQUEU-DAFODLJHSA-N -1 0 310.309 2.088 20 10 DECDRM C[C@@H](CC(=O)[O-])SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001609735547 1077913280 /nfs/dbraw/zinc/91/32/80/1077913280.db2.gz IWDGZMWQNCOGCX-LBPRGKRZSA-N -1 0 324.446 2.307 20 10 DECDRM COc1cc(N(C)Cc2ccc(C(=O)[O-])[nH]2)cc(OC)c1OC ZINC001610296051 1078000793 /nfs/dbraw/zinc/00/07/93/1078000793.db2.gz KERBRVYCAUCKQL-UHFFFAOYSA-N -1 0 320.345 2.375 20 10 DECDRM CNC(=O)Oc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001651042158 1079786019 /nfs/dbraw/zinc/78/60/19/1079786019.db2.gz CJVKRKKFFBRYON-UHFFFAOYSA-N -1 0 320.276 2.207 20 10 DECDRM C[N@H+](CCF)Cc1cccc(I)c1[O-] ZINC001237789910 1080490210 /nfs/dbraw/zinc/49/02/10/1080490210.db2.gz WJHWONSNZSYOBA-UHFFFAOYSA-N -1 0 309.122 2.398 20 10 DECDRM CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])[n-]1 ZINC001665101830 1080990433 /nfs/dbraw/zinc/99/04/33/1080990433.db2.gz KQKCPAQMVLJGKU-QMMMGPOBSA-N -1 0 324.768 2.191 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)CC(C)C)c1C(N)=O ZINC001259877904 1083404423 /nfs/dbraw/zinc/40/44/23/1083404423.db2.gz ACILTFBJERDLHN-UHFFFAOYSA-N -1 0 304.437 2.116 20 10 DECDRM O=c1cc(-c2nc(-c3ccc4nccnc4c3)no2)cc([O-])[nH]1 ZINC001212566214 1086559156 /nfs/dbraw/zinc/55/91/56/1086559156.db2.gz JHCRMKJLDDQGHA-UHFFFAOYSA-N -1 0 307.269 2.153 20 10 DECDRM CN(CCF)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251418830 1142429493 /nfs/dbraw/zinc/42/94/93/1142429493.db2.gz LLSQNQWQDGTHQK-UHFFFAOYSA-N -1 0 302.154 2.289 20 10 DECDRM O=S(=O)([N-]Cc1cc2ccccc2cc1O)C(F)(F)F ZINC001252389876 1142701794 /nfs/dbraw/zinc/70/17/94/1142701794.db2.gz FLBPAECBOXBUGT-UHFFFAOYSA-N -1 0 305.277 2.485 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NC2(C(=O)[O-])CC2)cc1F ZINC001339748261 1143092480 /nfs/dbraw/zinc/09/24/80/1143092480.db2.gz YFYSIPXWAFPPIG-UHFFFAOYSA-N -1 0 323.368 2.088 20 10 DECDRM CN(CCCC(=O)[O-])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001342699165 1143831123 /nfs/dbraw/zinc/83/11/23/1143831123.db2.gz GTJDCNCDMLMXGQ-UHFFFAOYSA-N -1 0 317.389 2.069 20 10 DECDRM CC(C)OC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)[O-] ZINC001332213617 1144212688 /nfs/dbraw/zinc/21/26/88/1144212688.db2.gz IKQNNKJVFVMZOD-JTQLQIEISA-N -1 0 305.733 2.153 20 10 DECDRM Cc1nc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001327440400 1148555536 /nfs/dbraw/zinc/55/55/36/1148555536.db2.gz RVEYFRHKPPUWFB-ZCFIWIBFSA-N -1 0 312.713 2.496 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNCc2noc3c2CCCC3)c1 ZINC000288440331 131324868 /nfs/dbraw/zinc/32/48/68/131324868.db2.gz LWAOPLYPFVIURK-UHFFFAOYSA-N -1 0 303.318 2.457 20 10 DECDRM O=C(C[C@H]1CCCO1)NCc1cccc(Br)c1O ZINC000277598391 403235105 /nfs/dbraw/zinc/23/51/05/403235105.db2.gz TXLASEXTFKMDDM-SNVBAGLBSA-N -1 0 314.179 2.340 20 10 DECDRM COCC[C@H]1COCCN1Cc1c([O-])ccc(Cl)c1F ZINC000365795374 404722235 /nfs/dbraw/zinc/72/22/35/404722235.db2.gz AQUUWBKBVXQXCC-JTQLQIEISA-N -1 0 303.761 2.422 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000737089371 599975438 /nfs/dbraw/zinc/97/54/38/599975438.db2.gz TXZOWFZHYMRVRB-NWDGAFQWSA-N -1 0 308.353 2.009 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000317153886 600803200 /nfs/dbraw/zinc/80/32/00/600803200.db2.gz PAJAHQKOPWWSKG-OUHYUALJSA-N -1 0 304.302 2.060 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000320633443 601126053 /nfs/dbraw/zinc/12/60/53/601126053.db2.gz CCRFOPMZXMRCKJ-UONOGXRCSA-N -1 0 304.390 2.260 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@@](F)(C(=O)[O-])C2)c1O ZINC000825946885 601435310 /nfs/dbraw/zinc/43/53/10/601435310.db2.gz VNTFMBYJENRVDQ-AWEZNQCLSA-N -1 0 315.728 2.247 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000833194953 601681388 /nfs/dbraw/zinc/68/13/88/601681388.db2.gz AXCGGXVDRULVFY-ZENLRNHISA-N -1 0 318.329 2.309 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000828355638 603432622 /nfs/dbraw/zinc/43/26/22/603432622.db2.gz OAHIOLABSAMQGS-UONOGXRCSA-N -1 0 319.405 2.147 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826912127 603454724 /nfs/dbraw/zinc/45/47/24/603454724.db2.gz QBSBRGIFHCTOMU-UHFFFAOYSA-N -1 0 323.393 2.360 20 10 DECDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NCc1ccccc1O ZINC000826796160 603842426 /nfs/dbraw/zinc/84/24/26/603842426.db2.gz UDQFQHGREYJZRF-GFCCVEGCSA-N -1 0 309.366 2.018 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2CC[C@@H]1CCOC1=O ZINC000832714479 603966185 /nfs/dbraw/zinc/96/61/85/603966185.db2.gz DPZOBORLTDTOMQ-CYBMUJFWSA-N -1 0 318.373 2.160 20 10 DECDRM COC(=O)/C(C)=C\CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000828602460 604093081 /nfs/dbraw/zinc/09/30/81/604093081.db2.gz WLOJPTJAXQMKSK-GHXNOFRVSA-N -1 0 318.373 2.326 20 10 DECDRM CCC[N@H+](CC(=O)[O-])Cc1cccc(Br)c1[O-] ZINC000829475848 604475915 /nfs/dbraw/zinc/47/59/15/604475915.db2.gz OFQUUILKGQPENC-UHFFFAOYSA-N -1 0 302.168 2.451 20 10 DECDRM Cc1cncc(/C=C/C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000832986242 604692611 /nfs/dbraw/zinc/69/26/11/604692611.db2.gz FWCXWHCDITXHJO-MOEXGYKKSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2Cc1ccc(CO)o1 ZINC000834247319 605818007 /nfs/dbraw/zinc/81/80/07/605818007.db2.gz KUWVZPNJTSCZJG-UHFFFAOYSA-N -1 0 316.357 2.492 20 10 DECDRM O=C([O-])N1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000831708304 605878505 /nfs/dbraw/zinc/87/85/05/605878505.db2.gz GBKXLOOREQMFME-AWEZNQCLSA-N -1 0 318.373 2.030 20 10 DECDRM O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1cccnc1 ZINC000120693732 623058302 /nfs/dbraw/zinc/05/83/02/623058302.db2.gz HGKPSXZOERTTRI-UHFFFAOYSA-N -1 0 318.383 2.401 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894666023 637153984 /nfs/dbraw/zinc/15/39/84/637153984.db2.gz GTADTEPNGYPMCC-LBPRGKRZSA-N -1 0 319.373 2.070 20 10 DECDRM CCOC(=O)[C@@H](F)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894857844 637263305 /nfs/dbraw/zinc/26/33/05/637263305.db2.gz RVWJWXYIUPIMCE-LBPRGKRZSA-N -1 0 303.280 2.003 20 10 DECDRM Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000727243125 637791214 /nfs/dbraw/zinc/79/12/14/637791214.db2.gz QWZJNLQPAHNWQI-UHFFFAOYSA-N -1 0 320.399 2.344 20 10 DECDRM CN(Cc1cnn(C)c1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000320423876 639032707 /nfs/dbraw/zinc/03/27/07/639032707.db2.gz TWDKEXCMABJTMH-XQRVVYSFSA-N -1 0 316.317 2.063 20 10 DECDRM COCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000766579982 640895948 /nfs/dbraw/zinc/89/59/48/640895948.db2.gz JGAUPXQFTJDAQL-UHFFFAOYSA-N -1 0 319.342 2.170 20 10 DECDRM CN(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000780350641 642615188 /nfs/dbraw/zinc/61/51/88/642615188.db2.gz QCQBDWZVLOIKMR-CYBMUJFWSA-N -1 0 307.394 2.051 20 10 DECDRM O=C(COC(=O)c1ccncc1Cl)c1ccc(O)c(O)c1 ZINC000783948648 643070246 /nfs/dbraw/zinc/07/02/46/643070246.db2.gz YNXCCIWQCICUEK-UHFFFAOYSA-N -1 0 307.689 2.186 20 10 DECDRM COC(=O)[C@@H](NCc1cccc(Br)c1[O-])C1CC1 ZINC000789573291 643750526 /nfs/dbraw/zinc/75/05/26/643750526.db2.gz JGJAGQIJZDEXAP-NSHDSACASA-N -1 0 314.179 2.196 20 10 DECDRM COC(=O)[C@@H](CC(F)F)NCc1cc(Cl)cc(F)c1[O-] ZINC000789582629 643751584 /nfs/dbraw/zinc/75/15/84/643751584.db2.gz SQNITVOILAEGEQ-SECBINFHSA-N -1 0 311.687 2.471 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175090 644084204 /nfs/dbraw/zinc/08/42/04/644084204.db2.gz NEODDNBIINBOGH-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM COC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000792178372 644085130 /nfs/dbraw/zinc/08/51/30/644085130.db2.gz DGPUVFAIUZNUET-UWVGGRQHSA-N -1 0 303.761 2.420 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000797820249 644928048 /nfs/dbraw/zinc/92/80/48/644928048.db2.gz NJWRCWGXDVRRJY-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000800842535 645311205 /nfs/dbraw/zinc/31/12/05/645311205.db2.gz XQORLEPEVZOHET-UHFFFAOYSA-N -1 0 321.354 2.484 20 10 DECDRM CN1CCCc2cc(CNC(=O)C3(C(=O)[O-])CCCC3)ccc21 ZINC000911301795 645673448 /nfs/dbraw/zinc/67/34/48/645673448.db2.gz PWAIBDIPECOCFR-UHFFFAOYSA-N -1 0 316.401 2.330 20 10 DECDRM CCCCO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911487815 645721953 /nfs/dbraw/zinc/72/19/53/645721953.db2.gz WMOSHIVQYCWXIF-LBPRGKRZSA-N -1 0 309.362 2.011 20 10 DECDRM CO[C@H]1CCCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911490095 645722646 /nfs/dbraw/zinc/72/26/46/645722646.db2.gz XTMCTQWGFTYVOS-HIFRSBDPSA-N -1 0 321.373 2.011 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164941551 646479455 /nfs/dbraw/zinc/47/94/55/646479455.db2.gz CDEKDQWACKKZFO-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM O=C(Cc1cncnc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000811528805 646540492 /nfs/dbraw/zinc/54/04/92/646540492.db2.gz IPWNWMPPWMSODF-UHFFFAOYSA-N -1 0 312.156 2.348 20 10 DECDRM CNC(=O)CCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813682375 646799623 /nfs/dbraw/zinc/79/96/23/646799623.db2.gz CPNPNRMDQGPXNM-UHFFFAOYSA-N -1 0 319.188 2.232 20 10 DECDRM COC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816586478 647155882 /nfs/dbraw/zinc/15/58/82/647155882.db2.gz IYZSWVCJLUFHSV-ONGXEEELSA-N -1 0 303.761 2.420 20 10 DECDRM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](CO)O1 ZINC000817413406 647289159 /nfs/dbraw/zinc/28/91/59/647289159.db2.gz XKKCGPOLFBGLRQ-SNVBAGLBSA-N -1 0 303.761 2.156 20 10 DECDRM COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825158733 648714439 /nfs/dbraw/zinc/71/44/39/648714439.db2.gz XTAUADIFZOISLA-AWEZNQCLSA-N -1 0 303.761 2.016 20 10 DECDRM Cc1cc(O)c(CN2CC(n3cc([C@H](C)O)nn3)C2)cc1Cl ZINC000825461746 648765869 /nfs/dbraw/zinc/76/58/69/648765869.db2.gz NSBVJDPTVOPYJF-JTQLQIEISA-N -1 0 322.796 2.056 20 10 DECDRM Cn1nccc1[C@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000846116597 651309052 /nfs/dbraw/zinc/30/90/52/651309052.db2.gz UYPYBBLDDQUZKD-CQSZACIVSA-N -1 0 307.781 2.353 20 10 DECDRM COc1ccc(N(C)CCN(C)C(=O)CCCCC(=O)[O-])cc1 ZINC000848449563 651459795 /nfs/dbraw/zinc/45/97/95/651459795.db2.gz QMYLSWKFKDYMQY-UHFFFAOYSA-N -1 0 322.405 2.235 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000848592995 651476798 /nfs/dbraw/zinc/47/67/98/651476798.db2.gz URIZAKQBANKFBN-ZWNOBZJWSA-N -1 0 324.377 2.118 20 10 DECDRM CC(C)(C)n1nnc(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC000848924270 651562981 /nfs/dbraw/zinc/56/29/81/651562981.db2.gz ZILRXMKDBCJOMP-UHFFFAOYSA-N -1 0 313.764 2.216 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000849364837 651659654 /nfs/dbraw/zinc/65/96/54/651659654.db2.gz QQFHPLMMFGVYNP-OAHLLOKOSA-N -1 0 304.390 2.260 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000851705466 652208465 /nfs/dbraw/zinc/20/84/65/652208465.db2.gz MEBMLHVHCKKMPF-MUEWNTGYSA-N -1 0 318.329 2.165 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C(F)(F)C2)c1O ZINC000852411118 652396924 /nfs/dbraw/zinc/39/69/24/652396924.db2.gz DYCNRBWXQSDWKZ-GFCCVEGCSA-N -1 0 319.735 2.450 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874414276 689407341 /nfs/dbraw/zinc/40/73/41/689407341.db2.gz LVNOAIROOGXLSM-BETUJISGSA-N -1 0 306.362 2.177 20 10 DECDRM CC(C)CC(=O)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686411 778708523 /nfs/dbraw/zinc/70/85/23/778708523.db2.gz YFXKPSSNMDQWOF-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM C[C@@]1(F)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@@H]1F ZINC001147881207 791646466 /nfs/dbraw/zinc/64/64/66/791646466.db2.gz RXFZCJQYRKFOHR-XJKSGUPXSA-N -1 0 321.327 2.078 20 10 DECDRM O=C([O-])C[C@H]1COCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001120002076 795386743 /nfs/dbraw/zinc/38/67/43/795386743.db2.gz QKPYVPZBCXEJGH-GZMMTYOYSA-N -1 0 317.744 2.154 20 10 DECDRM Cc1sc([N-]S(=O)(=O)c2ccsc2)c(C(N)=O)c1C ZINC001185342259 796243236 /nfs/dbraw/zinc/24/32/36/796243236.db2.gz WOSVHAOCTRLMHM-UHFFFAOYSA-N -1 0 316.429 2.326 20 10 DECDRM COC[C@@H]1Cn2ccnc2CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682313 796410245 /nfs/dbraw/zinc/41/02/45/796410245.db2.gz WGNOEUUDVVNDLM-NSHDSACASA-N -1 0 323.343 2.145 20 10 DECDRM CCOCc1ncn2c1CN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580390 796541017 /nfs/dbraw/zinc/54/10/17/796541017.db2.gz AGNFZRVDMHPBFW-UHFFFAOYSA-N -1 0 323.343 2.419 20 10 DECDRM COc1ncnc2c1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140583523 796541891 /nfs/dbraw/zinc/54/18/91/796541891.db2.gz JQPQHEHQSHGMBG-UHFFFAOYSA-N -1 0 307.300 2.027 20 10 DECDRM O=C(NCc1c(O)cccc1O)c1ccc2[n-]c(=S)oc2c1 ZINC001156881281 798101139 /nfs/dbraw/zinc/10/11/39/798101139.db2.gz XEPFTCWMJZFXDV-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cncc1F ZINC001161298889 798822407 /nfs/dbraw/zinc/82/24/07/798822407.db2.gz GDTMRWJPQNTMGK-ZCFIWIBFSA-N -1 0 312.247 2.401 20 10 DECDRM O=C(c1ccc(O)c(O)c1)c1c([O-])cc(O)cc1OC1CC1 ZINC001228519373 803370644 /nfs/dbraw/zinc/37/06/44/803370644.db2.gz NUOHUJGUXIDHDI-UHFFFAOYSA-N -1 0 302.282 2.281 20 10 DECDRM CN(C)c1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000322303023 970870632 /nfs/dbraw/zinc/87/06/32/970870632.db2.gz VOYIOOXOJUVERP-UHFFFAOYSA-N -1 0 312.369 2.310 20 10 DECDRM C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C(=O)[O-] ZINC001589393180 954347226 /nfs/dbraw/zinc/34/72/26/954347226.db2.gz VUJNXUQXGADPAJ-CABZTGNLSA-N -1 0 318.333 2.032 20 10 DECDRM C[C@@H]([NH2+]CCC(=O)[O-])c1cc(Br)cc(F)c1[O-] ZINC001589126771 956165448 /nfs/dbraw/zinc/16/54/48/956165448.db2.gz KYPIPWVNKBZCND-ZCFIWIBFSA-N -1 0 306.131 2.419 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001603199897 972305697 /nfs/dbraw/zinc/30/56/97/972305697.db2.gz QBOJVROJVJFADK-JTQLQIEISA-N -1 0 315.325 2.157 20 10 DECDRM CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000320598932 970683508 /nfs/dbraw/zinc/68/35/08/970683508.db2.gz PLBGADPDZCVZMQ-TXNVCOODSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@H]1CC[C@@](NC(=O)/C=C\c2ccc(O)c(O)c2)(C(=O)[O-])CC1 ZINC001599907714 984944796 /nfs/dbraw/zinc/94/47/96/984944796.db2.gz BSMSDTUIUHMXPN-CITURAEHSA-N -1 0 319.357 2.261 20 10 DECDRM C/C(=C/c1cccnc1)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001589005534 984965583 /nfs/dbraw/zinc/96/55/83/984965583.db2.gz IVIYQIMASWMIHF-HMWXGYMHSA-N -1 0 324.336 2.364 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2C(=O)[O-])c1O ZINC001589268468 985954208 /nfs/dbraw/zinc/95/42/08/985954208.db2.gz RQKILJUWPIVDEU-JQWIXIFHSA-N -1 0 315.728 2.245 20 10 DECDRM CCOc1ccc(CNc2c(=O)[nH]ccc2C(=O)[O-])c(O)c1 ZINC001597105929 986743992 /nfs/dbraw/zinc/74/39/92/986743992.db2.gz XWIFTNKHMSFXQW-UHFFFAOYSA-N -1 0 304.302 2.202 20 10 DECDRM CC(C)(CNC(=O)NCc1cccc(Cl)c1O)CC(=O)[O-] ZINC001590726274 990515826 /nfs/dbraw/zinc/51/58/26/990515826.db2.gz FPCFREFHLSKGJH-UHFFFAOYSA-N -1 0 314.769 2.346 20 10 DECDRM CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001598317471 991303636 /nfs/dbraw/zinc/30/36/36/991303636.db2.gz FYNZZWDMBJCZGX-DZGCQCFKSA-N -1 0 319.405 2.195 20 10 DECDRM CN(Cc1cn[nH]c1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598533022 992809917 /nfs/dbraw/zinc/80/99/17/992809917.db2.gz KYGUHMUHZWOSSA-HWKANZROSA-N -1 0 302.290 2.052 20 10 DECDRM C[C@@H](O)CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001593462077 995381281 /nfs/dbraw/zinc/38/12/81/995381281.db2.gz DITYOPKSRCTXCI-KFEJWOFMSA-N -1 0 306.318 2.042 20 10 DECDRM COc1cc(C)cc(C[N@H+](C)[C@@H](COC2CCC2)C(=O)[O-])c1O ZINC001599391831 997052188 /nfs/dbraw/zinc/05/21/88/997052188.db2.gz IHUQOQVRCAEKSR-AWEZNQCLSA-N -1 0 323.389 2.163 20 10 DECDRM CC1(C)C[C@H](O)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604518488 1070420093 /nfs/dbraw/zinc/42/00/93/1070420093.db2.gz ILYAOLVKIQQMFV-RNZFLTOJSA-N -1 0 320.345 2.290 20 10 DECDRM CC1(C)CCC[C@](NC(=O)c2cccc(O)c2O)(C(=O)[O-])C1 ZINC001604529585 1070424119 /nfs/dbraw/zinc/42/41/19/1070424119.db2.gz CQGVMPKWUMUSHD-MRXNPFEDSA-N -1 0 307.346 2.251 20 10 DECDRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001604951311 1070544161 /nfs/dbraw/zinc/54/41/61/1070544161.db2.gz HRMCNNFBYVTFKB-JOYOIKCWSA-N -1 0 320.349 2.468 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001607810944 1071566869 /nfs/dbraw/zinc/56/68/69/1071566869.db2.gz CAABXZIDNLWKJU-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM O=C(NCc1ccccc1O)c1ncc(Br)cc1[O-] ZINC001465990515 1059401679 /nfs/dbraw/zinc/40/16/79/1059401679.db2.gz MAEUDTITIVRCCA-UHFFFAOYSA-N -1 0 323.146 2.185 20 10 DECDRM N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC001580119211 1067500723 /nfs/dbraw/zinc/50/07/23/1067500723.db2.gz RFNPMFHAWGNUDK-QMMMGPOBSA-N -1 0 313.131 2.298 20 10 DECDRM COc1ccc([S@@](C)(=O)=NC(=O)c2cccc(O)c2[O-])cc1 ZINC001645098992 1078878009 /nfs/dbraw/zinc/87/80/09/1078878009.db2.gz RMZWHUCDFKHFIR-JOCHJYFZSA-N -1 0 321.354 2.404 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001235300265 1079011977 /nfs/dbraw/zinc/01/19/77/1079011977.db2.gz WISKFLKGPFXFHM-QWRGUYRKSA-N -1 0 322.149 2.199 20 10 DECDRM Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2[O-])c1C(N)=O ZINC001560616477 1075143184 /nfs/dbraw/zinc/14/31/84/1075143184.db2.gz GABBWFITPYBVMS-UHFFFAOYSA-N -1 0 315.160 2.442 20 10 DECDRM Cc1cc(CC(=O)N2CC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC001600187632 1077155061 /nfs/dbraw/zinc/15/50/61/1077155061.db2.gz VLBLGIZWZHKWJQ-INIZCTEOSA-N -1 0 312.369 2.322 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001600236305 1077166883 /nfs/dbraw/zinc/16/68/83/1077166883.db2.gz RTYISZZFXDXERD-UHFFFAOYSA-N -1 0 301.346 2.017 20 10 DECDRM Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(=O)[O-])[nH]1 ZINC001600255723 1077169732 /nfs/dbraw/zinc/16/97/32/1077169732.db2.gz RHAAFCSNKKKPNS-HWKANZROSA-N -1 0 302.286 2.084 20 10 DECDRM Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)C(=O)[O-])cc1 ZINC001600377568 1077190382 /nfs/dbraw/zinc/19/03/82/1077190382.db2.gz QGRXRBDQXSXCHX-ZDUSSCGKSA-N -1 0 315.325 2.004 20 10 DECDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1cc(C)ccc1O ZINC001600464548 1077206023 /nfs/dbraw/zinc/20/60/23/1077206023.db2.gz GCAHPOLIHPCWQB-UHFFFAOYSA-N -1 0 302.330 2.274 20 10 DECDRM Nc1ccc(Cc2nc(C(=O)OCCCC(=O)[O-])cs2)cc1 ZINC001601216413 1077359149 /nfs/dbraw/zinc/35/91/49/1077359149.db2.gz ZYPOLKNULXTPMU-UHFFFAOYSA-N -1 0 320.370 2.338 20 10 DECDRM Cc1noc(CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001608027864 1077580488 /nfs/dbraw/zinc/58/04/88/1077580488.db2.gz LAHSSASTCBLZLG-XQRVVYSFSA-N -1 0 318.289 2.020 20 10 DECDRM Cn1cccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001608129357 1077596980 /nfs/dbraw/zinc/59/69/80/1077596980.db2.gz LOJWHURLGADKOQ-UHFFFAOYSA-N -1 0 308.765 2.471 20 10 DECDRM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001608533690 1077651701 /nfs/dbraw/zinc/65/17/01/1077651701.db2.gz WZJDUXUKTVRHNI-BXKDBHETSA-N -1 0 317.744 2.297 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001610466060 1078025397 /nfs/dbraw/zinc/02/53/97/1078025397.db2.gz BTQUUYZYBJLINZ-UHFFFAOYSA-N -1 0 301.346 2.017 20 10 DECDRM Cn1ncc2c1nc(NCc1cccc(Cl)c1[O-])[nH]c2=O ZINC001651507063 1079815071 /nfs/dbraw/zinc/81/50/71/1079815071.db2.gz JINZJOXNFBNXNI-UHFFFAOYSA-N -1 0 305.725 2.040 20 10 DECDRM O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cccc(Cl)c1O ZINC001653567172 1079932799 /nfs/dbraw/zinc/93/27/99/1079932799.db2.gz NZHNXYUIECJZQA-NSHDSACASA-N -1 0 300.761 2.096 20 10 DECDRM COc1cc(OC)cc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1 ZINC001212566051 1086559010 /nfs/dbraw/zinc/55/90/10/1086559010.db2.gz AHYNWZAVCPBZCY-UHFFFAOYSA-N -1 0 315.285 2.227 20 10 DECDRM NC(=O)NC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793682 1138429346 /nfs/dbraw/zinc/42/93/46/1138429346.db2.gz NISBRNSXKLHIRC-UHFFFAOYSA-N -1 0 318.204 2.332 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236804230 1138433609 /nfs/dbraw/zinc/43/36/09/1138433609.db2.gz XLYQWSKSMFGMPU-ZJUUUORDSA-N -1 0 317.744 2.140 20 10 DECDRM CNC(=O)C1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237119352 1138507042 /nfs/dbraw/zinc/50/70/42/1138507042.db2.gz DMIWRDFGIVRBQF-UHFFFAOYSA-N -1 0 300.761 2.143 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](F)C1 ZINC001251398697 1142427951 /nfs/dbraw/zinc/42/79/51/1142427951.db2.gz SQJARUKFEKQQJT-ZETCQYMHSA-N -1 0 314.165 2.432 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cccc2cnccc21 ZINC001259150980 1144069839 /nfs/dbraw/zinc/06/98/39/1144069839.db2.gz NQKFVUDMSAQSBT-UHFFFAOYSA-N -1 0 316.338 2.447 20 10 DECDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)cc1 ZINC001259176812 1144072353 /nfs/dbraw/zinc/07/23/53/1144072353.db2.gz MJYYKLFTIFUIFO-UHFFFAOYSA-N -1 0 307.327 2.101 20 10 DECDRM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260435051 1144186774 /nfs/dbraw/zinc/18/67/74/1144186774.db2.gz OMNUWKWEKNEEDJ-SECBINFHSA-N -1 0 319.342 2.077 20 10 DECDRM O=S(=O)(C[C@@H]1CCCCO1)Nc1cc(Cl)c([O-])cc1F ZINC000288221898 131316820 /nfs/dbraw/zinc/31/68/20/131316820.db2.gz MREZQIKAMLQRPL-QMMMGPOBSA-N -1 0 323.773 2.496 20 10 DECDRM CS(=O)(=O)[C@H]1CCCCN(Cc2c(O)cccc2Cl)C1 ZINC000278637678 402868916 /nfs/dbraw/zinc/86/89/16/402868916.db2.gz IRVBZRQBZKEJDA-NSHDSACASA-N -1 0 317.838 2.445 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(=O)[O-] ZINC000818473457 597295587 /nfs/dbraw/zinc/29/55/87/597295587.db2.gz IGLJMKVZERQWCW-UHFFFAOYSA-N -1 0 319.405 2.293 20 10 DECDRM O=C([O-])C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000821511860 598120098 /nfs/dbraw/zinc/12/00/98/598120098.db2.gz UCSYLPPZJIXZSV-UHFFFAOYSA-N -1 0 314.179 2.451 20 10 DECDRM CN(C)c1ccc(CN(C(=O)CCCNC(=O)[O-])C2CC2)cc1 ZINC000737379625 599718096 /nfs/dbraw/zinc/71/80/96/599718096.db2.gz XZVIKBYHBLLEKV-UHFFFAOYSA-N -1 0 319.405 2.291 20 10 DECDRM Cc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)C(=O)[O-])cc1 ZINC000738566344 600364509 /nfs/dbraw/zinc/36/45/09/600364509.db2.gz DPBHPSPHHYWZSS-GFCCVEGCSA-N -1 0 305.355 2.360 20 10 DECDRM CN(Cc1ncc[nH]1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737496938 600545233 /nfs/dbraw/zinc/54/52/33/600545233.db2.gz SEVYVILMBOWEIA-HWKANZROSA-N -1 0 302.290 2.052 20 10 DECDRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000833179225 600723499 /nfs/dbraw/zinc/72/34/99/600723499.db2.gz NUFOZMQOXOVHAS-ZIAGYGMSSA-N -1 0 315.325 2.235 20 10 DECDRM COCCN(C/C=C(\C)C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000831724770 601320733 /nfs/dbraw/zinc/32/07/33/601320733.db2.gz BCZDRQSBGXLTEV-KPKJPENVSA-N -1 0 309.362 2.188 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1ccc(C(=O)NC)cc1 ZINC000830394318 601388374 /nfs/dbraw/zinc/38/83/74/601388374.db2.gz CGYFFRSZKMTRPO-UHFFFAOYSA-N -1 0 303.314 2.479 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830073157 602947769 /nfs/dbraw/zinc/94/77/69/602947769.db2.gz OBIDRZAPSBKWBB-HNNXBMFYSA-N -1 0 319.405 2.210 20 10 DECDRM CC(C)=CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824039016 603025363 /nfs/dbraw/zinc/02/53/63/603025363.db2.gz QRRZWLLNQYKRLU-AWEZNQCLSA-N -1 0 305.378 2.144 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000828354748 603258335 /nfs/dbraw/zinc/25/83/35/603258335.db2.gz BQQCMQFQDBMELT-OAHLLOKOSA-N -1 0 319.405 2.244 20 10 DECDRM Cn1cncc1CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000831046128 603570550 /nfs/dbraw/zinc/57/05/50/603570550.db2.gz MBUDJSKDWNCLBA-UHFFFAOYSA-N -1 0 300.362 2.141 20 10 DECDRM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000821509553 604529472 /nfs/dbraw/zinc/52/94/72/604529472.db2.gz PALIEUYZIRYJLD-JTQLQIEISA-N -1 0 300.152 2.204 20 10 DECDRM Cc1cncc(/C=C/C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000832986241 604692487 /nfs/dbraw/zinc/69/24/87/604692487.db2.gz FWCXWHCDITXHJO-FYCOFBDGSA-N -1 0 324.336 2.282 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)[O-] ZINC000833496347 604948127 /nfs/dbraw/zinc/94/81/27/604948127.db2.gz HPNJMGIUKSHYGU-LBPRGKRZSA-N -1 0 307.394 2.146 20 10 DECDRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000833776086 605528091 /nfs/dbraw/zinc/52/80/91/605528091.db2.gz ULRZZBMRTRPUAJ-XBXARRHUSA-N -1 0 313.309 2.377 20 10 DECDRM O=C([O-])Nc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000833288426 605544930 /nfs/dbraw/zinc/54/49/30/605544930.db2.gz UEUOYEYEEZLGHM-UHFFFAOYSA-N -1 0 302.286 2.118 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2[nH]cnc2C1 ZINC000890761466 623200255 /nfs/dbraw/zinc/20/02/55/623200255.db2.gz SUYLGNFCJWYYHY-VIFPVBQESA-N -1 0 305.765 2.190 20 10 DECDRM CCOC(=O)[C@H](C)NCc1cccc(Br)c1[O-] ZINC000049370801 623792739 /nfs/dbraw/zinc/79/27/39/623792739.db2.gz KDQVJBPHWLVYIA-QMMMGPOBSA-N -1 0 302.168 2.196 20 10 DECDRM CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000314272348 625799289 /nfs/dbraw/zinc/79/92/89/625799289.db2.gz JWKFZLONYJKZKF-XQRVVYSFSA-N -1 0 306.318 2.308 20 10 DECDRM O=C1NCCN(Cc2cc(F)cc(F)c2[O-])[C@@H]1c1cccs1 ZINC000894050387 636099312 /nfs/dbraw/zinc/09/93/12/636099312.db2.gz SMDGWFZQRIJQFN-CYBMUJFWSA-N -1 0 324.352 2.405 20 10 DECDRM COC1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738233961 637405144 /nfs/dbraw/zinc/40/51/44/637405144.db2.gz MTLRGWFNLTVSNH-UHFFFAOYSA-N -1 0 313.353 2.159 20 10 DECDRM COCc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000741844262 638019472 /nfs/dbraw/zinc/01/94/72/638019472.db2.gz QYPJMOFUKISJOQ-WJDWOHSUSA-N -1 0 308.337 2.294 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000756333631 639650699 /nfs/dbraw/zinc/65/06/99/639650699.db2.gz RQOYUBOEHDPNMC-CQSZACIVSA-N -1 0 320.276 2.355 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000758775504 639993779 /nfs/dbraw/zinc/99/37/79/639993779.db2.gz XXBADZMPRDUTRH-UHFFFAOYSA-N -1 0 310.331 2.000 20 10 DECDRM C[C@@H](NC(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043597 640516708 /nfs/dbraw/zinc/51/67/08/640516708.db2.gz JJNZBPKGKGXSBK-RISCZKNCSA-N -1 0 305.378 2.072 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1-c1ccccn1 ZINC000769462398 641243570 /nfs/dbraw/zinc/24/35/70/641243570.db2.gz QLOIKTMLCJCMDC-JTQLQIEISA-N -1 0 301.346 2.082 20 10 DECDRM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775651263 642073150 /nfs/dbraw/zinc/07/31/50/642073150.db2.gz LGJQDSOILHHFOB-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776745876 642202820 /nfs/dbraw/zinc/20/28/20/642202820.db2.gz OKJPCIMUFAJNPR-UHFFFAOYSA-N -1 0 309.391 2.051 20 10 DECDRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000776747345 642203170 /nfs/dbraw/zinc/20/31/70/642203170.db2.gz BVUSBDBINRJFDJ-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1O ZINC000797820339 644928030 /nfs/dbraw/zinc/92/80/30/644928030.db2.gz SGVMZBWOJSRLHH-UHFFFAOYSA-N -1 0 319.342 2.078 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ncn1 ZINC000910339532 645414004 /nfs/dbraw/zinc/41/40/04/645414004.db2.gz GXGGIJMCTYKXDA-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@](F)(CO)C1 ZINC000802661006 645542037 /nfs/dbraw/zinc/54/20/37/645542037.db2.gz DDUZJUQZRMPSIV-GFCCVEGCSA-N -1 0 304.159 2.061 20 10 DECDRM Cc1cc(C(=O)[O-])oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000911118829 645635793 /nfs/dbraw/zinc/63/57/93/645635793.db2.gz CZAXUVDAFOVOSG-UHFFFAOYSA-N -1 0 302.330 2.282 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(=O)[O-])on1 ZINC000911119516 645636096 /nfs/dbraw/zinc/63/60/96/645636096.db2.gz XKIXKXXJGYEZOG-UHFFFAOYSA-N -1 0 317.345 2.101 20 10 DECDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000911221398 645654959 /nfs/dbraw/zinc/65/49/59/645654959.db2.gz BFXFMSMTSOPGTF-JKSUJKDBSA-N -1 0 316.401 2.404 20 10 DECDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492800 645723333 /nfs/dbraw/zinc/72/33/33/645723333.db2.gz JNJJKUCFCOAYBP-CABNGKKXSA-N -1 0 303.358 2.098 20 10 DECDRM COc1ccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c(O)c1 ZINC000911720141 645792701 /nfs/dbraw/zinc/79/27/01/645792701.db2.gz WTONTZJAWYRSHT-UHFFFAOYSA-N -1 0 321.373 2.298 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1csnn1 ZINC000813684667 646799376 /nfs/dbraw/zinc/79/93/76/646799376.db2.gz UEXGTTXIPONZHG-UHFFFAOYSA-N -1 0 304.158 2.481 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CSC(=O)N1 ZINC000813683044 646799605 /nfs/dbraw/zinc/79/96/05/646799605.db2.gz RANLNWZEDWFSFX-MRVPVSSYSA-N -1 0 321.185 2.140 20 10 DECDRM Cc1ccccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000088715127 646913084 /nfs/dbraw/zinc/91/30/84/646913084.db2.gz CDIYPEXWCSWMEU-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM COC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)O1 ZINC000816586476 647155383 /nfs/dbraw/zinc/15/53/83/647155383.db2.gz IYZSWVCJLUFHSV-KOLCDFICSA-N -1 0 303.761 2.420 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCS(=O)(=O)C1 ZINC000763672397 647455523 /nfs/dbraw/zinc/45/55/23/647455523.db2.gz OYPRTEGNIYTWBT-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000732605188 647630762 /nfs/dbraw/zinc/63/07/62/647630762.db2.gz VANZQHOOABJPIM-UHFFFAOYSA-N -1 0 324.377 2.313 20 10 DECDRM CC(C)C[C@H](CCO)CNC(=O)NCc1c(O)cccc1F ZINC000921143598 648276181 /nfs/dbraw/zinc/27/61/81/648276181.db2.gz DFPJGZKBRZUTGR-LBPRGKRZSA-N -1 0 312.385 2.375 20 10 DECDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F ZINC000000414673 649507538 /nfs/dbraw/zinc/50/75/38/649507538.db2.gz MQIRWIZRWMBUAP-UHFFFAOYSA-N -1 0 307.306 2.471 20 10 DECDRM CO[C@@H](C)c1nsc(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000831352727 649576942 /nfs/dbraw/zinc/57/69/42/649576942.db2.gz AAQXYJQSRBPYHM-YFKPBYRVSA-N -1 0 313.310 2.048 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000844209773 651092971 /nfs/dbraw/zinc/09/29/71/651092971.db2.gz NKUKGTJYNAQAAY-LOMYTOQZSA-N -1 0 306.343 2.387 20 10 DECDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844252786 651099894 /nfs/dbraw/zinc/09/98/94/651099894.db2.gz YZJRULYUEOFOTQ-OAHLLOKOSA-N -1 0 304.390 2.260 20 10 DECDRM Cc1nnc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1C1CC1 ZINC000846279810 651319898 /nfs/dbraw/zinc/31/98/98/651319898.db2.gz MBKJDESYUHYWPK-UHFFFAOYSA-N -1 0 316.361 2.021 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000848592992 651476960 /nfs/dbraw/zinc/47/69/60/651476960.db2.gz URIZAKQBANKFBN-GWCFXTLKSA-N -1 0 324.377 2.118 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CCn3cncc3C2)c1O ZINC000852061208 652328198 /nfs/dbraw/zinc/32/81/98/652328198.db2.gz PPCGDYMXUZTDLU-UHFFFAOYSA-N -1 0 305.765 2.461 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC=CC1 ZINC000852950553 652483490 /nfs/dbraw/zinc/48/34/90/652483490.db2.gz JLQRATZGXWROMZ-UHFFFAOYSA-N -1 0 314.385 2.324 20 10 DECDRM COC[C@H]1CN(Cc2cccc(Br)c2[O-])CCO1 ZINC000093528938 684050357 /nfs/dbraw/zinc/05/03/57/684050357.db2.gz UTNCAMBCFFNDJE-LLVKDONJSA-N -1 0 316.195 2.002 20 10 DECDRM CC(C)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000929047100 693886157 /nfs/dbraw/zinc/88/61/57/693886157.db2.gz ZUHIPTXGDUQVKB-GFCCVEGCSA-N -1 0 307.394 2.318 20 10 DECDRM C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877424762 690108333 /nfs/dbraw/zinc/10/83/33/690108333.db2.gz OXKIVWSQQRNBSD-SECBINFHSA-N -1 0 300.349 2.405 20 10 DECDRM COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(F)c(F)c1[O-] ZINC000877470230 690123118 /nfs/dbraw/zinc/12/31/18/690123118.db2.gz ZQBANELLXIQGOD-MRVPVSSYSA-N -1 0 313.222 2.254 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CCO[C@H]2C[C@H]21 ZINC001144307571 790854620 /nfs/dbraw/zinc/85/46/20/790854620.db2.gz AICKIEHJCPKMIB-PWSUYJOCSA-N -1 0 302.143 2.267 20 10 DECDRM O=C1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306399 790855461 /nfs/dbraw/zinc/85/54/61/790855461.db2.gz AHSMLOIQTRHNQI-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM COc1cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(C)cn1 ZINC001147881456 791646741 /nfs/dbraw/zinc/64/67/41/791646741.db2.gz XMJRCKMUDBPJBG-UHFFFAOYSA-N -1 0 324.340 2.130 20 10 DECDRM O=C([O-])C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC001119611657 795329681 /nfs/dbraw/zinc/32/96/81/795329681.db2.gz KURFWYASJQTJKO-ZDUSSCGKSA-N -1 0 315.316 2.030 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1ccon1 ZINC001139130934 796330370 /nfs/dbraw/zinc/33/03/70/796330370.db2.gz KIQKIZTWYGXYDM-UHFFFAOYSA-N -1 0 300.314 2.427 20 10 DECDRM CN(Cc1nnc2ccccn21)Cc1c([O-])cc(F)cc1F ZINC001140582945 796540866 /nfs/dbraw/zinc/54/08/66/796540866.db2.gz QHTPRKPOLRDJRB-UHFFFAOYSA-N -1 0 304.300 2.345 20 10 DECDRM CCCCOC(=O)[C@H](C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626326 797595249 /nfs/dbraw/zinc/59/52/49/797595249.db2.gz UVUPRKVGDGSJSC-QMMMGPOBSA-N -1 0 315.753 2.213 20 10 DECDRM CCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000935990895 800821009 /nfs/dbraw/zinc/82/10/09/800821009.db2.gz BZVAEUIURAUWBG-UHFFFAOYSA-N -1 0 315.160 2.240 20 10 DECDRM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454343 801668554 /nfs/dbraw/zinc/66/85/54/801668554.db2.gz VJNPVGMVPDOXBT-UHFFFAOYSA-N -1 0 322.361 2.101 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1OC1COCOC1 ZINC001227937312 803297528 /nfs/dbraw/zinc/29/75/28/803297528.db2.gz IIEWQTODNBJNHL-UHFFFAOYSA-N -1 0 316.309 2.081 20 10 DECDRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001602796851 971564062 /nfs/dbraw/zinc/56/40/62/971564062.db2.gz JEKWEYKRLPLJMG-NSHDSACASA-N -1 0 303.314 2.235 20 10 DECDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC001594727164 957015814 /nfs/dbraw/zinc/01/58/14/957015814.db2.gz RHUQYUCRMKEZFE-CHWSQXEVSA-N -1 0 313.309 2.141 20 10 DECDRM Cc1cc(CNC(=O)[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001594304444 957952731 /nfs/dbraw/zinc/95/27/31/957952731.db2.gz MWMMHODBHVTANQ-LBPRGKRZSA-N -1 0 300.358 2.431 20 10 DECDRM C[C@]1(CO)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001261502260 960735055 /nfs/dbraw/zinc/73/50/55/960735055.db2.gz FFAJDRZWTUTOJY-LEXSJLIMSA-N -1 0 320.345 2.291 20 10 DECDRM CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001262162245 960801180 /nfs/dbraw/zinc/80/11/80/960801180.db2.gz JCNKBIRPZSWDBJ-UHFFFAOYSA-N -1 0 320.158 2.494 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)CC(=O)[O-] ZINC001596586581 984515771 /nfs/dbraw/zinc/51/57/71/984515771.db2.gz DKYAJDSMWKUWLY-UHFFFAOYSA-N -1 0 314.378 2.385 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cc(C(=O)[O-])co2)cc1F ZINC001598320362 991314926 /nfs/dbraw/zinc/31/49/26/991314926.db2.gz AGBWCYQIYBQWQP-UHFFFAOYSA-N -1 0 306.293 2.113 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1ccoc1C(=O)[O-] ZINC001598333949 991376774 /nfs/dbraw/zinc/37/67/74/991376774.db2.gz UCGULQXDOHCOEK-UHFFFAOYSA-N -1 0 302.330 2.443 20 10 DECDRM CC(C)Cn1ncnc1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001591538725 992717603 /nfs/dbraw/zinc/71/76/03/992717603.db2.gz LTONHXDKMHHKNP-UHFFFAOYSA-N -1 0 318.377 2.277 20 10 DECDRM COc1ccc(N(C)C[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1OC ZINC001599584011 993588185 /nfs/dbraw/zinc/58/81/85/993588185.db2.gz LECBOPYDJOWFFV-BXKDBHETSA-N -1 0 301.289 2.106 20 10 DECDRM COc1ccc(N(C)C[C@@H]2CC(C(=O)[O-])=C(C)O2)cc1OC ZINC001599584296 993591727 /nfs/dbraw/zinc/59/17/27/993591727.db2.gz PFOVBCBUXVMZCL-LBPRGKRZSA-N -1 0 307.346 2.288 20 10 DECDRM C[C@H](O)CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001593462078 995380611 /nfs/dbraw/zinc/38/06/11/995380611.db2.gz DITYOPKSRCTXCI-NXSJDDFASA-N -1 0 306.318 2.042 20 10 DECDRM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC001594169051 998652614 /nfs/dbraw/zinc/65/26/14/998652614.db2.gz ZTHJGEURBIGDIX-PSASIEDQSA-N -1 0 314.179 2.450 20 10 DECDRM COC(=O)c1cncc(CSc2ncc(C(=O)[O-])s2)c1 ZINC001599010698 998895708 /nfs/dbraw/zinc/89/57/08/998895708.db2.gz CSGKYHQTQZBDRL-UHFFFAOYSA-N -1 0 310.356 2.315 20 10 DECDRM O=C([O-])c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC001602654936 1069713437 /nfs/dbraw/zinc/71/34/37/1069713437.db2.gz IZIMBNLJCVWASG-DHZHZOJOSA-N -1 0 306.343 2.434 20 10 DECDRM CC1CCN(C(=O)CSc2ncc(C(=O)[O-])s2)CC1 ZINC001604742923 1070483707 /nfs/dbraw/zinc/48/37/07/1070483707.db2.gz FWUCUHQKGZWHIA-UHFFFAOYSA-N -1 0 300.405 2.192 20 10 DECDRM CN(C[C@H](O)c1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001606095339 1071040417 /nfs/dbraw/zinc/04/04/17/1071040417.db2.gz JNOBAFKPVFSEDS-INIZCTEOSA-N -1 0 319.332 2.459 20 10 DECDRM CCOC(=O)c1cc(NC(=O)c2c(F)ccc(O)c2[O-])cn1C ZINC001457693942 1058015952 /nfs/dbraw/zinc/01/59/52/1058015952.db2.gz NDMNZJYEYAETFY-UHFFFAOYSA-N -1 0 322.292 2.004 20 10 DECDRM CNC(=O)Nc1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001472482531 1060517919 /nfs/dbraw/zinc/51/79/19/1060517919.db2.gz NWKYSRZGUDPIEE-UHFFFAOYSA-N -1 0 319.292 2.241 20 10 DECDRM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610716301 1078066313 /nfs/dbraw/zinc/06/63/13/1078066313.db2.gz ZTRKMMBVHRXPPC-SSDOTTSWSA-N -1 0 324.667 2.152 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001633282956 1078402029 /nfs/dbraw/zinc/40/20/29/1078402029.db2.gz QYSAKBTWPRQUTG-UHFFFAOYSA-N -1 0 302.286 2.244 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001641733443 1078725940 /nfs/dbraw/zinc/72/59/40/1078725940.db2.gz WFBRRVMHQLHGCO-UHFFFAOYSA-N -1 0 302.286 2.244 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001596912756 1077084817 /nfs/dbraw/zinc/08/48/17/1077084817.db2.gz RDADRYHWTJVDSK-UHFFFAOYSA-N -1 0 306.249 2.075 20 10 DECDRM Cc1c(NCc2cc(Cl)cc(F)c2O)cnn1CC(=O)[O-] ZINC001600053095 1077130151 /nfs/dbraw/zinc/13/01/51/1077130151.db2.gz NUSDIXUZFZUOOO-UHFFFAOYSA-N -1 0 313.716 2.386 20 10 DECDRM Cc1ncccc1/C=C/C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001600752117 1077263264 /nfs/dbraw/zinc/26/32/64/1077263264.db2.gz WDMHNHRCZPGMBC-RMKNXTFCSA-N -1 0 323.352 2.476 20 10 DECDRM O=C([O-])c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c[nH]1 ZINC001601530578 1077407432 /nfs/dbraw/zinc/40/74/32/1077407432.db2.gz HJTSDQFMRWGQHX-UHFFFAOYSA-N -1 0 314.341 2.227 20 10 DECDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC001601867789 1077466309 /nfs/dbraw/zinc/46/63/09/1077466309.db2.gz PFDDXZJQVNQBQZ-LBPRGKRZSA-N -1 0 303.339 2.105 20 10 DECDRM O=C([O-])CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1 ZINC001601926428 1077477023 /nfs/dbraw/zinc/47/70/23/1077477023.db2.gz PSWDPXDUHNVNCP-XQRVVYSFSA-N -1 0 305.330 2.015 20 10 DECDRM Nc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC001608273092 1077619778 /nfs/dbraw/zinc/61/97/78/1077619778.db2.gz QOFHYUSNTNOBKP-OWCLPIDISA-N -1 0 316.401 2.303 20 10 DECDRM O=C([O-])[C@H](CS(=O)(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC001608540357 1077652220 /nfs/dbraw/zinc/65/22/20/1077652220.db2.gz RDSLYAGSLDLUNX-CQSZACIVSA-N -1 0 321.354 2.002 20 10 DECDRM O=C([O-])[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1c1ccccc1 ZINC001608808087 1077699222 /nfs/dbraw/zinc/69/92/22/1077699222.db2.gz SMQMZFRUJCMNJG-QWHCGFSZSA-N -1 0 317.366 2.394 20 10 DECDRM CCOc1ccc(CNc2cccc(CC(=O)[O-])n2)c(O)c1 ZINC001610042197 1077971449 /nfs/dbraw/zinc/97/14/49/1077971449.db2.gz HDXDWLVHGVNVKM-UHFFFAOYSA-N -1 0 302.330 2.425 20 10 DECDRM CNC(=O)CN(Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001652996612 1079908237 /nfs/dbraw/zinc/90/82/37/1079908237.db2.gz QKEWAPQINVFYIC-UHFFFAOYSA-N -1 0 320.339 2.419 20 10 DECDRM CNC(=O)CN(Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001665502246 1081034976 /nfs/dbraw/zinc/03/49/76/1081034976.db2.gz PEVPXDIAPUACTQ-UHFFFAOYSA-N -1 0 320.339 2.419 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CCC12COC2 ZINC001235301317 1084377865 /nfs/dbraw/zinc/37/78/65/1084377865.db2.gz GDJGLHBENTYFMA-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM O=c1cc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)cc([O-])[nH]1 ZINC001212565194 1086557171 /nfs/dbraw/zinc/55/71/71/1086557171.db2.gz BVEKXTMMVWDOJB-UHFFFAOYSA-N -1 0 321.296 2.396 20 10 DECDRM COc1ccc(CN2CC(F)(F)C[C@H]2CO)c([O-])c1Cl ZINC001236802109 1138432709 /nfs/dbraw/zinc/43/27/09/1138432709.db2.gz OTNKNKRWFDRQIB-VIFPVBQESA-N -1 0 307.724 2.256 20 10 DECDRM CS(=O)(=O)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798514 1138790960 /nfs/dbraw/zinc/79/09/60/1138790960.db2.gz HMPSBHMJMHWJNJ-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237798811 1138791510 /nfs/dbraw/zinc/79/15/10/1138791510.db2.gz COIZLNYYCBIPIU-QCZZGDTMSA-N -1 0 315.772 2.156 20 10 DECDRM O=S(=O)(N[C@H]1C[C@@H](F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432931 1142431033 /nfs/dbraw/zinc/43/10/33/1142431033.db2.gz UDHHAGASKWXYAR-KNVOCYPGSA-N -1 0 314.165 2.478 20 10 DECDRM Cc1nc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cn1C ZINC001260547583 1144189276 /nfs/dbraw/zinc/18/92/76/1144189276.db2.gz YUXUMZIGOMUXOD-UHFFFAOYSA-N -1 0 317.370 2.388 20 10 DECDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC001260809607 1144209659 /nfs/dbraw/zinc/20/96/59/1144209659.db2.gz KMODVOVYXIMHLU-UHFFFAOYSA-N -1 0 320.370 2.460 20 10 DECDRM O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(O)c1O ZINC001324920616 1147858096 /nfs/dbraw/zinc/85/80/96/1147858096.db2.gz UZLYDWRJSCUSGV-UHFFFAOYSA-N -1 0 314.326 2.264 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1)c1cccc2nsnc21 ZINC000037374603 354166431 /nfs/dbraw/zinc/16/64/31/354166431.db2.gz UJTVUHIMVHEGHT-UHFFFAOYSA-N -1 0 307.356 2.198 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[S@@](=O)C1 ZINC000294799614 224229743 /nfs/dbraw/zinc/22/97/43/224229743.db2.gz VVSINTNZVWENJS-AYLIAGHASA-N -1 0 305.802 2.385 20 10 DECDRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000263298722 225295172 /nfs/dbraw/zinc/29/51/72/225295172.db2.gz ZWQMXEJZEHWLGH-LLVKDONJSA-N -1 0 315.373 2.282 20 10 DECDRM O=C([O-])NCCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739960726 599752334 /nfs/dbraw/zinc/75/23/34/599752334.db2.gz ZEZOOWXDPGERRC-UHFFFAOYSA-N -1 0 319.405 2.341 20 10 DECDRM CN(C[C@@H]1CCCO1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000314736661 599954328 /nfs/dbraw/zinc/95/43/28/599954328.db2.gz BGOFZCJPRKVXIP-HWPRWLFBSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])CSCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000739845012 599962414 /nfs/dbraw/zinc/96/24/14/599962414.db2.gz AHNXVMRJXYYSJX-UHFFFAOYSA-N -1 0 322.430 2.111 20 10 DECDRM CCN(CC(=O)OC)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737079856 600027767 /nfs/dbraw/zinc/02/77/67/600027767.db2.gz UKPPIAPGUJLTRK-UHFFFAOYSA-N -1 0 317.341 2.239 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000737377029 600662555 /nfs/dbraw/zinc/66/25/55/600662555.db2.gz IQWLTKMFVOKJQO-QWHCGFSZSA-N -1 0 322.380 2.399 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832425336 601210695 /nfs/dbraw/zinc/21/06/95/601210695.db2.gz UXHSPAGUVXKKHP-TUAOUCFPSA-N -1 0 321.373 2.469 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000737089026 601867012 /nfs/dbraw/zinc/86/70/12/601867012.db2.gz SAAILQSNLAPAIP-HNNXBMFYSA-N -1 0 321.421 2.441 20 10 DECDRM CC(C)CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824171231 603032254 /nfs/dbraw/zinc/03/22/54/603032254.db2.gz XUILGWXQPZILOE-CQSZACIVSA-N -1 0 307.394 2.224 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830072225 604176586 /nfs/dbraw/zinc/17/65/86/604176586.db2.gz BMLDDLDTYQJPGH-UHFFFAOYSA-N -1 0 319.405 2.258 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCC(N(C)C(=O)[O-])CC2)c1O ZINC000823627120 604223715 /nfs/dbraw/zinc/22/37/15/604223715.db2.gz FCAOYVKASXCOKC-UHFFFAOYSA-N -1 0 324.352 2.308 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000830639309 604323033 /nfs/dbraw/zinc/32/30/33/604323033.db2.gz BZTXVRICDHWADR-UHFFFAOYSA-N -1 0 314.345 2.168 20 10 DECDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1ccccc1O ZINC000832845856 604338980 /nfs/dbraw/zinc/33/89/80/604338980.db2.gz HMUCOCMAFQVFFD-UHFFFAOYSA-N -1 0 302.330 2.308 20 10 DECDRM O=C([O-])[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000236442937 604524267 /nfs/dbraw/zinc/52/42/67/604524267.db2.gz DEPAMKFSDNPMCR-SNVBAGLBSA-N -1 0 300.152 2.204 20 10 DECDRM C[C@@H]1CCOCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833616317 605051684 /nfs/dbraw/zinc/05/16/84/605051684.db2.gz AUCINWOJBICPLE-JOAKQRRISA-N -1 0 306.318 2.308 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)[O-])C2)c1O ZINC000823628612 605935367 /nfs/dbraw/zinc/93/53/67/605935367.db2.gz UDDLVZCBMPMLOO-NSHDSACASA-N -1 0 312.753 2.090 20 10 DECDRM Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1C(=O)[O-] ZINC000314028618 625732854 /nfs/dbraw/zinc/73/28/54/625732854.db2.gz XYXXUORSQQDKGX-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840832961 650364247 /nfs/dbraw/zinc/36/42/47/650364247.db2.gz OLLTYTXWLJCSPS-NSHDSACASA-N -1 0 313.741 2.183 20 10 DECDRM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000758015461 639907125 /nfs/dbraw/zinc/90/71/25/639907125.db2.gz POOLIXLHQSJRCT-UHFFFAOYSA-N -1 0 303.189 2.363 20 10 DECDRM COc1ccsc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000764431434 640634912 /nfs/dbraw/zinc/63/49/12/640634912.db2.gz CRYBESJCVFFAMF-LUAWRHEFSA-N -1 0 300.339 2.218 20 10 DECDRM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000775696072 642081346 /nfs/dbraw/zinc/08/13/46/642081346.db2.gz HMJRAJFVJUHUTE-SECBINFHSA-N -1 0 323.817 2.440 20 10 DECDRM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000775696074 642081632 /nfs/dbraw/zinc/08/16/32/642081632.db2.gz HMJRAJFVJUHUTE-VIFPVBQESA-N -1 0 323.817 2.440 20 10 DECDRM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775699324 642081667 /nfs/dbraw/zinc/08/16/67/642081667.db2.gz CXYLPFQDDXKMMS-SECBINFHSA-N -1 0 323.817 2.440 20 10 DECDRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775713879 642083406 /nfs/dbraw/zinc/08/34/06/642083406.db2.gz KQBLXUDRHNLMJG-BDAKNGLRSA-N -1 0 321.801 2.192 20 10 DECDRM Cc1ccc(F)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000777869093 642316721 /nfs/dbraw/zinc/31/67/21/642316721.db2.gz GWWAXQAQOSAOMY-BJMVGYQFSA-N -1 0 311.359 2.420 20 10 DECDRM COc1ccc2c(c1)CCN2C(=O)c1c(F)ccc(O)c1[O-] ZINC000789964007 643796022 /nfs/dbraw/zinc/79/60/22/643796022.db2.gz PEFZKNRJVPQVJG-UHFFFAOYSA-N -1 0 303.289 2.448 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(O)c1O ZINC000790727803 643886096 /nfs/dbraw/zinc/88/60/96/643886096.db2.gz XLPXOHUOQOESNX-UHFFFAOYSA-N -1 0 300.358 2.402 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(=O)[O-])C(C)C ZINC000843329524 650950088 /nfs/dbraw/zinc/95/00/88/650950088.db2.gz LUQKVIMZPSWVAM-OAHLLOKOSA-N -1 0 306.406 2.458 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1O ZINC000797820424 644927770 /nfs/dbraw/zinc/92/77/70/644927770.db2.gz XGPIGTZQUMJHMO-UHFFFAOYSA-N -1 0 311.363 2.048 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CC1CCSCC1 ZINC000911485190 645721067 /nfs/dbraw/zinc/72/10/67/645721067.db2.gz HMCGVURUXKRGSR-UHFFFAOYSA-N -1 0 323.414 2.339 20 10 DECDRM Cc1cc(C)c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)o1 ZINC000911487855 645721635 /nfs/dbraw/zinc/72/16/35/645721635.db2.gz XJFNZCLHTLPOEA-UHFFFAOYSA-N -1 0 303.314 2.329 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911699995 645784285 /nfs/dbraw/zinc/78/42/85/645784285.db2.gz IDIZPPNBKONMPH-NWDGAFQWSA-N -1 0 314.341 2.058 20 10 DECDRM O=C([O-])CCCCC(=O)NCc1ccc2cccnc2c1O ZINC000911701389 645796665 /nfs/dbraw/zinc/79/66/65/645796665.db2.gz VJAIVSWFQNISEU-UHFFFAOYSA-N -1 0 302.330 2.202 20 10 DECDRM COC(=O)NCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837592 645995431 /nfs/dbraw/zinc/99/54/31/645995431.db2.gz WYBSOXKETPNWDR-UHFFFAOYSA-N -1 0 321.160 2.061 20 10 DECDRM NC(=O)c1cc(NCc2cc(Cl)cc(Cl)c2[O-])ccn1 ZINC000808089191 646029296 /nfs/dbraw/zinc/02/92/96/646029296.db2.gz JCUXAKBROQDSBK-UHFFFAOYSA-N -1 0 312.156 2.227 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)[N@H+]1CCO ZINC000824925615 648673694 /nfs/dbraw/zinc/67/36/94/648673694.db2.gz AHDDHSZCGHVREM-PHIMTYICSA-N -1 0 316.804 2.072 20 10 DECDRM COc1c(O)c(CN(C)Cc2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000827805874 649088482 /nfs/dbraw/zinc/08/84/82/649088482.db2.gz MMFUZPMSFGZKOT-UHFFFAOYSA-N -1 0 324.362 2.101 20 10 DECDRM CC(C)Cc1ncc(NC(=O)c2c(F)ccc(O)c2[O-])cn1 ZINC000830924052 649515654 /nfs/dbraw/zinc/51/56/54/649515654.db2.gz NWQOBPQOKGARQN-UHFFFAOYSA-N -1 0 305.309 2.478 20 10 DECDRM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000848557518 651470489 /nfs/dbraw/zinc/47/04/89/651470489.db2.gz KHVZTHQORJFFHB-PELKAZGASA-N -1 0 324.331 2.491 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000848576911 651473449 /nfs/dbraw/zinc/47/34/49/651473449.db2.gz YEISIHDNOFOKNQ-LBPRGKRZSA-N -1 0 307.394 2.053 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000852952327 652483753 /nfs/dbraw/zinc/48/37/53/652483753.db2.gz LBCHZSBIMPJBRZ-AWEZNQCLSA-N -1 0 306.406 2.424 20 10 DECDRM CCS(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853105799 652502882 /nfs/dbraw/zinc/50/28/82/652502882.db2.gz MBJJANYFLOHNAM-UHFFFAOYSA-N -1 0 320.414 2.103 20 10 DECDRM Cc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000088715303 684018195 /nfs/dbraw/zinc/01/81/95/684018195.db2.gz WJOMXJULJXKEQY-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM CCC1(NC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CCC1 ZINC000872951053 689127843 /nfs/dbraw/zinc/12/78/43/689127843.db2.gz CBQUGEBBQPDWSS-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000872979332 689133014 /nfs/dbraw/zinc/13/30/14/689133014.db2.gz HNZFJWCQIKGOLP-GFCCVEGCSA-N -1 0 322.405 2.137 20 10 DECDRM O=C([O-])[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000874044762 689345000 /nfs/dbraw/zinc/34/50/00/689345000.db2.gz ISJOXOIHHASNQZ-JTQLQIEISA-N -1 0 314.179 2.451 20 10 DECDRM Cc1cc(CN2CCN(Cc3ccc(F)c(F)c3[O-])CC2)no1 ZINC000876548309 689853288 /nfs/dbraw/zinc/85/32/88/689853288.db2.gz BZAYELIYNAXPKF-UHFFFAOYSA-N -1 0 323.343 2.285 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC000398727791 790290133 /nfs/dbraw/zinc/29/01/33/790290133.db2.gz FSWZSZZDYXXHIF-ZJUUUORDSA-N -1 0 324.333 2.159 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(OC2CC(F)(F)C2)c1[O-] ZINC001227620442 779745739 /nfs/dbraw/zinc/74/57/39/779745739.db2.gz HIAJPCVGRKTGTD-UHFFFAOYSA-N -1 0 322.285 2.203 20 10 DECDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887228 791639708 /nfs/dbraw/zinc/63/97/08/791639708.db2.gz IBSWMCQEQCWZNC-CHWSQXEVSA-N -1 0 303.337 2.176 20 10 DECDRM Cc1nc(CN(C)Cc2c([O-])ccc3c(C)cc(=O)oc32)no1 ZINC001139125363 796326267 /nfs/dbraw/zinc/32/62/67/796326267.db2.gz SUGOLDORRHTEJI-UHFFFAOYSA-N -1 0 315.329 2.130 20 10 DECDRM CCOCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1Cl ZINC001187283952 796513796 /nfs/dbraw/zinc/51/37/96/796513796.db2.gz RQZSALCXOHKMPW-UHFFFAOYSA-N -1 0 314.190 2.477 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(CC(F)(F)F)CC1 ZINC001140583449 796540499 /nfs/dbraw/zinc/54/04/99/796540499.db2.gz HEFCQBDLGHBHLU-UHFFFAOYSA-N -1 0 310.266 2.350 20 10 DECDRM Cc1cc(C[C@H](C)NC(=O)c2cc(O)c([O-])c(Cl)c2)on1 ZINC001193589835 797589427 /nfs/dbraw/zinc/58/94/27/797589427.db2.gz RJGZPNCUTBNAJA-ZETCQYMHSA-N -1 0 310.737 2.409 20 10 DECDRM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001213386428 801602781 /nfs/dbraw/zinc/60/27/81/801602781.db2.gz BVGTWTAAELHFTF-UHFFFAOYSA-N -1 0 318.276 2.193 20 10 DECDRM O=C(Nc1c2nonc2ccc1Cl)c1cc2n(n1)CCCO2 ZINC001342950613 1150635116 /nfs/dbraw/zinc/63/51/16/1150635116.db2.gz HSTUMKCTZHJYSC-UHFFFAOYSA-N -1 0 319.708 2.108 20 10 DECDRM CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)C(=O)[O-] ZINC001589705527 950276831 /nfs/dbraw/zinc/27/68/31/950276831.db2.gz IULHETSYGFPFJJ-ZETCQYMHSA-N -1 0 309.343 2.248 20 10 DECDRM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC001594919384 954797317 /nfs/dbraw/zinc/79/73/17/954797317.db2.gz VVYCDOLNFBZRJR-GJBLVYBDSA-N -1 0 309.325 2.095 20 10 DECDRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC001589118013 956106970 /nfs/dbraw/zinc/10/69/70/956106970.db2.gz UOQOJOMKPBJLON-NSHDSACASA-N -1 0 313.357 2.337 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001594286116 957780333 /nfs/dbraw/zinc/78/03/33/957780333.db2.gz NKSLALIHXNIPLX-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(O)c1O ZINC001594346580 958322469 /nfs/dbraw/zinc/32/24/69/958322469.db2.gz YNOOHVDGGUYKBU-UHFFFAOYSA-N -1 0 307.346 2.314 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574334261 960907575 /nfs/dbraw/zinc/90/75/75/960907575.db2.gz ZPUGWRJPZCJTNF-UHOFOFEASA-N -1 0 318.417 2.219 20 10 DECDRM CCC(CC)(CNC(=O)NCc1c(O)cccc1F)C(=O)[O-] ZINC001343057079 962159144 /nfs/dbraw/zinc/15/91/44/962159144.db2.gz VYURQNCIOIGTBA-UHFFFAOYSA-N -1 0 312.341 2.222 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(=O)[O-])o1 ZINC001350801363 962600728 /nfs/dbraw/zinc/60/07/28/962600728.db2.gz NNYWFDCKSGHSLB-UHFFFAOYSA-N -1 0 302.330 2.282 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592883358 979759684 /nfs/dbraw/zinc/75/96/84/979759684.db2.gz QRIDSXNAKNIBDL-RAIGVLPGSA-N -1 0 321.373 2.036 20 10 DECDRM C/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001588937421 984615907 /nfs/dbraw/zinc/61/59/07/984615907.db2.gz GORPYBPRCMVPSM-IEZBTEQYSA-N -1 0 323.352 2.485 20 10 DECDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC001589458528 986903108 /nfs/dbraw/zinc/90/31/08/986903108.db2.gz PDMJEJOPKQZLCE-SJCJKPOMSA-N -1 0 312.369 2.390 20 10 DECDRM COc1ccc(N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001599583849 993586361 /nfs/dbraw/zinc/58/63/61/993586361.db2.gz FJRLTOQWHPJTHI-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 ZINC001602323969 1069605462 /nfs/dbraw/zinc/60/54/62/1069605462.db2.gz URSPQDWJNYQPKS-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001603639059 1070013034 /nfs/dbraw/zinc/01/30/34/1070013034.db2.gz WUGRBIMIHWOSHD-UHFFFAOYSA-N -1 0 309.343 2.153 20 10 DECDRM CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604053411 1070186765 /nfs/dbraw/zinc/18/67/65/1070186765.db2.gz CBPOHHFDMOHHFA-BXUZGUMPSA-N -1 0 319.409 2.022 20 10 DECDRM CN(C[C@@H](O)c1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001606095340 1071040521 /nfs/dbraw/zinc/04/05/21/1071040521.db2.gz JNOBAFKPVFSEDS-MRXNPFEDSA-N -1 0 319.332 2.459 20 10 DECDRM Cc1nn(C)c2ncc(NC(=O)c3c(F)ccc(O)c3[O-])cc12 ZINC001457505261 1057992130 /nfs/dbraw/zinc/99/21/30/1057992130.db2.gz UYKIDRZPRUCIAA-UHFFFAOYSA-N -1 0 316.292 2.079 20 10 DECDRM O=C(NCc1cc(O)ccc1O)c1cc(F)c(F)c([O-])c1F ZINC001644753700 1078861722 /nfs/dbraw/zinc/86/17/22/1078861722.db2.gz GAFWFMZKGMYZHC-UHFFFAOYSA-N -1 0 313.231 2.151 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c(C)n1-c1ccccn1 ZINC001600087234 1077134784 /nfs/dbraw/zinc/13/47/84/1077134784.db2.gz BKPCYZXDNCVMNR-TVRMLOFPSA-N -1 0 313.357 2.248 20 10 DECDRM Cc1cc(CC(=O)N[C@@H](CF)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001600187629 1077155278 /nfs/dbraw/zinc/15/52/78/1077155278.db2.gz VJMHXGNVTVONJG-HNNXBMFYSA-N -1 0 318.348 2.176 20 10 DECDRM Cc1cc(NC(=O)c2cccc(O)c2O)nc(C)c1C(=O)[O-] ZINC001600276463 1077174937 /nfs/dbraw/zinc/17/49/37/1077174937.db2.gz XKKDDZINYRHHBH-UHFFFAOYSA-N -1 0 302.286 2.060 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001600465246 1077206959 /nfs/dbraw/zinc/20/69/59/1077206959.db2.gz UVNKLALKZDCODH-UHFFFAOYSA-N -1 0 303.289 2.468 20 10 DECDRM Cc1oc(CN(C)C(=O)NCc2ccc(N)cc2)cc1C(=O)[O-] ZINC001600840364 1077284408 /nfs/dbraw/zinc/28/44/08/1077284408.db2.gz DCVTXVHPLIKDSA-UHFFFAOYSA-N -1 0 317.345 2.210 20 10 DECDRM O=C([O-])c1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC001601287289 1077372255 /nfs/dbraw/zinc/37/22/55/1077372255.db2.gz KPRMOMKDMDBKHQ-UHFFFAOYSA-N -1 0 317.316 2.479 20 10 DECDRM O=C([O-])C1=CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001601541019 1077409286 /nfs/dbraw/zinc/40/92/86/1077409286.db2.gz APJLYWRRJACSJQ-JTQLQIEISA-N -1 0 310.737 2.018 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001601674493 1077430236 /nfs/dbraw/zinc/43/02/36/1077430236.db2.gz IGKPESDVNDSCMI-HNNXBMFYSA-N -1 0 317.316 2.382 20 10 DECDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccccc1O ZINC001610287937 1078000006 /nfs/dbraw/zinc/00/00/06/1078000006.db2.gz YYPUUFNYSYKSIO-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNc2cn(-c3ccccc3)nn2)c1 ZINC001658190214 1080200206 /nfs/dbraw/zinc/20/02/06/1080200206.db2.gz VRUNJFPYMVWEDK-UHFFFAOYSA-N -1 0 311.301 2.493 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001235057388 1084292003 /nfs/dbraw/zinc/29/20/03/1084292003.db2.gz MSFANTBXHYXVTG-MWLCHTKSSA-N -1 0 322.149 2.199 20 10 DECDRM O=C(Nc1ccc(N2CCCC2)cn1)c1c(F)ccc(O)c1[O-] ZINC001324445154 1142077783 /nfs/dbraw/zinc/07/77/83/1142077783.db2.gz UJPYUDHPCNLNTL-UHFFFAOYSA-N -1 0 317.320 2.484 20 10 DECDRM Cc1cc(CN2CCN(C#N)CC2)c(O)cc1Br ZINC001250136102 1142086194 /nfs/dbraw/zinc/08/61/94/1142086194.db2.gz MSUCLQZYCGFQJZ-UHFFFAOYSA-N -1 0 310.195 2.062 20 10 DECDRM O=S(=O)(NCC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387778 1142425489 /nfs/dbraw/zinc/42/54/89/1142425489.db2.gz JSOKWCFEXLFXGF-UHFFFAOYSA-N -1 0 306.117 2.242 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1ccc(F)c(F)c1F ZINC001259073871 1144063423 /nfs/dbraw/zinc/06/34/23/1144063423.db2.gz OJLASFFZZAOMKN-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1O ZINC001260192070 1144180915 /nfs/dbraw/zinc/18/09/15/1144180915.db2.gz ROYBFHALLHQOLE-SNVBAGLBSA-N -1 0 321.354 2.130 20 10 DECDRM O=S(=O)([N-]c1cccc2cnoc21)c1cccc2nonc21 ZINC001260441904 1144187505 /nfs/dbraw/zinc/18/75/05/1144187505.db2.gz FOUXCMFIIDOSEZ-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM CN(C)c1ccc(/C=C/CNCc2nocc2C(=O)[O-])cc1 ZINC001262163188 1144296880 /nfs/dbraw/zinc/29/68/80/1144296880.db2.gz KKEYNNILSSCYJS-ONEGZZNKSA-N -1 0 301.346 2.242 20 10 DECDRM COCCn1nc(C)c(NCc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000186257037 402415655 /nfs/dbraw/zinc/41/56/55/402415655.db2.gz PPVITKOXJCKPDH-UHFFFAOYSA-N -1 0 320.349 2.372 20 10 DECDRM CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc(Cl)c1[O-] ZINC000180255821 521651116 /nfs/dbraw/zinc/65/11/16/521651116.db2.gz IPMOLWDRFWKRTE-JTQLQIEISA-N -1 0 305.827 2.301 20 10 DECDRM Cc1cc(C(=O)N[C@H](CF)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000262833659 524146552 /nfs/dbraw/zinc/14/65/52/524146552.db2.gz BLYBOYIEAVXNJH-CQSZACIVSA-N -1 0 322.311 2.386 20 10 DECDRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccn1 ZINC000178269657 597502654 /nfs/dbraw/zinc/50/26/54/597502654.db2.gz CEFUNRZGGGBNNT-ZDUSSCGKSA-N -1 0 313.357 2.036 20 10 DECDRM O=C([O-])[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000821511112 598130529 /nfs/dbraw/zinc/13/05/29/598130529.db2.gz CKPHNUNOKAJLCB-SECBINFHSA-N -1 0 300.152 2.061 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN(C)C(=O)[O-] ZINC000737106707 599741394 /nfs/dbraw/zinc/74/13/94/599741394.db2.gz VIDKDFASUPJTLL-UHFFFAOYSA-N -1 0 321.421 2.491 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000737089373 599975387 /nfs/dbraw/zinc/97/53/87/599975387.db2.gz TXZOWFZHYMRVRB-RYUDHWBXSA-N -1 0 308.353 2.009 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C)c(O)c1O ZINC000738547740 599999282 /nfs/dbraw/zinc/99/92/82/599999282.db2.gz WCPMFNVUJSZNCI-UHFFFAOYSA-N -1 0 306.270 2.363 20 10 DECDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)cc1 ZINC000737950902 600359771 /nfs/dbraw/zinc/35/97/71/600359771.db2.gz BQGYOGOYKDUAGN-GFCCVEGCSA-N -1 0 321.354 2.408 20 10 DECDRM CCN(CC(C)(C)O)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737079123 600389572 /nfs/dbraw/zinc/38/95/72/600389572.db2.gz KFCZDYLPOBJUCS-SOFGYWHQSA-N -1 0 308.334 2.290 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738043635 600452040 /nfs/dbraw/zinc/45/20/40/600452040.db2.gz DIODJVDDMJFQKO-UHFFFAOYSA-N -1 0 307.327 2.091 20 10 DECDRM COC[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316101095 600559698 /nfs/dbraw/zinc/55/96/98/600559698.db2.gz IBKWUTOSAOQLSN-KTLBGCOUSA-N -1 0 306.318 2.165 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000738229833 600751728 /nfs/dbraw/zinc/75/17/28/600751728.db2.gz IGGWOUSPGRSFJO-AWEZNQCLSA-N -1 0 319.405 2.067 20 10 DECDRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cn1 ZINC000739025170 601028969 /nfs/dbraw/zinc/02/89/69/601028969.db2.gz BNXJUCHZBJUJIG-WAYWQWQTSA-N -1 0 317.320 2.080 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1occc1C(=O)[O-] ZINC000830643830 601045729 /nfs/dbraw/zinc/04/57/29/601045729.db2.gz MXXPCWFUIPEAAD-UHFFFAOYSA-N -1 0 302.330 2.443 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1-c1ccccn1 ZINC000832863377 601630900 /nfs/dbraw/zinc/63/09/00/601630900.db2.gz IOLZQGUQCGJPHP-OAHLLOKOSA-N -1 0 313.357 2.082 20 10 DECDRM CC(C)(CNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC000826580543 601687326 /nfs/dbraw/zinc/68/73/26/601687326.db2.gz KVIYLLHTZCJDKV-UHFFFAOYSA-N -1 0 320.389 2.181 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000828355636 603432610 /nfs/dbraw/zinc/43/26/10/603432610.db2.gz OAHIOLABSAMQGS-KGLIPLIRSA-N -1 0 319.405 2.147 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)[O-])C2)c1O ZINC000823628607 604368122 /nfs/dbraw/zinc/36/81/22/604368122.db2.gz UDDLVZCBMPMLOO-LLVKDONJSA-N -1 0 312.753 2.090 20 10 DECDRM C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(=O)[O-] ZINC000833630205 604669409 /nfs/dbraw/zinc/66/94/09/604669409.db2.gz PZUGXOWSQKQDGA-XCBNKYQSSA-N -1 0 314.725 2.106 20 10 DECDRM C[C@H]1CCOCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833616318 605052070 /nfs/dbraw/zinc/05/20/70/605052070.db2.gz AUCINWOJBICPLE-MZBZXASESA-N -1 0 306.318 2.308 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C2(NC(=O)[O-])CCCC2)c1 ZINC000829483047 605523085 /nfs/dbraw/zinc/52/30/85/605523085.db2.gz CUGQYSLREGQHBP-JTQLQIEISA-N -1 0 322.361 2.158 20 10 DECDRM O=C([O-])Nc1ccccc1CC(=O)NCc1ccc(O)c(O)c1 ZINC000834274444 605549842 /nfs/dbraw/zinc/54/98/42/605549842.db2.gz MXTYJWMCYQPQKN-UHFFFAOYSA-N -1 0 316.313 2.047 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CCCN2C(=O)[O-])cc1 ZINC000833874318 605677751 /nfs/dbraw/zinc/67/77/51/605677751.db2.gz HWDSWJKDXASILW-KRWDZBQOSA-N -1 0 319.405 2.244 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775735838 625481788 /nfs/dbraw/zinc/48/17/88/625481788.db2.gz ZJGPANQDADYXAH-ZDUSSCGKSA-N -1 0 305.708 2.272 20 10 DECDRM COC(=O)CN(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893947767 636073599 /nfs/dbraw/zinc/07/35/99/636073599.db2.gz NNRUHVWBPWZWPA-UHFFFAOYSA-N -1 0 322.586 2.413 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839156862 637794273 /nfs/dbraw/zinc/79/42/73/637794273.db2.gz JLYHEGWYTUYBCJ-CYBMUJFWSA-N -1 0 306.189 2.018 20 10 DECDRM C[C@@H](O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000840976943 650398655 /nfs/dbraw/zinc/39/86/55/650398655.db2.gz IDKAUHVCISPDFH-PRHODGIISA-N -1 0 306.189 2.281 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCCn2nncc2C1 ZINC000895757553 638183936 /nfs/dbraw/zinc/18/39/36/638183936.db2.gz XKDBEJLQGQCSEK-UHFFFAOYSA-N -1 0 323.194 2.152 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCO2 ZINC000728697284 639288523 /nfs/dbraw/zinc/28/85/23/639288523.db2.gz MOIUWUAKPXQZHX-RVDMUPIBSA-N -1 0 306.321 2.083 20 10 DECDRM O=C([O-])c1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000841494054 650507403 /nfs/dbraw/zinc/50/74/03/650507403.db2.gz ZJOQMGVNSPTBKM-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM O=C(NCc1cc[nH]n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805181179 640066062 /nfs/dbraw/zinc/06/60/62/640066062.db2.gz RZACQZJIHRELHX-UHFFFAOYSA-N -1 0 315.160 2.422 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[S@](=O)C1 ZINC000763647547 640557947 /nfs/dbraw/zinc/55/79/47/640557947.db2.gz FKLBWZMAWWZPHW-UGZDLDLSSA-N -1 0 305.802 2.385 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000322155189 640748630 /nfs/dbraw/zinc/74/86/30/640748630.db2.gz LQHVTZQHDWUSGU-JTQLQIEISA-N -1 0 324.333 2.303 20 10 DECDRM COC(=O)CN(Cc1cccc(Br)c1[O-])C1CC1 ZINC000770292833 641354259 /nfs/dbraw/zinc/35/42/59/641354259.db2.gz UJJFUHSJBRUWHL-UHFFFAOYSA-N -1 0 314.179 2.292 20 10 DECDRM COC(=O)[C@H](COC(C)C)N(C)Cc1cccc(Cl)c1[O-] ZINC000775742681 642088130 /nfs/dbraw/zinc/08/81/30/642088130.db2.gz WCZISBBHUZSKGC-ZDUSSCGKSA-N -1 0 315.797 2.444 20 10 DECDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3)cc12 ZINC000776745910 642203573 /nfs/dbraw/zinc/20/35/73/642203573.db2.gz QFYOHQMXTPRUBN-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2C(=O)[O-])cc1F ZINC000780490559 642631089 /nfs/dbraw/zinc/63/10/89/642631089.db2.gz YVSOMRNIDRQBHY-AWEZNQCLSA-N -1 0 323.368 2.040 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC(F)(F)C[C@H]1CO ZINC000783703229 643038918 /nfs/dbraw/zinc/03/89/18/643038918.db2.gz VKTYLBQIICVDSJ-VIFPVBQESA-N -1 0 322.149 2.357 20 10 DECDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1c(F)ccc(O)c1[O-] ZINC000789976234 643798167 /nfs/dbraw/zinc/79/81/67/643798167.db2.gz HGKBJCVIADVOAM-UHFFFAOYSA-N -1 0 314.276 2.274 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000910383744 645435377 /nfs/dbraw/zinc/43/53/77/645435377.db2.gz LAARKELJPMXFFQ-NBOVPLECSA-N -1 0 318.329 2.308 20 10 DECDRM CN(Cc1ccccc1O)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911231734 645662552 /nfs/dbraw/zinc/66/25/52/645662552.db2.gz XTGIROMGVWVGOH-UHFFFAOYSA-N -1 0 303.358 2.386 20 10 DECDRM Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)oc1C(=O)[O-] ZINC000911300274 645672561 /nfs/dbraw/zinc/67/25/61/645672561.db2.gz IXKVJPTYVWBUAM-UHFFFAOYSA-N -1 0 320.320 2.421 20 10 DECDRM COc1cccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1O ZINC000911336303 645678764 /nfs/dbraw/zinc/67/87/64/645678764.db2.gz DOJSAGAYIIAQEM-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM CC(C)[C@]1(C)C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484392 645720309 /nfs/dbraw/zinc/72/03/09/645720309.db2.gz NDWNMNBMOXONMO-GUYCJALGSA-N -1 0 305.374 2.488 20 10 DECDRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)n1cccc1 ZINC000911487858 645721975 /nfs/dbraw/zinc/72/19/75/645721975.db2.gz XJPQYMRCWOXBJR-CYBMUJFWSA-N -1 0 316.357 2.258 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCCC12CC2 ZINC000911494176 645723077 /nfs/dbraw/zinc/72/30/77/645723077.db2.gz RQMBPPHIACVMFW-CYBMUJFWSA-N -1 0 303.358 2.386 20 10 DECDRM Cc1nn[nH]c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840558 645995972 /nfs/dbraw/zinc/99/59/72/645995972.db2.gz DMUAYLKJGJZKMB-UHFFFAOYSA-N -1 0 301.133 2.056 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000811519348 646539762 /nfs/dbraw/zinc/53/97/62/646539762.db2.gz ZNTFXXXEERKZGD-DTORHVGOSA-N -1 0 321.801 2.192 20 10 DECDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H](CO)O1 ZINC000817412254 647288290 /nfs/dbraw/zinc/28/82/90/647288290.db2.gz HDHURSVWOPTNPI-NSHDSACASA-N -1 0 303.761 2.156 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(F)c1F ZINC000730729916 647387608 /nfs/dbraw/zinc/38/76/08/647387608.db2.gz QTPABQKSTPVFMT-FMIVXFBMSA-N -1 0 300.264 2.426 20 10 DECDRM CCC(CC)(CNC(=O)N(C)Cc1ccccc1O)C(=O)[O-] ZINC000818627414 647492080 /nfs/dbraw/zinc/49/20/80/647492080.db2.gz VJMQHCSYGXAVOW-UHFFFAOYSA-N -1 0 308.378 2.425 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000822898063 648313837 /nfs/dbraw/zinc/31/38/37/648313837.db2.gz HMMLVHJOMRMOSP-UHFFFAOYSA-N -1 0 302.378 2.232 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184602004 649315737 /nfs/dbraw/zinc/31/57/37/649315737.db2.gz OYWIFKGUGIZRNB-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(O)c1 ZINC000185390741 649517163 /nfs/dbraw/zinc/51/71/63/649517163.db2.gz JRHJGRMPPPGUIS-LLVKDONJSA-N -1 0 301.342 2.473 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000831076949 649535672 /nfs/dbraw/zinc/53/56/72/649535672.db2.gz DCUKNSYGIZWQHV-OUAUKWLOSA-N -1 0 322.361 2.014 20 10 DECDRM C[C@H](O)C[C@@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211294 651093385 /nfs/dbraw/zinc/09/33/85/651093385.db2.gz YHXRXOZBVHGGHW-FXOGGVSJSA-N -1 0 320.345 2.432 20 10 DECDRM O=C([O-])/C=C/c1ccc(N(CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000844212599 651094089 /nfs/dbraw/zinc/09/40/89/651094089.db2.gz JUAMSAIYBWKTEU-FNORWQNLSA-N -1 0 306.318 2.044 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C(F)(F)C2)c1O ZINC000852411119 652397149 /nfs/dbraw/zinc/39/71/49/652397149.db2.gz DYCNRBWXQSDWKZ-LBPRGKRZSA-N -1 0 319.735 2.450 20 10 DECDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000852944021 652482023 /nfs/dbraw/zinc/48/20/23/652482023.db2.gz HGVWWHAZKQLQPV-CYBMUJFWSA-N -1 0 314.432 2.242 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000852952260 652483854 /nfs/dbraw/zinc/48/38/54/652483854.db2.gz KMZLWYSXIRLMSI-KRWDZBQOSA-N -1 0 304.390 2.178 20 10 DECDRM CCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC000188180308 684351250 /nfs/dbraw/zinc/35/12/50/684351250.db2.gz KZFCTGZSOXJUPN-UHFFFAOYSA-N -1 0 300.314 2.100 20 10 DECDRM CCN(C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C(=O)[O-] ZINC000929016816 693875268 /nfs/dbraw/zinc/87/52/68/693875268.db2.gz QNOXXDSVVLDTAI-UHFFFAOYSA-N -1 0 307.394 2.147 20 10 DECDRM CO[C@@H](C)c1noc(CN(C)Cc2ccc(F)c(F)c2[O-])n1 ZINC000876795351 689939323 /nfs/dbraw/zinc/93/93/23/689939323.db2.gz NSCCHRQJQGHBQR-QMMMGPOBSA-N -1 0 313.304 2.393 20 10 DECDRM C[C@H](CC(=O)[O-])[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001331983694 1149803675 /nfs/dbraw/zinc/80/36/75/1149803675.db2.gz UGRBYGQEPAXBII-ZCFIWIBFSA-N -1 0 306.131 2.247 20 10 DECDRM COC(=O)C(C)(C)NCc1cc(Br)cc(F)c1[O-] ZINC000715794319 792511689 /nfs/dbraw/zinc/51/16/89/792511689.db2.gz ATIVACVVOPHKBO-UHFFFAOYSA-N -1 0 320.158 2.335 20 10 DECDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1O ZINC001171730128 793186210 /nfs/dbraw/zinc/18/62/10/793186210.db2.gz LACDXALRDHLTEG-VIFPVBQESA-N -1 0 302.286 2.497 20 10 DECDRM CS(=O)(=O)N(c1ccc(C(=O)[O-])s1)c1ccc(N)cc1 ZINC001174809166 794081257 /nfs/dbraw/zinc/08/12/57/794081257.db2.gz CGMPIOQGMREYBP-UHFFFAOYSA-N -1 0 312.372 2.126 20 10 DECDRM CCOC(=O)[C@@H]1CSCCN1Cc1c([O-])cc(F)cc1F ZINC001140584027 796541707 /nfs/dbraw/zinc/54/17/07/796541707.db2.gz CYHWAEIAABXFMD-LBPRGKRZSA-N -1 0 317.357 2.151 20 10 DECDRM O=C(NC[C@@H](O)C1CCCCC1)c1cc(O)c([O-])c(Cl)c1 ZINC001193633747 797597563 /nfs/dbraw/zinc/59/75/63/797597563.db2.gz FUMFLALPEPJLJQ-CYBMUJFWSA-N -1 0 313.781 2.422 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194978904 797810873 /nfs/dbraw/zinc/81/08/73/797810873.db2.gz QBZQBIAPLMNTMO-UHFFFAOYSA-N -1 0 315.354 2.445 20 10 DECDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000200511380 799016131 /nfs/dbraw/zinc/01/61/31/799016131.db2.gz RCZSJZZAARPGRT-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM CCOC(=O)[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452661 801668534 /nfs/dbraw/zinc/66/85/34/801668534.db2.gz QVGLWYJMHIPQTN-ZDUSSCGKSA-N -1 0 307.346 2.008 20 10 DECDRM CCOC(=O)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231565364 801687595 /nfs/dbraw/zinc/68/75/95/801687595.db2.gz UPTMVRWETFMTMD-ZDUSSCGKSA-N -1 0 307.346 2.008 20 10 DECDRM COC(=O)c1cc(Br)c([O-])c(CN2CCC2)c1 ZINC001233305432 802071494 /nfs/dbraw/zinc/07/14/94/802071494.db2.gz FWRUAIKTALPTFX-UHFFFAOYSA-N -1 0 300.152 2.147 20 10 DECDRM COC(=O)c1cc(Br)c([O-])c(CN2CCCO2)c1 ZINC001233306545 802071800 /nfs/dbraw/zinc/07/18/00/802071800.db2.gz UVSDXZWIBPVTOZ-UHFFFAOYSA-N -1 0 316.151 2.079 20 10 DECDRM O=c1oc2cc([O-])c(O)cc2cc1-c1nc(-c2cccnc2)no1 ZINC001217554238 802085296 /nfs/dbraw/zinc/08/52/96/802085296.db2.gz QLODRXKRQPPTQU-UHFFFAOYSA-N -1 0 323.264 2.316 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1[O-] ZINC001227620470 803262241 /nfs/dbraw/zinc/26/22/41/803262241.db2.gz IDDSGWHJUWUJAA-YIZRAAEISA-N -1 0 324.354 2.370 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@@H]1CCO1 ZINC001227938209 803297204 /nfs/dbraw/zinc/29/72/04/803297204.db2.gz UENUWJFZRSDSDH-LBPRGKRZSA-N -1 0 300.310 2.497 20 10 DECDRM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(O)c1O ZINC001611167175 970920308 /nfs/dbraw/zinc/92/03/08/970920308.db2.gz DAALHYXBARADPM-LLVKDONJSA-N -1 0 307.346 2.266 20 10 DECDRM O=C([O-])COc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001602090884 971151520 /nfs/dbraw/zinc/15/15/20/971151520.db2.gz RIQLNAPLGSBDGF-UHFFFAOYSA-N -1 0 313.309 2.012 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CC(=O)[O-])CCC1 ZINC001590346458 950911089 /nfs/dbraw/zinc/91/10/89/950911089.db2.gz MFJSUFSAPKWWCY-UHFFFAOYSA-N -1 0 312.362 2.139 20 10 DECDRM O=C([O-])CCc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000388601806 951336004 /nfs/dbraw/zinc/33/60/04/951336004.db2.gz VYJRSFXOSFRNDL-UHFFFAOYSA-N -1 0 301.298 2.367 20 10 DECDRM Cn1cnc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594556528 955768489 /nfs/dbraw/zinc/76/84/89/955768489.db2.gz LKZUCJFSGVGTBZ-AFNCTOJWSA-N -1 0 311.341 2.038 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589079016 955837540 /nfs/dbraw/zinc/83/75/40/955837540.db2.gz ICGQBSKWEHMIDE-BONVTDFDSA-N -1 0 321.373 2.036 20 10 DECDRM Cc1cc(CC(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001594300603 957902412 /nfs/dbraw/zinc/90/24/12/957902412.db2.gz RHHSBFFBPWIEIP-UHFFFAOYSA-N -1 0 312.369 2.180 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001574500729 961763040 /nfs/dbraw/zinc/76/30/40/961763040.db2.gz XGVPLWKSQAAACK-JTQLQIEISA-N -1 0 318.333 2.176 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001573997598 961852863 /nfs/dbraw/zinc/85/28/63/961852863.db2.gz XGFOHYFQLVHRHD-CQSZACIVSA-N -1 0 320.389 2.225 20 10 DECDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001603301403 972578688 /nfs/dbraw/zinc/57/86/88/972578688.db2.gz VBLSGGHTGADBRB-HNNXBMFYSA-N -1 0 321.354 2.249 20 10 DECDRM CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001591974511 976590137 /nfs/dbraw/zinc/59/01/37/976590137.db2.gz ZPLGVXYGIJRHOG-QGZVFWFLSA-N -1 0 318.373 2.321 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000738484927 978546578 /nfs/dbraw/zinc/54/65/78/978546578.db2.gz FBJJDSOZDDCGFQ-LLVKDONJSA-N -1 0 305.355 2.127 20 10 DECDRM O=C([O-])[C@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000738484928 978546607 /nfs/dbraw/zinc/54/66/07/978546607.db2.gz FBJJDSOZDDCGFQ-NSHDSACASA-N -1 0 305.355 2.127 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592883391 979760339 /nfs/dbraw/zinc/76/03/39/979760339.db2.gz RTDLIVOZOPSDDD-KGYLQXTDSA-N -1 0 321.373 2.036 20 10 DECDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(O)c1O ZINC001597025852 986433043 /nfs/dbraw/zinc/43/30/43/986433043.db2.gz PGLDWTCZVDYFCF-UHFFFAOYSA-N -1 0 317.297 2.447 20 10 DECDRM CCc1[nH]c(C(=O)N(C)c2ccc(N)cc2)c(C)c1C(=O)[O-] ZINC001597355016 987499903 /nfs/dbraw/zinc/49/99/03/987499903.db2.gz XENDFAYEERIZKE-UHFFFAOYSA-N -1 0 301.346 2.443 20 10 DECDRM CN(C)c1ccc(OCCOC2CCOCC2)cc1C(=O)[O-] ZINC001598328733 991354961 /nfs/dbraw/zinc/35/49/61/991354961.db2.gz ZWMJTWUSLWCJNC-UHFFFAOYSA-N -1 0 309.362 2.025 20 10 DECDRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc(O)c1O ZINC001599346713 998019306 /nfs/dbraw/zinc/01/93/06/998019306.db2.gz KUMLUGAQLQZLGG-UHFFFAOYSA-N -1 0 314.297 2.358 20 10 DECDRM O=C([O-])c1cnc(S[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)s1 ZINC001602536959 1069667040 /nfs/dbraw/zinc/66/70/40/1069667040.db2.gz IPRCGZJLWJYLDV-HRDYMLBCSA-N -1 0 312.416 2.381 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001607276959 1071392946 /nfs/dbraw/zinc/39/29/46/1071392946.db2.gz GWHFNXWDAWNDBT-KGYLQXTDSA-N -1 0 321.373 2.469 20 10 DECDRM C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C(=O)[O-] ZINC001607434962 1071442229 /nfs/dbraw/zinc/44/22/29/1071442229.db2.gz LEEWFGSMCWPKGF-VXNVDRBHSA-N -1 0 321.354 2.105 20 10 DECDRM Cc1cc(C(N)=O)ccc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC001461790192 1058711792 /nfs/dbraw/zinc/71/17/92/1058711792.db2.gz VJKMBLABWPSCCW-UHFFFAOYSA-N -1 0 301.302 2.320 20 10 DECDRM CN(Cc1ccccc1O)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001579262048 1067279154 /nfs/dbraw/zinc/27/91/54/1067279154.db2.gz DIPCGJWIJIRDQE-UHFFFAOYSA-N -1 0 322.781 2.319 20 10 DECDRM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccccc2[O-])c1 ZINC001561293558 1075152885 /nfs/dbraw/zinc/15/28/85/1075152885.db2.gz PALVVHDHQPATOD-SNVBAGLBSA-N -1 0 323.370 2.146 20 10 DECDRM Cc1ccc(C(=O)NCc2c(O)cccc2F)cc1C(=O)[O-] ZINC001600340324 1077183242 /nfs/dbraw/zinc/18/32/42/1077183242.db2.gz SZTOSIRLAONXIO-UHFFFAOYSA-N -1 0 303.289 2.468 20 10 DECDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C1=CC(=O)CS1 ZINC001601869164 1077466295 /nfs/dbraw/zinc/46/62/95/1077466295.db2.gz YSCVDVYZYNJNFU-ZDUSSCGKSA-N -1 0 303.339 2.278 20 10 DECDRM O=C([O-])C1=CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001608586678 1077661095 /nfs/dbraw/zinc/66/10/95/1077661095.db2.gz LJZBADNNUHMIHA-SECBINFHSA-N -1 0 319.338 2.216 20 10 DECDRM Cc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)c(O)c1O ZINC001610484756 1078027993 /nfs/dbraw/zinc/02/79/93/1078027993.db2.gz FAJURLXBBAZREN-UHFFFAOYSA-N -1 0 315.325 2.077 20 10 DECDRM CO[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1F ZINC001235057449 1084290462 /nfs/dbraw/zinc/29/04/62/1084290462.db2.gz NKFDFTSRDILVGZ-QWRGUYRKSA-N -1 0 322.149 2.463 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CCO[C@H]2C[C@H]21 ZINC001235306283 1084380164 /nfs/dbraw/zinc/38/01/64/1084380164.db2.gz SQSHSTZXTZSSDS-MNOVXSKESA-N -1 0 302.143 2.267 20 10 DECDRM COc1ccc(CN2CC[C@H](O)C(F)(F)C2)c([O-])c1Cl ZINC001236812106 1138437253 /nfs/dbraw/zinc/43/72/53/1138437253.db2.gz RMQNBGRCUKGZMI-JTQLQIEISA-N -1 0 307.724 2.256 20 10 DECDRM O=C1NC[C@]2(CCCN(Cc3cc(F)cc(Cl)c3[O-])C2)O1 ZINC001237806995 1138795273 /nfs/dbraw/zinc/79/52/73/1138795273.db2.gz XWDOEEZWIHWEGS-AWEZNQCLSA-N -1 0 314.744 2.259 20 10 DECDRM COC(=O)c1cnc(-c2ccc(C(=O)[O-])nc2)c2ccn(C)c21 ZINC001242334355 1139892760 /nfs/dbraw/zinc/89/27/60/1139892760.db2.gz UMNHMLXIBHFCRK-UHFFFAOYSA-N -1 0 311.297 2.120 20 10 DECDRM O=S(=O)(N[C@@H]1CC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429035 1142432356 /nfs/dbraw/zinc/43/23/56/1142432356.db2.gz HYXNVTHARZLOIK-SSDOTTSWSA-N -1 0 318.128 2.385 20 10 DECDRM CC(C)CN1CC(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000077474223 355206527 /nfs/dbraw/zinc/20/65/27/355206527.db2.gz FMKZCPODYKMYCL-CYBMUJFWSA-N -1 0 313.741 2.040 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(OC)c2)c1 ZINC000273299323 130104979 /nfs/dbraw/zinc/10/49/79/130104979.db2.gz AXJQZRXNKQWAHK-LLVKDONJSA-N -1 0 316.357 2.433 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000273550473 130135432 /nfs/dbraw/zinc/13/54/32/130135432.db2.gz FVWAOJHCXNRLQM-WDEREUQCSA-N -1 0 303.362 2.324 20 10 DECDRM CN(c1ccc(CNC(=O)CNC(=O)[O-])cc1)C1CCCCC1 ZINC000285503110 131174781 /nfs/dbraw/zinc/17/47/81/131174781.db2.gz APPNSPZFVSRFSC-UHFFFAOYSA-N -1 0 319.405 2.339 20 10 DECDRM C[C@@H]1c2nncn2CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000276779537 403193180 /nfs/dbraw/zinc/19/31/80/403193180.db2.gz JEXAHUGMZDWQCB-MRVPVSSYSA-N -1 0 323.740 2.122 20 10 DECDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296131228 404107647 /nfs/dbraw/zinc/10/76/47/404107647.db2.gz GAMAQPFUYCLJFG-LLVKDONJSA-N -1 0 321.308 2.074 20 10 DECDRM COc1cncc(/C=C\C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000493816339 405572405 /nfs/dbraw/zinc/57/24/05/405572405.db2.gz QMWXBTYOMFXNOZ-XHPSBEMXSA-N -1 0 324.336 2.318 20 10 DECDRM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@@H]1c1ncon1 ZINC000370623095 331557081 /nfs/dbraw/zinc/55/70/81/331557081.db2.gz VERRBJUGIUGRCA-SNVBAGLBSA-N -1 0 313.716 2.141 20 10 DECDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000268017716 525312294 /nfs/dbraw/zinc/31/22/94/525312294.db2.gz UMSBBENQNLVSMK-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccccn1 ZINC000237696139 526250222 /nfs/dbraw/zinc/25/02/22/526250222.db2.gz DSXQJHWCWYBDMH-AWEZNQCLSA-N -1 0 313.357 2.178 20 10 DECDRM c1csc(Sc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000738437643 598937846 /nfs/dbraw/zinc/93/78/46/598937846.db2.gz RXEKXNFGDGLVPM-UHFFFAOYSA-N -1 0 313.371 2.418 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000821368893 598220389 /nfs/dbraw/zinc/22/03/89/598220389.db2.gz ILNLSYBCQSMNMU-XBXARRHUSA-N -1 0 313.309 2.126 20 10 DECDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000736359666 599840486 /nfs/dbraw/zinc/84/04/86/599840486.db2.gz ABBFTGVNWSNNCG-CQSZACIVSA-N -1 0 307.394 2.003 20 10 DECDRM CC(C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000736310995 600800436 /nfs/dbraw/zinc/80/04/36/600800436.db2.gz DJPXZWPHOZVPKF-UHFFFAOYSA-N -1 0 302.714 2.297 20 10 DECDRM CC[C@H](C)[C@H](NC(=O)CN(CC)c1ccc(OC)cc1)C(=O)[O-] ZINC000828710108 600991557 /nfs/dbraw/zinc/99/15/57/600991557.db2.gz WBRUWXYFEQSKDP-LRDDRELGSA-N -1 0 322.405 2.137 20 10 DECDRM C[C@H](CC(=O)[O-])C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000827303149 602297167 /nfs/dbraw/zinc/29/71/67/602297167.db2.gz CBQUHNQJIAZSNU-LLVKDONJSA-N -1 0 324.340 2.446 20 10 DECDRM COC(=O)/C(C)=C/CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000828602463 604093332 /nfs/dbraw/zinc/09/33/32/604093332.db2.gz WLOJPTJAXQMKSK-KPKJPENVSA-N -1 0 318.373 2.326 20 10 DECDRM C[C@@H]1COCCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000399622913 604797352 /nfs/dbraw/zinc/79/73/52/604797352.db2.gz SBTQAVHYYMFPSD-VLWUPBBWSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@H](O)[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833526257 604874944 /nfs/dbraw/zinc/87/49/44/604874944.db2.gz HKZHQTKUNKRMCV-FXOGGVSJSA-N -1 0 320.345 2.290 20 10 DECDRM CC(C)(O)[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833463584 605055913 /nfs/dbraw/zinc/05/59/13/605055913.db2.gz INWIGIKDCIUXIG-IZPAUZPXSA-N -1 0 320.345 2.432 20 10 DECDRM O=C([O-])Nc1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000834267388 605546945 /nfs/dbraw/zinc/54/69/45/605546945.db2.gz VUKLKIHHKKZKOQ-UHFFFAOYSA-N -1 0 316.313 2.047 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2Cc1csnn1 ZINC000834247533 605818154 /nfs/dbraw/zinc/81/81/54/605818154.db2.gz NLDYYFILQHYVTL-UHFFFAOYSA-N -1 0 304.375 2.259 20 10 DECDRM COC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)O1 ZINC000784668008 625831461 /nfs/dbraw/zinc/83/14/61/625831461.db2.gz NNPVSQIVYHQEBV-SKDRFNHKSA-N -1 0 303.761 2.420 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000756340710 635222578 /nfs/dbraw/zinc/22/25/78/635222578.db2.gz UVPGDMQDGQQXCT-GFCCVEGCSA-N -1 0 308.315 2.277 20 10 DECDRM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(F)c3[O-])[C@@H]2C1 ZINC000894096763 636112967 /nfs/dbraw/zinc/11/29/67/636112967.db2.gz ZOQYGRIGEWIXQF-YUELXQCFSA-N -1 0 313.344 2.439 20 10 DECDRM CC(=O)N1CCc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000186829032 636571545 /nfs/dbraw/zinc/57/15/45/636571545.db2.gz KOUHGASHUCVVDB-UHFFFAOYSA-N -1 0 312.325 2.259 20 10 DECDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F ZINC000163387308 640153197 /nfs/dbraw/zinc/15/31/97/640153197.db2.gz JWUXXQQIAOKCEW-UHFFFAOYSA-N -1 0 318.289 2.034 20 10 DECDRM CN(CC(=O)N1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644821 642071446 /nfs/dbraw/zinc/07/14/46/642071446.db2.gz QRPIYWYPDSTPBU-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM O=C(C1CC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775646563 642071811 /nfs/dbraw/zinc/07/18/11/642071811.db2.gz KVFZIDAXNZAJNX-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775713882 642083439 /nfs/dbraw/zinc/08/34/39/642083439.db2.gz KQBLXUDRHNLMJG-IUCAKERBSA-N -1 0 321.801 2.192 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000780578783 642645617 /nfs/dbraw/zinc/64/56/17/642645617.db2.gz YRAOWJHCMGYLHR-KRWDZBQOSA-N -1 0 319.405 2.114 20 10 DECDRM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCS(=O)(=O)C1 ZINC000792166960 644082607 /nfs/dbraw/zinc/08/26/07/644082607.db2.gz WNUBLGDOTZYQLN-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM COC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000792178373 644085615 /nfs/dbraw/zinc/08/56/15/644085615.db2.gz DGPUVFAIUZNUET-VHSXEESVSA-N -1 0 303.761 2.420 20 10 DECDRM CO[C@@H]1CCCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911490094 645722305 /nfs/dbraw/zinc/72/23/05/645722305.db2.gz XTMCTQWGFTYVOS-DZGCQCFKSA-N -1 0 321.373 2.011 20 10 DECDRM CCC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837983 645996013 /nfs/dbraw/zinc/99/60/13/645996013.db2.gz IKQLPJNSDCSGJH-ZETCQYMHSA-N -1 0 319.188 2.230 20 10 DECDRM CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1SC)OC ZINC000817356083 647274151 /nfs/dbraw/zinc/27/41/51/647274151.db2.gz DHYQLUHPMPOFCU-SNVBAGLBSA-N -1 0 305.421 2.281 20 10 DECDRM Cc1cc(C([O-])=CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000915362415 647525113 /nfs/dbraw/zinc/52/51/13/647525113.db2.gz PPXMGSDCIZGWOB-UHFFFAOYSA-N -1 0 309.362 2.461 20 10 DECDRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1 ZINC000033409699 648034447 /nfs/dbraw/zinc/03/44/47/648034447.db2.gz DRSLCJJCFHISCX-YBEGLDIGSA-N -1 0 324.336 2.165 20 10 DECDRM CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826952901 648952250 /nfs/dbraw/zinc/95/22/50/648952250.db2.gz WPOYFKXUKAEUDJ-AWEZNQCLSA-N -1 0 303.761 2.158 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000831076948 649535665 /nfs/dbraw/zinc/53/56/65/649535665.db2.gz DCUKNSYGIZWQHV-GARJFASQSA-N -1 0 322.361 2.014 20 10 DECDRM CN(C[C@@H](O)Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000846280492 651320279 /nfs/dbraw/zinc/32/02/79/651320279.db2.gz YECMQSDSSUAOND-INIZCTEOSA-N -1 0 315.369 2.190 20 10 DECDRM CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000846708182 651347550 /nfs/dbraw/zinc/34/75/50/651347550.db2.gz XRZPTPDHUHEELT-CABCVRRESA-N -1 0 316.401 2.186 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000852942692 652481737 /nfs/dbraw/zinc/48/17/37/652481737.db2.gz LWWBHBZKKIZHFA-TVQRCGJNSA-N -1 0 309.362 2.325 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000852952215 652483893 /nfs/dbraw/zinc/48/38/93/652483893.db2.gz VAYPAPDERXOLKU-OAHLLOKOSA-N -1 0 304.390 2.260 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000854237712 652663854 /nfs/dbraw/zinc/66/38/54/652663854.db2.gz BEXLBLJQWRRVQG-ZDUSSCGKSA-N -1 0 306.362 2.035 20 10 DECDRM C[C@H](NC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929045450 693885471 /nfs/dbraw/zinc/88/54/71/693885471.db2.gz RSYOWQRQCJXBMA-WFASDCNBSA-N -1 0 319.405 2.462 20 10 DECDRM [O-]c1c(CN2CCO[C@]3(CCSC3)C2)ccc(F)c1F ZINC000864050932 686605679 /nfs/dbraw/zinc/60/56/79/686605679.db2.gz VXMJBPFTUUDRPI-CQSZACIVSA-N -1 0 301.358 2.378 20 10 DECDRM COc1ccc(CNCc2nc(CC(=O)[O-])cs2)cc1C ZINC000871881208 688885346 /nfs/dbraw/zinc/88/53/46/688885346.db2.gz MDIIDAYLIOIWRK-UHFFFAOYSA-N -1 0 306.387 2.377 20 10 DECDRM CC(=O)c1cc(=O)n(-c2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000871950447 688900408 /nfs/dbraw/zinc/90/04/08/688900408.db2.gz FFTBWUVERGWMPB-UHFFFAOYSA-N -1 0 300.236 2.309 20 10 DECDRM CC[C@H](C)N(CC)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872981047 689133282 /nfs/dbraw/zinc/13/32/82/689133282.db2.gz PLZFGYQZACDADO-ZDUSSCGKSA-N -1 0 322.405 2.233 20 10 DECDRM [O-]c1c(CN2CCN(Cc3ccccn3)CC2)ccc(F)c1F ZINC000876553573 689854113 /nfs/dbraw/zinc/85/41/13/689854113.db2.gz TYGOJJYJUHZDCY-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)c(F)c3[O-])[C@H]2C1 ZINC000876815481 689945246 /nfs/dbraw/zinc/94/52/46/689945246.db2.gz YQQWESXIXYBGQQ-KWCYVHTRSA-N -1 0 313.344 2.439 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877499757 690132718 /nfs/dbraw/zinc/13/27/18/690132718.db2.gz KUENYNLFPORNAZ-LLVKDONJSA-N -1 0 319.373 2.070 20 10 DECDRM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886801065 692195012 /nfs/dbraw/zinc/19/50/12/692195012.db2.gz HGUIMPCVHKQALH-RDDDGLTNSA-N -1 0 308.256 2.264 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC2(COC2)C1 ZINC001144298831 790849406 /nfs/dbraw/zinc/84/94/06/790849406.db2.gz KKOSPFMIQPUGDI-UHFFFAOYSA-N -1 0 302.143 2.126 20 10 DECDRM Cc1cc(C)c(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001147878328 791645226 /nfs/dbraw/zinc/64/52/26/791645226.db2.gz BGXBRZICCGVWOC-UHFFFAOYSA-N -1 0 308.341 2.430 20 10 DECDRM C[C@@]1(F)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@H]1F ZINC001147881205 791646848 /nfs/dbraw/zinc/64/68/48/791646848.db2.gz RXFZCJQYRKFOHR-CZUORRHYSA-N -1 0 321.327 2.078 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCn2c(nnc2C2CC2)C1 ZINC001139683009 794838311 /nfs/dbraw/zinc/83/83/11/794838311.db2.gz GSRFOJCDLUKZLW-UHFFFAOYSA-N -1 0 306.316 2.155 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184878961 796147219 /nfs/dbraw/zinc/14/72/19/796147219.db2.gz UULUJIQUAHFPNO-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@H](F)CC1 ZINC001139127639 796328578 /nfs/dbraw/zinc/32/85/78/796328578.db2.gz ZQEKSICPXUIITH-CYBMUJFWSA-N -1 0 319.332 2.310 20 10 DECDRM O=C(N[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1)C1CC1 ZINC001139687244 796409821 /nfs/dbraw/zinc/40/98/21/796409821.db2.gz JKCOTBCVACESAI-LLVKDONJSA-N -1 0 310.344 2.161 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccco2)c1C(N)=O ZINC001186806066 796440631 /nfs/dbraw/zinc/44/06/31/796440631.db2.gz PMVDKOCSUPDKPT-UHFFFAOYSA-N -1 0 314.388 2.112 20 10 DECDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2O)c1 ZINC001189188918 796779562 /nfs/dbraw/zinc/77/95/62/796779562.db2.gz VTIAXRLANWOGME-UHFFFAOYSA-N -1 0 307.327 2.101 20 10 DECDRM COc1nc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1F ZINC001190094636 796929686 /nfs/dbraw/zinc/92/96/86/796929686.db2.gz LHVQHMFEKCMHTH-UHFFFAOYSA-N -1 0 312.322 2.044 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192041609 797309956 /nfs/dbraw/zinc/30/99/56/797309956.db2.gz YPBWZYCPNUMCCY-UHFFFAOYSA-N -1 0 320.581 2.470 20 10 DECDRM O=C(NCc1cccc2ccnn21)c1cc(O)c([O-])c(Cl)c1 ZINC001193634182 797597541 /nfs/dbraw/zinc/59/75/41/797597541.db2.gz RRZBLTWQPPTTDY-UHFFFAOYSA-N -1 0 317.732 2.329 20 10 DECDRM O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(O)cc1O ZINC001197556132 798206400 /nfs/dbraw/zinc/20/64/00/798206400.db2.gz GKVJPEUVMQSWGA-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(O)cc1O ZINC001201728807 798790396 /nfs/dbraw/zinc/79/03/96/798790396.db2.gz MDARJGSEGAZCCP-UHFFFAOYSA-N -1 0 320.779 2.317 20 10 DECDRM C[C@@H]1OCCO[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000935994231 800821953 /nfs/dbraw/zinc/82/19/53/800821953.db2.gz WYNOFOCJVRBWNK-MADCSZMMSA-N -1 0 320.172 2.119 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CC(Oc3ccc(F)cc3)C2)c1 ZINC001231566173 801687676 /nfs/dbraw/zinc/68/76/76/801687676.db2.gz SQHKXZGELAGZEU-UHFFFAOYSA-N -1 0 317.316 2.493 20 10 DECDRM CN(C)c1ccc(CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC001593709148 954173078 /nfs/dbraw/zinc/17/30/78/954173078.db2.gz WQFMDLNVPBUEDI-HZPDHXFCSA-N -1 0 316.401 2.354 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594312142 958044202 /nfs/dbraw/zinc/04/42/02/958044202.db2.gz VNXMJOWFHQLHOZ-VFVRVIDISA-N -1 0 318.417 2.219 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001574594280 962140305 /nfs/dbraw/zinc/14/03/05/962140305.db2.gz QHZAGTGVJDYQIR-NKWVEPMBSA-N -1 0 309.709 2.316 20 10 DECDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001603301404 972578265 /nfs/dbraw/zinc/57/82/65/972578265.db2.gz VBLSGGHTGADBRB-OAHLLOKOSA-N -1 0 321.354 2.249 20 10 DECDRM COc1cccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)c1O ZINC001604863435 974108305 /nfs/dbraw/zinc/10/83/05/974108305.db2.gz ZQMAIFKWMJFAGY-UHFFFAOYSA-N -1 0 321.373 2.442 20 10 DECDRM O=C([O-])[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715763038 977781311 /nfs/dbraw/zinc/78/13/11/977781311.db2.gz NQLZGUMLKDQCMT-SSDOTTSWSA-N -1 0 318.142 2.200 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592883392 979760437 /nfs/dbraw/zinc/76/04/37/979760437.db2.gz RTDLIVOZOPSDDD-RAIGVLPGSA-N -1 0 321.373 2.036 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001594741483 981611531 /nfs/dbraw/zinc/61/15/31/981611531.db2.gz PSKJPSSULCRQKB-HNNXBMFYSA-N -1 0 304.390 2.354 20 10 DECDRM CC[C@@H](C)N(CCO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594983786 982788638 /nfs/dbraw/zinc/78/86/38/982788638.db2.gz NYSHTWAMZAWZEG-JPVGGKMYSA-N -1 0 308.334 2.290 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595891506 982926227 /nfs/dbraw/zinc/92/62/27/982926227.db2.gz VMKKOGCAEGDJMH-CQSZACIVSA-N -1 0 318.373 2.487 20 10 DECDRM CN(C)c1ccc(OCCOCC(F)(F)F)cc1C(=O)[O-] ZINC001598328035 991347207 /nfs/dbraw/zinc/34/72/07/991347207.db2.gz BVSGHJXRYYINSU-UHFFFAOYSA-N -1 0 307.268 2.409 20 10 DECDRM COc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1O ZINC001599675774 994894536 /nfs/dbraw/zinc/89/45/36/994894536.db2.gz XIOFYZYDKOGWKC-UHFFFAOYSA-N -1 0 319.273 2.014 20 10 DECDRM COc1cc(C)cc(C[N@H+](C)[C@H](COC2CCC2)C(=O)[O-])c1O ZINC001599391832 997051700 /nfs/dbraw/zinc/05/17/00/997051700.db2.gz IHUQOQVRCAEKSR-CQSZACIVSA-N -1 0 323.389 2.163 20 10 DECDRM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001599149331 998267231 /nfs/dbraw/zinc/26/72/31/998267231.db2.gz DUMNYZUVCBKZQY-CYBMUJFWSA-N -1 0 305.733 2.154 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001604811722 1070502945 /nfs/dbraw/zinc/50/29/45/1070502945.db2.gz KBIKICTURAJZOT-OXIYKYQWSA-N -1 0 320.345 2.147 20 10 DECDRM NC(=O)[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001474419645 1060865478 /nfs/dbraw/zinc/86/54/78/1060865478.db2.gz ONHMSQRJFYUJIX-ZDUSSCGKSA-N -1 0 310.275 2.126 20 10 DECDRM O=C([O-])[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1F ZINC001610878692 1078090831 /nfs/dbraw/zinc/09/08/31/1078090831.db2.gz WMYVGOIGRGBIRB-ZDUSSCGKSA-N -1 0 306.245 2.220 20 10 DECDRM Cn1ncc2c1nc(NCc1cc(Cl)ccc1O)[nH]c2=O ZINC001612580801 1078112132 /nfs/dbraw/zinc/11/21/32/1078112132.db2.gz UPZGFNRJTGHKDZ-UHFFFAOYSA-N -1 0 305.725 2.040 20 10 DECDRM O=C(NCc1cc(O)ccc1O)c1ccc2[n-]c(=S)oc2c1 ZINC001643882383 1078819271 /nfs/dbraw/zinc/81/92/71/1078819271.db2.gz UQUOBMOUWXMKKB-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM O=C([O-])C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC001574813937 1069269580 /nfs/dbraw/zinc/26/95/80/1069269580.db2.gz UWNSPKZIZKSCOQ-UHFFFAOYSA-N -1 0 307.327 2.050 20 10 DECDRM O=C(N=[S@]1(=O)CCc2ccccc21)c1cccc(O)c1[O-] ZINC001558469487 1075095546 /nfs/dbraw/zinc/09/55/46/1075095546.db2.gz NQGLBYWVSPYOCY-NRFANRHFSA-N -1 0 303.339 2.321 20 10 DECDRM Cc1cc(O)c(CNc2nnc(CCC(=O)[O-])s2)cc1C ZINC001600285381 1077176291 /nfs/dbraw/zinc/17/62/91/1077176291.db2.gz AUWVSBSJKGLGKH-UHFFFAOYSA-N -1 0 307.375 2.490 20 10 DECDRM Cc1ccc(C(=O)NCc2ccccc2C(=O)[O-])c(O)c1O ZINC001600341723 1077183699 /nfs/dbraw/zinc/18/36/99/1077183699.db2.gz XWWLVSLGXMHGBA-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1ncccc1/C=C/C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001600751376 1077262551 /nfs/dbraw/zinc/26/25/51/1077262551.db2.gz CBZGICPDIIMYFY-ROJDOSBLSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001601287588 1077372266 /nfs/dbraw/zinc/37/22/66/1077372266.db2.gz SVHWVLURMYQBFN-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])c1n[nH]c2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC001601611221 1077417573 /nfs/dbraw/zinc/41/75/73/1077417573.db2.gz YNVMABUAWXSFOC-UHFFFAOYSA-N -1 0 303.299 2.281 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2C3CCC2(CO)CC3)c([N+](=O)[O-])c1 ZINC001601881325 1077469346 /nfs/dbraw/zinc/46/93/46/1077469346.db2.gz QPARKGYPISXXFI-DUXPYHPUSA-N -1 0 318.329 2.186 20 10 DECDRM O=C([O-])CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001601916451 1077475718 /nfs/dbraw/zinc/47/57/18/1077475718.db2.gz LSCDAKGOZBXBKF-UHFFFAOYSA-N -1 0 321.373 2.182 20 10 DECDRM O=C([O-])[C@@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC001608647472 1077669698 /nfs/dbraw/zinc/66/96/98/1077669698.db2.gz UGNCRFAWOIAPJL-INIZCTEOSA-N -1 0 313.353 2.345 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001608660904 1077672544 /nfs/dbraw/zinc/67/25/44/1077672544.db2.gz FWNRKLPSOQGFFQ-FXMSTWTQSA-N -1 0 324.308 2.257 20 10 DECDRM Oc1cc(F)c(F)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC001665168096 1080996309 /nfs/dbraw/zinc/99/63/09/1080996309.db2.gz ROXHFQXHWZYNBQ-UHFFFAOYSA-N -1 0 320.343 2.230 20 10 DECDRM CC1(CO)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235298362 1084376241 /nfs/dbraw/zinc/37/62/41/1084376241.db2.gz RQZIONIYUCKPOQ-UHFFFAOYSA-N -1 0 304.159 2.108 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC(F)(F)C1 ZINC001251387565 1092026473 /nfs/dbraw/zinc/02/64/73/1092026473.db2.gz AAQHJSJCNGGYRO-UHFFFAOYSA-N -1 0 318.128 2.339 20 10 DECDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001258421262 1144005485 /nfs/dbraw/zinc/00/54/85/1144005485.db2.gz JZSOHTATOHVRSM-UHFFFAOYSA-N -1 0 319.745 2.027 20 10 DECDRM CCCCN1CC(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000077475203 355207581 /nfs/dbraw/zinc/20/75/81/355207581.db2.gz DGLYAVYXAOHROW-ZDUSSCGKSA-N -1 0 313.741 2.184 20 10 DECDRM C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546772 130134981 /nfs/dbraw/zinc/13/49/81/130134981.db2.gz ZOAPDUGXTKRXKN-CPCISQLKSA-N -1 0 308.256 2.264 20 10 DECDRM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271163527 403271893 /nfs/dbraw/zinc/27/18/93/403271893.db2.gz GNBAWKDVCVBQRW-NSHDSACASA-N -1 0 320.172 2.073 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@]12CCOC2 ZINC000294555727 403722847 /nfs/dbraw/zinc/72/28/47/403722847.db2.gz FNXUSTSOHBYMGD-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM Cc1nc(CN2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000180153563 526866132 /nfs/dbraw/zinc/86/61/32/526866132.db2.gz SVQVCMUVNJIZHX-UHFFFAOYSA-N -1 0 322.796 2.055 20 10 DECDRM Cc1nc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1C ZINC000187060587 527013170 /nfs/dbraw/zinc/01/31/70/527013170.db2.gz HJHSLLXPGCRXDT-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM O=C([O-])c1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000821442281 598183936 /nfs/dbraw/zinc/18/39/36/598183936.db2.gz QOZHZFYSIXLQSD-UHFFFAOYSA-N -1 0 300.314 2.090 20 10 DECDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c(O)c1O ZINC000738546301 599999297 /nfs/dbraw/zinc/99/92/97/599999297.db2.gz RYPVHBIYXMPGSY-AWEZNQCLSA-N -1 0 302.282 2.389 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NCCCCCC(=O)[O-])c1 ZINC000738040580 600125352 /nfs/dbraw/zinc/12/53/52/600125352.db2.gz ALXWKRXIAQGLMW-LLVKDONJSA-N -1 0 324.377 2.406 20 10 DECDRM C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000387354324 600126340 /nfs/dbraw/zinc/12/63/40/600126340.db2.gz YWZDCCJGECEHRG-QZPNVGJNSA-N -1 0 306.318 2.308 20 10 DECDRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cn1 ZINC000739025163 601028757 /nfs/dbraw/zinc/02/87/57/601028757.db2.gz BNXJUCHZBJUJIG-AATRIKPKSA-N -1 0 317.320 2.080 20 10 DECDRM CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000828964928 601676180 /nfs/dbraw/zinc/67/61/80/601676180.db2.gz LCNBKBZHKZDBOE-ZDUSSCGKSA-N -1 0 301.346 2.082 20 10 DECDRM O=C([O-])NC[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000832409032 603539250 /nfs/dbraw/zinc/53/92/50/603539250.db2.gz XHNNWDALNZWZBA-AWEZNQCLSA-N -1 0 314.341 2.060 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000829484153 603569946 /nfs/dbraw/zinc/56/99/46/603569946.db2.gz PUCFIBOCYXNKAF-HBNTYKKESA-N -1 0 322.361 2.014 20 10 DECDRM CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000829473362 604473501 /nfs/dbraw/zinc/47/35/01/604473501.db2.gz XVONVYOVNXMGJE-UHFFFAOYSA-N -1 0 302.714 2.250 20 10 DECDRM C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000894595149 637126529 /nfs/dbraw/zinc/12/65/29/637126529.db2.gz AINVTNSGFFZRRC-NSHDSACASA-N -1 0 313.344 2.440 20 10 DECDRM CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894904772 637319086 /nfs/dbraw/zinc/31/90/86/637319086.db2.gz MJFJVDQKGOQUSD-LBPRGKRZSA-N -1 0 319.373 2.070 20 10 DECDRM Cc1cc(O)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1C ZINC000742346488 638061168 /nfs/dbraw/zinc/06/11/68/638061168.db2.gz LOJNBWOPZDCETP-WZUFQYTHSA-N -1 0 323.395 2.295 20 10 DECDRM O=C([O-])CCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000743411899 638144448 /nfs/dbraw/zinc/14/44/48/638144448.db2.gz FJLIBNVVFZKHTP-CQSZACIVSA-N -1 0 321.373 2.155 20 10 DECDRM O=C([O-])CCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000743411898 638144541 /nfs/dbraw/zinc/14/45/41/638144541.db2.gz FJLIBNVVFZKHTP-AWEZNQCLSA-N -1 0 321.373 2.155 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[S@](=O)C1 ZINC000763647546 640558360 /nfs/dbraw/zinc/55/83/60/640558360.db2.gz FKLBWZMAWWZPHW-HOGDKLEQSA-N -1 0 305.802 2.385 20 10 DECDRM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000775642544 642071922 /nfs/dbraw/zinc/07/19/22/642071922.db2.gz LUAMPNPPUGPTTF-NSHDSACASA-N -1 0 321.801 2.194 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(N)=O)C1 ZINC000779203536 642472165 /nfs/dbraw/zinc/47/21/65/642472165.db2.gz DHPRADOKFBSPNK-PRHODGIISA-N -1 0 300.761 2.271 20 10 DECDRM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000779542477 642510170 /nfs/dbraw/zinc/51/01/70/642510170.db2.gz QIHIOWOOFDNYSO-QHHAFSJGSA-N -1 0 316.269 2.364 20 10 DECDRM CCC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780349258 642615243 /nfs/dbraw/zinc/61/52/43/642615243.db2.gz FXOIYBLWBXHTNC-INIZCTEOSA-N -1 0 307.394 2.195 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ccnn2CC2CCC2)ccc1O ZINC000901907014 642829878 /nfs/dbraw/zinc/82/98/78/642829878.db2.gz BAWIFSIGOHKNFX-UHFFFAOYSA-N -1 0 321.402 2.498 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC(F)(F)C[C@@H]1CO ZINC000783703222 643039727 /nfs/dbraw/zinc/03/97/27/643039727.db2.gz VKTYLBQIICVDSJ-SECBINFHSA-N -1 0 322.149 2.357 20 10 DECDRM C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000783733986 643044872 /nfs/dbraw/zinc/04/48/72/643044872.db2.gz PRFVKDSUWNJKIX-MRVPVSSYSA-N -1 0 303.189 2.362 20 10 DECDRM C/C=C\C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000797715792 644911692 /nfs/dbraw/zinc/91/16/92/644911692.db2.gz UJXVXSGGRZSVFN-ZFDPJTLLSA-N -1 0 323.368 2.110 20 10 DECDRM C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)N1CCCC1 ZINC000798502302 645027361 /nfs/dbraw/zinc/02/73/61/645027361.db2.gz XRKQHCOEIAFMHS-VIFPVBQESA-N -1 0 300.761 2.285 20 10 DECDRM Cc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)c(C)n1-c1ccccn1 ZINC000910058369 645306897 /nfs/dbraw/zinc/30/68/97/645306897.db2.gz SLMYXHTZEZJUQQ-UHFFFAOYSA-N -1 0 313.357 2.036 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000910383743 645435520 /nfs/dbraw/zinc/43/55/20/645435520.db2.gz LAARKELJPMXFFQ-BQUOTFMISA-N -1 0 318.329 2.308 20 10 DECDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000911301821 645673664 /nfs/dbraw/zinc/67/36/64/645673664.db2.gz RDRHVCGVBUOAEU-GFCCVEGCSA-N -1 0 304.390 2.186 20 10 DECDRM C[C@H](Cc1ccco1)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911494648 645723197 /nfs/dbraw/zinc/72/31/97/645723197.db2.gz VRRNDCDJXCYFLD-GFCCVEGCSA-N -1 0 317.341 2.277 20 10 DECDRM Cc1ccc(CS(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809222617 646206953 /nfs/dbraw/zinc/20/69/53/646206953.db2.gz XWRUOOWHPBNQBX-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM O=C(C1CC1)[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000811502240 646536844 /nfs/dbraw/zinc/53/68/44/646536844.db2.gz NQUQSFGWCBKQTF-CYBMUJFWSA-N -1 0 313.756 2.365 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)S1(=O)=O ZINC000811518941 646538596 /nfs/dbraw/zinc/53/85/96/646538596.db2.gz SMZNAQBPKWJRHQ-RKDXNWHRSA-N -1 0 321.801 2.192 20 10 DECDRM CC(C)n1ccc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000919688872 648173415 /nfs/dbraw/zinc/17/34/15/648173415.db2.gz ZMJSXESZJPVRHG-UHFFFAOYSA-N -1 0 306.341 2.308 20 10 DECDRM Cn1nccc1[C@@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000846116596 651308957 /nfs/dbraw/zinc/30/89/57/651308957.db2.gz UYPYBBLDDQUZKD-AWEZNQCLSA-N -1 0 307.781 2.353 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC000846702007 651347133 /nfs/dbraw/zinc/34/71/33/651347133.db2.gz KTXJLZKXEUGVKS-GTNSWQLSSA-N -1 0 319.357 2.389 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000852942694 652481655 /nfs/dbraw/zinc/48/16/55/652481655.db2.gz LWWBHBZKKIZHFA-ZANVPECISA-N -1 0 309.362 2.325 20 10 DECDRM C[C@@H](NC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929046516 693886208 /nfs/dbraw/zinc/88/62/08/693886208.db2.gz WRZWBOAHVNQTHH-ABAIWWIYSA-N -1 0 319.405 2.366 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000861942122 686209868 /nfs/dbraw/zinc/20/98/68/686209868.db2.gz KUFYHJVQOYLUSV-UHFFFAOYSA-N -1 0 304.371 2.442 20 10 DECDRM COc1cc(C(N)=O)ccc1NCc1ccc(F)c(F)c1[O-] ZINC000864014448 686603450 /nfs/dbraw/zinc/60/34/50/686603450.db2.gz RNPPLIPHCRNVAH-UHFFFAOYSA-N -1 0 308.284 2.390 20 10 DECDRM CCC[C@@H](C)N(C)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872942447 689125493 /nfs/dbraw/zinc/12/54/93/689125493.db2.gz FGPRUWXGWCEQHG-CYBMUJFWSA-N -1 0 322.405 2.233 20 10 DECDRM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000874042879 689344917 /nfs/dbraw/zinc/34/49/17/689344917.db2.gz LRZLLTYCVJWVNR-CQSZACIVSA-N -1 0 317.744 2.108 20 10 DECDRM CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)[O-] ZINC000874405565 689403854 /nfs/dbraw/zinc/40/38/54/689403854.db2.gz QUOXAQPZMIPJCL-RYUDHWBXSA-N -1 0 308.378 2.499 20 10 DECDRM CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)c(F)c3[O-])[C@@H]2C1 ZINC000876815480 689945296 /nfs/dbraw/zinc/94/52/96/689945296.db2.gz YQQWESXIXYBGQQ-BNOWGMLFSA-N -1 0 313.344 2.439 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1ccccc1C(=O)[O-] ZINC001210967576 776976520 /nfs/dbraw/zinc/97/65/20/776976520.db2.gz KLINYVXXRFILFV-UHFFFAOYSA-N -1 0 306.343 2.065 20 10 DECDRM COc1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(C)n1 ZINC001147879006 791645600 /nfs/dbraw/zinc/64/56/00/791645600.db2.gz YQDWZVVNGBZJSJ-UHFFFAOYSA-N -1 0 324.340 2.130 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001180409857 795300247 /nfs/dbraw/zinc/30/02/47/795300247.db2.gz HAZYMMSPSLKTJW-UHFFFAOYSA-N -1 0 319.704 2.217 20 10 DECDRM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001119550390 795321905 /nfs/dbraw/zinc/32/19/05/795321905.db2.gz SXOSRHXQHHOUCR-KWQFWETISA-N -1 0 317.744 2.297 20 10 DECDRM CC(C)CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C)C1=O ZINC001181101453 795418879 /nfs/dbraw/zinc/41/88/79/795418879.db2.gz CBGKJUTWFKADKC-LLVKDONJSA-N -1 0 312.360 2.359 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)C[C@H]1C ZINC001139126568 796327631 /nfs/dbraw/zinc/32/76/31/796327631.db2.gz KWLJCBVHQPVKGG-LLVKDONJSA-N -1 0 301.342 2.360 20 10 DECDRM COC[C@@H]1Cn2ccnc2CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140580800 796541040 /nfs/dbraw/zinc/54/10/40/796541040.db2.gz GJDNRPOAKMUCJH-NSHDSACASA-N -1 0 323.343 2.145 20 10 DECDRM [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001140584288 796541825 /nfs/dbraw/zinc/54/18/25/796541825.db2.gz LSEXMIDMPROXLE-DTORHVGOSA-N -1 0 305.271 2.384 20 10 DECDRM C[C@](CO)(NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ccccc1 ZINC001193633876 797597671 /nfs/dbraw/zinc/59/76/71/797597671.db2.gz JRLHJUOFAQADHF-MRXNPFEDSA-N -1 0 321.760 2.389 20 10 DECDRM COc1ncccc1S(=O)(=O)[N-]c1cc(C)c(O)cc1C ZINC001194705174 797759918 /nfs/dbraw/zinc/75/99/18/797759918.db2.gz CESCMAYAJNPXJQ-UHFFFAOYSA-N -1 0 308.359 2.213 20 10 DECDRM O=C([O-])c1ccc(CN2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001231452380 801669280 /nfs/dbraw/zinc/66/92/80/801669280.db2.gz NUJQNZQXWNGAAA-UHFFFAOYSA-N -1 0 319.748 2.092 20 10 DECDRM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cccc(Cl)c1[O-] ZINC001231912691 801750117 /nfs/dbraw/zinc/75/01/17/801750117.db2.gz SIVSXBIWMRWUIE-JTQLQIEISA-N -1 0 305.708 2.428 20 10 DECDRM COc1cc(O)c(CN2CC3(C2)CCN(C(C)=O)C3)cc1Cl ZINC001232264934 801833450 /nfs/dbraw/zinc/83/34/50/801833450.db2.gz OPTCMPHSYAYVSW-UHFFFAOYSA-N -1 0 324.808 2.108 20 10 DECDRM O=C1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1F ZINC001233031535 802008297 /nfs/dbraw/zinc/00/82/97/802008297.db2.gz FZHRJYQXPNQLKP-JTQLQIEISA-N -1 0 320.133 2.407 20 10 DECDRM O=C([O-])c1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001595243480 949490700 /nfs/dbraw/zinc/49/07/00/949490700.db2.gz FOPOOKJFIWHKKZ-UHFFFAOYSA-N -1 0 312.325 2.316 20 10 DECDRM C[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1O ZINC001574261368 960569532 /nfs/dbraw/zinc/56/95/32/960569532.db2.gz QBWPPZWWUIHWLU-SECBINFHSA-N -1 0 301.302 2.368 20 10 DECDRM O=C([O-])[C@@H](CC1CCOCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001332475530 961585759 /nfs/dbraw/zinc/58/57/59/961585759.db2.gz CWJDFTZKFNSSHK-CYBMUJFWSA-N -1 0 315.316 2.030 20 10 DECDRM CN1CCCc2cc(CNC(=O)c3ccc(C(=O)[O-])o3)ccc21 ZINC001339604058 962057102 /nfs/dbraw/zinc/05/71/02/962057102.db2.gz WVWPQBALPYDJDF-UHFFFAOYSA-N -1 0 314.341 2.290 20 10 DECDRM CC(C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001588958156 962606988 /nfs/dbraw/zinc/60/69/88/962606988.db2.gz ZOZLRYDGHCDXEV-LBPRGKRZSA-N -1 0 309.343 2.152 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001604821229 974061458 /nfs/dbraw/zinc/06/14/58/974061458.db2.gz SAJJTGCPTXGPQB-HYXAFXHYSA-N -1 0 317.297 2.022 20 10 DECDRM CC(C)(O)[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590893787 990833398 /nfs/dbraw/zinc/83/33/98/990833398.db2.gz PUDSHYWCMFIYCP-FUEXJSSKSA-N -1 0 320.345 2.290 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001598518991 992654910 /nfs/dbraw/zinc/65/49/10/992654910.db2.gz BRWPMRYFRAIDGN-UHFFFAOYSA-N -1 0 301.346 2.051 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001598519566 992663045 /nfs/dbraw/zinc/66/30/45/992663045.db2.gz YKHYOMTXQLRKDI-UHFFFAOYSA-N -1 0 321.421 2.395 20 10 DECDRM O=C([O-])c1nccnc1NCc1cccc(Br)c1O ZINC001602579672 1069682731 /nfs/dbraw/zinc/68/27/31/1069682731.db2.gz IDVVWXJCIVFPBW-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM COCc1nocc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001525322446 1070120404 /nfs/dbraw/zinc/12/04/04/1070120404.db2.gz PDQCIXJIQCGWJQ-UHFFFAOYSA-N -1 0 308.681 2.263 20 10 DECDRM C[C@@H]1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001604797284 1070497161 /nfs/dbraw/zinc/49/71/61/1070497161.db2.gz IRSMDKGTOXEMCI-SNVBAGLBSA-N -1 0 306.337 2.236 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C(=O)[O-])n2)c1 ZINC001607276909 1071393042 /nfs/dbraw/zinc/39/30/42/1071393042.db2.gz DBLPTKDQQLQYSW-SSDOTTSWSA-N -1 0 322.342 2.047 20 10 DECDRM COc1ccc(N(C)Cc2ncc(C(=O)[O-])s2)cc1OC ZINC001607268551 1071389326 /nfs/dbraw/zinc/38/93/26/1071389326.db2.gz SBAATDPIOXZWCD-UHFFFAOYSA-N -1 0 308.359 2.495 20 10 DECDRM O=C([O-])c1cncc(C(=O)NCCCSc2nccs2)c1 ZINC001610861681 1078087907 /nfs/dbraw/zinc/08/79/07/1078087907.db2.gz CAYHCFWQAJMEHO-UHFFFAOYSA-N -1 0 323.399 2.149 20 10 DECDRM O=C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235057676 1079006188 /nfs/dbraw/zinc/00/61/88/1079006188.db2.gz QLVSYKBEDNSJJN-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM Cc1c(NCc2c(O)ccc(Cl)c2F)cnn1CC(=O)[O-] ZINC001600053315 1077130210 /nfs/dbraw/zinc/13/02/10/1077130210.db2.gz ZPWYZEMVBBWHMZ-UHFFFAOYSA-N -1 0 313.716 2.386 20 10 DECDRM Cn1c2ccc(F)cc2c(CNCc2cocn2)c1C(=O)[O-] ZINC001600902550 1077299044 /nfs/dbraw/zinc/29/90/44/1077299044.db2.gz WGVXLHYYRCYAEU-UHFFFAOYSA-N -1 0 303.293 2.293 20 10 DECDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601643283 1077424544 /nfs/dbraw/zinc/42/45/44/1077424544.db2.gz VEZZOCVYAGBLHT-TVQRCGJNSA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601643284 1077424688 /nfs/dbraw/zinc/42/46/88/1077424688.db2.gz VEZZOCVYAGBLHT-ZANVPECISA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001601809399 1077456711 /nfs/dbraw/zinc/45/67/11/1077456711.db2.gz RIOIIAAHADKEMB-ONGXEEELSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001608660918 1077672110 /nfs/dbraw/zinc/67/21/10/1077672110.db2.gz GMOJPZVDFQFZFA-TXTHVTMNSA-N -1 0 304.302 2.062 20 10 DECDRM CN1C(=O)Cc2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc21 ZINC001654543059 1079970595 /nfs/dbraw/zinc/97/05/95/1079970595.db2.gz NHLDUQJKSUCKTH-UHFFFAOYSA-N -1 0 316.288 2.008 20 10 DECDRM CC(C)NC(=O)N1CCC12CN(Cc1cccc(Cl)c1[O-])C2 ZINC001276380454 1083746723 /nfs/dbraw/zinc/74/67/23/1083746723.db2.gz VCTVPEYSWNWYAB-UHFFFAOYSA-N -1 0 323.824 2.424 20 10 DECDRM COC(=O)[C@H](C)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC001235069004 1084296949 /nfs/dbraw/zinc/29/69/49/1084296949.db2.gz ORZVDQGHZHHIMK-ZETCQYMHSA-N -1 0 320.158 2.287 20 10 DECDRM CC(C)c1cc(=O)n([C@@](C)(Cc2ccc(O)c(O)c2)C(=O)[O-])[n-]1 ZINC001245917186 1140831566 /nfs/dbraw/zinc/83/15/66/1140831566.db2.gz GVKPMCORLKQRJW-INIZCTEOSA-N -1 0 320.345 2.166 20 10 DECDRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260440766 1144187104 /nfs/dbraw/zinc/18/71/04/1144187104.db2.gz KUONPIRLWGWJLZ-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM COC(=O)c1csc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001306725862 1147388520 /nfs/dbraw/zinc/38/85/20/1147388520.db2.gz YULWYKVNVJXAGC-UHFFFAOYSA-N -1 0 311.290 2.337 20 10 DECDRM CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951568 131211808 /nfs/dbraw/zinc/21/18/08/131211808.db2.gz GEZXURYTQKLQFB-GWCFXTLKSA-N -1 0 303.399 2.395 20 10 DECDRM C[C@H](NCc1ncn(C)n1)c1ccc(Br)cc1O ZINC000186214688 402411491 /nfs/dbraw/zinc/41/14/91/402411491.db2.gz XLTXQUBYQCHBFQ-QMMMGPOBSA-N -1 0 311.183 2.134 20 10 DECDRM C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CO ZINC000191176625 402648062 /nfs/dbraw/zinc/64/80/62/402648062.db2.gz KTLHGPSEWRZUAF-PRHODGIISA-N -1 0 300.742 2.157 20 10 DECDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000295106885 403762292 /nfs/dbraw/zinc/76/22/92/403762292.db2.gz XVZYLLPINJHCQQ-UHFFFAOYSA-N -1 0 321.308 2.106 20 10 DECDRM Cc1nc([C@H]2COCCN2Cc2cccc(Cl)c2[O-])no1 ZINC000374822604 534614891 /nfs/dbraw/zinc/61/48/91/534614891.db2.gz SRFFUWQVSZBDMW-GFCCVEGCSA-N -1 0 309.753 2.311 20 10 DECDRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000180351162 525692905 /nfs/dbraw/zinc/69/29/05/525692905.db2.gz VZFAIWBQNCQUIV-ZJUUUORDSA-N -1 0 303.811 2.053 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000738499584 597230870 /nfs/dbraw/zinc/23/08/70/597230870.db2.gz UEBJUNYZOIGOND-UHFFFAOYSA-N -1 0 300.314 2.090 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000739624905 600006220 /nfs/dbraw/zinc/00/62/20/600006220.db2.gz MYIBNUVQVQUIPE-RQOWECAXSA-N -1 0 320.345 2.291 20 10 DECDRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737396174 600143067 /nfs/dbraw/zinc/14/30/67/600143067.db2.gz AOZJMJQHDZJLLO-UHFFFAOYSA-N -1 0 314.341 2.161 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738230587 600191015 /nfs/dbraw/zinc/19/10/15/600191015.db2.gz NCIOQQHIYWBLSO-UHFFFAOYSA-N -1 0 319.405 2.067 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCCCSc2nccs2)cn1 ZINC000739422778 600418869 /nfs/dbraw/zinc/41/88/69/600418869.db2.gz FLVMSSHWFVKULO-UHFFFAOYSA-N -1 0 323.399 2.149 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000737377028 600662749 /nfs/dbraw/zinc/66/27/49/600662749.db2.gz IQWLTKMFVOKJQO-OLZOCXBDSA-N -1 0 322.380 2.399 20 10 DECDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C1=CC(=O)CS1 ZINC000830001332 600723086 /nfs/dbraw/zinc/72/30/86/600723086.db2.gz XJUHGMUWVVNMNY-JTQLQIEISA-N -1 0 315.391 2.043 20 10 DECDRM CCN(CCC(=O)[O-])c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000829704631 602237931 /nfs/dbraw/zinc/23/79/31/602237931.db2.gz DFZPDNCVHHCYER-ALCCZGGFSA-N -1 0 322.317 2.082 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C[C@@H](C)NC(=O)[O-])cc1 ZINC000827052823 603358071 /nfs/dbraw/zinc/35/80/71/603358071.db2.gz YSZKBJRTSUOYEJ-GFCCVEGCSA-N -1 0 307.394 2.195 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000829484859 604222187 /nfs/dbraw/zinc/22/21/87/604222187.db2.gz WMRDWVVOLSAYLV-JTQLQIEISA-N -1 0 322.361 2.158 20 10 DECDRM CON1CCC(CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761394 623200321 /nfs/dbraw/zinc/20/03/21/623200321.db2.gz QGCONAHCIRYFCX-UHFFFAOYSA-N -1 0 312.797 2.325 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cncc(F)c1 ZINC000085204641 634201249 /nfs/dbraw/zinc/20/12/49/634201249.db2.gz MKXJLOKUCJDOCD-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F ZINC000314649142 634997752 /nfs/dbraw/zinc/99/77/52/634997752.db2.gz WZJSZUBPGKTFAR-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM CC1(C)CC(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000895400568 638004502 /nfs/dbraw/zinc/00/45/02/638004502.db2.gz SBRLUXRPKHUOMZ-UHFFFAOYSA-N -1 0 300.761 2.285 20 10 DECDRM O=C([O-])c1cc(/C=C\c2ccc(N3CCOCC3)cc2)ncn1 ZINC000761207363 640284998 /nfs/dbraw/zinc/28/49/98/640284998.db2.gz UNXLKXQMUKRHKT-RJRFIUFISA-N -1 0 311.341 2.182 20 10 DECDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000775243025 642019739 /nfs/dbraw/zinc/01/97/39/642019739.db2.gz HCTHDFFKEDNDRC-UHFFFAOYSA-N -1 0 309.343 2.210 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cnn(CC2CCC2)c1 ZINC000899352161 642040197 /nfs/dbraw/zinc/04/01/97/642040197.db2.gz ABNDAVWNWIGYGJ-CXUHLZMHSA-N -1 0 322.368 2.145 20 10 DECDRM O=C1N=NC2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN12 ZINC000776519625 642180716 /nfs/dbraw/zinc/18/07/16/642180716.db2.gz ANKMEWLIXZTJQG-UHFFFAOYSA-N -1 0 315.160 2.012 20 10 DECDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000779459627 642502719 /nfs/dbraw/zinc/50/27/19/642502719.db2.gz DTZLBNUXUUFURB-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM C[S@@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789980223 643798522 /nfs/dbraw/zinc/79/85/22/643798522.db2.gz WRFGCOOKMHDDLY-JOCHJYFZSA-N -1 0 323.345 2.368 20 10 DECDRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1F ZINC000799892409 645229969 /nfs/dbraw/zinc/22/99/69/645229969.db2.gz HORRLQPRZLREFN-RAXLEYEMSA-N -1 0 312.300 2.296 20 10 DECDRM COc1ccc(O)c(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000911386435 645688665 /nfs/dbraw/zinc/68/86/65/645688665.db2.gz CPLDKMJIKNYBJZ-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000911486995 645721098 /nfs/dbraw/zinc/72/10/98/645721098.db2.gz RPTXIPUBPZLMBU-VIKVFOODSA-N -1 0 303.358 2.242 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)CCCc1nnn[n-]1 ZINC000822756199 648280491 /nfs/dbraw/zinc/28/04/91/648280491.db2.gz CZBAKBGKHXNCIK-UHFFFAOYSA-N -1 0 317.393 2.057 20 10 DECDRM Cc1cc(O)c(CN2CCN(c3cnn(C)c3)CC2)cc1Cl ZINC000824808595 648655809 /nfs/dbraw/zinc/65/58/09/648655809.db2.gz LPEFNDNJDPZCRI-UHFFFAOYSA-N -1 0 320.824 2.410 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000844214683 651094303 /nfs/dbraw/zinc/09/43/03/651094303.db2.gz UPIWNBBEEGZUPP-DUXPYHPUSA-N -1 0 318.329 2.309 20 10 DECDRM O=C([O-])C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000844935955 651185282 /nfs/dbraw/zinc/18/52/82/651185282.db2.gz LLHBSCCDWAWEPC-UHFFFAOYSA-N -1 0 314.725 2.250 20 10 DECDRM CN(Cc1noc(C2CC2)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000846280199 651320229 /nfs/dbraw/zinc/32/02/29/651320229.db2.gz UXLIUIBULVXWEG-UHFFFAOYSA-N -1 0 303.318 2.047 20 10 DECDRM Cc1cc(C)n(CCN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000846280216 651320230 /nfs/dbraw/zinc/32/02/30/651320230.db2.gz VGKSNTCHWVRWDQ-UHFFFAOYSA-N -1 0 303.362 2.100 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC000846702006 651347121 /nfs/dbraw/zinc/34/71/21/651347121.db2.gz KTXJLZKXEUGVKS-DIFFPNOSSA-N -1 0 319.357 2.389 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000848579751 651474695 /nfs/dbraw/zinc/47/46/95/651474695.db2.gz OZWMMLZGZOHZCQ-HNNXBMFYSA-N -1 0 321.421 2.217 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000852943012 652481663 /nfs/dbraw/zinc/48/16/63/652481663.db2.gz PJXRAALEJYMDOE-KRWDZBQOSA-N -1 0 304.390 2.212 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000189423394 684381544 /nfs/dbraw/zinc/38/15/44/684381544.db2.gz DOZGESDXFAIVTO-UHFFFAOYSA-N -1 0 318.354 2.463 20 10 DECDRM Cn1nnnc1-c1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864026222 686603211 /nfs/dbraw/zinc/60/32/11/686603211.db2.gz SJZBBAFPXQVDBM-UHFFFAOYSA-N -1 0 317.299 2.473 20 10 DECDRM [O-]c1c(F)c(F)ccc1CNc1ccc(-n2cnnn2)cc1 ZINC000864026079 686603264 /nfs/dbraw/zinc/60/32/64/686603264.db2.gz PBZGBFDAQKYZFI-UHFFFAOYSA-N -1 0 303.272 2.258 20 10 DECDRM Cn1nnnc1-c1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864040583 686604640 /nfs/dbraw/zinc/60/46/40/686604640.db2.gz FNILHFMNXSDWOZ-UHFFFAOYSA-N -1 0 317.299 2.473 20 10 DECDRM [O-]c1c(CN2CCO[C@@]3(CCSC3)C2)ccc(F)c1F ZINC000864050931 686605271 /nfs/dbraw/zinc/60/52/71/686605271.db2.gz VXMJBPFTUUDRPI-AWEZNQCLSA-N -1 0 301.358 2.378 20 10 DECDRM O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccnn1CC1CCC1 ZINC000865216930 686967395 /nfs/dbraw/zinc/96/73/95/686967395.db2.gz GSUITQFKRUFUKY-LFIBNONCSA-N -1 0 322.368 2.145 20 10 DECDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)n1 ZINC000872330928 688984124 /nfs/dbraw/zinc/98/41/24/688984124.db2.gz PZHSULUKLHHTJU-UHFFFAOYSA-N -1 0 309.391 2.498 20 10 DECDRM CCC(C)(CC)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872932171 689123331 /nfs/dbraw/zinc/12/33/31/689123331.db2.gz MKKNGSCXQIJDIK-UHFFFAOYSA-N -1 0 322.405 2.281 20 10 DECDRM CCOC(=O)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876655110 689890615 /nfs/dbraw/zinc/89/06/15/689890615.db2.gz WNZWMRNRZIAWBK-UHFFFAOYSA-N -1 0 314.332 2.335 20 10 DECDRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000877464203 690120480 /nfs/dbraw/zinc/12/04/80/690120480.db2.gz HYLCBXLJOOOZJB-PUYPPJJSSA-N -1 0 311.328 2.444 20 10 DECDRM O=C1N[C@@H](c2ccc(F)c(F)c2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866463 690250184 /nfs/dbraw/zinc/25/01/84/690250184.db2.gz UBROABDRQQMJEM-XJKSGUPXSA-N -1 0 316.307 2.226 20 10 DECDRM CC(C)c1cc([N-]S(=O)(=O)c2cnc3n2CCC3)ccc1O ZINC000882798899 691364015 /nfs/dbraw/zinc/36/40/15/691364015.db2.gz IHMSFTCPRPHPBL-UHFFFAOYSA-N -1 0 321.402 2.459 20 10 DECDRM COc1cc(C(=O)[O-])cc(N(CCO)c2ccc(N)cc2)c1 ZINC001213590657 777219159 /nfs/dbraw/zinc/21/91/59/777219159.db2.gz DOMLMPOFDRFHKP-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@](F)(CO)C1 ZINC001144299238 790849879 /nfs/dbraw/zinc/84/98/79/790849879.db2.gz SQJBSBPBAAQLKU-GFCCVEGCSA-N -1 0 322.149 2.200 20 10 DECDRM O=C([O-])c1ccc(NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001169996984 785839334 /nfs/dbraw/zinc/83/93/34/785839334.db2.gz PKTWBTSMPIEPHQ-UHFFFAOYSA-N -1 0 304.258 2.316 20 10 DECDRM C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccncc1 ZINC001147878316 791644708 /nfs/dbraw/zinc/64/47/08/791644708.db2.gz AUSOTZFYULTBFZ-GFCCVEGCSA-N -1 0 308.341 2.052 20 10 DECDRM COC[C@@H]1Cn2nccc2CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684702 794930449 /nfs/dbraw/zinc/93/04/49/794930449.db2.gz OUIOWLVNBZVWOJ-NSHDSACASA-N -1 0 323.343 2.145 20 10 DECDRM Cc1cnc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)nc1 ZINC001139690127 796411199 /nfs/dbraw/zinc/41/11/99/796411199.db2.gz PQOAUKUHZDQUMH-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc(O)c1O ZINC001189688438 796865641 /nfs/dbraw/zinc/86/56/41/796865641.db2.gz JHIJYKGBTIIBSQ-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM Nc1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)c(CCO)c1 ZINC001193624648 797595154 /nfs/dbraw/zinc/59/51/54/797595154.db2.gz HZNIUBDGARUAJB-UHFFFAOYSA-N -1 0 322.748 2.121 20 10 DECDRM COc1cc(OC)c(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1 ZINC001193605390 797601756 /nfs/dbraw/zinc/60/17/56/797601756.db2.gz FQDPEVONUQRCJJ-UHFFFAOYSA-N -1 0 324.720 2.416 20 10 DECDRM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563523 801686103 /nfs/dbraw/zinc/68/61/03/801686103.db2.gz CAOTZJJSVAVMCX-ZDUSSCGKSA-N -1 0 321.373 2.397 20 10 DECDRM Nc1ccc(N(CCO)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001215274292 801828667 /nfs/dbraw/zinc/82/86/67/801828667.db2.gz QORMCOZEGPFJQW-UHFFFAOYSA-N -1 0 308.284 2.376 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001233497652 802133913 /nfs/dbraw/zinc/13/39/13/802133913.db2.gz QLQLMGDCMFISTL-BNGAFQBXSA-N -1 0 308.330 2.221 20 10 DECDRM O=C([O-])/C=C/c1cc(C(=O)NCc2c(O)cccc2F)co1 ZINC001594968435 955079108 /nfs/dbraw/zinc/07/91/08/955079108.db2.gz OFPPQGKRLFHQJY-SNAWJCMRSA-N -1 0 305.261 2.152 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCC(=O)[O-] ZINC001356381099 958175523 /nfs/dbraw/zinc/17/55/23/958175523.db2.gz BYMRBDKBMWWOPS-UHFFFAOYSA-N -1 0 307.394 2.067 20 10 DECDRM C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1O ZINC001594205177 959267279 /nfs/dbraw/zinc/26/72/79/959267279.db2.gz SULLTWFDPSIICE-LLVKDONJSA-N -1 0 315.325 2.347 20 10 DECDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001603496873 973453671 /nfs/dbraw/zinc/45/36/71/973453671.db2.gz YRFYUQCDDMSQSU-QMMMGPOBSA-N -1 0 309.343 2.248 20 10 DECDRM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708089116 977414875 /nfs/dbraw/zinc/41/48/75/977414875.db2.gz KBMPNHIWGZGKGQ-SNVBAGLBSA-N -1 0 303.330 2.063 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001594740976 981608013 /nfs/dbraw/zinc/60/80/13/981608013.db2.gz JHTHWJDHRRRLQI-HNNXBMFYSA-N -1 0 304.390 2.356 20 10 DECDRM C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1O ZINC001599894341 984734055 /nfs/dbraw/zinc/73/40/55/984734055.db2.gz SWKMMOJYZUVRFV-JQWIXIFHSA-N -1 0 306.362 2.253 20 10 DECDRM C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001589005533 984965614 /nfs/dbraw/zinc/96/56/14/984965614.db2.gz IVIYQIMASWMIHF-CKDIWJPDSA-N -1 0 324.336 2.364 20 10 DECDRM CC(C)(C)CCS(=O)(=O)Nc1cc(F)c(O)cc1C(=O)[O-] ZINC001589780293 988150486 /nfs/dbraw/zinc/15/04/86/988150486.db2.gz XQUBZFXWPZZOIX-UHFFFAOYSA-N -1 0 319.354 2.407 20 10 DECDRM CN(C)c1ccc(CN(c2ccnc(C(=O)[O-])n2)C2CC2)cc1 ZINC001598318186 991313232 /nfs/dbraw/zinc/31/32/32/991313232.db2.gz RUARALPKEMHYQW-UHFFFAOYSA-N -1 0 312.373 2.410 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001598519193 992657662 /nfs/dbraw/zinc/65/76/62/992657662.db2.gz JZAHGSAPAISCES-KGLIPLIRSA-N -1 0 319.405 2.147 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598530384 992772171 /nfs/dbraw/zinc/77/21/71/992772171.db2.gz CXQAVVYDJBOTAV-VQHVLOKHSA-N -1 0 301.298 2.355 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)Nc1nccs1 ZINC001593679402 996100459 /nfs/dbraw/zinc/10/04/59/996100459.db2.gz JNSNZQVUGAENQP-YFKPBYRVSA-N -1 0 315.401 2.417 20 10 DECDRM CO[C@@H](C)c1noc(CSc2ncc(C(=O)[O-])s2)n1 ZINC001599043511 999134649 /nfs/dbraw/zinc/13/46/49/999134649.db2.gz UOIUNNCOSIUDQL-YFKPBYRVSA-N -1 0 301.349 2.224 20 10 DECDRM C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001594434590 999613764 /nfs/dbraw/zinc/61/37/64/999613764.db2.gz YPKMALFCRDXOIK-KJGKVODESA-N -1 0 320.345 2.147 20 10 DECDRM CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604053413 1070186827 /nfs/dbraw/zinc/18/68/27/1070186827.db2.gz CBPOHHFDMOHHFA-RISCZKNCSA-N -1 0 319.409 2.022 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccoc1CC(=O)[O-] ZINC001605530460 1070750601 /nfs/dbraw/zinc/75/06/01/1070750601.db2.gz IKGFNFYMVZDYGD-UHFFFAOYSA-N -1 0 324.329 2.028 20 10 DECDRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1O ZINC001607726947 1071538471 /nfs/dbraw/zinc/53/84/71/1071538471.db2.gz GQPUPXMNYAKYMB-GFCCVEGCSA-N -1 0 313.309 2.235 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001607810939 1071567021 /nfs/dbraw/zinc/56/70/21/1071567021.db2.gz BRFBWHNHRUVKRI-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC001621417491 1078174207 /nfs/dbraw/zinc/17/42/07/1078174207.db2.gz IDXBOFFZBQOJAG-YIZRAAEISA-N -1 0 300.761 2.282 20 10 DECDRM O=C(c1cccc(O)c1O)N1CCOc2cc(F)ccc2C1 ZINC001641863880 1078732857 /nfs/dbraw/zinc/73/28/57/1078732857.db2.gz ANHWHLYIPINLDX-UHFFFAOYSA-N -1 0 303.289 2.272 20 10 DECDRM Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])[nH]c1=O ZINC001556884825 1075047932 /nfs/dbraw/zinc/04/79/32/1075047932.db2.gz LQVKLYNAZLMWJI-UHFFFAOYSA-N -1 0 316.144 2.068 20 10 DECDRM Cc1cc(CC(=O)N[C@H](CF)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001600187630 1077155249 /nfs/dbraw/zinc/15/52/49/1077155249.db2.gz VJMHXGNVTVONJG-OAHLLOKOSA-N -1 0 318.348 2.176 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001600236549 1077167726 /nfs/dbraw/zinc/16/77/26/1077167726.db2.gz ZRPNEBOTQFWFST-CQSZACIVSA-N -1 0 317.389 2.034 20 10 DECDRM Cc1cc(NC(=O)[C@@H](C)Sc2ncc(C(=O)[O-])s2)on1 ZINC001600251473 1077169294 /nfs/dbraw/zinc/16/92/94/1077169294.db2.gz XLIBYPRSFFUHCZ-ZCFIWIBFSA-N -1 0 313.360 2.257 20 10 DECDRM O=C([O-])C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC001601239206 1077364103 /nfs/dbraw/zinc/36/41/03/1077364103.db2.gz VHVWHVFGNRONRE-FNORWQNLSA-N -1 0 319.357 2.262 20 10 DECDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001602107962 1077508188 /nfs/dbraw/zinc/50/81/88/1077508188.db2.gz KZFNJOJIVWWFDN-GXFFZTMASA-N -1 0 304.346 2.061 20 10 DECDRM O=C([O-])c1ccoc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001608287040 1077622267 /nfs/dbraw/zinc/62/22/67/1077622267.db2.gz IIXVWCHRYGTILP-RQOWECAXSA-N -1 0 304.254 2.146 20 10 DECDRM O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001608533693 1077651327 /nfs/dbraw/zinc/65/13/27/1077651327.db2.gz WZJDUXUKTVRHNI-SKDRFNHKSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001608533245 1077651762 /nfs/dbraw/zinc/65/17/62/1077651762.db2.gz WIBVOHOOSPPNLW-CMPLNLGQSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])CCCCCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001608710732 1077682480 /nfs/dbraw/zinc/68/24/80/1077682480.db2.gz LXPFQZAQUBPGKY-CLFYSBASSA-N -1 0 307.346 2.262 20 10 DECDRM Cc1nc(CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC001610554716 1078040835 /nfs/dbraw/zinc/04/08/35/1078040835.db2.gz QDJQPXIVHKXDLZ-GQCTYLIASA-N -1 0 318.289 2.020 20 10 DECDRM O=C1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1F ZINC001235301765 1084379165 /nfs/dbraw/zinc/37/91/65/1084379165.db2.gz GVQUQGWJWWWMEA-JTQLQIEISA-N -1 0 320.133 2.407 20 10 DECDRM O=C1CCc2cc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)ccc21 ZINC001212566129 1086558332 /nfs/dbraw/zinc/55/83/32/1086558332.db2.gz DPVNHSQSMGHWAG-UHFFFAOYSA-N -1 0 309.281 2.339 20 10 DECDRM COc1ccc(CN2CCO[C@]3(CCOC3)C2)c([O-])c1Cl ZINC001236803579 1138434135 /nfs/dbraw/zinc/43/41/35/1138434135.db2.gz VIDQKOWMMJQIDL-OAHLLOKOSA-N -1 0 313.781 2.046 20 10 DECDRM Oc1cc(Cl)c(F)cc1CN1CCO[C@]2(CCOC2)C1 ZINC001237933419 1138811014 /nfs/dbraw/zinc/81/10/14/1138811014.db2.gz BNDKIPTXDLCPMY-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001340463308 1143351381 /nfs/dbraw/zinc/35/13/81/1143351381.db2.gz QTTCJSBBGUDARW-GXTWGEPZSA-N -1 0 319.405 2.147 20 10 DECDRM CC[C@H](CNC(=O)NCCCSc1nccs1)C(=O)[O-] ZINC001341361192 1143589129 /nfs/dbraw/zinc/58/91/29/1143589129.db2.gz BMKGQSLHYKXNLY-SECBINFHSA-N -1 0 317.436 2.035 20 10 DECDRM CC(C)Cc1nnc(-c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001256426355 1143848668 /nfs/dbraw/zinc/84/86/68/1143848668.db2.gz NABTVDFBSHVWEV-UHFFFAOYSA-N -1 0 302.286 2.453 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)C2CCCC2)c1C(N)=O ZINC001259793401 1144130198 /nfs/dbraw/zinc/13/01/98/1144130198.db2.gz DZWCUMCUHURZCM-UHFFFAOYSA-N -1 0 316.448 2.402 20 10 DECDRM COc1ccc(CS(=O)(=O)Nc2ccc(O)c(F)c2)cc1 ZINC001259899378 1144156003 /nfs/dbraw/zinc/15/60/03/1144156003.db2.gz KKMYJYIAIUPILO-UHFFFAOYSA-N -1 0 311.334 2.482 20 10 DECDRM CCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(O)c1 ZINC001260441265 1144187297 /nfs/dbraw/zinc/18/72/97/1144187297.db2.gz YTYUGZVUIKKDOY-UHFFFAOYSA-N -1 0 319.342 2.292 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)[C@H](C)CC)c1C(N)=O ZINC001260726087 1144200225 /nfs/dbraw/zinc/20/02/25/1144200225.db2.gz XUTYYPCYRHMMOI-SSDOTTSWSA-N -1 0 304.437 2.258 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])CCS1(=O)=O ZINC000294713654 224187039 /nfs/dbraw/zinc/18/70/39/224187039.db2.gz OYRFNDROLOULPR-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000271787227 402884453 /nfs/dbraw/zinc/88/44/53/402884453.db2.gz IBHIPSRIYRUGBK-LBPRGKRZSA-N -1 0 300.196 2.420 20 10 DECDRM CCOC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000529667545 405763075 /nfs/dbraw/zinc/76/30/75/405763075.db2.gz YKBYSDPRKTYSMJ-NSHDSACASA-N -1 0 303.761 2.422 20 10 DECDRM CCOC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000529667544 405763221 /nfs/dbraw/zinc/76/32/21/405763221.db2.gz YKBYSDPRKTYSMJ-LLVKDONJSA-N -1 0 303.761 2.422 20 10 DECDRM C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179772461 297171868 /nfs/dbraw/zinc/17/18/68/297171868.db2.gz CTJWMSGGKJDACS-MRVPVSSYSA-N -1 0 324.229 2.318 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001357172759 1152262523 /nfs/dbraw/zinc/26/25/23/1152262523.db2.gz IVAFSCKSSRDLQI-OLZOCXBDSA-N -1 0 321.421 2.012 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000387354316 600126441 /nfs/dbraw/zinc/12/64/41/600126441.db2.gz YWZDCCJGECEHRG-DUMNWFOQSA-N -1 0 306.318 2.308 20 10 DECDRM COCCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000737759214 600409309 /nfs/dbraw/zinc/40/93/09/600409309.db2.gz DVDHSVHWFOUWSJ-UHFFFAOYSA-N -1 0 301.770 2.359 20 10 DECDRM Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)o1 ZINC000832986393 601006968 /nfs/dbraw/zinc/00/69/68/601006968.db2.gz VXQCIZKUDQKEAR-UHFFFAOYSA-N -1 0 310.737 2.429 20 10 DECDRM C[C@@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1)C(=O)[O-] ZINC000039557370 602094535 /nfs/dbraw/zinc/09/45/35/602094535.db2.gz HQNPFRQQMYKSJB-LWYMYGMPSA-N -1 0 309.368 2.027 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000827156072 603419212 /nfs/dbraw/zinc/41/92/12/603419212.db2.gz AWEXNZOCYSTJIV-GFCCVEGCSA-N -1 0 307.394 2.147 20 10 DECDRM CCC1(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1 ZINC000826640294 603451069 /nfs/dbraw/zinc/45/10/69/603451069.db2.gz UIXUFEHIVWVVCJ-AWEZNQCLSA-N -1 0 319.405 2.368 20 10 DECDRM C[C@@H]1OCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000380429912 604272998 /nfs/dbraw/zinc/27/29/98/604272998.db2.gz WHDSDPYVGONRMK-UARRTVENSA-N -1 0 306.318 2.306 20 10 DECDRM C[C@@H](CC(=O)NCc1ccccc1O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824665280 604580612 /nfs/dbraw/zinc/58/06/12/604580612.db2.gz TXIQQPSLDHAWQB-GXTWGEPZSA-N -1 0 320.389 2.425 20 10 DECDRM C[C@H]1COCCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000399622910 604797875 /nfs/dbraw/zinc/79/78/75/604797875.db2.gz SBTQAVHYYMFPSD-MALLOTDXSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@H](O)[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833526263 604874840 /nfs/dbraw/zinc/87/48/40/604874840.db2.gz HKZHQTKUNKRMCV-YQCLLZEUSA-N -1 0 320.345 2.290 20 10 DECDRM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1O ZINC000148139996 605199775 /nfs/dbraw/zinc/19/97/75/605199775.db2.gz KTTZPNXGRDDSHZ-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000923973597 636758351 /nfs/dbraw/zinc/75/83/51/636758351.db2.gz QSPYBRKSPLADHP-ZIBATOQPSA-N -1 0 308.353 2.288 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000895075752 637502281 /nfs/dbraw/zinc/50/22/81/637502281.db2.gz GRMPUUWUVPCLPR-AWEZNQCLSA-N -1 0 301.358 2.378 20 10 DECDRM C[C@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000840976947 650398943 /nfs/dbraw/zinc/39/89/43/650398943.db2.gz IDKAUHVCISPDFH-UFBFGSQYSA-N -1 0 306.189 2.281 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(F)cc(F)c1 ZINC000755589903 639565549 /nfs/dbraw/zinc/56/55/49/639565549.db2.gz GJXCWUNIZUBCEC-RIYZIHGNSA-N -1 0 300.264 2.426 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C)ncn2)c1 ZINC000756776839 639694121 /nfs/dbraw/zinc/69/41/21/639694121.db2.gz SGKNTGRMYSKXPT-NSHDSACASA-N -1 0 301.346 2.128 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000321733990 640359116 /nfs/dbraw/zinc/35/91/16/640359116.db2.gz UDWDKKWUPNBZPV-OAHLLOKOSA-N -1 0 324.333 2.303 20 10 DECDRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nonc32)cc1O ZINC000762455875 640428814 /nfs/dbraw/zinc/42/88/14/640428814.db2.gz LWHMNTOBYYKGIM-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM C=Cn1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cn1 ZINC000772177889 641609427 /nfs/dbraw/zinc/60/94/27/641609427.db2.gz YAZMCUXCFJCGPV-UXBLZVDNSA-N -1 0 323.399 2.050 20 10 DECDRM O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000899330995 642037808 /nfs/dbraw/zinc/03/78/08/642037808.db2.gz FCKWDRSRVHVIBK-LBPRGKRZSA-N -1 0 321.308 2.385 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000843037279 650873128 /nfs/dbraw/zinc/87/31/28/650873128.db2.gz WIDAUDURSBZORA-NXEZZACHSA-N -1 0 324.333 2.159 20 10 DECDRM CCO[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910335278 645412192 /nfs/dbraw/zinc/41/21/92/645412192.db2.gz QUCZWSNKFVVBEL-FUEXJSSKSA-N -1 0 306.318 2.308 20 10 DECDRM CCCCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911487814 645722028 /nfs/dbraw/zinc/72/20/28/645722028.db2.gz WMOSHIVQYCWXIF-GFCCVEGCSA-N -1 0 309.362 2.011 20 10 DECDRM CCOC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839184 645995651 /nfs/dbraw/zinc/99/56/51/645995651.db2.gz YOAFZBRAEPXUAA-UHFFFAOYSA-N -1 0 321.160 2.061 20 10 DECDRM CSCC[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683707 646799552 /nfs/dbraw/zinc/79/95/52/646799552.db2.gz AKBQPTJTMBRETJ-SNVBAGLBSA-N -1 0 324.229 2.429 20 10 DECDRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514249 647145528 /nfs/dbraw/zinc/14/55/28/647145528.db2.gz RDAVWKVTYMARRH-BDAKNGLRSA-N -1 0 321.801 2.192 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C/c2cccc(F)c2F)SC1=S ZINC000730807382 647408796 /nfs/dbraw/zinc/40/87/96/647408796.db2.gz VPQJMSHURYXZBN-YWEYNIOJSA-N -1 0 315.322 2.251 20 10 DECDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000917716066 648025181 /nfs/dbraw/zinc/02/51/81/648025181.db2.gz KHQIEFTUBZJJLQ-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM C[C@H](Nc1nc(C(=O)[O-])co1)c1ccc(N2CCOCC2)cc1 ZINC000844208929 651092443 /nfs/dbraw/zinc/09/24/43/651092443.db2.gz VXNYYQYYVITUNE-NSHDSACASA-N -1 0 317.345 2.383 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000844210399 651092947 /nfs/dbraw/zinc/09/29/47/651092947.db2.gz VVGKOQOBPBTPQO-HWKANZROSA-N -1 0 318.329 2.452 20 10 DECDRM CO[C@H]1C[C@@H](N(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844219778 651095303 /nfs/dbraw/zinc/09/53/03/651095303.db2.gz WIWYULLUHQVBRM-STNZKUDTSA-N -1 0 306.318 2.306 20 10 DECDRM CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000844656768 651151771 /nfs/dbraw/zinc/15/17/71/651151771.db2.gz JZDJDOZXMVLUOM-JTQLQIEISA-N -1 0 301.364 2.411 20 10 DECDRM COc1ccnc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000846280505 651320320 /nfs/dbraw/zinc/32/03/20/651320320.db2.gz YYBNKCXNJQBFQA-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000846701979 651347088 /nfs/dbraw/zinc/34/70/88/651347088.db2.gz KIOAVVIFRWWQTP-QWHCGFSZSA-N -1 0 317.385 2.388 20 10 DECDRM C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000848586162 651476080 /nfs/dbraw/zinc/47/60/80/651476080.db2.gz HWAYMTJBLMADEW-LBPRGKRZSA-N -1 0 319.405 2.147 20 10 DECDRM CC(C)[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848587060 651476197 /nfs/dbraw/zinc/47/61/97/651476197.db2.gz BQKPARNTZVIETO-HNNXBMFYSA-N -1 0 321.421 2.251 20 10 DECDRM CN(CC1=CCCOC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000849348431 651655372 /nfs/dbraw/zinc/65/53/72/651655372.db2.gz NZUKIFDBNJTKBY-FNORWQNLSA-N -1 0 318.329 2.476 20 10 DECDRM C[C@]12COC[C@H]1CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000849348924 651655626 /nfs/dbraw/zinc/65/56/26/651655626.db2.gz VZXXBNQJCZFNLQ-OXUOGIBSSA-N -1 0 318.329 2.165 20 10 DECDRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC000851650636 652198457 /nfs/dbraw/zinc/19/84/57/652198457.db2.gz IYDFLCSTLLWORR-GFCCVEGCSA-N -1 0 319.405 2.368 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000852942690 652481644 /nfs/dbraw/zinc/48/16/44/652481644.db2.gz LWWBHBZKKIZHFA-RNCFNFMXSA-N -1 0 309.362 2.325 20 10 DECDRM COc1ccc(N2CCN(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000387488755 685423078 /nfs/dbraw/zinc/42/30/78/685423078.db2.gz IDJZCUOARQPCKK-UHFFFAOYSA-N -1 0 319.386 2.177 20 10 DECDRM CN(C)c1cc(F)c(CNC2(c3nn[n-]n3)CCCC2)cc1F ZINC000862293729 686274261 /nfs/dbraw/zinc/27/42/61/686274261.db2.gz NXKWADJMQQYBGW-UHFFFAOYSA-N -1 0 322.363 2.103 20 10 DECDRM CC[C@H](C)[C@@H](C)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872909335 689117283 /nfs/dbraw/zinc/11/72/83/689117283.db2.gz KEWRRQLNBIOQHA-QWHCGFSZSA-N -1 0 322.405 2.137 20 10 DECDRM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000874043167 689345035 /nfs/dbraw/zinc/34/50/35/689345035.db2.gz OWRMBPISFCOZFC-AWEZNQCLSA-N -1 0 317.744 2.108 20 10 DECDRM CC(C)(C)C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876567040 689859544 /nfs/dbraw/zinc/85/95/44/689859544.db2.gz ZXERWCZFSPDABN-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM CCC(=O)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001143960207 790697771 /nfs/dbraw/zinc/69/77/71/790697771.db2.gz DQEZKJCUNBQHAF-UHFFFAOYSA-N -1 0 323.304 2.085 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1CC2(CCO2)C1 ZINC001144306690 790854343 /nfs/dbraw/zinc/85/43/43/790854343.db2.gz MGAMEQRXIBAXCZ-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM COC[C@H]1CN(Cc2c([O-])cc(F)cc2F)Cc2ncn(C)c21 ZINC001140580782 796540995 /nfs/dbraw/zinc/54/09/95/796540995.db2.gz FGKQFDPVNSIQDK-SNVBAGLBSA-N -1 0 323.343 2.150 20 10 DECDRM CCOC(=O)[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCS1 ZINC001140585345 796542208 /nfs/dbraw/zinc/54/22/08/796542208.db2.gz GCQPTBFDIACKHB-CYBMUJFWSA-N -1 0 317.357 2.151 20 10 DECDRM C[C@H](NS(=O)(=O)c1ncc(F)cc1F)c1ccccc1O ZINC001190197212 796962004 /nfs/dbraw/zinc/96/20/04/796962004.db2.gz VPDKFDSTCNYXBN-QMMMGPOBSA-N -1 0 314.313 2.105 20 10 DECDRM COc1ccc(CCNC(=O)c2cc(O)c([O-])c(Cl)c2)nc1 ZINC001193625395 797595586 /nfs/dbraw/zinc/59/55/86/797595586.db2.gz ICTYQOPIFGMTCC-UHFFFAOYSA-N -1 0 322.748 2.127 20 10 DECDRM O=C(N[C@H]1CCCc2nccnc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193634012 797597681 /nfs/dbraw/zinc/59/76/81/797597681.db2.gz ONZLONCEOHQJDX-NSHDSACASA-N -1 0 319.748 2.349 20 10 DECDRM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccc(O)cc1O ZINC001194044595 797669028 /nfs/dbraw/zinc/66/90/28/797669028.db2.gz FZUFUWXEKVIUIH-UHFFFAOYSA-N -1 0 320.326 2.181 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cc(F)cc(C(=O)[O-])c1 ZINC001209890063 801303293 /nfs/dbraw/zinc/30/32/93/801303293.db2.gz WGGYCMPUGQAGGG-UHFFFAOYSA-N -1 0 324.333 2.204 20 10 DECDRM C[C@@H]1CN(C2CN(Cc3cccc(Cl)c3[O-])C2)C[C@@H](C)O1 ZINC001231913711 801749741 /nfs/dbraw/zinc/74/97/41/801749741.db2.gz QEOSNUDHTMGOQH-VXGBXAGGSA-N -1 0 310.825 2.339 20 10 DECDRM CS(=O)(=O)N(c1ccsc1C(=O)[O-])c1ccc(N)cc1 ZINC001215394041 801854893 /nfs/dbraw/zinc/85/48/93/801854893.db2.gz HIVBMRSBXHSOTG-UHFFFAOYSA-N -1 0 312.372 2.126 20 10 DECDRM O=C1CCN(Cc2c([O-])cc(Br)cc2F)C[C@H]1F ZINC001233031536 802009574 /nfs/dbraw/zinc/00/95/74/802009574.db2.gz FZHRJYQXPNQLKP-SNVBAGLBSA-N -1 0 320.133 2.407 20 10 DECDRM COC(=O)c1cc(Br)c([O-])c(CN2CC(F)C2)c1 ZINC001233306313 802071108 /nfs/dbraw/zinc/07/11/08/802071108.db2.gz MUJZNJNFGCXSCD-UHFFFAOYSA-N -1 0 318.142 2.095 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCCN(C(C)=O)C1 ZINC001233497765 802134091 /nfs/dbraw/zinc/13/40/91/802134091.db2.gz RIQKDPWGYKYKMH-LBPRGKRZSA-N -1 0 321.373 2.470 20 10 DECDRM O=C1c2ccc(OC[C@H]3C[C@H](O)C3)cc2C(=O)c2ccc([O-])cc21 ZINC001218427609 802181539 /nfs/dbraw/zinc/18/15/39/802181539.db2.gz JEBIORCZNIQQTI-UMSPYCQHSA-N -1 0 324.332 2.317 20 10 DECDRM C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000708173653 954992909 /nfs/dbraw/zinc/99/29/09/954992909.db2.gz XWGSPBGSRSTNKD-RXMQYKEDSA-N -1 0 308.559 2.371 20 10 DECDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC001594727166 957015763 /nfs/dbraw/zinc/01/57/63/957015763.db2.gz RHUQYUCRMKEZFE-QWHCGFSZSA-N -1 0 313.309 2.141 20 10 DECDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)c2ccccc21 ZINC001594728450 957025649 /nfs/dbraw/zinc/02/56/49/957025649.db2.gz YIIHCZVDCJTVBN-VXGBXAGGSA-N -1 0 303.339 2.497 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001605296348 973107502 /nfs/dbraw/zinc/10/75/02/973107502.db2.gz FQYSYCDHVMBZRE-UHFFFAOYSA-N -1 0 315.325 2.094 20 10 DECDRM CC[N@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1[O-] ZINC001596224846 983615425 /nfs/dbraw/zinc/61/54/25/983615425.db2.gz DXJHNAWXVKXKPL-UHFFFAOYSA-N -1 0 302.168 2.370 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC001596288272 983707711 /nfs/dbraw/zinc/70/77/11/983707711.db2.gz JMNLYUFSQFEADK-ZFWWWQNUSA-N -1 0 319.405 2.053 20 10 DECDRM C/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001588937419 984615994 /nfs/dbraw/zinc/61/59/94/984615994.db2.gz GORPYBPRCMVPSM-GAJOTYCWSA-N -1 0 323.352 2.485 20 10 DECDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1O ZINC001599894424 984734621 /nfs/dbraw/zinc/73/46/21/984734621.db2.gz SYGJTAWCFSRCSG-CDCRFNPESA-N -1 0 318.373 2.252 20 10 DECDRM CN(CC1(C)COC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598442769 991863271 /nfs/dbraw/zinc/86/32/71/991863271.db2.gz VWTDDKYILQZEMO-GQCTYLIASA-N -1 0 306.318 2.165 20 10 DECDRM CN(Cc1nnc(C2CC2)o1)c1ccc(OCC(=O)[O-])cc1 ZINC001598539309 992881522 /nfs/dbraw/zinc/88/15/22/992881522.db2.gz CUDMYQGJQJLRGN-UHFFFAOYSA-N -1 0 303.318 2.047 20 10 DECDRM COc1c(NCc2ccc(N(C)C)cc2C)ncnc1C(=O)[O-] ZINC001599344981 997987910 /nfs/dbraw/zinc/98/79/10/997987910.db2.gz RSVWXWNZIWWZOR-UHFFFAOYSA-N -1 0 316.361 2.170 20 10 DECDRM COc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc(O)c1O ZINC001599347355 998031334 /nfs/dbraw/zinc/03/13/34/998031334.db2.gz XZZRVRGPUWRCOW-UHFFFAOYSA-N -1 0 314.297 2.358 20 10 DECDRM CC(=O)c1cc(F)c([O-])c(NC(=O)Cc2ccc(N)cc2)c1 ZINC001575033066 1069339742 /nfs/dbraw/zinc/33/97/42/1069339742.db2.gz BWFRDPPPPQOSFA-UHFFFAOYSA-N -1 0 302.305 2.497 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237805357 1138795200 /nfs/dbraw/zinc/79/52/00/1138795200.db2.gz LOXQGTSIKNHKSK-NSHDSACASA-N -1 0 321.801 2.194 20 10 DECDRM COCCN(CCF)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001606888772 1071234735 /nfs/dbraw/zinc/23/47/35/1071234735.db2.gz KQNKYAPIAUXXJB-HYXAFXHYSA-N -1 0 312.297 2.115 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001607276960 1071393207 /nfs/dbraw/zinc/39/32/07/1071393207.db2.gz GWHFNXWDAWNDBT-WCFLWFBJSA-N -1 0 321.373 2.469 20 10 DECDRM Cc1c(C(=O)[O-])cc(C[NH2+]Cc2cc(F)c(F)cc2[O-])n1C ZINC001599996359 1077121212 /nfs/dbraw/zinc/12/12/12/1077121212.db2.gz FUBHYLJWOWOQQY-UHFFFAOYSA-N -1 0 310.300 2.305 20 10 DECDRM Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)C(=O)[O-])cc1 ZINC001600375993 1077190359 /nfs/dbraw/zinc/19/03/59/1077190359.db2.gz CTNGKDSJACGQRX-MRXNPFEDSA-N -1 0 312.369 2.104 20 10 DECDRM Cc1ccc(O)c(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600467305 1077206895 /nfs/dbraw/zinc/20/68/95/1077206895.db2.gz POCPOBWLGPZOAZ-UHFFFAOYSA-N -1 0 303.274 2.314 20 10 DECDRM Cn1ccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])n1 ZINC001600976041 1077314243 /nfs/dbraw/zinc/31/42/43/1077314243.db2.gz UNZIBOKSGCFAQA-UHFFFAOYSA-N -1 0 316.336 2.039 20 10 DECDRM O=C([O-])C1(CCCCNC(=O)c2cccc(O)c2O)CCC1 ZINC001601496880 1077404074 /nfs/dbraw/zinc/40/40/74/1077404074.db2.gz IUTXACWRPAZHBV-UHFFFAOYSA-N -1 0 307.346 2.253 20 10 DECDRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC001601900189 1077473120 /nfs/dbraw/zinc/47/31/20/1077473120.db2.gz VBTBLRDWWUMJLA-CFNZNRNTSA-N -1 0 319.357 2.261 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001609752264 1077916970 /nfs/dbraw/zinc/91/69/70/1077916970.db2.gz CUDMZVWDIUZEHL-JTQLQIEISA-N -1 0 315.325 2.157 20 10 DECDRM Cc1cc(C(=O)[O-])nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC001610443708 1078021010 /nfs/dbraw/zinc/02/10/10/1078021010.db2.gz OBGJWVTUSOVQNB-UHFFFAOYSA-N -1 0 304.325 2.300 20 10 DECDRM O=C([O-])c1ccc(NCc2cc(Br)ccc2O)nn1 ZINC001171175268 1091736289 /nfs/dbraw/zinc/73/62/89/1091736289.db2.gz HYPUQQUJZLMGQG-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001339714407 1143085939 /nfs/dbraw/zinc/08/59/39/1143085939.db2.gz CDBBFHQCKYCUMH-NWDGAFQWSA-N -1 0 307.394 2.224 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)c(F)cc1F ZINC001259034052 1144060418 /nfs/dbraw/zinc/06/04/18/1144060418.db2.gz TXTMIUQFZYNCJA-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2O)cc1F ZINC001260655619 1144194853 /nfs/dbraw/zinc/19/48/53/1144194853.db2.gz QBHIJPSNKSLJDV-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM Cn1nc(-c2ccco2)cc1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001306834715 1147389716 /nfs/dbraw/zinc/38/97/16/1147389716.db2.gz KXJFUWMCZIZNCU-UHFFFAOYSA-N -1 0 317.276 2.483 20 10 DECDRM COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000285169725 131144220 /nfs/dbraw/zinc/14/42/20/131144220.db2.gz VBAJAPRSKUYEST-CYBMUJFWSA-N -1 0 311.765 2.289 20 10 DECDRM Cc1cc(C(=O)NCCCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000262752746 225283634 /nfs/dbraw/zinc/28/36/34/225283634.db2.gz NQJGFPCJZWZWKP-UHFFFAOYSA-N -1 0 301.346 2.084 20 10 DECDRM O=C([O-])NCc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000739991004 600357694 /nfs/dbraw/zinc/35/76/94/600357694.db2.gz HAANPJDYBXRYOI-UHFFFAOYSA-N -1 0 315.329 2.482 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000320633439 601126013 /nfs/dbraw/zinc/12/60/13/601126013.db2.gz CCRFOPMZXMRCKJ-KBPBESRZSA-N -1 0 304.390 2.260 20 10 DECDRM C[C@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000210024434 602099578 /nfs/dbraw/zinc/09/95/78/602099578.db2.gz UENOWBMPALYWLF-CLUBXZQOSA-N -1 0 323.395 2.370 20 10 DECDRM O=C([O-])N1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000831708305 604005320 /nfs/dbraw/zinc/00/53/20/604005320.db2.gz GBKXLOOREQMFME-CQSZACIVSA-N -1 0 318.373 2.030 20 10 DECDRM CC(C)[N@H+](CC(=O)[O-])Cc1cccc(Br)c1[O-] ZINC000820014889 604556996 /nfs/dbraw/zinc/55/69/96/604556996.db2.gz IWHCMPABTRLQSS-UHFFFAOYSA-N -1 0 302.168 2.450 20 10 DECDRM Cc1cc(CN2CCN(Cc3cc(F)cc(F)c3[O-])CC2)on1 ZINC000893914103 636064026 /nfs/dbraw/zinc/06/40/26/636064026.db2.gz CPBZMJPQFXSCKK-UHFFFAOYSA-N -1 0 323.343 2.285 20 10 DECDRM O=S(=O)(CCCF)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805135919 639796600 /nfs/dbraw/zinc/79/66/00/639796600.db2.gz ZZSJZOSCRXCZLQ-UHFFFAOYSA-N -1 0 316.181 2.478 20 10 DECDRM CC(=O)c1cn(C2CN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000897940199 640981411 /nfs/dbraw/zinc/98/14/11/640981411.db2.gz CDEGNYMGUNAARB-UHFFFAOYSA-N -1 0 324.743 2.036 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898192877 641055928 /nfs/dbraw/zinc/05/59/28/641055928.db2.gz MRTVPHHMSWJHJH-GHMZBOCLSA-N -1 0 304.159 2.059 20 10 DECDRM O=C([O-])c1cncc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000899342058 642039078 /nfs/dbraw/zinc/03/90/78/642039078.db2.gz QFFHFKBHZSSTSE-KPKJPENVSA-N -1 0 317.370 2.236 20 10 DECDRM O=C([O-])c1cncc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000899342055 642039122 /nfs/dbraw/zinc/03/91/22/642039122.db2.gz QFFHFKBHZSSTSE-GHXNOFRVSA-N -1 0 317.370 2.236 20 10 DECDRM CC[C@H](C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-] ZINC000780578552 642645190 /nfs/dbraw/zinc/64/51/90/642645190.db2.gz XCUUMOBJLHRKAC-NHYWBVRUSA-N -1 0 321.421 2.360 20 10 DECDRM O=C(Nc1ccc2c(c1)OCCO2)c1c(F)ccc(O)c1[O-] ZINC000789943395 643793457 /nfs/dbraw/zinc/79/34/57/643793457.db2.gz XDYXUJUICFAAAE-UHFFFAOYSA-N -1 0 305.261 2.260 20 10 DECDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000795347284 644557807 /nfs/dbraw/zinc/55/78/07/644557807.db2.gz HHQPNVYVSAQRFK-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000910362429 645423495 /nfs/dbraw/zinc/42/34/95/645423495.db2.gz KZFDKIBCYGDHRK-OYLQIYHASA-N -1 0 318.329 2.308 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)COC1CCCCC1 ZINC000911485691 645721008 /nfs/dbraw/zinc/72/10/08/645721008.db2.gz KASZWQKKWTXJCB-UHFFFAOYSA-N -1 0 321.373 2.155 20 10 DECDRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492410 645723341 /nfs/dbraw/zinc/72/33/41/645723341.db2.gz FPKIBBVWAHZQAW-CHWSQXEVSA-N -1 0 305.374 2.488 20 10 DECDRM CCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000816481210 647139884 /nfs/dbraw/zinc/13/98/84/647139884.db2.gz MOUIJSODDJFXBG-SNVBAGLBSA-N -1 0 321.801 2.194 20 10 DECDRM CCC[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816516348 647145259 /nfs/dbraw/zinc/14/52/59/647145259.db2.gz CERMHCDVWJYGMT-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000816560494 647152624 /nfs/dbraw/zinc/15/26/24/647152624.db2.gz QIOIPGJERNSBIX-UHFFFAOYSA-N -1 0 311.748 2.257 20 10 DECDRM CS(=O)(=O)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816617081 647159614 /nfs/dbraw/zinc/15/96/14/647159614.db2.gz OMLKAWUNCACIFI-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(F)c1 ZINC000914746231 647418771 /nfs/dbraw/zinc/41/87/71/647418771.db2.gz JXARRPKRTPUKKH-UHFFFAOYSA-N -1 0 324.333 2.291 20 10 DECDRM CN(C)c1ccc(CNC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000818623219 647490827 /nfs/dbraw/zinc/49/08/27/647490827.db2.gz RWDCNNZMSKRAAU-UHFFFAOYSA-N -1 0 307.394 2.053 20 10 DECDRM CN(c1ccc(O)cc1)S(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000821199098 648008317 /nfs/dbraw/zinc/00/83/17/648008317.db2.gz TUCQFYVGBYVJDZ-UHFFFAOYSA-N -1 0 315.297 2.201 20 10 DECDRM N#CCOc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000033758517 648155476 /nfs/dbraw/zinc/15/54/76/648155476.db2.gz RHYLPQJFTSGUIH-FOWTUZBSSA-N -1 0 319.320 2.050 20 10 DECDRM O=C1N=C(N2CCOCC2)S/C1=C/c1ccc([O-])c(Cl)c1 ZINC000921265988 648284422 /nfs/dbraw/zinc/28/44/22/648284422.db2.gz UODCMLOJDACXRM-XYOKQWHBSA-N -1 0 324.789 2.348 20 10 DECDRM O=CN1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000827877827 649098649 /nfs/dbraw/zinc/09/86/49/649098649.db2.gz STBLLXPXERGBHJ-UHFFFAOYSA-N -1 0 303.189 2.363 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000831021381 649529771 /nfs/dbraw/zinc/52/97/71/649529771.db2.gz FSDRQCTUDFTLLD-GXTWGEPZSA-N -1 0 319.405 2.114 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000844210433 651092869 /nfs/dbraw/zinc/09/28/69/651092869.db2.gz XBLDYAZWASFVQL-BPJJOFIESA-N -1 0 320.345 2.291 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000844214684 651094318 /nfs/dbraw/zinc/09/43/18/651094318.db2.gz UPIWNBBEEGZUPP-RQOWECAXSA-N -1 0 318.329 2.309 20 10 DECDRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848582707 651475423 /nfs/dbraw/zinc/47/54/23/651475423.db2.gz PNJRWEDWDBOXLH-SWLSCSKDSA-N -1 0 321.421 2.470 20 10 DECDRM Cc1noc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000848928025 651564749 /nfs/dbraw/zinc/56/47/49/651564749.db2.gz UKGLZCVSPHHFSY-UHFFFAOYSA-N -1 0 312.713 2.277 20 10 DECDRM COc1ccc(N2CC[C@H](Nc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000852907430 652478745 /nfs/dbraw/zinc/47/87/45/652478745.db2.gz BSOCVFRHERZSEA-LBPRGKRZSA-N -1 0 313.357 2.479 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000852950173 652483423 /nfs/dbraw/zinc/48/34/23/652483423.db2.gz DYGKBXOREMWOAV-UHFFFAOYSA-N -1 0 302.374 2.158 20 10 DECDRM CC(C)CCc1cc(=O)n(C2=NS(=O)(=O)c3ccccc32)[n-]1 ZINC000871946666 688899909 /nfs/dbraw/zinc/89/99/09/688899909.db2.gz GYUUMEWOBCDXRD-UHFFFAOYSA-N -1 0 319.386 2.160 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N(C)[C@@H](C)C(C)C)cc1 ZINC000872945031 689126169 /nfs/dbraw/zinc/12/61/69/689126169.db2.gz JFKQHPPSGCZJSR-ZDUSSCGKSA-N -1 0 322.405 2.089 20 10 DECDRM [O-]c1c(CN2CCN(Cc3ccncc3)CC2)ccc(F)c1F ZINC000877169994 690036552 /nfs/dbraw/zinc/03/65/52/690036552.db2.gz XEHFPMTYDIDISB-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM O=C1CN(Cc2ccc(F)c(F)c2[O-])CN1CCC(F)(F)F ZINC000877563597 690153605 /nfs/dbraw/zinc/15/36/05/690153605.db2.gz NWIYMLWDYHHUJT-UHFFFAOYSA-N -1 0 324.249 2.225 20 10 DECDRM CC[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000894763072 692987224 /nfs/dbraw/zinc/98/72/24/692987224.db2.gz XOFMRTIYHDVYAB-CABZTGNLSA-N -1 0 319.373 2.068 20 10 DECDRM CNC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000722189947 778493785 /nfs/dbraw/zinc/49/37/85/778493785.db2.gz SXGRBJUFXFDJAX-UHFFFAOYSA-N -1 0 318.204 2.156 20 10 DECDRM Cc1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cc1O ZINC001147884360 791646460 /nfs/dbraw/zinc/64/64/60/791646460.db2.gz QKAUBRGBKOJDHX-UHFFFAOYSA-N -1 0 309.325 2.432 20 10 DECDRM CCc1ncsc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880682 791646551 /nfs/dbraw/zinc/64/65/51/791646551.db2.gz FGYBHCPGVBYQMT-UHFFFAOYSA-N -1 0 314.370 2.437 20 10 DECDRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(O)c1O ZINC001148220036 791714363 /nfs/dbraw/zinc/71/43/63/791714363.db2.gz MPBOTJVPZUGAOV-UHFFFAOYSA-N -1 0 311.297 2.241 20 10 DECDRM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185047396 796176953 /nfs/dbraw/zinc/17/69/53/796176953.db2.gz GCWQYKAWKZEBRW-UHFFFAOYSA-N -1 0 313.766 2.253 20 10 DECDRM COC[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])Cc2ncn(C)c21 ZINC001139681821 796409910 /nfs/dbraw/zinc/40/99/10/796409910.db2.gz DRAZHWZIGQJJLK-JTQLQIEISA-N -1 0 323.343 2.150 20 10 DECDRM COC[C@H]1Cn2ccnc2CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140580799 796541022 /nfs/dbraw/zinc/54/10/22/796541022.db2.gz GJDNRPOAKMUCJH-LLVKDONJSA-N -1 0 323.343 2.145 20 10 DECDRM O=C(C1CCC1)N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583774 796541730 /nfs/dbraw/zinc/54/17/30/796541730.db2.gz RZGQLBWWJUXOHY-UHFFFAOYSA-N -1 0 310.344 2.115 20 10 DECDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1 ZINC001152573629 797206270 /nfs/dbraw/zinc/20/62/70/797206270.db2.gz MYOFIWULFGXNQA-UHFFFAOYSA-N -1 0 300.270 2.162 20 10 DECDRM C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1O ZINC001198797189 798399263 /nfs/dbraw/zinc/39/92/63/798399263.db2.gz DXLFLCARMSCOGT-SNVBAGLBSA-N -1 0 321.354 2.130 20 10 DECDRM CC(C)(C)OC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231568185 801687968 /nfs/dbraw/zinc/68/79/68/801687968.db2.gz IKTWIJDRGFWBTA-UHFFFAOYSA-N -1 0 322.361 2.101 20 10 DECDRM O=C1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031772 802008918 /nfs/dbraw/zinc/00/89/18/802008918.db2.gz LUCZTMFOVJAOLR-UHFFFAOYSA-N -1 0 302.143 2.459 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@H](C)C(C)C)c1[O-] ZINC001227620695 803262068 /nfs/dbraw/zinc/26/20/68/803262068.db2.gz QBWFPEQYUJIYAI-SSDOTTSWSA-N -1 0 302.348 2.450 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001590345424 950900194 /nfs/dbraw/zinc/90/01/94/950900194.db2.gz BWJOBUIIKKLWBR-LBPRGKRZSA-N -1 0 314.378 2.241 20 10 DECDRM COC(=O)CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000096561705 958337415 /nfs/dbraw/zinc/33/74/15/958337415.db2.gz AIJNVSLCQQIDSJ-UHFFFAOYSA-N -1 0 311.359 2.217 20 10 DECDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001594228232 959452969 /nfs/dbraw/zinc/45/29/69/959452969.db2.gz RSSMUVDMNXWYBZ-ACJLOTCBSA-N -1 0 316.401 2.404 20 10 DECDRM Cc1c2ccccc2n(C)c1CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001594261511 959697894 /nfs/dbraw/zinc/69/78/94/959697894.db2.gz DDQAUQQKQHCDMX-MRXNPFEDSA-N -1 0 312.373 2.136 20 10 DECDRM C[C@]1(CO)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001261502262 960734249 /nfs/dbraw/zinc/73/42/49/960734249.db2.gz FFAJDRZWTUTOJY-NBUZRDOWSA-N -1 0 320.345 2.291 20 10 DECDRM Cc1cc(C(=O)N[C@@H](CF)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000262833656 961899963 /nfs/dbraw/zinc/89/99/63/961899963.db2.gz BLYBOYIEAVXNJH-AWEZNQCLSA-N -1 0 322.311 2.386 20 10 DECDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000317676003 970377985 /nfs/dbraw/zinc/37/79/85/970377985.db2.gz LIBNDMHHZUCUIT-ZDUSSCGKSA-N -1 0 304.390 2.161 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC000715762392 977781350 /nfs/dbraw/zinc/78/13/50/977781350.db2.gz KDHMWRFDWRZNHR-JTQLQIEISA-N -1 0 318.142 2.247 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1ccc(C(N)=O)cc1F ZINC001597772246 989236091 /nfs/dbraw/zinc/23/60/91/989236091.db2.gz UWXQVMUWTWRDEW-UHFFFAOYSA-N -1 0 307.277 2.357 20 10 DECDRM CCn1cncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001597922665 989852507 /nfs/dbraw/zinc/85/25/07/989852507.db2.gz BENAAPDNRUTPLO-UHFFFAOYSA-N -1 0 323.780 2.349 20 10 DECDRM CN(Cc1ccco1)C(=O)CSc1ncc(C(=O)[O-])s1 ZINC001598532171 992795381 /nfs/dbraw/zinc/79/53/81/992795381.db2.gz UJBPKOVPZZWWKO-UHFFFAOYSA-N -1 0 312.372 2.185 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)NCC(F)(F)F ZINC001593679986 996104917 /nfs/dbraw/zinc/10/49/17/996104917.db2.gz SEWOWQOSGSVKLK-BYPYZUCNSA-N -1 0 314.310 2.000 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)N1CCCCC1 ZINC001593678975 996096970 /nfs/dbraw/zinc/09/69/70/996096970.db2.gz CNLKZIYCVWUWHP-MRVPVSSYSA-N -1 0 300.405 2.334 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)s1 ZINC001602343865 1069612493 /nfs/dbraw/zinc/61/24/93/1069612493.db2.gz VKOVUJTZRLIXJL-UHFFFAOYSA-N -1 0 318.354 2.377 20 10 DECDRM O=C([O-])c1ccc(F)c(COC(=O)c2cccc(O)c2O)c1 ZINC001602362536 1069619112 /nfs/dbraw/zinc/61/91/12/1069619112.db2.gz JSSGWOVJKNHLRQ-UHFFFAOYSA-N -1 0 306.245 2.292 20 10 DECDRM O=C([O-])c1ccccc1OCCOC(=O)C1=CC(=O)CS1 ZINC001602613950 1069700942 /nfs/dbraw/zinc/70/09/42/1069700942.db2.gz JNYKFDLZTYZGIS-UHFFFAOYSA-N -1 0 308.311 2.388 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)[O-])on2)cc1 ZINC001605435935 1070709895 /nfs/dbraw/zinc/70/98/95/1070709895.db2.gz VRDHUTKAWUXAIE-UHFFFAOYSA-N -1 0 317.345 2.149 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001605435785 1070711272 /nfs/dbraw/zinc/71/12/72/1070711272.db2.gz OXVIUCZZBJITJM-UHFFFAOYSA-N -1 0 315.373 2.489 20 10 DECDRM Cc1ccc2c(c1C(=O)[O-])N(C(=O)/C=C/c1cnccn1)CCC2 ZINC001607829705 1071571491 /nfs/dbraw/zinc/57/14/91/1071571491.db2.gz ZVPSSYCELDRNQH-VOTSOKGWSA-N -1 0 323.352 2.476 20 10 DECDRM COc1cccc(CNC(=O)c2s[n-]c(=O)c2Cl)c1O ZINC001465993610 1059402648 /nfs/dbraw/zinc/40/26/48/1059402648.db2.gz URHBODBBWZTNRE-UHFFFAOYSA-N -1 0 314.750 2.146 20 10 DECDRM O=C(NCc1ccc(N2CCCCC2)cc1)c1c[n-]ncc1=O ZINC001627210561 1078272261 /nfs/dbraw/zinc/27/22/61/1078272261.db2.gz UVJJOOYFVAWQBJ-UHFFFAOYSA-N -1 0 312.373 2.103 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1ccnc(-c2nn[nH]n2)c1 ZINC001578176101 1067005094 /nfs/dbraw/zinc/00/50/94/1067005094.db2.gz ASHMRBSUWAAZMY-UHFFFAOYSA-N -1 0 323.404 2.354 20 10 DECDRM O=C(NCCc1ccc(O)c(O)c1)c1cc(F)cc(F)c1[O-] ZINC001636022585 1078465334 /nfs/dbraw/zinc/46/53/34/1078465334.db2.gz MBSORHVBTAOOPT-UHFFFAOYSA-N -1 0 309.268 2.054 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2c(F)cccc2F)c1 ZINC001620790618 1067436324 /nfs/dbraw/zinc/43/63/24/1067436324.db2.gz LJLDNZVIWINDMB-CYBMUJFWSA-N -1 0 324.283 2.402 20 10 DECDRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 ZINC000085201021 1079111393 /nfs/dbraw/zinc/11/13/93/1079111393.db2.gz MCSHQRVLISYNEC-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM Oc1ccccc1CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001593540008 1077019649 /nfs/dbraw/zinc/01/96/49/1077019649.db2.gz MBAKFCDQFPIGRI-UHFFFAOYSA-N -1 0 308.754 2.294 20 10 DECDRM Cc1c(NCc2ccc(N3CCCC3)cc2)cnn1CC(=O)[O-] ZINC001600051996 1077130516 /nfs/dbraw/zinc/13/05/16/1077130516.db2.gz ZHWBYFDBYAFIBZ-UHFFFAOYSA-N -1 0 314.389 2.488 20 10 DECDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc(O)ccc2O)n1 ZINC001600105187 1077137564 /nfs/dbraw/zinc/13/75/64/1077137564.db2.gz BPHJVWKQCFSTAC-UHFFFAOYSA-N -1 0 319.273 2.020 20 10 DECDRM Cc1ccc(O)c(CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001600465042 1077206806 /nfs/dbraw/zinc/20/68/06/1077206806.db2.gz ONUYJGIUMVLETG-YPMHNXCESA-N -1 0 306.362 2.143 20 10 DECDRM C[C@@H](CC(=O)[O-])CC(=O)NCCCSc1nccs1 ZINC001609733280 1077912402 /nfs/dbraw/zinc/91/24/02/1077912402.db2.gz JCONVZUXGCHKMF-SECBINFHSA-N -1 0 302.421 2.242 20 10 DECDRM CN(CC(=O)NCc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001659488151 1080240884 /nfs/dbraw/zinc/24/08/84/1080240884.db2.gz JRJXKHDBPISHDW-UHFFFAOYSA-N -1 0 320.339 2.419 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC2(CC(O)C2)C1 ZINC001235057766 1084291834 /nfs/dbraw/zinc/29/18/34/1084291834.db2.gz SMXBLSHBXAAZSK-UHFFFAOYSA-N -1 0 316.170 2.251 20 10 DECDRM COc1ccc(CN2CCN(C(C)C)C(=O)C2)c([O-])c1Cl ZINC001236808252 1138435816 /nfs/dbraw/zinc/43/58/16/1138435816.db2.gz WDRSNZOSCSGDBG-UHFFFAOYSA-N -1 0 312.797 2.107 20 10 DECDRM Cn1cc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cn1 ZINC001259826215 1144139680 /nfs/dbraw/zinc/13/96/80/1144139680.db2.gz AMEHFJIFRAOQSF-UHFFFAOYSA-N -1 0 303.343 2.080 20 10 DECDRM O=S(=O)([N-]c1ccc2ncoc2c1)c1cccc2nonc21 ZINC001260435016 1144186934 /nfs/dbraw/zinc/18/69/34/1144186934.db2.gz NAACHFOTISTNEP-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM CCCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC001262164623 1144297112 /nfs/dbraw/zinc/29/71/12/1144297112.db2.gz OZYNNCMZMOHZOY-ZDUSSCGKSA-N -1 0 309.362 2.049 20 10 DECDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000277662426 403242766 /nfs/dbraw/zinc/24/27/66/403242766.db2.gz NCWPNHWBLBWYPL-UHFFFAOYSA-N -1 0 311.363 2.012 20 10 DECDRM CCOC(=O)[C@@H](F)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000294076413 403641760 /nfs/dbraw/zinc/64/17/60/403641760.db2.gz YSVWDCVRNWAVAC-LBPRGKRZSA-N -1 0 301.745 2.379 20 10 DECDRM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295229516 403804654 /nfs/dbraw/zinc/80/46/54/403804654.db2.gz CRBWCGDAQRPIOR-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM Cc1cc(COC(=O)c2ccc(C)c(O)c2O)oc1C(=O)[O-] ZINC000738393946 599998840 /nfs/dbraw/zinc/99/88/40/599998840.db2.gz BBULHXRWLOXMCO-UHFFFAOYSA-N -1 0 306.270 2.363 20 10 DECDRM Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)no1 ZINC000738382526 600315085 /nfs/dbraw/zinc/31/50/85/600315085.db2.gz JNJXYJAIFNXCIR-UHFFFAOYSA-N -1 0 310.737 2.429 20 10 DECDRM Cc1[nH]c(C(=O)COC(=O)C2=CC(=O)CS2)c(C)c1C(=O)[O-] ZINC000738153927 600368562 /nfs/dbraw/zinc/36/85/62/600368562.db2.gz FCZGTIIYXKSTPZ-UHFFFAOYSA-N -1 0 323.326 2.137 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000737204803 600623033 /nfs/dbraw/zinc/62/30/33/600623033.db2.gz XQMREPCLMOCZSH-WBMJQRKESA-N -1 0 322.405 2.137 20 10 DECDRM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000833179222 600723426 /nfs/dbraw/zinc/72/34/26/600723426.db2.gz NUFOZMQOXOVHAS-KGLIPLIRSA-N -1 0 315.325 2.235 20 10 DECDRM CN(C)c1ccc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000830639301 601526134 /nfs/dbraw/zinc/52/61/34/601526134.db2.gz BHTRZLZVMQDDMG-UHFFFAOYSA-N -1 0 316.361 2.111 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)c2ccoc2)NC(=O)[O-])cc1 ZINC000828063764 603028966 /nfs/dbraw/zinc/02/89/66/603028966.db2.gz IHNNKMKDQVQFIW-AWEZNQCLSA-N -1 0 317.345 2.084 20 10 DECDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NCc1ccccc1O)C2 ZINC000831308366 603868568 /nfs/dbraw/zinc/86/85/68/603868568.db2.gz QMOJTPVJUPYOQE-QXMXGUDHSA-N -1 0 318.373 2.320 20 10 DECDRM CC[C@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1C ZINC000833836908 605700652 /nfs/dbraw/zinc/70/06/52/605700652.db2.gz FTAZZCLGSMRNLR-QGZVFWFLSA-N -1 0 321.421 2.361 20 10 DECDRM CN(Cc1ccccc1O)C(=O)C1(NC(=O)[O-])CCCCC1 ZINC000828400395 605789932 /nfs/dbraw/zinc/78/99/32/605789932.db2.gz ZXJFWDMRIQIJFN-UHFFFAOYSA-N -1 0 306.362 2.321 20 10 DECDRM O=C([O-])Nc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000834266862 605835026 /nfs/dbraw/zinc/83/50/26/605835026.db2.gz KZKZPZBKOYOPCO-UHFFFAOYSA-N -1 0 300.314 2.341 20 10 DECDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc2c(c1)OCO2 ZINC000121430535 649979912 /nfs/dbraw/zinc/97/99/12/649979912.db2.gz XMWRRDGQUUTDNP-UHFFFAOYSA-N -1 0 315.354 2.350 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000923973593 636758430 /nfs/dbraw/zinc/75/84/30/636758430.db2.gz QSPYBRKSPLADHP-JRPNMDOOSA-N -1 0 308.353 2.288 20 10 DECDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000758168789 639922291 /nfs/dbraw/zinc/92/22/91/639922291.db2.gz GVAFRNZNRMSXHU-UHFFFAOYSA-N -1 0 302.352 2.405 20 10 DECDRM C[C@H](NC(=O)NC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC000929043001 640514666 /nfs/dbraw/zinc/51/46/66/640514666.db2.gz IFYPEDIICLTWFI-NSHDSACASA-N -1 0 305.378 2.120 20 10 DECDRM CC(=O)c1cn(C2CN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000897938052 640980337 /nfs/dbraw/zinc/98/03/37/640980337.db2.gz AKXAUHLUDSNMDR-UHFFFAOYSA-N -1 0 324.743 2.036 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC000775638537 642070720 /nfs/dbraw/zinc/07/07/20/642070720.db2.gz KFPHGDJKCVZLLJ-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2cnccn2)CC1 ZINC000775649065 642073498 /nfs/dbraw/zinc/07/34/98/642073498.db2.gz JSZMUVSIDKMNPE-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000776745232 642202895 /nfs/dbraw/zinc/20/28/95/642202895.db2.gz GNUGLMYZIMSQPJ-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000779542473 642510044 /nfs/dbraw/zinc/51/00/44/642510044.db2.gz QIHIOWOOFDNYSO-KXFIGUGUSA-N -1 0 316.269 2.364 20 10 DECDRM COC[C@@](C)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000789904389 643788099 /nfs/dbraw/zinc/78/80/99/643788099.db2.gz VGPOFTAODBRFMH-GFCCVEGCSA-N -1 0 308.161 2.278 20 10 DECDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000799519854 645185653 /nfs/dbraw/zinc/18/56/53/645185653.db2.gz WZIXWUBBDLXDLZ-UHFFFAOYSA-N -1 0 321.354 2.370 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000910386947 645436053 /nfs/dbraw/zinc/43/60/53/645436053.db2.gz VKXJULRSELSGRX-GRYLXXLRSA-N -1 0 318.329 2.308 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000911119482 645636012 /nfs/dbraw/zinc/63/60/12/645636012.db2.gz VXWYQIDYBXBKHG-UHFFFAOYSA-N -1 0 316.357 2.245 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1=COCCO1 ZINC000807836322 645995511 /nfs/dbraw/zinc/99/55/11/645995511.db2.gz UTHWSZFURXDLIB-UHFFFAOYSA-N -1 0 304.129 2.203 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CNc1nccn2nnnc12 ZINC000808088566 646029725 /nfs/dbraw/zinc/02/97/25/646029725.db2.gz JCGMWFUIBCSTMM-UHFFFAOYSA-N -1 0 311.132 2.144 20 10 DECDRM O=C1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000809710923 646266700 /nfs/dbraw/zinc/26/67/00/646266700.db2.gz CYRKDPFOVFJZAD-UHFFFAOYSA-N -1 0 322.714 2.252 20 10 DECDRM Cn1nncc1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000809902510 646296193 /nfs/dbraw/zinc/29/61/93/646296193.db2.gz DQODKRVJGTVTRZ-UHFFFAOYSA-N -1 0 316.148 2.149 20 10 DECDRM C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816510722 647144376 /nfs/dbraw/zinc/14/43/76/647144376.db2.gz DWCKENQTHBWYGY-MRVPVSSYSA-N -1 0 309.790 2.050 20 10 DECDRM CS(=O)(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816514665 647145513 /nfs/dbraw/zinc/14/55/13/647145513.db2.gz FBHHHWVYUYCZEY-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000324233608 647311709 /nfs/dbraw/zinc/31/17/09/647311709.db2.gz FLLROCRXNUDFLG-ZJUUUORDSA-N -1 0 324.333 2.159 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCS(=O)(=O)C1 ZINC000763672396 647455501 /nfs/dbraw/zinc/45/55/01/647455501.db2.gz OYPRTEGNIYTWBT-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)ccc1O ZINC000821192598 648006302 /nfs/dbraw/zinc/00/63/02/648006302.db2.gz VSLYRVAFODSALJ-UHFFFAOYSA-N -1 0 321.280 2.243 20 10 DECDRM CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826952478 648952419 /nfs/dbraw/zinc/95/24/19/648952419.db2.gz MMSOFOQCZCGAAF-CQSZACIVSA-N -1 0 303.761 2.158 20 10 DECDRM C[C@@H](Nc1nc(C(=O)[O-])co1)c1ccc(N2CCOCC2)cc1 ZINC000844208927 651092394 /nfs/dbraw/zinc/09/23/94/651092394.db2.gz VXNYYQYYVITUNE-LLVKDONJSA-N -1 0 317.345 2.383 20 10 DECDRM CN(CC1(O)CCCC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210002 651092846 /nfs/dbraw/zinc/09/28/46/651092846.db2.gz NHGZEUOTNOIBPK-ALCCZGGFSA-N -1 0 320.345 2.434 20 10 DECDRM CC(C)[C@H](C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000844243432 651098108 /nfs/dbraw/zinc/09/81/08/651098108.db2.gz WVDZJGYYYWHDRT-VIFPVBQESA-N -1 0 302.421 2.098 20 10 DECDRM [O-]c1c(Cl)cccc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000848923169 651563301 /nfs/dbraw/zinc/56/33/01/651563301.db2.gz AHRMULSMFDMDDH-LLVKDONJSA-N -1 0 308.769 2.305 20 10 DECDRM CC(C)(C)CCS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1 ZINC000857225335 652082518 /nfs/dbraw/zinc/08/25/18/652082518.db2.gz JXVACWLYQFSXFB-UHFFFAOYSA-N -1 0 314.436 2.374 20 10 DECDRM COc1ccc(N2CC[C@@H](Nc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000852907429 652478637 /nfs/dbraw/zinc/47/86/37/652478637.db2.gz BSOCVFRHERZSEA-GFCCVEGCSA-N -1 0 313.357 2.479 20 10 DECDRM C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000861449817 686127653 /nfs/dbraw/zinc/12/76/53/686127653.db2.gz YQGSDMUHBGYGFM-WFASDCNBSA-N -1 0 319.405 2.005 20 10 DECDRM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)ns1 ZINC000872375568 688990196 /nfs/dbraw/zinc/99/01/96/688990196.db2.gz KHSLBLKGBXUNJO-UHFFFAOYSA-N -1 0 314.388 2.104 20 10 DECDRM CCCC(C)(C)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872918342 689119130 /nfs/dbraw/zinc/11/91/30/689119130.db2.gz NPRPXTVJQVXBKT-UHFFFAOYSA-N -1 0 322.405 2.281 20 10 DECDRM Cc1ccnc(NC(=O)CN(C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876660076 689893348 /nfs/dbraw/zinc/89/33/48/689893348.db2.gz MZAMROOLKDVLJH-UHFFFAOYSA-N -1 0 321.327 2.444 20 10 DECDRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000877464206 690120541 /nfs/dbraw/zinc/12/05/41/690120541.db2.gz HYLCBXLJOOOZJB-PXWWUCIGSA-N -1 0 311.328 2.444 20 10 DECDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)n1C ZINC000882799765 691363739 /nfs/dbraw/zinc/36/37/39/691363739.db2.gz NUMMGXZDFRHQDC-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC000882800008 691363988 /nfs/dbraw/zinc/36/39/88/691363988.db2.gz XDSXBFSJXZVAGM-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM O=C([O-])c1cc(Cl)cnc1NCCc1cc(O)c(O)cc1O ZINC001168010464 779306070 /nfs/dbraw/zinc/30/60/70/779306070.db2.gz VUFOZZJJUSSKLL-UHFFFAOYSA-N -1 0 324.720 2.205 20 10 DECDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccsc2)ccc1O ZINC001185383845 796245950 /nfs/dbraw/zinc/24/59/50/796245950.db2.gz JCJNYZASAMLPEX-UHFFFAOYSA-N -1 0 313.356 2.041 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC([NH+]2CCCC2)C1 ZINC001139129294 796329470 /nfs/dbraw/zinc/32/94/70/796329470.db2.gz VAFGSLBJCFLSDO-UHFFFAOYSA-N -1 0 314.385 2.087 20 10 DECDRM Cc1cc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)ncn1 ZINC001139688085 796410063 /nfs/dbraw/zinc/41/00/63/796410063.db2.gz YTYPFFIARLPUBT-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=C1CC(Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C1 ZINC001229191950 801240296 /nfs/dbraw/zinc/24/02/96/801240296.db2.gz HAYLBFKNQQXXJC-UHFFFAOYSA-N -1 0 308.289 2.278 20 10 DECDRM C[C@@H](Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CC=C[CH]1 ZINC001231275201 801623310 /nfs/dbraw/zinc/62/33/10/801623310.db2.gz XTBIHAPFXBPZHY-CQSZACIVSA-N -1 0 318.418 2.389 20 10 DECDRM Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC001231913536 801750001 /nfs/dbraw/zinc/75/00/01/801750001.db2.gz LVVMPYLNCZKLRR-UHFFFAOYSA-N -1 0 318.808 2.466 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CC2(CCO2)C1 ZINC001233031992 802008281 /nfs/dbraw/zinc/00/82/81/802008281.db2.gz RTCLCFCEKJZSSK-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM CC[C@@H](O)C(=O)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938584 803297338 /nfs/dbraw/zinc/29/73/38/803297338.db2.gz WQDCCNWIBOYHFJ-GFCCVEGCSA-N -1 0 316.309 2.005 20 10 DECDRM O=C([O-])C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001601825072 971056982 /nfs/dbraw/zinc/05/69/82/971056982.db2.gz WYVZNURGIOIVBK-UHFFFAOYSA-N -1 0 321.354 2.249 20 10 DECDRM O=C([O-])CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC001594980098 950980891 /nfs/dbraw/zinc/98/08/91/950980891.db2.gz ILDWXJHDUQABOH-UHFFFAOYSA-N -1 0 321.354 2.440 20 10 DECDRM O=C([O-])C1(C(=O)NCCc2ccc(O)c(O)c2)CCCCCC1 ZINC001594862370 954284478 /nfs/dbraw/zinc/28/44/78/954284478.db2.gz VKVDBDBAXFJZHB-UHFFFAOYSA-N -1 0 321.373 2.182 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1O ZINC001594346112 958320842 /nfs/dbraw/zinc/32/08/42/958320842.db2.gz HLWWMVMVIBCTKE-ZMLRMANQSA-N -1 0 321.373 2.271 20 10 DECDRM COc1ccc(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)c(O)c1 ZINC001594094329 958387002 /nfs/dbraw/zinc/38/70/02/958387002.db2.gz GGSBDAIHBRUJLI-SNAWJCMRSA-N -1 0 317.297 2.022 20 10 DECDRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(N(C)C)cc1 ZINC001573611457 959484050 /nfs/dbraw/zinc/48/40/50/959484050.db2.gz UBBFLMLRLJNQSO-APPDUMDISA-N -1 0 304.390 2.431 20 10 DECDRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001588652571 959779350 /nfs/dbraw/zinc/77/93/50/959779350.db2.gz KICCEKSAANHJAJ-FNORWQNLSA-N -1 0 307.346 2.070 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573997594 961853165 /nfs/dbraw/zinc/85/31/65/961853165.db2.gz XGFOHYFQLVHRHD-AWEZNQCLSA-N -1 0 320.389 2.225 20 10 DECDRM O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC001606190619 973442035 /nfs/dbraw/zinc/44/20/35/973442035.db2.gz OYMOSHKDXCFKMO-UHFFFAOYSA-N -1 0 315.316 2.126 20 10 DECDRM Cc1[nH]ccc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599966841 985921900 /nfs/dbraw/zinc/92/19/00/985921900.db2.gz JKWKDOVCEHTCAG-UHFFFAOYSA-N -1 0 322.748 2.409 20 10 DECDRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1O ZINC001599839428 988799702 /nfs/dbraw/zinc/79/97/02/988799702.db2.gz DUIOLQXAEZTQJQ-LLVKDONJSA-N -1 0 306.362 2.397 20 10 DECDRM CCn1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)c(C)n1 ZINC001597887322 989731845 /nfs/dbraw/zinc/73/18/45/989731845.db2.gz IEFDUDLQGFNPEO-UHFFFAOYSA-N -1 0 303.362 2.311 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001598320380 991315366 /nfs/dbraw/zinc/31/53/66/991315366.db2.gz AYZKGTPKNGHBLB-UHFFFAOYSA-N -1 0 304.371 2.442 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1nc(C(=O)[O-])cs1 ZINC001598333431 991373448 /nfs/dbraw/zinc/37/34/48/991373448.db2.gz DQTNHDRDAWTQTL-UHFFFAOYSA-N -1 0 319.386 2.306 20 10 DECDRM CC(C)CCNC(=O)[C@@H](C)Sc1ncc(C(=O)[O-])s1 ZINC001591246239 992141612 /nfs/dbraw/zinc/14/16/12/992141612.db2.gz NPQNIIBRBZGWRD-MRVPVSSYSA-N -1 0 302.421 2.484 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598530573 992774509 /nfs/dbraw/zinc/77/45/09/992774509.db2.gz LYOTYXCCCYNXPO-UHFFFAOYSA-N -1 0 301.302 2.149 20 10 DECDRM COc1cc(N(C)CC2(CC(=O)[O-])CC2)cc(OC)c1OC ZINC001599428704 997721363 /nfs/dbraw/zinc/72/13/63/997721363.db2.gz ZRSSLEQXYVQOFD-UHFFFAOYSA-N -1 0 309.362 2.404 20 10 DECDRM CC(C)N1CCC[C@H](Sc2ncc(C(=O)[O-])s2)C1=O ZINC001603893276 1070139468 /nfs/dbraw/zinc/13/94/68/1070139468.db2.gz ILCGNBSLMPRWOB-QMMMGPOBSA-N -1 0 300.405 2.333 20 10 DECDRM COCCC1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606865124 1071230613 /nfs/dbraw/zinc/23/06/13/1071230613.db2.gz UFTYFNLCSPDDHM-HWKANZROSA-N -1 0 306.318 2.165 20 10 DECDRM C[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1O ZINC001607457238 1071448312 /nfs/dbraw/zinc/44/83/12/1071448312.db2.gz UUKXOCASDPQIFS-QMMMGPOBSA-N -1 0 321.358 2.359 20 10 DECDRM CC[N@H+](CCC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001605443244 1071899679 /nfs/dbraw/zinc/89/96/79/1071899679.db2.gz ZCRKLTCCICLBMY-UHFFFAOYSA-N -1 0 302.714 2.250 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001539050506 1072361350 /nfs/dbraw/zinc/36/13/50/1072361350.db2.gz UYNQRCPKZLGICM-UHFFFAOYSA-N -1 0 311.794 2.498 20 10 DECDRM O=C([O-])c1cnc(Sc2ncnc3c2ncn3C2CC2)s1 ZINC001610863427 1078088002 /nfs/dbraw/zinc/08/80/02/1078088002.db2.gz ZERWZKWNWDECQA-UHFFFAOYSA-N -1 0 319.371 2.467 20 10 DECDRM COC(=O)c1ccoc1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001599004053 1077115576 /nfs/dbraw/zinc/11/55/76/1077115576.db2.gz CAEIDRQGWOGOAE-UHFFFAOYSA-N -1 0 319.313 2.409 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)/C=C\C(=O)[O-])c(C)n1-c1ccccn1 ZINC001600087230 1077134572 /nfs/dbraw/zinc/13/45/72/1077134572.db2.gz BKPCYZXDNCVMNR-SKVAFPRGSA-N -1 0 313.357 2.248 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(C(=O)[O-])c1 ZINC001600236299 1077167232 /nfs/dbraw/zinc/16/72/32/1077167232.db2.gz RLRFNUKHKSJGCH-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM Cc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(O)c1O ZINC001600339169 1077183177 /nfs/dbraw/zinc/18/31/77/1077183177.db2.gz RVIBTLDZQUQBGC-LBPRGKRZSA-N -1 0 321.373 2.417 20 10 DECDRM O=C([O-])c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1O ZINC001601239033 1077363889 /nfs/dbraw/zinc/36/38/89/1077363889.db2.gz RJHRYJHSHGMPKW-ALCCZGGFSA-N -1 0 315.281 2.154 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881970 1077469998 /nfs/dbraw/zinc/46/99/98/1077469998.db2.gz WIIOGTPYRUWYRZ-RNZFLTOJSA-N -1 0 306.318 2.044 20 10 DECDRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC001601900195 1077473088 /nfs/dbraw/zinc/47/30/88/1077473088.db2.gz VBTBLRDWWUMJLA-WOLRVDTOSA-N -1 0 319.357 2.261 20 10 DECDRM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)C2=CC(=O)CS2)C1 ZINC001602217411 1077528109 /nfs/dbraw/zinc/52/81/09/1077528109.db2.gz GIJWYHVQJZDIFV-NKWVEPMBSA-N -1 0 323.292 2.179 20 10 DECDRM Cc1noc(CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001608027863 1077580718 /nfs/dbraw/zinc/58/07/18/1077580718.db2.gz LAHSSASTCBLZLG-GQCTYLIASA-N -1 0 318.289 2.020 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001608237854 1077614602 /nfs/dbraw/zinc/61/46/02/1077614602.db2.gz HFGJIRDQVUOGGN-NSHDSACASA-N -1 0 318.333 2.080 20 10 DECDRM O=C([O-])[C@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@H]1c1ccccc1 ZINC001608564923 1077656742 /nfs/dbraw/zinc/65/67/42/1077656742.db2.gz GUVDTWUXLNZFMB-HNAYVOBHSA-N -1 0 323.348 2.493 20 10 DECDRM CCc1nn(C)c(Sc2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001610073752 1077975967 /nfs/dbraw/zinc/97/59/67/1077975967.db2.gz IJOPCXPLWXCJSK-UHFFFAOYSA-N -1 0 314.348 2.197 20 10 DECDRM O=C1NCCc2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC001662845474 1080666596 /nfs/dbraw/zinc/66/65/96/1080666596.db2.gz BNVYBPSYVKTAPA-UHFFFAOYSA-N -1 0 313.313 2.198 20 10 DECDRM CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])[n-]1 ZINC001665101829 1080990553 /nfs/dbraw/zinc/99/05/53/1080990553.db2.gz KQKCPAQMVLJGKU-MRVPVSSYSA-N -1 0 324.768 2.191 20 10 DECDRM COc1ccc(OC)c(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1 ZINC001212565540 1086557078 /nfs/dbraw/zinc/55/70/78/1086557078.db2.gz WZMRPQVZPJSKAA-UHFFFAOYSA-N -1 0 315.285 2.227 20 10 DECDRM OC[C@@H]1C[C@H]2OCCN(Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237934577 1138811174 /nfs/dbraw/zinc/81/11/74/1138811174.db2.gz LAFHEATVZDNPIH-DYQSUWPFSA-N -1 0 315.772 2.156 20 10 DECDRM O=C([O-])c1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001241803495 1139854682 /nfs/dbraw/zinc/85/46/82/1139854682.db2.gz SICGZBKCMLTJLR-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM O=C([O-])c1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cnc1F ZINC001244754937 1140439272 /nfs/dbraw/zinc/43/92/72/1140439272.db2.gz OVBVYLXCIOEOSR-UHFFFAOYSA-N -1 0 316.210 2.310 20 10 DECDRM CCOCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251384177 1142425786 /nfs/dbraw/zinc/42/57/86/1142425786.db2.gz PVQYRXSEFWRTCT-UHFFFAOYSA-N -1 0 314.190 2.014 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(Br)c1)C(F)F ZINC001259956643 1144163711 /nfs/dbraw/zinc/16/37/11/1144163711.db2.gz QUHXFDKYICWVOT-UHFFFAOYSA-N -1 0 302.096 2.119 20 10 DECDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3nonc32)c1O ZINC001260440938 1144187082 /nfs/dbraw/zinc/18/70/82/1144187082.db2.gz AHUOEUFMCMUUQU-UHFFFAOYSA-N -1 0 323.305 2.177 20 10 DECDRM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441276 1144187281 /nfs/dbraw/zinc/18/72/81/1144187281.db2.gz ZNRIGHJEEOZWHQ-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC000387466001 1144510711 /nfs/dbraw/zinc/51/07/11/1144510711.db2.gz DEHKRSDHZOAPMR-UHFFFAOYSA-N -1 0 321.402 2.144 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000274132611 130209653 /nfs/dbraw/zinc/20/96/53/130209653.db2.gz PMDQZFFIRFZLQQ-LLVKDONJSA-N -1 0 303.811 2.055 20 10 DECDRM O=S(=O)(C[C@@H]1CCCO1)Nc1cc(Cl)c([O-])cc1F ZINC000288223784 131316830 /nfs/dbraw/zinc/31/68/30/131316830.db2.gz MVZACZWXUXTEAE-ZETCQYMHSA-N -1 0 309.746 2.105 20 10 DECDRM C[C@H]1CCS(=O)(=O)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000365439321 404659837 /nfs/dbraw/zinc/65/98/37/404659837.db2.gz RFHXHSCQRGVKQL-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM CS(=O)(=O)C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000366493234 404802586 /nfs/dbraw/zinc/80/25/86/404802586.db2.gz XQRKXFFCBFTODZ-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM COCCc1noc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000180376706 522038543 /nfs/dbraw/zinc/03/85/43/522038543.db2.gz MUWBNBRIEIOQPU-UHFFFAOYSA-N -1 0 311.769 2.250 20 10 DECDRM COCCc1ccnc(NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000285190704 536831058 /nfs/dbraw/zinc/83/10/58/536831058.db2.gz NOUORRSMOPPWCX-UHFFFAOYSA-N -1 0 303.318 2.496 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820607694 598191507 /nfs/dbraw/zinc/19/15/07/598191507.db2.gz QAMVDDFGKGAEHA-UHFFFAOYSA-N -1 0 314.341 2.432 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736471678 600068450 /nfs/dbraw/zinc/06/84/50/600068450.db2.gz LPPMAJARMXHEQD-GJZGRUSLSA-N -1 0 304.390 2.210 20 10 DECDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739548050 600116300 /nfs/dbraw/zinc/11/63/00/600116300.db2.gz PDUKGXZPAASAQD-HUUCEWRRSA-N -1 0 302.374 2.014 20 10 DECDRM CN(CCn1cccn1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737454563 600240754 /nfs/dbraw/zinc/24/07/54/600240754.db2.gz UUKQQZIDKKQZRO-GQCTYLIASA-N -1 0 316.317 2.026 20 10 DECDRM COC[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316101102 600559725 /nfs/dbraw/zinc/55/97/25/600559725.db2.gz IBKWUTOSAOQLSN-PYEVWLCESA-N -1 0 306.318 2.165 20 10 DECDRM CC[C@@H]1COCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000314216191 600626161 /nfs/dbraw/zinc/62/61/61/600626161.db2.gz AQYGVBLZLFJNJF-TXNVCOODSA-N -1 0 306.318 2.308 20 10 DECDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C/c2cncc(F)c2)n1 ZINC000738719832 601014820 /nfs/dbraw/zinc/01/48/20/601014820.db2.gz KNSWTXQZROVUCJ-AATRIKPKSA-N -1 0 315.304 2.055 20 10 DECDRM CC(C)[C@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824065420 603028353 /nfs/dbraw/zinc/02/83/53/603028353.db2.gz VSMBOTVSZFMUBW-SWLSCSKDSA-N -1 0 321.421 2.470 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000828354992 603258322 /nfs/dbraw/zinc/25/83/22/603258322.db2.gz HRERLPUPJYQHET-UHFFFAOYSA-N -1 0 319.405 2.101 20 10 DECDRM CN(C)c1ccc(CNC(=O)CC2(NC(=O)[O-])CCC2)cc1F ZINC000828068924 604130007 /nfs/dbraw/zinc/13/00/07/604130007.db2.gz WRULJFGZKQXOIM-UHFFFAOYSA-N -1 0 323.368 2.088 20 10 DECDRM O=C([O-])N[C@@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000834126129 605624289 /nfs/dbraw/zinc/62/42/89/605624289.db2.gz HXRAYBOQUMGJAJ-AWEZNQCLSA-N -1 0 314.341 2.407 20 10 DECDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000085204604 634200945 /nfs/dbraw/zinc/20/09/45/634200945.db2.gz XRNRAIHTFNRYNP-UHFFFAOYSA-N -1 0 301.755 2.186 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@](F)(CO)C1 ZINC000894686557 637163580 /nfs/dbraw/zinc/16/35/80/637163580.db2.gz RVXYVFRBOYZKHA-GFCCVEGCSA-N -1 0 322.149 2.200 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000738104146 637391258 /nfs/dbraw/zinc/39/12/58/637391258.db2.gz BZCZARTVUOPXNF-JTQLQIEISA-N -1 0 322.361 2.016 20 10 DECDRM C[C@@]1(C(=O)[O-])CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000756386674 639657426 /nfs/dbraw/zinc/65/74/26/639657426.db2.gz IOASBRLMUWZPJD-UKRRQHHQSA-N -1 0 308.334 2.424 20 10 DECDRM O=[N+]([O-])c1cc(NS(=O)(=O)CCc2ccccc2)ccc1[O-] ZINC000775286529 642024562 /nfs/dbraw/zinc/02/45/62/642024562.db2.gz VQONBRRQQWRYSO-UHFFFAOYSA-N -1 0 322.342 2.285 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000843039657 650873847 /nfs/dbraw/zinc/87/38/47/650873847.db2.gz DKGMCBSWKYIPQF-UHFFFAOYSA-N -1 0 317.744 2.156 20 10 DECDRM CN(C)c1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000911119352 645636154 /nfs/dbraw/zinc/63/61/54/645636154.db2.gz HMRSUSZGWBJPNM-UHFFFAOYSA-N -1 0 316.401 2.404 20 10 DECDRM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484385 645720153 /nfs/dbraw/zinc/72/01/53/645720153.db2.gz NDWNMNBMOXONMO-CXAGYDPISA-N -1 0 305.374 2.488 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCC1CCOCC1 ZINC000911484396 645720487 /nfs/dbraw/zinc/72/04/87/645720487.db2.gz BNEXATGWYGPWQC-UHFFFAOYSA-N -1 0 321.373 2.012 20 10 DECDRM CC1(C)CS(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000813331646 646757999 /nfs/dbraw/zinc/75/79/99/646757999.db2.gz PFLSPMZCBSRLCM-UHFFFAOYSA-N -1 0 303.811 2.055 20 10 DECDRM Cc1noc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000813684492 646799510 /nfs/dbraw/zinc/79/95/10/646799510.db2.gz JQCCLQHVOQZDAV-UHFFFAOYSA-N -1 0 302.117 2.320 20 10 DECDRM CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)OC ZINC000817355989 647274464 /nfs/dbraw/zinc/27/44/64/647274464.db2.gz ANTVDVYCAOKWAF-LBPRGKRZSA-N -1 0 317.407 2.346 20 10 DECDRM CCCn1cccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000918184845 648063038 /nfs/dbraw/zinc/06/30/38/648063038.db2.gz SYFKQEJDICMBEU-YFHOEESVSA-N -1 0 310.400 2.184 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCn3ccnc32)c1[O-] ZINC000824521969 648601348 /nfs/dbraw/zinc/60/13/48/648601348.db2.gz PPULKGSEXSFFPJ-JTQLQIEISA-N -1 0 308.725 2.385 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H](O)C1CCC1 ZINC000832713565 649738225 /nfs/dbraw/zinc/73/82/25/649738225.db2.gz OQPTVTTZSUPLET-GFCCVEGCSA-N -1 0 304.173 2.476 20 10 DECDRM C[C@@H]1C[C@@H](CO)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218167 651094827 /nfs/dbraw/zinc/09/48/27/651094827.db2.gz NMWNJTAOSNJVFS-VWRYTFAISA-N -1 0 320.345 2.147 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000848576909 651473455 /nfs/dbraw/zinc/47/34/55/651473455.db2.gz YEISIHDNOFOKNQ-GFCCVEGCSA-N -1 0 307.394 2.053 20 10 DECDRM O=C([O-])C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000848640314 651481584 /nfs/dbraw/zinc/48/15/84/651481584.db2.gz PEKNWIVACREMKU-UHFFFAOYSA-N -1 0 314.725 2.393 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)cc1F ZINC000852950776 652483477 /nfs/dbraw/zinc/48/34/77/652483477.db2.gz LAVHQTWXWRRUOB-HNNXBMFYSA-N -1 0 322.380 2.399 20 10 DECDRM O=C([O-])c1cc(NS(=O)(=O)CCc2ccccc2)ccc1O ZINC000386558994 685418306 /nfs/dbraw/zinc/41/83/06/685418306.db2.gz NLOMIDYHAQHZII-UHFFFAOYSA-N -1 0 321.354 2.075 20 10 DECDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000387335501 685421695 /nfs/dbraw/zinc/42/16/95/685421695.db2.gz UKYAFKWRKRNGJM-UHFFFAOYSA-N -1 0 312.278 2.240 20 10 DECDRM C[C@H](NC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929046519 693886000 /nfs/dbraw/zinc/88/60/00/693886000.db2.gz WRZWBOAHVNQTHH-XHDPSFHLSA-N -1 0 319.405 2.366 20 10 DECDRM O=c1[nH]c2ccc(NCc3cc([N+](=O)[O-])ccc3[O-])cc2[nH]1 ZINC000863989727 686602742 /nfs/dbraw/zinc/60/27/42/686602742.db2.gz XZFBLBBAUWWUOM-UHFFFAOYSA-N -1 0 300.274 2.494 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C ZINC000871957664 688901427 /nfs/dbraw/zinc/90/14/27/688901427.db2.gz YKKDRQWPXGJJHF-ZCFIWIBFSA-N -1 0 300.236 2.006 20 10 DECDRM CC(C)OC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877404262 690103723 /nfs/dbraw/zinc/10/37/23/690103723.db2.gz ZWVWRUYLURMRPV-GFCCVEGCSA-N -1 0 301.333 2.296 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877480929 690126274 /nfs/dbraw/zinc/12/62/74/690126274.db2.gz NVEUPBCXZKXYJH-LLVKDONJSA-N -1 0 319.373 2.070 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)[S@@]1=O ZINC000877517320 690138385 /nfs/dbraw/zinc/13/83/85/690138385.db2.gz MVGFZKGHBURAEP-XAJVAHTNSA-N -1 0 303.374 2.402 20 10 DECDRM Cn1ncc2c1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000877633056 690173558 /nfs/dbraw/zinc/17/35/58/690173558.db2.gz XQDAUXQUNBVGGR-UHFFFAOYSA-N -1 0 308.725 2.203 20 10 DECDRM O=C([O-])C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001334406272 1150298380 /nfs/dbraw/zinc/29/83/80/1150298380.db2.gz AUDLBSBZMSMKBD-LLVKDONJSA-N -1 0 322.311 2.414 20 10 DECDRM CC(=O)Nc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC001178469304 794931807 /nfs/dbraw/zinc/93/18/07/794931807.db2.gz MQKQWQZSIDJEDP-UHFFFAOYSA-N -1 0 302.290 2.266 20 10 DECDRM COC(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001116752378 794983771 /nfs/dbraw/zinc/98/37/71/794983771.db2.gz FZOVXXKSAZDJHE-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM COC[C@H]1Cn2ccnc2CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682312 796410430 /nfs/dbraw/zinc/41/04/30/796410430.db2.gz WGNOEUUDVVNDLM-LLVKDONJSA-N -1 0 323.343 2.145 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190181888 796956929 /nfs/dbraw/zinc/95/69/29/796956929.db2.gz SDBZNGIXHABKAE-UHFFFAOYSA-N -1 0 300.286 2.175 20 10 DECDRM COc1cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)ccc1O ZINC001192031515 797307971 /nfs/dbraw/zinc/30/79/71/797307971.db2.gz APGBEXREXYUDLY-UHFFFAOYSA-N -1 0 320.581 2.470 20 10 DECDRM Cc1nnc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)ccn12 ZINC001193605185 797601657 /nfs/dbraw/zinc/60/16/57/797601657.db2.gz CNOBYGQWWHVSSY-UHFFFAOYSA-N -1 0 318.720 2.355 20 10 DECDRM O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1ccc(F)cc1F ZINC001202027378 798819017 /nfs/dbraw/zinc/81/90/17/798819017.db2.gz JOCBRBOOZVWUOU-UHFFFAOYSA-N -1 0 322.267 2.380 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589650422 949773828 /nfs/dbraw/zinc/77/38/28/949773828.db2.gz LEBUGOBPSZYFIK-UHFFFAOYSA-N -1 0 317.345 2.256 20 10 DECDRM O=C([O-])[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001595201048 952309959 /nfs/dbraw/zinc/30/99/59/952309959.db2.gz AIBNBXGSNSDYBR-MRVPVSSYSA-N -1 0 307.327 2.002 20 10 DECDRM CC[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC001263062482 957283725 /nfs/dbraw/zinc/28/37/25/957283725.db2.gz VHTDSOYXTUESOD-CQSZACIVSA-N -1 0 319.405 2.197 20 10 DECDRM CC(C)C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(=O)[O-] ZINC001573531182 959162856 /nfs/dbraw/zinc/16/28/56/959162856.db2.gz FRPQIIDTHGXCHC-AGLBCWCQSA-N -1 0 321.373 2.364 20 10 DECDRM O=C([O-])c1ccccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001574514189 961836374 /nfs/dbraw/zinc/83/63/74/961836374.db2.gz WFIUTFROZSMSSF-VURMDHGXSA-N -1 0 313.309 2.126 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001335016646 961886332 /nfs/dbraw/zinc/88/63/32/961886332.db2.gz FPNGMWFSOJXBFK-UHFFFAOYSA-N -1 0 302.330 2.316 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 ZINC001606478867 973959630 /nfs/dbraw/zinc/95/96/30/973959630.db2.gz QSCVKLYIKGQAHJ-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM CC(C)O[C@@]1(COc2ccc(N(C)C)c(C(=O)[O-])c2)CCOC1 ZINC001591694933 975514688 /nfs/dbraw/zinc/51/46/88/975514688.db2.gz DXYPIFPTPKMGQN-KRWDZBQOSA-N -1 0 323.389 2.414 20 10 DECDRM CN(C)c1ccc(CN(C(=O)CCCC(=O)[O-])C2CC2)cc1 ZINC001598317933 991308531 /nfs/dbraw/zinc/30/85/31/991308531.db2.gz RPWRKNIZKVINCC-UHFFFAOYSA-N -1 0 304.390 2.499 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)c1cc(C(=O)[O-])ncn1 ZINC001598519498 992662224 /nfs/dbraw/zinc/66/22/24/992662224.db2.gz UGGGTIFQIKKCHW-UHFFFAOYSA-N -1 0 312.373 2.411 20 10 DECDRM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC001598541231 992903290 /nfs/dbraw/zinc/90/32/90/992903290.db2.gz LESMUQUFQMEVBS-VVDJSUPNSA-N -1 0 320.345 2.432 20 10 DECDRM C[C@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(=O)[O-])C1CC1 ZINC001593154341 993962506 /nfs/dbraw/zinc/96/25/06/993962506.db2.gz CPAVGZPMWJGHKO-OAHLLOKOSA-N -1 0 321.354 2.296 20 10 DECDRM C[C@@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(=O)[O-])C1CC1 ZINC001593154340 993962531 /nfs/dbraw/zinc/96/25/31/993962531.db2.gz CPAVGZPMWJGHKO-HNNXBMFYSA-N -1 0 321.354 2.296 20 10 DECDRM COc1cccc(CNC(=O)c2ccsc2CC(=O)[O-])c1O ZINC001599673427 994854387 /nfs/dbraw/zinc/85/43/87/994854387.db2.gz HLRDJGKBGAIBSM-UHFFFAOYSA-N -1 0 321.354 2.019 20 10 DECDRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001604289782 1070311935 /nfs/dbraw/zinc/31/19/35/1070311935.db2.gz BNHQRDNZNSWCDB-YUTCNCBUSA-N -1 0 319.405 2.366 20 10 DECDRM CCCCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC001605257978 1070662362 /nfs/dbraw/zinc/66/23/62/1070662362.db2.gz BLSICCYHXPNTKW-UPZNUWHASA-N -1 0 307.346 2.261 20 10 DECDRM CCOC(=O)C(C)(C)C(=O)CSc1ncc(C(=O)[O-])s1 ZINC001605505278 1070737594 /nfs/dbraw/zinc/73/75/94/1070737594.db2.gz HFHSGMRMHWOCQT-UHFFFAOYSA-N -1 0 317.388 2.092 20 10 DECDRM Cc1cc(O)c(CN[C@H](C(=O)[O-])c2ccn(C)n2)cc1Cl ZINC001607700026 1071532611 /nfs/dbraw/zinc/53/26/11/1071532611.db2.gz QUDSCWPJDROBGX-ZDUSSCGKSA-N -1 0 309.753 2.003 20 10 DECDRM Cc1ccc(O)c(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001607811244 1071566631 /nfs/dbraw/zinc/56/66/31/1071566631.db2.gz ODAJGMRGBYTTNK-DAXSKMNVSA-N -1 0 301.298 2.321 20 10 DECDRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC001610653217 1078058416 /nfs/dbraw/zinc/05/84/16/1078058416.db2.gz XVWWFVQLKOZBPB-YVZNUBBCSA-N -1 0 319.338 2.115 20 10 DECDRM Cn1nc(NC(=O)c2c(F)ccc(O)c2[O-])c2ccccc21 ZINC001611699957 1078105029 /nfs/dbraw/zinc/10/50/29/1078105029.db2.gz LYQPLRKQBKVTKR-UHFFFAOYSA-N -1 0 301.277 2.376 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ns[nH]c1=O ZINC001638306349 1078557183 /nfs/dbraw/zinc/55/71/83/1078557183.db2.gz XMGBTIJDMILLRW-UHFFFAOYSA-N -1 0 320.157 2.186 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001235300270 1079011860 /nfs/dbraw/zinc/01/18/60/1079011860.db2.gz WISKFLKGPFXFHM-WDEREUQCSA-N -1 0 322.149 2.199 20 10 DECDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(O)c1O ZINC001600289359 1077177046 /nfs/dbraw/zinc/17/70/46/1077177046.db2.gz BJSWYSSEUHXHKC-UHFFFAOYSA-N -1 0 317.297 2.122 20 10 DECDRM NC(=O)[C@H](Cc1ccccc1)Sc1ncc(C(=O)[O-])s1 ZINC001601138693 1077348145 /nfs/dbraw/zinc/34/81/45/1077348145.db2.gz OSMJCZWYEUVRCG-VIFPVBQESA-N -1 0 308.384 2.030 20 10 DECDRM O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1O)CC1CCCC1 ZINC001601458069 1077397765 /nfs/dbraw/zinc/39/77/65/1077397765.db2.gz GNMQKXGFNQICDF-LLVKDONJSA-N -1 0 307.346 2.109 20 10 DECDRM O=C([O-])[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001601796393 1077454216 /nfs/dbraw/zinc/45/42/16/1077454216.db2.gz RDOYOKLAGDOFCG-PSASIEDQSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC001601900191 1077472924 /nfs/dbraw/zinc/47/29/24/1077472924.db2.gz VBTBLRDWWUMJLA-FWPCIQOSSA-N -1 0 319.357 2.261 20 10 DECDRM O=C([O-])CC1CC(NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001601943898 1077480556 /nfs/dbraw/zinc/48/05/56/1077480556.db2.gz YZMSIEIGMOREKB-UHFFFAOYSA-N -1 0 312.753 2.098 20 10 DECDRM O=C([O-])[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001602202883 1077524441 /nfs/dbraw/zinc/52/44/41/1077524441.db2.gz LMDRAJRBECWREF-GXSJLCMTSA-N -1 0 306.145 2.031 20 10 DECDRM Nc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC001608273091 1077619624 /nfs/dbraw/zinc/61/96/24/1077619624.db2.gz QOFHYUSNTNOBKP-JYJNAYRXSA-N -1 0 316.401 2.303 20 10 DECDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001608533692 1077651684 /nfs/dbraw/zinc/65/16/84/1077651684.db2.gz WZJDUXUKTVRHNI-JOYOIKCWSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC001608829812 1077703104 /nfs/dbraw/zinc/70/31/04/1077703104.db2.gz PAMIDZHJRGYMOF-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001276943195 1083691840 /nfs/dbraw/zinc/69/18/40/1083691840.db2.gz PYCCXGCIYVRUSU-DIFFPNOSSA-N -1 0 320.339 2.033 20 10 DECDRM COc1ccc(F)c(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1 ZINC001212566332 1086560423 /nfs/dbraw/zinc/56/04/23/1086560423.db2.gz OYIJVBVHQRXYGW-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM O=C1NC[C@@]2(CCCN(Cc3cc(F)cc(Cl)c3[O-])C2)O1 ZINC001237806997 1138796559 /nfs/dbraw/zinc/79/65/59/1138796559.db2.gz XWDOEEZWIHWEGS-CQSZACIVSA-N -1 0 314.744 2.259 20 10 DECDRM OC[C@@H]1C[C@@H]2OCCN(Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237934579 1138811026 /nfs/dbraw/zinc/81/10/26/1138811026.db2.gz LAFHEATVZDNPIH-FGEZKYSXSA-N -1 0 315.772 2.156 20 10 DECDRM COc1c(F)cccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260434962 1144186938 /nfs/dbraw/zinc/18/69/38/1144186938.db2.gz LHFZUGUGESIYCP-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM CS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000282754247 295553445 /nfs/dbraw/zinc/55/34/45/295553445.db2.gz OJCICBLNJDWTRK-JTQLQIEISA-N -1 0 324.229 2.318 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[S@@](=O)C1 ZINC000365446204 404662955 /nfs/dbraw/zinc/66/29/55/404662955.db2.gz HKFIVWIKUXAVBY-AYLIAGHASA-N -1 0 305.802 2.385 20 10 DECDRM Cn1cc(N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)cn1 ZINC000191359759 534740025 /nfs/dbraw/zinc/74/00/25/534740025.db2.gz CVDLDALSUMZXFJ-UHFFFAOYSA-N -1 0 324.787 2.240 20 10 DECDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccn1 ZINC000236767764 524138874 /nfs/dbraw/zinc/13/88/74/524138874.db2.gz TVYULCCEPWLERI-HNNXBMFYSA-N -1 0 315.373 2.328 20 10 DECDRM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(O)c1O ZINC000821070239 597668942 /nfs/dbraw/zinc/66/89/42/597668942.db2.gz SFPMOHPUJSOAMT-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)CCCNC(=O)[O-])cc1 ZINC000737089286 599723065 /nfs/dbraw/zinc/72/30/65/599723065.db2.gz SBQQHOWGGSSTPD-UHFFFAOYSA-N -1 0 307.394 2.197 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000739625348 599778972 /nfs/dbraw/zinc/77/89/72/599778972.db2.gz OXLJFGZPLUMQKE-RYWCDNDXSA-N -1 0 320.345 2.291 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C(=O)[O-])n1 ZINC000738402436 600622719 /nfs/dbraw/zinc/62/27/19/600622719.db2.gz RUBZLVOKLXUHEL-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM CC[C@@H](C)[C@@H](NC(=O)CN(CC)c1ccc(OC)cc1)C(=O)[O-] ZINC000828710109 600991728 /nfs/dbraw/zinc/99/17/28/600991728.db2.gz WBRUWXYFEQSKDP-MLGOLLRUSA-N -1 0 322.405 2.137 20 10 DECDRM O=C([O-])CCCNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000739680376 600993327 /nfs/dbraw/zinc/99/33/27/600993327.db2.gz BRUHSVSPACSZOP-UHFFFAOYSA-N -1 0 322.430 2.100 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1ccc(-n2cnnn2)cc1 ZINC000830394174 601388382 /nfs/dbraw/zinc/38/83/82/601388382.db2.gz AFFGKHSKVGGKAF-UHFFFAOYSA-N -1 0 314.301 2.095 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1ccc(OC)cc1C(N)=O ZINC000830394340 601389325 /nfs/dbraw/zinc/38/93/25/601389325.db2.gz CJNGFCYLNXYIQM-UHFFFAOYSA-N -1 0 319.313 2.227 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)c(C)n1-c1ccccn1 ZINC000832860257 601672420 /nfs/dbraw/zinc/67/24/20/601672420.db2.gz LNFFWVRIOUCIOK-UHFFFAOYSA-N -1 0 313.357 2.178 20 10 DECDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)N(C)Cc1ccccc1O ZINC000826789164 603897519 /nfs/dbraw/zinc/89/75/19/603897519.db2.gz QZJYGMDZEACTFB-ZDUSSCGKSA-N -1 0 323.393 2.360 20 10 DECDRM O=C([O-])N(CC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000833998216 605986587 /nfs/dbraw/zinc/98/65/87/605986587.db2.gz PPAAQOFYMRZMKL-UHFFFAOYSA-N -1 0 318.373 2.030 20 10 DECDRM C[C@H](CC[NH2+]Cc1cccc(Br)c1[O-])NC(=O)[O-] ZINC000833805830 606008978 /nfs/dbraw/zinc/00/89/78/606008978.db2.gz SIPUQFORHNMHPM-MRVPVSSYSA-N -1 0 317.183 2.291 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000314225830 625779204 /nfs/dbraw/zinc/77/92/04/625779204.db2.gz BOSCWNTVFYWCEI-JYBZGJHDSA-N -1 0 306.318 2.306 20 10 DECDRM CCOC(=O)[C@@H]1CSCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893917854 636064501 /nfs/dbraw/zinc/06/45/01/636064501.db2.gz DHCJMWMDVYFQGW-LBPRGKRZSA-N -1 0 317.357 2.151 20 10 DECDRM CN1CN(Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000894433549 637037926 /nfs/dbraw/zinc/03/79/26/637037926.db2.gz RETXRUZMSSSSMN-UHFFFAOYSA-N -1 0 319.586 2.040 20 10 DECDRM COCCCOC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839134721 637801566 /nfs/dbraw/zinc/80/15/66/637801566.db2.gz VLCZBTASHXVNMW-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O ZINC000758772964 639993226 /nfs/dbraw/zinc/99/32/26/639993226.db2.gz DYZJDAIVYLJJLX-UHFFFAOYSA-N -1 0 321.354 2.404 20 10 DECDRM COc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000775289682 642024192 /nfs/dbraw/zinc/02/41/92/642024192.db2.gz ZJEYMHRDYPDSEP-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM CCC[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776433636 642172772 /nfs/dbraw/zinc/17/27/72/642172772.db2.gz XOQHBPLKTHQBQJ-VIFPVBQESA-N -1 0 301.364 2.268 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)ccc1O ZINC000776748503 642204008 /nfs/dbraw/zinc/20/40/08/642204008.db2.gz LQVFGAPORBQJEA-UHFFFAOYSA-N -1 0 321.354 2.273 20 10 DECDRM O=C(c1c(F)ccc(O)c1O)N1CC[C@H](Cc2nccs2)C1 ZINC000900829431 642484020 /nfs/dbraw/zinc/48/40/20/642484020.db2.gz PQUFIRISGVXNAU-SECBINFHSA-N -1 0 322.361 2.398 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000901703204 642759237 /nfs/dbraw/zinc/75/92/37/642759237.db2.gz DRIWMFJATXNMKQ-UHFFFAOYSA-N -1 0 314.388 2.275 20 10 DECDRM CCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cn1 ZINC000792702601 644140924 /nfs/dbraw/zinc/14/09/24/644140924.db2.gz AZGXTJTVGUKOIS-UHFFFAOYSA-N -1 0 313.404 2.131 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000843329522 650950407 /nfs/dbraw/zinc/95/04/07/650950407.db2.gz LUQKVIMZPSWVAM-HNNXBMFYSA-N -1 0 306.406 2.458 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000911221720 645655010 /nfs/dbraw/zinc/65/50/10/645655010.db2.gz SAGYWWIROJPGIF-HNNXBMFYSA-N -1 0 304.390 2.404 20 10 DECDRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000911301822 645673610 /nfs/dbraw/zinc/67/36/10/645673610.db2.gz RDRHVCGVBUOAEU-LBPRGKRZSA-N -1 0 304.390 2.186 20 10 DECDRM CSCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359808 645684427 /nfs/dbraw/zinc/68/44/27/645684427.db2.gz HHKMWUCCMSHNBL-UHFFFAOYSA-N -1 0 317.794 2.212 20 10 DECDRM COc1ccc(O)c(CNC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000911386982 645688192 /nfs/dbraw/zinc/68/81/92/645688192.db2.gz LNFSTCRYHMECCA-UHFFFAOYSA-N -1 0 321.373 2.298 20 10 DECDRM O=C(NCc1cccc(Br)c1O)[C@H]1CCC(=O)C1 ZINC000843867417 651041648 /nfs/dbraw/zinc/04/16/48/651041648.db2.gz LWPCQNKTKWEVNJ-QMMMGPOBSA-N -1 0 312.163 2.140 20 10 DECDRM C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])n1cncn1 ZINC000807839997 645995363 /nfs/dbraw/zinc/99/53/63/645995363.db2.gz PAJRMIOQJJGRKA-SSDOTTSWSA-N -1 0 315.160 2.168 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000811519350 646539521 /nfs/dbraw/zinc/53/95/21/646539521.db2.gz ZNTFXXXEERKZGD-IUCAKERBSA-N -1 0 321.801 2.192 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000816565391 647152353 /nfs/dbraw/zinc/15/23/53/647152353.db2.gz NRQDQTCHJPJHMM-LLVKDONJSA-N -1 0 313.716 2.141 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C(N)=O)C1 ZINC000816574906 647154381 /nfs/dbraw/zinc/15/43/81/647154381.db2.gz WCXJRYMSYULXHF-UFBFGSQYSA-N -1 0 300.761 2.271 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNc2ccc(COCCO)cc2)c1 ZINC000818233138 647437428 /nfs/dbraw/zinc/43/74/28/647437428.db2.gz CKFSZYYXIXWNTP-UHFFFAOYSA-N -1 0 318.329 2.421 20 10 DECDRM O=S1(=O)CCN(Cc2cccc(Cl)c2[O-])[C@@H]2CCC[C@@H]21 ZINC000825200659 648724083 /nfs/dbraw/zinc/72/40/83/648724083.db2.gz FXEKSXJXPBSUES-OLZOCXBDSA-N -1 0 315.822 2.197 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCc3nccnc3C2)c1[O-] ZINC000827691764 649068774 /nfs/dbraw/zinc/06/87/74/649068774.db2.gz BFYHXIFBSJOEHS-UHFFFAOYSA-N -1 0 320.736 2.302 20 10 DECDRM COc1nc(NCc2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000844206499 651091787 /nfs/dbraw/zinc/09/17/87/651091787.db2.gz DQPFKUAIJRTABZ-UHFFFAOYSA-N -1 0 301.346 2.467 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000848585891 651475951 /nfs/dbraw/zinc/47/59/51/651475951.db2.gz FHKCOVGSMCXAGZ-CYBMUJFWSA-N -1 0 321.421 2.395 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000851653349 652199299 /nfs/dbraw/zinc/19/92/99/652199299.db2.gz IQKIYJVWQJYAHG-UHFFFAOYSA-N -1 0 319.405 2.149 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)cc1F ZINC000852950777 652483748 /nfs/dbraw/zinc/48/37/48/652483748.db2.gz LAVHQTWXWRRUOB-OAHLLOKOSA-N -1 0 322.380 2.399 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C ZINC000871957663 688901431 /nfs/dbraw/zinc/90/14/31/688901431.db2.gz YKKDRQWPXGJJHF-LURJTMIESA-N -1 0 300.236 2.006 20 10 DECDRM CN(Cc1nc(CC2CC2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC000872160924 688942395 /nfs/dbraw/zinc/94/23/95/688942395.db2.gz PUUJXLNVBZWJSF-UHFFFAOYSA-N -1 0 317.345 2.122 20 10 DECDRM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000874046558 689345907 /nfs/dbraw/zinc/34/59/07/689345907.db2.gz DALJFBDYFNPUOZ-DTORHVGOSA-N -1 0 300.152 2.108 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)[S@]1=O ZINC000877517318 690138414 /nfs/dbraw/zinc/13/84/14/690138414.db2.gz MVGFZKGHBURAEP-YNCXGMNZSA-N -1 0 303.374 2.402 20 10 DECDRM CC(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C(=O)[O-] ZINC001121918290 782376897 /nfs/dbraw/zinc/37/68/97/782376897.db2.gz FFZFIBPIYZDXJL-LLVKDONJSA-N -1 0 314.769 2.202 20 10 DECDRM COc1ccc(C)nc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880889 791647355 /nfs/dbraw/zinc/64/73/55/791647355.db2.gz KVPZXBQUBVDFEO-UHFFFAOYSA-N -1 0 324.340 2.130 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CC(N2CCC(F)(F)C2)C1 ZINC001139684499 794922307 /nfs/dbraw/zinc/92/23/07/794922307.db2.gz XFPYKCQOSDIVEI-UHFFFAOYSA-N -1 0 304.287 2.196 20 10 DECDRM C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001119611783 795329376 /nfs/dbraw/zinc/32/93/76/795329376.db2.gz LLGRVJBSAXLXMW-LURJTMIESA-N -1 0 306.131 2.104 20 10 DECDRM C[C@H]1CN(C2CN(Cc3cc(Cl)ccc3O)C2)C[C@H](C)O1 ZINC001203665600 796559678 /nfs/dbraw/zinc/55/96/78/796559678.db2.gz PAKKJVDPJMKHKG-RYUDHWBXSA-N -1 0 310.825 2.339 20 10 DECDRM O=C(CNC(=O)c1cc2sccc2[nH]1)c1ccc(O)c(O)c1 ZINC001152267920 798056812 /nfs/dbraw/zinc/05/68/12/798056812.db2.gz NMXZKRQKAFTIQY-UHFFFAOYSA-N -1 0 316.338 2.253 20 10 DECDRM O=S(=O)(Cc1ccccn1)Nc1cc(F)c(O)c(F)c1 ZINC001197820755 798248854 /nfs/dbraw/zinc/24/88/54/798248854.db2.gz KGVOLCUXCYEOGD-UHFFFAOYSA-N -1 0 300.286 2.007 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198232517 798300810 /nfs/dbraw/zinc/30/08/10/798300810.db2.gz ALDLFJRYPNLHJW-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001201756444 798795310 /nfs/dbraw/zinc/79/53/10/798795310.db2.gz RIPFJVUCDQUGRE-UHFFFAOYSA-N -1 0 320.779 2.317 20 10 DECDRM O=C([O-])c1ccc(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001231455743 801668861 /nfs/dbraw/zinc/66/88/61/801668861.db2.gz UYLQYUXFCAJYNH-UHFFFAOYSA-N -1 0 317.316 2.493 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CC(OCc3ccccc3)C2)c1 ZINC001231564423 801686774 /nfs/dbraw/zinc/68/67/74/801686774.db2.gz QDMVOLATXYRBNH-UHFFFAOYSA-N -1 0 313.353 2.491 20 10 DECDRM COC(=O)c1cn2c(n1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001231914854 801749711 /nfs/dbraw/zinc/74/97/11/801749711.db2.gz SOWOUVPPJAPVRD-UHFFFAOYSA-N -1 0 321.764 2.045 20 10 DECDRM C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(Br)cc1F ZINC001233030380 802009035 /nfs/dbraw/zinc/00/90/35/802009035.db2.gz RBHDFDSCSOKOAQ-UWVGGRQHSA-N -1 0 315.186 2.182 20 10 DECDRM C[C@H](C(=O)[O-])N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001602815560 971618180 /nfs/dbraw/zinc/61/81/80/971618180.db2.gz ZXOJMZZYBHIVFS-SSDOTTSWSA-N -1 0 321.354 2.390 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001593708851 954167865 /nfs/dbraw/zinc/16/78/65/954167865.db2.gz HDOANGWFRDBFNM-FPLPWBNLSA-N -1 0 314.341 2.373 20 10 DECDRM COc1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(O)c1 ZINC001594094733 958394249 /nfs/dbraw/zinc/39/42/49/958394249.db2.gz VUTAQBNIFDTMCW-FNORWQNLSA-N -1 0 317.297 2.022 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC(OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000398823634 973174616 /nfs/dbraw/zinc/17/46/16/973174616.db2.gz DWXSSFZZKZILIW-DUXPYHPUSA-N -1 0 314.244 2.120 20 10 DECDRM CCCc1cc(Sc2ncc(C(=O)[O-])s2)n2ncnc2n1 ZINC001596058766 983366491 /nfs/dbraw/zinc/36/64/91/983366491.db2.gz QKSCADQTLVQZQB-UHFFFAOYSA-N -1 0 321.387 2.383 20 10 DECDRM CCc1nnc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001597730768 989049753 /nfs/dbraw/zinc/04/97/53/989049753.db2.gz YICYSFHYUUGCHJ-UHFFFAOYSA-N -1 0 307.375 2.200 20 10 DECDRM CN(C(=O)C1=CC(=O)CS1)c1ccc(OCC(=O)[O-])cc1 ZINC001598079090 990391371 /nfs/dbraw/zinc/39/13/71/990391371.db2.gz RNMPEBUDVSHSIH-UHFFFAOYSA-N -1 0 307.327 2.194 20 10 DECDRM COc1ccc(N(C)Cc2ccc(C(=O)[O-])n2C)cc1OC ZINC001599584060 993589521 /nfs/dbraw/zinc/58/95/21/993589521.db2.gz LYWCNMCPWYIZDA-UHFFFAOYSA-N -1 0 304.346 2.377 20 10 DECDRM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593208320 994224246 /nfs/dbraw/zinc/22/42/46/994224246.db2.gz HOTXROAXKZLNLG-HQJQHLMTSA-N -1 0 307.268 2.054 20 10 DECDRM CC(C)[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1nncn1C ZINC001593209057 994233780 /nfs/dbraw/zinc/23/37/80/994233780.db2.gz HPQWMCVYSCDJBN-QMTHXVAHSA-N -1 0 318.377 2.267 20 10 DECDRM COc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1C(=O)[O-] ZINC001599442259 997948750 /nfs/dbraw/zinc/94/87/50/997948750.db2.gz OKDMGBZHJXAKPU-UHFFFAOYSA-N -1 0 317.297 2.365 20 10 DECDRM O=C([O-])c1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)n1 ZINC001602654926 1069713644 /nfs/dbraw/zinc/71/36/44/1069713644.db2.gz IQVQEWWXHVYURO-FMIVXFBMSA-N -1 0 317.370 2.236 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1cccc2c1NC(=O)CO2 ZINC001610578981 1078046097 /nfs/dbraw/zinc/04/60/97/1078046097.db2.gz UGZYIWDEZQHUGY-UHFFFAOYSA-N -1 0 303.270 2.196 20 10 DECDRM CC(C)[C@H](NC(=O)CSc1ncc(Cl)s1)C(=O)[O-] ZINC001603974262 1070161743 /nfs/dbraw/zinc/16/17/43/1070161743.db2.gz UYCCZSQTYMBPJY-QMMMGPOBSA-N -1 0 308.812 2.114 20 10 DECDRM Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)cc(-c2nn[nH]n2)n1 ZINC001605717330 1070870941 /nfs/dbraw/zinc/87/09/41/1070870941.db2.gz FWGVULMCALQCLJ-GFCCVEGCSA-N -1 0 323.404 2.231 20 10 DECDRM CN(Cc1ccc(CO)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001606157300 1071054673 /nfs/dbraw/zinc/05/46/73/1071054673.db2.gz HDCOCLMTLZYWMT-UHFFFAOYSA-N -1 0 301.342 2.279 20 10 DECDRM CN(Cc1cnn2ccccc12)c1ccc(OCC(=O)[O-])cc1 ZINC001606174298 1071063474 /nfs/dbraw/zinc/06/34/74/1071063474.db2.gz FCYAMWLQGFLNMQ-UHFFFAOYSA-N -1 0 311.341 2.434 20 10 DECDRM Cc1ccc(O)c(CN(CCC(=O)[O-])CC(=O)OC(C)(C)C)c1 ZINC001607811613 1071566173 /nfs/dbraw/zinc/56/61/73/1071566173.db2.gz ZBQLSWAPQXJRIE-UHFFFAOYSA-N -1 0 323.389 2.319 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1[O-] ZINC001466791771 1059539226 /nfs/dbraw/zinc/53/92/26/1059539226.db2.gz ZIBOQBLRLDKCLY-VIFPVBQESA-N -1 0 305.305 2.304 20 10 DECDRM O=C([O-])CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC001610758584 1078072579 /nfs/dbraw/zinc/07/25/79/1078072579.db2.gz XZSNWPVFCYHKRA-UHFFFAOYSA-N -1 0 317.744 2.298 20 10 DECDRM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnnn1C ZINC001621095629 1078169440 /nfs/dbraw/zinc/16/94/40/1078169440.db2.gz OGFKCYWCZVUSHR-LURJTMIESA-N -1 0 302.165 2.073 20 10 DECDRM Cc1cn2cc(NC(=O)c3c([O-])c(O)ccc3F)ccc2n1 ZINC001638268254 1078555353 /nfs/dbraw/zinc/55/53/53/1078555353.db2.gz WNDIWOKEVYKGPE-UHFFFAOYSA-N -1 0 301.277 2.445 20 10 DECDRM CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590461345 1076630564 /nfs/dbraw/zinc/63/05/64/1076630564.db2.gz BEYCZQQLOOLVFX-CABZTGNLSA-N -1 0 307.423 2.365 20 10 DECDRM Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600199128 1077159124 /nfs/dbraw/zinc/15/91/24/1077159124.db2.gz XLGMVRJHWBZMMO-HWKANZROSA-N -1 0 317.297 2.027 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c(O)c1O ZINC001600335570 1077182685 /nfs/dbraw/zinc/18/26/85/1077182685.db2.gz QWQUFQIEHNNROI-JTQLQIEISA-N -1 0 307.327 2.023 20 10 DECDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(N)cc2)cc1 ZINC001600370645 1077188178 /nfs/dbraw/zinc/18/81/78/1077188178.db2.gz DKHLAHGCSPKDFQ-MRXNPFEDSA-N -1 0 312.369 2.452 20 10 DECDRM Cc1cccc(CN(CCC(=O)[O-])CC(=O)OC(C)(C)C)c1O ZINC001600532288 1077216648 /nfs/dbraw/zinc/21/66/48/1077216648.db2.gz FOXQWNCKZPDNQD-UHFFFAOYSA-N -1 0 323.389 2.319 20 10 DECDRM O=C([O-])[C@H](C[C@H]1CCCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601643282 1077424458 /nfs/dbraw/zinc/42/44/58/1077424458.db2.gz VEZZOCVYAGBLHT-RNCFNFMXSA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])C1=CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001601740172 1077443960 /nfs/dbraw/zinc/44/39/60/1077443960.db2.gz JBWCEFDUEIALMG-SNVBAGLBSA-N -1 0 312.163 2.418 20 10 DECDRM Cn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1C(=O)[O-] ZINC001608121059 1077595682 /nfs/dbraw/zinc/59/56/82/1077595682.db2.gz ZKVRLVRNORLMDG-UHFFFAOYSA-N -1 0 315.289 2.138 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001608237853 1077614575 /nfs/dbraw/zinc/61/45/75/1077614575.db2.gz HFGJIRDQVUOGGN-LLVKDONJSA-N -1 0 318.333 2.080 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001608660905 1077672530 /nfs/dbraw/zinc/67/25/30/1077672530.db2.gz FWNRKLPSOQGFFQ-KMOQFTEPSA-N -1 0 324.308 2.257 20 10 DECDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001608922999 1077721690 /nfs/dbraw/zinc/72/16/90/1077721690.db2.gz LBDFREGSBKOTFG-UHFFFAOYSA-N -1 0 317.272 2.091 20 10 DECDRM O=C1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@H]1F ZINC001235301768 1084378940 /nfs/dbraw/zinc/37/89/40/1084378940.db2.gz GVQUQGWJWWWMEA-SNVBAGLBSA-N -1 0 320.133 2.407 20 10 DECDRM COc1c(F)c(F)ccc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566054 1086558610 /nfs/dbraw/zinc/55/86/10/1086558610.db2.gz ALLWGUODWNGMBG-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM O=c1cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc([O-])[nH]1 ZINC001212566096 1086559052 /nfs/dbraw/zinc/55/90/52/1086559052.db2.gz CDRRGEZTPADZCW-UHFFFAOYSA-N -1 0 321.296 2.396 20 10 DECDRM COc1ccc(CN2CCc3c(ncn3C)C2)c([O-])c1Cl ZINC001236805493 1138434205 /nfs/dbraw/zinc/43/42/05/1138434205.db2.gz ALVLHNLGMHELOZ-UHFFFAOYSA-N -1 0 307.781 2.346 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cccc2cccnc21 ZINC001250956830 1142353420 /nfs/dbraw/zinc/35/34/20/1142353420.db2.gz CFOVZRVPIXOHCQ-UHFFFAOYSA-N -1 0 316.338 2.447 20 10 DECDRM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1O ZINC001260192069 1144180923 /nfs/dbraw/zinc/18/09/23/1144180923.db2.gz ROYBFHALLHQOLE-JTQLQIEISA-N -1 0 321.354 2.130 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000273550471 130135504 /nfs/dbraw/zinc/13/55/04/130135504.db2.gz FVWAOJHCXNRLQM-QWRGUYRKSA-N -1 0 303.362 2.324 20 10 DECDRM C[C@@H](CF)NC(=O)NCc1cccc(Br)c1O ZINC000289243122 131368795 /nfs/dbraw/zinc/36/87/95/131368795.db2.gz SUMMCPXMYRPPGP-ZETCQYMHSA-N -1 0 305.147 2.312 20 10 DECDRM CCOC(=O)[C@H](F)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000294076403 403642233 /nfs/dbraw/zinc/64/22/33/403642233.db2.gz YSVWDCVRNWAVAC-GFCCVEGCSA-N -1 0 301.745 2.379 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC000295029926 403741068 /nfs/dbraw/zinc/74/10/68/403741068.db2.gz XMFMOYXYKMIETO-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM COCCCn1cc(C)c(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000295775983 404013639 /nfs/dbraw/zinc/01/36/39/404013639.db2.gz ZBKDOMKPUNJKKV-UHFFFAOYSA-N -1 0 323.324 2.031 20 10 DECDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)n1-c1ccccn1 ZINC000237691171 225212539 /nfs/dbraw/zinc/21/25/39/225212539.db2.gz DSXQJHWCWYBDMH-CQSZACIVSA-N -1 0 313.357 2.178 20 10 DECDRM C[C@H](NCc1cc(Br)ccc1O)c1nncn1C ZINC000222027018 337176055 /nfs/dbraw/zinc/17/60/55/337176055.db2.gz ILQHFRDJNHINSO-QMMMGPOBSA-N -1 0 311.183 2.134 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NCCCCC(=O)[O-])c1 ZINC000738041362 600109339 /nfs/dbraw/zinc/10/93/39/600109339.db2.gz IJFSNBASXMJFHZ-JTQLQIEISA-N -1 0 310.350 2.016 20 10 DECDRM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000739642181 600849730 /nfs/dbraw/zinc/84/97/30/600849730.db2.gz NWUCEVTYSSRILH-FYJFLYSWSA-N -1 0 309.325 2.095 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000320633445 601125980 /nfs/dbraw/zinc/12/59/80/601125980.db2.gz CCRFOPMZXMRCKJ-ZIAGYGMSSA-N -1 0 304.390 2.260 20 10 DECDRM CC(C)[C@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824065421 603028411 /nfs/dbraw/zinc/02/84/11/603028411.db2.gz VSMBOTVSZFMUBW-WFASDCNBSA-N -1 0 321.421 2.470 20 10 DECDRM C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)[O-] ZINC000824565863 603298578 /nfs/dbraw/zinc/29/85/78/603298578.db2.gz SSBGBUUOWFDWFS-LBPRGKRZSA-N -1 0 319.405 2.290 20 10 DECDRM CC(C)(CNC(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000823955938 603671221 /nfs/dbraw/zinc/67/12/21/603671221.db2.gz JTRHPMUAHSYBIE-UHFFFAOYSA-N -1 0 317.436 2.035 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CCN(C(=O)[O-])C2)cc1 ZINC000828356336 603868092 /nfs/dbraw/zinc/86/80/92/603868092.db2.gz XQVLSRCKYJUNQJ-QGZVFWFLSA-N -1 0 319.405 2.101 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C2=CCCC2)NC(=O)[O-])cc1 ZINC000828054946 604508157 /nfs/dbraw/zinc/50/81/57/604508157.db2.gz ALGOAYYOBDAFRD-HNNXBMFYSA-N -1 0 317.389 2.288 20 10 DECDRM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833554567 604674989 /nfs/dbraw/zinc/67/49/89/604674989.db2.gz ZSVPCTOMAIDOJM-CYBMUJFWSA-N -1 0 314.725 2.250 20 10 DECDRM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F ZINC000182407644 625257382 /nfs/dbraw/zinc/25/73/82/625257382.db2.gz LBNXZFGCJRHORS-UHFFFAOYSA-N -1 0 324.333 2.291 20 10 DECDRM Cc1ccc(F)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000735077011 633459456 /nfs/dbraw/zinc/45/94/56/633459456.db2.gz IHUXAAMIEZGXPE-YHYXMXQVSA-N -1 0 311.359 2.420 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000318955113 635833719 /nfs/dbraw/zinc/83/37/19/635833719.db2.gz AEPHHWKGVVUJMM-KGLIPLIRSA-N -1 0 304.390 2.212 20 10 DECDRM CC1(C)C(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093084602 636708907 /nfs/dbraw/zinc/70/89/07/636708907.db2.gz GBCIRSISRFBFLP-UHFFFAOYSA-N -1 0 303.189 2.409 20 10 DECDRM Cc1nc(CNCc2ccc3c(c2)CCO3)sc1C(=O)[O-] ZINC000756299140 639645891 /nfs/dbraw/zinc/64/58/91/639645891.db2.gz DNDDKMJYIMCJFA-UHFFFAOYSA-N -1 0 304.371 2.374 20 10 DECDRM C[C@]1(C(=O)[O-])CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000756386672 639657597 /nfs/dbraw/zinc/65/75/97/639657597.db2.gz IOASBRLMUWZPJD-HIFRSBDPSA-N -1 0 308.334 2.424 20 10 DECDRM C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043595 640517057 /nfs/dbraw/zinc/51/70/57/640517057.db2.gz JJNZBPKGKGXSBK-BXUZGUMPSA-N -1 0 305.378 2.072 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000322155190 640748483 /nfs/dbraw/zinc/74/84/83/640748483.db2.gz LQHVTZQHDWUSGU-SNVBAGLBSA-N -1 0 324.333 2.303 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000766047386 640841559 /nfs/dbraw/zinc/84/15/59/640841559.db2.gz GWZAEWFRRDQQGN-UHFFFAOYSA-N -1 0 312.372 2.161 20 10 DECDRM CCc1ccccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000777636178 642290789 /nfs/dbraw/zinc/29/07/89/642290789.db2.gz PTHKORYTJMXYNC-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842628324 650787321 /nfs/dbraw/zinc/78/73/21/650787321.db2.gz WUWBPVMPDPPOOT-ZDUSSCGKSA-N -1 0 304.390 2.260 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC000901895858 642814516 /nfs/dbraw/zinc/81/45/16/642814516.db2.gz WQLRVKPRIBZTLG-UHFFFAOYSA-N -1 0 307.375 2.423 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC000901917487 642823516 /nfs/dbraw/zinc/82/35/16/642823516.db2.gz SQJPFXXKWCEJAI-UHFFFAOYSA-N -1 0 321.402 2.366 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ccnn2C2CCC2)ccc1O ZINC000901907059 642829852 /nfs/dbraw/zinc/82/98/52/642829852.db2.gz DRJGKXPTJJWWOO-UHFFFAOYSA-N -1 0 307.375 2.423 20 10 DECDRM O=C([O-])[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000789901933 643787321 /nfs/dbraw/zinc/78/73/21/643787321.db2.gz IGOPGLPMBAFUJI-GFCCVEGCSA-N -1 0 306.145 2.032 20 10 DECDRM CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)[O-] ZINC000843039150 650873665 /nfs/dbraw/zinc/87/36/65/650873665.db2.gz NFOWDKHDSROIOJ-JTQLQIEISA-N -1 0 302.168 2.416 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC000843041537 650874555 /nfs/dbraw/zinc/87/45/55/650874555.db2.gz RRSKEBJALXXAJT-UHFFFAOYSA-N -1 0 317.744 2.156 20 10 DECDRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1F ZINC000799892408 645229722 /nfs/dbraw/zinc/22/97/22/645229722.db2.gz HORRLQPRZLREFN-JLHYYAGUSA-N -1 0 312.300 2.296 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000910362430 645423214 /nfs/dbraw/zinc/42/32/14/645423214.db2.gz KZFDKIBCYGDHRK-XCWSRWAASA-N -1 0 318.329 2.308 20 10 DECDRM CN(C)c1ccc(CNC(=O)CC(C)(C)CC(=O)[O-])cc1F ZINC000911300324 645672539 /nfs/dbraw/zinc/67/25/39/645672539.db2.gz LBQIKUYGMUTLHI-UHFFFAOYSA-N -1 0 310.369 2.399 20 10 DECDRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)C(F)(F)F ZINC000911492372 645722528 /nfs/dbraw/zinc/72/25/28/645722528.db2.gz DRTHPWDVLSLMQF-VIFPVBQESA-N -1 0 319.279 2.394 20 10 DECDRM Cn1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000813006943 646718994 /nfs/dbraw/zinc/71/89/94/646718994.db2.gz AQUWGUZQHQHMCC-UHFFFAOYSA-N -1 0 316.148 2.149 20 10 DECDRM C[C@H](O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)F ZINC000825098793 648703203 /nfs/dbraw/zinc/70/32/03/648703203.db2.gz OMDZEXXCBXOAHR-ZETCQYMHSA-N -1 0 324.711 2.402 20 10 DECDRM CO[C@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826951690 648951851 /nfs/dbraw/zinc/95/18/51/648951851.db2.gz BIPIBXCYTOCIFJ-CQSZACIVSA-N -1 0 303.761 2.158 20 10 DECDRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1O ZINC000000206111 649410582 /nfs/dbraw/zinc/41/05/82/649410582.db2.gz UOQNJMYRZUMGHB-GXDHUFHOSA-N -1 0 324.336 2.252 20 10 DECDRM CC1(CO)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844211865 651093843 /nfs/dbraw/zinc/09/38/43/651093843.db2.gz JGNJMMHJUJRNOJ-HWKANZROSA-N -1 0 320.345 2.291 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)C2(C(=O)[O-])CC2)cc1 ZINC000844248149 651098983 /nfs/dbraw/zinc/09/89/83/651098983.db2.gz FRMMGKXSLPCBCA-UHFFFAOYSA-N -1 0 304.390 2.356 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)CC(C)C)cc1 ZINC000872959056 689128915 /nfs/dbraw/zinc/12/89/15/689128915.db2.gz ALCMMPNTZLGTAN-CYBMUJFWSA-N -1 0 322.405 2.137 20 10 DECDRM CCC(CC)(CNC(=O)N1Cc2cccc(O)c2C1)C(=O)[O-] ZINC000874405870 689403928 /nfs/dbraw/zinc/40/39/28/689403928.db2.gz VJCHZPWPPPBMBA-UHFFFAOYSA-N -1 0 306.362 2.308 20 10 DECDRM C[C@H](CS(C)(=O)=O)N(Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876737365 689922110 /nfs/dbraw/zinc/92/21/10/689922110.db2.gz SFXAHKXHBOBZGJ-SECBINFHSA-N -1 0 319.373 2.068 20 10 DECDRM Cc1nccnc1N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877501511 690132518 /nfs/dbraw/zinc/13/25/18/690132518.db2.gz PQDATHVXYXCRJC-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM COc1ccc(N(C)Cc2cn(C)nc2C(=O)[O-])cc1Cl ZINC001350600822 1151373804 /nfs/dbraw/zinc/37/38/04/1151373804.db2.gz HNJNONGDESCKDK-UHFFFAOYSA-N -1 0 309.753 2.417 20 10 DECDRM CCOC(=O)[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CCS1 ZINC001140585346 796541758 /nfs/dbraw/zinc/54/17/58/796541758.db2.gz GCQPTBFDIACKHB-ZDUSSCGKSA-N -1 0 317.357 2.151 20 10 DECDRM N=C(NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ccc(F)cn1 ZINC001193625018 797595420 /nfs/dbraw/zinc/59/54/20/797595420.db2.gz CWCDSYIBEREMGG-UHFFFAOYSA-N -1 0 309.684 2.041 20 10 DECDRM CCn1cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)ccc1=O ZINC001193633587 797597554 /nfs/dbraw/zinc/59/75/54/797597554.db2.gz ALCRBQZHFMXUPJ-UHFFFAOYSA-N -1 0 308.721 2.185 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccc2nccnc21 ZINC001194976590 797809514 /nfs/dbraw/zinc/80/95/14/797809514.db2.gz IZYFJIXRPWXSHQ-UHFFFAOYSA-N -1 0 319.317 2.275 20 10 DECDRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1C ZINC000207097720 799093179 /nfs/dbraw/zinc/09/31/79/799093179.db2.gz UZVFCPNUMMZQJS-WDZFZDKYSA-N -1 0 323.395 2.289 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C2COC2)CC1 ZINC001203571975 800082756 /nfs/dbraw/zinc/08/27/56/800082756.db2.gz SOFRNFBUHRULGU-UHFFFAOYSA-N -1 0 317.216 2.215 20 10 DECDRM CN(C)c1ccc(CN(C(=O)c2c[n-]ncc2=O)C2CC2)cc1 ZINC001335636402 1150482867 /nfs/dbraw/zinc/48/28/67/1150482867.db2.gz YJTUIKWJZPZXTD-UHFFFAOYSA-N -1 0 312.373 2.053 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001594767779 953537620 /nfs/dbraw/zinc/53/76/20/953537620.db2.gz LOUMKTZFSQRXLS-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM CN(C)c1ccc(CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C2CC2)cc1 ZINC001593708936 954170152 /nfs/dbraw/zinc/17/01/52/954170152.db2.gz LOSRONXTNKKHSO-INIZCTEOSA-N -1 0 316.401 2.354 20 10 DECDRM O=C([O-])C1(C(=O)NCc2cc(O)ccc2O)CCCCCC1 ZINC001594862804 954288804 /nfs/dbraw/zinc/28/88/04/954288804.db2.gz NFMIIYSZSMCNJF-UHFFFAOYSA-N -1 0 307.346 2.139 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594311587 958030914 /nfs/dbraw/zinc/03/09/14/958030914.db2.gz LXOGPEGOELJDGV-BBRMVZONSA-N -1 0 320.433 2.465 20 10 DECDRM O=C([O-])c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001605840364 972579334 /nfs/dbraw/zinc/57/93/34/972579334.db2.gz VDHOVBVDJJYRSM-UHFFFAOYSA-N -1 0 318.676 2.222 20 10 DECDRM CN(C)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])n(C)c2)cc1F ZINC001598320762 991320105 /nfs/dbraw/zinc/32/01/05/991320105.db2.gz RDGWLTYKCIDTBV-UHFFFAOYSA-N -1 0 305.353 2.218 20 10 DECDRM CN(C)c1ccc(OCc2ccc(Cl)nn2)cc1C(=O)[O-] ZINC001598328618 991352710 /nfs/dbraw/zinc/35/27/10/991352710.db2.gz VQQOYCHTGAFLAW-UHFFFAOYSA-N -1 0 307.737 2.473 20 10 DECDRM CN(C)c1ccc(OCc2nc(C3CC3)nn2C)cc1C(=O)[O-] ZINC001598330143 991367964 /nfs/dbraw/zinc/36/79/64/991367964.db2.gz INARJKDNAVCUNP-UHFFFAOYSA-N -1 0 316.361 2.036 20 10 DECDRM COc1ccc(N(C)C[C@H]2[C@H](C(=O)[O-])C2(F)F)cc1OC ZINC001599584016 993588457 /nfs/dbraw/zinc/58/84/57/993588457.db2.gz LECBOPYDJOWFFV-JOYOIKCWSA-N -1 0 301.289 2.106 20 10 DECDRM COc1ccc([C@H]([NH2+]Cc2cccc(F)c2[O-])C(=O)[O-])cc1O ZINC001599530373 997639281 /nfs/dbraw/zinc/63/92/81/997639281.db2.gz BDYMTUNDWSIPHB-AWEZNQCLSA-N -1 0 321.304 2.161 20 10 DECDRM O=C([O-])c1cnc(SC[C@@H](O)c2ccc(F)cn2)s1 ZINC001602537611 1069667182 /nfs/dbraw/zinc/66/71/82/1069667182.db2.gz XGNYSCZYVNLBIF-MRVPVSSYSA-N -1 0 300.336 2.201 20 10 DECDRM C[C@@](CC(=O)[O-])([NH2+]Cc1cccc(F)c1[O-])c1ccncc1 ZINC001604091863 1070210019 /nfs/dbraw/zinc/21/00/19/1070210019.db2.gz XYLCLIOZUIWJGA-INIZCTEOSA-N -1 0 304.321 2.406 20 10 DECDRM CN(C)c1ccc(CN(c2cnc(C(=O)[O-])cn2)C2CC2)cc1 ZINC001606054104 1071031027 /nfs/dbraw/zinc/03/10/27/1071031027.db2.gz MZLIIKXBMQEFHF-UHFFFAOYSA-N -1 0 312.373 2.410 20 10 DECDRM COc1ncccc1C(=O)CSc1ncc(C(=O)[O-])s1 ZINC001607360752 1071422982 /nfs/dbraw/zinc/42/29/82/1071422982.db2.gz IWQNWMLAXZRQDW-UHFFFAOYSA-N -1 0 310.356 2.220 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC001621417479 1078173910 /nfs/dbraw/zinc/17/39/10/1078173910.db2.gz HXXXRTPKTVKHMS-DJLDLDEBSA-N -1 0 300.761 2.282 20 10 DECDRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC001621417480 1078174097 /nfs/dbraw/zinc/17/40/97/1078174097.db2.gz HXXXRTPKTVKHMS-XHNCKOQMSA-N -1 0 300.761 2.282 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)c1cncc2[nH]cnc21 ZINC001640405030 1078658942 /nfs/dbraw/zinc/65/89/42/1078658942.db2.gz KTZPNGISLXNMEA-UHFFFAOYSA-N -1 0 302.721 2.247 20 10 DECDRM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001601794891 1068662629 /nfs/dbraw/zinc/66/26/29/1068662629.db2.gz UGLGHBDTOYGMMD-KWQFWETISA-N -1 0 314.179 2.498 20 10 DECDRM C/C(=C/C(=O)N1CCc2c1cccc2C(=O)[O-])c1cnccn1 ZINC001573386778 1068989572 /nfs/dbraw/zinc/98/95/72/1068989572.db2.gz YBYPXDXFSTYXIO-LUAWRHEFSA-N -1 0 309.325 2.167 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001600464694 1077206419 /nfs/dbraw/zinc/20/64/19/1077206419.db2.gz IXTGZLOYZUNDSN-GFCCVEGCSA-N -1 0 306.362 2.001 20 10 DECDRM O=C([O-])C1=CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001601541020 1077409493 /nfs/dbraw/zinc/40/94/93/1077409493.db2.gz APJLYWRRJACSJQ-SNVBAGLBSA-N -1 0 310.737 2.018 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001601674495 1077430220 /nfs/dbraw/zinc/43/02/20/1077430220.db2.gz IGKPESDVNDSCMI-OAHLLOKOSA-N -1 0 317.316 2.382 20 10 DECDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C1=CC(=O)CS1 ZINC001601869163 1077466463 /nfs/dbraw/zinc/46/64/63/1077466463.db2.gz YSCVDVYZYNJNFU-CYBMUJFWSA-N -1 0 303.339 2.278 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC001601880655 1077469023 /nfs/dbraw/zinc/46/90/23/1077469023.db2.gz FJNVHMUCXXLQRW-TZHGZGNQSA-N -1 0 318.329 2.042 20 10 DECDRM O=C([O-])CCc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001602044930 1077498657 /nfs/dbraw/zinc/49/86/57/1077498657.db2.gz BMPHNXCESMERLZ-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM NC(=O)c1csc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC001652841150 1079900768 /nfs/dbraw/zinc/90/07/68/1079900768.db2.gz IKZHCRFCTNFVMW-UHFFFAOYSA-N -1 0 315.757 2.030 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001235306290 1084380102 /nfs/dbraw/zinc/38/01/02/1084380102.db2.gz SQSHSTZXTZSSDS-WDEREUQCSA-N -1 0 302.143 2.267 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804668 1138794368 /nfs/dbraw/zinc/79/43/68/1138794368.db2.gz DUVCNISJUKHXTM-ZDUSSCGKSA-N -1 0 305.708 2.272 20 10 DECDRM COc1cc(OC)cc(-c2nnc(-c3cc([O-])[nH]c(=O)c3)o2)c1 ZINC001253822614 1142958840 /nfs/dbraw/zinc/95/88/40/1142958840.db2.gz LBEYJKULUJJFPW-UHFFFAOYSA-N -1 0 315.285 2.227 20 10 DECDRM CC(C)C[C@@H](CNC(=O)NCc1c(O)cccc1F)C(=O)[O-] ZINC001339876878 1143154665 /nfs/dbraw/zinc/15/46/65/1143154665.db2.gz PKNZQCIBAZUIDH-JTQLQIEISA-N -1 0 312.341 2.077 20 10 DECDRM COc1ccc(CS(=O)(=O)Nc2cccc(O)c2O)cc1 ZINC001259899598 1144155583 /nfs/dbraw/zinc/15/55/83/1144155583.db2.gz XVZYCTPXQRDEMH-UHFFFAOYSA-N -1 0 309.343 2.048 20 10 DECDRM COCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001259972036 1144165928 /nfs/dbraw/zinc/16/59/28/1144165928.db2.gz KHHNWBUHTSUGGU-UHFFFAOYSA-N -1 0 317.366 2.286 20 10 DECDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001260111103 1144178777 /nfs/dbraw/zinc/17/87/77/1144178777.db2.gz IPUZZCBFQQDAAS-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177159382 402376239 /nfs/dbraw/zinc/37/62/39/402376239.db2.gz YPKLTBBAZMWQHE-LLVKDONJSA-N -1 0 324.808 2.206 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294377494 403717666 /nfs/dbraw/zinc/71/76/66/403717666.db2.gz UQJSBRGWWDBCJM-ZDUSSCGKSA-N -1 0 305.708 2.272 20 10 DECDRM C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])CCS1(=O)=O ZINC000192051357 287594230 /nfs/dbraw/zinc/59/42/30/287594230.db2.gz VDBLTKKEMZQDAZ-SNVBAGLBSA-N -1 0 303.811 2.055 20 10 DECDRM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(Cl)c1[O-] ZINC000180255801 521647210 /nfs/dbraw/zinc/64/72/10/521647210.db2.gz IPMOLWDRFWKRTE-SNVBAGLBSA-N -1 0 305.827 2.301 20 10 DECDRM CN(C[C@H]1CCCO1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000314736666 599954426 /nfs/dbraw/zinc/95/44/26/599954426.db2.gz BGOFZCJPRKVXIP-SMYYYNMVSA-N -1 0 306.318 2.308 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C(C)(C)NC(=O)[O-])cc1 ZINC000737088249 600156629 /nfs/dbraw/zinc/15/66/29/600156629.db2.gz HZEGCSRGHIYFSL-UHFFFAOYSA-N -1 0 307.394 2.195 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000830831248 601243130 /nfs/dbraw/zinc/24/31/30/601243130.db2.gz VRSJKKMRHXAYIB-UHFFFAOYSA-N -1 0 313.357 2.118 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)/C=C\C2CC2)NC(=O)[O-])cc1 ZINC000828063784 603025943 /nfs/dbraw/zinc/02/59/43/603025943.db2.gz IJUFVEQWLJKYIL-ANOSYLROSA-N -1 0 317.389 2.144 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000828355635 603432589 /nfs/dbraw/zinc/43/25/89/603432589.db2.gz OAHIOLABSAMQGS-KBPBESRZSA-N -1 0 319.405 2.147 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828400382 603490140 /nfs/dbraw/zinc/49/01/40/603490140.db2.gz ZEJVACIYTKEEEI-DGCLKSJQSA-N -1 0 306.362 2.177 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000829484151 603569914 /nfs/dbraw/zinc/56/99/14/603569914.db2.gz PUCFIBOCYXNKAF-DCAQKATOSA-N -1 0 322.361 2.014 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832887873 604685909 /nfs/dbraw/zinc/68/59/09/604685909.db2.gz AGSHVTCMLFOGGV-HNNXBMFYSA-N -1 0 319.405 2.210 20 10 DECDRM O=C([O-])c1occc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000833094121 604765933 /nfs/dbraw/zinc/76/59/33/604765933.db2.gz FTEXPJKWVZJKAB-DUXPYHPUSA-N -1 0 304.254 2.146 20 10 DECDRM Cc1cc(CN2CCCc3cc(CNC(=O)[O-])ccc32)nn1C ZINC000830035924 605278074 /nfs/dbraw/zinc/27/80/74/605278074.db2.gz HEVCZMSXBRPMOG-UHFFFAOYSA-N -1 0 314.389 2.449 20 10 DECDRM COC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)O1 ZINC000784668005 625829333 /nfs/dbraw/zinc/82/93/33/625829333.db2.gz NNPVSQIVYHQEBV-BXKDBHETSA-N -1 0 303.761 2.420 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(F)c(F)c1 ZINC000726876589 636480288 /nfs/dbraw/zinc/48/02/88/636480288.db2.gz WQXPMXBIXHTYNQ-XYOKQWHBSA-N -1 0 300.264 2.426 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000923973595 636757765 /nfs/dbraw/zinc/75/77/65/636757765.db2.gz QSPYBRKSPLADHP-ZETOZRRWSA-N -1 0 308.353 2.288 20 10 DECDRM CC(C)OC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000894483922 637062354 /nfs/dbraw/zinc/06/23/54/637062354.db2.gz MFIVMCQYAQIFCA-ZDUSSCGKSA-N -1 0 301.333 2.296 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)[S@@]1=O ZINC000894747014 637189049 /nfs/dbraw/zinc/18/90/49/637189049.db2.gz GZAPCWDZMKKIPM-HYQGUANPSA-N -1 0 303.374 2.402 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839156867 637794136 /nfs/dbraw/zinc/79/41/36/637794136.db2.gz JLYHEGWYTUYBCJ-ZDUSSCGKSA-N -1 0 306.189 2.018 20 10 DECDRM COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1F ZINC000728697973 639287918 /nfs/dbraw/zinc/28/79/18/639287918.db2.gz KNPTYCAMOCCSLP-UKTHLTGXSA-N -1 0 312.300 2.296 20 10 DECDRM Cc1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])sc1C(=O)[O-] ZINC000756303794 639645813 /nfs/dbraw/zinc/64/58/13/639645813.db2.gz ZGOUQZOZHCBFCX-UHFFFAOYSA-N -1 0 323.330 2.053 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCc2c[nH]nc2C1 ZINC000769469294 641245684 /nfs/dbraw/zinc/24/56/84/641245684.db2.gz VZHYRULGIUPLNS-UHFFFAOYSA-N -1 0 308.179 2.436 20 10 DECDRM CC[C@@H]1C(=O)NCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000898546169 641700044 /nfs/dbraw/zinc/70/00/44/641700044.db2.gz RSKRTTQGLBGDAS-LLVKDONJSA-N -1 0 300.761 2.285 20 10 DECDRM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)c(C)c1O ZINC000775291172 642025468 /nfs/dbraw/zinc/02/54/68/642025468.db2.gz CLSCHQXURZYGFI-UHFFFAOYSA-N -1 0 324.358 2.145 20 10 DECDRM O=C([O-])CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000780398604 642621080 /nfs/dbraw/zinc/62/10/80/642621080.db2.gz ODYRSPBCUSYAAN-UHFFFAOYSA-N -1 0 317.389 2.045 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000780575279 642644813 /nfs/dbraw/zinc/64/48/13/642644813.db2.gz AYUBETITULUFAR-HNNXBMFYSA-N -1 0 319.405 2.210 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)CC(F)(F)C2)c1[O-] ZINC000787441982 643495804 /nfs/dbraw/zinc/49/58/04/643495804.db2.gz RNQJIFMWJWHJPQ-VIFPVBQESA-N -1 0 322.695 2.156 20 10 DECDRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843329612 650950369 /nfs/dbraw/zinc/95/03/69/650950369.db2.gz JTHJNPNTPIJUBG-HNNXBMFYSA-N -1 0 305.374 2.244 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O ZINC000797820338 644927434 /nfs/dbraw/zinc/92/74/34/644927434.db2.gz SEMBURADJUDWNF-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccoc1CC(=O)[O-] ZINC000911410584 645701314 /nfs/dbraw/zinc/70/13/14/645701314.db2.gz WSYOLALGNDUYDU-UHFFFAOYSA-N -1 0 316.357 2.211 20 10 DECDRM CCCCSCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484723 645720317 /nfs/dbraw/zinc/72/03/17/645720317.db2.gz GABRPRBTZYJWTI-UHFFFAOYSA-N -1 0 311.403 2.339 20 10 DECDRM Cn1cncc1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839237 645995394 /nfs/dbraw/zinc/99/53/94/645995394.db2.gz AMFOZOFPMKBBQF-UHFFFAOYSA-N -1 0 314.172 2.291 20 10 DECDRM C[C@]1(O)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208673 651092282 /nfs/dbraw/zinc/09/22/82/651092282.db2.gz FRCYUKCJOXDWHX-NBUZRDOWSA-N -1 0 320.345 2.434 20 10 DECDRM CN(CCCCCO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210135 651092907 /nfs/dbraw/zinc/09/29/07/651092907.db2.gz RGGOJYNQXVHRPE-VURMDHGXSA-N -1 0 308.334 2.291 20 10 DECDRM CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000844210774 651093470 /nfs/dbraw/zinc/09/34/70/651093470.db2.gz HZUMBUSKPHAPCY-KXQLTZBTSA-N -1 0 320.345 2.290 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000844743942 651163918 /nfs/dbraw/zinc/16/39/18/651163918.db2.gz BHBUFDCGJGUWHM-QGZVFWFLSA-N -1 0 302.374 2.180 20 10 DECDRM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(F)cc1[O-] ZINC000848557873 651470562 /nfs/dbraw/zinc/47/05/62/651470562.db2.gz MRDILUGMMIZTMR-NOZJJQNGSA-N -1 0 306.341 2.352 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCc2n[nH]cc2C1 ZINC000857876238 652193147 /nfs/dbraw/zinc/19/31/47/652193147.db2.gz AMECOCZAZXVQMX-UHFFFAOYSA-N -1 0 308.179 2.436 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1)c1cccc2nsnc21 ZINC000037374607 683882048 /nfs/dbraw/zinc/88/20/48/683882048.db2.gz IKTMJVRSLZCIIG-UHFFFAOYSA-N -1 0 307.356 2.198 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120261254 684094291 /nfs/dbraw/zinc/09/42/91/684094291.db2.gz CXPPWUSSTCKQFY-UHFFFAOYSA-N -1 0 314.344 2.471 20 10 DECDRM C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042443 693884744 /nfs/dbraw/zinc/88/47/44/693884744.db2.gz DYJICTPAYVIGFY-DIFFPNOSSA-N -1 0 319.405 2.366 20 10 DECDRM C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042445 693885082 /nfs/dbraw/zinc/88/50/82/693885082.db2.gz DYJICTPAYVIGFY-PIGZYNQJSA-N -1 0 319.405 2.366 20 10 DECDRM COc1ccc(-n2[n-]c(C(C)=O)cc2=O)c(C(F)(F)F)c1 ZINC000871962129 688901902 /nfs/dbraw/zinc/90/19/02/688901902.db2.gz XUKBUDVLDWYGEW-UHFFFAOYSA-N -1 0 300.236 2.396 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1C ZINC000871961614 688902257 /nfs/dbraw/zinc/90/22/57/688902257.db2.gz MZVKHCXSDKVUTR-ZCFIWIBFSA-N -1 0 300.236 2.006 20 10 DECDRM CC[C@@H](C)N(CC)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872981046 689133146 /nfs/dbraw/zinc/13/31/46/689133146.db2.gz PLZFGYQZACDADO-CYBMUJFWSA-N -1 0 322.405 2.233 20 10 DECDRM O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877463337 690120432 /nfs/dbraw/zinc/12/04/32/690120432.db2.gz FSKADHVHOHKGOY-WCQYABFASA-N -1 0 311.328 2.240 20 10 DECDRM O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])Nc2cc(F)c(F)cc21 ZINC000877860187 690249502 /nfs/dbraw/zinc/24/95/02/690249502.db2.gz WXZMZOIRXMGMKI-ZDUSSCGKSA-N -1 0 321.239 2.433 20 10 DECDRM CC[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H](C)S1(=O)=O ZINC000894763074 692987141 /nfs/dbraw/zinc/98/71/41/692987141.db2.gz XOFMRTIYHDVYAB-SKDRFNHKSA-N -1 0 319.373 2.068 20 10 DECDRM Oc1ccc(F)cc1CNCc1n[nH]cc1Br ZINC000718213979 784483518 /nfs/dbraw/zinc/48/35/18/784483518.db2.gz MIQJJUWZWUPJNI-UHFFFAOYSA-N -1 0 300.131 2.307 20 10 DECDRM O=C(Nc1cccc2c1COC2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887689 791638874 /nfs/dbraw/zinc/63/88/74/791638874.db2.gz OJUSDJZRQMZAJV-UHFFFAOYSA-N -1 0 321.336 2.448 20 10 DECDRM CC(=O)c1ncccc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880852 791647242 /nfs/dbraw/zinc/64/72/42/791647242.db2.gz IODFIXSNRZQGOZ-UHFFFAOYSA-N -1 0 322.324 2.016 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001147957871 791662804 /nfs/dbraw/zinc/66/28/04/791662804.db2.gz ZMDYZRFOLJRYCV-UHFFFAOYSA-N -1 0 302.286 2.244 20 10 DECDRM O=C([O-])C[C@@H]1COCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001120002079 795386966 /nfs/dbraw/zinc/38/69/66/795386966.db2.gz QKPYVPZBCXEJGH-LDYMZIIASA-N -1 0 317.744 2.154 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC(=O)[C@@H](F)C1 ZINC001139126537 796327806 /nfs/dbraw/zinc/32/78/06/796327806.db2.gz JARPVUVUZFLBIR-ZDUSSCGKSA-N -1 0 319.332 2.310 20 10 DECDRM COC1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001161299735 798822437 /nfs/dbraw/zinc/82/24/37/798822437.db2.gz SBFAZHUBEGZBOF-UHFFFAOYSA-N -1 0 317.316 2.235 20 10 DECDRM COc1cc(O)c(CN2CCN(CC(F)F)CC2)cc1Cl ZINC001232267688 801834164 /nfs/dbraw/zinc/83/41/64/801834164.db2.gz DSPSTPMQHXFQBW-UHFFFAOYSA-N -1 0 320.767 2.437 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(C(F)(F)F)cc1O ZINC001233452274 802121655 /nfs/dbraw/zinc/12/16/55/802121655.db2.gz QEDRCSVFPMFCJU-MNOVXSKESA-N -1 0 321.270 2.496 20 10 DECDRM CC[C@H](C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001593612979 953471604 /nfs/dbraw/zinc/47/16/04/953471604.db2.gz AXTDVKZUGSQMCQ-KWQFWETISA-N -1 0 306.322 2.078 20 10 DECDRM COc1ccc(N(C)Cc2c(C(=O)[O-])cnn2C)cc1Cl ZINC001594101397 958436511 /nfs/dbraw/zinc/43/65/11/958436511.db2.gz SGGSMCSHVNVPIS-UHFFFAOYSA-N -1 0 309.753 2.417 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001341255842 962121714 /nfs/dbraw/zinc/12/17/14/962121714.db2.gz JCVKDBBXVVKJNS-SCZZXKLOSA-N -1 0 312.753 2.098 20 10 DECDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)/C=C\c1cnn(C)c1 ZINC000319848859 970580347 /nfs/dbraw/zinc/58/03/47/970580347.db2.gz NCXVAUYZPXNIDJ-FPLPWBNLSA-N -1 0 313.357 2.250 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592883393 979760406 /nfs/dbraw/zinc/76/04/06/979760406.db2.gz RTDLIVOZOPSDDD-RTXFEEFZSA-N -1 0 321.373 2.036 20 10 DECDRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001594741485 981611399 /nfs/dbraw/zinc/61/13/99/981611399.db2.gz PSKJPSSULCRQKB-OAHLLOKOSA-N -1 0 304.390 2.354 20 10 DECDRM CC(C)(CC(=O)[O-])NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001590642196 990331808 /nfs/dbraw/zinc/33/18/08/990331808.db2.gz IVLKUKCWYBLYHE-UHFFFAOYSA-N -1 0 309.343 2.296 20 10 DECDRM CN(C)c1ccc(CNC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001598318304 991314246 /nfs/dbraw/zinc/31/42/46/991314246.db2.gz WHNRWSAPKAFEFC-UHFFFAOYSA-N -1 0 317.345 2.043 20 10 DECDRM CN(Cc1cn[nH]c1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598533023 992810036 /nfs/dbraw/zinc/81/00/36/992810036.db2.gz KYGUHMUHZWOSSA-HYXAFXHYSA-N -1 0 302.290 2.052 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001599597988 993774169 /nfs/dbraw/zinc/77/41/69/993774169.db2.gz DCUKNSYGIZWQHV-AXFHLTTASA-N -1 0 322.361 2.014 20 10 DECDRM C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001604306848 1070318073 /nfs/dbraw/zinc/31/80/73/1070318073.db2.gz JWZJYSPKDAUFCX-JTQLQIEISA-N -1 0 301.346 2.270 20 10 DECDRM CCCCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC001605257977 1070661981 /nfs/dbraw/zinc/66/19/81/1070661981.db2.gz BLSICCYHXPNTKW-CRALRDPISA-N -1 0 307.346 2.261 20 10 DECDRM Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C(=O)[O-])c1 ZINC001607800092 1071561302 /nfs/dbraw/zinc/56/13/02/1071561302.db2.gz DKWXSXQEHKCHRR-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC001610720847 1078066751 /nfs/dbraw/zinc/06/67/51/1078066751.db2.gz WTROUWVSWTWZKR-SNVBAGLBSA-N -1 0 300.152 2.108 20 10 DECDRM O=C(c1nn(-c2ccccc2)cc1[O-])N1Cc2cccc(O)c2C1 ZINC001632708540 1078389293 /nfs/dbraw/zinc/38/92/93/1078389293.db2.gz AQBJTKCMCHKETP-UHFFFAOYSA-N -1 0 321.336 2.440 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C\c2cccn2C2CC2)SC1=S ZINC001327373870 1148540445 /nfs/dbraw/zinc/54/04/45/1148540445.db2.gz BCXHTOMVKULYSP-UXBLZVDNSA-N -1 0 308.384 2.109 20 10 DECDRM COCOc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001558974565 1075110075 /nfs/dbraw/zinc/11/00/75/1075110075.db2.gz YICVHHFANGAPJE-UHFFFAOYSA-N -1 0 307.277 2.472 20 10 DECDRM CCN1C(=O)C(=Cc2cccc(-c3nn[nH]n3)c2)SC1=S ZINC001590725760 1076672327 /nfs/dbraw/zinc/67/23/27/1076672327.db2.gz MUIIEHXAVJVZLE-JXMROGBWSA-N -1 0 317.399 2.088 20 10 DECDRM Cc1c(NCc2ccc(N(C)C)c(F)c2)cnn1CC(=O)[O-] ZINC001600050060 1077129500 /nfs/dbraw/zinc/12/95/00/1077129500.db2.gz AWAUYRMQGVYLSO-UHFFFAOYSA-N -1 0 306.341 2.093 20 10 DECDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2ccccc2O)n1 ZINC001600104590 1077137687 /nfs/dbraw/zinc/13/76/87/1077137687.db2.gz VVLXMWZVGJMXHY-UHFFFAOYSA-N -1 0 317.301 2.338 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001600391920 1077192579 /nfs/dbraw/zinc/19/25/79/1077192579.db2.gz VUKVNCSXMXBEBC-FVQHAEBGSA-N -1 0 324.380 2.497 20 10 DECDRM Cc1ocnc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600861654 1077291022 /nfs/dbraw/zinc/29/10/22/1077291022.db2.gz NLXMPAXUSVZTOH-UHFFFAOYSA-N -1 0 324.720 2.069 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001601155344 1077349181 /nfs/dbraw/zinc/34/91/81/1077349181.db2.gz HJNLLUHJQJZEAG-NSHDSACASA-N -1 0 318.333 2.080 20 10 DECDRM O=C([O-])[C@H](CNC(=O)c1cccc(O)c1O)CC1CCCC1 ZINC001601458070 1077397422 /nfs/dbraw/zinc/39/74/22/1077397422.db2.gz GNMQKXGFNQICDF-NSHDSACASA-N -1 0 307.346 2.109 20 10 DECDRM O=C([O-])C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC001602057434 1077501669 /nfs/dbraw/zinc/50/16/69/1077501669.db2.gz BPKYOWDUUBDALM-UHFFFAOYSA-N -1 0 300.698 2.003 20 10 DECDRM O=C([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC001602276483 1077540843 /nfs/dbraw/zinc/54/08/43/1077540843.db2.gz BWXNHZMMTSELHZ-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM O=C([O-])c1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001608315826 1077625968 /nfs/dbraw/zinc/62/59/68/1077625968.db2.gz MALXAYIFONVDEZ-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])CC1(CC(=O)NCc2cc(O)ccc2O)CCCC1 ZINC001608677402 1077675460 /nfs/dbraw/zinc/67/54/60/1077675460.db2.gz RNOXODBHXPLPCT-UHFFFAOYSA-N -1 0 307.346 2.139 20 10 DECDRM O=C([O-])c1ccc2c(n1)CCCN2C(=O)/C=C\c1cccnc1 ZINC001608925518 1077722072 /nfs/dbraw/zinc/72/20/72/1077722072.db2.gz IELIXFCYECLSEE-YVMONPNESA-N -1 0 309.325 2.167 20 10 DECDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001609639889 1077892818 /nfs/dbraw/zinc/89/28/18/1077892818.db2.gz MRHAYESPFZNVLW-IINYFYTJSA-N -1 0 315.325 2.290 20 10 DECDRM CN(C(=O)/C=C/c1cccnc1)c1ccc(OCC(=O)[O-])cc1 ZINC001610089346 1077979027 /nfs/dbraw/zinc/97/90/27/1077979027.db2.gz OSRIBNOIBVJKRW-RUDMXATFSA-N -1 0 312.325 2.221 20 10 DECDRM Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(O)c1O ZINC001610484263 1078028034 /nfs/dbraw/zinc/02/80/34/1078028034.db2.gz SJPDPZKKPICAEF-NSHDSACASA-N -1 0 321.373 2.369 20 10 DECDRM [O-]c1c(Br)cc(Cl)cc1CNn1cnnc1 ZINC001651642341 1079823354 /nfs/dbraw/zinc/82/33/54/1079823354.db2.gz UQAFXQUJVPEFHJ-UHFFFAOYSA-N -1 0 303.547 2.143 20 10 DECDRM COC(=O)[C@H](C)N(C)Cc1cc(Br)c(C)cc1O ZINC001237678720 1080473230 /nfs/dbraw/zinc/47/32/30/1080473230.db2.gz LIXNDUQRVAJFMH-VIFPVBQESA-N -1 0 316.195 2.456 20 10 DECDRM COc1ccc(CN2CCN(C(=O)C3CC3)CC2)c([O-])c1Cl ZINC001236812277 1138437501 /nfs/dbraw/zinc/43/75/01/1138437501.db2.gz URSVLCQCWCOWQU-UHFFFAOYSA-N -1 0 324.808 2.108 20 10 DECDRM CCOC(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237799507 1138790933 /nfs/dbraw/zinc/79/09/33/1138790933.db2.gz QXGRKJIDAMZCLX-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001237804271 1138792053 /nfs/dbraw/zinc/79/20/53/1138792053.db2.gz BDRKIFVOOSBEAM-CYBMUJFWSA-N -1 0 314.788 2.091 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2cncnc2)CC1 ZINC001237805910 1138796669 /nfs/dbraw/zinc/79/66/69/1138796669.db2.gz PFPUCIICJNRMQC-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM O=C([O-])c1ccccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001321101984 1141052847 /nfs/dbraw/zinc/05/28/47/1141052847.db2.gz NZIMOCDEFXALSP-UHFFFAOYSA-N -1 0 316.313 2.331 20 10 DECDRM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)noc2C)ccc1O ZINC001258650175 1144031793 /nfs/dbraw/zinc/03/17/93/1144031793.db2.gz DUBSEJCCCJAXIZ-UHFFFAOYSA-N -1 0 310.331 2.000 20 10 DECDRM O=C([O-])Cn1c(/C=C\c2cccnc2)nc2ccccc2c1=O ZINC000675725021 541376515 /nfs/dbraw/zinc/37/65/15/541376515.db2.gz SBYXAQGYYDDYDC-FPLPWBNLSA-N -1 0 307.309 2.047 20 10 DECDRM CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093050203 402011474 /nfs/dbraw/zinc/01/14/74/402011474.db2.gz OAMWCJXAPZXKQP-LLVKDONJSA-N -1 0 303.189 2.409 20 10 DECDRM C[C@H]1CCN(Cc2cccc(Cl)c2[O-])CCS1(=O)=O ZINC000192051363 402708572 /nfs/dbraw/zinc/70/85/72/402708572.db2.gz VDBLTKKEMZQDAZ-JTQLQIEISA-N -1 0 303.811 2.055 20 10 DECDRM O=C(CCNC(=O)c1cccc(O)c1O)OC1CCCCC1 ZINC000282455594 403155045 /nfs/dbraw/zinc/15/50/45/403155045.db2.gz JCYDTQMLNKFUTD-UHFFFAOYSA-N -1 0 307.346 2.094 20 10 DECDRM COC(=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000271229903 403281812 /nfs/dbraw/zinc/28/18/12/403281812.db2.gz BVSUPJBAGMYMTQ-UHFFFAOYSA-N -1 0 314.725 2.091 20 10 DECDRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000821538044 598220471 /nfs/dbraw/zinc/22/04/71/598220471.db2.gz MIBSYLUKTKMMRW-ALCCZGGFSA-N -1 0 313.309 2.377 20 10 DECDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C1=CC(=O)CS1 ZINC000830001333 600722895 /nfs/dbraw/zinc/72/28/95/600722895.db2.gz XJUHGMUWVVNMNY-SNVBAGLBSA-N -1 0 315.391 2.043 20 10 DECDRM CN(C)c1ccc(CN(c2ccc(C(=O)[O-])nn2)C2CC2)cc1 ZINC000830636135 601250180 /nfs/dbraw/zinc/25/01/80/601250180.db2.gz VXQIWHRSESAHQB-UHFFFAOYSA-N -1 0 312.373 2.410 20 10 DECDRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827248168 602089476 /nfs/dbraw/zinc/08/94/76/602089476.db2.gz VHCLFPFVASOFFX-LBPRGKRZSA-N -1 0 304.390 2.354 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)NC(=O)[O-])cc1 ZINC000828054987 603025272 /nfs/dbraw/zinc/02/52/72/603025272.db2.gz AYZDAOZBKYKGFK-OAHLLOKOSA-N -1 0 319.405 2.368 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830073311 603623458 /nfs/dbraw/zinc/62/34/58/603623458.db2.gz PXPNAGOHQQRRFL-TZMCWYRMSA-N -1 0 319.405 2.114 20 10 DECDRM CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC000828090603 603629941 /nfs/dbraw/zinc/62/99/41/603629941.db2.gz PSEDUINZDCYQNJ-UHFFFAOYSA-N -1 0 318.329 2.124 20 10 DECDRM CCC[C@@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826757407 603929347 /nfs/dbraw/zinc/92/93/47/603929347.db2.gz FVJUEBZTYPQPSN-CQSZACIVSA-N -1 0 320.389 2.324 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C2(C)CCC2)NC(=O)[O-])cc1 ZINC000828056505 603969205 /nfs/dbraw/zinc/96/92/05/603969205.db2.gz RDHSKEOUNSAGLZ-AWEZNQCLSA-N -1 0 319.405 2.368 20 10 DECDRM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833554568 604674871 /nfs/dbraw/zinc/67/48/71/604674871.db2.gz ZSVPCTOMAIDOJM-ZDUSSCGKSA-N -1 0 314.725 2.250 20 10 DECDRM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc1O ZINC000833746955 605202998 /nfs/dbraw/zinc/20/29/98/605202998.db2.gz MOKHKWBYNCHFAL-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000829483174 605522764 /nfs/dbraw/zinc/52/27/64/605522764.db2.gz FBUONWXLDOKMLP-GXFFZTMASA-N -1 0 322.361 2.111 20 10 DECDRM Cc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(O)c1O ZINC000833902982 605839723 /nfs/dbraw/zinc/83/97/23/605839723.db2.gz VALASOJDKGPTKH-UHFFFAOYSA-N -1 0 322.361 2.057 20 10 DECDRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894531806 637092788 /nfs/dbraw/zinc/09/27/88/637092788.db2.gz DIMTVRZUYRTFMJ-WFBYXXMGSA-N -1 0 311.328 2.444 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000738232274 637404972 /nfs/dbraw/zinc/40/49/72/637404972.db2.gz ZNUJWZHUXLTELT-UHFFFAOYSA-N -1 0 319.405 2.115 20 10 DECDRM CCN1C(=O)C(C)(C)N[C@@H]1c1cccc(Br)c1[O-] ZINC000840833123 650364541 /nfs/dbraw/zinc/36/45/41/650364541.db2.gz KUMZCLHEEXPZJA-NSHDSACASA-N -1 0 313.195 2.384 20 10 DECDRM O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000756339373 639651330 /nfs/dbraw/zinc/65/13/30/639651330.db2.gz MLYJTOZQEHTJIZ-CQSZACIVSA-N -1 0 320.276 2.355 20 10 DECDRM CCn1ccnc(NCc2cccc(Br)c2[O-])c1=O ZINC000764934233 640714851 /nfs/dbraw/zinc/71/48/51/640714851.db2.gz KLGNHZGWSMQOQN-UHFFFAOYSA-N -1 0 324.178 2.343 20 10 DECDRM COc1cccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000775285780 642024301 /nfs/dbraw/zinc/02/43/01/642024301.db2.gz BSNCEAOGEAXOEM-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC000843040402 650874322 /nfs/dbraw/zinc/87/43/22/650874322.db2.gz WJGTYMIZUVHOMY-UHFFFAOYSA-N -1 0 317.744 2.156 20 10 DECDRM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1nnnn1C1CC1 ZINC000791011108 643920269 /nfs/dbraw/zinc/92/02/69/643920269.db2.gz OENPVZSMBLFGRL-ZETCQYMHSA-N -1 0 311.748 2.357 20 10 DECDRM CO[C@@H]1CC[C@H]1N(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910389249 645437162 /nfs/dbraw/zinc/43/71/62/645437162.db2.gz SIIJEUJEYQGYTE-RDGOESDJSA-N -1 0 306.318 2.306 20 10 DECDRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)C(F)(F)F ZINC000911492371 645722776 /nfs/dbraw/zinc/72/27/76/645722776.db2.gz DRTHPWDVLSLMQF-SECBINFHSA-N -1 0 319.279 2.394 20 10 DECDRM O=C(C[C@@H]1COC(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835577 645995875 /nfs/dbraw/zinc/99/58/75/645995875.db2.gz HZCIQOZJLZEVFL-ZETCQYMHSA-N -1 0 318.156 2.268 20 10 DECDRM CCN1C(=O)/C(=C/c2ccc(O)c(C(=O)[O-])c2)SC1=S ZINC000809152221 646193838 /nfs/dbraw/zinc/19/38/38/646193838.db2.gz OOPWEVLUBCGVIJ-POHAHGRESA-N -1 0 309.368 2.312 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCOCC(F)(F)C2)c1[O-] ZINC000809787480 646283246 /nfs/dbraw/zinc/28/32/46/646283246.db2.gz FJVLVNSPLIBBNY-UHFFFAOYSA-N -1 0 322.695 2.421 20 10 DECDRM CC(C)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000816574288 647154299 /nfs/dbraw/zinc/15/42/99/647154299.db2.gz CAFCGBWUUUJJLL-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000821191850 648006368 /nfs/dbraw/zinc/00/63/68/648006368.db2.gz PTMRDUFIJIHMGF-UHFFFAOYSA-N -1 0 308.359 2.295 20 10 DECDRM CCS(=O)(=O)C=C([O-])c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000917952281 648043044 /nfs/dbraw/zinc/04/30/44/648043044.db2.gz MVSFUVBBDJXWCJ-UHFFFAOYSA-N -1 0 324.377 2.246 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C(C)(C)C(=O)[O-])cc1F ZINC000844252888 651099974 /nfs/dbraw/zinc/09/99/74/651099974.db2.gz MJZSKFOMNFSCOR-UHFFFAOYSA-N -1 0 310.369 2.399 20 10 DECDRM C[C@]12COC[C@@H]1CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000849348922 651655817 /nfs/dbraw/zinc/65/58/17/651655817.db2.gz VZXXBNQJCZFNLQ-JCBACFLVSA-N -1 0 318.329 2.165 20 10 DECDRM C[C@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ncnn21 ZINC000850352294 651907860 /nfs/dbraw/zinc/90/78/60/651907860.db2.gz RETKMSZOFQHARV-XVKPBYJWSA-N -1 0 323.740 2.341 20 10 DECDRM COc1ccc(N2CC[C@@H](Nc3ncccc3C(=O)[O-])C2)cc1 ZINC000852909387 652479063 /nfs/dbraw/zinc/47/90/63/652479063.db2.gz XCNRSBOPHUSWPV-GFCCVEGCSA-N -1 0 313.357 2.479 20 10 DECDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852949979 652483442 /nfs/dbraw/zinc/48/34/42/652483442.db2.gz CWPONLRIQXMRRY-SFHVURJKSA-N -1 0 316.401 2.404 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000397051693 685464088 /nfs/dbraw/zinc/46/40/88/685464088.db2.gz KZURUUSGVDVEIP-HUUCEWRRSA-N -1 0 304.390 2.212 20 10 DECDRM CCCN1CC(=O)N[C@@H]1c1cc(Br)cc(F)c1[O-] ZINC000887329778 692334760 /nfs/dbraw/zinc/33/47/60/692334760.db2.gz PAVZUTSHVXFUPT-LBPRGKRZSA-N -1 0 317.158 2.134 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H](C)S1(=O)=O ZINC000894763071 692987148 /nfs/dbraw/zinc/98/71/48/692987148.db2.gz XOFMRTIYHDVYAB-BXKDBHETSA-N -1 0 319.373 2.068 20 10 DECDRM C[C@@]1(C(=O)[O-])C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC001332029978 1149810225 /nfs/dbraw/zinc/81/02/25/1149810225.db2.gz LRUNONVWEDPYHC-CLAHSXSESA-N -1 0 317.744 2.297 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC000398727784 790290155 /nfs/dbraw/zinc/29/01/55/790290155.db2.gz FSWZSZZDYXXHIF-UWVGGRQHSA-N -1 0 324.333 2.159 20 10 DECDRM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCCC(F)(F)CC1 ZINC001147878357 791644779 /nfs/dbraw/zinc/64/47/79/791644779.db2.gz CSKMYMVHCDLSRV-UHFFFAOYSA-N -1 0 321.327 2.427 20 10 DECDRM CN(C)c1ccccc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147883519 791646429 /nfs/dbraw/zinc/64/64/29/791646429.db2.gz DSQQSINHLVSCGC-UHFFFAOYSA-N -1 0 322.368 2.484 20 10 DECDRM Cc1ccc(C(=O)[O-])cc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001174982381 794120184 /nfs/dbraw/zinc/12/01/84/794120184.db2.gz MWCMMDOHHJDTOT-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM O=C([O-])C[C@H]1COCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001120002078 795386337 /nfs/dbraw/zinc/38/63/37/795386337.db2.gz QKPYVPZBCXEJGH-KWQFWETISA-N -1 0 317.744 2.154 20 10 DECDRM O=C(Nc1cccc(N2CCC2=O)c1)c1c(F)ccc(O)c1[O-] ZINC001183333086 795858270 /nfs/dbraw/zinc/85/82/70/795858270.db2.gz JMOQUYIHBZCMJK-UHFFFAOYSA-N -1 0 316.288 2.226 20 10 DECDRM COc1ncnc2c1CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139684445 796410344 /nfs/dbraw/zinc/41/03/44/796410344.db2.gz UVEVMBRSBFLYGO-UHFFFAOYSA-N -1 0 307.300 2.027 20 10 DECDRM O=C(N1CCCC1)C12CC(C1)CN2Cc1c([O-])cc(F)cc1F ZINC001140580449 796541034 /nfs/dbraw/zinc/54/10/34/796541034.db2.gz CQRIXDPPBDYEJY-UHFFFAOYSA-N -1 0 322.355 2.257 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(=O)cc[nH]1 ZINC001141738021 796687647 /nfs/dbraw/zinc/68/76/47/796687647.db2.gz SDZRUHXNULMEMR-UHFFFAOYSA-N -1 0 313.140 2.317 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC(n2cccn2)CC1 ZINC001193612840 797593335 /nfs/dbraw/zinc/59/33/35/797593335.db2.gz UTZADWDNELIIDH-UHFFFAOYSA-N -1 0 321.764 2.425 20 10 DECDRM O=C(NCCC1CCC(O)CC1)c1cc(O)c([O-])c(Cl)c1 ZINC001193633962 797597694 /nfs/dbraw/zinc/59/76/94/797597694.db2.gz MNFCESFYZDETIF-UHFFFAOYSA-N -1 0 313.781 2.422 20 10 DECDRM O=C(NCc1cc2ccccn2n1)c1cc(O)c([O-])c(Cl)c1 ZINC001193633750 797597920 /nfs/dbraw/zinc/59/79/20/797597920.db2.gz FXQGTRGDIQCUNH-UHFFFAOYSA-N -1 0 317.732 2.329 20 10 DECDRM C[C@H]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(Cl)c3)CC[C@H]2O1 ZINC001193603099 797602121 /nfs/dbraw/zinc/60/21/21/797602121.db2.gz KGTLJDYVJCYTEH-GMOODISLSA-N -1 0 311.765 2.391 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCO[C@@H](c3ccncc3)C2)c1 ZINC001231566218 801688445 /nfs/dbraw/zinc/68/84/45/801688445.db2.gz VEQIOVFXHQVFQU-MRXNPFEDSA-N -1 0 314.341 2.059 20 10 DECDRM CC(=O)OC1CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031286 802008556 /nfs/dbraw/zinc/00/85/56/802008556.db2.gz AWERVDMKKVWOHX-UHFFFAOYSA-N -1 0 318.142 2.041 20 10 DECDRM O=C([O-])C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC001334056652 1150181326 /nfs/dbraw/zinc/18/13/26/1150181326.db2.gz RRGDFYKBLKOMIF-SSDOTTSWSA-N -1 0 313.222 2.413 20 10 DECDRM CN(C)c1ccc(CN(C(=O)[C@H](C(=O)[O-])C2CC2)C2CC2)cc1 ZINC001593708937 954169982 /nfs/dbraw/zinc/16/99/82/954169982.db2.gz LOSRONXTNKKHSO-MRXNPFEDSA-N -1 0 316.401 2.354 20 10 DECDRM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 ZINC001594919385 954796841 /nfs/dbraw/zinc/79/68/41/954796841.db2.gz VVYCDOLNFBZRJR-GXMNPTEKSA-N -1 0 309.325 2.095 20 10 DECDRM O=C([O-])CCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC001353016051 958136803 /nfs/dbraw/zinc/13/68/03/958136803.db2.gz WBAQSOCVPOXVCH-UHFFFAOYSA-N -1 0 314.769 2.490 20 10 DECDRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(O)c1O ZINC001594346576 958322458 /nfs/dbraw/zinc/32/24/58/958322458.db2.gz YHCPBWAPNYKLLD-QGZVFWFLSA-N -1 0 315.325 2.136 20 10 DECDRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-] ZINC001588650295 959758981 /nfs/dbraw/zinc/75/89/81/959758981.db2.gz GJFXQYJTWMIMCQ-LLVKDONJSA-N -1 0 309.362 2.036 20 10 DECDRM O=C([O-])c1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC001605808699 972527079 /nfs/dbraw/zinc/52/70/79/972527079.db2.gz YDTGCQVEJVGNKR-UHFFFAOYSA-N -1 0 318.304 2.229 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC001603739513 974185529 /nfs/dbraw/zinc/18/55/29/974185529.db2.gz SOYQQFQFZUIKNK-GFCCVEGCSA-N -1 0 307.394 2.195 20 10 DECDRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1O ZINC001599894812 984739697 /nfs/dbraw/zinc/73/96/97/984739697.db2.gz CLADIOGCCUKIRD-VIFPVBQESA-N -1 0 301.302 2.368 20 10 DECDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001589704116 987807732 /nfs/dbraw/zinc/80/77/32/987807732.db2.gz AIKRTOYUYGLHTE-LLVKDONJSA-N -1 0 320.349 2.468 20 10 DECDRM CN(C)c1ccc(CNCc2ncc(C(=O)[O-])s2)cc1F ZINC001598320880 991322001 /nfs/dbraw/zinc/32/20/01/991322001.db2.gz YSLTUCNZSHGLMM-UHFFFAOYSA-N -1 0 309.366 2.336 20 10 DECDRM CN(CC1(C)COC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598442770 991863320 /nfs/dbraw/zinc/86/33/20/991863320.db2.gz VWTDDKYILQZEMO-XQRVVYSFSA-N -1 0 306.318 2.165 20 10 DECDRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593072596 993630460 /nfs/dbraw/zinc/63/04/60/993630460.db2.gz SFPBAXRGTKCJJC-LALPHHSUSA-N -1 0 319.405 2.176 20 10 DECDRM COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C(=O)[O-])c1 ZINC001599596366 993753793 /nfs/dbraw/zinc/75/37/93/993753793.db2.gz UCVMUJBYOSAJDZ-UHFFFAOYSA-N -1 0 317.297 2.365 20 10 DECDRM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001599149578 998272597 /nfs/dbraw/zinc/27/25/97/998272597.db2.gz LEHUAELXVWMMOT-ZDUSSCGKSA-N -1 0 305.733 2.154 20 10 DECDRM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC001594169054 998652728 /nfs/dbraw/zinc/65/27/28/998652728.db2.gz ZTHJGEURBIGDIX-WPRPVWTQSA-N -1 0 314.179 2.450 20 10 DECDRM C[C@@H]1CCCN(C(=O)CSc2ncc(C(=O)[O-])s2)C1 ZINC001594378388 999426705 /nfs/dbraw/zinc/42/67/05/999426705.db2.gz NWXIBQNLTAPRLD-MRVPVSSYSA-N -1 0 300.405 2.192 20 10 DECDRM CC1(C)CCC[C@@](NC(=O)c2cccc(O)c2O)(C(=O)[O-])C1 ZINC001604529584 1070424358 /nfs/dbraw/zinc/42/43/58/1070424358.db2.gz CQGVMPKWUMUSHD-INIZCTEOSA-N -1 0 307.346 2.251 20 10 DECDRM CN(C)c1ccc(OCc2cn(C(C)(C)C)nn2)cc1C(=O)[O-] ZINC001606059956 1071032361 /nfs/dbraw/zinc/03/23/61/1071032361.db2.gz AHEOIPHEKSEKOF-UHFFFAOYSA-N -1 0 318.377 2.376 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)c1nccc(C(=O)[O-])n1 ZINC001606160619 1071056828 /nfs/dbraw/zinc/05/68/28/1071056828.db2.gz SYBQNESCRIKMIM-UHFFFAOYSA-N -1 0 312.373 2.411 20 10 DECDRM COc1ccc(O)c([C@H](C)Nc2nc(C)cc(C(=O)[O-])n2)c1 ZINC001607277571 1071392661 /nfs/dbraw/zinc/39/26/61/1071392661.db2.gz HSSDKDSMMDBCKC-VIFPVBQESA-N -1 0 303.318 2.371 20 10 DECDRM Cc1n[nH]c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1C ZINC001607500736 1071462169 /nfs/dbraw/zinc/46/21/69/1071462169.db2.gz WTHJCDONIYIRDP-UHFFFAOYSA-N -1 0 323.780 2.472 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001607667773 1071518623 /nfs/dbraw/zinc/51/86/23/1071518623.db2.gz SFYFCMOMDSTIEZ-IUODEOHRSA-N -1 0 319.405 2.066 20 10 DECDRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1O ZINC001607727099 1071537799 /nfs/dbraw/zinc/53/77/99/1071537799.db2.gz GQPUPXMNYAKYMB-LBPRGKRZSA-N -1 0 313.309 2.235 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1s[n-]c(=O)c1Cl ZINC001456029995 1057807814 /nfs/dbraw/zinc/80/78/14/1057807814.db2.gz PJZZKAYFIVLQMS-UHFFFAOYSA-N -1 0 302.714 2.277 20 10 DECDRM C[C@@H]1NC(=O)[C@H](C)N(Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC001621417488 1078174264 /nfs/dbraw/zinc/17/42/64/1078174264.db2.gz IDXBOFFZBQOJAG-CIUDSAMLSA-N -1 0 300.761 2.282 20 10 DECDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(N)c1 ZINC000037064652 1078199804 /nfs/dbraw/zinc/19/98/04/1078199804.db2.gz FFKRVWZDGZSNAS-UHFFFAOYSA-N -1 0 320.399 2.383 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2[nH]nc(C)c2[O-])cc1 ZINC001625015168 1078236177 /nfs/dbraw/zinc/23/61/77/1078236177.db2.gz WCJWJXDHNVHAAA-UHFFFAOYSA-N -1 0 302.378 2.200 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001574691628 1069246799 /nfs/dbraw/zinc/24/67/99/1069246799.db2.gz WICOWWWMXJLPEK-NSHDSACASA-N -1 0 314.341 2.110 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001558455496 1075094491 /nfs/dbraw/zinc/09/44/91/1075094491.db2.gz VGUFKSMMSBVCQU-UHFFFAOYSA-N -1 0 306.249 2.075 20 10 DECDRM CC(=O)N(C)c1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001620976902 1077098272 /nfs/dbraw/zinc/09/82/72/1077098272.db2.gz VMUOFWOSAASXJP-UHFFFAOYSA-N -1 0 316.317 2.290 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1ccccc1CS(C)(=O)=O ZINC001600832060 1077283361 /nfs/dbraw/zinc/28/33/61/1077283361.db2.gz KWEVOFZFEJPDID-UHFFFAOYSA-N -1 0 324.354 2.410 20 10 DECDRM Cc1oc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC001600847146 1077286840 /nfs/dbraw/zinc/28/68/40/1077286840.db2.gz PVOGDOMGJCTJRA-HWKANZROSA-N -1 0 317.297 2.027 20 10 DECDRM Cn1cccc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600978423 1077314839 /nfs/dbraw/zinc/31/48/39/1077314839.db2.gz AWPMVRIQBJEKDP-UHFFFAOYSA-N -1 0 322.748 2.111 20 10 DECDRM O=C([O-])c1cc(C2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC001602252751 1077534493 /nfs/dbraw/zinc/53/44/93/1077534493.db2.gz MDLGIURYGXKYKX-UHFFFAOYSA-N -1 0 302.330 2.458 20 10 DECDRM Cn1cnc(/C=C\C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001608133649 1077597247 /nfs/dbraw/zinc/59/72/47/1077597247.db2.gz FMSSKUNICYSAAY-SREVYHEPSA-N -1 0 311.341 2.111 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001608660917 1077672197 /nfs/dbraw/zinc/67/21/97/1077672197.db2.gz GMOJPZVDFQFZFA-OMDKTOEGSA-N -1 0 304.302 2.062 20 10 DECDRM O=C([O-])c1cccc2c1CCN2C(=O)/C=C/c1cncc(O)c1 ZINC001608940602 1077725297 /nfs/dbraw/zinc/72/52/97/1077725297.db2.gz CZRKIYIERJNCGF-SNAWJCMRSA-N -1 0 310.309 2.088 20 10 DECDRM O=C([O-])c1cnc(SC[C@@H](O)CC2(O)CCCCC2)s1 ZINC001608978594 1077731989 /nfs/dbraw/zinc/73/19/89/1077731989.db2.gz HXMFAEIDVLUFNK-VIFPVBQESA-N -1 0 317.432 2.380 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C(=O)[O-])[nH]1 ZINC001610104039 1077981083 /nfs/dbraw/zinc/98/10/83/1077981083.db2.gz MXMNZOBWIRZELU-UHFFFAOYSA-N -1 0 301.346 2.178 20 10 DECDRM [O-]c1c(C[NH2+]Cc2nnc(-c3ccccn3)[n-]2)ccc(F)c1F ZINC001664724193 1080949637 /nfs/dbraw/zinc/94/96/37/1080949637.db2.gz WZHWYUOSRGHKOQ-UHFFFAOYSA-N -1 0 317.299 2.140 20 10 DECDRM COC(=O)[C@H](C)N(C)Cc1cc(F)cc(Br)c1[O-] ZINC001235301108 1084378149 /nfs/dbraw/zinc/37/81/49/1084378149.db2.gz CSKDPEAIZWQLKR-ZETCQYMHSA-N -1 0 320.158 2.287 20 10 DECDRM O=S(=O)(NC1(CF)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387968 1142426086 /nfs/dbraw/zinc/42/60/86/1142426086.db2.gz UHQMZNJSRCORGG-UHFFFAOYSA-N -1 0 314.165 2.479 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H](F)C1 ZINC001251398696 1142426773 /nfs/dbraw/zinc/42/67/73/1142426773.db2.gz SQJARUKFEKQQJT-SSDOTTSWSA-N -1 0 314.165 2.432 20 10 DECDRM CO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000193120476 402765930 /nfs/dbraw/zinc/76/59/30/402765930.db2.gz PPXGZRHMQAUDRS-LURJTMIESA-N -1 0 314.190 2.476 20 10 DECDRM O=C([O-])CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000819473263 597295602 /nfs/dbraw/zinc/29/56/02/597295602.db2.gz IUIXVSIZLIMMAL-UHFFFAOYSA-N -1 0 318.329 2.172 20 10 DECDRM O=C([O-])Cc1ccccc1NC(=O)NCc1ccccc1O ZINC000819618457 597337447 /nfs/dbraw/zinc/33/74/47/597337447.db2.gz WZGGPWWXIJZFEA-UHFFFAOYSA-N -1 0 300.314 2.341 20 10 DECDRM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000820949218 597713368 /nfs/dbraw/zinc/71/33/68/597713368.db2.gz GFRKVWROBSAIGI-SECBINFHSA-N -1 0 314.179 2.370 20 10 DECDRM COc1cccc(CNC(=O)Nc2ccccc2C(=O)[O-])c1O ZINC000820865167 598178332 /nfs/dbraw/zinc/17/83/32/598178332.db2.gz DDDONEHMRYBCSN-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)CC1 ZINC000736800184 599852714 /nfs/dbraw/zinc/85/27/14/599852714.db2.gz XWDYYXLVXFGYMG-CVEARBPZSA-N -1 0 316.401 2.260 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)NCCCCC(=O)[O-])c1 ZINC000738041364 600109230 /nfs/dbraw/zinc/10/92/30/600109230.db2.gz IJFSNBASXMJFHZ-SNVBAGLBSA-N -1 0 310.350 2.016 20 10 DECDRM O=C([O-])CN(C(=O)/C=C\c1cncc(F)c1)c1cccc(F)c1 ZINC000833242051 601145239 /nfs/dbraw/zinc/14/52/39/601145239.db2.gz HXPOBDQPSABGIW-PLNGDYQASA-N -1 0 318.279 2.491 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)CCNC(=O)[O-])cc1 ZINC000737088940 602271468 /nfs/dbraw/zinc/27/14/68/602271468.db2.gz OHCMXSFKILEJHI-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833553686 604677196 /nfs/dbraw/zinc/67/71/96/604677196.db2.gz HOFYIZVXHCIIAP-ZDUSSCGKSA-N -1 0 314.179 2.451 20 10 DECDRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000833094394 604766130 /nfs/dbraw/zinc/76/61/30/604766130.db2.gz HEJJDPRHIORBIY-DYLHUKMJSA-N -1 0 314.293 2.480 20 10 DECDRM Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1O ZINC000148137806 604827451 /nfs/dbraw/zinc/82/74/51/604827451.db2.gz PIQXSPZGZAVNSI-UHFFFAOYSA-N -1 0 313.356 2.261 20 10 DECDRM CCCN(C(=O)C1=CC(=O)CS1)C1CCN(C(=O)[O-])CC1 ZINC000826884653 605821123 /nfs/dbraw/zinc/82/11/23/605821123.db2.gz SSLMOBCKUBLICN-UHFFFAOYSA-N -1 0 312.391 2.448 20 10 DECDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000162165369 625201406 /nfs/dbraw/zinc/20/14/06/625201406.db2.gz QCAFFTOWQFONQY-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCn2c(nnc2C(F)F)C1 ZINC000895352793 637959868 /nfs/dbraw/zinc/95/98/68/637959868.db2.gz BIRZEJNUUUWKAE-UHFFFAOYSA-N -1 0 316.258 2.215 20 10 DECDRM Cc1cc(F)ccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000750897089 638998756 /nfs/dbraw/zinc/99/87/56/638998756.db2.gz VYMUDAYQRXBTKB-YHYXMXQVSA-N -1 0 311.359 2.420 20 10 DECDRM Cc1ccccc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000753522512 639308185 /nfs/dbraw/zinc/30/81/85/639308185.db2.gz SITNJMBPZASVEG-UHFFFAOYSA-N -1 0 308.315 2.410 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000756360796 639654128 /nfs/dbraw/zinc/65/41/28/639654128.db2.gz ICLARLGNBYJFHT-AWEZNQCLSA-N -1 0 320.276 2.355 20 10 DECDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169396 639922094 /nfs/dbraw/zinc/92/20/94/639922094.db2.gz RRPPZOZLQGACFR-UHFFFAOYSA-N -1 0 313.354 2.185 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1nc(Cl)cs1 ZINC000759081959 640025775 /nfs/dbraw/zinc/02/57/75/640025775.db2.gz AQAXLWHJPGHLPB-TWGQIWQCSA-N -1 0 305.746 2.258 20 10 DECDRM Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cn1 ZINC000764889481 640710067 /nfs/dbraw/zinc/71/00/67/640710067.db2.gz YUUNLCDNTUBKCL-XFFZJAGNSA-N -1 0 322.411 2.456 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCCC[C@H]2N1 ZINC000775665821 642075723 /nfs/dbraw/zinc/07/57/23/642075723.db2.gz KRRLLEXMHFLMGX-OLZOCXBDSA-N -1 0 312.772 2.428 20 10 DECDRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775699270 642081195 /nfs/dbraw/zinc/08/11/95/642081195.db2.gz CCXXCVLKFQAUKZ-BDAKNGLRSA-N -1 0 323.817 2.438 20 10 DECDRM [O-]c1c(Br)cccc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787439076 643495941 /nfs/dbraw/zinc/49/59/41/643495941.db2.gz ZZPRXNQFMXBCFM-VIFPVBQESA-N -1 0 322.149 2.357 20 10 DECDRM O=C([O-])[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000789901934 643787014 /nfs/dbraw/zinc/78/70/14/643787014.db2.gz IGOPGLPMBAFUJI-LBPRGKRZSA-N -1 0 306.145 2.032 20 10 DECDRM C[C@@H]1CCC[C@]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])(C(=O)[O-])C1 ZINC000789902415 643787275 /nfs/dbraw/zinc/78/72/75/643787275.db2.gz NMEOFUCADNBUNN-MEBBXXQBSA-N -1 0 308.334 2.424 20 10 DECDRM C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790750300 643888153 /nfs/dbraw/zinc/88/81/53/643888153.db2.gz PLCKSLCOQSTUNC-BDAKNGLRSA-N -1 0 318.337 2.034 20 10 DECDRM CC(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000792166940 644081842 /nfs/dbraw/zinc/08/18/42/644081842.db2.gz VZDLNNUVXJHWDZ-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM CC(C)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1=O ZINC000792173859 644084111 /nfs/dbraw/zinc/08/41/11/644084111.db2.gz KTFPIWQLSPLVHF-UHFFFAOYSA-N -1 0 300.761 2.237 20 10 DECDRM COc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)c(O)c1 ZINC000794373691 644404096 /nfs/dbraw/zinc/40/40/96/644404096.db2.gz LGLJPLLJCHBYBP-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM O=C([O-])c1coc(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000910336938 645413642 /nfs/dbraw/zinc/41/36/42/645413642.db2.gz VPUOGJRUXKNYOV-GFCCVEGCSA-N -1 0 318.329 2.264 20 10 DECDRM Cc1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)sc1C ZINC000911484796 645720277 /nfs/dbraw/zinc/72/02/77/645720277.db2.gz QWYXQKXQQLOFEJ-UHFFFAOYSA-N -1 0 320.370 2.193 20 10 DECDRM C[C@H]1CC[C@@H](CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)O1 ZINC000911486492 645721171 /nfs/dbraw/zinc/72/11/71/645721171.db2.gz OIQOOHBRVAOGBB-JSGCOSHPSA-N -1 0 321.373 2.153 20 10 DECDRM CCc1c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)ccn1C ZINC000911488223 645721624 /nfs/dbraw/zinc/72/16/24/645721624.db2.gz ICVMGOFDSNIBAR-UHFFFAOYSA-N -1 0 316.357 2.020 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000911493785 645723224 /nfs/dbraw/zinc/72/32/24/645723224.db2.gz NZVNHEWKKWSYKO-VNHYZAJKSA-N -1 0 315.369 2.408 20 10 DECDRM CCc1occc1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911494667 645723284 /nfs/dbraw/zinc/72/32/84/645723284.db2.gz VVDYCZRLMFZRPH-UHFFFAOYSA-N -1 0 303.314 2.275 20 10 DECDRM CO[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)C1CCCC1 ZINC000911494205 645723353 /nfs/dbraw/zinc/72/33/53/645723353.db2.gz TUKGNGKAUHFOLE-INIZCTEOSA-N -1 0 321.373 2.011 20 10 DECDRM COC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840567 645994824 /nfs/dbraw/zinc/99/48/24/645994824.db2.gz DUJOENWZNMBFHJ-LURJTMIESA-N -1 0 321.160 2.060 20 10 DECDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000163901574 646407385 /nfs/dbraw/zinc/40/73/85/646407385.db2.gz VYSLFRQENROXIG-UHFFFAOYSA-N -1 0 307.306 2.471 20 10 DECDRM O=C(C1CC1)[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816601118 647156925 /nfs/dbraw/zinc/15/69/25/647156925.db2.gz SCKYIEZXZFMYSD-AWEZNQCLSA-N -1 0 313.756 2.365 20 10 DECDRM C[C@@H](NCC(F)(F)CN)c1ccc(Br)cc1O ZINC000817966806 647395989 /nfs/dbraw/zinc/39/59/89/647395989.db2.gz VWMFGFYCFDNCIN-SSDOTTSWSA-N -1 0 309.154 2.399 20 10 DECDRM Cc1nnc(NNC(=S)Nc2cccc(C(C)C)c2)[n-]c1=O ZINC000917573559 648015091 /nfs/dbraw/zinc/01/50/91/648015091.db2.gz FJERITQYVCEPER-UHFFFAOYSA-N -1 0 318.406 2.323 20 10 DECDRM O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(O)c1O ZINC000830468452 649449278 /nfs/dbraw/zinc/44/92/78/649449278.db2.gz NDKHSAXXDFQEJD-KWQFWETISA-N -1 0 319.279 2.328 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000844743941 651163844 /nfs/dbraw/zinc/16/38/44/651163844.db2.gz BHBUFDCGJGUWHM-KRWDZBQOSA-N -1 0 302.374 2.180 20 10 DECDRM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000844939016 651185529 /nfs/dbraw/zinc/18/55/29/651185529.db2.gz YGNPQWHKYUORKV-SNVBAGLBSA-N -1 0 302.168 2.450 20 10 DECDRM CN(CC1=CCCOC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000849348430 651655553 /nfs/dbraw/zinc/65/55/53/651655553.db2.gz NZUKIFDBNJTKBY-ALCCZGGFSA-N -1 0 318.329 2.476 20 10 DECDRM O=C(Nc1ccn(C2CCOCC2)n1)c1c(F)ccc(O)c1[O-] ZINC000857327198 652106135 /nfs/dbraw/zinc/10/61/35/652106135.db2.gz UCCMASYXIDUIEX-UHFFFAOYSA-N -1 0 321.308 2.037 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)[O-])CCC1 ZINC000852942959 652481608 /nfs/dbraw/zinc/48/16/08/652481608.db2.gz OYEOLQYDBKNMHP-UHFFFAOYSA-N -1 0 304.390 2.356 20 10 DECDRM CC[C@H](NC(C)=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000868357028 687988405 /nfs/dbraw/zinc/98/84/05/687988405.db2.gz LRCUWDNAASDOHA-NSHDSACASA-N -1 0 319.188 2.230 20 10 DECDRM CC[C@H](C)[C@H](C)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872909336 689117507 /nfs/dbraw/zinc/11/75/07/689117507.db2.gz KEWRRQLNBIOQHA-STQMWFEESA-N -1 0 322.405 2.137 20 10 DECDRM CC(=O)c1cc(F)cc(CN[C@@]2(C)CC(C)(C)OC2=O)c1O ZINC000930876038 694260697 /nfs/dbraw/zinc/26/06/97/694260697.db2.gz MIEWFILUNGNLKC-INIZCTEOSA-N -1 0 309.337 2.308 20 10 DECDRM O=C([O-])[C@@H](CCF)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001332018527 1149808841 /nfs/dbraw/zinc/80/88/41/1149808841.db2.gz ZVHAGRVDMJLEKU-SECBINFHSA-N -1 0 324.121 2.196 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001213096463 777637282 /nfs/dbraw/zinc/63/72/82/777637282.db2.gz KTKGZIFZGXUNKB-UHFFFAOYSA-N -1 0 308.359 2.092 20 10 DECDRM CCOC(=O)[C@@H](C)NCc1cc(Br)cc(F)c1[O-] ZINC000715747078 792510223 /nfs/dbraw/zinc/51/02/23/792510223.db2.gz WWDGELADOBHASU-SSDOTTSWSA-N -1 0 320.158 2.335 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(Cc2ccncc2)CC1 ZINC001139684373 794898132 /nfs/dbraw/zinc/89/81/32/794898132.db2.gz TXOWLVQVBMNBGQ-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)c(C)cc1O ZINC001190173736 796953284 /nfs/dbraw/zinc/95/32/84/796953284.db2.gz QXJIKBXDFODAMR-UHFFFAOYSA-N -1 0 314.313 2.483 20 10 DECDRM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC001193474652 797571211 /nfs/dbraw/zinc/57/12/11/797571211.db2.gz FQKPKYCHOUSABM-OAHLLOKOSA-N -1 0 315.373 2.491 20 10 DECDRM Cn1nnc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)ccc21 ZINC001193624615 797595685 /nfs/dbraw/zinc/59/56/85/797595685.db2.gz GTQKFNROYZHKSZ-UHFFFAOYSA-N -1 0 318.720 2.285 20 10 DECDRM O=C(NC[C@H](O)C1CCCCC1)c1cc(O)c([O-])c(Cl)c1 ZINC001193633748 797597380 /nfs/dbraw/zinc/59/73/80/797597380.db2.gz FUMFLALPEPJLJQ-ZDUSSCGKSA-N -1 0 313.781 2.422 20 10 DECDRM Cc1cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)n(CCF)n1 ZINC001193605821 797601749 /nfs/dbraw/zinc/60/17/49/797601749.db2.gz LHOPUEDTZXMNGR-UHFFFAOYSA-N -1 0 313.716 2.478 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@H](C)C2CC2)c1[O-] ZINC001227620893 803262248 /nfs/dbraw/zinc/26/22/48/803262248.db2.gz WMWXHHFSJKRGGY-ZCFIWIBFSA-N -1 0 300.332 2.204 20 10 DECDRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001602796850 971564418 /nfs/dbraw/zinc/56/44/18/971564418.db2.gz JEKWEYKRLPLJMG-LLVKDONJSA-N -1 0 303.314 2.235 20 10 DECDRM O=C([O-])c1ncccc1NC(=O)NCc1cccc(Cl)c1O ZINC001605806424 972517527 /nfs/dbraw/zinc/51/75/27/972517527.db2.gz DLURMOXBDUCCAG-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM CC[C@H](C)N(CCO)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594983789 982788729 /nfs/dbraw/zinc/78/87/29/982788729.db2.gz NYSHTWAMZAWZEG-ZRQQLDRUSA-N -1 0 308.334 2.290 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001599597989 993774093 /nfs/dbraw/zinc/77/40/93/993774093.db2.gz DCUKNSYGIZWQHV-MXWKQRLJSA-N -1 0 322.361 2.014 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599598945 993787663 /nfs/dbraw/zinc/78/76/63/993787663.db2.gz WGROKXUEXPSOSS-QMMMGPOBSA-N -1 0 319.313 2.491 20 10 DECDRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(N(C)C)cc1 ZINC001593149253 993953571 /nfs/dbraw/zinc/95/35/71/993953571.db2.gz HLFDLQKYRVAMEF-NSHDSACASA-N -1 0 313.357 2.337 20 10 DECDRM CC1(C)C[C@@H](O)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604518487 1070419604 /nfs/dbraw/zinc/41/96/04/1070419604.db2.gz ILYAOLVKIQQMFV-FVOPLDGLSA-N -1 0 320.345 2.290 20 10 DECDRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c(O)c1O ZINC001607729904 1071540128 /nfs/dbraw/zinc/54/01/28/1071540128.db2.gz IWLGGSWUBBBAEB-GFCCVEGCSA-N -1 0 307.346 2.170 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ncccn3)CCC2)c1 ZINC001474248705 1060836827 /nfs/dbraw/zinc/83/68/27/1060836827.db2.gz UVTXCUXFQYWOTO-UHFFFAOYSA-N -1 0 300.318 2.259 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600236698 1077167757 /nfs/dbraw/zinc/16/77/57/1077167757.db2.gz KVJPGRYXNZBDHG-AEGPPILISA-N -1 0 318.417 2.219 20 10 DECDRM Cc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(O)c1O ZINC001600339154 1077183183 /nfs/dbraw/zinc/18/31/83/1077183183.db2.gz QSEDGEMRJZDASW-ZDUSSCGKSA-N -1 0 315.325 2.004 20 10 DECDRM O=C([O-])CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC001601926427 1077477020 /nfs/dbraw/zinc/47/70/20/1077477020.db2.gz PSWDPXDUHNVNCP-GQCTYLIASA-N -1 0 305.330 2.015 20 10 DECDRM O=C([O-])COc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC001602093232 1077504702 /nfs/dbraw/zinc/50/47/02/1077504702.db2.gz LNALYIVMFWFKHT-UHFFFAOYSA-N -1 0 316.313 2.177 20 10 DECDRM O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001608533249 1077651812 /nfs/dbraw/zinc/65/18/12/1077651812.db2.gz WIBVOHOOSPPNLW-PWSUYJOCSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)c1cccc(O)c1O ZINC001609014260 1077740886 /nfs/dbraw/zinc/74/08/86/1077740886.db2.gz YTHBZIJXOYKODC-CYBMUJFWSA-N -1 0 320.272 2.090 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ccn(CCO)n1 ZINC001655896385 1080024242 /nfs/dbraw/zinc/02/42/42/1080024242.db2.gz BPTIHGULDVQEIB-UHFFFAOYSA-N -1 0 302.161 2.500 20 10 DECDRM CN(C)c1n[nH]c(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001657169290 1080161868 /nfs/dbraw/zinc/16/18/68/1080161868.db2.gz PABSCEOIBMGKDF-UHFFFAOYSA-N -1 0 316.192 2.173 20 10 DECDRM CC(C)[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC000715765114 1085823663 /nfs/dbraw/zinc/82/36/63/1085823663.db2.gz ZDRIEEJJPLSJLX-JTQLQIEISA-N -1 0 320.158 2.493 20 10 DECDRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1F ZINC001319692446 1140667878 /nfs/dbraw/zinc/66/78/78/1140667878.db2.gz VXTXICMUDONMSW-UKTHLTGXSA-N -1 0 312.300 2.296 20 10 DECDRM O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(O)c1[O-] ZINC001251027739 1142369518 /nfs/dbraw/zinc/36/95/18/1142369518.db2.gz WJQJFXANLOXAJC-UHFFFAOYSA-N -1 0 315.241 2.278 20 10 DECDRM CC(C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC001252421886 1142709253 /nfs/dbraw/zinc/70/92/53/1142709253.db2.gz YKQVNTBJGQLFFM-QMMMGPOBSA-N -1 0 316.448 2.122 20 10 DECDRM Cc1cc(O)cc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260441336 1144187274 /nfs/dbraw/zinc/18/72/74/1144187274.db2.gz CSGODVHDJOJEPU-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM CN(C)c1ncc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001262158712 1144296652 /nfs/dbraw/zinc/29/66/52/1144296652.db2.gz VGUUIEJXFYQLFQ-UHFFFAOYSA-N -1 0 321.402 2.309 20 10 DECDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1O ZINC001302538202 1147312799 /nfs/dbraw/zinc/31/27/99/1147312799.db2.gz JZUBGTPJGCNYKG-VIFPVBQESA-N -1 0 302.286 2.497 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000273550469 130135621 /nfs/dbraw/zinc/13/56/21/130135621.db2.gz FVWAOJHCXNRLQM-MNOVXSKESA-N -1 0 303.362 2.324 20 10 DECDRM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000132399641 401866866 /nfs/dbraw/zinc/86/68/66/401866866.db2.gz KBZYJMXSUIDAPY-SNVBAGLBSA-N -1 0 324.229 2.318 20 10 DECDRM CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000185014937 402317369 /nfs/dbraw/zinc/31/73/69/402317369.db2.gz VYSORNVTOGNMNG-CQSZACIVSA-N -1 0 315.373 2.472 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000818197383 597508811 /nfs/dbraw/zinc/50/88/11/597508811.db2.gz JTNHKDFYGSLVKH-AWEZNQCLSA-N -1 0 319.405 2.149 20 10 DECDRM CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(=O)[O-] ZINC000043431575 598193806 /nfs/dbraw/zinc/19/38/06/598193806.db2.gz SSTBTHKKROABFV-SNVBAGLBSA-N -1 0 302.168 2.354 20 10 DECDRM CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000737076574 600025478 /nfs/dbraw/zinc/02/54/78/600025478.db2.gz VJZPRZUVWPESDX-UHFFFAOYSA-N -1 0 301.346 2.036 20 10 DECDRM Cc1cccc(C[C@@H](CNC(=O)C2=CC(=O)CS2)C(=O)[O-])c1 ZINC000738710938 600364412 /nfs/dbraw/zinc/36/44/12/600364412.db2.gz BSOSSBDGRRJFKK-LBPRGKRZSA-N -1 0 319.382 2.435 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000737377031 600662662 /nfs/dbraw/zinc/66/26/62/600662662.db2.gz IQWLTKMFVOKJQO-STQMWFEESA-N -1 0 322.380 2.399 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832425331 601210757 /nfs/dbraw/zinc/21/07/57/601210757.db2.gz UXHSPAGUVXKKHP-QJPTWQEYSA-N -1 0 321.373 2.469 20 10 DECDRM O=C([O-])c1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c[nH]1 ZINC000833361108 601790771 /nfs/dbraw/zinc/79/07/71/601790771.db2.gz ORXCQOSMOCJXLS-XFFZJAGNSA-N -1 0 305.359 2.169 20 10 DECDRM CS/C=C\C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000829716446 603595542 /nfs/dbraw/zinc/59/55/42/603595542.db2.gz IDOATIFWLKSUJT-LJTDUEICSA-N -1 0 323.418 2.054 20 10 DECDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000824137330 604412455 /nfs/dbraw/zinc/41/24/55/604412455.db2.gz QJBOFVFVIJAPFB-HNNXBMFYSA-N -1 0 320.389 2.179 20 10 DECDRM O=C([O-])c1csc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000833145285 604527237 /nfs/dbraw/zinc/52/72/37/604527237.db2.gz BNOKADDNANVCKL-UHFFFAOYSA-N -1 0 322.342 2.222 20 10 DECDRM O=C([O-])Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000833287157 605438460 /nfs/dbraw/zinc/43/84/60/605438460.db2.gz CQBFBTQQTBPWKK-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000834254832 605546640 /nfs/dbraw/zinc/54/66/40/605546640.db2.gz CUJMLJGBRGWBBY-UHFFFAOYSA-N -1 0 302.286 2.118 20 10 DECDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000833830223 606074417 /nfs/dbraw/zinc/07/44/17/606074417.db2.gz MHVASDCLGLVUGZ-LRDDRELGSA-N -1 0 306.362 2.225 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000314225832 625779048 /nfs/dbraw/zinc/77/90/48/625779048.db2.gz BOSCWNTVFYWCEI-LQKZOZGNSA-N -1 0 306.318 2.306 20 10 DECDRM CCCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893920664 636065493 /nfs/dbraw/zinc/06/54/93/636065493.db2.gz WQGAOAFVKOARHI-UHFFFAOYSA-N -1 0 312.360 2.409 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCN(Cc2ccncc2)CC1 ZINC000894423605 637032013 /nfs/dbraw/zinc/03/20/13/637032013.db2.gz YCOVLIRSXXKTLX-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CCO[C@H](CF)C1 ZINC000894987444 637361693 /nfs/dbraw/zinc/36/16/93/637361693.db2.gz RBHCLNZNANJVHR-SNVBAGLBSA-N -1 0 322.149 2.464 20 10 DECDRM CCOCCOC1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000838992296 637741398 /nfs/dbraw/zinc/74/13/98/637741398.db2.gz OCUDEKCYTPTUGV-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000840988764 650401506 /nfs/dbraw/zinc/40/15/06/650401506.db2.gz MACHEGPAMATNLC-GFCCVEGCSA-N -1 0 319.405 2.320 20 10 DECDRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988346 650401544 /nfs/dbraw/zinc/40/15/44/650401544.db2.gz GFBHAONZZWBDFL-OCCSQVGLSA-N -1 0 319.405 2.320 20 10 DECDRM Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000758062384 639911455 /nfs/dbraw/zinc/91/14/55/639911455.db2.gz JXUJUNOJUFFWTL-GDNBJRDFSA-N -1 0 323.308 2.365 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCc3c[nH]nc3C2)c1[O-] ZINC000769468186 641245607 /nfs/dbraw/zinc/24/56/07/641245607.db2.gz BFDLHYXKTDFMNY-UHFFFAOYSA-N -1 0 308.725 2.235 20 10 DECDRM CCn1nccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000769866544 641302297 /nfs/dbraw/zinc/30/22/97/641302297.db2.gz WBPBPKULQLPOJZ-UHFFFAOYSA-N -1 0 301.755 2.063 20 10 DECDRM O=C([O-])c1coc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000899341847 642039128 /nfs/dbraw/zinc/03/91/28/642039128.db2.gz LAXZPQAWUBCPFN-YRNVUSSQSA-N -1 0 306.343 2.434 20 10 DECDRM CCc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000790417467 643849834 /nfs/dbraw/zinc/84/98/34/643849834.db2.gz KIKOCVDSLLWHGN-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM CN(Cc1c([O-])ccc(Cl)c1F)CC(C)(C)S(C)(=O)=O ZINC000792169956 644083476 /nfs/dbraw/zinc/08/34/76/644083476.db2.gz OFVWPWRXDKZQQZ-UHFFFAOYSA-N -1 0 323.817 2.440 20 10 DECDRM O=C([O-])CSCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000911451099 645714948 /nfs/dbraw/zinc/71/49/48/645714948.db2.gz IXXFHVSPOLMLFJ-UHFFFAOYSA-N -1 0 323.414 2.095 20 10 DECDRM Cc1cc(C([O-])=CS(C)(=O)=O)c(C)n1-c1cccc(F)c1 ZINC000915362461 647525247 /nfs/dbraw/zinc/52/52/47/647525247.db2.gz UKHJBYZLYJSLFD-UHFFFAOYSA-N -1 0 309.362 2.461 20 10 DECDRM CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826952902 648951794 /nfs/dbraw/zinc/95/17/94/648951794.db2.gz WPOYFKXUKAEUDJ-CQSZACIVSA-N -1 0 303.761 2.158 20 10 DECDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000844661353 651152255 /nfs/dbraw/zinc/15/22/55/651152255.db2.gz YEZBPOBOXILKHO-LBPRGKRZSA-N -1 0 319.354 2.005 20 10 DECDRM Cc1nccn1CCCN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279413 651319979 /nfs/dbraw/zinc/31/99/79/651319979.db2.gz CSLYTSUENCYZAW-UHFFFAOYSA-N -1 0 303.362 2.181 20 10 DECDRM O=C([O-])C1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000852941870 652481709 /nfs/dbraw/zinc/48/17/09/652481709.db2.gz AYWCAYIEUYQILL-UHFFFAOYSA-N -1 0 303.358 2.142 20 10 DECDRM COc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)c(O)c1 ZINC000852942253 652481762 /nfs/dbraw/zinc/48/17/62/652481762.db2.gz HADBQYLQOOBGEW-UHFFFAOYSA-N -1 0 321.373 2.442 20 10 DECDRM CC[C@H](C)CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000853011711 652488890 /nfs/dbraw/zinc/48/88/90/652488890.db2.gz ZAVDSNRGOUMHIK-ZDUSSCGKSA-N -1 0 322.405 2.139 20 10 DECDRM CN(CC(=O)[N-]OCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000093210845 684048246 /nfs/dbraw/zinc/04/82/46/684048246.db2.gz YTNBYUXQHJRWHB-UHFFFAOYSA-N -1 0 314.341 2.100 20 10 DECDRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000872857410 689107475 /nfs/dbraw/zinc/10/74/75/689107475.db2.gz DLRSYUNNNPICOW-NILFDRSVSA-N -1 0 304.390 2.431 20 10 DECDRM CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)c(F)c3[O-])[C@H]2C1 ZINC000876815483 689945286 /nfs/dbraw/zinc/94/52/86/689945286.db2.gz YQQWESXIXYBGQQ-XBFCOCLRSA-N -1 0 313.344 2.439 20 10 DECDRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000877464201 690120421 /nfs/dbraw/zinc/12/04/21/690120421.db2.gz HYLCBXLJOOOZJB-CHIMOYNISA-N -1 0 311.328 2.444 20 10 DECDRM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877463338 690120448 /nfs/dbraw/zinc/12/04/48/690120448.db2.gz FSKADHVHOHKGOY-YPMHNXCESA-N -1 0 311.328 2.240 20 10 DECDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000882712539 691345719 /nfs/dbraw/zinc/34/57/19/691345719.db2.gz AJHXUYMMZXLZNY-UHFFFAOYSA-N -1 0 315.782 2.142 20 10 DECDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120676772 795511234 /nfs/dbraw/zinc/51/12/34/795511234.db2.gz CALQFFXAANLWPQ-INIZCTEOSA-N -1 0 305.378 2.055 20 10 DECDRM CN1Cc2ccccc2[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC001184152014 795997672 /nfs/dbraw/zinc/99/76/72/795997672.db2.gz CTLOCIRBGAXOKZ-ZDUSSCGKSA-N -1 0 316.332 2.153 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)C(F)(F)C1 ZINC001139131649 796330035 /nfs/dbraw/zinc/33/00/35/796330035.db2.gz QSRFTMQJCHCUFM-UHFFFAOYSA-N -1 0 323.295 2.217 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)C2CCC2)c1C(N)=O ZINC001188104515 796628075 /nfs/dbraw/zinc/62/80/75/796628075.db2.gz JJTBKRGSQUUHAX-UHFFFAOYSA-N -1 0 302.421 2.012 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccc1O ZINC001190172669 796953464 /nfs/dbraw/zinc/95/34/64/796953464.db2.gz AZEAOGGSCKZBDC-UHFFFAOYSA-N -1 0 300.286 2.175 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)cc(F)c1F ZINC001190347469 796985043 /nfs/dbraw/zinc/98/50/43/796985043.db2.gz DGRKRDUGDMTSTQ-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=C(NC[C@H]1Cc2ccccc2O1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625970 797595273 /nfs/dbraw/zinc/59/52/73/797595273.db2.gz QGYPWJVHAKBCJK-LLVKDONJSA-N -1 0 319.744 2.485 20 10 DECDRM O=C([O-])c1ccc(CN2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001231454608 801668872 /nfs/dbraw/zinc/66/88/72/801668872.db2.gz SMHHDJIRIMVTBB-OAHLLOKOSA-N -1 0 314.341 2.059 20 10 DECDRM C[C@H]1CN(C2CN(Cc3cccc(Cl)c3[O-])C2)C[C@H](C)O1 ZINC001231913709 801750112 /nfs/dbraw/zinc/75/01/12/801750112.db2.gz QEOSNUDHTMGOQH-RYUDHWBXSA-N -1 0 310.825 2.339 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CC[C@](F)(CO)C1 ZINC001233027802 802006972 /nfs/dbraw/zinc/00/69/72/802006972.db2.gz ZVXBVIOUNAISAX-GFCCVEGCSA-N -1 0 322.149 2.200 20 10 DECDRM [O-]c1cc(Br)cc(F)c1C[NH+]1CC(C2COC2)C1 ZINC001233027656 802007300 /nfs/dbraw/zinc/00/73/00/802007300.db2.gz WFICRFCDXHVDGD-UHFFFAOYSA-N -1 0 316.170 2.372 20 10 DECDRM Cc1c(C(=O)[O-])cccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001216661735 802010039 /nfs/dbraw/zinc/01/00/39/802010039.db2.gz PINIMPRCQZZBQD-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM [O-]c1c(CN2CC(N3CCC(F)(F)C3)C2)ccc(F)c1F ZINC001233078177 802023758 /nfs/dbraw/zinc/02/37/58/802023758.db2.gz JZEQYHWCWRHVBY-UHFFFAOYSA-N -1 0 304.287 2.196 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)oc1C ZINC001335030136 1150368503 /nfs/dbraw/zinc/36/85/03/1150368503.db2.gz SYQAPZRQZNSUKR-UHFFFAOYSA-N -1 0 303.314 2.329 20 10 DECDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001589196164 956608850 /nfs/dbraw/zinc/60/88/50/956608850.db2.gz GLQWEKMYFBEHLX-UHFFFAOYSA-N -1 0 318.333 2.176 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594311591 958031130 /nfs/dbraw/zinc/03/11/30/958031130.db2.gz LXOGPEGOELJDGV-CJNGLKHVSA-N -1 0 320.433 2.465 20 10 DECDRM CC[C@@H](CNC(=O)NCc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC001521217881 969789400 /nfs/dbraw/zinc/78/94/00/969789400.db2.gz WQRBABBAOGRTPS-AWEZNQCLSA-N -1 0 321.421 2.443 20 10 DECDRM CCCN(CC(=O)OC)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001595860307 982795013 /nfs/dbraw/zinc/79/50/13/982795013.db2.gz LHEGDKGOXQAHHZ-FNORWQNLSA-N -1 0 322.317 2.082 20 10 DECDRM CS/C=C/C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599791615 988020399 /nfs/dbraw/zinc/02/03/99/988020399.db2.gz YURQFEXCYQHFCE-SNAWJCMRSA-N -1 0 315.778 2.336 20 10 DECDRM CC(C)(O)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590893791 990833295 /nfs/dbraw/zinc/83/32/95/990833295.db2.gz PUDSHYWCMFIYCP-RNZFLTOJSA-N -1 0 320.345 2.290 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1F ZINC001598320810 991320709 /nfs/dbraw/zinc/32/07/09/991320709.db2.gz UCJIOMOOPLTEOS-QWHCGFSZSA-N -1 0 322.380 2.399 20 10 DECDRM CC(C)CCNC(=O)[C@H](C)Sc1ncc(C(=O)[O-])s1 ZINC001591246241 992142680 /nfs/dbraw/zinc/14/26/80/992142680.db2.gz NPQNIIBRBZGWRD-QMMMGPOBSA-N -1 0 302.421 2.484 20 10 DECDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1ccc(N)cc1 ZINC001591309529 992266982 /nfs/dbraw/zinc/26/69/82/992266982.db2.gz ZHTKUVSWRSHFMP-UHFFFAOYSA-N -1 0 306.406 2.407 20 10 DECDRM COc1cc(COc2ccc(N(C)C)c(C(=O)[O-])c2)sn1 ZINC001599417249 997531817 /nfs/dbraw/zinc/53/18/17/997531817.db2.gz UXCDKCPIHFPOBY-UHFFFAOYSA-N -1 0 308.359 2.495 20 10 DECDRM COc1cc(Cl)cc(CN2CC[C@@](F)(C(=O)[O-])C2)c1O ZINC001599420402 997583954 /nfs/dbraw/zinc/58/39/54/997583954.db2.gz GMFVYHUDJKGBLN-ZDUSSCGKSA-N -1 0 303.717 2.053 20 10 DECDRM O=C([O-])c1cnc(S[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)s1 ZINC001602536958 1069667224 /nfs/dbraw/zinc/66/72/24/1069667224.db2.gz IPRCGZJLWJYLDV-DJLDLDEBSA-N -1 0 312.416 2.381 20 10 DECDRM CO[C@H](C)c1noc(COc2ccc(N(C)C)c(C(=O)[O-])c2)n1 ZINC001606665147 1071185820 /nfs/dbraw/zinc/18/58/20/1071185820.db2.gz JLGXLCFJLVRQMW-SECBINFHSA-N -1 0 321.333 2.120 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)on1 ZINC001607569871 1071481098 /nfs/dbraw/zinc/48/10/98/1071481098.db2.gz APWDRZWVFGPSSP-UHFFFAOYSA-N -1 0 324.720 2.069 20 10 DECDRM Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001607765319 1071549662 /nfs/dbraw/zinc/54/96/62/1071549662.db2.gz CMKVCCUFHYYISE-JTQLQIEISA-N -1 0 310.350 2.308 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001607811381 1071566440 /nfs/dbraw/zinc/56/64/40/1071566440.db2.gz JSEYIHMEMYHIAW-UHFFFAOYSA-N -1 0 305.355 2.319 20 10 DECDRM NC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(F)c(F)c1[O-] ZINC001461947908 1058740113 /nfs/dbraw/zinc/74/01/13/1058740113.db2.gz GJRNXLOPGHRDSI-OAHLLOKOSA-N -1 0 318.323 2.255 20 10 DECDRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)C1=CC(=O)CS1 ZINC001610878139 1078090689 /nfs/dbraw/zinc/09/06/89/1078090689.db2.gz MWBKGWCCCXNXHE-NSHDSACASA-N -1 0 310.302 2.446 20 10 DECDRM Cc1cc(C(=O)N[C@H](C)/C=C/C(=O)[O-])c(C)n1-c1ccccn1 ZINC001600087237 1077134963 /nfs/dbraw/zinc/13/49/63/1077134963.db2.gz BKPCYZXDNCVMNR-WSKFYRRCSA-N -1 0 313.357 2.248 20 10 DECDRM Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC001600448548 1077203633 /nfs/dbraw/zinc/20/36/33/1077203633.db2.gz VIGZIXOVYHKMAF-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM Cn1c2ccc(F)cc2c(CNCc2csnn2)c1C(=O)[O-] ZINC001600900981 1077298369 /nfs/dbraw/zinc/29/83/69/1077298369.db2.gz CCXOMICPDLXYDW-UHFFFAOYSA-N -1 0 320.349 2.157 20 10 DECDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001601238856 1077363738 /nfs/dbraw/zinc/36/37/38/1077363738.db2.gz PMPGUMWTJBAEBX-PYISVCGKSA-N -1 0 319.357 2.261 20 10 DECDRM O=C([O-])c1cn(CC(=O)NCc2ccccc2O)c2ccccc12 ZINC001601377834 1077387398 /nfs/dbraw/zinc/38/73/98/1077387398.db2.gz CQCCGWWPGODKMP-UHFFFAOYSA-N -1 0 324.336 2.362 20 10 DECDRM O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001601809397 1077456676 /nfs/dbraw/zinc/45/66/76/1077456676.db2.gz RIOIIAAHADKEMB-MWLCHTKSSA-N -1 0 314.179 2.498 20 10 DECDRM Nc1ccc(-n2cc(CC3(C(=O)[O-])CCCCC3)nn2)cc1 ZINC001608272002 1077618904 /nfs/dbraw/zinc/61/89/04/1077618904.db2.gz NUTMSNBNXRGSEX-UHFFFAOYSA-N -1 0 300.362 2.427 20 10 DECDRM O=C([O-])[C@@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@H]1c1ccccc1 ZINC001608564924 1077656706 /nfs/dbraw/zinc/65/67/06/1077656706.db2.gz GUVDTWUXLNZFMB-KXBFYZLASA-N -1 0 323.348 2.493 20 10 DECDRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C\c1cnccn1 ZINC001608939284 1077725556 /nfs/dbraw/zinc/72/55/56/1077725556.db2.gz FADISOQFWDAJQA-SREVYHEPSA-N -1 0 309.325 2.167 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001235057380 1084289976 /nfs/dbraw/zinc/28/99/76/1084289976.db2.gz MSFANTBXHYXVTG-GXSJLCMTSA-N -1 0 322.149 2.199 20 10 DECDRM COC(=O)[C@@H](C)NCc1cc(Cl)cc(Br)c1[O-] ZINC000708087440 1086676914 /nfs/dbraw/zinc/67/69/14/1086676914.db2.gz BTJWDDLPSCYKTJ-ZCFIWIBFSA-N -1 0 322.586 2.459 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236802086 1138433875 /nfs/dbraw/zinc/43/38/75/1138433875.db2.gz OHOYAYMPSWFDCX-AWEZNQCLSA-N -1 0 317.744 2.141 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(F)c(Cl)cc1O ZINC001237935072 1138811193 /nfs/dbraw/zinc/81/11/93/1138811193.db2.gz PTXBFBZYNBNPAY-KWQFWETISA-N -1 0 305.708 2.270 20 10 DECDRM C[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001253227904 1142855858 /nfs/dbraw/zinc/85/58/58/1142855858.db2.gz BPTAURDGWFFWOH-VIFPVBQESA-N -1 0 310.341 2.295 20 10 DECDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001259204280 1144076261 /nfs/dbraw/zinc/07/62/61/1144076261.db2.gz GSXFJWVYFKKGDD-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1cc(F)cc(F)c1 ZINC001259311669 1144087908 /nfs/dbraw/zinc/08/79/08/1144087908.db2.gz GBNGEOMPDHOETI-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)c(F)c(F)c1 ZINC001259494612 1144103304 /nfs/dbraw/zinc/10/33/04/1144103304.db2.gz CSWQNSQVWGQGCM-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM COC(=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000093287068 291080919 /nfs/dbraw/zinc/08/09/19/291080919.db2.gz SRCFVCIIKBUDSP-UHFFFAOYSA-N -1 0 316.741 2.337 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[S@](=O)C1 ZINC000294799621 224229927 /nfs/dbraw/zinc/22/99/27/224229927.db2.gz VVSINTNZVWENJS-HOGDKLEQSA-N -1 0 305.802 2.385 20 10 DECDRM O=S(=O)(C[C@H]1CCCCO1)Nc1cc(Cl)c([O-])cc1F ZINC000288221893 131316730 /nfs/dbraw/zinc/31/67/30/131316730.db2.gz MREZQIKAMLQRPL-MRVPVSSYSA-N -1 0 323.773 2.496 20 10 DECDRM C[C@@H](NCc1ncn(C)n1)c1ccc(Br)cc1O ZINC000186214708 402411289 /nfs/dbraw/zinc/41/12/89/402411289.db2.gz XLTXQUBYQCHBFQ-MRVPVSSYSA-N -1 0 311.183 2.134 20 10 DECDRM CCOC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000529667163 405763590 /nfs/dbraw/zinc/76/35/90/405763590.db2.gz RQAMKMMGQIMUHQ-LBPRGKRZSA-N -1 0 303.761 2.422 20 10 DECDRM Cc1cc(C(=O)NCCC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000237582051 526265950 /nfs/dbraw/zinc/26/59/50/526265950.db2.gz IPSVATPCQUPQQC-UHFFFAOYSA-N -1 0 304.321 2.438 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000818197384 597508638 /nfs/dbraw/zinc/50/86/38/597508638.db2.gz JTNHKDFYGSLVKH-CQSZACIVSA-N -1 0 319.405 2.149 20 10 DECDRM O=C([O-])c1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000821369297 598220790 /nfs/dbraw/zinc/22/07/90/598220790.db2.gz PEGFPLUQJKKPEV-FNORWQNLSA-N -1 0 313.309 2.126 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000737204801 600623196 /nfs/dbraw/zinc/62/31/96/600623196.db2.gz XQMREPCLMOCZSH-LRDDRELGSA-N -1 0 322.405 2.137 20 10 DECDRM O=C([O-])/C=C/c1ccc(N(CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000833196284 601444866 /nfs/dbraw/zinc/44/48/66/601444866.db2.gz QDDLHNPMUYCYEC-XBXARRHUSA-N -1 0 320.345 2.434 20 10 DECDRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000827295657 602128095 /nfs/dbraw/zinc/12/80/95/602128095.db2.gz NGRPCIKNYYZNSZ-ZDUSSCGKSA-N -1 0 304.390 2.404 20 10 DECDRM COc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1O ZINC000832554314 602291072 /nfs/dbraw/zinc/29/10/72/602291072.db2.gz PJSVNGTXWKPVAD-UHFFFAOYSA-N -1 0 322.342 2.482 20 10 DECDRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000827247504 602298888 /nfs/dbraw/zinc/29/88/88/602298888.db2.gz NLYWDYGHFRJWNR-GXTWGEPZSA-N -1 0 321.373 2.011 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000828067020 603244096 /nfs/dbraw/zinc/24/40/96/603244096.db2.gz CUSBEOAOAGCQKC-UHFFFAOYSA-N -1 0 317.345 2.043 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000827051855 603669695 /nfs/dbraw/zinc/66/96/95/603669695.db2.gz INVFVMHHEWOSPH-UHFFFAOYSA-N -1 0 319.405 2.149 20 10 DECDRM COc1ccc(O)c(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832424479 604485981 /nfs/dbraw/zinc/48/59/81/604485981.db2.gz FZPSTNRDZABPLH-UHFFFAOYSA-N -1 0 322.342 2.482 20 10 DECDRM Cc1cncc(/C=C\C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1 ZINC000832986380 604554430 /nfs/dbraw/zinc/55/44/30/604554430.db2.gz JTBWDWVVNCDVDI-SREVYHEPSA-N -1 0 311.341 2.224 20 10 DECDRM Cc1cncc(/C=C\C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000832986243 604692667 /nfs/dbraw/zinc/69/26/67/604692667.db2.gz FWCXWHCDITXHJO-MWWKQMNYSA-N -1 0 324.336 2.282 20 10 DECDRM CC(C)N(C(=O)CN(C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000833495618 605434862 /nfs/dbraw/zinc/43/48/62/605434862.db2.gz LKXBDMJEUHNBPC-UHFFFAOYSA-N -1 0 322.405 2.232 20 10 DECDRM O=C([O-])Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000834258617 605708823 /nfs/dbraw/zinc/70/88/23/605708823.db2.gz ZNKMRZVVPRMWQU-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM O=C([O-])N(CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000833997639 605980630 /nfs/dbraw/zinc/98/06/30/605980630.db2.gz HQSGSNXWBLSYFX-UHFFFAOYSA-N -1 0 317.389 2.045 20 10 DECDRM O=C(NCc1ccc(O)c(O)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000158923104 625857125 /nfs/dbraw/zinc/85/71/25/625857125.db2.gz VQELMCWDJRGYIY-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCN(c2ccccn2)CC1 ZINC000893872900 636052263 /nfs/dbraw/zinc/05/22/63/636052263.db2.gz YALVZASOWMZZFU-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1O ZINC000317005031 635098868 /nfs/dbraw/zinc/09/88/68/635098868.db2.gz PBEAARCHMAEXNE-UHFFFAOYSA-N -1 0 321.354 2.129 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCO[C@H](CF)C1 ZINC000840954176 635476376 /nfs/dbraw/zinc/47/63/76/635476376.db2.gz ICVRWZILKHVWIS-SNVBAGLBSA-N -1 0 304.159 2.325 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@@H](CF)C2)c1[O-] ZINC000840955715 635617738 /nfs/dbraw/zinc/61/77/38/635617738.db2.gz YKDISOGJRWYMRH-JTQLQIEISA-N -1 0 304.705 2.124 20 10 DECDRM O=C1CN(Cc2cc(F)cc(F)c2[O-])CN1CCC(F)(F)F ZINC000894888247 637296706 /nfs/dbraw/zinc/29/67/06/637296706.db2.gz LAEGENRJGSTQHO-UHFFFAOYSA-N -1 0 324.249 2.225 20 10 DECDRM COCCCOC1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839134376 637801469 /nfs/dbraw/zinc/80/14/69/637801469.db2.gz NDQJTBVNMGWTHK-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000740700894 637893907 /nfs/dbraw/zinc/89/39/07/637893907.db2.gz IRROMOKHVLNTNG-UHFFFAOYSA-N -1 0 321.354 2.273 20 10 DECDRM COCc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000742345888 638061068 /nfs/dbraw/zinc/06/10/68/638061068.db2.gz DPTTUEYFDUJMKP-WDZFZDKYSA-N -1 0 323.395 2.119 20 10 DECDRM CCOC(=O)c1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1C ZINC000899362501 642044724 /nfs/dbraw/zinc/04/47/24/642044724.db2.gz VQCREOAUQNSPKT-ZCFIWIBFSA-N -1 0 300.236 2.006 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775709654 642082652 /nfs/dbraw/zinc/08/26/52/642082652.db2.gz WHGWDORIZNVQGZ-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM CC[C@H](C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780349224 642615127 /nfs/dbraw/zinc/61/51/27/642615127.db2.gz FSRCRSIALHDDIP-FZMZJTMJSA-N -1 0 307.394 2.051 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000780490560 642631339 /nfs/dbraw/zinc/63/13/39/642631339.db2.gz YVSOMRNIDRQBHY-CQSZACIVSA-N -1 0 323.368 2.040 20 10 DECDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843329613 650950382 /nfs/dbraw/zinc/95/03/82/650950382.db2.gz JTHJNPNTPIJUBG-OAHLLOKOSA-N -1 0 305.374 2.244 20 10 DECDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000911221651 645655172 /nfs/dbraw/zinc/65/51/72/645655172.db2.gz OSLCEBBWFYZPRE-LSDHHAIUSA-N -1 0 302.374 2.014 20 10 DECDRM CN(C)c1ccc(CNC(=O)C(C)(C)CCC(=O)[O-])cc1F ZINC000911301182 645672607 /nfs/dbraw/zinc/67/26/07/645672607.db2.gz YGEOPBXQTYVIRP-UHFFFAOYSA-N -1 0 310.369 2.399 20 10 DECDRM O=C([O-])C12CC(C(=O)NCc3c(O)ccc4c3CCCC4)(C1)C2 ZINC000911451586 645714716 /nfs/dbraw/zinc/71/47/16/645714716.db2.gz NMQUAXOOVMPPCI-UHFFFAOYSA-N -1 0 315.369 2.142 20 10 DECDRM C[C@](O)(C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000813685551 646799542 /nfs/dbraw/zinc/79/95/42/646799542.db2.gz KLDAAACMXMYHGI-CYBMUJFWSA-N -1 0 304.173 2.476 20 10 DECDRM C[C@H](NCC(F)(F)CN)c1ccc(Br)cc1O ZINC000817966807 647395768 /nfs/dbraw/zinc/39/57/68/647395768.db2.gz VWMFGFYCFDNCIN-ZETCQYMHSA-N -1 0 309.154 2.399 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000844210442 651092951 /nfs/dbraw/zinc/09/29/51/651092951.db2.gz XQSPASRSJRJIQK-AGLBCWCQSA-N -1 0 320.345 2.291 20 10 DECDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000844245748 651098647 /nfs/dbraw/zinc/09/86/47/651098647.db2.gz YSCGFVQXHCPDAT-OAHLLOKOSA-N -1 0 304.390 2.042 20 10 DECDRM CN(C)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000005392668 651178449 /nfs/dbraw/zinc/17/84/49/651178449.db2.gz PQVFVDNLWNJHKE-UHFFFAOYSA-N -1 0 318.358 2.090 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1F ZINC000846707002 651347445 /nfs/dbraw/zinc/34/74/45/651347445.db2.gz PHHJOZPGRUSODR-QGZVFWFLSA-N -1 0 320.364 2.319 20 10 DECDRM C[C@@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ncnn21 ZINC000850352291 651908310 /nfs/dbraw/zinc/90/83/10/651908310.db2.gz RETKMSZOFQHARV-GMSGAONNSA-N -1 0 323.740 2.341 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000852943745 652482167 /nfs/dbraw/zinc/48/21/67/652482167.db2.gz YHEFGKBSDAIUTJ-BMIGLBTASA-N -1 0 321.373 2.469 20 10 DECDRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929044809 693885299 /nfs/dbraw/zinc/88/52/99/693885299.db2.gz NNJSOOYEEFXYKQ-LLVKDONJSA-N -1 0 305.378 2.072 20 10 DECDRM O=C1NCCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1c1cccs1 ZINC000876765654 689930567 /nfs/dbraw/zinc/93/05/67/689930567.db2.gz WJENGYPNDNEPFJ-CYBMUJFWSA-N -1 0 324.352 2.405 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1cc(Br)c(F)cc1[O-] ZINC001144306901 790853799 /nfs/dbraw/zinc/85/37/99/790853799.db2.gz WCXVBRQNYCHOJL-SSDOTTSWSA-N -1 0 320.158 2.287 20 10 DECDRM O=C(Nc1n[nH]c2c1CCCC2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147881535 791647190 /nfs/dbraw/zinc/64/71/90/791647190.db2.gz ZKDWUGAJVJDVEP-UHFFFAOYSA-N -1 0 323.356 2.020 20 10 DECDRM CS(=O)(=O)N(c1csc(C(=O)[O-])c1)c1ccc(N)cc1 ZINC001176438928 794421757 /nfs/dbraw/zinc/42/17/57/794421757.db2.gz GLALWJCPMOOWGN-UHFFFAOYSA-N -1 0 312.372 2.126 20 10 DECDRM COC[C@H]1Cn2nccc2CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684700 794930199 /nfs/dbraw/zinc/93/01/99/794930199.db2.gz OUIOWLVNBZVWOJ-LLVKDONJSA-N -1 0 323.343 2.145 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(Cc2cccnc2)CC1 ZINC001139685729 796410413 /nfs/dbraw/zinc/41/04/13/796410413.db2.gz VEIFPBRCVIHPIW-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCn2c(nnc2C2CC2)C1 ZINC001140583451 796540859 /nfs/dbraw/zinc/54/08/59/796540859.db2.gz HFYKWZSIPPLBSL-UHFFFAOYSA-N -1 0 306.316 2.155 20 10 DECDRM Cc1ccnc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140586029 796541626 /nfs/dbraw/zinc/54/16/26/796541626.db2.gz ZOZLELBPGQGWHN-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=C(NCc1ccccc1O)c1nc(Br)ccc1[O-] ZINC001191748111 797257210 /nfs/dbraw/zinc/25/72/10/797257210.db2.gz ISBMCQJMHGTHLM-UHFFFAOYSA-N -1 0 323.146 2.185 20 10 DECDRM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2O)cnc1Cl ZINC001192519644 797401473 /nfs/dbraw/zinc/40/14/73/797401473.db2.gz TTZSZCWFFUUYLB-UHFFFAOYSA-N -1 0 314.750 2.255 20 10 DECDRM O=C(Nc1cc(=O)[n-]c(Cl)n1)c1ccc(O)c(O)c1Cl ZINC001193219929 797524047 /nfs/dbraw/zinc/52/40/47/797524047.db2.gz NRMDTLXFWPOATA-UHFFFAOYSA-N -1 0 316.100 2.153 20 10 DECDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)n1C ZINC001198399097 798328725 /nfs/dbraw/zinc/32/87/25/798328725.db2.gz VXJFPFQORZTRQC-UHFFFAOYSA-N -1 0 317.370 2.388 20 10 DECDRM COc1ccc(C(=O)[O-])cc1N(CCO)c1ccc(N)cc1 ZINC001210254884 801358939 /nfs/dbraw/zinc/35/89/39/801358939.db2.gz MSQKCWJSMMNCPZ-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CCO[C@H]2C[C@H]21 ZINC001233029156 802009810 /nfs/dbraw/zinc/00/98/10/802009810.db2.gz AJOJZFSQZLJWMS-PWSUYJOCSA-N -1 0 302.143 2.267 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001227620663 803262265 /nfs/dbraw/zinc/26/22/65/803262265.db2.gz OTJKQNWOFLXAIH-RNLVFQAGSA-N -1 0 312.343 2.204 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc(O)c(O)c2)CCCCCC1 ZINC001594863745 954304103 /nfs/dbraw/zinc/30/41/03/954304103.db2.gz VGXQRQRUOMDFEC-UHFFFAOYSA-N -1 0 307.346 2.139 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593760645 954484680 /nfs/dbraw/zinc/48/46/80/954484680.db2.gz RSQPVLZHURPCFE-MRXNPFEDSA-N -1 0 316.401 2.356 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594312140 958043530 /nfs/dbraw/zinc/04/35/30/958043530.db2.gz VNXMJOWFHQLHOZ-VBHSOAQHSA-N -1 0 318.417 2.219 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001594105361 958462195 /nfs/dbraw/zinc/46/21/95/958462195.db2.gz JSPNRATVYSVNAU-GARJFASQSA-N -1 0 307.346 2.079 20 10 DECDRM O=C([O-])CCCCNC(=O)NCc1cccc(Cl)c1O ZINC001353126429 962652788 /nfs/dbraw/zinc/65/27/88/962652788.db2.gz ITQUDRAFQRURFQ-UHFFFAOYSA-N -1 0 300.742 2.100 20 10 DECDRM O=C([O-])[C@H](Cc1ccncc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001605904454 972752746 /nfs/dbraw/zinc/75/27/46/972752746.db2.gz XDESKTYNYDALRM-LBPRGKRZSA-N -1 0 324.739 2.365 20 10 DECDRM CCCn1cncc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001596118013 983450896 /nfs/dbraw/zinc/45/08/96/983450896.db2.gz HJZOJVHBSCWEIH-UHFFFAOYSA-N -1 0 303.362 2.393 20 10 DECDRM C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@]1(C)C(=O)[O-] ZINC001599921442 985140454 /nfs/dbraw/zinc/14/04/54/985140454.db2.gz QCVGRTYMJYRIET-SJCJKPOMSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC001589458526 986903133 /nfs/dbraw/zinc/90/31/33/986903133.db2.gz PDMJEJOPKQZLCE-PXAZEXFGSA-N -1 0 312.369 2.390 20 10 DECDRM CC(C)(NC(=O)Nc1ccc(N)cc1)c1cc(C(=O)[O-])on1 ZINC001590855629 990741153 /nfs/dbraw/zinc/74/11/53/990741153.db2.gz GWXXLUQSRPZNLF-UHFFFAOYSA-N -1 0 304.306 2.012 20 10 DECDRM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593208322 994224631 /nfs/dbraw/zinc/22/46/31/994224631.db2.gz HOTXROAXKZLNLG-RDDDGLTNSA-N -1 0 307.268 2.054 20 10 DECDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C=C\c1cccnc1 ZINC001599644951 994412772 /nfs/dbraw/zinc/41/27/72/994412772.db2.gz FJNAWMHQKCUKTM-HJWRWDBZSA-N -1 0 312.325 2.465 20 10 DECDRM O=C([O-])c1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)n1 ZINC001602654927 1069714349 /nfs/dbraw/zinc/71/43/49/1069714349.db2.gz IQVQEWWXHVYURO-XFXZXTDPSA-N -1 0 317.370 2.236 20 10 DECDRM Cn1c(-c2ccccc2)cnc1SC[C@H]1CC(C(=O)[O-])=NO1 ZINC001610594519 1078048324 /nfs/dbraw/zinc/04/83/24/1078048324.db2.gz PBZZOCFTODRUHM-LLVKDONJSA-N -1 0 317.370 2.409 20 10 DECDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1O ZINC001607422279 1071439441 /nfs/dbraw/zinc/43/94/41/1071439441.db2.gz SYGJTAWCFSRCSG-XMKDAVRRSA-N -1 0 318.373 2.252 20 10 DECDRM Cc1c(C(=O)[O-])cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1C ZINC001607516534 1071466703 /nfs/dbraw/zinc/46/67/03/1071466703.db2.gz ACHAULKHALUXEU-UHFFFAOYSA-N -1 0 310.300 2.305 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1ccc(-c2nc[nH]n2)cc1 ZINC001456030186 1057807803 /nfs/dbraw/zinc/80/78/03/1057807803.db2.gz RBJCTGGPOVAORW-UHFFFAOYSA-N -1 0 312.304 2.246 20 10 DECDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1Cc2cccc(O)c2C1 ZINC001471355707 1060213256 /nfs/dbraw/zinc/21/32/56/1060213256.db2.gz RRLDWGUMLHBVPE-UHFFFAOYSA-N -1 0 300.270 2.162 20 10 DECDRM CN(C)c1ccc(CNS(=O)(=O)c2ccccc2[O-])cc1F ZINC001474890778 1060948952 /nfs/dbraw/zinc/94/89/52/1060948952.db2.gz BSMMSMOETKENJW-UHFFFAOYSA-N -1 0 324.377 2.076 20 10 DECDRM O=C(Nc1ccc(OC2COC2)cc1)c1c(F)ccc(O)c1[O-] ZINC001611154046 1078096535 /nfs/dbraw/zinc/09/65/35/1078096535.db2.gz BYXBEOJOKLMUNM-UHFFFAOYSA-N -1 0 319.288 2.267 20 10 DECDRM CC1(C)C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC001520182285 1069105560 /nfs/dbraw/zinc/10/55/60/1069105560.db2.gz USCDUQDIMMKHQU-LBPRGKRZSA-N -1 0 321.373 2.011 20 10 DECDRM CCN(C(=O)c1cccc(O)c1O)[C@H](CO)c1ccccc1 ZINC001558099743 1075082358 /nfs/dbraw/zinc/08/23/58/1075082358.db2.gz WIZKKIVPLOVXNJ-CQSZACIVSA-N -1 0 301.342 2.294 20 10 DECDRM Cc1cc(NC(=O)[C@H](C)Sc2ncc(C(=O)[O-])s2)on1 ZINC001600251472 1077169365 /nfs/dbraw/zinc/16/93/65/1077169365.db2.gz XLIBYPRSFFUHCZ-LURJTMIESA-N -1 0 313.360 2.257 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cc1 ZINC001600391410 1077192595 /nfs/dbraw/zinc/19/25/95/1077192595.db2.gz FAGLBXZGBJLMGD-LBPRGKRZSA-N -1 0 315.325 2.293 20 10 DECDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)/C=C/c1cnccn1 ZINC001600583962 1077226447 /nfs/dbraw/zinc/22/64/47/1077226447.db2.gz RTAWVWQUHZNMPR-VOTSOKGWSA-N -1 0 311.341 2.306 20 10 DECDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001601641634 1077423978 /nfs/dbraw/zinc/42/39/78/1077423978.db2.gz JXVJCAQSFRTGMT-CABZTGNLSA-N -1 0 315.316 2.030 20 10 DECDRM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001601796395 1077454011 /nfs/dbraw/zinc/45/40/11/1077454011.db2.gz RDOYOKLAGDOFCG-WCBMZHEXSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001601796396 1077454207 /nfs/dbraw/zinc/45/42/07/1077454207.db2.gz RDOYOKLAGDOFCG-WPRPVWTQSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])Cc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC001602124914 1077511092 /nfs/dbraw/zinc/51/10/92/1077511092.db2.gz HTACTGSQMPRDFU-UHFFFAOYSA-N -1 0 300.314 2.341 20 10 DECDRM O=C([O-])c1ccc(O)c([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC001608905738 1077718883 /nfs/dbraw/zinc/71/88/83/1077718883.db2.gz OXUDMXUJNHWEDG-OAHLLOKOSA-N -1 0 324.336 2.258 20 10 DECDRM COC(=O)c1occc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001610221111 1077991755 /nfs/dbraw/zinc/99/17/55/1077991755.db2.gz ZHIJYYGBBOYTIX-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM COc1ccc(CNc2ccc(C(=O)[O-])c(OC)n2)c(O)c1 ZINC001610335667 1078005570 /nfs/dbraw/zinc/00/55/70/1078005570.db2.gz KPGVFSFVZLYRMW-UHFFFAOYSA-N -1 0 304.302 2.115 20 10 DECDRM NC(=O)[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001656056929 1080032215 /nfs/dbraw/zinc/03/22/15/1080032215.db2.gz UMEFNAXRGLESKF-ZDUSSCGKSA-N -1 0 310.275 2.126 20 10 DECDRM COc1cc(F)c(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)cc1F ZINC001212566327 1086560889 /nfs/dbraw/zinc/56/08/89/1086560889.db2.gz ORMPHLNPEDMTKB-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM COc1ccc(CN2CCN(CC(F)F)CC2)c([O-])c1Cl ZINC001236807474 1138435831 /nfs/dbraw/zinc/43/58/31/1138435831.db2.gz PMXBDHWXFJLGRN-UHFFFAOYSA-N -1 0 320.767 2.437 20 10 DECDRM COC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251384577 1142426333 /nfs/dbraw/zinc/42/63/33/1142426333.db2.gz XUPSGLOWPZAQAM-ZCFIWIBFSA-N -1 0 314.190 2.012 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(C)cc1O ZINC001260440663 1144187350 /nfs/dbraw/zinc/18/73/50/1144187350.db2.gz CJGCNHONZXWJKS-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM C[C@H](NCc1ncnn1C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281945990 299325409 /nfs/dbraw/zinc/32/54/09/299325409.db2.gz BTKPGECAQMLWCK-JTQLQIEISA-N -1 0 319.365 2.498 20 10 DECDRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000492996537 249192272 /nfs/dbraw/zinc/19/22/72/249192272.db2.gz MHOWXRPJGOKZBU-GEXIGZQTSA-N -1 0 312.300 2.449 20 10 DECDRM C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)[O-])cc2Cl)C1 ZINC000290590295 131501629 /nfs/dbraw/zinc/50/16/29/131501629.db2.gz UGVLZUWJRPZFQU-SNVBAGLBSA-N -1 0 310.781 2.277 20 10 DECDRM CC1(C)CCN(Cc2cccc(Cl)c2[O-])CCS1(=O)=O ZINC000195203923 402836527 /nfs/dbraw/zinc/83/65/27/402836527.db2.gz LBCLTNZMDIQMRM-UHFFFAOYSA-N -1 0 317.838 2.445 20 10 DECDRM O=C(C[C@@H]1CCCO1)NCc1cccc(Br)c1O ZINC000277598387 403235003 /nfs/dbraw/zinc/23/50/03/403235003.db2.gz TXLASEXTFKMDDM-JTQLQIEISA-N -1 0 314.179 2.340 20 10 DECDRM O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C2CCCCC2)CC1 ZINC000295054038 403743937 /nfs/dbraw/zinc/74/39/37/403743937.db2.gz USWUHWRBXMBROZ-UHFFFAOYSA-N -1 0 322.380 2.327 20 10 DECDRM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295229513 403804432 /nfs/dbraw/zinc/80/44/32/403804432.db2.gz CRBWCGDAQRPIOR-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000296175514 404128720 /nfs/dbraw/zinc/12/87/20/404128720.db2.gz ICMNFOOOXTYAOB-QMMMGPOBSA-N -1 0 321.308 2.106 20 10 DECDRM CC(C)c1nnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000296636659 404311293 /nfs/dbraw/zinc/31/12/93/404311293.db2.gz XTWCTDRFFAYETJ-VIFPVBQESA-N -1 0 305.338 2.393 20 10 DECDRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000821538045 598220430 /nfs/dbraw/zinc/22/04/30/598220430.db2.gz MIBSYLUKTKMMRW-FNORWQNLSA-N -1 0 313.309 2.377 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)C2CC=CC2)NC(=O)[O-])cc1 ZINC000828056962 603025895 /nfs/dbraw/zinc/02/58/95/603025895.db2.gz XHFJJDCHQVJXSC-HNNXBMFYSA-N -1 0 317.389 2.144 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)CC2CCC2)NC(=O)[O-])cc1 ZINC000828064826 603028210 /nfs/dbraw/zinc/02/82/10/603028210.db2.gz ZKHHKXRWPHVRFQ-HNNXBMFYSA-N -1 0 319.405 2.368 20 10 DECDRM CN(C)c1ccc(CNC(=O)C2(CNC(=O)[O-])CCCC2)cc1 ZINC000828066976 603617849 /nfs/dbraw/zinc/61/78/49/603617849.db2.gz AZVOYUAEKKMASH-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827156245 604125179 /nfs/dbraw/zinc/12/51/79/604125179.db2.gz DEVMXDWZHVVTOL-CYBMUJFWSA-N -1 0 321.421 2.347 20 10 DECDRM C[C@H](O)[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833526261 604874982 /nfs/dbraw/zinc/87/49/82/604874982.db2.gz HKZHQTKUNKRMCV-VAFIWLDWSA-N -1 0 320.345 2.290 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1cccc2c1NC(=O)CO2 ZINC000833681161 605044965 /nfs/dbraw/zinc/04/49/65/605044965.db2.gz VKKMFSVNDUNPRY-UHFFFAOYSA-N -1 0 317.297 2.450 20 10 DECDRM Cc1ccc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c(O)c1O ZINC000833903047 605839663 /nfs/dbraw/zinc/83/96/63/605839663.db2.gz WUXASHPMRCGMFQ-GFCCVEGCSA-N -1 0 324.377 2.161 20 10 DECDRM O=C([O-])N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000834110192 605990028 /nfs/dbraw/zinc/99/00/28/605990028.db2.gz OACKMZMUBNILRA-UHFFFAOYSA-N -1 0 302.733 2.370 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCN(CC(F)(F)F)CC1 ZINC000893917783 636064380 /nfs/dbraw/zinc/06/43/80/636064380.db2.gz XNZRORALYGAHLF-UHFFFAOYSA-N -1 0 310.266 2.350 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[S@@](=O)C1 ZINC000763647544 640558158 /nfs/dbraw/zinc/55/81/58/640558158.db2.gz FKLBWZMAWWZPHW-AYLIAGHASA-N -1 0 305.802 2.385 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000770667370 641405208 /nfs/dbraw/zinc/40/52/08/641405208.db2.gz QBVWKYIWPYOYJN-UHFFFAOYSA-N -1 0 311.748 2.257 20 10 DECDRM CCOC(=O)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])c1nccn1C ZINC000772806676 641693982 /nfs/dbraw/zinc/69/39/82/641693982.db2.gz NHPLWVWQASASRM-XFXZXTDPSA-N -1 0 317.301 2.138 20 10 DECDRM CC(C)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780349996 642615227 /nfs/dbraw/zinc/61/52/27/642615227.db2.gz LJUDUOCPELASJH-AWEZNQCLSA-N -1 0 307.394 2.051 20 10 DECDRM COC[C@](C)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000789904390 643787905 /nfs/dbraw/zinc/78/79/05/643787905.db2.gz VGPOFTAODBRFMH-LBPRGKRZSA-N -1 0 308.161 2.278 20 10 DECDRM O=C(Nc1nncn1-c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000790074642 643813653 /nfs/dbraw/zinc/81/36/53/643813653.db2.gz FLDDVAYGXYBUFN-UHFFFAOYSA-N -1 0 314.276 2.070 20 10 DECDRM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C1CC1 ZINC000790750303 643888557 /nfs/dbraw/zinc/88/85/57/643888557.db2.gz PLCKSLCOQSTUNC-RKDXNWHRSA-N -1 0 318.337 2.034 20 10 DECDRM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000797715278 644911760 /nfs/dbraw/zinc/91/17/60/644911760.db2.gz MRHLJKSYDGREJN-JTQLQIEISA-N -1 0 323.368 2.039 20 10 DECDRM COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c(O)c1 ZINC000911719400 645792360 /nfs/dbraw/zinc/79/23/60/645792360.db2.gz UGRKUJTWJNTRDW-UHFFFAOYSA-N -1 0 321.373 2.442 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc[n+]1[O-] ZINC000807839829 645995288 /nfs/dbraw/zinc/99/52/88/645995288.db2.gz ROFADPFUWBWGEO-UHFFFAOYSA-N -1 0 313.140 2.262 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc[n+]([O-])c1 ZINC000807834132 645995677 /nfs/dbraw/zinc/99/56/77/645995677.db2.gz JVDVXBUQMQONDV-UHFFFAOYSA-N -1 0 313.140 2.262 20 10 DECDRM O=C(COC(=O)c1ccc([O-])c(Cl)c1)c1ccc(O)c(O)c1 ZINC000916591244 647882904 /nfs/dbraw/zinc/88/29/04/647882904.db2.gz VXGNIVXBQIQQQJ-UHFFFAOYSA-N -1 0 322.700 2.497 20 10 DECDRM COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825158380 648714095 /nfs/dbraw/zinc/71/40/95/648714095.db2.gz JVFHSDJNCJPGGM-AWEZNQCLSA-N -1 0 303.761 2.016 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000844209774 651092824 /nfs/dbraw/zinc/09/28/24/651092824.db2.gz NKUKGTJYNAQAAY-MTCWXPTMSA-N -1 0 306.343 2.387 20 10 DECDRM CN(CC1(O)CCC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844214811 651094484 /nfs/dbraw/zinc/09/44/84/651094484.db2.gz VDIQTOCGIIABDW-GQCTYLIASA-N -1 0 306.318 2.044 20 10 DECDRM CN(Cc1cc2n(n1)CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000846280252 651320226 /nfs/dbraw/zinc/32/02/26/651320226.db2.gz WEINGDXAZBQBSY-UHFFFAOYSA-N -1 0 315.373 2.319 20 10 DECDRM CN(Cc1nccn1C(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC000846280254 651320261 /nfs/dbraw/zinc/32/02/61/651320261.db2.gz WEWPAPMYNZTQMU-UHFFFAOYSA-N -1 0 311.288 2.378 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000846709732 651347718 /nfs/dbraw/zinc/34/77/18/651347718.db2.gz PWYSVHJEKJCOPN-OLZOCXBDSA-N -1 0 304.390 2.178 20 10 DECDRM CN(CCO[C@H]1CC1(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC000849345579 651654348 /nfs/dbraw/zinc/65/43/48/651654348.db2.gz YHBAQUXKSUKZCO-LBPRGKRZSA-N -1 0 301.289 2.010 20 10 DECDRM C[C@]12COC[C@H]1CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000849348927 651655574 /nfs/dbraw/zinc/65/55/74/651655574.db2.gz VZXXBNQJCZFNLQ-RFRSMIAGSA-N -1 0 318.329 2.165 20 10 DECDRM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccccc1[O-] ZINC000849375108 651662341 /nfs/dbraw/zinc/66/23/41/651662341.db2.gz OGGSCOKWBSQYEV-UHFFFAOYSA-N -1 0 320.414 2.245 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000852943178 652481667 /nfs/dbraw/zinc/48/16/67/652481667.db2.gz SKOALNRJBPPRFL-ABKXIKBNSA-N -1 0 307.346 2.079 20 10 DECDRM CC[C@@H](C)CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000853011710 652488860 /nfs/dbraw/zinc/48/88/60/652488860.db2.gz ZAVDSNRGOUMHIK-CYBMUJFWSA-N -1 0 322.405 2.139 20 10 DECDRM COC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000013462546 683846818 /nfs/dbraw/zinc/84/68/18/683846818.db2.gz JGJFPBFVEIBSBL-HWKANZROSA-N -1 0 306.318 2.308 20 10 DECDRM COc1ccc(N(Cc2n[nH]c(=O)[n-]2)Cc2ccccc2)cc1 ZINC000092642905 684044302 /nfs/dbraw/zinc/04/43/02/684044302.db2.gz WXVDGPYZLYTAML-UHFFFAOYSA-N -1 0 310.357 2.313 20 10 DECDRM COC[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1 ZINC000093528936 684050379 /nfs/dbraw/zinc/05/03/79/684050379.db2.gz UTNCAMBCFFNDJE-NSHDSACASA-N -1 0 316.195 2.002 20 10 DECDRM C[C@H](NC(=O)N(CC(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929044811 693885590 /nfs/dbraw/zinc/88/55/90/693885590.db2.gz NNJSOOYEEFXYKQ-NSHDSACASA-N -1 0 305.378 2.072 20 10 DECDRM CS(=O)(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000863992998 686602418 /nfs/dbraw/zinc/60/24/18/686602418.db2.gz DJPGDPYKHQRRPQ-UHFFFAOYSA-N -1 0 322.342 2.316 20 10 DECDRM O=C([O-])C1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000874404031 689403261 /nfs/dbraw/zinc/40/32/61/689403261.db2.gz DOIFFBFMJFPMPO-UHFFFAOYSA-N -1 0 304.346 2.061 20 10 DECDRM CCN1CC(=O)N[C@H]1c1cc(Cl)cc(Br)c1[O-] ZINC000887329596 692334469 /nfs/dbraw/zinc/33/44/69/692334469.db2.gz KRCRPSFTUYFUOB-LLVKDONJSA-N -1 0 319.586 2.258 20 10 DECDRM CCCOc1ccc(C[NH2+]C[C@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC001353951827 1151863674 /nfs/dbraw/zinc/86/36/74/1151863674.db2.gz BHLUXWUTEOSUBK-KRWDZBQOSA-N -1 0 323.389 2.439 20 10 DECDRM C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccncc1 ZINC001147878317 791645218 /nfs/dbraw/zinc/64/52/18/791645218.db2.gz AUSOTZFYULTBFZ-LBPRGKRZSA-N -1 0 308.341 2.052 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(Cc2cccnc2)CC1 ZINC001140579774 796540941 /nfs/dbraw/zinc/54/09/41/796540941.db2.gz FWVIAENNIBWANI-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(O)c2O)c1 ZINC001192804668 797451252 /nfs/dbraw/zinc/45/12/52/797451252.db2.gz APTHIFSJPBWJFM-UHFFFAOYSA-N -1 0 323.370 2.470 20 10 DECDRM CCc1c(C)sc([N-]S(=O)(=O)CC2CCC2)c1C(N)=O ZINC001193471094 797571298 /nfs/dbraw/zinc/57/12/98/797571298.db2.gz ILYYIRNGLKJBHH-UHFFFAOYSA-N -1 0 316.448 2.260 20 10 DECDRM CCOc1cnc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1 ZINC001193605806 797601732 /nfs/dbraw/zinc/60/17/32/797601732.db2.gz LEXBIXQSSCRKMX-UHFFFAOYSA-N -1 0 309.709 2.192 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@](O)(CF)CC1 ZINC001193605919 797601821 /nfs/dbraw/zinc/60/18/21/797601821.db2.gz MYZZXUMLSWAWNP-CQSZACIVSA-N -1 0 317.744 2.078 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@@](O)(CF)CC1 ZINC001193605918 797601964 /nfs/dbraw/zinc/60/19/64/797601964.db2.gz MYZZXUMLSWAWNP-AWEZNQCLSA-N -1 0 317.744 2.078 20 10 DECDRM O=C(Nc1cnc2n[nH]cc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605308 797602168 /nfs/dbraw/zinc/60/21/68/797602168.db2.gz DLVJTQFCPRPIGS-UHFFFAOYSA-N -1 0 304.693 2.275 20 10 DECDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cccc(O)c2O)c1 ZINC001156201574 797946920 /nfs/dbraw/zinc/94/69/20/797946920.db2.gz URRRXCPHYYHYHB-UHFFFAOYSA-N -1 0 305.261 2.397 20 10 DECDRM CCN(CC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566024 801688134 /nfs/dbraw/zinc/68/81/34/801688134.db2.gz NRGKUSRKBVOLTP-UHFFFAOYSA-N -1 0 309.362 2.254 20 10 DECDRM COC(=O)c1cc(Br)c([O-])c(CN2CC=CC2)c1 ZINC001233306496 802072115 /nfs/dbraw/zinc/07/21/15/802072115.db2.gz SDIICLSIOKLORL-UHFFFAOYSA-N -1 0 312.163 2.313 20 10 DECDRM O=C([O-])[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CC=CCC1 ZINC001594862790 954288918 /nfs/dbraw/zinc/28/89/18/954288918.db2.gz LMBWMFQFZWNAJK-HNNXBMFYSA-N -1 0 309.749 2.473 20 10 DECDRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC001589118011 956106743 /nfs/dbraw/zinc/10/67/43/956106743.db2.gz UOQOJOMKPBJLON-LLVKDONJSA-N -1 0 313.357 2.337 20 10 DECDRM C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1O ZINC001594238381 959518765 /nfs/dbraw/zinc/51/87/65/959518765.db2.gz SULLTWFDPSIICE-NSHDSACASA-N -1 0 315.325 2.347 20 10 DECDRM CC(C)N(CC(=O)[O-])C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001588915982 962342749 /nfs/dbraw/zinc/34/27/49/962342749.db2.gz HPEPZHVXTPKDHI-UHFFFAOYSA-N -1 0 309.343 2.248 20 10 DECDRM COc1ccc(N2CCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC000320252892 970638544 /nfs/dbraw/zinc/63/85/44/970638544.db2.gz BEZLHTADSGXXPS-UHFFFAOYSA-N -1 0 316.357 2.309 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC001605187465 972906385 /nfs/dbraw/zinc/90/63/85/972906385.db2.gz ZLJWBHRHKWSUFR-ZDUSSCGKSA-N -1 0 318.417 2.363 20 10 DECDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001603496872 973453292 /nfs/dbraw/zinc/45/32/92/973453292.db2.gz YRFYUQCDDMSQSU-MRVPVSSYSA-N -1 0 309.343 2.248 20 10 DECDRM CC[C@@H](F)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595224794 980070563 /nfs/dbraw/zinc/07/05/63/980070563.db2.gz HATUYDMOGHBBKU-SNVBAGLBSA-N -1 0 303.717 2.207 20 10 DECDRM CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1(C(=O)[O-])CCCCC1 ZINC001598006150 990157800 /nfs/dbraw/zinc/15/78/00/990157800.db2.gz JSWXWOQWHGWJDM-SOFGYWHQSA-N -1 0 319.357 2.357 20 10 DECDRM CC(C)C1(O)CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001591067330 991511983 /nfs/dbraw/zinc/51/19/83/991511983.db2.gz CQZOJMLKBYCZGY-UHFFFAOYSA-N -1 0 320.364 2.218 20 10 DECDRM CN(Cc1c[nH]cn1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598504990 992490615 /nfs/dbraw/zinc/49/06/15/992490615.db2.gz CZWSVFYCDNKPDM-UHFFFAOYSA-N -1 0 316.336 2.371 20 10 DECDRM CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598530386 992771882 /nfs/dbraw/zinc/77/18/82/992771882.db2.gz CZEIXLSWOVHOJA-RQJABVFESA-N -1 0 318.373 2.033 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599598829 993785842 /nfs/dbraw/zinc/78/58/42/993785842.db2.gz UVNIJNKBGNWDET-MRVPVSSYSA-N -1 0 305.286 2.183 20 10 DECDRM CN(C)c1ccc(OCc2cccc(C(N)=O)c2)cc1C(=O)[O-] ZINC001606060014 1071031616 /nfs/dbraw/zinc/03/16/16/1071031616.db2.gz CEUXPSQMPIRXCV-UHFFFAOYSA-N -1 0 314.341 2.129 20 10 DECDRM CN(Cc1ncccn1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001606177062 1071064486 /nfs/dbraw/zinc/06/44/86/1071064486.db2.gz JVKLSSTYNZWJIC-GQCTYLIASA-N -1 0 314.301 2.119 20 10 DECDRM C[C@H](NC(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1O ZINC001607455511 1071448590 /nfs/dbraw/zinc/44/85/90/1071448590.db2.gz GWJLISCWXMBFMD-QMMMGPOBSA-N -1 0 321.358 2.107 20 10 DECDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1O ZINC001454805457 1057580600 /nfs/dbraw/zinc/58/06/00/1057580600.db2.gz JZUBGTPJGCNYKG-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM NC(=O)c1nccnc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC001639991441 1078635840 /nfs/dbraw/zinc/63/58/40/1078635840.db2.gz RZRPDHFJULODHA-UHFFFAOYSA-N -1 0 313.144 2.200 20 10 DECDRM Cc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])c(O)c1O ZINC001600335199 1077182050 /nfs/dbraw/zinc/18/20/50/1077182050.db2.gz ZRMPIRKVPIFYJU-UHFFFAOYSA-N -1 0 313.309 2.307 20 10 DECDRM O=C([O-])[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001601361121 1077383457 /nfs/dbraw/zinc/38/34/57/1077383457.db2.gz KNHDLKWYKDIHTC-CYBMUJFWSA-N -1 0 321.373 2.038 20 10 DECDRM O=C([O-])[C@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1c1ccccc1 ZINC001608564921 1077656779 /nfs/dbraw/zinc/65/67/79/1077656779.db2.gz GUVDTWUXLNZFMB-DNVCBOLYSA-N -1 0 323.348 2.493 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)C1CCOCC1 ZINC001609804492 1077927105 /nfs/dbraw/zinc/92/71/05/1077927105.db2.gz DPUQNLAWVWMQLH-SSDOTTSWSA-N -1 0 301.389 2.318 20 10 DECDRM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c(F)ccc(O)c1[O-] ZINC001654324090 1079961540 /nfs/dbraw/zinc/96/15/40/1079961540.db2.gz SNYDPOISFOPPOS-UHFFFAOYSA-N -1 0 314.276 2.274 20 10 DECDRM CC(C)c1nnc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC001657728286 1080183017 /nfs/dbraw/zinc/18/30/17/1080183017.db2.gz JIPLLSXFYMFWOB-SECBINFHSA-N -1 0 305.338 2.393 20 10 DECDRM O=C1NCCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001663685634 1080801865 /nfs/dbraw/zinc/80/18/65/1080801865.db2.gz IZCKBHPNANPAIC-HNNXBMFYSA-N -1 0 318.323 2.344 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236802087 1138433539 /nfs/dbraw/zinc/43/35/39/1138433539.db2.gz OHOYAYMPSWFDCX-CQSZACIVSA-N -1 0 317.744 2.141 20 10 DECDRM COc1ccc(CN2CCC(=O)C(F)(F)C2)c([O-])c1Cl ZINC001236811889 1138437688 /nfs/dbraw/zinc/43/76/88/1138437688.db2.gz QPVXJGPAWBISSN-UHFFFAOYSA-N -1 0 305.708 2.464 20 10 DECDRM O=C([O-])c1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001242337459 1139893315 /nfs/dbraw/zinc/89/33/15/1139893315.db2.gz CAIBTCIWFWXTMQ-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)c2c[n-]ncc2=O)cc1 ZINC001336865956 1142604215 /nfs/dbraw/zinc/60/42/15/1142604215.db2.gz KADOLFRQEKGEIA-UHFFFAOYSA-N -1 0 314.389 2.301 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)ccc1F ZINC001258941322 1144056249 /nfs/dbraw/zinc/05/62/49/1144056249.db2.gz UQIWQQLEPYFAML-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1O ZINC001260230319 1144182597 /nfs/dbraw/zinc/18/25/97/1144182597.db2.gz RPHZRKJFCUERMU-SNVBAGLBSA-N -1 0 321.354 2.130 20 10 DECDRM O=S(=O)([N-]c1cccc2c1COC2)c1cccc2nonc21 ZINC001260441641 1144187695 /nfs/dbraw/zinc/18/76/95/1144187695.db2.gz UNEOVLLUZUNXPK-UHFFFAOYSA-N -1 0 317.326 2.054 20 10 DECDRM O=C(NCc1nccn1C(F)F)NCc1c(O)cccc1F ZINC001311804493 1147541659 /nfs/dbraw/zinc/54/16/59/1147541659.db2.gz VRKGDFONECASDO-UHFFFAOYSA-N -1 0 314.267 2.122 20 10 DECDRM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000132399833 401866902 /nfs/dbraw/zinc/86/69/02/401866902.db2.gz KBZYJMXSUIDAPY-JTQLQIEISA-N -1 0 324.229 2.318 20 10 DECDRM O=S1(=O)CC[C@@H](N(Cc2cccc(Cl)c2[O-])C2CC2)C1 ZINC000179710788 402598426 /nfs/dbraw/zinc/59/84/26/402598426.db2.gz XFUJDSNAIBXQFA-GFCCVEGCSA-N -1 0 315.822 2.197 20 10 DECDRM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](C)S1(=O)=O ZINC000290868775 404344984 /nfs/dbraw/zinc/34/49/84/404344984.db2.gz KCDHMEXZRWBSOB-AOOOYVTPSA-N -1 0 303.811 2.053 20 10 DECDRM CN1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000191662715 289937494 /nfs/dbraw/zinc/93/74/94/289937494.db2.gz KCXQDBCRQRRUQD-UHFFFAOYSA-N -1 0 303.189 2.363 20 10 DECDRM COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)[O-])c2C)cc1 ZINC000237303379 523314095 /nfs/dbraw/zinc/31/40/95/523314095.db2.gz BFQKPDPSMPATQW-UHFFFAOYSA-N -1 0 316.357 2.259 20 10 DECDRM COCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086804522 598117749 /nfs/dbraw/zinc/11/77/49/598117749.db2.gz OIILLYGNLJVUFI-UHFFFAOYSA-N -1 0 308.161 2.232 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000387354327 600126208 /nfs/dbraw/zinc/12/62/08/600126208.db2.gz YWZDCCJGECEHRG-VLWUPBBWSA-N -1 0 306.318 2.308 20 10 DECDRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000737395006 600142772 /nfs/dbraw/zinc/14/27/72/600142772.db2.gz MNXROUKTHGQHSM-UHFFFAOYSA-N -1 0 314.341 2.161 20 10 DECDRM O=C([O-])c1cccn2cc(COC(=O)C3=CC(=O)CS3)nc12 ZINC000740296144 600368875 /nfs/dbraw/zinc/36/88/75/600368875.db2.gz GESSTZLVHBMULI-UHFFFAOYSA-N -1 0 318.310 2.157 20 10 DECDRM CN(CCCC(=O)NCCCSc1nccs1)C(=O)[O-] ZINC000737425541 600418837 /nfs/dbraw/zinc/41/88/37/600418837.db2.gz DKDUBQXZFAYJBC-UHFFFAOYSA-N -1 0 317.436 2.132 20 10 DECDRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000833179220 600723370 /nfs/dbraw/zinc/72/33/70/600723370.db2.gz NUFOZMQOXOVHAS-KBPBESRZSA-N -1 0 315.325 2.235 20 10 DECDRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000833182485 601271723 /nfs/dbraw/zinc/27/17/23/601271723.db2.gz YFNIJUNFWXGCIB-MNOVXSKESA-N -1 0 322.324 2.056 20 10 DECDRM COC[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000831666104 601381034 /nfs/dbraw/zinc/38/10/34/601381034.db2.gz GYFZEQKJKLBEFB-SMYYYNMVSA-N -1 0 306.318 2.308 20 10 DECDRM CC(C)[C@@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824065418 603028429 /nfs/dbraw/zinc/02/84/29/603028429.db2.gz VSMBOTVSZFMUBW-DOMZBBRYSA-N -1 0 321.421 2.470 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000829484150 603570117 /nfs/dbraw/zinc/57/01/17/603570117.db2.gz PUCFIBOCYXNKAF-AXFHLTTASA-N -1 0 322.361 2.014 20 10 DECDRM CS/C=C/C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000829716448 603595551 /nfs/dbraw/zinc/59/55/51/603595551.db2.gz IDOATIFWLKSUJT-XEHSLEBBSA-N -1 0 323.418 2.054 20 10 DECDRM O=C([O-])c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000833102960 604918289 /nfs/dbraw/zinc/91/82/89/604918289.db2.gz YSOGZEDQXMDNMB-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM C[C@H]1CCOCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833616319 605051642 /nfs/dbraw/zinc/05/16/42/605051642.db2.gz AUCINWOJBICPLE-TZNOJPMFSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC[C@H]1C(=O)[O-] ZINC000833566924 605528998 /nfs/dbraw/zinc/52/89/98/605528998.db2.gz IXJWTCFYIKOUBY-KDMDQEEYSA-N -1 0 319.357 2.261 20 10 DECDRM CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCN1C(=O)[O-] ZINC000833842899 605754668 /nfs/dbraw/zinc/75/46/68/605754668.db2.gz BEFCJCBGLRUCPN-QGZVFWFLSA-N -1 0 319.405 2.291 20 10 DECDRM O=C([O-])NCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000834234777 605902200 /nfs/dbraw/zinc/90/22/00/605902200.db2.gz WKKKXNPXWLSPPX-UHFFFAOYSA-N -1 0 319.405 2.341 20 10 DECDRM Cn1ccc(CN2CCCc3cc(CNC(=O)[O-])ccc32)n1 ZINC000833950890 606002585 /nfs/dbraw/zinc/00/25/85/606002585.db2.gz PWWUYKCUWMIXOH-UHFFFAOYSA-N -1 0 300.362 2.141 20 10 DECDRM Cc1cc(CN2CCN(Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC000893910241 636063410 /nfs/dbraw/zinc/06/34/10/636063410.db2.gz IIELYRNHHCZKRI-UHFFFAOYSA-N -1 0 323.343 2.285 20 10 DECDRM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(F)c3[O-])[C@H]2C1 ZINC000894096756 636113119 /nfs/dbraw/zinc/11/31/19/636113119.db2.gz ZOQYGRIGEWIXQF-SNPRPXQTSA-N -1 0 313.344 2.439 20 10 DECDRM COCCCOC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839134129 637802151 /nfs/dbraw/zinc/80/21/51/637802151.db2.gz IWYOVSMEEADANT-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988345 650401491 /nfs/dbraw/zinc/40/14/91/650401491.db2.gz GFBHAONZZWBDFL-JSGCOSHPSA-N -1 0 319.405 2.320 20 10 DECDRM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000895861601 638228290 /nfs/dbraw/zinc/22/82/90/638228290.db2.gz FKFPCQWVIBVWKG-AAEUAGOBSA-N -1 0 313.781 2.246 20 10 DECDRM CC(C)NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805134794 639792594 /nfs/dbraw/zinc/79/25/94/639792594.db2.gz JLIGCDUOEQHIBF-UHFFFAOYSA-N -1 0 313.206 2.031 20 10 DECDRM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000763649342 640558335 /nfs/dbraw/zinc/55/83/35/640558335.db2.gz VBXGBLYIQQITQZ-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM CN(Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000775725111 642085180 /nfs/dbraw/zinc/08/51/80/642085180.db2.gz ICEWGARJWSFLOE-UHFFFAOYSA-N -1 0 323.817 2.440 20 10 DECDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc12 ZINC000776748404 642204462 /nfs/dbraw/zinc/20/44/62/642204462.db2.gz GKFVEXALEDBPKS-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)CSCC(=O)[O-])cc1 ZINC000842519514 650760048 /nfs/dbraw/zinc/76/00/48/650760048.db2.gz MRXWLCNCNAGGQU-UHFFFAOYSA-N -1 0 324.446 2.309 20 10 DECDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000794864549 644484496 /nfs/dbraw/zinc/48/44/96/644484496.db2.gz LPWUMOYZOQRSQY-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM C/C=C/C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000797715790 644911875 /nfs/dbraw/zinc/91/18/75/644911875.db2.gz UJXVXSGGRZSVFN-MUBLQREKSA-N -1 0 323.368 2.110 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC000799124077 645128841 /nfs/dbraw/zinc/12/88/41/645128841.db2.gz OGHVHWYQQZZMFX-UHFFFAOYSA-N -1 0 308.359 2.159 20 10 DECDRM Cc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1[O-] ZINC000839920126 645302213 /nfs/dbraw/zinc/30/22/13/645302213.db2.gz LMWVTDYBXGJMOY-LLVKDONJSA-N -1 0 316.405 2.159 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000911118571 645635851 /nfs/dbraw/zinc/63/58/51/645635851.db2.gz OKOIMHUGTIVLPR-UHFFFAOYSA-N -1 0 302.330 2.316 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C2(C(=O)[O-])CCCC2)c1 ZINC000911343612 645685847 /nfs/dbraw/zinc/68/58/47/645685847.db2.gz NDIHNNJOQWKEDM-JTQLQIEISA-N -1 0 307.346 2.223 20 10 DECDRM CC[C@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC000911490107 645722678 /nfs/dbraw/zinc/72/26/78/645722678.db2.gz YBWSVOIRBFPSGU-JSGCOSHPSA-N -1 0 321.373 2.011 20 10 DECDRM CC(C)OCCCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492429 645723136 /nfs/dbraw/zinc/72/31/36/645723136.db2.gz FYXDWTJORMYRAV-UHFFFAOYSA-N -1 0 309.362 2.011 20 10 DECDRM NC(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000812346093 646643144 /nfs/dbraw/zinc/64/31/44/646643144.db2.gz DHCFHZGTFIUVNZ-UHFFFAOYSA-N -1 0 305.265 2.151 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C(N)=O)C1 ZINC000816574905 647154084 /nfs/dbraw/zinc/15/40/84/647154084.db2.gz WCXJRYMSYULXHF-QPUJVOFHSA-N -1 0 300.761 2.271 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCS(=O)(=O)C1 ZINC000816592933 647156358 /nfs/dbraw/zinc/15/63/58/647156358.db2.gz YRVLGGSDHRVYEM-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM Cc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1F ZINC000731495721 647484779 /nfs/dbraw/zinc/48/47/79/647484779.db2.gz JOIUWDAYTZUAMV-BJMVGYQFSA-N -1 0 311.359 2.420 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000818625293 647491715 /nfs/dbraw/zinc/49/17/15/647491715.db2.gz XPMXOYQYKSQALS-UHFFFAOYSA-N -1 0 321.421 2.395 20 10 DECDRM CC(C)C[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)[O-] ZINC000818625368 647492090 /nfs/dbraw/zinc/49/20/90/647492090.db2.gz YVGLRGYVJDCEJE-ZDUSSCGKSA-N -1 0 308.378 2.281 20 10 DECDRM COC[C@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825158613 648714724 /nfs/dbraw/zinc/71/47/24/648714724.db2.gz SGQHRFZCGPCWAU-CQSZACIVSA-N -1 0 303.761 2.016 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2c[nH]nc2Cl)c(C)c(C)c1O ZINC000829915582 649373724 /nfs/dbraw/zinc/37/37/24/649373724.db2.gz KDOABNGGXLVPPB-UHFFFAOYSA-N -1 0 315.782 2.495 20 10 DECDRM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000844210855 651093409 /nfs/dbraw/zinc/09/34/09/651093409.db2.gz LYNSRYLHFYGUTF-KQKGQASGSA-N -1 0 320.345 2.432 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848587139 651476022 /nfs/dbraw/zinc/47/60/22/651476022.db2.gz RGONYFUZQLNPPV-GFCCVEGCSA-N -1 0 307.394 2.005 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000852943747 652482007 /nfs/dbraw/zinc/48/20/07/652482007.db2.gz YHEFGKBSDAIUTJ-BONVTDFDSA-N -1 0 321.373 2.469 20 10 DECDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000852944027 652482017 /nfs/dbraw/zinc/48/20/17/652482017.db2.gz HPOYSRNTUQJUQA-VIFPVBQESA-N -1 0 316.448 2.488 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1F ZINC000852946426 652482579 /nfs/dbraw/zinc/48/25/79/652482579.db2.gz SDIDYEIXOKAJKJ-ZDUSSCGKSA-N -1 0 310.369 2.255 20 10 DECDRM [O-]c1c(F)c(F)ccc1CNc1cccc(-n2cnnn2)c1 ZINC000864025260 686603529 /nfs/dbraw/zinc/60/35/29/686603529.db2.gz AWIVKVMIFARATI-UHFFFAOYSA-N -1 0 303.272 2.258 20 10 DECDRM CCOC(=O)c1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1C ZINC000871947506 688900125 /nfs/dbraw/zinc/90/01/25/688900125.db2.gz BYYCRKFVYJLFKN-ZCFIWIBFSA-N -1 0 300.236 2.006 20 10 DECDRM CCC[C@H](C)N(C)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872942448 689125708 /nfs/dbraw/zinc/12/57/08/689125708.db2.gz FGPRUWXGWCEQHG-ZDUSSCGKSA-N -1 0 322.405 2.233 20 10 DECDRM CC(C)C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C(=O)[O-] ZINC000874405901 689404457 /nfs/dbraw/zinc/40/44/57/689404457.db2.gz WFXWLTPHCFKLTN-LBPRGKRZSA-N -1 0 306.362 2.164 20 10 DECDRM CC(C)c1nnc2n1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC000876710594 689911435 /nfs/dbraw/zinc/91/14/35/689911435.db2.gz LWIRNOUGJIXWOS-UHFFFAOYSA-N -1 0 308.332 2.401 20 10 DECDRM CCN(CC)c1ccc(C[NH2+]C[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC001331997243 1149805206 /nfs/dbraw/zinc/80/52/06/1149805206.db2.gz BOECUBNNNFTFIH-KRWDZBQOSA-N -1 0 322.405 2.188 20 10 DECDRM C[C@](CO)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC(=O)[O-] ZINC001331997864 1149805389 /nfs/dbraw/zinc/80/53/89/1149805389.db2.gz HODRYMDCHHJVLF-CYBMUJFWSA-N -1 0 322.188 2.262 20 10 DECDRM CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1N ZINC001147884413 791647153 /nfs/dbraw/zinc/64/71/53/791647153.db2.gz SGEBSGCQGWEPSX-UHFFFAOYSA-N -1 0 308.341 2.025 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(F)c(C(=O)[O-])c1 ZINC001175220659 794161718 /nfs/dbraw/zinc/16/17/18/794161718.db2.gz VRFVIZLUZIVXSV-UHFFFAOYSA-N -1 0 324.333 2.204 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)C[C@@H]1C ZINC001139126569 796327609 /nfs/dbraw/zinc/32/76/09/796327609.db2.gz KWLJCBVHQPVKGG-NSHDSACASA-N -1 0 301.342 2.360 20 10 DECDRM CCOC(=O)[C@@H]1CSCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139686581 796410266 /nfs/dbraw/zinc/41/02/66/796410266.db2.gz BGNRCCKQZNTLMX-LBPRGKRZSA-N -1 0 317.357 2.151 20 10 DECDRM CC(=O)Nc1cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)ccn1 ZINC001193605341 797601935 /nfs/dbraw/zinc/60/19/35/797601935.db2.gz FAKOSSWTNSDPPB-UHFFFAOYSA-N -1 0 321.720 2.357 20 10 DECDRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC001231452165 801668892 /nfs/dbraw/zinc/66/88/92/801668892.db2.gz CDOAUYPROPXWLN-MRXNPFEDSA-N -1 0 314.341 2.059 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc(Cl)c1O ZINC001216086720 801936166 /nfs/dbraw/zinc/93/61/66/801936166.db2.gz FOFMNEXJRQKYBK-UHFFFAOYSA-N -1 0 313.766 2.132 20 10 DECDRM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CC[N@@H+]1C ZINC001233032130 802009727 /nfs/dbraw/zinc/00/97/27/802009727.db2.gz VAKYOCXBOCHMAT-SECBINFHSA-N -1 0 317.202 2.430 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H](C(=O)OC)C1 ZINC001233496089 802134247 /nfs/dbraw/zinc/13/42/47/802134247.db2.gz WRJRTKWHPRMQGU-AOOOYVTPSA-N -1 0 308.330 2.411 20 10 DECDRM CC[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001589545714 955197905 /nfs/dbraw/zinc/19/79/05/955197905.db2.gz DXBDRKLIXQJJKL-SSDOTTSWSA-N -1 0 309.343 2.153 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589079018 955838092 /nfs/dbraw/zinc/83/80/92/955838092.db2.gz ICGQBSKWEHMIDE-MEBBXXQBSA-N -1 0 321.373 2.036 20 10 DECDRM CC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001335191492 961903198 /nfs/dbraw/zinc/90/31/98/961903198.db2.gz DNXUPCFHCJBVDG-SSDOTTSWSA-N -1 0 320.158 2.494 20 10 DECDRM CC(C)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001588950313 962568200 /nfs/dbraw/zinc/56/82/00/962568200.db2.gz ZOZLRYDGHCDXEV-GFCCVEGCSA-N -1 0 309.343 2.152 20 10 DECDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)/C=C/c1cnn(C)c1 ZINC000319848857 970580119 /nfs/dbraw/zinc/58/01/19/970580119.db2.gz NCXVAUYZPXNIDJ-BQYQJAHWSA-N -1 0 313.357 2.250 20 10 DECDRM CC(C)n1cc(COc2ccc(N(C)C)c(C(=O)[O-])c2)nn1 ZINC001592126837 976950982 /nfs/dbraw/zinc/95/09/82/976950982.db2.gz JHVYCHNEOLADEG-UHFFFAOYSA-N -1 0 304.350 2.202 20 10 DECDRM CCCn1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC001596113569 983443635 /nfs/dbraw/zinc/44/36/35/983443635.db2.gz PPAFEYNBTSRZOM-UHFFFAOYSA-N -1 0 303.362 2.393 20 10 DECDRM CCOC(=O)CN(CCCCC(=O)[O-])Cc1ccccc1O ZINC001596622138 984597701 /nfs/dbraw/zinc/59/77/01/984597701.db2.gz HPEPHZFRSKCNNP-UHFFFAOYSA-N -1 0 309.362 2.012 20 10 DECDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1O ZINC001599894425 984734772 /nfs/dbraw/zinc/73/47/72/984734772.db2.gz SYGJTAWCFSRCSG-LZFBMIIGSA-N -1 0 318.373 2.252 20 10 DECDRM C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CC(=O)[O-] ZINC001599856626 989098730 /nfs/dbraw/zinc/09/87/30/989098730.db2.gz NUOLOAFDRFWUKO-TZMCWYRMSA-N -1 0 319.405 2.005 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C(=O)[O-])n1C ZINC001598333442 991373244 /nfs/dbraw/zinc/37/32/44/991373244.db2.gz DYEWNJPGKJNLRS-UHFFFAOYSA-N -1 0 315.373 2.188 20 10 DECDRM CN(Cc1ccccc1O)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001598530343 992771049 /nfs/dbraw/zinc/77/10/49/992771049.db2.gz AHAOFJXQPIWOPF-VOTSOKGWSA-N -1 0 301.298 2.355 20 10 DECDRM CC(C)[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1nncn1C ZINC001593209059 994233567 /nfs/dbraw/zinc/23/35/67/994233567.db2.gz HPQWMCVYSCDJBN-YGRLFVJLSA-N -1 0 318.377 2.267 20 10 DECDRM COc1cccc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)c1O ZINC001599674047 994865378 /nfs/dbraw/zinc/86/53/78/994865378.db2.gz YCHZEPRPGPNRJX-OAHLLOKOSA-N -1 0 315.325 2.253 20 10 DECDRM COC1CC(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001599098166 997322768 /nfs/dbraw/zinc/32/27/68/997322768.db2.gz YKVBRCDGJHYTFX-UHFFFAOYSA-N -1 0 313.781 2.357 20 10 DECDRM C/C(=C\CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001602972959 1069813369 /nfs/dbraw/zinc/81/33/69/1069813369.db2.gz OBCYJDBBSRBFKI-ZKQHCESOSA-N -1 0 305.378 2.144 20 10 DECDRM C/C(=C/CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001602972957 1069815104 /nfs/dbraw/zinc/81/51/04/1069815104.db2.gz OBCYJDBBSRBFKI-UCQJPZFISA-N -1 0 305.378 2.144 20 10 DECDRM CCCCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC001605257979 1070661877 /nfs/dbraw/zinc/66/18/77/1070661877.db2.gz BLSICCYHXPNTKW-YPUOHESYSA-N -1 0 307.346 2.261 20 10 DECDRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(O)c1O ZINC001607734202 1071540713 /nfs/dbraw/zinc/54/07/13/1071540713.db2.gz QJMRVUPBLLEKRL-UHFFFAOYSA-N -1 0 303.270 2.062 20 10 DECDRM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)[nH]1 ZINC001640405122 1078658750 /nfs/dbraw/zinc/65/87/50/1078658750.db2.gz MQIFJMUAFGQUIO-UHFFFAOYSA-N -1 0 308.721 2.090 20 10 DECDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc21 ZINC001641490432 1078715188 /nfs/dbraw/zinc/71/51/88/1078715188.db2.gz CTYWUCGLZTVFJN-UHFFFAOYSA-N -1 0 317.276 2.082 20 10 DECDRM COC(=O)[C@@H]1CCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235293855 1079010967 /nfs/dbraw/zinc/01/09/67/1079010967.db2.gz CSNWUHYSEMDEPO-JTQLQIEISA-N -1 0 318.142 2.041 20 10 DECDRM Cc1ccc(O)c(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001600465053 1077207116 /nfs/dbraw/zinc/20/71/16/1077207116.db2.gz OVCFBOXMBGOPKY-UHFFFAOYSA-N -1 0 303.358 2.352 20 10 DECDRM O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001601809396 1077456583 /nfs/dbraw/zinc/45/65/83/1077456583.db2.gz RIOIIAAHADKEMB-GXSJLCMTSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])CCC1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001601974258 1077486893 /nfs/dbraw/zinc/48/68/93/1077486893.db2.gz FVIDPHAYZCBKQA-UHFFFAOYSA-N -1 0 321.373 2.324 20 10 DECDRM O=C([O-])c1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)c[nH]1 ZINC001602255037 1077535082 /nfs/dbraw/zinc/53/50/82/1077535082.db2.gz XSINFQNRUCIBOM-YHYXMXQVSA-N -1 0 308.384 2.467 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+][C@H](C(=O)[O-])C2CC2)c1 ZINC001610431991 1078018820 /nfs/dbraw/zinc/01/88/20/1078018820.db2.gz DPCQKLYMIKWTRY-NSHDSACASA-N -1 0 314.179 2.416 20 10 DECDRM COc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])c(OC)n1 ZINC001657612318 1080180290 /nfs/dbraw/zinc/18/02/90/1080180290.db2.gz LIFLFRFCQSAXBD-UHFFFAOYSA-N -1 0 305.290 2.325 20 10 DECDRM [O-]c1c(F)c(F)ccc1CNc1ccc(-n2cncn2)cn1 ZINC001657986613 1080192679 /nfs/dbraw/zinc/19/26/79/1080192679.db2.gz AKVIXFACERSSDM-UHFFFAOYSA-N -1 0 303.272 2.258 20 10 DECDRM CCN1C[C@@H](C)N(Cc2cc(F)cc(Cl)c2[O-])CC1=O ZINC001237804317 1080493101 /nfs/dbraw/zinc/49/31/01/1080493101.db2.gz CVYFSTXFLVDYIJ-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM COc1ccc(CN2CC(=O)NC3(CCCC3)C2)c([O-])c1Cl ZINC001236819623 1138438080 /nfs/dbraw/zinc/43/80/80/1138438080.db2.gz XUQXNEMNYJACEK-UHFFFAOYSA-N -1 0 324.808 2.299 20 10 DECDRM Cc1cc(-c2nccn2C)c(-c2cnc(F)c(C(=O)[O-])c2)nn1 ZINC001244753851 1140436065 /nfs/dbraw/zinc/43/60/65/1140436065.db2.gz YAOMJAKFXJSTKL-UHFFFAOYSA-N -1 0 313.292 2.085 20 10 DECDRM O=S(=O)(N=c1cc[nH]cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383821 1142425599 /nfs/dbraw/zinc/42/55/99/1142425599.db2.gz IXKDEPOQXLZEIG-UHFFFAOYSA-N -1 0 319.169 2.317 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1c(F)cccc1F ZINC001259068389 1144062849 /nfs/dbraw/zinc/06/28/49/1144062849.db2.gz IGLZFLBMSIRYRO-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM CN(C)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260441365 1144187305 /nfs/dbraw/zinc/18/73/05/1144187305.db2.gz FNOBLCWRVZKALO-UHFFFAOYSA-N -1 0 318.358 2.090 20 10 DECDRM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000285169729 131144454 /nfs/dbraw/zinc/14/44/54/131144454.db2.gz VBAJAPRSKUYEST-ZDUSSCGKSA-N -1 0 311.765 2.289 20 10 DECDRM O=S(=O)(C[C@H]1CCCO1)Nc1cc(Cl)c([O-])cc1F ZINC000288223780 131316736 /nfs/dbraw/zinc/31/67/36/131316736.db2.gz MVZACZWXUXTEAE-SSDOTTSWSA-N -1 0 309.746 2.105 20 10 DECDRM CC(C)OCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000288276813 131319019 /nfs/dbraw/zinc/31/90/19/131319019.db2.gz QWVPRHODVCIMOV-UHFFFAOYSA-N -1 0 311.762 2.351 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)S1(=O)=O ZINC000293812329 403569768 /nfs/dbraw/zinc/56/97/68/403569768.db2.gz FHJPYAMLTFADHL-DTORHVGOSA-N -1 0 321.801 2.192 20 10 DECDRM [O-]c1cc(F)c(Cl)cc1CN1CCN(c2cnccn2)CC1 ZINC000295425102 403916343 /nfs/dbraw/zinc/91/63/43/403916343.db2.gz SPGTUIPVFPVVPO-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[S@@](=O)C1 ZINC000365446207 404663182 /nfs/dbraw/zinc/66/31/82/404663182.db2.gz HKFIVWIKUXAVBY-ZRNGKTOUSA-N -1 0 305.802 2.385 20 10 DECDRM COCC[C@@H]1COCCN1Cc1c([O-])ccc(Cl)c1F ZINC000365795375 404721722 /nfs/dbraw/zinc/72/17/22/404721722.db2.gz AQUUWBKBVXQXCC-SNVBAGLBSA-N -1 0 303.761 2.422 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000818390619 597051075 /nfs/dbraw/zinc/05/10/75/597051075.db2.gz BAAUCXJJUDMDQE-CQSZACIVSA-N -1 0 319.405 2.149 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)[O-] ZINC000737106568 599751903 /nfs/dbraw/zinc/75/19/03/599751903.db2.gz SEMNDZOHWPTVEL-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM CN(C)c1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000737379835 600010444 /nfs/dbraw/zinc/01/04/44/600010444.db2.gz ZFVQHPKRQKYRFM-UHFFFAOYSA-N -1 0 319.405 2.195 20 10 DECDRM O=C([O-])c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000739431092 600641149 /nfs/dbraw/zinc/64/11/49/600641149.db2.gz VWGFRHGONXRZQT-UHFFFAOYSA-N -1 0 316.313 2.160 20 10 DECDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000833179223 600723371 /nfs/dbraw/zinc/72/33/71/600723371.db2.gz NUFOZMQOXOVHAS-UONOGXRCSA-N -1 0 315.325 2.235 20 10 DECDRM O=C([O-])c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)[nH]1 ZINC000833360281 601446004 /nfs/dbraw/zinc/44/60/04/601446004.db2.gz DVIVNQJITHHOBJ-DHZHZOJOSA-N -1 0 305.359 2.169 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)CCSCC(=O)[O-] ZINC000829496488 602296347 /nfs/dbraw/zinc/29/63/47/602296347.db2.gz DJMXUUQOEFWHOB-UHFFFAOYSA-N -1 0 311.403 2.339 20 10 DECDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000736368326 603115809 /nfs/dbraw/zinc/11/58/09/603115809.db2.gz MQVMRDJAFSBFGL-SECBINFHSA-N -1 0 317.436 2.034 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828400383 603489777 /nfs/dbraw/zinc/48/97/77/603489777.db2.gz ZEJVACIYTKEEEI-WCQYABFASA-N -1 0 306.362 2.177 20 10 DECDRM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000824863554 604225484 /nfs/dbraw/zinc/22/54/84/604225484.db2.gz WWLIPTBJLANULP-LLVKDONJSA-N -1 0 320.389 2.133 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833695173 605028349 /nfs/dbraw/zinc/02/83/49/605028349.db2.gz JXVJNVMXSOCYGR-UHFFFAOYSA-N -1 0 313.357 2.118 20 10 DECDRM CC(C)c1nnc(CN(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000833511998 605434497 /nfs/dbraw/zinc/43/44/97/605434497.db2.gz KNONEXARFRRMOV-UHFFFAOYSA-N -1 0 305.334 2.293 20 10 DECDRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000824282635 605587870 /nfs/dbraw/zinc/58/78/70/605587870.db2.gz BYEKYOWYIQOAEJ-HNNXBMFYSA-N -1 0 321.421 2.393 20 10 DECDRM CC[C@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1 ZINC000833838934 605675349 /nfs/dbraw/zinc/67/53/49/605675349.db2.gz SQAYVGNHQPHPIL-MRXNPFEDSA-N -1 0 307.394 2.053 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCCN2C(=O)[O-])cc1 ZINC000833874319 605677804 /nfs/dbraw/zinc/67/78/04/605677804.db2.gz HWDSWJKDXASILW-QGZVFWFLSA-N -1 0 319.405 2.244 20 10 DECDRM Cc1nn(C)cc1CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000833919414 605816336 /nfs/dbraw/zinc/81/63/36/605816336.db2.gz JNJMFSWLTQBGPO-UHFFFAOYSA-N -1 0 314.389 2.449 20 10 DECDRM COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CNC(=O)[O-])cc1OC ZINC000833887346 605989438 /nfs/dbraw/zinc/98/94/38/605989438.db2.gz FCRRZVNWDKKHJV-LBPRGKRZSA-N -1 0 324.377 2.032 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000756333630 639651197 /nfs/dbraw/zinc/65/11/97/639651197.db2.gz RQOYUBOEHDPNMC-AWEZNQCLSA-N -1 0 320.276 2.355 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N(CC(=O)[O-])CC(C)C ZINC000780575678 642644534 /nfs/dbraw/zinc/64/45/34/642644534.db2.gz FHIUBAQBGTURQG-UHFFFAOYSA-N -1 0 321.421 2.313 20 10 DECDRM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCS(=O)(=O)C1 ZINC000792166958 644082313 /nfs/dbraw/zinc/08/23/13/644082313.db2.gz WNUBLGDOTZYQLN-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792168980 644083341 /nfs/dbraw/zinc/08/33/41/644083341.db2.gz HRTVHTOKFUPKGL-CYBMUJFWSA-N -1 0 305.708 2.272 20 10 DECDRM C/C=C\C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000797715787 644911675 /nfs/dbraw/zinc/91/16/75/644911675.db2.gz UJXVXSGGRZSVFN-DSYXLKISSA-N -1 0 323.368 2.110 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC000797820269 644927534 /nfs/dbraw/zinc/92/75/34/644927534.db2.gz OFWPIBCYYOJGBO-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C2(C(=O)[O-])CCCC2)cc1 ZINC000911118407 645636042 /nfs/dbraw/zinc/63/60/42/645636042.db2.gz MLBYLUUJQZWZQP-UHFFFAOYSA-N -1 0 304.390 2.356 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)[O-])CCCC1 ZINC000911409468 645700173 /nfs/dbraw/zinc/70/01/73/645700173.db2.gz KFXFFZKSODOHDA-UHFFFAOYSA-N -1 0 304.390 2.322 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1csc(C(=O)[O-])n1 ZINC000911410533 645701286 /nfs/dbraw/zinc/70/12/86/645701286.db2.gz UWOJLHMSAQCSAX-UHFFFAOYSA-N -1 0 319.386 2.146 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCc1ccco1 ZINC000911484268 645720478 /nfs/dbraw/zinc/72/04/78/645720478.db2.gz MBYNZFKJTPDQBA-UHFFFAOYSA-N -1 0 303.314 2.031 20 10 DECDRM O=C(Cc1cc[nH]n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839758 645995492 /nfs/dbraw/zinc/99/54/92/645995492.db2.gz KWHDHUGLSYJZSW-UHFFFAOYSA-N -1 0 300.145 2.281 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ccc2nnnn2n1 ZINC000808090000 646029257 /nfs/dbraw/zinc/02/92/57/646029257.db2.gz OJTXYFHBYURBTR-UHFFFAOYSA-N -1 0 311.132 2.144 20 10 DECDRM O=S(=O)(C[C@H]1CCCOC1)Nc1cc(Cl)c([O-])cc1F ZINC000808115172 646034746 /nfs/dbraw/zinc/03/47/46/646034746.db2.gz RRHKREAQJILTLQ-QMMMGPOBSA-N -1 0 323.773 2.353 20 10 DECDRM Cc1cc(C=C2SC(=S)NC2=O)ccc1-n1cncn1 ZINC000172814026 646752201 /nfs/dbraw/zinc/75/22/01/646752201.db2.gz XFVKVEBLQZVVHG-VZUCSPMQSA-N -1 0 302.384 2.065 20 10 DECDRM O=C1N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N2CCSC[C@H]12 ZINC000765508760 647610159 /nfs/dbraw/zinc/61/01/59/647610159.db2.gz MHRNRKDRHPWOCA-MWLCHTKSSA-N -1 0 319.213 2.245 20 10 DECDRM CCCCN1CC(=O)N[C@@H]1c1cccc(Br)c1[O-] ZINC000917506045 648007452 /nfs/dbraw/zinc/00/74/52/648007452.db2.gz LWFCDVDXSCALCG-ZDUSSCGKSA-N -1 0 313.195 2.385 20 10 DECDRM Cn1[n-]c(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1=O ZINC000824261439 648555051 /nfs/dbraw/zinc/55/50/51/648555051.db2.gz CXFIEAKWLDYIHB-UHFFFAOYSA-N -1 0 314.389 2.046 20 10 DECDRM COc1cccnc1CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825250101 648730542 /nfs/dbraw/zinc/73/05/42/648730542.db2.gz VACFUGRKKXIGHP-UHFFFAOYSA-N -1 0 319.317 2.002 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000844210445 651092904 /nfs/dbraw/zinc/09/29/04/651092904.db2.gz XQSPASRSJRJIQK-RYWCDNDXSA-N -1 0 320.345 2.291 20 10 DECDRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042454 693884842 /nfs/dbraw/zinc/88/48/42/693884842.db2.gz FGZNUUJDSGPEFD-NEPJUHHUSA-N -1 0 319.405 2.461 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N(C)CCC(C)C)cc1 ZINC000872893198 689114420 /nfs/dbraw/zinc/11/44/20/689114420.db2.gz GDZLSCYQKSPGLX-UHFFFAOYSA-N -1 0 322.405 2.091 20 10 DECDRM C[C@H](N[C@H](CCO)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886801066 692195037 /nfs/dbraw/zinc/19/50/37/692195037.db2.gz HGUIMPCVHKQALH-WRWORJQWSA-N -1 0 308.256 2.264 20 10 DECDRM O=C(Nc1ccnn1CC1CC1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878355 791644887 /nfs/dbraw/zinc/64/48/87/791644887.db2.gz CPQUQAKFYQVPBN-UHFFFAOYSA-N -1 0 323.356 2.025 20 10 DECDRM Cc1cc2n(n1)c(=O)cc(C)n2Cc1c(F)ccc(F)c1[O-] ZINC001139684556 794926054 /nfs/dbraw/zinc/92/60/54/794926054.db2.gz ZCJDJCJUECYIJI-UHFFFAOYSA-N -1 0 305.284 2.145 20 10 DECDRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc(O)c1O ZINC001185123292 796193821 /nfs/dbraw/zinc/19/38/21/796193821.db2.gz GUYHQCLCUUPWRM-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM CCOCc1ncn2c1CN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682812 796410364 /nfs/dbraw/zinc/41/03/64/796410364.db2.gz CUJWXSXTXCSOET-UHFFFAOYSA-N -1 0 323.343 2.419 20 10 DECDRM C[C@@H](NS(=O)(=O)c1ncc(F)cc1F)c1ccccc1O ZINC001190197211 796962081 /nfs/dbraw/zinc/96/20/81/796962081.db2.gz VPDKFDSTCNYXBN-MRVPVSSYSA-N -1 0 314.313 2.105 20 10 DECDRM O=C(NCc1ncn2ccccc12)c1cc(O)c([O-])c(Cl)c1 ZINC001193633651 797597781 /nfs/dbraw/zinc/59/77/81/797597781.db2.gz CXKLCYWSWQCCIA-UHFFFAOYSA-N -1 0 317.732 2.329 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2ccc(O)c(O)c2)cc1 ZINC001197132011 798146376 /nfs/dbraw/zinc/14/63/76/798146376.db2.gz UJLVRRBKWFQZQC-UHFFFAOYSA-N -1 0 318.354 2.283 20 10 DECDRM [O-]c1c(Cl)cc(Cl)cc1CN1CC(N2CCOCC2)C1 ZINC001203579995 800083735 /nfs/dbraw/zinc/08/37/35/800083735.db2.gz IHUKDLOEEQJBGP-UHFFFAOYSA-N -1 0 317.216 2.215 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCOC[C@@H]2c2cccnc2)c1 ZINC001231565709 801688193 /nfs/dbraw/zinc/68/81/93/801688193.db2.gz AKFZYYFHUICYHP-OAHLLOKOSA-N -1 0 314.341 2.059 20 10 DECDRM Nc1ccc(N(CCO)c2cc(CC(=O)[O-])ccc2F)cc1 ZINC001216683097 802012629 /nfs/dbraw/zinc/01/26/29/802012629.db2.gz JKCVWLWPVVIEFO-UHFFFAOYSA-N -1 0 304.321 2.165 20 10 DECDRM Nc1cncc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000320850655 802776778 /nfs/dbraw/zinc/77/67/78/802776778.db2.gz MBOHKFSLZFDHCF-UHFFFAOYSA-N -1 0 318.402 2.065 20 10 DECDRM CCn1c(C2SC=CC2=O)nnc1N1CCC(C(=O)[O-])CC1 ZINC001593658614 953773099 /nfs/dbraw/zinc/77/30/99/953773099.db2.gz APGDCSSTJIEJGW-UHFFFAOYSA-N -1 0 322.390 2.033 20 10 DECDRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC001594344487 958316640 /nfs/dbraw/zinc/31/66/40/958316640.db2.gz ALTGZNGAFJXYSZ-DRZSPHRISA-N -1 0 319.357 2.264 20 10 DECDRM O=C([O-])c1ccnc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001605806602 972518572 /nfs/dbraw/zinc/51/85/72/972518572.db2.gz ICIPHDVBTVGJBD-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC001332477265 961584992 /nfs/dbraw/zinc/58/49/92/961584992.db2.gz RCBKZJPZNNEPQD-JOTVFPGJSA-N -1 0 318.142 2.247 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC001592882406 979751678 /nfs/dbraw/zinc/75/16/78/979751678.db2.gz DMGWFBWDMAHEDG-QMMMGPOBSA-N -1 0 321.354 2.219 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595890979 982923254 /nfs/dbraw/zinc/92/32/54/982923254.db2.gz IICCDOLVXITFER-UHFFFAOYSA-N -1 0 302.330 2.471 20 10 DECDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1O ZINC001599840096 988812381 /nfs/dbraw/zinc/81/23/81/988812381.db2.gz CLADIOGCCUKIRD-SECBINFHSA-N -1 0 301.302 2.368 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001598530805 992777355 /nfs/dbraw/zinc/77/73/55/992777355.db2.gz SUXQFQOXGXADTG-UHFFFAOYSA-N -1 0 321.358 2.140 20 10 DECDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001593056599 993567895 /nfs/dbraw/zinc/56/78/95/993567895.db2.gz WIOBJRYOERFEJP-SLEUVZQESA-N -1 0 319.405 2.318 20 10 DECDRM C[C@H](O)CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001593462076 995380656 /nfs/dbraw/zinc/38/06/56/995380656.db2.gz DITYOPKSRCTXCI-HTZNOQTFSA-N -1 0 306.318 2.042 20 10 DECDRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001604289779 1070313361 /nfs/dbraw/zinc/31/33/61/1070313361.db2.gz BNHQRDNZNSWCDB-BNOWGMLFSA-N -1 0 319.405 2.366 20 10 DECDRM C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C(=O)[O-])O1 ZINC001607437971 1071443083 /nfs/dbraw/zinc/44/30/83/1071443083.db2.gz MVWMGEIHAFWZNM-YGRLFVJLSA-N -1 0 323.389 2.069 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+]CC2(C(=O)[O-])CC2)c1 ZINC001607563286 1071478072 /nfs/dbraw/zinc/47/80/72/1071478072.db2.gz XCEYQXVQTZBCNO-UHFFFAOYSA-N -1 0 314.179 2.418 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1ccccn1 ZINC001610780428 1078075510 /nfs/dbraw/zinc/07/55/10/1078075510.db2.gz QAQBOWFTMSDHQV-UHFFFAOYSA-N -1 0 320.732 2.168 20 10 DECDRM Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000036961542 1078199412 /nfs/dbraw/zinc/19/94/12/1078199412.db2.gz QWBGBBMRSLCLOG-UHFFFAOYSA-N -1 0 324.362 2.213 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001558454370 1075094513 /nfs/dbraw/zinc/09/45/13/1075094513.db2.gz FXHMIEBBXLOIRF-UHFFFAOYSA-N -1 0 306.249 2.075 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC001558454814 1075094754 /nfs/dbraw/zinc/09/47/54/1075094754.db2.gz MXSXUSIOQYSUFQ-UHFFFAOYSA-N -1 0 306.249 2.075 20 10 DECDRM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(O)c1O ZINC001594347095 1077053535 /nfs/dbraw/zinc/05/35/35/1077053535.db2.gz USYSCXVSIYNUIL-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+]C(C)(C)C(=O)[O-])c1 ZINC001600070783 1077131409 /nfs/dbraw/zinc/13/14/09/1077131409.db2.gz HOMLGJVREPDYJR-UHFFFAOYSA-N -1 0 302.168 2.416 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600087376 1077134740 /nfs/dbraw/zinc/13/47/40/1077134740.db2.gz DTCXEFFXEBNJRL-VIFPVBQESA-N -1 0 319.313 2.058 20 10 DECDRM Cc1ncccc1/C=C\C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001600751375 1077262207 /nfs/dbraw/zinc/26/22/07/1077262207.db2.gz CBZGICPDIIMYFY-QWGSZXSUSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])Cc1occc1C(=O)Nc1c2nonc2ccc1Cl ZINC001602155061 1077517223 /nfs/dbraw/zinc/51/72/23/1077517223.db2.gz BEFJKYIPNNKFPY-UHFFFAOYSA-N -1 0 321.676 2.349 20 10 DECDRM O=C([O-])c1ccc(F)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001608363424 1077632075 /nfs/dbraw/zinc/63/20/75/1077632075.db2.gz HDQGODUAYKHUJV-UHFFFAOYSA-N -1 0 305.261 2.116 20 10 DECDRM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001608533251 1077651843 /nfs/dbraw/zinc/65/18/43/1077651843.db2.gz WIBVOHOOSPPNLW-ZYHUDNBSSA-N -1 0 317.744 2.297 20 10 DECDRM O=C([O-])C1(C(=O)N2Cc3cccc(O)c3C2)CC2(CCC2)C1 ZINC001608565089 1077656728 /nfs/dbraw/zinc/65/67/28/1077656728.db2.gz KESIZSBVRKIHNF-UHFFFAOYSA-N -1 0 301.342 2.270 20 10 DECDRM O=C([O-])c1cnc(Sc2ncc([N+](=O)[O-])cc2F)s1 ZINC001608979269 1077732023 /nfs/dbraw/zinc/73/20/23/1077732023.db2.gz SCMUSCUDARMZAM-UHFFFAOYSA-N -1 0 301.280 2.435 20 10 DECDRM O=C([O-])[C@@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001609011773 1077740363 /nfs/dbraw/zinc/74/03/63/1077740363.db2.gz DYQUZDGXWUQFLJ-ZDUSSCGKSA-N -1 0 306.245 2.220 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609977441 1077961999 /nfs/dbraw/zinc/96/19/99/1077961999.db2.gz AVIBPKSQLUEOSM-UHFFFAOYSA-N -1 0 302.330 2.471 20 10 DECDRM COCCc1ccnc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001654565876 1079969780 /nfs/dbraw/zinc/96/97/80/1079969780.db2.gz FPAKPDOBRJBOMX-UHFFFAOYSA-N -1 0 306.293 2.073 20 10 DECDRM CC(C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)C[C@H](C)CC2 ZINC001252433540 1093548496 /nfs/dbraw/zinc/54/84/96/1093548496.db2.gz NQCRWCNOJBLTFC-MRVPVSSYSA-N -1 0 316.448 2.122 20 10 DECDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC001251400958 1142429850 /nfs/dbraw/zinc/42/98/50/1142429850.db2.gz GTUVUNUDTWTMCC-KNVOCYPGSA-N -1 0 308.186 2.339 20 10 DECDRM CC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001339714405 1143085147 /nfs/dbraw/zinc/08/51/47/1143085147.db2.gz CDBBFHQCKYCUMH-NEPJUHHUSA-N -1 0 307.394 2.224 20 10 DECDRM CC[C@@H](CNC(=O)NCCCSc1nccs1)C(=O)[O-] ZINC001341361195 1143589347 /nfs/dbraw/zinc/58/93/47/1143589347.db2.gz BMKGQSLHYKXNLY-VIFPVBQESA-N -1 0 317.436 2.035 20 10 DECDRM CCCOc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC001262164622 1144297257 /nfs/dbraw/zinc/29/72/57/1144297257.db2.gz OZYNNCMZMOHZOY-CYBMUJFWSA-N -1 0 309.362 2.049 20 10 DECDRM C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546781 130134781 /nfs/dbraw/zinc/13/47/81/130134781.db2.gz ZOAPDUGXTKRXKN-WRWORJQWSA-N -1 0 308.256 2.264 20 10 DECDRM CN(Cc1cnn(C)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000119684094 401963493 /nfs/dbraw/zinc/96/34/93/401963493.db2.gz RWDWVZPQWAEIOK-UHFFFAOYSA-N -1 0 310.741 2.319 20 10 DECDRM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000295328292 403858047 /nfs/dbraw/zinc/85/80/47/403858047.db2.gz PCEUYYXNSCWACI-ZUZCIYMTSA-N -1 0 311.353 2.418 20 10 DECDRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccn1 ZINC000178269670 224855787 /nfs/dbraw/zinc/85/57/87/224855787.db2.gz CEFUNRZGGGBNNT-CYBMUJFWSA-N -1 0 313.357 2.036 20 10 DECDRM CC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093050205 288178671 /nfs/dbraw/zinc/17/86/71/288178671.db2.gz OAMWCJXAPZXKQP-NSHDSACASA-N -1 0 303.189 2.409 20 10 DECDRM Cc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000262882005 301081437 /nfs/dbraw/zinc/08/14/37/301081437.db2.gz LSJTVXYWGPQRFE-GFCCVEGCSA-N -1 0 301.346 2.034 20 10 DECDRM CC(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191199092 526561453 /nfs/dbraw/zinc/56/14/53/526561453.db2.gz QQLMZKNWHSADHE-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756351532 598200095 /nfs/dbraw/zinc/20/00/95/598200095.db2.gz SJLWDLOGOJKVIL-AWEZNQCLSA-N -1 0 302.286 2.216 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000737415570 599727096 /nfs/dbraw/zinc/72/70/96/599727096.db2.gz ROWBJXOFUDWEBZ-UHFFFAOYSA-N -1 0 307.394 2.101 20 10 DECDRM CN(CCCC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-] ZINC000737427775 599746454 /nfs/dbraw/zinc/74/64/54/599746454.db2.gz YNXPVLTVUJDQSZ-UHFFFAOYSA-N -1 0 319.405 2.075 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000737089369 599975380 /nfs/dbraw/zinc/97/53/80/599975380.db2.gz TXZOWFZHYMRVRB-NEPJUHHUSA-N -1 0 308.353 2.009 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000734405705 600621995 /nfs/dbraw/zinc/62/19/95/600621995.db2.gz HOLDVOZQEVJWQJ-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CC[C@](F)(C(=O)[O-])C2)c1O ZINC000825946886 601435019 /nfs/dbraw/zinc/43/50/19/601435019.db2.gz VNTFMBYJENRVDQ-CQSZACIVSA-N -1 0 315.728 2.247 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000832424640 604371201 /nfs/dbraw/zinc/37/12/01/604371201.db2.gz HJLNLZYTBOLENW-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000821509554 604529795 /nfs/dbraw/zinc/52/97/95/604529795.db2.gz PALIEUYZIRYJLD-SNVBAGLBSA-N -1 0 300.152 2.204 20 10 DECDRM C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC000833630274 604669110 /nfs/dbraw/zinc/66/91/10/604669110.db2.gz QYVSCQKOMVLHCD-WCBMZHEXSA-N -1 0 314.179 2.307 20 10 DECDRM C[C@@H]1COCCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000399622908 604798027 /nfs/dbraw/zinc/79/80/27/604798027.db2.gz SBTQAVHYYMFPSD-DUMNWFOQSA-N -1 0 306.318 2.308 20 10 DECDRM CC(C)Cn1ncnc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000833495532 605434490 /nfs/dbraw/zinc/43/44/90/605434490.db2.gz GQSWMTMBOCKIGW-UHFFFAOYSA-N -1 0 318.377 2.034 20 10 DECDRM C[C@H](CS(C)(=O)=O)N(Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000894028215 636096048 /nfs/dbraw/zinc/09/60/48/636096048.db2.gz YBALPMZQYIXPGH-SECBINFHSA-N -1 0 319.373 2.068 20 10 DECDRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000895118381 637590144 /nfs/dbraw/zinc/59/01/44/637590144.db2.gz HNYQYRLVTSPPLL-YIZRAAEISA-N -1 0 300.761 2.282 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1csc([N+](=O)[O-])c1 ZINC000728697373 639288490 /nfs/dbraw/zinc/28/84/90/639288490.db2.gz ORYDJMQKUFDSBY-WDZFZDKYSA-N -1 0 315.310 2.118 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1nc(Cl)cs1 ZINC000759081958 640026019 /nfs/dbraw/zinc/02/60/19/640026019.db2.gz AQAXLWHJPGHLPB-RMKNXTFCSA-N -1 0 305.746 2.258 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC000901916015 642822437 /nfs/dbraw/zinc/82/24/37/642822437.db2.gz HDVUTBCFGXKWAB-UHFFFAOYSA-N -1 0 321.402 2.288 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1scnc1C1CC1 ZINC000782326674 642861734 /nfs/dbraw/zinc/86/17/34/642861734.db2.gz PLVXMVNADHPPRT-WQLSENKSSA-N -1 0 311.366 2.482 20 10 DECDRM C[S@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789980224 643798795 /nfs/dbraw/zinc/79/87/95/643798795.db2.gz WRFGCOOKMHDDLY-QFIPXVFZSA-N -1 0 323.345 2.368 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cnc1N ZINC000790416439 643849897 /nfs/dbraw/zinc/84/98/97/643849897.db2.gz ZIVYGGKWPURFMU-UHFFFAOYSA-N -1 0 307.375 2.041 20 10 DECDRM CN(CC(=O)N1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC000792157481 644081271 /nfs/dbraw/zinc/08/12/71/644081271.db2.gz XYKWGMRITFRKMT-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM COc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(O)c1 ZINC000794381680 644406552 /nfs/dbraw/zinc/40/65/52/644406552.db2.gz QYUGHQOLQVXBNG-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1O ZINC000797820444 644927631 /nfs/dbraw/zinc/92/76/31/644927631.db2.gz XZVCBXBKHHREQA-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c(C)n1C ZINC000911485399 645721168 /nfs/dbraw/zinc/72/11/68/645721168.db2.gz ZDGZQUNZKWWKPY-UHFFFAOYSA-N -1 0 316.357 2.075 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC12CC2 ZINC000911494177 645723118 /nfs/dbraw/zinc/72/31/18/645723118.db2.gz RQMBPPHIACVMFW-ZDUSSCGKSA-N -1 0 303.358 2.386 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000911492420 645723302 /nfs/dbraw/zinc/72/33/02/645723302.db2.gz FTGNYHZJRLIVLJ-KBPBESRZSA-N -1 0 303.358 2.242 20 10 DECDRM O=C(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835470 645996030 /nfs/dbraw/zinc/99/60/30/645996030.db2.gz GBYANAMGRHFMHT-UHFFFAOYSA-N -1 0 300.145 2.212 20 10 DECDRM O=C(C1CC1)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816482930 647139978 /nfs/dbraw/zinc/13/99/78/647139978.db2.gz YRGUBHZERAAFAE-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000831003819 649527549 /nfs/dbraw/zinc/52/75/49/649527549.db2.gz CDUJXGRRRUWQSO-DOMZBBRYSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@@H]1C[C@@H](CO)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218159 651094966 /nfs/dbraw/zinc/09/49/66/651094966.db2.gz NMWNJTAOSNJVFS-KJGKVODESA-N -1 0 320.345 2.147 20 10 DECDRM CO[C@H]1C[C@@H](N(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844219777 651095374 /nfs/dbraw/zinc/09/53/74/651095374.db2.gz WIWYULLUHQVBRM-FVSXHXCTSA-N -1 0 306.318 2.306 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848587140 651476172 /nfs/dbraw/zinc/47/61/72/651476172.db2.gz RGONYFUZQLNPPV-LBPRGKRZSA-N -1 0 307.394 2.005 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000851705468 652208527 /nfs/dbraw/zinc/20/85/27/652208527.db2.gz MEBMLHVHCKKMPF-VQGWDMPSSA-N -1 0 318.329 2.165 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1F ZINC000852946331 652482581 /nfs/dbraw/zinc/48/25/81/652482581.db2.gz PURDGPNJNAUUFD-INIZCTEOSA-N -1 0 308.353 2.009 20 10 DECDRM C[C@@H](NC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929045445 693885520 /nfs/dbraw/zinc/88/55/20/693885520.db2.gz RSYOWQRQCJXBMA-DOMZBBRYSA-N -1 0 319.405 2.462 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000194740903 685076600 /nfs/dbraw/zinc/07/66/00/685076600.db2.gz BYZPIGSBMKEHIW-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM COC[C@@]1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000862551922 686321907 /nfs/dbraw/zinc/32/19/07/686321907.db2.gz QPYQTLYGNODSSE-CQSZACIVSA-N -1 0 303.761 2.422 20 10 DECDRM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000874042876 689345204 /nfs/dbraw/zinc/34/52/04/689345204.db2.gz LRZLLTYCVJWVNR-AWEZNQCLSA-N -1 0 317.744 2.108 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000874424574 689410012 /nfs/dbraw/zinc/41/00/12/689410012.db2.gz AXXLNEHHCFUSLL-HDJSIYSDSA-N -1 0 319.405 2.147 20 10 DECDRM [O-]c1c(CN2CCN(c3ccccn3)CC2)ccc(F)c1F ZINC000876528514 689847705 /nfs/dbraw/zinc/84/77/05/689847705.db2.gz XYFJNFTWCUYXPA-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM CCOC(=O)c1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])on1 ZINC000883197636 691454864 /nfs/dbraw/zinc/45/48/64/691454864.db2.gz PPGQTIQUYXMNNO-UHFFFAOYSA-N -1 0 312.272 2.125 20 10 DECDRM Cc1cc(CC(=O)NC2(C(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC001350625794 1151376244 /nfs/dbraw/zinc/37/62/44/1151376244.db2.gz DYFJCAYQDARASQ-UHFFFAOYSA-N -1 0 312.369 2.370 20 10 DECDRM O=C([O-])CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC001333186142 1150012390 /nfs/dbraw/zinc/01/23/90/1150012390.db2.gz ZWLPCMSTIFUQAC-HNNXBMFYSA-N -1 0 320.389 2.085 20 10 DECDRM Cn1c2ccccc2sc1=NC(=O)c1cccc(O)c1[O-] ZINC000588612020 777593036 /nfs/dbraw/zinc/59/30/36/777593036.db2.gz MNJPVLXJBPKBCU-UHFFFAOYSA-N -1 0 300.339 2.392 20 10 DECDRM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889314 791639624 /nfs/dbraw/zinc/63/96/24/791639624.db2.gz GHYKATGAKILLGY-LLVKDONJSA-N -1 0 321.327 2.473 20 10 DECDRM CCOC(=O)[C@H](C)NCc1cc(Br)cc(F)c1[O-] ZINC000715747085 792510299 /nfs/dbraw/zinc/51/02/99/792510299.db2.gz WWDGELADOBHASU-ZETCQYMHSA-N -1 0 320.158 2.335 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001139133610 796330555 /nfs/dbraw/zinc/33/05/55/796330555.db2.gz JBGBAWMUWDEWDM-OAHLLOKOSA-N -1 0 315.369 2.418 20 10 DECDRM CCOCc1nnn2c1CN(Cc1cc(F)ccc1O)CCC2 ZINC001140054411 796471110 /nfs/dbraw/zinc/47/11/10/796471110.db2.gz PRQLIMNAEPOKRA-UHFFFAOYSA-N -1 0 320.368 2.065 20 10 DECDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2O)c1 ZINC001189229805 796787655 /nfs/dbraw/zinc/78/76/55/796787655.db2.gz XPAUSZYXMBIWAA-UHFFFAOYSA-N -1 0 307.327 2.101 20 10 DECDRM COc1cncc(CNC(=O)c2cc(O)c([O-])c(Cl)c2)c1 ZINC001193633595 797597763 /nfs/dbraw/zinc/59/77/63/797597763.db2.gz AQZZAYVBNVLEMY-UHFFFAOYSA-N -1 0 308.721 2.085 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccnc1Cl ZINC000085201097 797742677 /nfs/dbraw/zinc/74/26/77/797742677.db2.gz SQDNXUPUNHAQEJ-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM COc1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC001196761538 798099864 /nfs/dbraw/zinc/09/98/64/798099864.db2.gz QFBCNEZOWDPIKI-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)ccc1O ZINC001198231828 798300940 /nfs/dbraw/zinc/30/09/40/798300940.db2.gz UWHGKYKGVQCGHB-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccc(Cl)n1 ZINC001198230935 798301119 /nfs/dbraw/zinc/30/11/19/798301119.db2.gz DCSJMPFRTSBRBU-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM CN(C1COC1)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203579609 800083914 /nfs/dbraw/zinc/08/39/14/800083914.db2.gz BDMFMVVGHQXPKI-UHFFFAOYSA-N -1 0 317.216 2.214 20 10 DECDRM CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H](C)C(=O)[O-] ZINC001589705525 950277452 /nfs/dbraw/zinc/27/74/52/950277452.db2.gz IULHETSYGFPFJJ-SSDOTTSWSA-N -1 0 309.343 2.248 20 10 DECDRM O=C([O-])c1ccnc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001594767602 953537730 /nfs/dbraw/zinc/53/77/30/953537730.db2.gz HUCLWVWABOXYTQ-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594311592 958031161 /nfs/dbraw/zinc/03/11/61/958031161.db2.gz LXOGPEGOELJDGV-CZUORRHYSA-N -1 0 320.433 2.465 20 10 DECDRM C[C@@]1(CO)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001261502259 960735592 /nfs/dbraw/zinc/73/55/92/960735592.db2.gz FFAJDRZWTUTOJY-DQOPKJQZSA-N -1 0 320.345 2.291 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC001262180608 960832109 /nfs/dbraw/zinc/83/21/09/960832109.db2.gz HWXIKLPYVUVAOE-UHFFFAOYSA-N -1 0 315.325 2.492 20 10 DECDRM Cc1cc(CCNC(=O)[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001574326478 960858627 /nfs/dbraw/zinc/85/86/27/960858627.db2.gz RWOFWDHTCAUSGO-ZDUSSCGKSA-N -1 0 314.385 2.474 20 10 DECDRM CC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001335191493 961904605 /nfs/dbraw/zinc/90/46/05/961904605.db2.gz DNXUPCFHCJBVDG-ZETCQYMHSA-N -1 0 320.158 2.494 20 10 DECDRM CC1(C(=O)[O-])C[NH+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715790596 977786073 /nfs/dbraw/zinc/78/60/73/977786073.db2.gz UQXJKFMHZVNZJZ-UHFFFAOYSA-N -1 0 318.142 2.200 20 10 DECDRM O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716162420 977809274 /nfs/dbraw/zinc/80/92/74/977809274.db2.gz XJMRXJAKYWOERS-JMCQJSRRSA-N -1 0 320.172 2.278 20 10 DECDRM CC[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cccc(Cl)c1[O-] ZINC001595298196 980414408 /nfs/dbraw/zinc/41/44/08/980414408.db2.gz CCDDQQNHECQMLP-NSHDSACASA-N -1 0 324.768 2.076 20 10 DECDRM C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1O ZINC001599893718 984726780 /nfs/dbraw/zinc/72/67/80/984726780.db2.gz ARSQDTZAGCLNQM-BBKSZCTCSA-N -1 0 304.346 2.006 20 10 DECDRM CCOC(=O)[C@@H]1C[C@H]1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001596685201 984780344 /nfs/dbraw/zinc/78/03/44/984780344.db2.gz AANMFYUDVCLREB-CMPLNLGQSA-N -1 0 307.346 2.029 20 10 DECDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC001589458530 986903414 /nfs/dbraw/zinc/90/34/14/986903414.db2.gz PDMJEJOPKQZLCE-SJKOYZFVSA-N -1 0 312.369 2.390 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC001599868269 989306988 /nfs/dbraw/zinc/30/69/88/989306988.db2.gz USQHTHRRKCMLEV-JYBZGJHDSA-N -1 0 318.329 2.354 20 10 DECDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C=C/c1cccnc1 ZINC001599644950 994412521 /nfs/dbraw/zinc/41/25/21/994412521.db2.gz FJNAWMHQKCUKTM-CMDGGOBGSA-N -1 0 312.325 2.465 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC001602309625 1069598833 /nfs/dbraw/zinc/59/88/33/1069598833.db2.gz XRRXSKCUQNLRCB-NSHDSACASA-N -1 0 305.309 2.051 20 10 DECDRM O=C([O-])c1cccc(C(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC001602432022 1069637086 /nfs/dbraw/zinc/63/70/86/1069637086.db2.gz VLPPIXSLJLKRNU-UHFFFAOYSA-N -1 0 306.295 2.192 20 10 DECDRM O=C([O-])c1ccnc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001602482166 1069653976 /nfs/dbraw/zinc/65/39/76/1069653976.db2.gz OWSQPRACPMQYRA-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM Cc1ccc(O)c(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001607811245 1071566987 /nfs/dbraw/zinc/56/69/87/1071566987.db2.gz ODAJGMRGBYTTNK-QPJJXVBHSA-N -1 0 301.298 2.321 20 10 DECDRM O=C([O-])c1cncnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001610865072 1078088520 /nfs/dbraw/zinc/08/85/20/1078088520.db2.gz CFQCSNIIVGHRCJ-UHFFFAOYSA-N -1 0 321.340 2.345 20 10 DECDRM Cc1cc(NC(=O)N(C)Cc2ccccc2O)c(C(=O)[O-])[nH]1 ZINC001600260445 1077170708 /nfs/dbraw/zinc/17/07/08/1077170708.db2.gz KRQURAOFBSQTPR-UHFFFAOYSA-N -1 0 303.318 2.391 20 10 DECDRM Cc1cc(NC(=O)N(C)Cc2ccccc2O)ncc1C(=O)[O-] ZINC001600260673 1077170902 /nfs/dbraw/zinc/17/09/02/1077170902.db2.gz MEZBZMGMDDNDAA-UHFFFAOYSA-N -1 0 315.329 2.458 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(O)c1O ZINC001600335571 1077182722 /nfs/dbraw/zinc/18/27/22/1077182722.db2.gz QWQUFQIEHNNROI-SNVBAGLBSA-N -1 0 307.327 2.023 20 10 DECDRM Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(O)c1O ZINC001600339153 1077183247 /nfs/dbraw/zinc/18/32/47/1077183247.db2.gz QSEDGEMRJZDASW-CYBMUJFWSA-N -1 0 315.325 2.004 20 10 DECDRM Cc1ccc(C(=O)OCc2ccccc2C(=O)[O-])c(O)c1O ZINC001600364781 1077187261 /nfs/dbraw/zinc/18/72/61/1077187261.db2.gz DGLIVBZHDVDOHE-UHFFFAOYSA-N -1 0 302.282 2.461 20 10 DECDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(N)cc2)cc1 ZINC001600370644 1077188235 /nfs/dbraw/zinc/18/82/35/1077188235.db2.gz DKHLAHGCSPKDFQ-INIZCTEOSA-N -1 0 312.369 2.452 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001601155502 1077349200 /nfs/dbraw/zinc/34/92/00/1077349200.db2.gz JKAAFOWITVMZDA-UHFFFAOYSA-N -1 0 313.273 2.195 20 10 DECDRM O=C([O-])c1ccccc1CCC(=O)NCc1c(O)cccc1O ZINC001608318494 1077626830 /nfs/dbraw/zinc/62/68/30/1077626830.db2.gz SSSFJOMAEKCSTM-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])c1ccc(NC(=O)NCc2cccc(Cl)c2O)nc1 ZINC001608469962 1077644571 /nfs/dbraw/zinc/64/45/71/1077644571.db2.gz DRNQLEOCNKILPB-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OCC(=O)[O-] ZINC001610457217 1078023054 /nfs/dbraw/zinc/02/30/54/1078023054.db2.gz CYEZQTCLGLDZGB-BJMVGYQFSA-N -1 0 323.395 2.256 20 10 DECDRM O=S(=O)(NCc1cccc(Cl)c1O)c1ccccc1[O-] ZINC001657351153 1080171184 /nfs/dbraw/zinc/17/11/84/1080171184.db2.gz CKTJPORKTWAVKP-UHFFFAOYSA-N -1 0 313.762 2.230 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC2(COC2)C1 ZINC001235057849 1084290834 /nfs/dbraw/zinc/29/08/34/1084290834.db2.gz VICAOPAPVWNKSM-UHFFFAOYSA-N -1 0 302.143 2.126 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001235303717 1084379680 /nfs/dbraw/zinc/37/96/80/1084379680.db2.gz QLIQKFJHSXJHIQ-AOOOYVTPSA-N -1 0 302.143 2.267 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237618064 1138716671 /nfs/dbraw/zinc/71/66/71/1138716671.db2.gz XAHNLYBDSWBQST-QCZZGDTMSA-N -1 0 315.772 2.156 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001237618060 1138717385 /nfs/dbraw/zinc/71/73/85/1138717385.db2.gz XAHNLYBDSWBQST-FZZIBODNSA-N -1 0 315.772 2.156 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001237798810 1138790700 /nfs/dbraw/zinc/79/07/00/1138790700.db2.gz COIZLNYYCBIPIU-HERUPUMHSA-N -1 0 315.772 2.156 20 10 DECDRM CC(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])C[C@H]1C ZINC001237806290 1138796815 /nfs/dbraw/zinc/79/68/15/1138796815.db2.gz SVONXUIYYRISSN-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM Oc1cc(Cl)c(F)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC001237933417 1138811156 /nfs/dbraw/zinc/81/11/56/1138811156.db2.gz BNDKIPTXDLCPMY-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM O=C([O-])c1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001241801897 1139854304 /nfs/dbraw/zinc/85/43/04/1139854304.db2.gz CYYKOFFOXJRGSI-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@]1(F)CCOC1 ZINC001323278733 1141836417 /nfs/dbraw/zinc/83/64/17/1141836417.db2.gz POVATFKHVZDNKQ-GFCCVEGCSA-N -1 0 308.136 2.444 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311959 1144087857 /nfs/dbraw/zinc/08/78/57/1144087857.db2.gz YTYCGYWIQPRQTA-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)cc1C ZINC001260638255 1144192691 /nfs/dbraw/zinc/19/26/91/1144192691.db2.gz YQHFUSLALVJADJ-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006859133 181398250 /nfs/dbraw/zinc/39/82/50/181398250.db2.gz QUPGMOVJFFBDEK-UHFFFAOYSA-N -1 0 308.315 2.410 20 10 DECDRM C[C@@H]1CCS(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000192058964 402708627 /nfs/dbraw/zinc/70/86/27/402708627.db2.gz UYUFXMBDWBMZMI-SNVBAGLBSA-N -1 0 303.811 2.055 20 10 DECDRM COc1c(O)c(C[NH2+]Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278854901 402878526 /nfs/dbraw/zinc/87/85/26/402878526.db2.gz LJPDOZBCBFAREE-UHFFFAOYSA-N -1 0 307.306 2.204 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)ccc1O ZINC000182478259 525290203 /nfs/dbraw/zinc/29/02/03/525290203.db2.gz BUDIHIDBWFXHLS-UHFFFAOYSA-N -1 0 309.391 2.354 20 10 DECDRM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000820949219 597713646 /nfs/dbraw/zinc/71/36/46/597713646.db2.gz GFRKVWROBSAIGI-VIFPVBQESA-N -1 0 314.179 2.370 20 10 DECDRM O=C([O-])CCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000821521907 598166042 /nfs/dbraw/zinc/16/60/42/598166042.db2.gz QJDVUTXKFJUPHY-UHFFFAOYSA-N -1 0 302.168 2.499 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000737089375 599975540 /nfs/dbraw/zinc/97/55/40/599975540.db2.gz TXZOWFZHYMRVRB-VXGBXAGGSA-N -1 0 308.353 2.009 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000736471679 600068262 /nfs/dbraw/zinc/06/82/62/600068262.db2.gz LPPMAJARMXHEQD-HUUCEWRRSA-N -1 0 304.390 2.210 20 10 DECDRM Cc1ccc([C@H](CNC(=O)C2=CC(=O)CS2)C(=O)[O-])cc1 ZINC000738566346 600364564 /nfs/dbraw/zinc/36/45/64/600364564.db2.gz DPBHPSPHHYWZSS-LBPRGKRZSA-N -1 0 305.355 2.360 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000737204489 600622938 /nfs/dbraw/zinc/62/29/38/600622938.db2.gz SPCKZUIYORAWML-HNNXBMFYSA-N -1 0 322.405 2.137 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832889949 602070925 /nfs/dbraw/zinc/07/09/25/602070925.db2.gz WUSBGEIHAUACEA-KRWDZBQOSA-N -1 0 319.405 2.067 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000738042402 602573743 /nfs/dbraw/zinc/57/37/43/602573743.db2.gz VAVHWPDODXMZAV-GXFFZTMASA-N -1 0 324.377 2.260 20 10 DECDRM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)[O-])c1O ZINC000823626688 603752167 /nfs/dbraw/zinc/75/21/67/603752167.db2.gz ASAFYQLXIGXNLM-CYBMUJFWSA-N -1 0 324.352 2.356 20 10 DECDRM Cc1cc(C(=O)OC[C@@H](C)NC(=O)[O-])c(C)n1-c1ccccn1 ZINC000829976693 604200610 /nfs/dbraw/zinc/20/06/10/604200610.db2.gz PHJQHLVRQURWFA-SNVBAGLBSA-N -1 0 317.345 2.302 20 10 DECDRM C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(=O)[O-] ZINC000833630103 604669291 /nfs/dbraw/zinc/66/92/91/604669291.db2.gz PZUGXOWSQKQDGA-GMSGAONNSA-N -1 0 314.725 2.106 20 10 DECDRM O=C([O-])c1occc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000833094122 604765748 /nfs/dbraw/zinc/76/57/48/604765748.db2.gz FTEXPJKWVZJKAB-RQOWECAXSA-N -1 0 304.254 2.146 20 10 DECDRM C[C@H](O)[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833526259 604875020 /nfs/dbraw/zinc/87/50/20/604875020.db2.gz HKZHQTKUNKRMCV-PDCNKGEESA-N -1 0 320.345 2.290 20 10 DECDRM C[C@]1(O)CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833570794 605162113 /nfs/dbraw/zinc/16/21/13/605162113.db2.gz DTYDRMYSTYLROS-DRDHIDPGSA-N -1 0 306.318 2.044 20 10 DECDRM CCc1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000757655087 639864427 /nfs/dbraw/zinc/86/44/27/639864427.db2.gz IZDGIRHUGKPHPA-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F ZINC000163397458 640307963 /nfs/dbraw/zinc/30/79/63/640307963.db2.gz BESBRMBCEJRCSY-UHFFFAOYSA-N -1 0 307.306 2.471 20 10 DECDRM CC[C@@H]1C(=O)NCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000898548108 641701444 /nfs/dbraw/zinc/70/14/44/641701444.db2.gz QJGKSRBWLGJNCC-GFCCVEGCSA-N -1 0 300.761 2.285 20 10 DECDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000775286164 642024480 /nfs/dbraw/zinc/02/44/80/642024480.db2.gz FJOPSGCWGRPPCI-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM CCOC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775639328 642070451 /nfs/dbraw/zinc/07/04/51/642070451.db2.gz UAVGQDRJIRQYGW-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM CC(C)N(CCS(C)(=O)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775726595 642085047 /nfs/dbraw/zinc/08/50/47/642085047.db2.gz VSNCGWBNPNGGHV-UHFFFAOYSA-N -1 0 323.817 2.440 20 10 DECDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000776748629 642204434 /nfs/dbraw/zinc/20/44/34/642204434.db2.gz UTCWDRPUPSXPIL-UHFFFAOYSA-N -1 0 323.418 2.360 20 10 DECDRM CC(C)CN(CC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1 ZINC000780351214 642615260 /nfs/dbraw/zinc/61/52/60/642615260.db2.gz VDCQWEAIXOTPEK-UHFFFAOYSA-N -1 0 307.394 2.005 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1ncc(C(=O)[O-])cn1 ZINC000910339457 645414165 /nfs/dbraw/zinc/41/41/65/645414165.db2.gz DJHPOJGCJTXNPL-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM O=C([O-])C12CCC(C(=O)NCc3ccccc3O)(CC1)CC2 ZINC000911332220 645677303 /nfs/dbraw/zinc/67/73/03/645677303.db2.gz YPFROJBAHUYUAN-UHFFFAOYSA-N -1 0 303.358 2.434 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000911351819 645682263 /nfs/dbraw/zinc/68/22/63/645682263.db2.gz GYCOFFIZKMTVSW-LBPRGKRZSA-N -1 0 310.369 2.399 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnns1 ZINC000807837787 645995534 /nfs/dbraw/zinc/99/55/34/645995534.db2.gz DBIRAQOBVFLVMG-UHFFFAOYSA-N -1 0 304.158 2.481 20 10 DECDRM Cc1cc(C(=O)N(C)c2nnn[n-]2)c(C)n1-c1cccc(C)c1 ZINC000912618039 646113444 /nfs/dbraw/zinc/11/34/44/646113444.db2.gz KSZRVTNFRTTZJT-UHFFFAOYSA-N -1 0 310.361 2.192 20 10 DECDRM COC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000813683478 646799666 /nfs/dbraw/zinc/79/96/66/646799666.db2.gz QLSMXLVDDRTQHF-UHFFFAOYSA-N -1 0 318.156 2.268 20 10 DECDRM CC(C)[C@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816502637 647143913 /nfs/dbraw/zinc/14/39/13/647143913.db2.gz JZLZJZQUZRFBIU-ZDUSSCGKSA-N -1 0 300.761 2.141 20 10 DECDRM CC(C)C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818623919 647490840 /nfs/dbraw/zinc/49/08/40/647490840.db2.gz WAVPKOGYVCEIDG-CQSZACIVSA-N -1 0 321.421 2.299 20 10 DECDRM CO[C@@]1(CO)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826951689 648951874 /nfs/dbraw/zinc/95/18/74/648951874.db2.gz BIPIBXCYTOCIFJ-AWEZNQCLSA-N -1 0 303.761 2.158 20 10 DECDRM C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000831003821 649527629 /nfs/dbraw/zinc/52/76/29/649527629.db2.gz CDUJXGRRRUWQSO-SWLSCSKDSA-N -1 0 319.405 2.005 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000831003867 649528024 /nfs/dbraw/zinc/52/80/24/649528024.db2.gz IKKDSDNZUCOJMA-UHFFFAOYSA-N -1 0 319.405 2.149 20 10 DECDRM COc1ccc(N2CC[C@@H](CNc3nc(C(=O)[O-])co3)C2)cc1 ZINC000844213097 651094056 /nfs/dbraw/zinc/09/40/56/651094056.db2.gz SNIRWCZXCJBAPX-NSHDSACASA-N -1 0 317.345 2.320 20 10 DECDRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844252785 651100117 /nfs/dbraw/zinc/10/01/17/651100117.db2.gz YZJRULYUEOFOTQ-HNNXBMFYSA-N -1 0 304.390 2.260 20 10 DECDRM C[C@H](NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043589 693884912 /nfs/dbraw/zinc/88/49/12/693884912.db2.gz JHMONNMNFLCFLW-JKOKRWQUSA-N -1 0 323.368 2.020 20 10 DECDRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000872857403 689107460 /nfs/dbraw/zinc/10/74/60/689107460.db2.gz DLRSYUNNNPICOW-CQDKDKBSSA-N -1 0 304.390 2.431 20 10 DECDRM CC(C)OC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877404263 690103586 /nfs/dbraw/zinc/10/35/86/690103586.db2.gz ZWVWRUYLURMRPV-LBPRGKRZSA-N -1 0 301.333 2.296 20 10 DECDRM O=C([N-]CC1C[NH+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000877777072 690224312 /nfs/dbraw/zinc/22/43/12/690224312.db2.gz NMJBFAMLPSKWCO-UHFFFAOYSA-N -1 0 322.714 2.156 20 10 DECDRM O=C1N[C@H](c2ccc(F)c(F)c2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877857495 690249375 /nfs/dbraw/zinc/24/93/75/690249375.db2.gz SILNPVSQZRNLCT-HOCLYGCPSA-N -1 0 316.307 2.398 20 10 DECDRM COCC1(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CC1 ZINC000882724079 691348721 /nfs/dbraw/zinc/34/87/21/691348721.db2.gz ZCJGKLGYRVGRJA-UHFFFAOYSA-N -1 0 309.746 2.105 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001213096828 777645563 /nfs/dbraw/zinc/64/55/63/777645563.db2.gz WDCVVTJWJJEMDB-UHFFFAOYSA-N -1 0 308.359 2.092 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185686677 796304889 /nfs/dbraw/zinc/30/48/89/796304889.db2.gz CDGOPFJASBNNJH-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2O)ccc1F ZINC001200353540 798618824 /nfs/dbraw/zinc/61/88/24/798618824.db2.gz CIACEVSTDFGCDW-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM COc1cc(S(=O)(=O)[N-]c2cccc(O)c2O)ccc1F ZINC001200492234 798640260 /nfs/dbraw/zinc/64/02/60/798640260.db2.gz WQDYBIQWYCCKBZ-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM Cc1cc(NC(=O)c2c([O-])c(O)ccc2F)cn2ccnc12 ZINC001161407268 798848318 /nfs/dbraw/zinc/84/83/18/798848318.db2.gz SPGZOCBWMAKZTF-UHFFFAOYSA-N -1 0 301.277 2.445 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(=O)[O-])cc1F ZINC001203292157 800032447 /nfs/dbraw/zinc/03/24/47/800032447.db2.gz GVWCHSUHABATOR-UHFFFAOYSA-N -1 0 324.333 2.204 20 10 DECDRM CC(=O)N(C)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580610 800084124 /nfs/dbraw/zinc/08/41/24/800084124.db2.gz UBXWBFUEZMJMBM-UHFFFAOYSA-N -1 0 303.189 2.362 20 10 DECDRM CCN1CC(Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937161 803297139 /nfs/dbraw/zinc/29/71/39/803297139.db2.gz DDBQCLZFDSHXIM-UHFFFAOYSA-N -1 0 313.353 2.412 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1F ZINC001589728611 950478797 /nfs/dbraw/zinc/47/87/97/950478797.db2.gz JVQLLJFWRNKYQO-QWHCGFSZSA-N -1 0 322.380 2.399 20 10 DECDRM COC(=O)c1c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])sc2c1CCC2 ZINC000397292109 951543876 /nfs/dbraw/zinc/54/38/76/951543876.db2.gz IQHJRLCHOKFCMU-HTQZYQBOSA-N -1 0 323.370 2.073 20 10 DECDRM C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC001589328770 953935611 /nfs/dbraw/zinc/93/56/11/953935611.db2.gz JBHSSGYJZUJMEC-CABZTGNLSA-N -1 0 318.333 2.174 20 10 DECDRM C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C(=O)[O-] ZINC001589393184 954347507 /nfs/dbraw/zinc/34/75/07/954347507.db2.gz VUJNXUQXGADPAJ-SKDRFNHKSA-N -1 0 318.333 2.032 20 10 DECDRM O=C([O-])/C=C\c1cc(C(=O)NCc2c(O)cccc2F)co1 ZINC001594968434 955079528 /nfs/dbraw/zinc/07/95/28/955079528.db2.gz OFPPQGKRLFHQJY-PLNGDYQASA-N -1 0 305.261 2.152 20 10 DECDRM CN(CCCC(=O)[O-])C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001574007634 961905592 /nfs/dbraw/zinc/90/55/92/961905592.db2.gz JKFVTIPRFWCXJS-UHFFFAOYSA-N -1 0 309.343 2.249 20 10 DECDRM CC(C)(CCNC(=O)NCc1cccc(Cl)c1O)C(=O)[O-] ZINC001353015596 962648604 /nfs/dbraw/zinc/64/86/04/962648604.db2.gz LHISPABIJQBILF-UHFFFAOYSA-N -1 0 314.769 2.346 20 10 DECDRM Cn1cc(/C=C\C(=O)N2CCCc3c(C(=O)[O-])cccc32)cn1 ZINC000320002169 970601039 /nfs/dbraw/zinc/60/10/39/970601039.db2.gz MCWKIHBBLAEPCD-FPLPWBNLSA-N -1 0 311.341 2.111 20 10 DECDRM CC(C)(C)N1CC[C@H](Sc2ncc(C(=O)[O-])s2)C1=O ZINC001589815559 988253825 /nfs/dbraw/zinc/25/38/25/988253825.db2.gz PFBBLXGFIWBZNR-ZETCQYMHSA-N -1 0 300.405 2.333 20 10 DECDRM CCc1nnc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)s1 ZINC001597728446 989027039 /nfs/dbraw/zinc/02/70/39/989027039.db2.gz GNXPEZGWAGMLDI-QMMMGPOBSA-N -1 0 307.375 2.355 20 10 DECDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001599878476 989451535 /nfs/dbraw/zinc/45/15/35/989451535.db2.gz QIYFWLKMOIAZEX-MWLCHTKSSA-N -1 0 318.333 2.174 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598530574 992774874 /nfs/dbraw/zinc/77/48/74/992774874.db2.gz LZMPRHYTLABKRY-UHFFFAOYSA-N -1 0 320.370 2.494 20 10 DECDRM COCc1cnc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001599297740 997176172 /nfs/dbraw/zinc/17/61/72/997176172.db2.gz SPTMVPRKQDKMPD-UHFFFAOYSA-N -1 0 322.386 2.389 20 10 DECDRM COc1c([O-])c(C[NH2+][C@H]2CC[C@@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001599345859 998004591 /nfs/dbraw/zinc/00/45/91/998004591.db2.gz PUGJZTNZVACPIT-KOLCDFICSA-N -1 0 324.333 2.042 20 10 DECDRM C/C(=C/C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cnccn1 ZINC001602951347 1069799414 /nfs/dbraw/zinc/79/94/14/1069799414.db2.gz MPYLYSLEKHBGOP-XFFZJAGNSA-N -1 0 315.304 2.137 20 10 DECDRM C/C(=C/c1cccnc1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001602985963 1069825200 /nfs/dbraw/zinc/82/52/00/1069825200.db2.gz RYYLIABITZUHON-XFXZXTDPSA-N -1 0 311.341 2.306 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001606160514 1071057031 /nfs/dbraw/zinc/05/70/31/1071057031.db2.gz MTKUQRDUPZICQN-UHFFFAOYSA-N -1 0 319.405 2.147 20 10 DECDRM C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1O ZINC001607422897 1071439189 /nfs/dbraw/zinc/43/91/89/1071439189.db2.gz IPMDEEHLDNJVMC-LLVKDONJSA-N -1 0 315.325 2.347 20 10 DECDRM CC(=O)c1cc(F)c([O-])c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001456044072 1057809803 /nfs/dbraw/zinc/80/98/03/1057809803.db2.gz YDAKVENUSKLOMY-UHFFFAOYSA-N -1 0 319.288 2.326 20 10 DECDRM O=C1CN(Cc2ccc(F)c(F)c2[O-])CN1Cc1ccccc1 ZINC001474355258 1060854303 /nfs/dbraw/zinc/85/43/03/1060854303.db2.gz GZORXQTUFDTLDH-UHFFFAOYSA-N -1 0 318.323 2.472 20 10 DECDRM NC(=O)[C@H](NCc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001474419643 1060865685 /nfs/dbraw/zinc/86/56/85/1060865685.db2.gz ONHMSQRJFYUJIX-CYBMUJFWSA-N -1 0 310.275 2.126 20 10 DECDRM O=C([O-])c1ccc(C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001610822521 1078081710 /nfs/dbraw/zinc/08/17/10/1078081710.db2.gz NKMLHEBZMVBERV-UHFFFAOYSA-N -1 0 307.649 2.420 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1n[n-]c2ccccc2c1=O ZINC001635361196 1078448590 /nfs/dbraw/zinc/44/85/90/1078448590.db2.gz ZMIREEJPEBRYHZ-UHFFFAOYSA-N -1 0 313.288 2.110 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c(C)n1-c1ccccn1 ZINC001600087226 1077134764 /nfs/dbraw/zinc/13/47/64/1077134764.db2.gz BKPCYZXDNCVMNR-AEZGRPFRSA-N -1 0 313.357 2.248 20 10 DECDRM Cc1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)oc1C(=O)[O-] ZINC001600214325 1077163516 /nfs/dbraw/zinc/16/35/16/1077163516.db2.gz OPDUJDWDDXGRPH-HYXAFXHYSA-N -1 0 318.281 2.454 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001600464697 1077206176 /nfs/dbraw/zinc/20/61/76/1077206176.db2.gz IXTGZLOYZUNDSN-LBPRGKRZSA-N -1 0 306.362 2.001 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1cccc(O[C@H](C)C(N)=O)c1 ZINC001600832402 1077283887 /nfs/dbraw/zinc/28/38/87/1077283887.db2.gz OMXMNNJCYIXSHB-SNVBAGLBSA-N -1 0 319.313 2.118 20 10 DECDRM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)C1=CC(=O)CS1 ZINC001601872619 1077467170 /nfs/dbraw/zinc/46/71/70/1077467170.db2.gz PYHODMCSRNKNNH-ZDUSSCGKSA-N -1 0 319.338 2.114 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1ccncc1 ZINC001602057189 1077501749 /nfs/dbraw/zinc/50/17/49/1077501749.db2.gz MZWYFHQZVNLCHW-UHFFFAOYSA-N -1 0 320.732 2.168 20 10 DECDRM O=C([O-])[C@@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1c1ccccc1 ZINC001608564920 1077656695 /nfs/dbraw/zinc/65/66/95/1077656695.db2.gz GUVDTWUXLNZFMB-BEFAXECRSA-N -1 0 323.348 2.493 20 10 DECDRM O=C([O-])CC1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001608692183 1077678989 /nfs/dbraw/zinc/67/89/89/1077678989.db2.gz QZKAQZWQUXGHSB-UHFFFAOYSA-N -1 0 321.354 2.296 20 10 DECDRM O=C([O-])c1ccc(O)c([C@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC001608905737 1077718652 /nfs/dbraw/zinc/71/86/52/1077718652.db2.gz OXUDMXUJNHWEDG-HNNXBMFYSA-N -1 0 324.336 2.258 20 10 DECDRM CN(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001610104069 1077980830 /nfs/dbraw/zinc/98/08/30/1077980830.db2.gz PATWUJMWWBHHRM-UHFFFAOYSA-N -1 0 314.341 2.468 20 10 DECDRM CN(C)c1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001610105067 1077981021 /nfs/dbraw/zinc/98/10/21/1077981021.db2.gz JJLCKYRYIRQAHH-UHFFFAOYSA-N -1 0 303.362 2.464 20 10 DECDRM CN(C[C@@H](O)c1cccc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610110543 1077981329 /nfs/dbraw/zinc/98/13/29/1077981329.db2.gz KWAZVHWUNPAYSY-MRXNPFEDSA-N -1 0 319.332 2.459 20 10 DECDRM Cc1cc[nH]c1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001610480013 1078027300 /nfs/dbraw/zinc/02/73/00/1078027300.db2.gz WYRFFMNGHPQDLT-UHFFFAOYSA-N -1 0 322.748 2.409 20 10 DECDRM Cc1nc(CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC001610554717 1078040724 /nfs/dbraw/zinc/04/07/24/1078040724.db2.gz QDJQPXIVHKXDLZ-XQRVVYSFSA-N -1 0 318.289 2.020 20 10 DECDRM [O-]c1c(Br)cc(Cl)cc1CN1CC(F)(CO)C1 ZINC001141367776 1083386503 /nfs/dbraw/zinc/38/65/03/1083386503.db2.gz PRQWRGPKCZFCIZ-UHFFFAOYSA-N -1 0 324.577 2.324 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001235057389 1084291308 /nfs/dbraw/zinc/29/13/08/1084291308.db2.gz MSFANTBXHYXVTG-ONGXEEELSA-N -1 0 322.149 2.199 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(F)c2[O-])CC2(CCCC2)N1 ZINC001237624546 1138721420 /nfs/dbraw/zinc/72/14/20/1138721420.db2.gz WAVRLRCPUJCTEZ-UHFFFAOYSA-N -1 0 312.772 2.429 20 10 DECDRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1F ZINC001319692445 1140667150 /nfs/dbraw/zinc/66/71/50/1140667150.db2.gz VXTXICMUDONMSW-LCYFTJDESA-N -1 0 312.300 2.296 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C/c2ccc3c(c2)CCC3)SC1=S ZINC001339590052 1143060268 /nfs/dbraw/zinc/06/02/68/1143060268.db2.gz NXLULFSORYFQIR-GHXNOFRVSA-N -1 0 319.407 2.461 20 10 DECDRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260442912 1144187732 /nfs/dbraw/zinc/18/77/32/1144187732.db2.gz REPCNYMUYWZIFR-UHFFFAOYSA-N -1 0 319.342 2.292 20 10 DECDRM Cc1ncccc1/C=C/c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000675724498 541376341 /nfs/dbraw/zinc/37/63/41/541376341.db2.gz KOAGGNSUSDMPCV-CMDGGOBGSA-N -1 0 321.336 2.355 20 10 DECDRM O=C([O-])Cn1c(/C=C\c2cncs2)nc2ccccc2c1=O ZINC000676028713 541405783 /nfs/dbraw/zinc/40/57/83/541405783.db2.gz PQBNTWXQADDMJS-WAYWQWQTSA-N -1 0 313.338 2.108 20 10 DECDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000285149402 131143156 /nfs/dbraw/zinc/14/31/56/131143156.db2.gz PEQDFLQKOQEHKR-UHFFFAOYSA-N -1 0 309.391 2.160 20 10 DECDRM CS(=O)(=O)CCN(Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000293785510 403563900 /nfs/dbraw/zinc/56/39/00/403563900.db2.gz BGLWKZXMUNEKPM-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000180351177 525102838 /nfs/dbraw/zinc/10/28/38/525102838.db2.gz VZFAIWBQNCQUIV-UWVGGRQHSA-N -1 0 303.811 2.053 20 10 DECDRM CC(C)c1nnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000296636656 528445469 /nfs/dbraw/zinc/44/54/69/528445469.db2.gz XTWCTDRFFAYETJ-SECBINFHSA-N -1 0 305.338 2.393 20 10 DECDRM O=C([O-])Cc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000819579651 597138196 /nfs/dbraw/zinc/13/81/96/597138196.db2.gz LCVWVLVYXCEMKH-UHFFFAOYSA-N -1 0 301.298 2.360 20 10 DECDRM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739548043 600116339 /nfs/dbraw/zinc/11/63/39/600116339.db2.gz PDUKGXZPAASAQD-CABCVRRESA-N -1 0 302.374 2.014 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCCCSc2nccs2)nc1 ZINC000740109953 600418875 /nfs/dbraw/zinc/41/88/75/600418875.db2.gz PZTHHHSLRYJYIY-UHFFFAOYSA-N -1 0 323.399 2.149 20 10 DECDRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000833182487 601271738 /nfs/dbraw/zinc/27/17/38/601271738.db2.gz YFNIJUNFWXGCIB-QWRGUYRKSA-N -1 0 322.324 2.056 20 10 DECDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N(C)Cc1ccccc1O ZINC000824189427 603656558 /nfs/dbraw/zinc/65/65/58/603656558.db2.gz JAXUWOKJZYUIKM-CYBMUJFWSA-N -1 0 323.393 2.216 20 10 DECDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000832516679 603863078 /nfs/dbraw/zinc/86/30/78/603863078.db2.gz YAJBNGDBIWDPIS-WCQYABFASA-N -1 0 321.377 2.018 20 10 DECDRM C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(=O)[O-] ZINC000833630206 604669009 /nfs/dbraw/zinc/66/90/09/604669009.db2.gz PZUGXOWSQKQDGA-XVKPBYJWSA-N -1 0 314.725 2.106 20 10 DECDRM CC(=O)c1cc(F)cc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000933399189 624202491 /nfs/dbraw/zinc/20/24/91/624202491.db2.gz RNAOHIJZFABWKR-UHFFFAOYSA-N -1 0 304.321 2.467 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186423011 634413117 /nfs/dbraw/zinc/41/31/17/634413117.db2.gz KDZOYKJGSJDQAO-MRVPVSSYSA-N -1 0 323.295 2.443 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000314225828 625778665 /nfs/dbraw/zinc/77/86/65/625778665.db2.gz BOSCWNTVFYWCEI-DPIUTZRQSA-N -1 0 306.318 2.306 20 10 DECDRM CC1(CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894980098 637356130 /nfs/dbraw/zinc/35/61/30/637356130.db2.gz JRWHJPOINHNASS-UHFFFAOYSA-N -1 0 304.159 2.108 20 10 DECDRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCC1)c1ccc(N(C)C)cc1 ZINC000929044399 640517748 /nfs/dbraw/zinc/51/77/48/640517748.db2.gz MPLPZNVQEFXTQP-LBPRGKRZSA-N -1 0 319.405 2.462 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])CCS1(=O)=O ZINC000763625424 640556523 /nfs/dbraw/zinc/55/65/23/640556523.db2.gz IWCHXBFAANGTKH-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769490468 641249422 /nfs/dbraw/zinc/24/94/22/641249422.db2.gz KMBVCNZABASLMZ-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM COC1(CO)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775203047 642016044 /nfs/dbraw/zinc/01/60/44/642016044.db2.gz AKGVWBFHNVQAAU-UHFFFAOYSA-N -1 0 303.761 2.158 20 10 DECDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000775286678 642024457 /nfs/dbraw/zinc/02/44/57/642024457.db2.gz LPLOCJFFCFZDNY-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM CC(C)[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775676167 642077564 /nfs/dbraw/zinc/07/75/64/642077564.db2.gz NJFOBSZMTFYNSF-LBPRGKRZSA-N -1 0 300.761 2.141 20 10 DECDRM CN(C)c1ccc(CNC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000780350737 642615232 /nfs/dbraw/zinc/61/52/32/642615232.db2.gz SQJLTWDEFIHDTP-UHFFFAOYSA-N -1 0 319.405 2.339 20 10 DECDRM CN(Cc1nccn1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000780892253 642685339 /nfs/dbraw/zinc/68/53/39/642685339.db2.gz IOKYACWQKNDFDQ-UHFFFAOYSA-N -1 0 310.741 2.319 20 10 DECDRM O=C1OCC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN12 ZINC000792173441 644084020 /nfs/dbraw/zinc/08/40/20/644084020.db2.gz WJTMNKJZXQSCOE-SECBINFHSA-N -1 0 314.744 2.211 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C2(C(=O)[O-])CCCC2)c1 ZINC000911343613 645686042 /nfs/dbraw/zinc/68/60/42/645686042.db2.gz NDIHNNJOQWKEDM-SNVBAGLBSA-N -1 0 307.346 2.223 20 10 DECDRM Cc1coc(C)c1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911489630 645721698 /nfs/dbraw/zinc/72/16/98/645721698.db2.gz UQNHZBLGBTYKHG-UHFFFAOYSA-N -1 0 303.314 2.329 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCCCS1 ZINC000911490059 645722674 /nfs/dbraw/zinc/72/26/74/645722674.db2.gz WQFYBWGQIRSXDT-CYBMUJFWSA-N -1 0 309.387 2.091 20 10 DECDRM CO[C@H]1CCCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911490097 645722847 /nfs/dbraw/zinc/72/28/47/645722847.db2.gz XTMCTQWGFTYVOS-ZFWWWQNUSA-N -1 0 321.373 2.011 20 10 DECDRM COCCCOCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837360 645995382 /nfs/dbraw/zinc/99/53/82/645995382.db2.gz MUNLLZBXPJUGDC-UHFFFAOYSA-N -1 0 322.188 2.368 20 10 DECDRM Cn1cnc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807837670 645995711 /nfs/dbraw/zinc/99/57/11/645995711.db2.gz ZWCJQQUMMNYBGG-UHFFFAOYSA-N -1 0 300.145 2.363 20 10 DECDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817874261 647370106 /nfs/dbraw/zinc/37/01/06/647370106.db2.gz OJBDHJSQWLDZSW-OCCSQVGLSA-N -1 0 319.405 2.005 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](O)C(F)(F)C2)c1[O-] ZINC000826958551 648953027 /nfs/dbraw/zinc/95/30/27/648953027.db2.gz RLSHSVSGLXCJHA-JTQLQIEISA-N -1 0 322.695 2.156 20 10 DECDRM C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000827946268 649109532 /nfs/dbraw/zinc/10/95/32/649109532.db2.gz CAUNTSOMASFZOO-MRVPVSSYSA-N -1 0 318.295 2.027 20 10 DECDRM O=C([O-])/C=C\c1ccc(N(CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000844212598 651093752 /nfs/dbraw/zinc/09/37/52/651093752.db2.gz JUAMSAIYBWKTEU-ALCCZGGFSA-N -1 0 306.318 2.044 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)C3(C(=O)[O-])CC3)cc2)CC1 ZINC000844252226 651100129 /nfs/dbraw/zinc/10/01/29/651100129.db2.gz BKHZUCPLUNROCC-UHFFFAOYSA-N -1 0 316.401 2.404 20 10 DECDRM COc1ccc(N(C)Cc2ccc(C(=O)[O-])cn2)c(OC)c1 ZINC000846251525 651318306 /nfs/dbraw/zinc/31/83/06/651318306.db2.gz KHTQXFIKUWEVCA-UHFFFAOYSA-N -1 0 302.330 2.433 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC000846702008 651347180 /nfs/dbraw/zinc/34/71/80/651347180.db2.gz KTXJLZKXEUGVKS-PIGZYNQJSA-N -1 0 319.357 2.389 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000846711040 651347581 /nfs/dbraw/zinc/34/75/81/651347581.db2.gz WOLZOMNESIQRFI-LSDHHAIUSA-N -1 0 316.401 2.404 20 10 DECDRM C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848595739 651477026 /nfs/dbraw/zinc/47/70/26/651477026.db2.gz JSJMODXJRRKRKE-KGYLQXTDSA-N -1 0 320.389 2.327 20 10 DECDRM C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639314 651481442 /nfs/dbraw/zinc/48/14/42/651481442.db2.gz HFOYHAPOUWWGLS-ADEWGFFLSA-N -1 0 321.373 2.346 20 10 DECDRM CC1=NO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000854473838 651486502 /nfs/dbraw/zinc/48/65/02/651486502.db2.gz GHHWMRINWCKNIJ-SNVBAGLBSA-N -1 0 303.145 2.480 20 10 DECDRM COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000093082453 684047920 /nfs/dbraw/zinc/04/79/20/684047920.db2.gz PDQZSYBQMNEVFA-LLVKDONJSA-N -1 0 320.172 2.073 20 10 DECDRM COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000093082450 684047993 /nfs/dbraw/zinc/04/79/93/684047993.db2.gz PDQZSYBQMNEVFA-NSHDSACASA-N -1 0 320.172 2.073 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1O ZINC000120291519 684094999 /nfs/dbraw/zinc/09/49/99/684094999.db2.gz AXZODJCUCGKZDC-UHFFFAOYSA-N -1 0 314.344 2.471 20 10 DECDRM C[C@H](NC(=O)[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000872857413 689107646 /nfs/dbraw/zinc/10/76/46/689107646.db2.gz DLRSYUNNNPICOW-TUKIKUTGSA-N -1 0 304.390 2.431 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(C)(C)C)cc1 ZINC000872905284 689116819 /nfs/dbraw/zinc/11/68/19/689116819.db2.gz SNNJJQIVJMNCFE-UHFFFAOYSA-N -1 0 322.405 2.139 20 10 DECDRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1O ZINC000874404025 689403285 /nfs/dbraw/zinc/40/32/85/689403285.db2.gz DGZDFOUKMYMPTI-UNXYVOJBSA-N -1 0 306.362 2.396 20 10 DECDRM CC(C)C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C(=O)[O-] ZINC000874405900 689403896 /nfs/dbraw/zinc/40/38/96/689403896.db2.gz WFXWLTPHCFKLTN-GFCCVEGCSA-N -1 0 306.362 2.164 20 10 DECDRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)[O-] ZINC000874405566 689403926 /nfs/dbraw/zinc/40/39/26/689403926.db2.gz QUOXAQPZMIPJCL-VXGBXAGGSA-N -1 0 308.378 2.499 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000874425662 689410585 /nfs/dbraw/zinc/41/05/85/689410585.db2.gz LVNOAIROOGXLSM-JOCQHMNTSA-N -1 0 306.362 2.177 20 10 DECDRM [O-]c1c(CN2CCn3c(nnc3C3CC3)C2)ccc(F)c1F ZINC000876716564 689913896 /nfs/dbraw/zinc/91/38/96/689913896.db2.gz HSHFMBQCEGDSBJ-UHFFFAOYSA-N -1 0 306.316 2.155 20 10 DECDRM [O-]c1c(CN2CCn3c(CC4CC4)nnc3C2)ccc(F)c1F ZINC000877610914 690166311 /nfs/dbraw/zinc/16/63/11/690166311.db2.gz MAEJTGMFZSRDPF-UHFFFAOYSA-N -1 0 320.343 2.230 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]ncc1=O ZINC001335744333 1150518010 /nfs/dbraw/zinc/51/80/10/1150518010.db2.gz XTLOOYDQDMYHRX-UHFFFAOYSA-N -1 0 314.389 2.299 20 10 DECDRM CC[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)[O-] ZINC001353140271 1151812261 /nfs/dbraw/zinc/81/22/61/1151812261.db2.gz XPUJUFMYODSSEU-LLVKDONJSA-N -1 0 320.389 2.181 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001354084279 1151870946 /nfs/dbraw/zinc/87/09/46/1151870946.db2.gz WDCDWNKLKKMHTR-AAEUAGOBSA-N -1 0 309.337 2.334 20 10 DECDRM C[C@]1(C(=O)[O-])C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC001332029979 1149810063 /nfs/dbraw/zinc/81/00/63/1149810063.db2.gz LRUNONVWEDPYHC-RMLUDKJBSA-N -1 0 317.744 2.297 20 10 DECDRM O=C(Nc1nccnc1C1CC1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878520 791644695 /nfs/dbraw/zinc/64/46/95/791644695.db2.gz HHFUOODJGBOPIV-UHFFFAOYSA-N -1 0 321.340 2.085 20 10 DECDRM O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1O ZINC001176958198 794542257 /nfs/dbraw/zinc/54/22/57/794542257.db2.gz KRHVXBLXTVRYKQ-LBPRGKRZSA-N -1 0 321.760 2.085 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(c2ccccn2)CC1 ZINC001139683211 794841718 /nfs/dbraw/zinc/84/17/18/794841718.db2.gz BUQYNQGANADMRO-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)CCCO2 ZINC001139124816 796326215 /nfs/dbraw/zinc/32/62/15/796326215.db2.gz FTSJVWUIBPNZQR-UHFFFAOYSA-N -1 0 301.342 2.172 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(c2cccnc2)CC1 ZINC001140582904 796540702 /nfs/dbraw/zinc/54/07/02/796540702.db2.gz OZFPPQZHNSGFTF-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM COC[C@@H]1CN(Cc2c([O-])cc(F)cc2F)Cc2ncn(C)c21 ZINC001140580757 796541065 /nfs/dbraw/zinc/54/10/65/796541065.db2.gz FGKQFDPVNSIQDK-JTQLQIEISA-N -1 0 323.343 2.150 20 10 DECDRM C[C@@]1(CO)CCCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193606189 797601969 /nfs/dbraw/zinc/60/19/69/797601969.db2.gz VWJZOWFQSPAIFB-OAHLLOKOSA-N -1 0 313.781 2.376 20 10 DECDRM COc1ccnc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197128723 798151857 /nfs/dbraw/zinc/15/18/57/798151857.db2.gz NFOCPBOUIYXGKO-UHFFFAOYSA-N -1 0 317.370 2.275 20 10 DECDRM CN1CCOc2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc21 ZINC001161212603 798811423 /nfs/dbraw/zinc/81/14/23/798811423.db2.gz XWILZBUDRHCHNG-UHFFFAOYSA-N -1 0 318.304 2.318 20 10 DECDRM Cc1noc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2O)n1 ZINC001231565587 801687736 /nfs/dbraw/zinc/68/77/36/801687736.db2.gz HMUZTGSFCUFGPY-LBPRGKRZSA-N -1 0 303.318 2.119 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CCO[C@@H]2C[C@@H]21 ZINC001233029154 802008059 /nfs/dbraw/zinc/00/80/59/802008059.db2.gz AJOJZFSQZLJWMS-CMPLNLGQSA-N -1 0 302.143 2.267 20 10 DECDRM CC[C@H](O)C(=O)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938585 803297704 /nfs/dbraw/zinc/29/77/04/803297704.db2.gz WQDCCNWIBOYHFJ-LBPRGKRZSA-N -1 0 316.309 2.005 20 10 DECDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001601570025 971019286 /nfs/dbraw/zinc/01/92/86/971019286.db2.gz BGEBJHDTLTVEKW-BDAKNGLRSA-N -1 0 321.354 2.296 20 10 DECDRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001589474176 954946993 /nfs/dbraw/zinc/94/69/93/954946993.db2.gz REFSQWUPFPIDKF-SNVBAGLBSA-N -1 0 309.362 2.036 20 10 DECDRM COc1ccc(NC(=O)c2cccc(O)c2O)c(C(=O)[O-])c1 ZINC000388523497 972174231 /nfs/dbraw/zinc/17/42/31/972174231.db2.gz JKQDHIIUESFKFD-UHFFFAOYSA-N -1 0 303.270 2.057 20 10 DECDRM Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C(=O)[O-] ZINC001594316902 958074795 /nfs/dbraw/zinc/07/47/95/958074795.db2.gz YGQDDUHKFYPPQB-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM CC(C)(C)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-] ZINC001588650296 959758909 /nfs/dbraw/zinc/75/89/09/959758909.db2.gz GJFXQYJTWMIMCQ-NSHDSACASA-N -1 0 309.362 2.036 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595891505 982926067 /nfs/dbraw/zinc/92/60/67/982926067.db2.gz VMKKOGCAEGDJMH-AWEZNQCLSA-N -1 0 318.373 2.487 20 10 DECDRM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1O ZINC001599894084 984731635 /nfs/dbraw/zinc/73/16/35/984731635.db2.gz MELZAQKJGDPZSG-GMXVVIOVSA-N -1 0 306.362 2.396 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)c1ccnc(C(=O)[O-])n1 ZINC001598519549 992661942 /nfs/dbraw/zinc/66/19/42/992661942.db2.gz YAODIDPRBGYBNI-UHFFFAOYSA-N -1 0 312.373 2.411 20 10 DECDRM C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593083799 993684039 /nfs/dbraw/zinc/68/40/39/993684039.db2.gz UVLZBKKMSQZDBR-LLVKDONJSA-N -1 0 307.394 2.224 20 10 DECDRM COC(=O)c1occc1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001599019849 998969700 /nfs/dbraw/zinc/96/97/00/998969700.db2.gz SJPYDFMDABDGMT-UHFFFAOYSA-N -1 0 319.313 2.409 20 10 DECDRM CC[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-] ZINC001605120104 1070616811 /nfs/dbraw/zinc/61/68/11/1070616811.db2.gz JMCOFBAGEAPTSD-GFCCVEGCSA-N -1 0 320.370 2.336 20 10 DECDRM CC1(F)CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251398382 1142424979 /nfs/dbraw/zinc/42/49/79/1142424979.db2.gz NQNAABKWUKFXSF-UHFFFAOYSA-N -1 0 314.165 2.432 20 10 DECDRM COC(=O)c1cccc(CSc2ncc(C(=O)[O-])s2)n1 ZINC001606614094 1071175568 /nfs/dbraw/zinc/17/55/68/1071175568.db2.gz IERQUYZWAOEJMZ-UHFFFAOYSA-N -1 0 310.356 2.315 20 10 DECDRM Oc1cccc2c1CN(c1nc(-c3nnn[n-]3)c(Cl)s1)C2 ZINC001607111728 1071307778 /nfs/dbraw/zinc/30/77/78/1071307778.db2.gz FAGDRNOKZDXYQO-UHFFFAOYSA-N -1 0 320.765 2.202 20 10 DECDRM COc1nsc(CN2CCc3cc(OC)ccc32)c1C(=O)[O-] ZINC001607296264 1071397714 /nfs/dbraw/zinc/39/77/14/1071397714.db2.gz VOUHUQDGAHXLKZ-UHFFFAOYSA-N -1 0 320.370 2.421 20 10 DECDRM COc1cccc(CNC(=O)c2ccccc2C(=O)[O-])c1O ZINC001607323210 1071409380 /nfs/dbraw/zinc/40/93/80/1071409380.db2.gz CVVJBVBCTRLGMR-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM Cc1[nH]c(C(=O)N(C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC001607488253 1071457230 /nfs/dbraw/zinc/45/72/30/1071457230.db2.gz CIJLRQIPUHSLLH-UHFFFAOYSA-N -1 0 302.330 2.308 20 10 DECDRM Cc1cc(Cn2cc(CC(C)(C)C(=O)[O-])nn2)ccc1N(C)C ZINC001607658177 1071515077 /nfs/dbraw/zinc/51/50/77/1071515077.db2.gz RASKDHFRKBNBTM-UHFFFAOYSA-N -1 0 316.405 2.354 20 10 DECDRM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610716302 1078066423 /nfs/dbraw/zinc/06/64/23/1078066423.db2.gz ZTRKMMBVHRXPPC-ZETCQYMHSA-N -1 0 324.667 2.152 20 10 DECDRM Cc1cc(C(=O)[O-])cc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001611133244 1078096063 /nfs/dbraw/zinc/09/60/63/1078096063.db2.gz QDACEWSXDZZLGW-UHFFFAOYSA-N -1 0 315.325 2.077 20 10 DECDRM CCN1CC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638305976 1078557081 /nfs/dbraw/zinc/55/70/81/1078557081.db2.gz SAYPRSBXQYERPE-NSHDSACASA-N -1 0 303.189 2.409 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(CO)on1 ZINC001638305447 1078557463 /nfs/dbraw/zinc/55/74/63/1078557463.db2.gz JARBECZJXQNHMH-UHFFFAOYSA-N -1 0 317.128 2.109 20 10 DECDRM Cc1cc(C(=O)NCc2cccc(O)c2O)ccc1C(=O)[O-] ZINC001574678456 1069246474 /nfs/dbraw/zinc/24/64/74/1069246474.db2.gz CHKDOFWUWKGRGG-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590461346 1076630739 /nfs/dbraw/zinc/63/07/39/1076630739.db2.gz BEYCZQQLOOLVFX-JOYOIKCWSA-N -1 0 307.423 2.365 20 10 DECDRM Cc1ccncc1/C=C/C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001600604468 1077231731 /nfs/dbraw/zinc/23/17/31/1077231731.db2.gz ISNSMJOGUNBNJQ-MOEXGYKKSA-N -1 0 324.336 2.282 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001601570720 1077412432 /nfs/dbraw/zinc/41/24/32/1077412432.db2.gz RETWSSXWTUOYKH-APPZFPTMSA-N -1 0 321.354 2.296 20 10 DECDRM O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001601661378 1077426988 /nfs/dbraw/zinc/42/69/88/1077426988.db2.gz DNILYFOYELZDID-LLVKDONJSA-N -1 0 312.778 2.288 20 10 DECDRM O=C([O-])c1ccoc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001608287039 1077622344 /nfs/dbraw/zinc/62/23/44/1077622344.db2.gz IIXVWCHRYGTILP-DUXPYHPUSA-N -1 0 304.254 2.146 20 10 DECDRM O=C([O-])c1cccc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001608462734 1077644229 /nfs/dbraw/zinc/64/42/29/1077644229.db2.gz LUABGFOMDMQTKL-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM COc1c([O-])c(C[NH2+]C2(CC(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001610278617 1077999175 /nfs/dbraw/zinc/99/91/75/1077999175.db2.gz VAZJYEHMQHHSFO-UHFFFAOYSA-N -1 0 324.333 2.186 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1cc(Br)c(C)cc1O ZINC001237678717 1080473331 /nfs/dbraw/zinc/47/33/31/1080473331.db2.gz LIXNDUQRVAJFMH-SECBINFHSA-N -1 0 316.195 2.456 20 10 DECDRM COc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])cnc1OC ZINC001662892221 1080673783 /nfs/dbraw/zinc/67/37/83/1080673783.db2.gz ZZQMXSINNUYSQH-UHFFFAOYSA-N -1 0 305.290 2.325 20 10 DECDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1O ZINC001648889770 1082116339 /nfs/dbraw/zinc/11/63/39/1082116339.db2.gz LACDXALRDHLTEG-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236804223 1138433573 /nfs/dbraw/zinc/43/35/73/1138433573.db2.gz XLYQWSKSMFGMPU-UWVGGRQHSA-N -1 0 317.744 2.140 20 10 DECDRM O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)CCO4)cc(O)c1[O-] ZINC001251027717 1142370038 /nfs/dbraw/zinc/37/00/38/1142370038.db2.gz VCWYKVSYYLNBTB-UHFFFAOYSA-N -1 0 313.269 2.484 20 10 DECDRM COC[C@H](C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251384576 1142425172 /nfs/dbraw/zinc/42/51/72/1142425172.db2.gz XUPSGLOWPZAQAM-LURJTMIESA-N -1 0 314.190 2.012 20 10 DECDRM CSCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251428952 1142432151 /nfs/dbraw/zinc/43/21/51/1142432151.db2.gz DXVPRRJNTSYTJE-UHFFFAOYSA-N -1 0 316.231 2.340 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256073461 1143827510 /nfs/dbraw/zinc/82/75/10/1143827510.db2.gz TZUDZUQQEBANQU-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM C[C@H]1C[C@H]1c1nnc(-c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001256647457 1143859656 /nfs/dbraw/zinc/85/96/56/1143859656.db2.gz PYFASPRVRYMMKA-POYBYMJQSA-N -1 0 300.270 2.378 20 10 DECDRM Cc1ncccc1/C=C\c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000675724502 541376434 /nfs/dbraw/zinc/37/64/34/541376434.db2.gz KOAGGNSUSDMPCV-HJWRWDBZSA-N -1 0 321.336 2.355 20 10 DECDRM CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000282754250 403159381 /nfs/dbraw/zinc/15/93/81/403159381.db2.gz OJCICBLNJDWTRK-SNVBAGLBSA-N -1 0 324.229 2.318 20 10 DECDRM CCN(CCS(C)(=O)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000294200387 403671583 /nfs/dbraw/zinc/67/15/83/403671583.db2.gz KTNFZFQNODMRPT-UHFFFAOYSA-N -1 0 309.790 2.051 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000295066879 403749369 /nfs/dbraw/zinc/74/93/69/403749369.db2.gz AMDPUXCYXLPOOG-SECBINFHSA-N -1 0 300.761 2.237 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000189435275 523829402 /nfs/dbraw/zinc/82/94/02/523829402.db2.gz HMOWSTDCPSVOEL-UHFFFAOYSA-N -1 0 315.782 2.142 20 10 DECDRM CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000818390616 597049711 /nfs/dbraw/zinc/04/97/11/597049711.db2.gz BAAUCXJJUDMDQE-AWEZNQCLSA-N -1 0 319.405 2.149 20 10 DECDRM CC(C)[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000820053454 598193200 /nfs/dbraw/zinc/19/32/00/598193200.db2.gz YMGYKPYUJDHZEB-JTQLQIEISA-N -1 0 302.714 2.153 20 10 DECDRM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000320949517 599844569 /nfs/dbraw/zinc/84/45/69/599844569.db2.gz GOCRQCGEGIPECQ-UHFFFAOYSA-N -1 0 316.357 2.309 20 10 DECDRM O=C([O-])CN(C(=O)/C=C/c1cncc(F)c1)c1cccc(F)c1 ZINC000833242052 601145190 /nfs/dbraw/zinc/14/51/90/601145190.db2.gz HXPOBDQPSABGIW-SNAWJCMRSA-N -1 0 318.279 2.491 20 10 DECDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000833182488 601271773 /nfs/dbraw/zinc/27/17/73/601271773.db2.gz YFNIJUNFWXGCIB-WDEREUQCSA-N -1 0 322.324 2.056 20 10 DECDRM O=C([O-])/C=C\c1ccc(N(CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000833196757 601589534 /nfs/dbraw/zinc/58/95/34/601589534.db2.gz XMBGHIMKKHPXEY-CLTKARDFSA-N -1 0 306.318 2.044 20 10 DECDRM CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000769563550 601676265 /nfs/dbraw/zinc/67/62/65/601676265.db2.gz LCNBKBZHKZDBOE-CYBMUJFWSA-N -1 0 301.346 2.082 20 10 DECDRM CS/C=C/C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000829716447 603595507 /nfs/dbraw/zinc/59/55/07/603595507.db2.gz IDOATIFWLKSUJT-MMQHEFTJSA-N -1 0 323.418 2.054 20 10 DECDRM CC(C)(CNC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000823960778 603801043 /nfs/dbraw/zinc/80/10/43/603801043.db2.gz RRYFTKDCMFAHRC-UHFFFAOYSA-N -1 0 320.389 2.181 20 10 DECDRM O=C([O-])[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000236433573 604524007 /nfs/dbraw/zinc/52/40/07/604524007.db2.gz DEPAMKFSDNPMCR-JTQLQIEISA-N -1 0 300.152 2.204 20 10 DECDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1c(O)cccc1Cl ZINC000833504470 604767068 /nfs/dbraw/zinc/76/70/68/604767068.db2.gz BYWIDOXQEAXKFY-LBPRGKRZSA-N -1 0 301.770 2.356 20 10 DECDRM CCOc1nnc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000833665066 605441570 /nfs/dbraw/zinc/44/15/70/605441570.db2.gz JSJYGODQPANFIF-UHFFFAOYSA-N -1 0 323.374 2.037 20 10 DECDRM C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC[C@H]1C(=O)[O-] ZINC000833566925 605528697 /nfs/dbraw/zinc/52/86/97/605528697.db2.gz IXJWTCFYIKOUBY-ZNJAWNNTSA-N -1 0 319.357 2.261 20 10 DECDRM CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833853175 605837197 /nfs/dbraw/zinc/83/71/97/605837197.db2.gz GZJOOIOKWZHANA-LLVKDONJSA-N -1 0 322.361 2.011 20 10 DECDRM O=C([O-])NC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834225714 605992545 /nfs/dbraw/zinc/99/25/45/605992545.db2.gz QITHOUMZIBNLMP-MRVPVSSYSA-N -1 0 302.733 2.274 20 10 DECDRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1=CC(=O)CS1 ZINC000834158552 606014874 /nfs/dbraw/zinc/01/48/74/606014874.db2.gz CUQDKGMDNPWEEE-HMKSTLMESA-N -1 0 324.402 2.398 20 10 DECDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000833830222 606074555 /nfs/dbraw/zinc/07/45/55/606074555.db2.gz MHVASDCLGLVUGZ-BLLLJJGKSA-N -1 0 306.362 2.225 20 10 DECDRM CCn1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)nc1C ZINC000070333921 623545902 /nfs/dbraw/zinc/54/59/02/623545902.db2.gz NRGJZMPOKDIXPY-UHFFFAOYSA-N -1 0 315.782 2.371 20 10 DECDRM Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000182410211 625257281 /nfs/dbraw/zinc/25/72/81/625257281.db2.gz ZZWJNHOXKZWHCG-UHFFFAOYSA-N -1 0 308.315 2.410 20 10 DECDRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894531804 637092657 /nfs/dbraw/zinc/09/26/57/637092657.db2.gz DIMTVRZUYRTFMJ-IUPBHXKESA-N -1 0 311.328 2.444 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)[S@]1=O ZINC000894747016 637188958 /nfs/dbraw/zinc/18/89/58/637188958.db2.gz GZAPCWDZMKKIPM-DYLYQXKESA-N -1 0 303.374 2.402 20 10 DECDRM COCC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000839145988 637788555 /nfs/dbraw/zinc/78/85/55/637788555.db2.gz ZJTGCIXQFSPOQG-UHFFFAOYSA-N -1 0 300.742 2.422 20 10 DECDRM CC(C)C1(O)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000839133751 637801723 /nfs/dbraw/zinc/80/17/23/637801723.db2.gz ZIUPSEURPWNYJV-UHFFFAOYSA-N -1 0 300.742 2.157 20 10 DECDRM Cc1ccc(-n2[n-]c(C(=O)NCc3ccccc3O)cc2=O)cc1 ZINC000769362877 641225843 /nfs/dbraw/zinc/22/58/43/641225843.db2.gz LJPOCNHFIFPGGK-UHFFFAOYSA-N -1 0 323.352 2.110 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000769540816 641258359 /nfs/dbraw/zinc/25/83/59/641258359.db2.gz JPXQECZLQORHGF-UHFFFAOYSA-N -1 0 324.336 2.172 20 10 DECDRM CC[C@H]1C(=O)NCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000898558516 641704165 /nfs/dbraw/zinc/70/41/65/641704165.db2.gz RSKRTTQGLBGDAS-NSHDSACASA-N -1 0 300.761 2.285 20 10 DECDRM CC(C)C(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775646747 642071634 /nfs/dbraw/zinc/07/16/34/642071634.db2.gz NPEBXHJIYFTRBU-UHFFFAOYSA-N -1 0 314.788 2.485 20 10 DECDRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775699273 642081132 /nfs/dbraw/zinc/08/11/32/642081132.db2.gz CCXXCVLKFQAUKZ-RKDXNWHRSA-N -1 0 323.817 2.438 20 10 DECDRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775713883 642083035 /nfs/dbraw/zinc/08/30/35/642083035.db2.gz KQBLXUDRHNLMJG-RKDXNWHRSA-N -1 0 321.801 2.192 20 10 DECDRM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])C(C)(C)C1=O ZINC000775717907 642084214 /nfs/dbraw/zinc/08/42/14/642084214.db2.gz USQSEFSXXCLOBO-UHFFFAOYSA-N -1 0 300.761 2.237 20 10 DECDRM O=C1OCC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN12 ZINC000775743308 642087567 /nfs/dbraw/zinc/08/75/67/642087567.db2.gz DYVRFAWADRSUKZ-NSHDSACASA-N -1 0 314.744 2.211 20 10 DECDRM Cc1cccc(CS(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000776435065 642172818 /nfs/dbraw/zinc/17/28/18/642172818.db2.gz XRCKJCRRMRCZOF-UHFFFAOYSA-N -1 0 321.354 2.341 20 10 DECDRM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175092 644084159 /nfs/dbraw/zinc/08/41/59/644084159.db2.gz NEODDNBIINBOGH-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM CCCN(CC(=O)[O-])c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000794401319 644410498 /nfs/dbraw/zinc/41/04/98/644410498.db2.gz DUPPJUNMGFISNI-FNORWQNLSA-N -1 0 322.317 2.082 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1O ZINC000797819787 644927187 /nfs/dbraw/zinc/92/71/87/644927187.db2.gz SNVMZRPNRZMWAI-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCCF ZINC000911359841 645683898 /nfs/dbraw/zinc/68/38/98/645683898.db2.gz IHPGRCPBMARRMB-UHFFFAOYSA-N -1 0 303.717 2.209 20 10 DECDRM COc1ccc(O)c(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000911387738 645689082 /nfs/dbraw/zinc/68/90/82/645689082.db2.gz SQYLEYXYZKVRAA-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911492805 645723152 /nfs/dbraw/zinc/72/31/52/645723152.db2.gz JNJJKUCFCOAYBP-YXCITZCRSA-N -1 0 303.358 2.098 20 10 DECDRM Cn1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000807838887 645995259 /nfs/dbraw/zinc/99/52/59/645995259.db2.gz BIOPDPGRDNMKHH-UHFFFAOYSA-N -1 0 314.172 2.291 20 10 DECDRM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCS(=O)(=O)C1 ZINC000816592934 647156960 /nfs/dbraw/zinc/15/69/60/647156960.db2.gz YRVLGGSDHRVYEM-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000844210776 651093404 /nfs/dbraw/zinc/09/34/04/651093404.db2.gz HZUMBUSKPHAPCY-YVARQFDVSA-N -1 0 320.345 2.290 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000844210748 651093439 /nfs/dbraw/zinc/09/34/39/651093439.db2.gz GNHZLOXNGRDBAG-FUEXJSSKSA-N -1 0 306.318 2.044 20 10 DECDRM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000844938039 651185563 /nfs/dbraw/zinc/18/55/63/651185563.db2.gz UEYPCCAGUCIYMV-SECBINFHSA-N -1 0 302.714 2.249 20 10 DECDRM CN(CCOCC(F)(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC000846279772 651319976 /nfs/dbraw/zinc/31/99/76/651319976.db2.gz KPZVBHUZWXUABG-UHFFFAOYSA-N -1 0 307.268 2.165 20 10 DECDRM C[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000848560282 651470585 /nfs/dbraw/zinc/47/05/85/651470585.db2.gz CHRKCNYAGTYDSO-QMMMGPOBSA-N -1 0 311.336 2.263 20 10 DECDRM C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848595740 651477274 /nfs/dbraw/zinc/47/72/74/651477274.db2.gz JSJMODXJRRKRKE-WCFLWFBJSA-N -1 0 320.389 2.327 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000852943181 652481657 /nfs/dbraw/zinc/48/16/57/652481657.db2.gz SKOALNRJBPPRFL-XXFAHNHDSA-N -1 0 307.346 2.079 20 10 DECDRM CCOC(=O)[C@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876561984 689857529 /nfs/dbraw/zinc/85/75/29/689857529.db2.gz MKPFBQSMKAYBKT-LLVKDONJSA-N -1 0 317.357 2.151 20 10 DECDRM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876810558 689944188 /nfs/dbraw/zinc/94/41/88/689944188.db2.gz BMGOHVFNGMDSRL-LBPRGKRZSA-N -1 0 317.332 2.069 20 10 DECDRM Cn1ncc2c1CN(Cc1cccc(Br)c1[O-])C2 ZINC000877632496 690173822 /nfs/dbraw/zinc/17/38/22/690173822.db2.gz BEECAPAPJIMAJT-UHFFFAOYSA-N -1 0 308.179 2.404 20 10 DECDRM CCN1CC(=O)N[C@@H]1c1cc(Cl)cc(Br)c1[O-] ZINC000887329597 692334494 /nfs/dbraw/zinc/33/44/94/692334494.db2.gz KRCRPSFTUYFUOB-NSHDSACASA-N -1 0 319.586 2.258 20 10 DECDRM CC(C)CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1=O ZINC001181101454 795418967 /nfs/dbraw/zinc/41/89/67/795418967.db2.gz CBGKJUTWFKADKC-NSHDSACASA-N -1 0 312.360 2.359 20 10 DECDRM O=C(C1CCC1)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686126 796410187 /nfs/dbraw/zinc/41/01/87/796410187.db2.gz OBVBWFDXXHDQOL-UHFFFAOYSA-N -1 0 310.344 2.115 20 10 DECDRM CCOC(=O)[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])CCS1 ZINC001139687828 796410284 /nfs/dbraw/zinc/41/02/84/796410284.db2.gz QRSFRNDMOVQCEP-LBPRGKRZSA-N -1 0 317.357 2.151 20 10 DECDRM [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001139684124 796410416 /nfs/dbraw/zinc/41/04/16/796410416.db2.gz HHHUJQNIURHEMU-APPZFPTMSA-N -1 0 311.250 2.273 20 10 DECDRM COCc1noc2c1CN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580574 796540987 /nfs/dbraw/zinc/54/09/87/796540987.db2.gz HKYRFTHSSYKNDC-UHFFFAOYSA-N -1 0 310.300 2.363 20 10 DECDRM Cn1ncc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cnc21 ZINC001193605798 797601614 /nfs/dbraw/zinc/60/16/14/797601614.db2.gz LDQIZEVRBOYROQ-UHFFFAOYSA-N -1 0 318.720 2.285 20 10 DECDRM CC1(C)CN(C(=O)c2cc(O)c([O-])c(Cl)c2)[C@](C)(CO)C1 ZINC001193605762 797602127 /nfs/dbraw/zinc/60/21/27/797602127.db2.gz KHKICKSIERQGGA-HNNXBMFYSA-N -1 0 313.781 2.374 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(Cl)n1 ZINC001198231360 798300968 /nfs/dbraw/zinc/30/09/68/798300968.db2.gz KXTJFAZQULFDHS-UHFFFAOYSA-N -1 0 302.714 2.381 20 10 DECDRM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000208712870 799135329 /nfs/dbraw/zinc/13/53/29/799135329.db2.gz HKERYUYTCCLVDT-ZROIWOOFSA-N -1 0 323.308 2.365 20 10 DECDRM O=S1CC2(CN(Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001203574466 800083261 /nfs/dbraw/zinc/08/32/61/800083261.db2.gz XPKMARAKBKHLEX-UHFFFAOYSA-N -1 0 306.214 2.263 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCO[C@@H](c3ccccn3)C2)c1 ZINC001231565416 801688151 /nfs/dbraw/zinc/68/81/51/801688151.db2.gz VLLPUZMCDGSKEU-MRXNPFEDSA-N -1 0 314.341 2.059 20 10 DECDRM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566146 801688362 /nfs/dbraw/zinc/68/83/62/801688362.db2.gz RUDWZRUVRXBLGR-JTQLQIEISA-N -1 0 309.362 2.252 20 10 DECDRM Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)ncn1 ZINC001231913591 801749766 /nfs/dbraw/zinc/74/97/66/801749766.db2.gz OFVFJWKIMMWYKJ-UHFFFAOYSA-N -1 0 318.808 2.466 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593760617 954483685 /nfs/dbraw/zinc/48/36/85/954483685.db2.gz FVQNECFPVTUATP-UHFFFAOYSA-N -1 0 315.325 2.128 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000033500546 957187434 /nfs/dbraw/zinc/18/74/34/957187434.db2.gz MNHPIRAMKNBFRZ-IYNGYCSASA-N -1 0 320.345 2.434 20 10 DECDRM COc1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(O)c1 ZINC001594094732 958394289 /nfs/dbraw/zinc/39/42/89/958394289.db2.gz VUTAQBNIFDTMCW-ALCCZGGFSA-N -1 0 317.297 2.022 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001594373131 958558058 /nfs/dbraw/zinc/55/80/58/958558058.db2.gz CRZVHZPDKPTPRZ-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM CC(C)C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(=O)[O-] ZINC001573531184 959162464 /nfs/dbraw/zinc/16/24/64/959162464.db2.gz FRPQIIDTHGXCHC-BPJJOFIESA-N -1 0 321.373 2.364 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(O)c1O ZINC001574351437 960993185 /nfs/dbraw/zinc/99/31/85/960993185.db2.gz YGKMGAREJQTRST-LBPRGKRZSA-N -1 0 319.288 2.101 20 10 DECDRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1[C@@H]3CCC(=O)[C@@H]31)CCCC2 ZINC001606460773 973917826 /nfs/dbraw/zinc/91/78/26/973917826.db2.gz WGJNFSNVOVYEQK-GGZOMVNGSA-N -1 0 319.382 2.489 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592883299 979759679 /nfs/dbraw/zinc/75/96/79/979759679.db2.gz PEZXUPYPQHKZSZ-KGYLQXTDSA-N -1 0 321.373 2.036 20 10 DECDRM CCn1cnc2c1ncnc2Sc1ncc(C(=O)[O-])s1 ZINC001597920924 989849709 /nfs/dbraw/zinc/84/97/09/989849709.db2.gz SBEGAMGTXGVQIR-UHFFFAOYSA-N -1 0 307.360 2.152 20 10 DECDRM COc1ccc(N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)cc1OC ZINC001599584293 993591395 /nfs/dbraw/zinc/59/13/95/993591395.db2.gz PFOVBCBUXVMZCL-GFCCVEGCSA-N -1 0 307.346 2.288 20 10 DECDRM CC1(C(=O)[O-])C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC001593807985 996539943 /nfs/dbraw/zinc/53/99/43/996539943.db2.gz JFTJWBZESJVPKQ-UHFFFAOYSA-N -1 0 300.152 2.061 20 10 DECDRM COCC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599194730 997193451 /nfs/dbraw/zinc/19/34/51/997193451.db2.gz ISYRCVPIVJACOF-GQCTYLIASA-N -1 0 306.318 2.165 20 10 DECDRM COC(=O)c1cc(OCc2ccoc2C(=O)[O-])ccc1N(C)C ZINC001598951937 998170716 /nfs/dbraw/zinc/17/07/16/998170716.db2.gz RKBWWFFSJLPPFS-UHFFFAOYSA-N -1 0 319.313 2.409 20 10 DECDRM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001599149649 998273564 /nfs/dbraw/zinc/27/35/64/998273564.db2.gz MQLZNHASWDPFAE-ZDUSSCGKSA-N -1 0 305.733 2.154 20 10 DECDRM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001598984330 998686677 /nfs/dbraw/zinc/68/66/77/998686677.db2.gz LIUIOTWCMAKXFQ-WZRBSPASSA-N -1 0 321.373 2.473 20 10 DECDRM O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001602308343 1069598287 /nfs/dbraw/zinc/59/82/87/1069598287.db2.gz JNKRYBYCIXFUAJ-LLVKDONJSA-N -1 0 323.299 2.190 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]1 ZINC001602323979 1069605286 /nfs/dbraw/zinc/60/52/86/1069605286.db2.gz VPMYRPKGMPEWLD-UHFFFAOYSA-N -1 0 314.341 2.227 20 10 DECDRM O=C([O-])c1cnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001602534486 1069665953 /nfs/dbraw/zinc/66/59/53/1069665953.db2.gz DPFCEYYJTZUZDA-UHFFFAOYSA-N -1 0 324.340 2.160 20 10 DECDRM C/C(=C\c1cccnc1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001602985962 1069823928 /nfs/dbraw/zinc/82/39/28/1069823928.db2.gz RYYLIABITZUHON-FMIVXFBMSA-N -1 0 311.341 2.306 20 10 DECDRM C[C@@H](O)[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001604386975 1070356621 /nfs/dbraw/zinc/35/66/21/1070356621.db2.gz HFDYZRZAZFFACA-ZXIUILOBSA-N -1 0 306.318 2.042 20 10 DECDRM C[C@H](O)[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001604386974 1070357890 /nfs/dbraw/zinc/35/78/90/1070357890.db2.gz HFDYZRZAZFFACA-VYELJELPSA-N -1 0 306.318 2.042 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC001604811148 1070503211 /nfs/dbraw/zinc/50/32/11/1070503211.db2.gz AOLGKKREBZXXEK-RXNUUUNCSA-N -1 0 304.302 2.108 20 10 DECDRM CCCCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC001605257980 1070662402 /nfs/dbraw/zinc/66/24/02/1070662402.db2.gz BLSICCYHXPNTKW-ZVTBTPLYSA-N -1 0 307.346 2.261 20 10 DECDRM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(O)c1 ZINC001605690791 1070842350 /nfs/dbraw/zinc/84/23/50/1070842350.db2.gz QXJZXTPDDXJSKS-HZUKXOBISA-N -1 0 305.374 2.476 20 10 DECDRM CN(Cc1ncccn1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001606177063 1071065808 /nfs/dbraw/zinc/06/58/08/1071065808.db2.gz JVKLSSTYNZWJIC-XQRVVYSFSA-N -1 0 314.301 2.119 20 10 DECDRM COc1c(Sc2ncc(Cl)s2)ncnc1C(=O)[O-] ZINC001607050508 1071284371 /nfs/dbraw/zinc/28/43/71/1071284371.db2.gz OQBPDINQRUYWJF-UHFFFAOYSA-N -1 0 303.752 2.445 20 10 DECDRM O=C(Nc1ccc(OC(F)F)cn1)c1c(F)ccc(O)c1[O-] ZINC001457830289 1058030839 /nfs/dbraw/zinc/03/08/39/1058030839.db2.gz QBWVCKDFNJABTN-UHFFFAOYSA-N -1 0 314.219 2.486 20 10 DECDRM COc1cccc2[nH]c(NC(=O)c3c(F)ccc(O)c3[O-])nc21 ZINC001472616461 1060554960 /nfs/dbraw/zinc/55/49/60/1060554960.db2.gz WAPFACGXWDXJIF-UHFFFAOYSA-N -1 0 317.276 2.374 20 10 DECDRM Cn1c(=O)[nH]cc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001625688824 1078249525 /nfs/dbraw/zinc/24/95/25/1078249525.db2.gz KRVXSOHKLSRQHK-UHFFFAOYSA-N -1 0 316.144 2.068 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CC2(CCO2)C1 ZINC001235069068 1079006727 /nfs/dbraw/zinc/00/67/27/1079006727.db2.gz PADZJWSNAAHSED-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)C(=O)[O-])cc1 ZINC001600377567 1077190352 /nfs/dbraw/zinc/19/03/52/1077190352.db2.gz QGRXRBDQXSXCHX-CYBMUJFWSA-N -1 0 315.325 2.004 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2C3CCC2(CO)CC3)c([N+](=O)[O-])c1 ZINC001601881329 1077469215 /nfs/dbraw/zinc/46/92/15/1077469215.db2.gz QPARKGYPISXXFI-RQOWECAXSA-N -1 0 318.329 2.186 20 10 DECDRM O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC001608534797 1077651462 /nfs/dbraw/zinc/65/14/62/1077651462.db2.gz PMWDQOUGDWWZKZ-LLVKDONJSA-N -1 0 314.179 2.498 20 10 DECDRM O=C([O-])C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCOCC1 ZINC001608746952 1077688586 /nfs/dbraw/zinc/68/85/86/1077688586.db2.gz VVZHWPBVSVIWLQ-UHFFFAOYSA-N -1 0 317.744 2.250 20 10 DECDRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001608779393 1077693856 /nfs/dbraw/zinc/69/38/56/1077693856.db2.gz VUQYAYSJVVVKDK-UHFFFAOYSA-N -1 0 319.288 2.045 20 10 DECDRM O=C([O-])c1cc(NC(=O)C2=CC(=O)CS2)cc([N+](=O)[O-])c1 ZINC001608855506 1077708347 /nfs/dbraw/zinc/70/83/47/1077708347.db2.gz SQQFMARVSSUTLI-UHFFFAOYSA-N -1 0 308.271 2.312 20 10 DECDRM O=C([O-])c1ccnc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001608951732 1077727950 /nfs/dbraw/zinc/72/79/50/1077727950.db2.gz LDHOLGVLGRPLOB-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM O=C([O-])c1cnc(SC[C@@H](O)COCc2ccco2)s1 ZINC001608978569 1077732169 /nfs/dbraw/zinc/73/21/69/1077732169.db2.gz GGRZNOOZVNRKDG-QMMMGPOBSA-N -1 0 315.372 2.104 20 10 DECDRM C[C@H]1C[C@H](C)CN(C(=O)CSc2ncc(C(=O)[O-])s2)C1 ZINC001609841007 1077935368 /nfs/dbraw/zinc/93/53/68/1077935368.db2.gz NSUIVXCBDHKIHZ-IUCAKERBSA-N -1 0 314.432 2.438 20 10 DECDRM CC(=O)NCc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001610437728 1078020196 /nfs/dbraw/zinc/02/01/96/1078020196.db2.gz BWLCIHZMPOBPMI-UHFFFAOYSA-N -1 0 318.304 2.125 20 10 DECDRM COc1ccc(CN2CC[C@@](C)(O)[C@@H](F)C2)c([O-])c1Cl ZINC001236801200 1079955853 /nfs/dbraw/zinc/95/58/53/1079955853.db2.gz HGQXPNUKBRAYJO-SMDDNHRTSA-N -1 0 303.761 2.349 20 10 DECDRM O=C1COc2cccc(NCc3cc([N+](=O)[O-])ccc3[O-])c2N1 ZINC001657867327 1080188530 /nfs/dbraw/zinc/18/85/30/1080188530.db2.gz HHQJQBHZNPQHNC-UHFFFAOYSA-N -1 0 315.285 2.243 20 10 DECDRM O=c1cc(-c2nc(-c3ccccc3-n3ccnc3)no2)cc([O-])[nH]1 ZINC001212565237 1086558489 /nfs/dbraw/zinc/55/84/89/1086558489.db2.gz DZJJXZGFWAWEKW-UHFFFAOYSA-N -1 0 321.296 2.396 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001275306769 1091661319 /nfs/dbraw/zinc/66/13/19/1091661319.db2.gz OHJGJJNYZPCDDZ-UHFFFAOYSA-N -1 0 319.355 2.459 20 10 DECDRM COc1ccc(CN2C[C@H](F)C[C@H](CO)C2)c([O-])c1Cl ZINC001236802110 1138432800 /nfs/dbraw/zinc/43/28/00/1138432800.db2.gz OTVDJKNXMYDWSE-GXSJLCMTSA-N -1 0 303.761 2.207 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237808479 1138797132 /nfs/dbraw/zinc/79/71/32/1138797132.db2.gz SVZCXQBTPYWXTG-AAEUAGOBSA-N -1 0 309.715 2.429 20 10 DECDRM O=C(C1CC1)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237814280 1138800376 /nfs/dbraw/zinc/80/03/76/1138800376.db2.gz PXDNLSJLYQKPRV-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM O=C([O-])c1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001242338306 1139893427 /nfs/dbraw/zinc/89/34/27/1139893427.db2.gz ZEDATTQROYRCPW-UHFFFAOYSA-N -1 0 307.309 2.052 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](c2ncccn2)C2CC2)c1 ZINC001308530629 1147478581 /nfs/dbraw/zinc/47/85/81/1147478581.db2.gz MUNOAYBHZZWAIY-CQSZACIVSA-N -1 0 300.318 2.331 20 10 DECDRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000492996538 249191664 /nfs/dbraw/zinc/19/16/64/249191664.db2.gz MHOWXRPJGOKZBU-GXMNPTEKSA-N -1 0 312.300 2.449 20 10 DECDRM CC(C)(C)c1nnc(CNC(=O)c2cccc(O)c2O)s1 ZINC000279066373 402900110 /nfs/dbraw/zinc/90/01/10/402900110.db2.gz CLEFHURHJXFGPP-UHFFFAOYSA-N -1 0 307.375 2.177 20 10 DECDRM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[S@](=O)C1 ZINC000365446206 404662402 /nfs/dbraw/zinc/66/24/02/404662402.db2.gz HKFIVWIKUXAVBY-UGZDLDLSSA-N -1 0 305.802 2.385 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccn1 ZINC000236706929 524116724 /nfs/dbraw/zinc/11/67/24/524116724.db2.gz TVYULCCEPWLERI-OAHLLOKOSA-N -1 0 315.373 2.328 20 10 DECDRM CO[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000319902291 599809261 /nfs/dbraw/zinc/80/92/61/599809261.db2.gz HVZPQXCOIVGPFJ-HWPRWLFBSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])c1ccc(O)c([C@H]2NC(=O)c3ccc(F)cc3N2)c1 ZINC000740155030 599942935 /nfs/dbraw/zinc/94/29/35/599942935.db2.gz LGGYSCHYLNXVCS-CYBMUJFWSA-N -1 0 302.261 2.084 20 10 DECDRM CCC1(O)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829069464 600821458 /nfs/dbraw/zinc/82/14/58/600821458.db2.gz MFVOLYRBRUVFCA-XQRVVYSFSA-N -1 0 320.345 2.434 20 10 DECDRM CN(C[C@H]1CCOC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000399598215 601251563 /nfs/dbraw/zinc/25/15/63/601251563.db2.gz NIVZBKJKTWPAGW-KTLBGCOUSA-N -1 0 306.318 2.165 20 10 DECDRM O=C([O-])/C=C/c1ccc(N(CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000833196759 601589689 /nfs/dbraw/zinc/58/96/89/601589689.db2.gz XMBGHIMKKHPXEY-XVNBXDOJSA-N -1 0 306.318 2.044 20 10 DECDRM CCOC(=O)[C@@H](C)N(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829822290 601928531 /nfs/dbraw/zinc/92/85/31/601928531.db2.gz DUUYRXKIEGDRFM-QEHWCHDUSA-N -1 0 322.317 2.080 20 10 DECDRM CC(C)CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000824171230 603032036 /nfs/dbraw/zinc/03/20/36/603032036.db2.gz XUILGWXQPZILOE-AWEZNQCLSA-N -1 0 307.394 2.224 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000829483794 603570102 /nfs/dbraw/zinc/57/01/02/603570102.db2.gz KZKUMPMFOBUVPT-WDEREUQCSA-N -1 0 322.361 2.111 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000829483791 603570110 /nfs/dbraw/zinc/57/01/10/603570110.db2.gz KZKUMPMFOBUVPT-GHMZBOCLSA-N -1 0 322.361 2.111 20 10 DECDRM CS/C=C\C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000829716449 603595639 /nfs/dbraw/zinc/59/56/39/603595639.db2.gz IDOATIFWLKSUJT-YXVBKTCISA-N -1 0 323.418 2.054 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826912178 603871675 /nfs/dbraw/zinc/87/16/75/603871675.db2.gz SAWWUYQAEHOTTC-MRXNPFEDSA-N -1 0 324.352 2.223 20 10 DECDRM C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C(=O)[O-] ZINC000833694555 604627734 /nfs/dbraw/zinc/62/77/34/604627734.db2.gz MDMSSPNOMUTHTJ-UHFFFAOYSA-N -1 0 302.714 2.249 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738402484 605726763 /nfs/dbraw/zinc/72/67/63/605726763.db2.gz VLVIBRPACMJHMN-HNNXBMFYSA-N -1 0 321.421 2.360 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000314139945 625757726 /nfs/dbraw/zinc/75/77/26/625757726.db2.gz HFWXPBAJFKPEKY-FOYPTKHBSA-N -1 0 306.318 2.306 20 10 DECDRM O=C([O-])c1cc(NS(=O)(=O)CCC2CCCC2)ccc1O ZINC000837285820 650181712 /nfs/dbraw/zinc/18/17/12/650181712.db2.gz YUNBULSRXKIAQY-UHFFFAOYSA-N -1 0 313.375 2.412 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCO[C@@H](CF)C1 ZINC000840954175 635476312 /nfs/dbraw/zinc/47/63/12/635476312.db2.gz ICVRWZILKHVWIS-JTQLQIEISA-N -1 0 304.159 2.325 20 10 DECDRM C[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000318519580 635629929 /nfs/dbraw/zinc/62/99/29/635629929.db2.gz VYHLMEZHMFKZBM-CYBMUJFWSA-N -1 0 304.390 2.356 20 10 DECDRM CCN(Cc1cc(F)cc(F)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000894025456 636095195 /nfs/dbraw/zinc/09/51/95/636095195.db2.gz BBZRRKBFWXXOFS-JTQLQIEISA-N -1 0 321.389 2.316 20 10 DECDRM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894095543 636111018 /nfs/dbraw/zinc/11/10/18/636111018.db2.gz RUYVTEVGJRZKJA-CYBMUJFWSA-N -1 0 317.332 2.069 20 10 DECDRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC000929043000 640514766 /nfs/dbraw/zinc/51/47/66/640514766.db2.gz IFYPEDIICLTWFI-LLVKDONJSA-N -1 0 305.378 2.120 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898192879 641055818 /nfs/dbraw/zinc/05/58/18/641055818.db2.gz MRTVPHHMSWJHJH-MNOVXSKESA-N -1 0 304.159 2.059 20 10 DECDRM CS(=O)(=O)CCN(Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775727341 642086724 /nfs/dbraw/zinc/08/67/24/642086724.db2.gz BYBFKOYKFWBLSP-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM CCC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000780399352 642621161 /nfs/dbraw/zinc/62/11/61/642621161.db2.gz VVVVTIOAZHPJMY-OAHLLOKOSA-N -1 0 319.405 2.339 20 10 DECDRM C[C@H]1CCC[C@]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])(C(=O)[O-])C1 ZINC000789902416 643787008 /nfs/dbraw/zinc/78/70/08/643787008.db2.gz NMEOFUCADNBUNN-ZUZCIYMTSA-N -1 0 308.334 2.424 20 10 DECDRM CC(=O)N(C)c1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789988908 643800757 /nfs/dbraw/zinc/80/07/57/643800757.db2.gz BMTPYRIIQMFKHH-UHFFFAOYSA-N -1 0 318.304 2.472 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000790415738 643850069 /nfs/dbraw/zinc/85/00/69/643850069.db2.gz KBGDUXXBTOKNNP-UHFFFAOYSA-N -1 0 309.391 2.280 20 10 DECDRM COc1cncc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000799124699 645128526 /nfs/dbraw/zinc/12/85/26/645128526.db2.gz WCZTZBUAOFCJLR-UHFFFAOYSA-N -1 0 314.750 2.250 20 10 DECDRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000911096847 645630422 /nfs/dbraw/zinc/63/04/22/645630422.db2.gz QTSAHFHXWZUCAY-KGLIPLIRSA-N -1 0 321.373 2.011 20 10 DECDRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000911120275 645635855 /nfs/dbraw/zinc/63/58/55/645635855.db2.gz MHTZEIJLUIPWRX-UHFFFAOYSA-N -1 0 302.330 2.282 20 10 DECDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000911221854 645654775 /nfs/dbraw/zinc/65/47/75/645654775.db2.gz ZGFQRUULBXLZAL-CYBMUJFWSA-N -1 0 304.390 2.404 20 10 DECDRM CC(C)CCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911485772 645721048 /nfs/dbraw/zinc/72/10/48/645721048.db2.gz KWTDOEKJWDJWCM-CYBMUJFWSA-N -1 0 323.389 2.257 20 10 DECDRM CCCc1[nH]ccc1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911490355 645722559 /nfs/dbraw/zinc/72/25/59/645722559.db2.gz YSEOOVGDHHEQCK-UHFFFAOYSA-N -1 0 316.357 2.400 20 10 DECDRM C[C@@H](Cc1ccco1)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911494650 645723255 /nfs/dbraw/zinc/72/32/55/645723255.db2.gz VRRNDCDJXCYFLD-LBPRGKRZSA-N -1 0 317.341 2.277 20 10 DECDRM NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000808089548 646029757 /nfs/dbraw/zinc/02/97/57/646029757.db2.gz TZHMQKDAKLYCHU-UHFFFAOYSA-N -1 0 313.144 2.200 20 10 DECDRM COC(=O)[C@H](CC(F)F)NCc1cc(Cl)c(F)cc1[O-] ZINC000816590332 647156376 /nfs/dbraw/zinc/15/63/76/647156376.db2.gz XIPCVRHFIJBLHC-VIFPVBQESA-N -1 0 311.687 2.471 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(F)c1F ZINC000730729917 647387439 /nfs/dbraw/zinc/38/74/39/647387439.db2.gz QTPABQKSTPVFMT-XFXZXTDPSA-N -1 0 300.264 2.426 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000818625682 647491814 /nfs/dbraw/zinc/49/18/14/647491814.db2.gz PXGIMXLCAGJWEV-UHFFFAOYSA-N -1 0 321.421 2.361 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1)c1cnn(-c2ccccc2)c1 ZINC000182420252 648905877 /nfs/dbraw/zinc/90/58/77/648905877.db2.gz GLIZTLVOYQOMHB-UHFFFAOYSA-N -1 0 315.354 2.379 20 10 DECDRM Cc1nc(CN(C)Cc2cccc(Br)c2[O-])no1 ZINC000827891631 649100654 /nfs/dbraw/zinc/10/06/54/649100654.db2.gz MMXWRFLVSAETHB-UHFFFAOYSA-N -1 0 312.167 2.478 20 10 DECDRM Cc1cc(CN2CCO[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846272553 651319464 /nfs/dbraw/zinc/31/94/64/651319464.db2.gz PYBLMNRVXZUVMH-KRWDZBQOSA-N -1 0 318.417 2.271 20 10 DECDRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC000851650639 652198473 /nfs/dbraw/zinc/19/84/73/652198473.db2.gz IYDFLCSTLLWORR-LBPRGKRZSA-N -1 0 319.405 2.368 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000852943749 652482035 /nfs/dbraw/zinc/48/20/35/652482035.db2.gz YHEFGKBSDAIUTJ-MEBBXXQBSA-N -1 0 321.373 2.469 20 10 DECDRM CN(C)c1ccc(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000854232797 652662662 /nfs/dbraw/zinc/66/26/62/652662662.db2.gz ULFYZRBPZOZGPX-HNNXBMFYSA-N -1 0 319.405 2.053 20 10 DECDRM [O-]c1c(CN2CCN(Cc3cccnc3)CC2)ccc(F)c1F ZINC000877170037 690036226 /nfs/dbraw/zinc/03/62/26/690036226.db2.gz YWCVMDUXFBGFEE-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM CO[C@H](C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-])C1CC1 ZINC001334842753 1150346730 /nfs/dbraw/zinc/34/67/30/1150346730.db2.gz ZUOMLRGKMWVABZ-CHWSQXEVSA-N -1 0 315.316 2.028 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN2CC(F)(F)C[C@H]2C1 ZINC001139686014 778708577 /nfs/dbraw/zinc/70/85/77/778708577.db2.gz JSZQSHNPTGMISU-VIFPVBQESA-N -1 0 304.287 2.196 20 10 DECDRM COC(=O)[C@@H]1CCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144298832 790848291 /nfs/dbraw/zinc/84/82/91/790848291.db2.gz KMFIRPDVHKRQLR-JTQLQIEISA-N -1 0 318.142 2.041 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(=O)[O-])c(F)c1 ZINC001175157564 794140698 /nfs/dbraw/zinc/14/06/98/794140698.db2.gz IKQSGSVMXTUPGG-UHFFFAOYSA-N -1 0 324.333 2.204 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(C(=O)[O-])c1 ZINC001175330821 794183492 /nfs/dbraw/zinc/18/34/92/794183492.db2.gz CZMWOOAQQYOLQN-UHFFFAOYSA-N -1 0 306.343 2.065 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001118221672 795166777 /nfs/dbraw/zinc/16/67/77/795166777.db2.gz HFFQAHKSVCUFMJ-SKKUGFDVSA-N -1 0 318.329 2.044 20 10 DECDRM Cc1cc(CC(=O)NC[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001118640769 795208480 /nfs/dbraw/zinc/20/84/80/795208480.db2.gz QSYMHDWGXYCREP-GFCCVEGCSA-N -1 0 314.385 2.474 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@H](F)C(=O)C1 ZINC001139126881 796328262 /nfs/dbraw/zinc/32/82/62/796328262.db2.gz SWKBOSWUPXLBMM-ZDUSSCGKSA-N -1 0 319.332 2.310 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1ccncn1 ZINC001139130242 796328932 /nfs/dbraw/zinc/32/89/32/796328932.db2.gz VLYUFURQDMRVKY-UHFFFAOYSA-N -1 0 311.341 2.229 20 10 DECDRM CNC(=O)NC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840974483 796710752 /nfs/dbraw/zinc/71/07/52/796710752.db2.gz JJIQGRDDMLCNAP-UHFFFAOYSA-N -1 0 315.776 2.078 20 10 DECDRM COC(=O)c1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1 ZINC001193589730 797589014 /nfs/dbraw/zinc/58/90/14/797589014.db2.gz PAFPROAMSXUEMN-UHFFFAOYSA-N -1 0 322.704 2.185 20 10 DECDRM COC(=O)c1cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1C ZINC001193606025 797601973 /nfs/dbraw/zinc/60/19/73/797601973.db2.gz RIMZDHMIXYEMTQ-UHFFFAOYSA-N -1 0 324.720 2.129 20 10 DECDRM O=C(NCc1c(O)cccc1O)c1ccc2oc(=S)[n-]c2c1 ZINC001156885477 798100643 /nfs/dbraw/zinc/10/06/43/798100643.db2.gz GKTSJSUGGHVRSQ-UHFFFAOYSA-N -1 0 316.338 2.458 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2ccc(O)cc2O)cc1 ZINC001197131732 798146725 /nfs/dbraw/zinc/14/67/25/798146725.db2.gz RBRKVRHVBNNMOK-UHFFFAOYSA-N -1 0 318.354 2.283 20 10 DECDRM CNC(=S)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001200610668 798663027 /nfs/dbraw/zinc/66/30/27/798663027.db2.gz PTVLURUVSARFGE-UHFFFAOYSA-N -1 0 312.350 2.084 20 10 DECDRM C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cncc1F ZINC001161298887 798822354 /nfs/dbraw/zinc/82/23/54/798822354.db2.gz GDTMRWJPQNTMGK-LURJTMIESA-N -1 0 312.247 2.401 20 10 DECDRM NC(=O)c1cc(NCc2cc(Cl)cc(Cl)c2[O-])ncn1 ZINC001163433612 799342753 /nfs/dbraw/zinc/34/27/53/799342753.db2.gz ZMOAZOSCHQZYRS-UHFFFAOYSA-N -1 0 313.144 2.200 20 10 DECDRM CCOC(=O)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231565363 801687661 /nfs/dbraw/zinc/68/76/61/801687661.db2.gz UPTMVRWETFMTMD-CYBMUJFWSA-N -1 0 307.346 2.008 20 10 DECDRM COC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(C(F)(F)F)cc1O ZINC001233452275 802121463 /nfs/dbraw/zinc/12/14/63/802121463.db2.gz QEDRCSVFPMFCJU-QWRGUYRKSA-N -1 0 321.270 2.496 20 10 DECDRM O=C([O-])c1cc(NC(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001594768103 953540320 /nfs/dbraw/zinc/54/03/20/953540320.db2.gz XSAVQWMVOVIMLE-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001593708850 954167176 /nfs/dbraw/zinc/16/71/76/954167176.db2.gz HDOANGWFRDBFNM-BQYQJAHWSA-N -1 0 314.341 2.373 20 10 DECDRM Cc1cc(CC(=O)N[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001333945816 957787707 /nfs/dbraw/zinc/78/77/07/957787707.db2.gz RMXVIOUAMIMEHW-LBPRGKRZSA-N -1 0 300.358 2.226 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594312284 958047177 /nfs/dbraw/zinc/04/71/77/958047177.db2.gz ZPUGWRJPZCJTNF-DAXOMENPSA-N -1 0 318.417 2.219 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001594105362 958462286 /nfs/dbraw/zinc/46/22/86/958462286.db2.gz JSPNRATVYSVNAU-OUAUKWLOSA-N -1 0 307.346 2.079 20 10 DECDRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001588652570 959779110 /nfs/dbraw/zinc/77/91/10/959779110.db2.gz KICCEKSAANHJAJ-ALCCZGGFSA-N -1 0 307.346 2.070 20 10 DECDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001588653916 960405540 /nfs/dbraw/zinc/40/55/40/960405540.db2.gz HEMJVUIIYHPGNL-UHFFFAOYSA-N -1 0 320.349 2.422 20 10 DECDRM O=C([O-])c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001605806618 972518728 /nfs/dbraw/zinc/51/87/28/972518728.db2.gz JGQSGANEUHBQLG-UHFFFAOYSA-N -1 0 306.705 2.069 20 10 DECDRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1[C@@H]3C(=O)CC[C@H]13)CCCC2 ZINC001606460776 973917670 /nfs/dbraw/zinc/91/76/70/973917670.db2.gz WGJNFSNVOVYEQK-KPXOXKRLSA-N -1 0 319.382 2.489 20 10 DECDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC001592882404 979751770 /nfs/dbraw/zinc/75/17/70/979751770.db2.gz DMGWFBWDMAHEDG-MRVPVSSYSA-N -1 0 321.354 2.219 20 10 DECDRM CC[C@@H](C)N(CCO)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594983787 982788799 /nfs/dbraw/zinc/78/87/99/982788799.db2.gz NYSHTWAMZAWZEG-OKPNEXGHSA-N -1 0 308.334 2.290 20 10 DECDRM CCc1oc(C(=O)[O-])cc1COc1cccc(F)c1C(N)=O ZINC001597772067 989233438 /nfs/dbraw/zinc/23/34/38/989233438.db2.gz BVQTXOIXKARGGV-UHFFFAOYSA-N -1 0 307.277 2.357 20 10 DECDRM COc1ccccc1NC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599715322 991444750 /nfs/dbraw/zinc/44/47/50/991444750.db2.gz DSGRGZBZMQPDLV-CYBMUJFWSA-N -1 0 317.341 2.245 20 10 DECDRM COc1ccc2c(c1)c1c(n2CC(=O)OCC(=O)[O-])CCCC1 ZINC001599631689 994228271 /nfs/dbraw/zinc/22/82/71/994228271.db2.gz GUDMDGWSXUJTNS-UHFFFAOYSA-N -1 0 317.341 2.157 20 10 DECDRM COc1cc(Cl)cc(CN2CC[C@](F)(C(=O)[O-])C2)c1O ZINC001599420398 997584405 /nfs/dbraw/zinc/58/44/05/997584405.db2.gz GMFVYHUDJKGBLN-CYBMUJFWSA-N -1 0 303.717 2.053 20 10 DECDRM COc1cc(O)c(CNc2cccc(CC(=O)[O-])n2)cc1OC ZINC001599445257 997998184 /nfs/dbraw/zinc/99/81/84/997998184.db2.gz BYXGXUXYWFISPG-UHFFFAOYSA-N -1 0 318.329 2.044 20 10 DECDRM COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)cc(C(=O)[O-])c1 ZINC001598946677 998070502 /nfs/dbraw/zinc/07/05/02/998070502.db2.gz URGPAEXEMMUIFI-UHFFFAOYSA-N -1 0 321.310 2.191 20 10 DECDRM O=C([O-])c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC001602654937 1069713788 /nfs/dbraw/zinc/71/37/88/1069713788.db2.gz IZIMBNLJCVWASG-FLIBITNWSA-N -1 0 306.343 2.434 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(=O)[O-])co1 ZINC001605531196 1070750015 /nfs/dbraw/zinc/75/00/15/1070750015.db2.gz VMCKBQGPZNOGMY-UHFFFAOYSA-N -1 0 310.302 2.099 20 10 DECDRM COCc1noc([C@@H](C)Sc2ncc(C(=O)[O-])s2)n1 ZINC001606981694 1071266100 /nfs/dbraw/zinc/26/61/00/1071266100.db2.gz SBRYMOQKWKZBHT-RXMQYKEDSA-N -1 0 301.349 2.224 20 10 DECDRM O=C(Cc1c[nH]cn1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001450725358 1056466357 /nfs/dbraw/zinc/46/63/57/1056466357.db2.gz YRXJLVTUUCJSLE-UHFFFAOYSA-N -1 0 300.145 2.281 20 10 DECDRM Cc1cc(CNC(=O)c2cc(=O)n(C)[n-]2)c(C)n1-c1ccccc1 ZINC001454622056 1057539305 /nfs/dbraw/zinc/53/93/05/1057539305.db2.gz BVGBFVSZBMCHQV-UHFFFAOYSA-N -1 0 324.384 2.463 20 10 DECDRM O=C([O-])C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCOC1 ZINC001610758127 1078072439 /nfs/dbraw/zinc/07/24/39/1078072439.db2.gz KIEQGWXXANCWTE-AWEZNQCLSA-N -1 0 317.744 2.298 20 10 DECDRM C/C(=C\C(=O)N1CCc2c1cccc2C(=O)[O-])c1cnccn1 ZINC001573386779 1068988560 /nfs/dbraw/zinc/98/85/60/1068988560.db2.gz YBYPXDXFSTYXIO-PKNBQFBNSA-N -1 0 309.325 2.167 20 10 DECDRM Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cnn1CC(=O)[O-] ZINC001600053250 1077130384 /nfs/dbraw/zinc/13/03/84/1077130384.db2.gz VWJLJPQOCNIECE-PLNGDYQASA-N -1 0 314.389 2.467 20 10 DECDRM O=C([O-])CC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC001601917875 1077475772 /nfs/dbraw/zinc/47/57/72/1077475772.db2.gz GGGBSEGCGFXEAQ-UHFFFAOYSA-N -1 0 306.362 2.227 20 10 DECDRM O=C([O-])C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC001602057888 1077501910 /nfs/dbraw/zinc/50/19/10/1077501910.db2.gz ZXALFZREJIWOSA-UHFFFAOYSA-N -1 0 317.744 2.250 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC001608238407 1077614501 /nfs/dbraw/zinc/61/45/01/1077614501.db2.gz SCIQYVLHPGAPQF-UHFFFAOYSA-N -1 0 318.333 2.176 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001608660916 1077672334 /nfs/dbraw/zinc/67/23/34/1077672334.db2.gz GMOJPZVDFQFZFA-NSRYLSIASA-N -1 0 304.302 2.062 20 10 DECDRM O=C([O-])Cc1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001608777596 1077693867 /nfs/dbraw/zinc/69/38/67/1077693867.db2.gz KKUISPCZRXCXMS-UHFFFAOYSA-N -1 0 314.297 2.448 20 10 DECDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001609639888 1077892847 /nfs/dbraw/zinc/89/28/47/1077892847.db2.gz MRHAYESPFZNVLW-HZMBPMFUSA-N -1 0 315.325 2.290 20 10 DECDRM CN(CC(C)(C)CO)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001610112098 1077981893 /nfs/dbraw/zinc/98/18/93/1077981893.db2.gz ZIUASHPBHWTQAJ-FNORWQNLSA-N -1 0 308.334 2.147 20 10 DECDRM O=C(NCc1c(O)cccc1O)c1cc(F)c(F)c([O-])c1F ZINC001652625623 1079888183 /nfs/dbraw/zinc/88/81/83/1079888183.db2.gz IIDJGGVYSBINHV-UHFFFAOYSA-N -1 0 313.231 2.151 20 10 DECDRM [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC001659788438 1080249933 /nfs/dbraw/zinc/24/99/33/1080249933.db2.gz LYVNBNGZNXNMOL-UHFFFAOYSA-N -1 0 317.299 2.140 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1CCO[C@H]2C[C@H]21 ZINC001235067734 1084296249 /nfs/dbraw/zinc/29/62/49/1084296249.db2.gz ZCQCIRXMHBZXBN-MNOVXSKESA-N -1 0 302.143 2.267 20 10 DECDRM COc1ccc(CN2CC[C@@H](O)C(F)(F)C2)c([O-])c1Cl ZINC001236812109 1138437477 /nfs/dbraw/zinc/43/74/77/1138437477.db2.gz RMQNBGRCUKGZMI-SNVBAGLBSA-N -1 0 307.724 2.256 20 10 DECDRM CC(=O)N1CCC2(CN(Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001237124144 1138508924 /nfs/dbraw/zinc/50/89/24/1138508924.db2.gz JYIWYFVUNFANLN-UHFFFAOYSA-N -1 0 312.772 2.239 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001237798807 1138790452 /nfs/dbraw/zinc/79/04/52/1138790452.db2.gz COIZLNYYCBIPIU-FZZIBODNSA-N -1 0 315.772 2.156 20 10 DECDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC001336905706 1142625724 /nfs/dbraw/zinc/62/57/24/1142625724.db2.gz HORNXNATMKNSLM-KRWDZBQOSA-N -1 0 319.405 2.098 20 10 DECDRM CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001339714409 1143085530 /nfs/dbraw/zinc/08/55/30/1143085530.db2.gz CDBBFHQCKYCUMH-RYUDHWBXSA-N -1 0 307.394 2.224 20 10 DECDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001260296972 1144184487 /nfs/dbraw/zinc/18/44/87/1144184487.db2.gz MFBXTKYXCDXGNH-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM Cc1c(O)cccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260440943 1144187284 /nfs/dbraw/zinc/18/72/84/1144187284.db2.gz ATMCYXUJEALNKZ-UHFFFAOYSA-N -1 0 305.315 2.038 20 10 DECDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)cc1O ZINC001260643483 1144193638 /nfs/dbraw/zinc/19/36/38/1144193638.db2.gz OSLFCEQVLPHLLB-UHFFFAOYSA-N -1 0 313.306 2.046 20 10 DECDRM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](C)S1(=O)=O ZINC000289789184 403998371 /nfs/dbraw/zinc/99/83/71/403998371.db2.gz LUWZVOXTLQLYJV-PWSUYJOCSA-N -1 0 317.838 2.443 20 10 DECDRM C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)S1(=O)=O ZINC000290765589 404302604 /nfs/dbraw/zinc/30/26/04/404302604.db2.gz BTUKOSFGTUSNTL-UWVGGRQHSA-N -1 0 303.811 2.053 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)NCCC(=O)[O-])cc1 ZINC000818197443 597226416 /nfs/dbraw/zinc/22/64/16/597226416.db2.gz VXUAJIDSJSCSIM-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+]CCCC(=O)[O-])c1 ZINC000820949315 597708120 /nfs/dbraw/zinc/70/81/20/597708120.db2.gz NVNYVGKSWCZNFS-UHFFFAOYSA-N -1 0 302.168 2.418 20 10 DECDRM CN(Cc1ncc[nH]1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737496939 600545292 /nfs/dbraw/zinc/54/52/92/600545292.db2.gz SEVYVILMBOWEIA-HYXAFXHYSA-N -1 0 302.290 2.052 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832425334 601210741 /nfs/dbraw/zinc/21/07/41/601210741.db2.gz UXHSPAGUVXKKHP-SRVKXCTJSA-N -1 0 321.373 2.469 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738043499 603141385 /nfs/dbraw/zinc/14/13/85/603141385.db2.gz BGHIIVIIVOZAQI-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM C[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(=O)[O-] ZINC000824664386 603421944 /nfs/dbraw/zinc/42/19/44/603421944.db2.gz KLYACEXBNNAJKS-CYBMUJFWSA-N -1 0 319.405 2.339 20 10 DECDRM CCC1(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1 ZINC000826640295 603451021 /nfs/dbraw/zinc/45/10/21/603451021.db2.gz UIXUFEHIVWVVCJ-CQSZACIVSA-N -1 0 319.405 2.368 20 10 DECDRM C[C@H]1COCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000399275973 604465134 /nfs/dbraw/zinc/46/51/34/604465134.db2.gz RUXWFSDHLWGQPR-JOAKQRRISA-N -1 0 306.318 2.165 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C2=CCCC2)NC(=O)[O-])cc1 ZINC000828054947 604508005 /nfs/dbraw/zinc/50/80/05/604508005.db2.gz ALGOAYYOBDAFRD-OAHLLOKOSA-N -1 0 317.389 2.288 20 10 DECDRM CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000828399794 605789819 /nfs/dbraw/zinc/78/98/19/605789819.db2.gz GUHHIJXAJMQCBH-OAHLLOKOSA-N -1 0 314.341 2.360 20 10 DECDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2)c(F)c1 ZINC000182412687 625257380 /nfs/dbraw/zinc/25/73/80/625257380.db2.gz NRFJYSUIYOQZQD-UHFFFAOYSA-N -1 0 310.281 2.343 20 10 DECDRM Cn1cnc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1Cl ZINC000182493304 625262298 /nfs/dbraw/zinc/26/22/98/625262298.db2.gz VESOOQYHDRWUBF-UHFFFAOYSA-N -1 0 322.173 2.233 20 10 DECDRM O=C1NCCN(Cc2cc(F)cc(F)c2[O-])[C@H]1c1cccs1 ZINC000894050388 636099355 /nfs/dbraw/zinc/09/93/55/636099355.db2.gz SMDGWFZQRIJQFN-ZDUSSCGKSA-N -1 0 324.352 2.405 20 10 DECDRM Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C(=O)[O-])c(C)n1-c1ccccn1 ZINC000923138662 636991706 /nfs/dbraw/zinc/99/17/06/636991706.db2.gz AHURRVGPZSZWTQ-GXTWGEPZSA-N -1 0 313.357 2.082 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCO[C@]2(CCSC2)C1 ZINC000895075754 637501741 /nfs/dbraw/zinc/50/17/41/637501741.db2.gz GRMPUUWUVPCLPR-CQSZACIVSA-N -1 0 301.358 2.378 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000895134215 637642812 /nfs/dbraw/zinc/64/28/12/637642812.db2.gz ARCKDJMTBRQPAG-UHFFFAOYSA-N -1 0 320.343 2.230 20 10 DECDRM CC[C@H](NCc1nnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000787036729 641010797 /nfs/dbraw/zinc/01/07/97/641010797.db2.gz DUUFIKVNRSXKSB-VIFPVBQESA-N -1 0 316.192 2.463 20 10 DECDRM O=C1OCC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN12 ZINC000775743298 642087937 /nfs/dbraw/zinc/08/79/37/642087937.db2.gz DYVRFAWADRSUKZ-LLVKDONJSA-N -1 0 314.744 2.211 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000790411235 643849311 /nfs/dbraw/zinc/84/93/11/643849311.db2.gz HMIBDBXRXNJRHL-UHFFFAOYSA-N -1 0 312.322 2.126 20 10 DECDRM COC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792178371 644085182 /nfs/dbraw/zinc/08/51/82/644085182.db2.gz DGPUVFAIUZNUET-NXEZZACHSA-N -1 0 303.761 2.420 20 10 DECDRM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1nnnn1C1CC1 ZINC000792197469 644088513 /nfs/dbraw/zinc/08/85/13/644088513.db2.gz XGMOQUDXHLJMGY-SSDOTTSWSA-N -1 0 311.748 2.357 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000798162148 644974725 /nfs/dbraw/zinc/97/47/25/644974725.db2.gz MRVRTAGPVBRATJ-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM CC1(C)CS(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000843408505 650968057 /nfs/dbraw/zinc/96/80/57/650968057.db2.gz GFLZEQJSVJDSAT-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM COc1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c(O)c1 ZINC000911717150 645791829 /nfs/dbraw/zinc/79/18/29/645791829.db2.gz GEDYJJJKRLIXBV-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM COc1cc(CCO)ccc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000809654366 646258732 /nfs/dbraw/zinc/25/87/32/646258732.db2.gz AUVJSUDQZNDMAN-UHFFFAOYSA-N -1 0 318.329 2.456 20 10 DECDRM COC(=O)c1n[nH]c2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC000825016930 648686604 /nfs/dbraw/zinc/68/66/04/648686604.db2.gz JPIUKYHCXLLNQU-UHFFFAOYSA-N -1 0 321.764 2.114 20 10 DECDRM CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CCC1=O ZINC000827359423 649022425 /nfs/dbraw/zinc/02/24/25/649022425.db2.gz NSWFYGKPIYSQPP-UHFFFAOYSA-N -1 0 303.189 2.363 20 10 DECDRM COC[C@@]1(C(=O)OC)CCCN1Cc1cccc(Cl)c1[O-] ZINC000827487925 649041861 /nfs/dbraw/zinc/04/18/61/649041861.db2.gz AFXZWOJWRMHAIE-OAHLLOKOSA-N -1 0 313.781 2.200 20 10 DECDRM COc1ccc(N2CCC(Nc3nc(C(=O)[O-])co3)CC2)cc1 ZINC000844209857 651092911 /nfs/dbraw/zinc/09/29/11/651092911.db2.gz YBNPERRZLVXTHV-UHFFFAOYSA-N -1 0 317.345 2.462 20 10 DECDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852942725 652481838 /nfs/dbraw/zinc/48/18/38/652481838.db2.gz MFSCAGHMKQHKGB-GOSISDBHSA-N -1 0 317.385 2.388 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000852943655 652482292 /nfs/dbraw/zinc/48/22/92/652482292.db2.gz XBKMIECNPYFZGV-AWEZNQCLSA-N -1 0 306.406 2.458 20 10 DECDRM Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000013463993 683846552 /nfs/dbraw/zinc/84/65/52/683846552.db2.gz IMDSWVAILCNAFW-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cn1c2ccc(NCc3ccc(F)c(F)c3[O-])cc2n(C)c1=O ZINC000864022750 686603149 /nfs/dbraw/zinc/60/31/49/686603149.db2.gz QRPXJSDODAJRID-UHFFFAOYSA-N -1 0 319.311 2.473 20 10 DECDRM O=C(CCc1cn[nH]n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000868357539 687988408 /nfs/dbraw/zinc/98/84/08/687988408.db2.gz ACAMGRHCTVGBJM-UHFFFAOYSA-N -1 0 315.160 2.066 20 10 DECDRM CC[C@@H](NC(C)=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000868357027 687988778 /nfs/dbraw/zinc/98/87/78/687988778.db2.gz LRCUWDNAASDOHA-LLVKDONJSA-N -1 0 319.188 2.230 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)N(C)[C@H](C)C(C)C)cc1 ZINC000872945030 689126098 /nfs/dbraw/zinc/12/60/98/689126098.db2.gz JFKQHPPSGCZJSR-CYBMUJFWSA-N -1 0 322.405 2.089 20 10 DECDRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)[O-] ZINC000874405563 689403949 /nfs/dbraw/zinc/40/39/49/689403949.db2.gz QUOXAQPZMIPJCL-NEPJUHHUSA-N -1 0 308.378 2.499 20 10 DECDRM CN(CC(=O)NCc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876543275 689851938 /nfs/dbraw/zinc/85/19/38/689851938.db2.gz JHITYBFYVYRHEE-UHFFFAOYSA-N -1 0 310.300 2.012 20 10 DECDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1CC ZINC000882717875 691346977 /nfs/dbraw/zinc/34/69/77/691346977.db2.gz NAHQUJSEWANRAY-UHFFFAOYSA-N -1 0 309.391 2.051 20 10 DECDRM C[C@@](CO)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC(=O)[O-] ZINC001331997871 1149805201 /nfs/dbraw/zinc/80/52/01/1149805201.db2.gz HODRYMDCHHJVLF-ZDUSSCGKSA-N -1 0 322.188 2.262 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OC ZINC000398727788 790290056 /nfs/dbraw/zinc/29/00/56/790290056.db2.gz FSWZSZZDYXXHIF-VHSXEESVSA-N -1 0 324.333 2.159 20 10 DECDRM CCOC(=O)CN(C)Cc1cc(Br)c(F)cc1[O-] ZINC001144293819 790843973 /nfs/dbraw/zinc/84/39/73/790843973.db2.gz TXIFCCJLZQZPHQ-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM Oc1ccc(CNc2nc[n-]c3nc(=S)sc2-3)cc1O ZINC001158997955 788621670 /nfs/dbraw/zinc/62/16/70/788621670.db2.gz WQIOWNOTXLYTGN-UHFFFAOYSA-N -1 0 306.372 2.398 20 10 DECDRM O=C([O-])C[C@@H]1COCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001120002077 795386601 /nfs/dbraw/zinc/38/66/01/795386601.db2.gz QKPYVPZBCXEJGH-KCJUWKMLSA-N -1 0 317.744 2.154 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC(=O)[C@H](F)C1 ZINC001139126536 796328254 /nfs/dbraw/zinc/32/82/54/796328254.db2.gz JARPVUVUZFLBIR-CYBMUJFWSA-N -1 0 319.332 2.310 20 10 DECDRM OC[C@@H]1CCn2nccc2CN1Cc1ccc(Cl)cc1O ZINC001140464107 796525843 /nfs/dbraw/zinc/52/58/43/796525843.db2.gz BRWXNVGSXUWSJI-AWEZNQCLSA-N -1 0 307.781 2.009 20 10 DECDRM Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[O-] ZINC001141505805 796673898 /nfs/dbraw/zinc/67/38/98/796673898.db2.gz BWBSDJPSBBAIAY-UHFFFAOYSA-N -1 0 314.389 2.295 20 10 DECDRM O=C(Nc1cnc2c(c1)COCC2)c1cc(O)c([O-])c(Cl)c1 ZINC001193589741 797589305 /nfs/dbraw/zinc/58/93/05/797589305.db2.gz PCPZGKWUKYSLLY-UHFFFAOYSA-N -1 0 320.732 2.471 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCc2cnccc2C1 ZINC001193589062 797589555 /nfs/dbraw/zinc/58/95/55/797589555.db2.gz AXTFPRXFJXZFSQ-UHFFFAOYSA-N -1 0 304.733 2.345 20 10 DECDRM O=C(NCc1cn(CC2CC2)cn1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634428 797597357 /nfs/dbraw/zinc/59/73/57/797597357.db2.gz WDIKLZYPARUAOY-UHFFFAOYSA-N -1 0 321.764 2.288 20 10 DECDRM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195791390 797962416 /nfs/dbraw/zinc/96/24/16/797962416.db2.gz JWDQQWPDPDCJET-UHFFFAOYSA-N -1 0 320.414 2.279 20 10 DECDRM NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203579873 800084660 /nfs/dbraw/zinc/08/46/60/800084660.db2.gz GVVRMMGLDNTDIR-WPRPVWTQSA-N -1 0 307.152 2.097 20 10 DECDRM O=S(=O)([O-])c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728644 801265313 /nfs/dbraw/zinc/26/53/13/801265313.db2.gz UMTAEQGUYTZUTM-UHFFFAOYSA-N -1 0 306.343 2.481 20 10 DECDRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccn3)C2)c(O)c1 ZINC001231452164 801668777 /nfs/dbraw/zinc/66/87/77/801668777.db2.gz CDOAUYPROPXWLN-INIZCTEOSA-N -1 0 314.341 2.059 20 10 DECDRM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cccc(Cl)c1[O-] ZINC001231911422 801749122 /nfs/dbraw/zinc/74/91/22/801749122.db2.gz DZKLZPTUAKOYSH-CYBMUJFWSA-N -1 0 311.765 2.142 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CC[C@@](F)(CO)C1 ZINC001233027803 802007252 /nfs/dbraw/zinc/00/72/52/802007252.db2.gz ZVXBVIOUNAISAX-LBPRGKRZSA-N -1 0 322.149 2.200 20 10 DECDRM Cc1cc(CC(=O)NCC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001600187549 970775904 /nfs/dbraw/zinc/77/59/04/970775904.db2.gz NSYYQXZIUQYUKQ-UHFFFAOYSA-N -1 0 320.776 2.491 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593760644 954484691 /nfs/dbraw/zinc/48/46/91/954484691.db2.gz RSQPVLZHURPCFE-INIZCTEOSA-N -1 0 316.401 2.356 20 10 DECDRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(N(C)C)cc1 ZINC001589118029 956107220 /nfs/dbraw/zinc/10/72/20/956107220.db2.gz UWKNSWBHMVRTDY-LLVKDONJSA-N -1 0 313.357 2.337 20 10 DECDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc2cccnc2c1O ZINC001589217703 956738028 /nfs/dbraw/zinc/73/80/28/956738028.db2.gz OBCGBROLCGDPLZ-KRWDZBQOSA-N -1 0 314.341 2.058 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574334262 960906383 /nfs/dbraw/zinc/90/63/83/960906383.db2.gz ZPUGWRJPZCJTNF-VBNZEHGJSA-N -1 0 318.417 2.219 20 10 DECDRM COc1cccc(CNc2cnn(C(C)(C)C(=O)[O-])c2)c1O ZINC001604866597 974114016 /nfs/dbraw/zinc/11/40/16/974114016.db2.gz GUVVUHYNERHMOP-UHFFFAOYSA-N -1 0 305.334 2.029 20 10 DECDRM C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1ccc(N(C)C)cc1 ZINC001592998913 980209836 /nfs/dbraw/zinc/20/98/36/980209836.db2.gz PUATUUMYBLJENO-LBWKMTJJSA-N -1 0 302.374 2.185 20 10 DECDRM COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001599584187 993590897 /nfs/dbraw/zinc/59/08/97/993590897.db2.gz NEROHRFVCQBYHF-UHFFFAOYSA-N -1 0 314.341 2.468 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)N1CCCCC1 ZINC001593678976 996096878 /nfs/dbraw/zinc/09/68/78/996096878.db2.gz CNLKZIYCVWUWHP-QMMMGPOBSA-N -1 0 300.405 2.334 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)NC1CCCC1 ZINC001593679674 996102814 /nfs/dbraw/zinc/10/28/14/996102814.db2.gz OPJBQWVWHPFGDS-ZETCQYMHSA-N -1 0 300.405 2.381 20 10 DECDRM COC(=O)COc1ccc(N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC001598866757 996711000 /nfs/dbraw/zinc/71/10/00/996711000.db2.gz POYKWLBDABAZEJ-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM COC(=O)c1cc(OCC2(CC(=O)[O-])CC2)ccc1N(C)C ZINC001598949304 998117663 /nfs/dbraw/zinc/11/76/63/998117663.db2.gz AMIDRWRQSALHHN-UHFFFAOYSA-N -1 0 307.346 2.173 20 10 DECDRM O=C([O-])c1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC001602316114 1069601341 /nfs/dbraw/zinc/60/13/41/1069601341.db2.gz LDGJCLOVAQKLII-UHFFFAOYSA-N -1 0 306.295 2.192 20 10 DECDRM C/C(=C/C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001602951217 1069797154 /nfs/dbraw/zinc/79/71/54/1069797154.db2.gz INDQOPWGTCUWIX-ZWXCPPHNSA-N -1 0 309.325 2.095 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001604811721 1070503758 /nfs/dbraw/zinc/50/37/58/1070503758.db2.gz KBIKICTURAJZOT-FEDKEEKNSA-N -1 0 320.345 2.147 20 10 DECDRM COc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)nc1 ZINC001607251596 1071383360 /nfs/dbraw/zinc/38/33/60/1071383360.db2.gz KQDMLLDQTAFWSE-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM CC(C)C1(O)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001621379674 1078173550 /nfs/dbraw/zinc/17/35/50/1078173550.db2.gz BTURVSMALCDETR-UHFFFAOYSA-N -1 0 318.186 2.497 20 10 DECDRM C[S@@](=N)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001570259982 1065994326 /nfs/dbraw/zinc/99/43/26/1065994326.db2.gz LGFDUXRNPWLYCT-OAQYLSRUSA-N -1 0 306.343 2.386 20 10 DECDRM Cc1cc(C(=O)NCc2ccc(O)cc2O)ccc1C(=O)[O-] ZINC001574678714 1069245850 /nfs/dbraw/zinc/24/58/50/1069245850.db2.gz NQRJDIVMZKJUFR-UHFFFAOYSA-N -1 0 301.298 2.034 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001600236031 1077166733 /nfs/dbraw/zinc/16/67/33/1077166733.db2.gz GSMCQFHZCIMTBB-UHFFFAOYSA-N -1 0 313.357 2.084 20 10 DECDRM Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(O)c1O ZINC001600364734 1077187258 /nfs/dbraw/zinc/18/72/58/1077187258.db2.gz BSKZJERYQVJIGM-UHFFFAOYSA-N -1 0 302.282 2.461 20 10 DECDRM Cc1ccc(/C=C/C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001600397705 1077193723 /nfs/dbraw/zinc/19/37/23/1077193723.db2.gz JUOAXFWJWYZLQG-FDMDGMSGSA-N -1 0 324.336 2.282 20 10 DECDRM Cc1csc(=O)n1CCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001600645862 1077240867 /nfs/dbraw/zinc/24/08/67/1077240867.db2.gz LETPHVUDFGZDMD-UHFFFAOYSA-N -1 0 322.386 2.061 20 10 DECDRM Cn1c2ccc(F)cc2c(CNCc2ccon2)c1C(=O)[O-] ZINC001600902613 1077299479 /nfs/dbraw/zinc/29/94/79/1077299479.db2.gz XVPCAYKTDBYPJV-UHFFFAOYSA-N -1 0 303.293 2.293 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001601154944 1077349135 /nfs/dbraw/zinc/34/91/35/1077349135.db2.gz CSEKUTURUGGUKR-LBPRGKRZSA-N -1 0 318.333 2.318 20 10 DECDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)C3=CC(=O)CS3)nc2C1 ZINC001601631641 1077420913 /nfs/dbraw/zinc/42/09/13/1077420913.db2.gz TVMMVTWMBXJDMU-ZCFIWIBFSA-N -1 0 324.383 2.352 20 10 DECDRM O=C([O-])C12CCC(C(=O)NCc3c(O)cccc3O)(CC1)CC2 ZINC001601730050 1077441605 /nfs/dbraw/zinc/44/16/05/1077441605.db2.gz COWLMHYIGCYFCI-UHFFFAOYSA-N -1 0 319.357 2.139 20 10 DECDRM O=C([O-])CCc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001602045077 1077498647 /nfs/dbraw/zinc/49/86/47/1077498647.db2.gz LYALEDOCNPRFPP-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])c1ccccc1CCC(=O)NCc1ccc(O)cc1O ZINC001608318549 1077626626 /nfs/dbraw/zinc/62/66/26/1077626626.db2.gz XAOGDEXLMJYRKB-UHFFFAOYSA-N -1 0 315.325 2.045 20 10 DECDRM O=C([O-])c1cnc(SC[C@H](O)CC2(O)CCCCC2)s1 ZINC001608978593 1077732320 /nfs/dbraw/zinc/73/23/20/1077732320.db2.gz HXMFAEIDVLUFNK-SECBINFHSA-N -1 0 317.432 2.380 20 10 DECDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001609639891 1077892704 /nfs/dbraw/zinc/89/27/04/1077892704.db2.gz MRHAYESPFZNVLW-YGRLFVJLSA-N -1 0 315.325 2.290 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)[O-])no1 ZINC001609978837 1077962438 /nfs/dbraw/zinc/96/24/38/1077962438.db2.gz RWYIZVOPSQVSLA-UHFFFAOYSA-N -1 0 304.302 2.131 20 10 DECDRM CN(Cc1nnsc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001610125980 1077983475 /nfs/dbraw/zinc/98/34/75/1077983475.db2.gz HMFOFSIOKJHDPO-UHFFFAOYSA-N -1 0 313.766 2.291 20 10 DECDRM O=C1NCCN(Cc2cc(F)cc(F)c2[O-])[C@@H]1c1ccccc1 ZINC001657275033 1080169038 /nfs/dbraw/zinc/16/90/38/1080169038.db2.gz ZORVXSFADGNUTE-OAHLLOKOSA-N -1 0 318.323 2.344 20 10 DECDRM C[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)c1ccccc1O ZINC001663669861 1080800397 /nfs/dbraw/zinc/80/03/97/1080800397.db2.gz CKXIQPINNYYGKU-SECBINFHSA-N -1 0 311.334 2.276 20 10 DECDRM [O-]c1c(F)cc(Br)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001235068553 1084295278 /nfs/dbraw/zinc/29/52/78/1084295278.db2.gz KTSVRQQFAAETDS-AOOOYVTPSA-N -1 0 302.143 2.267 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@@](F)(CO)C1 ZINC001235296544 1084376961 /nfs/dbraw/zinc/37/69/61/1084376961.db2.gz KDCSNFPPIMQLJG-LBPRGKRZSA-N -1 0 322.149 2.200 20 10 DECDRM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1c(O)ccc(F)c1Cl ZINC001237124952 1138508863 /nfs/dbraw/zinc/50/88/63/1138508863.db2.gz TUSHKJJMZMMNFY-XCBNKYQSSA-N -1 0 305.708 2.270 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2ccncn2)CC1 ZINC001237804296 1138793520 /nfs/dbraw/zinc/79/35/20/1138793520.db2.gz CMGFWJCLWIXFNW-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@]2(CCOC2)C1 ZINC001237804819 1138794671 /nfs/dbraw/zinc/79/46/71/1138794671.db2.gz HAOQZWMRRZFHFZ-CQSZACIVSA-N -1 0 301.745 2.176 20 10 DECDRM CO[C@@H](C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251436366 1142431623 /nfs/dbraw/zinc/43/16/23/1142431623.db2.gz CVESGNHQZFDYAX-LURJTMIESA-N -1 0 314.190 2.012 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC001259177749 1144072292 /nfs/dbraw/zinc/07/22/92/1144072292.db2.gz RQYCVVSAACATEU-UHFFFAOYSA-N -1 0 321.354 2.404 20 10 DECDRM C[C@@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000016905199 182063506 /nfs/dbraw/zinc/06/35/06/182063506.db2.gz UENOWBMPALYWLF-XAPLUZPNSA-N -1 0 323.395 2.370 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2sc(C)nc2C)ccc1O ZINC000280611260 403018794 /nfs/dbraw/zinc/01/87/94/403018794.db2.gz QIIPTKOXAZEDAW-UHFFFAOYSA-N -1 0 314.388 2.275 20 10 DECDRM CCOC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000529667208 405763370 /nfs/dbraw/zinc/76/33/70/405763370.db2.gz SKZBRJXJXDPCFL-JTQLQIEISA-N -1 0 303.761 2.422 20 10 DECDRM C[C@H]1c2nncn2CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000276779545 300718082 /nfs/dbraw/zinc/71/80/82/300718082.db2.gz JEXAHUGMZDWQCB-QMMMGPOBSA-N -1 0 323.740 2.122 20 10 DECDRM Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000237467620 524115945 /nfs/dbraw/zinc/11/59/45/524115945.db2.gz KGKREUWPOZTIHR-JTQLQIEISA-N -1 0 304.321 2.436 20 10 DECDRM C[C@@H]1[C@H](C)N(Cc2cccc(Cl)c2[O-])CCS1(=O)=O ZINC000180351215 525681880 /nfs/dbraw/zinc/68/18/80/525681880.db2.gz VZFAIWBQNCQUIV-VHSXEESVSA-N -1 0 303.811 2.053 20 10 DECDRM CCN1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000294577044 529041857 /nfs/dbraw/zinc/04/18/57/529041857.db2.gz GTNPHSMEYDQVHZ-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM O=C([O-])CCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000821518650 598167426 /nfs/dbraw/zinc/16/74/26/598167426.db2.gz QBBITEAJWOLYJH-UHFFFAOYSA-N -1 0 320.389 2.325 20 10 DECDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000739548052 600116262 /nfs/dbraw/zinc/11/62/62/600116262.db2.gz PDUKGXZPAASAQD-LSDHHAIUSA-N -1 0 302.374 2.014 20 10 DECDRM Cc1cccc(C[C@H](CNC(=O)C2=CC(=O)CS2)C(=O)[O-])c1 ZINC000738710937 600364533 /nfs/dbraw/zinc/36/45/33/600364533.db2.gz BSOSSBDGRRJFKK-GFCCVEGCSA-N -1 0 319.382 2.435 20 10 DECDRM Cn1cc(/C=C/C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cn1 ZINC000390853348 600858021 /nfs/dbraw/zinc/85/80/21/600858021.db2.gz JLSGFGAQGWHASW-YBJDMEARSA-N -1 0 311.341 2.038 20 10 DECDRM CC[C@H](C)[C@@H](NC(=O)CN(CC)c1ccc(OC)cc1)C(=O)[O-] ZINC000828710107 600991804 /nfs/dbraw/zinc/99/18/04/600991804.db2.gz WBRUWXYFEQSKDP-BLLLJJGKSA-N -1 0 322.405 2.137 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000829687609 601667546 /nfs/dbraw/zinc/66/75/46/601667546.db2.gz NBFMGTAOKLKTKN-UHFFFAOYSA-N -1 0 321.421 2.443 20 10 DECDRM C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCC(=O)[O-] ZINC000827922443 601867901 /nfs/dbraw/zinc/86/79/01/601867901.db2.gz QOPHVQFBOTUQSQ-SSDOTTSWSA-N -1 0 302.421 2.122 20 10 DECDRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827248167 602089631 /nfs/dbraw/zinc/08/96/31/602089631.db2.gz VHCLFPFVASOFFX-GFCCVEGCSA-N -1 0 304.390 2.354 20 10 DECDRM Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)nc1 ZINC000832928039 602299146 /nfs/dbraw/zinc/29/91/46/602299146.db2.gz OFOMKNDFDYHFBV-YRNVUSSQSA-N -1 0 322.411 2.456 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)/C=C\C2CC2)NC(=O)[O-])cc1 ZINC000828063788 603025692 /nfs/dbraw/zinc/02/56/92/603025692.db2.gz IJUFVEQWLJKYIL-WSVPDTOYSA-N -1 0 317.389 2.144 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)NC(=O)[O-])cc1 ZINC000828055254 603032311 /nfs/dbraw/zinc/03/23/11/603032311.db2.gz GMHLOHFXONSCKM-CYBMUJFWSA-N -1 0 307.394 2.224 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000827156297 603566595 /nfs/dbraw/zinc/56/65/95/603566595.db2.gz FIJOZEYGYNOKSA-UHFFFAOYSA-N -1 0 319.405 2.101 20 10 DECDRM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)[O-])CC2)c1O ZINC000823628667 603752127 /nfs/dbraw/zinc/75/21/27/603752127.db2.gz UMQROTOHDISXHJ-UHFFFAOYSA-N -1 0 312.753 2.044 20 10 DECDRM C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC000833630273 604669237 /nfs/dbraw/zinc/66/92/37/604669237.db2.gz QYVSCQKOMVLHCD-SCZZXKLOSA-N -1 0 314.179 2.307 20 10 DECDRM Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)nn1C ZINC000832881690 604673110 /nfs/dbraw/zinc/67/31/10/604673110.db2.gz JWRMOAWPXBRYDO-UHFFFAOYSA-N -1 0 323.780 2.174 20 10 DECDRM COCc1nc(CN(C)c2ccc(OCC(=O)[O-])cc2)cs1 ZINC000833725972 605435718 /nfs/dbraw/zinc/43/57/18/605435718.db2.gz KYNYVGOUXKGNNU-UHFFFAOYSA-N -1 0 322.386 2.389 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826498840 608873255 /nfs/dbraw/zinc/87/32/55/608873255.db2.gz LRPZTKZWSJSXID-UHFFFAOYSA-N -1 0 312.289 2.093 20 10 DECDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000035347159 622671910 /nfs/dbraw/zinc/67/19/10/622671910.db2.gz WEOYCFFFRQJCOQ-UHFFFAOYSA-N -1 0 308.315 2.410 20 10 DECDRM C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000895118378 637590440 /nfs/dbraw/zinc/59/04/40/637590440.db2.gz HNYQYRLVTSPPLL-CIUDSAMLSA-N -1 0 300.761 2.282 20 10 DECDRM CCOCCOC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000838992114 637742444 /nfs/dbraw/zinc/74/24/44/637742444.db2.gz KASKVTUMXQDHQA-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM COCC1=CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000322525092 641181980 /nfs/dbraw/zinc/18/19/80/641181980.db2.gz UWAJEAHTVHAPKQ-HWKANZROSA-N -1 0 318.329 2.476 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000775665823 642075458 /nfs/dbraw/zinc/07/54/58/642075458.db2.gz KRRLLEXMHFLMGX-STQMWFEESA-N -1 0 312.772 2.428 20 10 DECDRM CCC(CC)CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776434451 642172824 /nfs/dbraw/zinc/17/28/24/642172824.db2.gz GHPIFGNBVVOFGC-UHFFFAOYSA-N -1 0 301.364 2.268 20 10 DECDRM CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000780395885 642620129 /nfs/dbraw/zinc/62/01/29/642620129.db2.gz AGVRCZOEWZBQKZ-HNNXBMFYSA-N -1 0 319.405 2.195 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccnn2C2CCC2)ccc1O ZINC000901919237 642823170 /nfs/dbraw/zinc/82/31/70/642823170.db2.gz QEUPTHIXIVXDGC-UHFFFAOYSA-N -1 0 323.374 2.123 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000795355441 644559168 /nfs/dbraw/zinc/55/91/68/644559168.db2.gz YWFPRXTTZIYPFJ-UHFFFAOYSA-N -1 0 308.359 2.295 20 10 DECDRM Cc1cc(N(C)C)ccc1CNc1ncc(C(=O)[O-])c(C)n1 ZINC000910300458 645395485 /nfs/dbraw/zinc/39/54/85/645395485.db2.gz LNDPNGPTNBBSGF-UHFFFAOYSA-N -1 0 300.362 2.470 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccoc2CC(=O)[O-])cc1F ZINC000911299890 645672598 /nfs/dbraw/zinc/67/25/98/645672598.db2.gz CARVCPBCJITMFA-UHFFFAOYSA-N -1 0 320.320 2.042 20 10 DECDRM Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])nnn1C ZINC000807837486 645995550 /nfs/dbraw/zinc/99/55/50/645995550.db2.gz RQDPVRGZEMRNPL-UHFFFAOYSA-N -1 0 315.160 2.066 20 10 DECDRM Cn1ccnc(NCc2cc(Cl)cc(Cl)c2[O-])c1=O ZINC000808090226 646029461 /nfs/dbraw/zinc/02/94/61/646029461.db2.gz URPGHDJPXNIYDK-UHFFFAOYSA-N -1 0 300.145 2.405 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817874709 647369978 /nfs/dbraw/zinc/36/99/78/647369978.db2.gz NUEPEIVIRXZFPW-CABZTGNLSA-N -1 0 309.337 2.277 20 10 DECDRM CC(C)C[C@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)[O-] ZINC000818625367 647491594 /nfs/dbraw/zinc/49/15/94/647491594.db2.gz YVGLRGYVJDCEJE-CYBMUJFWSA-N -1 0 308.378 2.281 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844208753 651092314 /nfs/dbraw/zinc/09/23/14/651092314.db2.gz HAHYBNFRNIKTDY-ANPLFTBSSA-N -1 0 318.329 2.308 20 10 DECDRM C[C@@H]1[C@H](CO)CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210193 651092923 /nfs/dbraw/zinc/09/29/23/651092923.db2.gz RHDPUIZPFGFTPF-QGSKFPASSA-N -1 0 320.345 2.290 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000844210749 651093291 /nfs/dbraw/zinc/09/32/91/651093291.db2.gz GNHZLOXNGRDBAG-FVOPLDGLSA-N -1 0 306.318 2.044 20 10 DECDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000844929561 651184567 /nfs/dbraw/zinc/18/45/67/651184567.db2.gz LAPHIBUCZLLTRB-IOCXFXADSA-N -1 0 322.317 2.080 20 10 DECDRM CCn1cc(CCN(C)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000846279401 651319889 /nfs/dbraw/zinc/31/98/89/651319889.db2.gz CDGJZYGVZVSNSJ-UHFFFAOYSA-N -1 0 303.362 2.045 20 10 DECDRM CC(C)c1noc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000846279879 651320406 /nfs/dbraw/zinc/32/04/06/651320406.db2.gz PCXJSHCACNLVGZ-UHFFFAOYSA-N -1 0 305.334 2.293 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000851705469 652209134 /nfs/dbraw/zinc/20/91/34/652209134.db2.gz MEBMLHVHCKKMPF-WVSCJACDSA-N -1 0 318.329 2.165 20 10 DECDRM C[C@@H](NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043590 693884655 /nfs/dbraw/zinc/88/46/55/693884655.db2.gz JHMONNMNFLCFLW-OSMZGAPFSA-N -1 0 323.368 2.020 20 10 DECDRM CCCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000929044362 693885347 /nfs/dbraw/zinc/88/53/47/693885347.db2.gz LZRPVGAPNNUTND-GFCCVEGCSA-N -1 0 307.394 2.320 20 10 DECDRM NC(=O)NCc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864010087 686603571 /nfs/dbraw/zinc/60/35/71/686603571.db2.gz KXBOYHSVCSHMIL-UHFFFAOYSA-N -1 0 307.300 2.451 20 10 DECDRM CCOC(=O)c1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1C ZINC000871954655 688900887 /nfs/dbraw/zinc/90/08/87/688900887.db2.gz BJIWNEXNWAMKIY-ZCFIWIBFSA-N -1 0 300.236 2.006 20 10 DECDRM COc1ccc2c(c1)CCCN2Cc1cc(C(=O)[O-])nn1C ZINC000874040883 689344315 /nfs/dbraw/zinc/34/43/15/689344315.db2.gz JAWQGNMXAAIVFO-UHFFFAOYSA-N -1 0 301.346 2.080 20 10 DECDRM O=C1NCCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1cccs1 ZINC000876765656 689930358 /nfs/dbraw/zinc/93/03/58/689930358.db2.gz WJENGYPNDNEPFJ-ZDUSSCGKSA-N -1 0 324.352 2.405 20 10 DECDRM CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)c(F)c3[O-])[C@@H]2C1 ZINC000876815482 689945274 /nfs/dbraw/zinc/94/52/74/689945274.db2.gz YQQWESXIXYBGQQ-MRVWCRGKSA-N -1 0 313.344 2.439 20 10 DECDRM CC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000877521884 690139250 /nfs/dbraw/zinc/13/92/50/690139250.db2.gz KCERESQMURLHJA-ONGXEEELSA-N -1 0 319.373 2.068 20 10 DECDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000882715294 691346748 /nfs/dbraw/zinc/34/67/48/691346748.db2.gz VLQDIRVDCUNDPR-UHFFFAOYSA-N -1 0 323.418 2.414 20 10 DECDRM C[C@@]1(C(=O)[O-])C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC001332029981 1149810349 /nfs/dbraw/zinc/81/03/49/1149810349.db2.gz LRUNONVWEDPYHC-RTHLEPHNSA-N -1 0 317.744 2.297 20 10 DECDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1 ZINC001211913669 780399697 /nfs/dbraw/zinc/39/96/97/780399697.db2.gz KBEORYHFEQFROV-UHFFFAOYSA-N -1 0 322.386 2.401 20 10 DECDRM O=C([O-])c1cc(Cl)cnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170316668 786906860 /nfs/dbraw/zinc/90/68/60/786906860.db2.gz XFNNJMVWPLAEDO-UHFFFAOYSA-N -1 0 322.704 2.139 20 10 DECDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC001119287470 795283211 /nfs/dbraw/zinc/28/32/11/795283211.db2.gz HQHLMRYBYKNHGZ-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC12COC2 ZINC001139129231 796328682 /nfs/dbraw/zinc/32/86/82/796328682.db2.gz RGCMUOOGXGXLDP-UHFFFAOYSA-N -1 0 301.342 2.172 20 10 DECDRM COC[C@H]1CN(Cc2c(F)ccc(F)c2[O-])Cc2ncn(C)c21 ZINC001139681823 796410291 /nfs/dbraw/zinc/41/02/91/796410291.db2.gz DRAZHWZIGQJJLK-SNVBAGLBSA-N -1 0 323.343 2.150 20 10 DECDRM O=C(N1CCN(Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001140462578 796525588 /nfs/dbraw/zinc/52/55/88/796525588.db2.gz IPMYZNMHDLPHLQ-UHFFFAOYSA-N -1 0 322.714 2.252 20 10 DECDRM O=C(Nc1[nH]nc2cccnc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193589780 797589329 /nfs/dbraw/zinc/58/93/29/797589329.db2.gz PTKTXLYGHVSTOJ-UHFFFAOYSA-N -1 0 304.693 2.275 20 10 DECDRM O=C(NCCO[C@@H]1CCCCO1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634588 797597853 /nfs/dbraw/zinc/59/78/53/797597853.db2.gz YQSREJJQDNUZDO-GFCCVEGCSA-N -1 0 315.753 2.024 20 10 DECDRM O=C(c1cc(O)c([O-])c(Cl)c1)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001193605143 797602056 /nfs/dbraw/zinc/60/20/56/797602056.db2.gz CDFKNIIBYAWZHC-SFYZADRCSA-N -1 0 303.692 2.478 20 10 DECDRM Nc1cnc(Cl)c(NC(=O)c2cc(O)c([O-])c(Cl)c2)n1 ZINC001193605879 797602131 /nfs/dbraw/zinc/60/21/31/797602131.db2.gz MOXJUAVJOVLIFT-UHFFFAOYSA-N -1 0 315.116 2.029 20 10 DECDRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(O)c1O ZINC001197600072 798215828 /nfs/dbraw/zinc/21/58/28/798215828.db2.gz JBOCFFNBOAZFHJ-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM O=C1c2ccc(OC3CC(O)C3)cc2C(=O)c2ccc([O-])cc21 ZINC001218257899 802161188 /nfs/dbraw/zinc/16/11/88/802161188.db2.gz HYMBKWVTUGNKMH-UHFFFAOYSA-N -1 0 310.305 2.070 20 10 DECDRM COC(=O)[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227937236 803296959 /nfs/dbraw/zinc/29/69/59/803296959.db2.gz GMKXKKLQNYHDNQ-SNVBAGLBSA-N -1 0 316.309 2.269 20 10 DECDRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000322527035 951031091 /nfs/dbraw/zinc/03/10/91/951031091.db2.gz VIPWXEYEUOFIEX-NSHDSACASA-N -1 0 313.309 2.317 20 10 DECDRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001595008373 951231775 /nfs/dbraw/zinc/23/17/75/951231775.db2.gz KUBUTXLUWPXIOU-DMTLFAOVSA-N -1 0 319.357 2.357 20 10 DECDRM C[C@@H](C[N@H+](C)Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC000715778996 955118471 /nfs/dbraw/zinc/11/84/71/955118471.db2.gz LWLOBPWRWOETBA-ZETCQYMHSA-N -1 0 320.158 2.446 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001339801620 957877565 /nfs/dbraw/zinc/87/75/65/957877565.db2.gz GOBZNYYMIOSLNO-LBPRGKRZSA-N -1 0 308.378 2.425 20 10 DECDRM C[C@@H](CN(C)C(=O)c1cc2cc(O)c(O)cc2s1)C(=O)[O-] ZINC001573588723 959386521 /nfs/dbraw/zinc/38/65/21/959386521.db2.gz VTUKUPWJMSCELV-ZETCQYMHSA-N -1 0 309.343 2.105 20 10 DECDRM Cc1c2ccccc2n(C)c1CN[C@H](C(=O)[O-])c1ccnn1C ZINC001594261509 959697820 /nfs/dbraw/zinc/69/78/20/959697820.db2.gz DDQAUQQKQHCDMX-INIZCTEOSA-N -1 0 312.373 2.136 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574333475 960902864 /nfs/dbraw/zinc/90/28/64/960902864.db2.gz PWYSVHJEKJCOPN-QWHCGFSZSA-N -1 0 304.390 2.178 20 10 DECDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001606407663 973858352 /nfs/dbraw/zinc/85/83/52/973858352.db2.gz BFXFMSMTSOPGTF-HZPDHXFCSA-N -1 0 316.401 2.404 20 10 DECDRM C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1O ZINC001599840040 988810840 /nfs/dbraw/zinc/81/08/40/988810840.db2.gz SWKMMOJYZUVRFV-ZYHUDNBSSA-N -1 0 306.362 2.253 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001598320651 991317781 /nfs/dbraw/zinc/31/77/81/991317781.db2.gz KTPNSOFZWZENPZ-UHFFFAOYSA-N -1 0 312.369 2.310 20 10 DECDRM CC(C)CN(CC(=O)[O-])C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001591298137 992247514 /nfs/dbraw/zinc/24/75/14/992247514.db2.gz NVBYCAUBQOVVOL-UHFFFAOYSA-N -1 0 323.370 2.495 20 10 DECDRM O=C([O-])c1cnc(SC[C@@H](O)COc2ccccc2)s1 ZINC001602537631 1069666774 /nfs/dbraw/zinc/66/67/74/1069666774.db2.gz YGBIAZSTPQWFKQ-VIFPVBQESA-N -1 0 311.384 2.373 20 10 DECDRM O=C([O-])c1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC001602540900 1069669513 /nfs/dbraw/zinc/66/95/13/1069669513.db2.gz XMLAONSLRBXKQN-UHFFFAOYSA-N -1 0 321.340 2.345 20 10 DECDRM C/C(=C\C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cnccn1 ZINC001602951349 1069799469 /nfs/dbraw/zinc/79/94/69/1069799469.db2.gz MPYLYSLEKHBGOP-YRNVUSSQSA-N -1 0 315.304 2.137 20 10 DECDRM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(O)c1 ZINC001605690794 1070842001 /nfs/dbraw/zinc/84/20/01/1070842001.db2.gz QXJZXTPDDXJSKS-PJODQICGSA-N -1 0 305.374 2.476 20 10 DECDRM COc1nsc(CN(C)c2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC001607363554 1071424162 /nfs/dbraw/zinc/42/41/62/1071424162.db2.gz QZQRCTIITMNPPQ-UHFFFAOYSA-N -1 0 322.342 2.215 20 10 DECDRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001607742631 1071542105 /nfs/dbraw/zinc/54/21/05/1071542105.db2.gz JSKBDBKKXGFHMW-UHFFFAOYSA-N -1 0 301.298 2.286 20 10 DECDRM CCNC(=O)c1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001558903689 1075108204 /nfs/dbraw/zinc/10/82/04/1075108204.db2.gz PAFFWKSXHHEOQL-UHFFFAOYSA-N -1 0 318.304 2.239 20 10 DECDRM Nc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001580445422 1075925008 /nfs/dbraw/zinc/92/50/08/1075925008.db2.gz CHBASFQAUWDFJV-UHFFFAOYSA-N -1 0 321.720 2.466 20 10 DECDRM Cc1cc(Cl)cc(CN[C@@H](C(=O)[O-])c2ccn(C)n2)c1O ZINC001600219093 1077164822 /nfs/dbraw/zinc/16/48/22/1077164822.db2.gz PFEXCOYSMJIEKP-GFCCVEGCSA-N -1 0 309.753 2.003 20 10 DECDRM O=C([O-])c1ccc(/C=C/C(=O)NCc2c(O)cccc2F)o1 ZINC001601238062 1077362984 /nfs/dbraw/zinc/36/29/84/1077362984.db2.gz YNLKYMLGJZXDSG-FNORWQNLSA-N -1 0 305.261 2.152 20 10 DECDRM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001601660186 1077427114 /nfs/dbraw/zinc/42/71/14/1077427114.db2.gz QOYIKKWBIZBPCX-AWEZNQCLSA-N -1 0 307.296 2.456 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC001601880654 1077469354 /nfs/dbraw/zinc/46/93/54/1077469354.db2.gz FJNVHMUCXXLQRW-NJADVUOSSA-N -1 0 318.329 2.042 20 10 DECDRM O=C([O-])CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001602051529 1077500220 /nfs/dbraw/zinc/50/02/20/1077500220.db2.gz XEMDCQNMKHKGAH-UHFFFAOYSA-N -1 0 307.327 2.002 20 10 DECDRM O=C([O-])[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1c1ccccc1 ZINC001602186583 1077522229 /nfs/dbraw/zinc/52/22/29/1077522229.db2.gz SMQMZFRUJCMNJG-CHWSQXEVSA-N -1 0 317.366 2.394 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001608238766 1077614475 /nfs/dbraw/zinc/61/44/75/1077614475.db2.gz ZDCOMDLVQUWRCZ-GFCCVEGCSA-N -1 0 318.333 2.318 20 10 DECDRM O=C([O-])c1cnc(SCC(=O)Nc2nccs2)s1 ZINC001608355692 1077630333 /nfs/dbraw/zinc/63/03/33/1077630333.db2.gz PZFZZRAMSJPSRJ-UHFFFAOYSA-N -1 0 301.374 2.029 20 10 DECDRM C[C@@H]1C[C@H](C)CN(C(=O)CSc2ncc(C(=O)[O-])s2)C1 ZINC001609841006 1077935210 /nfs/dbraw/zinc/93/52/10/1077935210.db2.gz NSUIVXCBDHKIHZ-DTORHVGOSA-N -1 0 314.432 2.438 20 10 DECDRM CCC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237618315 1138718329 /nfs/dbraw/zinc/71/83/29/1138718329.db2.gz FQUIURFASPZLFJ-UHFFFAOYSA-N -1 0 300.761 2.239 20 10 DECDRM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622238 1138719223 /nfs/dbraw/zinc/71/92/23/1138719223.db2.gz PDMNCGHEUJKYDD-LBPRGKRZSA-N -1 0 300.761 2.237 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC001237804272 1138792562 /nfs/dbraw/zinc/79/25/62/1138792562.db2.gz BDRKIFVOOSBEAM-ZDUSSCGKSA-N -1 0 314.788 2.091 20 10 DECDRM COC(=O)[C@@]1(F)CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935041 1138811274 /nfs/dbraw/zinc/81/12/74/1138811274.db2.gz PDTXXZKSRSHMGR-CYBMUJFWSA-N -1 0 305.708 2.272 20 10 DECDRM O=S(=O)(NCc1ccon1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429586 1142431679 /nfs/dbraw/zinc/43/16/79/1142431679.db2.gz WAXAESBAMSBZAQ-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM O=S(=O)(N[C@H]1CC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429036 1142431933 /nfs/dbraw/zinc/43/19/33/1142431933.db2.gz HYXNVTHARZLOIK-ZETCQYMHSA-N -1 0 318.128 2.385 20 10 DECDRM CCCS(=O)(=O)[N-]c1sc2c(c1C(N)=O)C[C@@H](C)CC2 ZINC001253634062 1142886201 /nfs/dbraw/zinc/88/62/01/1142886201.db2.gz GXQJLKXWUUUTCD-QMMMGPOBSA-N -1 0 316.448 2.124 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1cc(F)c(F)cc1F ZINC001259039636 1144061363 /nfs/dbraw/zinc/06/13/63/1144061363.db2.gz GRKJGELGDQMYKQ-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=S(=O)([N-]c1ccc2cnoc2c1)c1cccc2nonc21 ZINC001260441356 1144187118 /nfs/dbraw/zinc/18/71/18/1144187118.db2.gz DYGFPNANYMUXRJ-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000293813879 403570260 /nfs/dbraw/zinc/57/02/60/403570260.db2.gz FHJPYAMLTFADHL-RKDXNWHRSA-N -1 0 321.801 2.192 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1O ZINC000361122652 404930892 /nfs/dbraw/zinc/93/08/92/404930892.db2.gz KUUVYTLGYKEZQG-UHFFFAOYSA-N -1 0 307.375 2.034 20 10 DECDRM C[C@H](CS(C)(=O)=O)N(Cc1cccc(Cl)c1[O-])C1CC1 ZINC000180245483 524602279 /nfs/dbraw/zinc/60/22/79/524602279.db2.gz NXKLNPMLHDYMAJ-SNVBAGLBSA-N -1 0 317.838 2.443 20 10 DECDRM Cc1cc(Br)c([O-])c(C[N@H+](C)CCC(=O)[O-])c1 ZINC000820949335 597713523 /nfs/dbraw/zinc/71/35/23/597713523.db2.gz QIAVNNXFQUHJGO-UHFFFAOYSA-N -1 0 302.168 2.370 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000833194952 601681292 /nfs/dbraw/zinc/68/12/92/601681292.db2.gz AXCGGXVDRULVFY-WPTTZPOMSA-N -1 0 318.329 2.309 20 10 DECDRM CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)CNC(=O)[O-])c1[O-] ZINC000823628902 603752155 /nfs/dbraw/zinc/75/21/55/603752155.db2.gz YOPCIKGGTOCMQA-MRVPVSSYSA-N -1 0 314.769 2.336 20 10 DECDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000832516680 603863139 /nfs/dbraw/zinc/86/31/39/603863139.db2.gz YAJBNGDBIWDPIS-YPMHNXCESA-N -1 0 321.377 2.018 20 10 DECDRM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000824862158 604093060 /nfs/dbraw/zinc/09/30/60/604093060.db2.gz KZEJQFOXVDEIBB-CYBMUJFWSA-N -1 0 319.405 2.149 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830072161 605728427 /nfs/dbraw/zinc/72/84/27/605728427.db2.gz ALTZZZJICKFYFN-CQSZACIVSA-N -1 0 321.421 2.360 20 10 DECDRM O=C([O-])Nc1ccccc1CC(=O)NCc1ccccc1O ZINC000834274233 606072371 /nfs/dbraw/zinc/07/23/71/606072371.db2.gz JYTYHYDVOYMMHN-UHFFFAOYSA-N -1 0 300.314 2.341 20 10 DECDRM O=C(NCCc1ccc(O)c(O)c1)c1cc(F)c([O-])c(F)c1 ZINC000180178669 625177389 /nfs/dbraw/zinc/17/73/89/625177389.db2.gz WSZWUFXLSRAZJV-UHFFFAOYSA-N -1 0 309.268 2.054 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182108818 625242190 /nfs/dbraw/zinc/24/21/90/625242190.db2.gz KAGJWWYXARKSKE-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000314225833 625778841 /nfs/dbraw/zinc/77/88/41/625778841.db2.gz BOSCWNTVFYWCEI-XDFYEUQUSA-N -1 0 306.318 2.306 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(F)ccc1F ZINC000726876627 636479916 /nfs/dbraw/zinc/47/99/16/636479916.db2.gz YCBBGIMWXXTAKD-UKTHLTGXSA-N -1 0 300.264 2.426 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCc3ncncc3C2)c1[O-] ZINC000895723555 638166628 /nfs/dbraw/zinc/16/66/28/638166628.db2.gz XJLNGNVAXPEINZ-UHFFFAOYSA-N -1 0 320.736 2.302 20 10 DECDRM C[C@H](O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000840976945 650398752 /nfs/dbraw/zinc/39/87/52/650398752.db2.gz IDKAUHVCISPDFH-QPUJVOFHSA-N -1 0 306.189 2.281 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCOC1 ZINC000805226965 640319865 /nfs/dbraw/zinc/31/98/65/640319865.db2.gz RJEZXSZFLVZERC-SECBINFHSA-N -1 0 305.161 2.287 20 10 DECDRM CC[C@@](C)(NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929045892 640520566 /nfs/dbraw/zinc/52/05/66/640520566.db2.gz STJMOHCDUHCVHI-BDJLRTHQSA-N -1 0 307.394 2.366 20 10 DECDRM CC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929045896 640520736 /nfs/dbraw/zinc/52/07/36/640520736.db2.gz STJMOHCDUHCVHI-MEDUHNTESA-N -1 0 307.394 2.366 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774898473 641979233 /nfs/dbraw/zinc/97/92/33/641979233.db2.gz CWDJZZNZWQRCTA-UHFFFAOYSA-N -1 0 312.329 2.275 20 10 DECDRM CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775676166 642077942 /nfs/dbraw/zinc/07/79/42/642077942.db2.gz NJFOBSZMTFYNSF-GFCCVEGCSA-N -1 0 300.761 2.141 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775709658 642082694 /nfs/dbraw/zinc/08/26/94/642082694.db2.gz WHGWDORIZNVQGZ-VIFPVBQESA-N -1 0 300.761 2.237 20 10 DECDRM O=c1cc2c(n[nH]1)CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775993622 642120078 /nfs/dbraw/zinc/12/00/78/642120078.db2.gz BIJNWUSDVQYNBG-UHFFFAOYSA-N -1 0 309.728 2.239 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1scnc1C1CC1 ZINC000782326679 642862331 /nfs/dbraw/zinc/86/23/31/642862331.db2.gz PLVXMVNADHPPRT-XYOKQWHBSA-N -1 0 311.366 2.482 20 10 DECDRM Cc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1[O-] ZINC000839920127 645302753 /nfs/dbraw/zinc/30/27/53/645302753.db2.gz LMWVTDYBXGJMOY-NSHDSACASA-N -1 0 316.405 2.159 20 10 DECDRM CCO[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910335279 645412690 /nfs/dbraw/zinc/41/26/90/645412690.db2.gz QUCZWSNKFVVBEL-RNZFLTOJSA-N -1 0 306.318 2.308 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)CCC(=O)[O-])c1 ZINC000911343651 645685816 /nfs/dbraw/zinc/68/58/16/645685816.db2.gz RNSDVTUPLSGYPX-SNVBAGLBSA-N -1 0 309.362 2.469 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCc1cccs1 ZINC000911484016 645720419 /nfs/dbraw/zinc/72/04/19/645720419.db2.gz KKTILQGOTCXTQD-UHFFFAOYSA-N -1 0 319.382 2.500 20 10 DECDRM CCC[C@@H](OCC)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911493752 645723349 /nfs/dbraw/zinc/72/33/49/645723349.db2.gz NIYDJPUMCUQCHL-CQSZACIVSA-N -1 0 309.362 2.011 20 10 DECDRM Cc1cnn(C)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114142 646034904 /nfs/dbraw/zinc/03/49/04/646034904.db2.gz RQAYGAXFSVATCU-UHFFFAOYSA-N -1 0 319.745 2.027 20 10 DECDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000808530126 646101955 /nfs/dbraw/zinc/10/19/55/646101955.db2.gz NBDGNBOCXHKYHC-UHFFFAOYSA-N -1 0 324.387 2.246 20 10 DECDRM COCC[C@H]1COCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000812786787 646696319 /nfs/dbraw/zinc/69/63/19/646696319.db2.gz RGNDOMMTYXDQIN-LBPRGKRZSA-N -1 0 303.761 2.422 20 10 DECDRM CS(=O)(=O)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814177038 646858449 /nfs/dbraw/zinc/85/84/49/646858449.db2.gz XMMFLPHPJZDUEX-VIFPVBQESA-N -1 0 321.801 2.051 20 10 DECDRM CCOC(=O)CN(CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092399507 646978784 /nfs/dbraw/zinc/97/87/84/646978784.db2.gz LFVHBVVIVZCWQI-UHFFFAOYSA-N -1 0 316.741 2.339 20 10 DECDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](CO)O1 ZINC000817412253 647288312 /nfs/dbraw/zinc/28/83/12/647288312.db2.gz HDHURSVWOPTNPI-LLVKDONJSA-N -1 0 303.761 2.156 20 10 DECDRM C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000827968886 649112847 /nfs/dbraw/zinc/11/28/47/649112847.db2.gz CAUNTSOMASFZOO-QMMMGPOBSA-N -1 0 318.295 2.027 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000831072073 649534899 /nfs/dbraw/zinc/53/48/99/649534899.db2.gz JZAHGSAPAISCES-UONOGXRCSA-N -1 0 319.405 2.147 20 10 DECDRM COc1ccc(N2CCC(NC(=O)CCCC(=O)[O-])CC2)cc1 ZINC000844252708 651100033 /nfs/dbraw/zinc/10/00/33/651100033.db2.gz UOGRZOYERNEMJH-UHFFFAOYSA-N -1 0 320.389 2.035 20 10 DECDRM CN(CCO[C@@H]1CC1(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC000849345578 651654742 /nfs/dbraw/zinc/65/47/42/651654742.db2.gz YHBAQUXKSUKZCO-GFCCVEGCSA-N -1 0 301.289 2.010 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000852943179 652481851 /nfs/dbraw/zinc/48/18/51/652481851.db2.gz SKOALNRJBPPRFL-FVMDXXJSSA-N -1 0 307.346 2.079 20 10 DECDRM CN1CCCc2cc(CNC(=O)C3(C(=O)[O-])CC=CC3)ccc21 ZINC000852945423 652482289 /nfs/dbraw/zinc/48/22/89/652482289.db2.gz DTHFULVBLRGRQO-UHFFFAOYSA-N -1 0 314.385 2.106 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000852952328 652483872 /nfs/dbraw/zinc/48/38/72/652483872.db2.gz LBCHZSBIMPJBRZ-CQSZACIVSA-N -1 0 306.406 2.424 20 10 DECDRM CCc1nc(S(=O)(=O)[N-]c2ccc(O)cc2)cn1CC1CC1 ZINC000853023853 652490927 /nfs/dbraw/zinc/49/09/27/652490927.db2.gz NPTHGAZHUWIOGZ-UHFFFAOYSA-N -1 0 321.402 2.362 20 10 DECDRM CC(C)(C)C(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893927039 692971155 /nfs/dbraw/zinc/97/11/55/692971155.db2.gz ZTIMDYDEWYDXHJ-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM Cc1cc(C(=O)[O-])ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001211624494 777612685 /nfs/dbraw/zinc/61/26/85/777612685.db2.gz JOUKTPPESYUWRW-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM Cc1cc(CC(=O)NC[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC001118640770 795208621 /nfs/dbraw/zinc/20/86/21/795208621.db2.gz QSYMHDWGXYCREP-LBPRGKRZSA-N -1 0 314.385 2.474 20 10 DECDRM O=C([O-])C1(C(=O)N2CCc3cccc(O)c3C2)CCCCC1 ZINC001180437693 795297320 /nfs/dbraw/zinc/29/73/20/795297320.db2.gz AKSYCALRLGPJCB-UHFFFAOYSA-N -1 0 303.358 2.312 20 10 DECDRM CC(C)(C)OC(=O)NC1CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582351 796540625 /nfs/dbraw/zinc/54/06/25/796540625.db2.gz GSAPMCYXPCQOIS-UHFFFAOYSA-N -1 0 314.332 2.379 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(c2ccccn2)CC1 ZINC001140580381 796540897 /nfs/dbraw/zinc/54/08/97/796540897.db2.gz ZZEZNWKQAJPZHE-UHFFFAOYSA-N -1 0 305.328 2.388 20 10 DECDRM CC(C)(C)C(=O)N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584024 796542159 /nfs/dbraw/zinc/54/21/59/796542159.db2.gz CXFMKDPOKZPKSB-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)ccc1O ZINC001194977021 797809045 /nfs/dbraw/zinc/80/90/45/797809045.db2.gz PIWUGYOAKROSNN-UHFFFAOYSA-N -1 0 315.354 2.445 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2cccc(O)c2O)cc1 ZINC001197136910 798147437 /nfs/dbraw/zinc/14/74/37/798147437.db2.gz KQJYIZZWLZQIAK-UHFFFAOYSA-N -1 0 318.354 2.283 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC001197120221 798151062 /nfs/dbraw/zinc/15/10/62/798151062.db2.gz CFCAJYCAEGHEHP-UHFFFAOYSA-N -1 0 305.334 2.406 20 10 DECDRM O=S(=O)([O-])c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209767974 801278593 /nfs/dbraw/zinc/27/85/93/801278593.db2.gz UCOYPRVPQCPEFJ-UHFFFAOYSA-N -1 0 306.343 2.481 20 10 DECDRM CCCCN(CC(=O)OCC)Cc1ccc(C(=O)[O-])cc1O ZINC001231453444 801669551 /nfs/dbraw/zinc/66/95/51/801669551.db2.gz HDHVRXQAMGYMFG-UHFFFAOYSA-N -1 0 309.362 2.256 20 10 DECDRM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000401329109 801824658 /nfs/dbraw/zinc/82/46/58/801824658.db2.gz BRYOCSYWCZERTM-HWPRWLFBSA-N -1 0 306.318 2.308 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000315661669 802478620 /nfs/dbraw/zinc/47/86/20/802478620.db2.gz YXNGNCMCZTYPAS-CABCVRRESA-N -1 0 304.390 2.260 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1[O-] ZINC001227620469 803262886 /nfs/dbraw/zinc/26/28/86/803262886.db2.gz IDDSGWHJUWUJAA-DJLDLDEBSA-N -1 0 324.354 2.370 20 10 DECDRM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001595159127 952186682 /nfs/dbraw/zinc/18/66/82/952186682.db2.gz JBRWUUKEWKFIJV-CYBMUJFWSA-N -1 0 307.296 2.456 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC001593883022 955727322 /nfs/dbraw/zinc/72/73/22/955727322.db2.gz MZWQUWFSBGZBJW-ZBOXLXRLSA-N -1 0 321.373 2.473 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001339864440 962081331 /nfs/dbraw/zinc/08/13/31/962081331.db2.gz OHRMBRBDFVTJFK-UHFFFAOYSA-N -1 0 306.362 2.143 20 10 DECDRM CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001596203373 983590033 /nfs/dbraw/zinc/59/00/33/983590033.db2.gz HSLAHXFKKHJVRV-HNNXBMFYSA-N -1 0 322.405 2.137 20 10 DECDRM CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)CC(=O)[O-] ZINC001590726336 990516742 /nfs/dbraw/zinc/51/67/42/990516742.db2.gz PCGPJIBCOFVFSC-UHFFFAOYSA-N -1 0 314.769 2.346 20 10 DECDRM COc1ccccc1NC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599715323 991444433 /nfs/dbraw/zinc/44/44/33/991444433.db2.gz DSGRGZBZMQPDLV-ZDUSSCGKSA-N -1 0 317.341 2.245 20 10 DECDRM COc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)c1O ZINC001599673472 994855655 /nfs/dbraw/zinc/85/56/55/994855655.db2.gz KKCLGQZRJVOABN-UHFFFAOYSA-N -1 0 322.342 2.482 20 10 DECDRM COC(=O)COc1ccc(N(C)CCC(C)(C)C(=O)[O-])cc1 ZINC001598866513 996709069 /nfs/dbraw/zinc/70/90/69/996709069.db2.gz ITDHSSNIDUKHQO-UHFFFAOYSA-N -1 0 309.362 2.176 20 10 DECDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)c(O)c1 ZINC001599569317 998339072 /nfs/dbraw/zinc/33/90/72/998339072.db2.gz CKEKNAANZZJRJN-UHFFFAOYSA-N -1 0 322.342 2.482 20 10 DECDRM CC(C)C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001603774957 1070094717 /nfs/dbraw/zinc/09/47/17/1070094717.db2.gz XHDVDCZIRKPQNK-NSHDSACASA-N -1 0 320.349 2.326 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC001605434920 1070711183 /nfs/dbraw/zinc/71/11/83/1070711183.db2.gz JPRDHWFMHXKBHD-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC001621417481 1078174141 /nfs/dbraw/zinc/17/41/41/1078174141.db2.gz HXXXRTPKTVKHMS-YIZRAAEISA-N -1 0 300.761 2.282 20 10 DECDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1c([O-])c(O)ccc1F ZINC001638585126 1078572030 /nfs/dbraw/zinc/57/20/30/1078572030.db2.gz KCHLHDZQGWECAF-UHFFFAOYSA-N -1 0 314.272 2.331 20 10 DECDRM O=C(NCc1c(O)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001638864083 1078584652 /nfs/dbraw/zinc/58/46/52/1078584652.db2.gz UMABPPZWHNALNO-UHFFFAOYSA-N -1 0 306.249 2.075 20 10 DECDRM COc1ccc([S@](C)(=O)=NC(=O)c2cccc(O)c2[O-])cc1 ZINC001645098993 1078878130 /nfs/dbraw/zinc/87/81/30/1078878130.db2.gz RMZWHUCDFKHFIR-QFIPXVFZSA-N -1 0 321.354 2.404 20 10 DECDRM C[C@@H](COc1ccc(F)cc1)NC(=O)c1cccc(O)c1O ZINC001542214489 1072453579 /nfs/dbraw/zinc/45/35/79/1072453579.db2.gz VBTTYCMUJUJGGF-JTQLQIEISA-N -1 0 305.305 2.434 20 10 DECDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1c(F)ccc(O)c1[O-] ZINC001648707616 1075006821 /nfs/dbraw/zinc/00/68/21/1075006821.db2.gz FELJFZNGFSLDME-UHFFFAOYSA-N -1 0 314.276 2.274 20 10 DECDRM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(O)c1O ZINC001594344209 1077053832 /nfs/dbraw/zinc/05/38/32/1077053832.db2.gz PEUJYQCYSRXZCY-LLVKDONJSA-N -1 0 307.346 2.123 20 10 DECDRM Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC001600340437 1077183304 /nfs/dbraw/zinc/18/33/04/1077183304.db2.gz RYCWMKHCVGSXGI-UHFFFAOYSA-N -1 0 315.325 2.077 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001600391852 1077192565 /nfs/dbraw/zinc/19/25/65/1077192565.db2.gz RNRAZJXPILKEJU-CQSZACIVSA-N -1 0 304.321 2.247 20 10 DECDRM Cc1ccc(C[NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(O)c1 ZINC001600412283 1077196118 /nfs/dbraw/zinc/19/61/18/1077196118.db2.gz DTSHZBAUGQSQBT-UHFFFAOYSA-N -1 0 319.401 2.282 20 10 DECDRM Cc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001600465422 1077206837 /nfs/dbraw/zinc/20/68/37/1077206837.db2.gz YSUBYLMFEDAROQ-UHFFFAOYSA-N -1 0 320.370 2.460 20 10 DECDRM Nc1ccc(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001601216087 1077358329 /nfs/dbraw/zinc/35/83/29/1077358329.db2.gz NAIHAIJPFFSBSD-CQSZACIVSA-N -1 0 304.390 2.209 20 10 DECDRM Nc1ncccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001601221695 1077359441 /nfs/dbraw/zinc/35/94/41/1077359441.db2.gz MTDDHVYPWDGOOM-UHFFFAOYSA-N -1 0 321.764 2.110 20 10 DECDRM O=C([O-])c1cnc(Cl)c(NC(=O)NCc2ccccc2O)c1 ZINC001601544216 1077409914 /nfs/dbraw/zinc/40/99/14/1077409914.db2.gz PBEUYNIUZWGZPL-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001601660962 1077427221 /nfs/dbraw/zinc/42/72/21/1077427221.db2.gz ZEFOXGNGSJOIEO-CQSZACIVSA-N -1 0 307.296 2.456 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC001601881968 1077469734 /nfs/dbraw/zinc/46/97/34/1077469734.db2.gz WIIOGTPYRUWYRZ-FUEXJSSKSA-N -1 0 306.318 2.044 20 10 DECDRM O=C([O-])CC1(CC(=O)NCc2cccc(O)c2O)CCCC1 ZINC001601913617 1077475256 /nfs/dbraw/zinc/47/52/56/1077475256.db2.gz SEOOOQHPFXIYDB-UHFFFAOYSA-N -1 0 307.346 2.139 20 10 DECDRM Cn1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001608123453 1077596436 /nfs/dbraw/zinc/59/64/36/1077596436.db2.gz JCAPHSHYSHWNQI-UHFFFAOYSA-N -1 0 322.748 2.111 20 10 DECDRM O=C([O-])[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC001608540356 1077652362 /nfs/dbraw/zinc/65/23/62/1077652362.db2.gz RDSLYAGSLDLUNX-AWEZNQCLSA-N -1 0 321.354 2.002 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001608660903 1077672189 /nfs/dbraw/zinc/67/21/89/1077672189.db2.gz FWNRKLPSOQGFFQ-DTRQGZQOSA-N -1 0 324.308 2.257 20 10 DECDRM COC(=O)COc1ccc(N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC001610185843 1077987838 /nfs/dbraw/zinc/98/78/38/1077987838.db2.gz CFTBOLQKFCZJKR-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c(O)c1 ZINC001610333975 1078005234 /nfs/dbraw/zinc/00/52/34/1078005234.db2.gz SWINWRRGTNFYOL-UHFFFAOYSA-N -1 0 319.288 2.168 20 10 DECDRM Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OCC(=O)[O-] ZINC001610457218 1078023162 /nfs/dbraw/zinc/02/31/62/1078023162.db2.gz CYEZQTCLGLDZGB-YHYXMXQVSA-N -1 0 323.395 2.256 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@](F)(CO)C1 ZINC001235296542 1084376457 /nfs/dbraw/zinc/37/64/57/1084376457.db2.gz KDCSNFPPIMQLJG-GFCCVEGCSA-N -1 0 322.149 2.200 20 10 DECDRM COc1ccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c(OC)c1 ZINC001212566352 1086560606 /nfs/dbraw/zinc/56/06/06/1086560606.db2.gz PURKGCPRXUMLEW-UHFFFAOYSA-N -1 0 315.285 2.227 20 10 DECDRM COc1cccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c1OC ZINC001212566331 1086560715 /nfs/dbraw/zinc/56/07/15/1086560715.db2.gz OYFUOPWCQXLBNK-UHFFFAOYSA-N -1 0 315.285 2.227 20 10 DECDRM COc1ccc(CN2C[C@H](F)C[C@@H](CO)C2)c([O-])c1Cl ZINC001236802112 1138433893 /nfs/dbraw/zinc/43/38/93/1138433893.db2.gz OTVDJKNXMYDWSE-MWLCHTKSSA-N -1 0 303.761 2.207 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C\c2ccc3c(c2)CCC3)SC1=S ZINC001339590054 1143059884 /nfs/dbraw/zinc/05/98/84/1143059884.db2.gz NXLULFSORYFQIR-KPKJPENVSA-N -1 0 319.407 2.461 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090981 1144065089 /nfs/dbraw/zinc/06/50/89/1144065089.db2.gz JDWQQSSCEXQEDQ-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM O=C(NCc1cc(Cl)ccc1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001300396238 1151850004 /nfs/dbraw/zinc/85/00/04/1151850004.db2.gz NDPRAECYJFPXLP-UHFFFAOYSA-N -1 0 319.704 2.217 20 10 DECDRM C[C@@H](NCc1ncn(C)n1)c1cc(Br)ccc1O ZINC000186213855 402411426 /nfs/dbraw/zinc/41/14/26/402411426.db2.gz IXEXDVHTMTYNEH-MRVPVSSYSA-N -1 0 311.183 2.134 20 10 DECDRM CO[C@H](C)CS(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000193120490 402765989 /nfs/dbraw/zinc/76/59/89/402765989.db2.gz PPXGZRHMQAUDRS-ZCFIWIBFSA-N -1 0 314.190 2.476 20 10 DECDRM CCS(=O)(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000195163907 402834633 /nfs/dbraw/zinc/83/46/33/402834633.db2.gz RZGHQDLSPDTOGH-UHFFFAOYSA-N -1 0 317.838 2.445 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293628655 403523026 /nfs/dbraw/zinc/52/30/26/403523026.db2.gz MZDYZRDQOLQYFH-SNVBAGLBSA-N -1 0 321.801 2.194 20 10 DECDRM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](C)S1(=O)=O ZINC000290868795 404344186 /nfs/dbraw/zinc/34/41/86/404344186.db2.gz KCDHMEXZRWBSOB-NXEZZACHSA-N -1 0 303.811 2.053 20 10 DECDRM Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000820949372 597713138 /nfs/dbraw/zinc/71/31/38/597713138.db2.gz TYSNULREKABKLH-QMMMGPOBSA-N -1 0 302.168 2.368 20 10 DECDRM COc1ccc(O)c(CNC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000820846205 598177684 /nfs/dbraw/zinc/17/76/84/598177684.db2.gz ZFZLZUCNGXZFIM-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM Cc1cc(C(=O)Cn2cnc(C(=O)[O-])n2)c(C)n1-c1ccccc1 ZINC000738320925 599824035 /nfs/dbraw/zinc/82/40/35/599824035.db2.gz WSEUBMXILZDACB-UHFFFAOYSA-N -1 0 324.340 2.267 20 10 DECDRM COc1cccc(CNC(=O)c2ccc(C(=O)[O-])s2)c1O ZINC000738105334 599903119 /nfs/dbraw/zinc/90/31/19/599903119.db2.gz ZDOFUNRZWFCSTQ-UHFFFAOYSA-N -1 0 307.327 2.091 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000737377027 600662643 /nfs/dbraw/zinc/66/26/43/600662643.db2.gz IQWLTKMFVOKJQO-CHWSQXEVSA-N -1 0 322.380 2.399 20 10 DECDRM CC(C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000826585590 601667375 /nfs/dbraw/zinc/66/73/75/601667375.db2.gz OZZQJLXSDYRLFJ-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N(C)Cc1ccccc1O ZINC000824189428 603656411 /nfs/dbraw/zinc/65/64/11/603656411.db2.gz JAXUWOKJZYUIKM-ZDUSSCGKSA-N -1 0 323.393 2.216 20 10 DECDRM O=C([O-])NC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834225717 605992070 /nfs/dbraw/zinc/99/20/70/605992070.db2.gz QITHOUMZIBNLMP-QMMMGPOBSA-N -1 0 302.733 2.274 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cc1F ZINC000191220287 625509552 /nfs/dbraw/zinc/50/95/52/625509552.db2.gz RNRHGMFYTABMPM-UHFFFAOYSA-N -1 0 313.332 2.399 20 10 DECDRM O=S(=O)(c1ncc[n-]1)N(Cc1ccccc1O)C1CCCC1 ZINC000866843852 622574349 /nfs/dbraw/zinc/57/43/49/622574349.db2.gz NPMVWWBAPPCJNF-UHFFFAOYSA-N -1 0 321.402 2.249 20 10 DECDRM Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000013464094 625120060 /nfs/dbraw/zinc/12/00/60/625120060.db2.gz GUGLLRMATNAICZ-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000840988297 650401493 /nfs/dbraw/zinc/40/14/93/650401493.db2.gz FNASNWYXKHFLRZ-GFCCVEGCSA-N -1 0 307.394 2.368 20 10 DECDRM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000895861604 638228346 /nfs/dbraw/zinc/22/83/46/638228346.db2.gz FKFPCQWVIBVWKG-YPMHNXCESA-N -1 0 313.781 2.246 20 10 DECDRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000840988767 650401540 /nfs/dbraw/zinc/40/15/40/650401540.db2.gz MACHEGPAMATNLC-LBPRGKRZSA-N -1 0 319.405 2.320 20 10 DECDRM CC[C@](C)(NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929045894 640520513 /nfs/dbraw/zinc/52/05/13/640520513.db2.gz STJMOHCDUHCVHI-BZNIZROVSA-N -1 0 307.394 2.366 20 10 DECDRM COC(=O)C(C)(C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769306374 641213151 /nfs/dbraw/zinc/21/31/51/641213151.db2.gz SPWXVFFNZRGVSD-UHFFFAOYSA-N -1 0 316.741 2.337 20 10 DECDRM CC[C@H]1C(=O)NCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000898558474 641704660 /nfs/dbraw/zinc/70/46/60/641704660.db2.gz QJGKSRBWLGJNCC-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM O=C([O-])c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cn1 ZINC000899342352 642038912 /nfs/dbraw/zinc/03/89/12/642038912.db2.gz UPOFDKRKARYKMW-WQLSENKSSA-N -1 0 317.370 2.236 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777629162 642289299 /nfs/dbraw/zinc/28/92/99/642289299.db2.gz FFEJOBWTPXUTMG-UHFFFAOYSA-N -1 0 307.375 2.108 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC000901946475 642839535 /nfs/dbraw/zinc/83/95/35/642839535.db2.gz DBTPLBDXKVENIM-UHFFFAOYSA-N -1 0 323.374 2.123 20 10 DECDRM O=C(Nc1nnc(C(F)F)s1)c1c(F)ccc(O)c1[O-] ZINC000790070045 643812437 /nfs/dbraw/zinc/81/24/37/643812437.db2.gz ZBWYFUGYPQBPCY-UHFFFAOYSA-N -1 0 305.237 2.278 20 10 DECDRM COC(=O)[C@]1(F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792168984 644083269 /nfs/dbraw/zinc/08/32/69/644083269.db2.gz HRTVHTOKFUPKGL-ZDUSSCGKSA-N -1 0 305.708 2.272 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2ccccc2OC)ccc1O ZINC000797819566 644927013 /nfs/dbraw/zinc/92/70/13/644927013.db2.gz MSMYCYQAVYCPBB-UHFFFAOYSA-N -1 0 309.343 2.210 20 10 DECDRM CO[C@@H]1CC[C@H]1N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910389246 645437155 /nfs/dbraw/zinc/43/71/55/645437155.db2.gz SIIJEUJEYQGYTE-BFDHXNPWSA-N -1 0 306.318 2.306 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)C=C1CCSCC1 ZINC000911488259 645721980 /nfs/dbraw/zinc/72/19/80/645721980.db2.gz JEWMVMLAZVMMDE-UHFFFAOYSA-N -1 0 321.398 2.259 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000911492618 645723211 /nfs/dbraw/zinc/72/32/11/645723211.db2.gz IRIBUNOPJXMTRZ-UONOGXRCSA-N -1 0 303.358 2.242 20 10 DECDRM COCCOCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840049 645995332 /nfs/dbraw/zinc/99/53/32/645995332.db2.gz WJXDEDKYYVXGEJ-UHFFFAOYSA-N -1 0 322.188 2.368 20 10 DECDRM O=C1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000816498879 647142660 /nfs/dbraw/zinc/14/26/60/647142660.db2.gz SQVJNCRXEFOLQU-STQMWFEESA-N -1 0 312.772 2.428 20 10 DECDRM C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816510723 647144499 /nfs/dbraw/zinc/14/44/99/647144499.db2.gz DWCKENQTHBWYGY-QMMMGPOBSA-N -1 0 309.790 2.050 20 10 DECDRM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H](CO)O1 ZINC000817413354 647289153 /nfs/dbraw/zinc/28/91/53/647289153.db2.gz WZIVWVBTOORRBF-VIFPVBQESA-N -1 0 303.761 2.156 20 10 DECDRM CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818622323 647491070 /nfs/dbraw/zinc/49/10/70/647491070.db2.gz OCFTWKNGGBZRDI-UHFFFAOYSA-N -1 0 321.421 2.443 20 10 DECDRM CC(C)OC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000824847412 648661572 /nfs/dbraw/zinc/66/15/72/648661572.db2.gz YRDWJHMUSWGYLZ-AWEZNQCLSA-N -1 0 310.350 2.366 20 10 DECDRM C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000831003820 649527639 /nfs/dbraw/zinc/52/76/39/649527639.db2.gz CDUJXGRRRUWQSO-IUODEOHRSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@@H]1[C@H](CO)CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210191 651092912 /nfs/dbraw/zinc/09/29/12/651092912.db2.gz RHDPUIZPFGFTPF-HASJVIIQSA-N -1 0 320.345 2.290 20 10 DECDRM CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000844210775 651093488 /nfs/dbraw/zinc/09/34/88/651093488.db2.gz HZUMBUSKPHAPCY-SDQPKGBYSA-N -1 0 320.345 2.290 20 10 DECDRM COc1ccc(N(C)CCN(C)c2ncccc2C(=O)[O-])cc1 ZINC000844931916 651184530 /nfs/dbraw/zinc/18/45/30/651184530.db2.gz XKTVDOKFYWAAJT-UHFFFAOYSA-N -1 0 315.373 2.361 20 10 DECDRM NC(=O)NC(=O)c1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864036455 686603920 /nfs/dbraw/zinc/60/39/20/686603920.db2.gz QEPDTYONRBLQLF-UHFFFAOYSA-N -1 0 321.283 2.091 20 10 DECDRM COc1ccc(N(CC(=O)[O-])CC(=O)NCCCC(C)C)cc1 ZINC000872896503 689114705 /nfs/dbraw/zinc/11/47/05/689114705.db2.gz QRIOKVPBACFUFG-UHFFFAOYSA-N -1 0 322.405 2.139 20 10 DECDRM CCN(CC(C)C)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872944396 689126084 /nfs/dbraw/zinc/12/60/84/689126084.db2.gz BLEBODVDTDWQBM-UHFFFAOYSA-N -1 0 322.405 2.091 20 10 DECDRM COCC1(C2CC2)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000877686327 690191606 /nfs/dbraw/zinc/19/16/06/690191606.db2.gz NTWCEGVYUFNPGH-UHFFFAOYSA-N -1 0 322.361 2.167 20 10 DECDRM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)S1(=O)=O ZINC000894763073 692987231 /nfs/dbraw/zinc/98/72/31/692987231.db2.gz XOFMRTIYHDVYAB-JOYOIKCWSA-N -1 0 319.373 2.068 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC001357172760 1152263140 /nfs/dbraw/zinc/26/31/40/1152263140.db2.gz IVAFSCKSSRDLQI-QWHCGFSZSA-N -1 0 321.421 2.012 20 10 DECDRM CC1(C)CCN(Cc2cc(F)cc(F)c2[O-])CC[S@@]1=O ZINC000708401419 778073229 /nfs/dbraw/zinc/07/32/29/778073229.db2.gz RRKHBZKNHRTMCZ-FQEVSTJZSA-N -1 0 303.374 2.403 20 10 DECDRM O=C(Nc1ccc2n[nH]cc2c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878348 791645540 /nfs/dbraw/zinc/64/55/40/791645540.db2.gz CIZAJYRSGYUTLV-UHFFFAOYSA-N -1 0 319.324 2.294 20 10 DECDRM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(=O)[O-])cc1 ZINC001176712672 794489815 /nfs/dbraw/zinc/48/98/15/794489815.db2.gz OBLMTLMTXPLUAX-UHFFFAOYSA-N -1 0 306.343 2.065 20 10 DECDRM O=C([N-]c1c2nonc2ccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC001117547608 795082453 /nfs/dbraw/zinc/08/24/53/795082453.db2.gz LEZYNDNBAFDHEN-UHFFFAOYSA-N -1 0 319.664 2.432 20 10 DECDRM [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC001119444555 795301892 /nfs/dbraw/zinc/30/18/92/795301892.db2.gz BPYUDBHTWVSLJX-JTQLQIEISA-N -1 0 304.159 2.251 20 10 DECDRM CC[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001121840006 795693862 /nfs/dbraw/zinc/69/38/62/795693862.db2.gz URKRPLWHSUDAHP-CYBMUJFWSA-N -1 0 307.394 2.005 20 10 DECDRM Cc1c(C)c([N-]S(=O)(=O)c2cnc(Cl)nc2)ccc1O ZINC001185047379 796177387 /nfs/dbraw/zinc/17/73/87/796177387.db2.gz FMLZFPLBVSEXPD-UHFFFAOYSA-N -1 0 313.766 2.253 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1Cc2cnn(C)c2C1 ZINC001139127046 796327157 /nfs/dbraw/zinc/32/71/57/796327157.db2.gz CLHPVNYQOKUQFR-UHFFFAOYSA-N -1 0 311.341 2.056 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCOCC1(C)C ZINC001139129053 796329012 /nfs/dbraw/zinc/32/90/12/796329012.db2.gz MLQHEQQSKRDZIO-UHFFFAOYSA-N -1 0 303.358 2.418 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001139133609 796330461 /nfs/dbraw/zinc/33/04/61/796330461.db2.gz JBGBAWMUWDEWDM-HNNXBMFYSA-N -1 0 315.369 2.418 20 10 DECDRM COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])cc(F)cc1F ZINC001140583439 796540889 /nfs/dbraw/zinc/54/08/89/796540889.db2.gz GVNWGMHOQUGRKF-JTQLQIEISA-N -1 0 307.243 2.053 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(Cc2ccccn2)CC1 ZINC001140581380 796541014 /nfs/dbraw/zinc/54/10/14/796541014.db2.gz QKFVNNCZOZSSLC-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM O=C(NCc1nccc(Cl)n1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634275 797597911 /nfs/dbraw/zinc/59/79/11/797597911.db2.gz UGHZCLQNBSOCTK-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM O=C(Nc1ccnc2c1CCC2)c1cc(O)c([O-])c(Cl)c1 ZINC001193606206 797601924 /nfs/dbraw/zinc/60/19/24/797601924.db2.gz WHQARYSPNUOKAK-UHFFFAOYSA-N -1 0 304.733 2.309 20 10 DECDRM O=C(c1cc(Cl)ncc1[O-])N1CCc2cccc(O)c2C1 ZINC001196396937 798050173 /nfs/dbraw/zinc/05/01/73/798050173.db2.gz ZOCCDONBNYLVTP-UHFFFAOYSA-N -1 0 304.733 2.345 20 10 DECDRM Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231913843 801750142 /nfs/dbraw/zinc/75/01/42/801750142.db2.gz SXYQYAKPNZKPQV-UHFFFAOYSA-N -1 0 318.808 2.466 20 10 DECDRM C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(N(C)C)cc1 ZINC001589089654 955924295 /nfs/dbraw/zinc/92/42/95/955924295.db2.gz JEBUFYMNTKEEDK-GFCCVEGCSA-N -1 0 302.374 2.351 20 10 DECDRM Cc1cc(CC(=O)N(C)CC(=O)[O-])c(C)n1-c1ccccc1 ZINC001327840174 957350692 /nfs/dbraw/zinc/35/06/92/957350692.db2.gz KPEYLSJTWOIRGN-UHFFFAOYSA-N -1 0 300.358 2.180 20 10 DECDRM Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1O ZINC001594346111 958321652 /nfs/dbraw/zinc/32/16/52/958321652.db2.gz HLWWMVMVIBCTKE-ADEWGFFLSA-N -1 0 321.373 2.271 20 10 DECDRM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC001332032958 961457635 /nfs/dbraw/zinc/45/76/35/961457635.db2.gz RCBKZJPZNNEPQD-KZCWHLCOSA-N -1 0 318.142 2.247 20 10 DECDRM C[C@H](CSCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001592823930 979534071 /nfs/dbraw/zinc/53/40/71/979534071.db2.gz BJEMKLGIZUULDU-GFCCVEGCSA-N -1 0 324.446 2.165 20 10 DECDRM CC[C@H](C)N(CCO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594983788 982788777 /nfs/dbraw/zinc/78/87/77/982788777.db2.gz NYSHTWAMZAWZEG-XOIDGJRKSA-N -1 0 308.334 2.290 20 10 DECDRM CCCN(CC(=O)OC)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001595860306 982794479 /nfs/dbraw/zinc/79/44/79/982794479.db2.gz LHEGDKGOXQAHHZ-ALCCZGGFSA-N -1 0 322.317 2.082 20 10 DECDRM CCN(Cc1cnc(C(=O)[O-])cn1)c1ccc(OC)c(OC)c1 ZINC001596378748 983899517 /nfs/dbraw/zinc/89/95/17/983899517.db2.gz UQRYMLSIUFPGBW-UHFFFAOYSA-N -1 0 317.345 2.219 20 10 DECDRM C[C@H]1CC[C@H](O)CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599909266 984963761 /nfs/dbraw/zinc/96/37/61/984963761.db2.gz XECSUHWJDMGPSU-FBSILNAGSA-N -1 0 306.318 2.042 20 10 DECDRM C[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1O ZINC001599840072 988810981 /nfs/dbraw/zinc/81/09/81/988810981.db2.gz ARSQDTZAGCLNQM-UDKBDQPSSA-N -1 0 304.346 2.006 20 10 DECDRM C[C@@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593084583 993688879 /nfs/dbraw/zinc/68/88/79/993688879.db2.gz TTZHDJBDPMGCEX-BXUZGUMPSA-N -1 0 317.389 2.286 20 10 DECDRM COc1cc(C)cc(CN(CC(=O)[O-])CC(F)(F)F)c1O ZINC001599391550 997047139 /nfs/dbraw/zinc/04/71/39/997047139.db2.gz COWJOIBULFAEDY-UHFFFAOYSA-N -1 0 307.268 2.158 20 10 DECDRM COCC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599194731 997193487 /nfs/dbraw/zinc/19/34/87/997193487.db2.gz ISYRCVPIVJACOF-XQRVVYSFSA-N -1 0 306.318 2.165 20 10 DECDRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001602356184 1069616904 /nfs/dbraw/zinc/61/69/04/1069616904.db2.gz RJUPYNWLGMTAOC-UHFFFAOYSA-N -1 0 321.716 2.379 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001604811723 1070502283 /nfs/dbraw/zinc/50/22/83/1070502283.db2.gz KBIKICTURAJZOT-RLEJMEQYSA-N -1 0 320.345 2.147 20 10 DECDRM Cc1[nH]c(C(=O)NCc2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001607491224 1071457359 /nfs/dbraw/zinc/45/73/59/1071457359.db2.gz SSPKZMHKQKWBRL-UHFFFAOYSA-N -1 0 315.373 2.326 20 10 DECDRM O=C(NCc1ccc(O)cc1O)c1cc(F)c(F)c([O-])c1F ZINC001451763315 1056919143 /nfs/dbraw/zinc/91/91/43/1056919143.db2.gz AKUJTFMWXLWQOV-UHFFFAOYSA-N -1 0 313.231 2.151 20 10 DECDRM NC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(F)c(F)c1[O-] ZINC001461947907 1058741156 /nfs/dbraw/zinc/74/11/56/1058741156.db2.gz GJRNXLOPGHRDSI-HNNXBMFYSA-N -1 0 318.323 2.255 20 10 DECDRM Cc1c(C(=O)[O-])cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])n1C ZINC001599994290 1077120903 /nfs/dbraw/zinc/12/09/03/1077120903.db2.gz UWNJWDNPNGTHFT-UHFFFAOYSA-N -1 0 310.300 2.305 20 10 DECDRM Cc1ccncc1/C=C/C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001600604467 1077231563 /nfs/dbraw/zinc/23/15/63/1077231563.db2.gz ISNSMJOGUNBNJQ-FYCOFBDGSA-N -1 0 324.336 2.282 20 10 DECDRM NC(=O)[C@H](Sc1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001601138295 1077348087 /nfs/dbraw/zinc/34/80/87/1077348087.db2.gz BXIOZNUAOYCLMU-SECBINFHSA-N -1 0 312.347 2.299 20 10 DECDRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC(=O)CS2)C1 ZINC001602195143 1077523464 /nfs/dbraw/zinc/52/34/64/1077523464.db2.gz GIJWYHVQJZDIFV-RQJHMYQMSA-N -1 0 323.292 2.179 20 10 DECDRM O=C([O-])c1c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)sc2c1CCC2 ZINC001602231082 1077530794 /nfs/dbraw/zinc/53/07/94/1077530794.db2.gz BYNHXNYYAMVJGR-SFGNSQDASA-N -1 0 319.382 2.489 20 10 DECDRM Cc1ncoc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001607992560 1077573470 /nfs/dbraw/zinc/57/34/70/1077573470.db2.gz AMTOEJBFIFVUFM-UHFFFAOYSA-N -1 0 324.720 2.069 20 10 DECDRM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001609835249 1077933891 /nfs/dbraw/zinc/93/38/91/1077933891.db2.gz SZJZWXXWOMHNEY-OIBJUYFYSA-N -1 0 314.725 2.249 20 10 DECDRM NC(=O)[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001656056927 1080033157 /nfs/dbraw/zinc/03/31/57/1080033157.db2.gz UMEFNAXRGLESKF-CYBMUJFWSA-N -1 0 310.275 2.126 20 10 DECDRM COc1cc(F)c(F)cc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566167 1086559441 /nfs/dbraw/zinc/55/94/41/1086559441.db2.gz GWVSUDHOWBNEJL-UHFFFAOYSA-N -1 0 321.239 2.497 20 10 DECDRM COc1c(F)cccc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566514 1086560065 /nfs/dbraw/zinc/56/00/65/1086560065.db2.gz YVLXQYBPWMGQDT-UHFFFAOYSA-N -1 0 303.249 2.358 20 10 DECDRM COc1ccc(CN2CCc3ncn(C)c3C2)c([O-])c1Cl ZINC001236809315 1138434812 /nfs/dbraw/zinc/43/48/12/1138434812.db2.gz KXVOCQFWTKCVMP-UHFFFAOYSA-N -1 0 307.781 2.346 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCN(c2ncccn2)CC1 ZINC001237807450 1138797699 /nfs/dbraw/zinc/79/76/99/1138797699.db2.gz IZSSCEGBLGOSFV-UHFFFAOYSA-N -1 0 322.771 2.297 20 10 DECDRM C[C@H](O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001251967839 1142568778 /nfs/dbraw/zinc/56/87/78/1142568778.db2.gz XZAQDIMCGBTQSS-LBPRGKRZSA-N -1 0 313.353 2.337 20 10 DECDRM COCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1Cl ZINC001259971955 1144166089 /nfs/dbraw/zinc/16/60/89/1144166089.db2.gz YVZQHATUPAJBFM-UHFFFAOYSA-N -1 0 300.163 2.087 20 10 DECDRM CCCCN1CC(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000077475206 355207427 /nfs/dbraw/zinc/20/74/27/355207427.db2.gz DGLYAVYXAOHROW-CYBMUJFWSA-N -1 0 313.741 2.184 20 10 DECDRM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281945994 296136134 /nfs/dbraw/zinc/13/61/34/296136134.db2.gz BTKPGECAQMLWCK-SNVBAGLBSA-N -1 0 319.365 2.498 20 10 DECDRM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295266483 403820008 /nfs/dbraw/zinc/82/00/08/403820008.db2.gz HJJKSULFIASVJP-ZDUSSCGKSA-N -1 0 312.772 2.428 20 10 DECDRM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000295328272 403858997 /nfs/dbraw/zinc/85/89/97/403858997.db2.gz PCEUYYXNSCWACI-BMIGLBTASA-N -1 0 311.353 2.418 20 10 DECDRM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](C)S1(=O)=O ZINC000289789188 403998084 /nfs/dbraw/zinc/99/80/84/403998084.db2.gz LUWZVOXTLQLYJV-ZYHUDNBSSA-N -1 0 317.838 2.443 20 10 DECDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296131233 404108228 /nfs/dbraw/zinc/10/82/28/404108228.db2.gz GAMAQPFUYCLJFG-NSHDSACASA-N -1 0 321.308 2.074 20 10 DECDRM O=[N+]([O-])c1ccc([O-])c(CNc2cnc3c(c2)COCC3)c1 ZINC000375034767 227142800 /nfs/dbraw/zinc/14/28/00/227142800.db2.gz BBHGGDPKUAHJSZ-UHFFFAOYSA-N -1 0 301.302 2.380 20 10 DECDRM Cc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000262882008 301080127 /nfs/dbraw/zinc/08/01/27/301080127.db2.gz LSJTVXYWGPQRFE-LBPRGKRZSA-N -1 0 301.346 2.034 20 10 DECDRM CCOCCOC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297725484 535641920 /nfs/dbraw/zinc/64/19/20/535641920.db2.gz SEDGXEOZAURYAB-UHFFFAOYSA-N -1 0 303.761 2.422 20 10 DECDRM CN(C)c1ccc(CN(C(=O)NCCCC(=O)[O-])C2CC2)cc1 ZINC000818391236 597309904 /nfs/dbraw/zinc/30/99/04/597309904.db2.gz ZOPHLBGWELBJAO-UHFFFAOYSA-N -1 0 319.405 2.291 20 10 DECDRM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000821539906 598193731 /nfs/dbraw/zinc/19/37/31/598193731.db2.gz QBEBIPXDJQWCCV-CQSZACIVSA-N -1 0 316.313 2.086 20 10 DECDRM CO[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000319902295 599809078 /nfs/dbraw/zinc/80/90/78/599809078.db2.gz HVZPQXCOIVGPFJ-SMYYYNMVSA-N -1 0 306.318 2.308 20 10 DECDRM COc1ccc(O)c(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738044313 600451444 /nfs/dbraw/zinc/45/14/44/600451444.db2.gz MRHFOPYKXFIWPJ-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CC1(O)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828115925 601860795 /nfs/dbraw/zinc/86/07/95/601860795.db2.gz OGYSDPGPNSLXMI-HYXAFXHYSA-N -1 0 306.318 2.044 20 10 DECDRM CC1CC(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)C1 ZINC000825783615 603920943 /nfs/dbraw/zinc/92/09/43/603920943.db2.gz KYQLLVIBKRSLFP-HGMXIMQMSA-N -1 0 319.405 2.224 20 10 DECDRM O=C([O-])N[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000832136577 603930139 /nfs/dbraw/zinc/93/01/39/603930139.db2.gz UAADVJZKYPHFSP-NSHDSACASA-N -1 0 306.343 2.192 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000830072725 603947019 /nfs/dbraw/zinc/94/70/19/603947019.db2.gz IWOVQRCKSFJSHO-QGZVFWFLSA-N -1 0 319.405 2.067 20 10 DECDRM C[C@@H]1OCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000380429908 604273174 /nfs/dbraw/zinc/27/31/74/604273174.db2.gz WHDSDPYVGONRMK-LJRGRFNSSA-N -1 0 306.318 2.306 20 10 DECDRM Cc1oc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(=O)[O-] ZINC000833027220 604764725 /nfs/dbraw/zinc/76/47/25/604764725.db2.gz PTXWIDXQSRCHCR-HWKANZROSA-N -1 0 318.281 2.454 20 10 DECDRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F ZINC000013362351 625109152 /nfs/dbraw/zinc/10/91/52/625109152.db2.gz PNUZTXVPCIBFGV-UHFFFAOYSA-N -1 0 311.290 2.030 20 10 DECDRM COc1ccc(O)c(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177163679 625867281 /nfs/dbraw/zinc/86/72/81/625867281.db2.gz YSCZAOCDBLAYGE-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM COc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1O ZINC000186880175 636581672 /nfs/dbraw/zinc/58/16/72/636581672.db2.gz USYXHYBCGNGNQT-UHFFFAOYSA-N -1 0 309.268 2.315 20 10 DECDRM Cc1noc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000729683987 640825604 /nfs/dbraw/zinc/82/56/04/640825604.db2.gz IUWGKESPCPISFG-ZCFIWIBFSA-N -1 0 312.713 2.496 20 10 DECDRM CN(C)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769464969 641244703 /nfs/dbraw/zinc/24/47/03/641244703.db2.gz HACGWPIPYUMTSX-UHFFFAOYSA-N -1 0 315.329 2.296 20 10 DECDRM CCn1nccc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000769847085 641301307 /nfs/dbraw/zinc/30/13/07/641301307.db2.gz JKKYDZOADGYMBV-UHFFFAOYSA-N -1 0 324.387 2.420 20 10 DECDRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775699272 642081416 /nfs/dbraw/zinc/08/14/16/642081416.db2.gz CCXXCVLKFQAUKZ-IUCAKERBSA-N -1 0 323.817 2.438 20 10 DECDRM CCC(CC)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000776435245 642172649 /nfs/dbraw/zinc/17/26/49/642172649.db2.gz ZWRNPKJRRYOYBE-UHFFFAOYSA-N -1 0 301.364 2.268 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C(N)=O)C1 ZINC000779203538 642471881 /nfs/dbraw/zinc/47/18/81/642471881.db2.gz DHPRADOKFBSPNK-UFBFGSQYSA-N -1 0 300.761 2.271 20 10 DECDRM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1C(C)=O)C(C)C ZINC000842588589 650771989 /nfs/dbraw/zinc/77/19/89/650771989.db2.gz NCNMTOQYMWTUPM-AWEZNQCLSA-N -1 0 315.391 2.008 20 10 DECDRM CC1(C)CS(=O)(=O)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843408953 650968300 /nfs/dbraw/zinc/96/83/00/650968300.db2.gz MWWSXRXJSCRDFC-UHFFFAOYSA-N -1 0 321.801 2.194 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)c1ccc(C(=O)[O-])nn1 ZINC000910339936 645414070 /nfs/dbraw/zinc/41/40/70/645414070.db2.gz MKNZHCOLIJWTOH-UHFFFAOYSA-N -1 0 300.362 2.267 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@@](F)(CO)C1 ZINC000802661007 645542365 /nfs/dbraw/zinc/54/23/65/645542365.db2.gz DDUZJUQZRMPSIV-LBPRGKRZSA-N -1 0 304.159 2.061 20 10 DECDRM CN1CCCc2cc(CNC(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC000911302061 645673327 /nfs/dbraw/zinc/67/33/27/645673327.db2.gz UBIKPUSXDWKLTB-UHFFFAOYSA-N -1 0 314.341 2.290 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1F ZINC000911352332 645682351 /nfs/dbraw/zinc/68/23/51/645682351.db2.gz JVQLLJFWRNKYQO-OLZOCXBDSA-N -1 0 322.380 2.399 20 10 DECDRM Cc1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c(C)s1 ZINC000911489374 645721969 /nfs/dbraw/zinc/72/19/69/645721969.db2.gz BQBCUFWLGCZCJV-UHFFFAOYSA-N -1 0 320.370 2.193 20 10 DECDRM CCN1C(=O)/C(=C\c2ccc(O)c(C(=O)[O-])c2)SC1=S ZINC000809152223 646193660 /nfs/dbraw/zinc/19/36/60/646193660.db2.gz OOPWEVLUBCGVIJ-UXBLZVDNSA-N -1 0 309.368 2.312 20 10 DECDRM O=C(C1CC1)[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000811502542 646536562 /nfs/dbraw/zinc/53/65/62/646536562.db2.gz XIAJUQNDLHAARG-CYBMUJFWSA-N -1 0 313.756 2.365 20 10 DECDRM O=C1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCCC[C@H]2N1 ZINC000816498877 647142805 /nfs/dbraw/zinc/14/28/05/647142805.db2.gz SQVJNCRXEFOLQU-OLZOCXBDSA-N -1 0 312.772 2.428 20 10 DECDRM CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(O)cc1F ZINC000817356135 647274335 /nfs/dbraw/zinc/27/43/35/647274335.db2.gz FZNKGFUOMLULSR-NSHDSACASA-N -1 0 305.371 2.334 20 10 DECDRM COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825158381 648714658 /nfs/dbraw/zinc/71/46/58/648714658.db2.gz JVFHSDJNCJPGGM-CQSZACIVSA-N -1 0 303.761 2.016 20 10 DECDRM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000830908791 649513271 /nfs/dbraw/zinc/51/32/71/649513271.db2.gz NTNXUYUUNPFINU-JTQLQIEISA-N -1 0 307.281 2.064 20 10 DECDRM CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000844210777 651093318 /nfs/dbraw/zinc/09/33/18/651093318.db2.gz HZUMBUSKPHAPCY-YVZNUBBCSA-N -1 0 320.345 2.290 20 10 DECDRM Cc1nonc1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000846159283 651311915 /nfs/dbraw/zinc/31/19/15/651311915.db2.gz FXVHXMDBKDVBDZ-UHFFFAOYSA-N -1 0 316.144 2.249 20 10 DECDRM COc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000846279567 651319819 /nfs/dbraw/zinc/31/98/19/651319819.db2.gz GEJALLBRNBTTLO-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000846714097 651347830 /nfs/dbraw/zinc/34/78/30/651347830.db2.gz DKWQSSVYGDMODP-AWEZNQCLSA-N -1 0 315.373 2.424 20 10 DECDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000113457271 651729625 /nfs/dbraw/zinc/72/96/25/651729625.db2.gz YBGLMJCTGJCMNG-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000113837793 651820007 /nfs/dbraw/zinc/82/00/07/651820007.db2.gz HKERYUYTCCLVDT-NTEUORMPSA-N -1 0 323.308 2.365 20 10 DECDRM COCc1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[n-]1 ZINC000850360734 651910553 /nfs/dbraw/zinc/91/05/53/651910553.db2.gz OORREJPCLDXXSH-UHFFFAOYSA-N -1 0 317.176 2.253 20 10 DECDRM CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000929042475 693884921 /nfs/dbraw/zinc/88/49/21/693884921.db2.gz FLXOKEOMYQMECG-SMDDNHRTSA-N -1 0 307.394 2.222 20 10 DECDRM CC(C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000929047101 693886048 /nfs/dbraw/zinc/88/60/48/693886048.db2.gz ZUHIPTXGDUQVKB-LBPRGKRZSA-N -1 0 307.394 2.318 20 10 DECDRM COC[C@@]1(C)CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000862552005 686321778 /nfs/dbraw/zinc/32/17/78/686321778.db2.gz RFQNZIMEWOQDGY-CQSZACIVSA-N -1 0 303.761 2.422 20 10 DECDRM COC[C@]1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000862551921 686322138 /nfs/dbraw/zinc/32/21/38/686322138.db2.gz QPYQTLYGNODSSE-AWEZNQCLSA-N -1 0 303.761 2.422 20 10 DECDRM Cc1cc(CNC(=O)N[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1 ZINC000864536905 686748621 /nfs/dbraw/zinc/74/86/21/686748621.db2.gz TUJQKHMSFOCIBS-LBPRGKRZSA-N -1 0 315.373 2.366 20 10 DECDRM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877463335 690120729 /nfs/dbraw/zinc/12/07/29/690120729.db2.gz FSKADHVHOHKGOY-AAEUAGOBSA-N -1 0 311.328 2.240 20 10 DECDRM Cc1c([C@@H](C)NC(=O)NCc2c(O)cccc2F)cnn1C ZINC001334299524 1150263283 /nfs/dbraw/zinc/26/32/83/1150263283.db2.gz XBYGXONJCRVJON-SECBINFHSA-N -1 0 306.341 2.134 20 10 DECDRM CC(C)CC(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001331978812 1149803489 /nfs/dbraw/zinc/80/34/89/1149803489.db2.gz IQOGETSDWKQEIC-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM O=C1COc2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc2N1 ZINC001177391330 794658479 /nfs/dbraw/zinc/65/84/79/794658479.db2.gz GARWTBSQNQEGMP-UHFFFAOYSA-N -1 0 315.285 2.243 20 10 DECDRM O=C(CNC(=O)NCC1CCCCC1)c1ccc(O)c(O)c1 ZINC001186891415 796454096 /nfs/dbraw/zinc/45/40/96/796454096.db2.gz SGNBJRSBEHEZKU-UHFFFAOYSA-N -1 0 306.362 2.160 20 10 DECDRM O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ncc(F)cc1F ZINC001190181885 796956981 /nfs/dbraw/zinc/95/69/81/796956981.db2.gz RXATXMJHEDKAGH-UHFFFAOYSA-N -1 0 322.239 2.144 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)CN1CCOCC1 ZINC001233496380 802134689 /nfs/dbraw/zinc/13/46/89/802134689.db2.gz FUFPYACEEIHJMG-LBPRGKRZSA-N -1 0 323.389 2.180 20 10 DECDRM CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2c1CCC2 ZINC000315523396 802474008 /nfs/dbraw/zinc/47/40/08/802474008.db2.gz KDJLYAGKXNHGQU-BDAKNGLRSA-N -1 0 323.370 2.073 20 10 DECDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001602806517 971589792 /nfs/dbraw/zinc/58/97/92/971589792.db2.gz LSTLNXOICINLGZ-SECBINFHSA-N -1 0 323.304 2.121 20 10 DECDRM O=C([O-])CCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001595018159 951301561 /nfs/dbraw/zinc/30/15/61/951301561.db2.gz PFFZDTUFIDIYOV-GORDUTHDSA-N -1 0 319.357 2.214 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001594645135 956436427 /nfs/dbraw/zinc/43/64/27/956436427.db2.gz NRAXOMLJMJDJOT-UHFFFAOYSA-N -1 0 313.273 2.195 20 10 DECDRM COC(=O)c1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])sc2c1CCC2 ZINC000397292124 968253096 /nfs/dbraw/zinc/25/30/96/968253096.db2.gz IQHJRLCHOKFCMU-JGVFFNPUSA-N -1 0 323.370 2.073 20 10 DECDRM CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000320598931 970683570 /nfs/dbraw/zinc/68/35/70/970683570.db2.gz PLBGADPDZCVZMQ-RNZFLTOJSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001606376417 973829247 /nfs/dbraw/zinc/82/92/47/973829247.db2.gz OQEARMMIICSUKD-MRVPVSSYSA-N -1 0 321.354 2.249 20 10 DECDRM CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001596203376 983590165 /nfs/dbraw/zinc/59/01/65/983590165.db2.gz HSLAHXFKKHJVRV-OAHLLOKOSA-N -1 0 322.405 2.137 20 10 DECDRM CCN(CC(=O)OC)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596228485 983620067 /nfs/dbraw/zinc/62/00/67/983620067.db2.gz LJDYHTXGRQIHFQ-UHFFFAOYSA-N -1 0 322.336 2.011 20 10 DECDRM C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1O ZINC001599840303 988816191 /nfs/dbraw/zinc/81/61/91/988816191.db2.gz MELZAQKJGDPZSG-NTZNESFSSA-N -1 0 306.362 2.396 20 10 DECDRM CN(C)c1cc(COc2ccc(N(C)C)c(C(=O)[O-])c2)ccn1 ZINC001598305312 991258833 /nfs/dbraw/zinc/25/88/33/991258833.db2.gz DLSPGMHGLXLVCL-UHFFFAOYSA-N -1 0 315.373 2.491 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001598320896 991322080 /nfs/dbraw/zinc/32/20/80/991322080.db2.gz ZKLVPGDCDWOJCY-HDJSIYSDSA-N -1 0 304.390 2.260 20 10 DECDRM CN(C)c1ccc(OCC(=O)N2CCCCCC2)cc1C(=O)[O-] ZINC001598328522 991351284 /nfs/dbraw/zinc/35/12/84/991351284.db2.gz QPDVCELYVIZQGP-UHFFFAOYSA-N -1 0 320.389 2.232 20 10 DECDRM CN(Cc1nn(C)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001598539476 992883315 /nfs/dbraw/zinc/88/33/15/992883315.db2.gz MPEMPEFXXCRUFL-UHFFFAOYSA-N -1 0 309.753 2.173 20 10 DECDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccc(N(C)C)cc1 ZINC001593056601 993567888 /nfs/dbraw/zinc/56/78/88/993567888.db2.gz WIOBJRYOERFEJP-ZOWXZIJZSA-N -1 0 319.405 2.318 20 10 DECDRM CNC(=O)c1cccc(CSc2ncc(C(=O)[O-])s2)c1 ZINC001598660228 994583651 /nfs/dbraw/zinc/58/36/51/994583651.db2.gz IECQGEQFUYKGLY-UHFFFAOYSA-N -1 0 308.384 2.493 20 10 DECDRM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC001594169053 998652830 /nfs/dbraw/zinc/65/28/30/998652830.db2.gz ZTHJGEURBIGDIX-WCBMZHEXSA-N -1 0 314.179 2.450 20 10 DECDRM CO[C@H](C)c1noc(CSc2ncc(C(=O)[O-])s2)n1 ZINC001599043509 999134426 /nfs/dbraw/zinc/13/44/26/999134426.db2.gz UOIUNNCOSIUDQL-RXMQYKEDSA-N -1 0 301.349 2.224 20 10 DECDRM C/C(=C\C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cnccn1 ZINC001602951102 1069797197 /nfs/dbraw/zinc/79/71/97/1069797197.db2.gz DZXMBSOXNYBMTN-DHZHZOJOSA-N -1 0 309.325 2.167 20 10 DECDRM CC(C)(C)CCNC(=O)CSc1ncc(C(=O)[O-])s1 ZINC001603333473 1069946296 /nfs/dbraw/zinc/94/62/96/1069946296.db2.gz PEXAFSPNRHJLAR-UHFFFAOYSA-N -1 0 302.421 2.486 20 10 DECDRM COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC001607170296 1071353271 /nfs/dbraw/zinc/35/32/71/1071353271.db2.gz FJQCVQZRAXOTIO-VFZGTOFNSA-N -1 0 324.333 2.159 20 10 DECDRM CN(CC(=O)NCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001462356061 1058812046 /nfs/dbraw/zinc/81/20/46/1058812046.db2.gz ODDCRPBKAFFEPZ-UHFFFAOYSA-N -1 0 320.339 2.419 20 10 DECDRM C[C@H](COc1ccc(F)cc1)NC(=O)c1cccc(O)c1O ZINC001542214490 1072454145 /nfs/dbraw/zinc/45/41/45/1072454145.db2.gz VBTTYCMUJUJGGF-SNVBAGLBSA-N -1 0 305.305 2.434 20 10 DECDRM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccccc2[O-])c1 ZINC001561293557 1075152854 /nfs/dbraw/zinc/15/28/54/1075152854.db2.gz PALVVHDHQPATOD-JTQLQIEISA-N -1 0 323.370 2.146 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600236700 1077167521 /nfs/dbraw/zinc/16/75/21/1077167521.db2.gz KVJPGRYXNZBDHG-YUELXQCFSA-N -1 0 318.417 2.219 20 10 DECDRM O=C([O-])C1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC001601544575 1077410208 /nfs/dbraw/zinc/41/02/08/1077410208.db2.gz VFVBFFRRIMXHCT-UHFFFAOYSA-N -1 0 306.362 2.227 20 10 DECDRM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001602040228 1077497512 /nfs/dbraw/zinc/49/75/12/1077497512.db2.gz KKSMESDIOYKDHT-UHFFFAOYSA-N -1 0 315.325 2.296 20 10 DECDRM O=C([O-])COc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC001602086947 1077504263 /nfs/dbraw/zinc/50/42/63/1077504263.db2.gz PICHYQALPLTLOU-UHFFFAOYSA-N -1 0 316.313 2.177 20 10 DECDRM O=C([O-])c1cc(F)cc(C(=O)NCc2c(O)cccc2F)c1 ZINC001602272333 1077540094 /nfs/dbraw/zinc/54/00/94/1077540094.db2.gz YPEVQNVMPRFURN-UHFFFAOYSA-N -1 0 307.252 2.299 20 10 DECDRM Cc1noc(COc2ccc(N(C)C)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001608028003 1077580335 /nfs/dbraw/zinc/58/03/35/1077580335.db2.gz NLLLMZVIRBUJGO-UHFFFAOYSA-N -1 0 321.289 2.234 20 10 DECDRM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001608704250 1077681144 /nfs/dbraw/zinc/68/11/44/1077681144.db2.gz YRJDQSFBNCELGY-SECBINFHSA-N -1 0 303.330 2.063 20 10 DECDRM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001609835245 1077934166 /nfs/dbraw/zinc/93/41/66/1077934166.db2.gz SZJZWXXWOMHNEY-GMSGAONNSA-N -1 0 314.725 2.249 20 10 DECDRM COc1ccc(O)c(CNC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001610344776 1078006697 /nfs/dbraw/zinc/00/66/97/1078006697.db2.gz UTUIFZWTSJRESZ-UHFFFAOYSA-N -1 0 306.318 2.112 20 10 DECDRM Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC001610476155 1078026579 /nfs/dbraw/zinc/02/65/79/1078026579.db2.gz WISQOJIAQUSSBL-AWEZNQCLSA-N -1 0 307.390 2.500 20 10 DECDRM CC[C@@H](C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCCC2 ZINC001260725786 1144200201 /nfs/dbraw/zinc/20/02/01/1144200201.db2.gz VRTDVACUGBKPPU-MRVPVSSYSA-N -1 0 316.448 2.266 20 10 DECDRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295455603 296220622 /nfs/dbraw/zinc/22/06/22/296220622.db2.gz VLXHKJGPZCVLRK-IUCAKERBSA-N -1 0 323.817 2.438 20 10 DECDRM CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951574 131212267 /nfs/dbraw/zinc/21/22/67/131212267.db2.gz GEZXURYTQKLQFB-MFKMUULPSA-N -1 0 303.399 2.395 20 10 DECDRM Cc1nc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c[nH]1 ZINC000277813704 403259972 /nfs/dbraw/zinc/25/99/72/403259972.db2.gz ZZMLURNRTUIWDH-UHFFFAOYSA-N -1 0 311.363 2.012 20 10 DECDRM CN(Cc1nncn1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290073666 404031012 /nfs/dbraw/zinc/03/10/12/404031012.db2.gz FXWRGQOOKNZNLQ-UHFFFAOYSA-N -1 0 301.177 2.460 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000821368894 598220346 /nfs/dbraw/zinc/22/03/46/598220346.db2.gz ILNLSYBCQSMNMU-YWEYNIOJSA-N -1 0 313.309 2.126 20 10 DECDRM CN(C[C@@H]1CCCO1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000314736664 599954624 /nfs/dbraw/zinc/95/46/24/599954624.db2.gz BGOFZCJPRKVXIP-PZBABLGHSA-N -1 0 306.318 2.308 20 10 DECDRM CN(Cc1ccccc1O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000737494035 600030763 /nfs/dbraw/zinc/03/07/63/600030763.db2.gz HSPQWRABUXUWDZ-UHFFFAOYSA-N -1 0 306.362 2.177 20 10 DECDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000319627371 600105911 /nfs/dbraw/zinc/10/59/11/600105911.db2.gz BJCDIMPHXYKCBD-HZPDHXFCSA-N -1 0 316.401 2.356 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832425333 601210771 /nfs/dbraw/zinc/21/07/71/601210771.db2.gz UXHSPAGUVXKKHP-SDDRHHMPSA-N -1 0 321.373 2.469 20 10 DECDRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000833182484 601271607 /nfs/dbraw/zinc/27/16/07/601271607.db2.gz YFNIJUNFWXGCIB-GHMZBOCLSA-N -1 0 322.324 2.056 20 10 DECDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000736368894 602392885 /nfs/dbraw/zinc/39/28/85/602392885.db2.gz GHAXMRPJTABIKV-HNNXBMFYSA-N -1 0 319.405 2.195 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)CCC2CC2)NC(=O)[O-])cc1 ZINC000828064746 603026649 /nfs/dbraw/zinc/02/66/49/603026649.db2.gz XFGDTXZXIIRPHQ-OAHLLOKOSA-N -1 0 319.405 2.368 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826912310 604219761 /nfs/dbraw/zinc/21/97/61/604219761.db2.gz WPOMZUJTLCASDJ-GFCCVEGCSA-N -1 0 308.378 2.377 20 10 DECDRM C[C@H]1COCCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000399622911 604797766 /nfs/dbraw/zinc/79/77/66/604797766.db2.gz SBTQAVHYYMFPSD-QZPNVGJNSA-N -1 0 306.318 2.308 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000833733771 605708179 /nfs/dbraw/zinc/70/81/79/605708179.db2.gz PMCVKBIHOOWXOZ-SNVBAGLBSA-N -1 0 309.362 2.469 20 10 DECDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000184869495 625350530 /nfs/dbraw/zinc/35/05/30/625350530.db2.gz QAQBUXMTFRYFAH-UHFFFAOYSA-N -1 0 318.354 2.382 20 10 DECDRM O=c1[nH]c2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000191950927 625551574 /nfs/dbraw/zinc/55/15/74/625551574.db2.gz LQRURGNMFPIPAC-UHFFFAOYSA-N -1 0 301.258 2.347 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CSC(=O)N1 ZINC000813683045 623606506 /nfs/dbraw/zinc/60/65/06/623606506.db2.gz RANLNWZEDWFSFX-QMMMGPOBSA-N -1 0 321.185 2.140 20 10 DECDRM CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840832959 650364589 /nfs/dbraw/zinc/36/45/89/650364589.db2.gz OLLTYTXWLJCSPS-LLVKDONJSA-N -1 0 313.741 2.183 20 10 DECDRM CO[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1 ZINC000895964201 638286061 /nfs/dbraw/zinc/28/60/61/638286061.db2.gz UPWGQBACGZJZKA-NSHDSACASA-N -1 0 320.158 2.099 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1csc([N+](=O)[O-])c1 ZINC000728697371 639288170 /nfs/dbraw/zinc/28/81/70/639288170.db2.gz ORYDJMQKUFDSBY-IZZDOVSWSA-N -1 0 315.310 2.118 20 10 DECDRM [O-]c1c(CNC2(c3ncccn3)CCOCC2)ccc(F)c1F ZINC000897362413 639696291 /nfs/dbraw/zinc/69/62/91/639696291.db2.gz OFVIAOAINLEVLX-UHFFFAOYSA-N -1 0 321.327 2.256 20 10 DECDRM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])CCS1(=O)=O ZINC000763625414 640556273 /nfs/dbraw/zinc/55/62/73/640556273.db2.gz IWCHXBFAANGTKH-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM CN1CCO[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000769484931 641248652 /nfs/dbraw/zinc/24/86/52/641248652.db2.gz WUOCLNZOSJVNGL-OLZOCXBDSA-N -1 0 317.216 2.214 20 10 DECDRM CC[C@H]1C(=O)NCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000898557912 641704084 /nfs/dbraw/zinc/70/40/84/641704084.db2.gz KYNBBWVTDAJXSV-LBPRGKRZSA-N -1 0 300.761 2.285 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F ZINC000780418042 642622669 /nfs/dbraw/zinc/62/26/69/642622669.db2.gz RBFPJPXNVBNEBK-UHFFFAOYSA-N -1 0 323.305 2.171 20 10 DECDRM O=C([O-])[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCSC1 ZINC000789898418 643786846 /nfs/dbraw/zinc/78/68/46/643786846.db2.gz UTAAGPUGCWCYHS-LBPRGKRZSA-N -1 0 305.758 2.235 20 10 DECDRM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1nnnn1C1CC1 ZINC000792197470 644088040 /nfs/dbraw/zinc/08/80/40/644088040.db2.gz XGMOQUDXHLJMGY-ZETCQYMHSA-N -1 0 311.748 2.357 20 10 DECDRM CCn1nccc1C[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000793304042 644231325 /nfs/dbraw/zinc/23/13/25/644231325.db2.gz JBZSIGVLAQUQFL-UHFFFAOYSA-N -1 0 309.797 2.257 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCS1 ZINC000911490060 645722546 /nfs/dbraw/zinc/72/25/46/645722546.db2.gz WQFYBWGQIRSXDT-ZDUSSCGKSA-N -1 0 309.387 2.091 20 10 DECDRM CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1SC)OC ZINC000817356082 647274290 /nfs/dbraw/zinc/27/42/90/647274290.db2.gz DHYQLUHPMPOFCU-JTQLQIEISA-N -1 0 305.421 2.281 20 10 DECDRM C[C@@H]1C[C@H](CO)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218163 651094917 /nfs/dbraw/zinc/09/49/17/651094917.db2.gz NMWNJTAOSNJVFS-QIPCVNDGSA-N -1 0 320.345 2.147 20 10 DECDRM O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846103342 651308201 /nfs/dbraw/zinc/30/82/01/651308201.db2.gz ODIWDSMOBHVBBX-RAALSFIWSA-N -1 0 306.214 2.404 20 10 DECDRM CN(Cc1nc(C2CC2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279771 651319848 /nfs/dbraw/zinc/31/98/48/651319848.db2.gz KOFYBSBYXAZZDT-UHFFFAOYSA-N -1 0 303.318 2.047 20 10 DECDRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848582706 651475406 /nfs/dbraw/zinc/47/54/06/651475406.db2.gz PNJRWEDWDBOXLH-IUODEOHRSA-N -1 0 321.421 2.470 20 10 DECDRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848582708 651475666 /nfs/dbraw/zinc/47/56/66/651475666.db2.gz PNJRWEDWDBOXLH-WFASDCNBSA-N -1 0 321.421 2.470 20 10 DECDRM Cc1cc(Br)cc(C[NH2+]C[C@@H](C)C(=O)[O-])c1O ZINC000848637963 651481489 /nfs/dbraw/zinc/48/14/89/651481489.db2.gz NYHJLSLFPSAZSQ-MRVPVSSYSA-N -1 0 302.168 2.273 20 10 DECDRM CCCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000929044364 693885351 /nfs/dbraw/zinc/88/53/51/693885351.db2.gz LZRPVGAPNNUTND-LBPRGKRZSA-N -1 0 307.394 2.320 20 10 DECDRM C[C@@H](NC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929043766 693885592 /nfs/dbraw/zinc/88/55/92/693885592.db2.gz LHXIGRWVZVILTP-PXAZEXFGSA-N -1 0 319.405 2.462 20 10 DECDRM O=C([O-])[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000874050996 689347996 /nfs/dbraw/zinc/34/79/96/689347996.db2.gz ISJOXOIHHASNQZ-SNVBAGLBSA-N -1 0 314.179 2.451 20 10 DECDRM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000874042349 689344129 /nfs/dbraw/zinc/34/41/29/689344129.db2.gz CRNJOWYFMABDMP-CQSZACIVSA-N -1 0 317.744 2.108 20 10 DECDRM CC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)S1(=O)=O ZINC000877521882 690138991 /nfs/dbraw/zinc/13/89/91/690138991.db2.gz KCERESQMURLHJA-KOLCDFICSA-N -1 0 319.373 2.068 20 10 DECDRM O=C([O-])[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001343648494 1150760038 /nfs/dbraw/zinc/76/00/38/1150760038.db2.gz PVCQTZHIVUZDCA-XYPYZODXSA-N -1 0 308.334 2.281 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)c2c[n-]ncc2=O)cc1F ZINC001443755676 1183115469 /nfs/dbraw/zinc/11/54/69/1183115469.db2.gz JLCZBDFCPXCOIT-UHFFFAOYSA-N -1 0 318.352 2.098 20 10 DECDRM Cc1cc(C(=O)[O-])cc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001211545063 777341084 /nfs/dbraw/zinc/34/10/84/777341084.db2.gz QOUXZELIDDYDBI-UHFFFAOYSA-N -1 0 320.370 2.373 20 10 DECDRM C[NH+]1CC2(CN(Cc3cc(Br)c(F)cc3[O-])C2)C1 ZINC001144308242 790856351 /nfs/dbraw/zinc/85/63/51/790856351.db2.gz JUGZJSFDVQTBIT-UHFFFAOYSA-N -1 0 315.186 2.041 20 10 DECDRM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CC2(C1)CC(F)(F)C2 ZINC001147878661 791645422 /nfs/dbraw/zinc/64/54/22/791645422.db2.gz NVJYUBKGSRWSCE-UHFFFAOYSA-N -1 0 319.311 2.037 20 10 DECDRM Cc1cccc(N)c1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147883520 791647375 /nfs/dbraw/zinc/64/73/75/791647375.db2.gz DTAYFUPVRQGVGT-UHFFFAOYSA-N -1 0 308.341 2.309 20 10 DECDRM CCN(Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@@H](C)C(=O)OC ZINC001139130104 796329484 /nfs/dbraw/zinc/32/94/84/796329484.db2.gz QFDYCVVFHSAHCL-NSHDSACASA-N -1 0 319.357 2.190 20 10 DECDRM CN(Cc1nnc2ccccn21)Cc1c(F)ccc(F)c1[O-] ZINC001139685634 796410077 /nfs/dbraw/zinc/41/00/77/796410077.db2.gz QURSBSANTQXDAF-UHFFFAOYSA-N -1 0 304.300 2.345 20 10 DECDRM COC[C@H]1CN(Cc2c([O-])cc(F)cc2F)Cc2cn(C)nc21 ZINC001140581219 796541001 /nfs/dbraw/zinc/54/10/01/796541001.db2.gz NGKYPXUBGYBULU-LLVKDONJSA-N -1 0 323.343 2.150 20 10 DECDRM [O-]c1c(Br)cc(Cl)cc1CN1CC(CO)C1 ZINC001141373136 796662140 /nfs/dbraw/zinc/66/21/40/796662140.db2.gz OLPVCMKQTRKKRF-UHFFFAOYSA-N -1 0 306.587 2.232 20 10 DECDRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc(O)c1O ZINC001189454154 796833927 /nfs/dbraw/zinc/83/39/27/796833927.db2.gz KCCWEBIVFCHFDR-UHFFFAOYSA-N -1 0 315.297 2.318 20 10 DECDRM Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC001193474651 797571366 /nfs/dbraw/zinc/57/13/66/797571366.db2.gz FQKPKYCHOUSABM-HNNXBMFYSA-N -1 0 315.373 2.491 20 10 DECDRM O=C(NCCc1ccc(CO)cc1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634157 797597490 /nfs/dbraw/zinc/59/74/90/797597490.db2.gz QUDPFRWIGQYQOI-UHFFFAOYSA-N -1 0 321.760 2.216 20 10 DECDRM CCN(C)c1ncc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1 ZINC001193605537 797601606 /nfs/dbraw/zinc/60/16/06/797601606.db2.gz HSFAEKJMUCYOGG-UHFFFAOYSA-N -1 0 322.752 2.250 20 10 DECDRM COc1c(C(=O)[O-])cccc1N(CCO)c1ccc(N)cc1 ZINC001211036098 801502150 /nfs/dbraw/zinc/50/21/50/801502150.db2.gz AWSZOBOCOMHIHB-UHFFFAOYSA-N -1 0 302.330 2.106 20 10 DECDRM CC1(C)CN(C2CN(Cc3cccc(Cl)c3[O-])C2)CCO1 ZINC001231912486 801749849 /nfs/dbraw/zinc/74/98/49/801749849.db2.gz ITMLVXIDOCOHKA-UHFFFAOYSA-N -1 0 310.825 2.341 20 10 DECDRM Cc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233454428 802121879 /nfs/dbraw/zinc/12/18/79/802121879.db2.gz UTXFGFYHMSNYBS-UHFFFAOYSA-N -1 0 312.295 2.327 20 10 DECDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001595008376 951231963 /nfs/dbraw/zinc/23/19/63/951231963.db2.gz KUBUTXLUWPXIOU-UJZCVKTISA-N -1 0 319.357 2.357 20 10 DECDRM C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C(=O)[O-] ZINC001589393182 954347839 /nfs/dbraw/zinc/34/78/39/954347839.db2.gz VUJNXUQXGADPAJ-JOYOIKCWSA-N -1 0 318.333 2.032 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001589079701 955843633 /nfs/dbraw/zinc/84/36/33/955843633.db2.gz WBCPHKUUDFCKRZ-NSHDSACASA-N -1 0 321.373 2.180 20 10 DECDRM COC(=O)c1c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000083237733 957820797 /nfs/dbraw/zinc/82/07/97/957820797.db2.gz LTBVGFVOQJAUHM-DTWKUNHWSA-N -1 0 323.370 2.073 20 10 DECDRM CN(C)c1ccc(CN(C(=O)C2(C(=O)[O-])CCC2)C2CC2)cc1 ZINC001604091282 972491701 /nfs/dbraw/zinc/49/17/01/972491701.db2.gz UNKKTQLWYCNRHT-UHFFFAOYSA-N -1 0 316.401 2.499 20 10 DECDRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1O ZINC001260230318 960717166 /nfs/dbraw/zinc/71/71/66/960717166.db2.gz RPHZRKJFCUERMU-JTQLQIEISA-N -1 0 321.354 2.130 20 10 DECDRM CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000320598929 970683082 /nfs/dbraw/zinc/68/30/82/970683082.db2.gz PLBGADPDZCVZMQ-FUEXJSSKSA-N -1 0 306.318 2.308 20 10 DECDRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1O ZINC001599894959 984741325 /nfs/dbraw/zinc/74/13/25/984741325.db2.gz LAJDBIMQONDYMV-JTQLQIEISA-N -1 0 315.329 2.297 20 10 DECDRM CN(C)c1ccc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001598317935 991309536 /nfs/dbraw/zinc/30/95/36/991309536.db2.gz OBVNUQUVIFRYNY-UHFFFAOYSA-N -1 0 312.369 2.310 20 10 DECDRM O=C([O-])c1ccc2c(c1)N(C(=O)c1cccc(O)c1O)CCC2 ZINC001602422563 1069633827 /nfs/dbraw/zinc/63/38/27/1069633827.db2.gz CBCFCDURWSZFBX-UHFFFAOYSA-N -1 0 313.309 2.389 20 10 DECDRM O=C([O-])c1cnc(SCc2nnc3n2CCCCC3)s1 ZINC001602535155 1069665924 /nfs/dbraw/zinc/66/59/24/1069665924.db2.gz UBNJAHTWAKWCIQ-UHFFFAOYSA-N -1 0 310.404 2.452 20 10 DECDRM C/C(=C/C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cnccn1 ZINC001602951214 1069797129 /nfs/dbraw/zinc/79/71/29/1069797129.db2.gz INDQOPWGTCUWIX-BIRHUZIMSA-N -1 0 309.325 2.095 20 10 DECDRM CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1cc(C(=O)[O-])on1 ZINC001603682172 1070041727 /nfs/dbraw/zinc/04/17/27/1070041727.db2.gz QTNFVMSIKVEWTJ-UHFFFAOYSA-N -1 0 312.272 2.382 20 10 DECDRM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001604350576 1070344252 /nfs/dbraw/zinc/34/42/52/1070344252.db2.gz WOXHHEXARXJVBZ-JTQLQIEISA-N -1 0 318.377 2.288 20 10 DECDRM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(O)c1 ZINC001605690796 1070839897 /nfs/dbraw/zinc/83/98/97/1070839897.db2.gz QXJZXTPDDXJSKS-SGIREYDYSA-N -1 0 305.374 2.476 20 10 DECDRM CN(C)c1nc(CSc2ncc(C(=O)[O-])s2)ns1 ZINC001606078398 1071038856 /nfs/dbraw/zinc/03/88/56/1071038856.db2.gz AUDMXFAANCCAOW-UHFFFAOYSA-N -1 0 302.406 2.051 20 10 DECDRM CN(Cc1cn2ccsc2n1)c1ccc(OCC(=O)[O-])cc1 ZINC001606173056 1071063219 /nfs/dbraw/zinc/06/32/19/1071063219.db2.gz ITZGVAQJKQBZDT-UHFFFAOYSA-N -1 0 317.370 2.496 20 10 DECDRM O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610742151 1078070851 /nfs/dbraw/zinc/07/08/51/1078070851.db2.gz NNWLNRZADAUORR-ZJUUUORDSA-N -1 0 314.725 2.297 20 10 DECDRM C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001637925220 1078540033 /nfs/dbraw/zinc/54/00/33/1078540033.db2.gz BIYLJCKPWFGSKE-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM CC[C@H]([NH2+][C@H](C)CSC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590461347 1076630412 /nfs/dbraw/zinc/63/04/12/1076630412.db2.gz BEYCZQQLOOLVFX-SKDRFNHKSA-N -1 0 307.423 2.365 20 10 DECDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c(O)c1O ZINC001600335708 1077182523 /nfs/dbraw/zinc/18/25/23/1077182523.db2.gz XYWPPPJLIKOOQD-SNVBAGLBSA-N -1 0 307.327 2.023 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001601154943 1077349244 /nfs/dbraw/zinc/34/92/44/1077349244.db2.gz CSEKUTURUGGUKR-GFCCVEGCSA-N -1 0 318.333 2.318 20 10 DECDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001601238855 1077363928 /nfs/dbraw/zinc/36/39/28/1077363928.db2.gz PMPGUMWTJBAEBX-HYOAPIGFSA-N -1 0 319.357 2.261 20 10 DECDRM Nc1ccc(CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001608273061 1077619003 /nfs/dbraw/zinc/61/90/03/1077619003.db2.gz PMRGEBXWXLYMAQ-UHFFFAOYSA-N -1 0 304.390 2.495 20 10 DECDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)C1CCOCC1 ZINC001609804499 1077927317 /nfs/dbraw/zinc/92/73/17/1077927317.db2.gz DPUQNLAWVWMQLH-ZETCQYMHSA-N -1 0 301.389 2.318 20 10 DECDRM CCS(=O)(=O)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001664470565 1080913392 /nfs/dbraw/zinc/91/33/92/1080913392.db2.gz HPXPQLVRQDOKSW-UHFFFAOYSA-N -1 0 317.838 2.445 20 10 DECDRM [O-]c1c(Cl)cccc1C[NH2+]Cc1nnc(C(F)(F)F)[n-]1 ZINC001665965296 1081104159 /nfs/dbraw/zinc/10/41/59/1081104159.db2.gz IIVCZMSKFPUORA-UHFFFAOYSA-N -1 0 306.675 2.472 20 10 DECDRM O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001276943194 1083691387 /nfs/dbraw/zinc/69/13/87/1083691387.db2.gz PYCCXGCIYVRUSU-APPDUMDISA-N -1 0 320.339 2.033 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC2(CC(O)C2)C1 ZINC001235293673 1084375490 /nfs/dbraw/zinc/37/54/90/1084375490.db2.gz AOZDDFNCNMPBKU-UHFFFAOYSA-N -1 0 316.170 2.251 20 10 DECDRM Nc1ccc(N(CCO)c2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513366 1086253332 /nfs/dbraw/zinc/25/33/32/1086253332.db2.gz NDKCNQCSCBDKGS-UHFFFAOYSA-N -1 0 308.284 2.376 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CC(N2CC[C@H](F)C2)C1 ZINC001237622196 1138719957 /nfs/dbraw/zinc/71/99/57/1138719957.db2.gz OKJRAPQAMSCKTD-NSHDSACASA-N -1 0 302.752 2.413 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1ccc(F)cc1F ZINC001255977318 1143818733 /nfs/dbraw/zinc/81/87/33/1143818733.db2.gz RZIYBGALNNCELQ-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1ccc(F)cc1F ZINC001256061789 1143826581 /nfs/dbraw/zinc/82/65/81/1143826581.db2.gz GIDQEZMLBYAVMT-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM C[C@@H]1C[C@H]1c1nnc(-c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001256647456 1143859845 /nfs/dbraw/zinc/85/98/45/1143859845.db2.gz PYFASPRVRYMMKA-HTRCEHHLSA-N -1 0 300.270 2.378 20 10 DECDRM C[C@@H]1C[C@@H]1c1nnc(-c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001256647458 1143859875 /nfs/dbraw/zinc/85/98/75/1143859875.db2.gz PYFASPRVRYMMKA-SVRRBLITSA-N -1 0 300.270 2.378 20 10 DECDRM Cc1c(O)ccc([N-]S(=O)(=O)c2cccc3nonc32)c1C ZINC001260440996 1144187325 /nfs/dbraw/zinc/18/73/25/1144187325.db2.gz GACZNUDTASZHCI-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001354084281 1151871027 /nfs/dbraw/zinc/87/10/27/1151871027.db2.gz WDCDWNKLKKMHTR-DGCLKSJQSA-N -1 0 309.337 2.334 20 10 DECDRM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)N1CCCC1 ZINC000213388045 402279732 /nfs/dbraw/zinc/27/97/32/402279732.db2.gz QURKNILKIFCHBJ-UHFFFAOYSA-N -1 0 311.190 2.452 20 10 DECDRM CCCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000184884664 402307045 /nfs/dbraw/zinc/30/70/45/402307045.db2.gz WVUXWMQHJDVFTB-UHFFFAOYSA-N -1 0 315.373 2.426 20 10 DECDRM C[C@H](NCc1ncn(C)n1)c1cc(Br)ccc1O ZINC000186213837 402411238 /nfs/dbraw/zinc/41/12/38/402411238.db2.gz IXEXDVHTMTYNEH-QMMMGPOBSA-N -1 0 311.183 2.134 20 10 DECDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000267486485 534015473 /nfs/dbraw/zinc/01/54/73/534015473.db2.gz VMOJAUUJQXUXJH-UHFFFAOYSA-N -1 0 309.391 2.354 20 10 DECDRM COc1ccc(-n2c(C)cc(C(=O)NCCC(=O)[O-])c2C)cc1 ZINC000237304024 597113930 /nfs/dbraw/zinc/11/39/30/597113930.db2.gz QPDJYBPBSNOBDD-UHFFFAOYSA-N -1 0 316.357 2.307 20 10 DECDRM O=C([O-])c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756302374 598194127 /nfs/dbraw/zinc/19/41/27/598194127.db2.gz RVNZHOIFXRNIIL-UHFFFAOYSA-N -1 0 302.286 2.288 20 10 DECDRM COc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1O ZINC000738104338 599780761 /nfs/dbraw/zinc/78/07/61/599780761.db2.gz JQRRSLJCSTUZTL-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737089560 600063046 /nfs/dbraw/zinc/06/30/46/600063046.db2.gz YULGPHZWGIBRLY-GJZGRUSLSA-N -1 0 304.390 2.212 20 10 DECDRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000827247507 602298978 /nfs/dbraw/zinc/29/89/78/602298978.db2.gz NLYWDYGHFRJWNR-TZMCWYRMSA-N -1 0 321.373 2.011 20 10 DECDRM C[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(=O)[O-] ZINC000824664387 603421905 /nfs/dbraw/zinc/42/19/05/603421905.db2.gz KLYACEXBNNAJKS-ZDUSSCGKSA-N -1 0 319.405 2.339 20 10 DECDRM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1O ZINC000148135924 604827579 /nfs/dbraw/zinc/82/75/79/604827579.db2.gz AUXRQVFNXYKZQA-UHFFFAOYSA-N -1 0 307.327 2.200 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000738042417 605156078 /nfs/dbraw/zinc/15/60/78/605156078.db2.gz VAVHWPDODXMZAV-MFKMUULPSA-N -1 0 324.377 2.260 20 10 DECDRM O=C([O-])NCc1ccc2c(c1)CCCN2CCCn1ccnc1 ZINC000834247553 606003629 /nfs/dbraw/zinc/00/36/29/606003629.db2.gz ODHJMVSUWLDKEI-UHFFFAOYSA-N -1 0 314.389 2.494 20 10 DECDRM O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2[nH]cnc2C1 ZINC000890761465 623200457 /nfs/dbraw/zinc/20/04/57/623200457.db2.gz SUYLGNFCJWYYHY-SECBINFHSA-N -1 0 305.765 2.190 20 10 DECDRM O=C(c1ccco1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893871919 636051692 /nfs/dbraw/zinc/05/16/92/636051692.db2.gz NRPPQYVWIIZQAX-UHFFFAOYSA-N -1 0 322.311 2.221 20 10 DECDRM O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1)C1CC1 ZINC000893920605 636065325 /nfs/dbraw/zinc/06/53/25/636065325.db2.gz UKHIRTBXVLZFPL-UHFFFAOYSA-N -1 0 310.344 2.161 20 10 DECDRM Cc1ccnc(NC(=O)CN(C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000893987379 636085021 /nfs/dbraw/zinc/08/50/21/636085021.db2.gz VOIKFEVQTYXMHC-UHFFFAOYSA-N -1 0 321.327 2.444 20 10 DECDRM O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000923973594 636758653 /nfs/dbraw/zinc/75/86/53/636758653.db2.gz QSPYBRKSPLADHP-PGUXBMHVSA-N -1 0 308.353 2.288 20 10 DECDRM O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894533750 637094457 /nfs/dbraw/zinc/09/44/57/637094457.db2.gz OYXUEKWFJKLWRV-GXTWGEPZSA-N -1 0 311.328 2.240 20 10 DECDRM CN(Cc1ncnn1CC(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000894589031 637118401 /nfs/dbraw/zinc/11/84/01/637118401.db2.gz IBGLEDWEHBYLFW-UHFFFAOYSA-N -1 0 318.274 2.159 20 10 DECDRM O=C1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCC[C@H]2N1 ZINC000775665820 642075805 /nfs/dbraw/zinc/07/58/05/642075805.db2.gz KRRLLEXMHFLMGX-CHWSQXEVSA-N -1 0 312.772 2.428 20 10 DECDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000776744892 642203153 /nfs/dbraw/zinc/20/31/53/642203153.db2.gz QISDIXVHVSSBTA-UHFFFAOYSA-N -1 0 324.314 2.115 20 10 DECDRM CC(C)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000780399761 642620274 /nfs/dbraw/zinc/62/02/74/642620274.db2.gz AGVRCZOEWZBQKZ-OAHLLOKOSA-N -1 0 319.405 2.195 20 10 DECDRM O=C([O-])[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000780401945 642621246 /nfs/dbraw/zinc/62/12/46/642621246.db2.gz URZSYJJVQCJYNN-HNNXBMFYSA-N -1 0 317.389 2.045 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC000901948631 642839262 /nfs/dbraw/zinc/83/92/62/642839262.db2.gz YCYLLEPOTWSGMV-UHFFFAOYSA-N -1 0 323.374 2.123 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788280932 643586516 /nfs/dbraw/zinc/58/65/16/643586516.db2.gz BAHIMZXDNHQTQZ-UHFFFAOYSA-N -1 0 302.286 2.278 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000790416132 643849871 /nfs/dbraw/zinc/84/98/71/643849871.db2.gz RXJXCXNZIKOYPE-UHFFFAOYSA-N -1 0 319.342 2.292 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1O ZINC000797819932 644927234 /nfs/dbraw/zinc/92/72/34/644927234.db2.gz XHKHVLUGRKEVGD-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000910362431 645423385 /nfs/dbraw/zinc/42/33/85/645423385.db2.gz KZFDKIBCYGDHRK-ZBBQIYFKSA-N -1 0 318.329 2.308 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CSC(F)(F)F ZINC000911485168 645720961 /nfs/dbraw/zinc/72/09/61/645720961.db2.gz GWHSDEIIYUPGBQ-UHFFFAOYSA-N -1 0 323.292 2.058 20 10 DECDRM CCC(C)(C)OCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911489218 645721570 /nfs/dbraw/zinc/72/15/70/645721570.db2.gz RHOJYZBOODBJOT-UHFFFAOYSA-N -1 0 309.362 2.011 20 10 DECDRM CC[C@@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCO1 ZINC000911490112 645722448 /nfs/dbraw/zinc/72/24/48/645722448.db2.gz YBWSVOIRBFPSGU-TZMCWYRMSA-N -1 0 321.373 2.011 20 10 DECDRM COc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(O)c1 ZINC000911717470 645791708 /nfs/dbraw/zinc/79/17/08/645791708.db2.gz KNYRVDRUMAMBLH-UHFFFAOYSA-N -1 0 319.357 2.052 20 10 DECDRM CCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2Cl)nc1C ZINC000070334320 648906125 /nfs/dbraw/zinc/90/61/25/648906125.db2.gz RBJLKKAOPLPFDD-UHFFFAOYSA-N -1 0 315.782 2.371 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844208755 651092324 /nfs/dbraw/zinc/09/23/24/651092324.db2.gz HAHYBNFRNIKTDY-XCWSRWAASA-N -1 0 318.329 2.308 20 10 DECDRM C[C@H](O)C[C@@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211297 651093480 /nfs/dbraw/zinc/09/34/80/651093480.db2.gz YHXRXOZBVHGGHW-YQCLLZEUSA-N -1 0 320.345 2.432 20 10 DECDRM COc1ccc(N(C)Cc2ccc(C(=O)[O-])cn2)cc1OC ZINC000846242590 651317744 /nfs/dbraw/zinc/31/77/44/651317744.db2.gz SETSCUUUHAYNLG-UHFFFAOYSA-N -1 0 302.330 2.433 20 10 DECDRM CN(Cc1ncnn1C(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279784 651319920 /nfs/dbraw/zinc/31/99/20/651319920.db2.gz KXYPJAGOKHUQRW-UHFFFAOYSA-N -1 0 318.377 2.133 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1F ZINC000852945946 652482553 /nfs/dbraw/zinc/48/25/53/652482553.db2.gz KRFSZUJHSXBQHU-OAHLLOKOSA-N -1 0 322.380 2.399 20 10 DECDRM COc1c(NCc2ccc(F)c(F)c2[O-])cccc1C(N)=O ZINC000864033889 686604265 /nfs/dbraw/zinc/60/42/65/686604265.db2.gz LPMLQNNQKWKZKG-UHFFFAOYSA-N -1 0 308.284 2.390 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)ns1 ZINC000872366856 688988600 /nfs/dbraw/zinc/98/86/00/688988600.db2.gz KPLIRFXBLLLTFT-UHFFFAOYSA-N -1 0 314.388 2.357 20 10 DECDRM CCC(CC)CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872891591 689113930 /nfs/dbraw/zinc/11/39/30/689113930.db2.gz SARVRGMAOYGJQG-UHFFFAOYSA-N -1 0 322.405 2.139 20 10 DECDRM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000874042348 689344533 /nfs/dbraw/zinc/34/45/33/689344533.db2.gz CRNJOWYFMABDMP-AWEZNQCLSA-N -1 0 317.744 2.108 20 10 DECDRM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876561986 689857503 /nfs/dbraw/zinc/85/75/03/689857503.db2.gz MKPFBQSMKAYBKT-NSHDSACASA-N -1 0 317.357 2.151 20 10 DECDRM Cc1nc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cn1C ZINC000882799227 691364052 /nfs/dbraw/zinc/36/40/52/691364052.db2.gz USVJDXJUIBITSR-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM CCCOc1ccc(C[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC001332476602 1149862865 /nfs/dbraw/zinc/86/28/65/1149862865.db2.gz OMNIZGYKJSNHNM-ZDUSSCGKSA-N -1 0 309.362 2.191 20 10 DECDRM C[C@]1(C(=O)[O-])C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC001332029983 1149810028 /nfs/dbraw/zinc/81/00/28/1149810028.db2.gz LRUNONVWEDPYHC-XLKFXECMSA-N -1 0 317.744 2.297 20 10 DECDRM Cc1ccc([C@@H](C)NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nc1 ZINC001147889292 791639461 /nfs/dbraw/zinc/63/94/61/791639461.db2.gz FFVPIVKLQLUTFE-CYBMUJFWSA-N -1 0 322.368 2.360 20 10 DECDRM Cc1cc(F)ncc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878605 791644601 /nfs/dbraw/zinc/64/46/01/791644601.db2.gz LNYDDAYESOWZDQ-UHFFFAOYSA-N -1 0 312.304 2.261 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001118221671 795166850 /nfs/dbraw/zinc/16/68/50/795166850.db2.gz HFFQAHKSVCUFMJ-MRKPZDFFSA-N -1 0 318.329 2.044 20 10 DECDRM COC1(C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(=O)[O-])CCC1 ZINC001119612245 795330003 /nfs/dbraw/zinc/33/00/03/795330003.db2.gz YIHZNONCBCRLGU-GFCCVEGCSA-N -1 0 315.316 2.172 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(c2nccs2)CC1 ZINC001139685555 796409805 /nfs/dbraw/zinc/40/98/05/796409805.db2.gz NVWWLSOQWCEPKU-UHFFFAOYSA-N -1 0 311.357 2.449 20 10 DECDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001189235557 796788604 /nfs/dbraw/zinc/78/86/04/796788604.db2.gz OQOKFLRCDSJRHG-UHFFFAOYSA-N -1 0 321.354 2.404 20 10 DECDRM O=C(NCc1cnc(Cl)cn1)c1cc(O)c([O-])c(Cl)c1 ZINC001193635222 797597734 /nfs/dbraw/zinc/59/77/34/797597734.db2.gz QMSTVYCPYSRZCD-UHFFFAOYSA-N -1 0 314.128 2.125 20 10 DECDRM O=C(NCC1Oc2ccccc2O1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634575 797597791 /nfs/dbraw/zinc/59/77/91/797597791.db2.gz YFXUWUJXHDOEHG-UHFFFAOYSA-N -1 0 321.716 2.279 20 10 DECDRM O=C(CNC(=O)c1cc(O)c([O-])c(Cl)c1)Cc1ccccc1 ZINC001193633821 797597898 /nfs/dbraw/zinc/59/78/98/797597898.db2.gz HWXRROGZMKLKJR-UHFFFAOYSA-N -1 0 319.744 2.293 20 10 DECDRM O=C([O-])c1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC001197126658 798151274 /nfs/dbraw/zinc/15/12/74/798151274.db2.gz AZNFCUPRVVNZPD-UHFFFAOYSA-N -1 0 305.334 2.406 20 10 DECDRM O=C([O-])c1ccc(O)c(CN2CCOC[C@H]2c2cccnc2)c1 ZINC001231565708 801688451 /nfs/dbraw/zinc/68/84/51/801688451.db2.gz AKFZYYFHUICYHP-HNNXBMFYSA-N -1 0 314.341 2.059 20 10 DECDRM O=C1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1O ZINC001233455017 802121932 /nfs/dbraw/zinc/12/19/32/802121932.db2.gz SHVBSWKOEQVUDY-TXEJJXNPSA-N -1 0 315.291 2.343 20 10 DECDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C)C(C)C)c1[O-] ZINC001227620696 803262256 /nfs/dbraw/zinc/26/22/56/803262256.db2.gz QBWFPEQYUJIYAI-ZETCQYMHSA-N -1 0 302.348 2.450 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC(=O)[O-] ZINC001600185643 970774671 /nfs/dbraw/zinc/77/46/71/970774671.db2.gz LRKMMAJASLYDQG-UHFFFAOYSA-N -1 0 314.341 2.063 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)C(CC)(CC)C(=O)[O-] ZINC001590345447 950903554 /nfs/dbraw/zinc/90/35/54/950903554.db2.gz CIIJRNRKXUDXMT-UHFFFAOYSA-N -1 0 314.378 2.385 20 10 DECDRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC001594919121 954793319 /nfs/dbraw/zinc/79/33/19/954793319.db2.gz BALCVOWRBZOBMG-IYKSTZQJSA-N -1 0 324.336 2.406 20 10 DECDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001574332968 960897800 /nfs/dbraw/zinc/89/78/00/960897800.db2.gz JEPLJWQLBGMGOL-BLLLJJGKSA-N -1 0 318.417 2.219 20 10 DECDRM O=C([O-])CC1(CNC(=O)c2cccc(O)c2O)CCCCC1 ZINC000318310196 970425460 /nfs/dbraw/zinc/42/54/60/970425460.db2.gz PAJZTLPWJPKKFW-UHFFFAOYSA-N -1 0 307.346 2.253 20 10 DECDRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1O ZINC001599839420 988799264 /nfs/dbraw/zinc/79/92/64/988799264.db2.gz LAJDBIMQONDYMV-SNVBAGLBSA-N -1 0 315.329 2.297 20 10 DECDRM C[C@@H]1CC[C@H](O)CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599848260 988970043 /nfs/dbraw/zinc/97/00/43/988970043.db2.gz XECSUHWJDMGPSU-STBQQDIQSA-N -1 0 306.318 2.042 20 10 DECDRM C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598507535 992526117 /nfs/dbraw/zinc/52/61/17/992526117.db2.gz OJQFWHFZXBXZIP-CYBMUJFWSA-N -1 0 315.316 2.125 20 10 DECDRM COCCc1nsc(Sc2ncc(C(=O)[O-])s2)n1 ZINC001599265478 998460335 /nfs/dbraw/zinc/46/03/35/998460335.db2.gz MLLUOIPHBXSNJZ-UHFFFAOYSA-N -1 0 303.390 2.033 20 10 DECDRM C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC001604811147 1070503685 /nfs/dbraw/zinc/50/36/85/1070503685.db2.gz AOLGKKREBZXXEK-GFAPAMAISA-N -1 0 304.302 2.108 20 10 DECDRM CCN(C)c1ccc(CN2CCc3[nH]nc(C(=O)[O-])c3C2)cc1 ZINC001605410596 1070705655 /nfs/dbraw/zinc/70/56/55/1070705655.db2.gz FVWYQLBQULEAQG-UHFFFAOYSA-N -1 0 314.389 2.122 20 10 DECDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1O ZINC001607422278 1071439606 /nfs/dbraw/zinc/43/96/06/1071439606.db2.gz SYGJTAWCFSRCSG-BLUODKFWSA-N -1 0 318.373 2.252 20 10 DECDRM C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC(=O)[O-] ZINC001607435423 1071441785 /nfs/dbraw/zinc/44/17/85/1071441785.db2.gz CUUMLEYUWTYQPN-MWLCHTKSSA-N -1 0 318.333 2.032 20 10 DECDRM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610763462 1078073265 /nfs/dbraw/zinc/07/32/65/1078073265.db2.gz QUKHGQZFSLXJMM-JTQLQIEISA-N -1 0 314.725 2.393 20 10 DECDRM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnnn1C ZINC001621095630 1078169132 /nfs/dbraw/zinc/16/91/32/1078169132.db2.gz OGFKCYWCZVUSHR-ZCFIWIBFSA-N -1 0 302.165 2.073 20 10 DECDRM Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(O)c1O ZINC001600334432 1077182046 /nfs/dbraw/zinc/18/20/46/1077182046.db2.gz ZBHHBGBLQIHIQI-UHFFFAOYSA-N -1 0 313.309 2.307 20 10 DECDRM Cc1ccc(/C=C/C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001600397708 1077193890 /nfs/dbraw/zinc/19/38/90/1077193890.db2.gz JUOAXFWJWYZLQG-ROJDOSBLSA-N -1 0 324.336 2.282 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1ccc2c(c1)CCNC2=O ZINC001600832787 1077283855 /nfs/dbraw/zinc/28/38/55/1077283855.db2.gz YARBBLKUOFBEDO-UHFFFAOYSA-N -1 0 301.298 2.151 20 10 DECDRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001601239298 1077363583 /nfs/dbraw/zinc/36/35/83/1077363583.db2.gz WOQWYSCCXVZGON-QHHAFSJGSA-N -1 0 319.338 2.187 20 10 DECDRM O=C([O-])C1=CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001601740171 1077443711 /nfs/dbraw/zinc/44/37/11/1077443711.db2.gz JBWCEFDUEIALMG-JTQLQIEISA-N -1 0 312.163 2.418 20 10 DECDRM O=C([O-])CC1([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC001601936806 1077479175 /nfs/dbraw/zinc/47/91/75/1077479175.db2.gz RBWMIFFJCNQYHW-UHFFFAOYSA-N -1 0 300.152 2.252 20 10 DECDRM O=C([O-])CCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001608710734 1077682672 /nfs/dbraw/zinc/68/26/72/1077682672.db2.gz LXPFQZAQUBPGKY-VQHVLOKHSA-N -1 0 307.346 2.262 20 10 DECDRM CN(C(=O)/C=C\c1cccnc1)c1ccc(OCC(=O)[O-])cc1 ZINC001610089348 1077979246 /nfs/dbraw/zinc/97/92/46/1077979246.db2.gz OSRIBNOIBVJKRW-WTKPLQERSA-N -1 0 312.325 2.221 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C(=O)[O-])C2CC2)c1 ZINC001610431990 1078019120 /nfs/dbraw/zinc/01/91/20/1078019120.db2.gz DPCQKLYMIKWTRY-LLVKDONJSA-N -1 0 314.179 2.416 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CC(N2CC[C@H](F)C2)C1 ZINC001237798255 1080491856 /nfs/dbraw/zinc/49/18/56/1080491856.db2.gz CNXBQYRNVSTZDU-JTQLQIEISA-N -1 0 302.752 2.413 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC001351743304 1151605145 /nfs/dbraw/zinc/60/51/45/1151605145.db2.gz WJKJJZPMOVXVOA-MNOVXSKESA-N -1 0 320.172 2.421 20 10 DECDRM [O-]c1c(Cl)cc(F)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC001237804796 1138794596 /nfs/dbraw/zinc/79/45/96/1138794596.db2.gz HAOQZWMRRZFHFZ-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM O=S(=O)(NC1CC(F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387962 1142426099 /nfs/dbraw/zinc/42/60/99/1142426099.db2.gz UDHHAGASKWXYAR-UHFFFAOYSA-N -1 0 314.165 2.478 20 10 DECDRM O=S(=O)(N[C@@H]1C[C@H]1F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251436392 1142432037 /nfs/dbraw/zinc/43/20/37/1142432037.db2.gz DWFSRNSIVTXHQL-RNFRBKRXSA-N -1 0 300.138 2.088 20 10 DECDRM CCCS(=O)(=O)[N-]c1sc2c(c1C(N)=O)C[C@H](C)CC2 ZINC001253634058 1142886055 /nfs/dbraw/zinc/88/60/55/1142886055.db2.gz GXQJLKXWUUUTCD-MRVPVSSYSA-N -1 0 316.448 2.124 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1c(F)cc(F)cc1F ZINC001260353914 1144185783 /nfs/dbraw/zinc/18/57/83/1144185783.db2.gz KMFLJVFLXNMSAN-UHFFFAOYSA-N -1 0 319.260 2.316 20 10 DECDRM O=S(=O)([N-]c1cccc2ocnc21)c1cccc2nonc21 ZINC001260440925 1144187245 /nfs/dbraw/zinc/18/72/45/1144187245.db2.gz ZJDLFJZJWUICIC-UHFFFAOYSA-N -1 0 316.298 2.165 20 10 DECDRM C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC001260440767 1144187317 /nfs/dbraw/zinc/18/73/17/1144187317.db2.gz KUXUMZTVQCUQBK-SECBINFHSA-N -1 0 319.342 2.077 20 10 DECDRM CCn1c(C)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1C ZINC000033311675 401889978 /nfs/dbraw/zinc/88/99/78/401889978.db2.gz KTTGDCQTQWQTSC-WDZFZDKYSA-N -1 0 324.427 2.411 20 10 DECDRM CN(C)c1ccc(CN(C(=O)CSCC(=O)[O-])C2CC2)cc1 ZINC000739617227 597086319 /nfs/dbraw/zinc/08/63/19/597086319.db2.gz FNCFSYQTOJFURY-UHFFFAOYSA-N -1 0 322.430 2.061 20 10 DECDRM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000821541305 598193536 /nfs/dbraw/zinc/19/35/36/598193536.db2.gz QBEBIPXDJQWCCV-AWEZNQCLSA-N -1 0 316.313 2.086 20 10 DECDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000739625344 599779120 /nfs/dbraw/zinc/77/91/20/599779120.db2.gz OXLJFGZPLUMQKE-BPJJOFIESA-N -1 0 320.345 2.291 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NCCCCCC(=O)[O-])c1 ZINC000738040581 600125296 /nfs/dbraw/zinc/12/52/96/600125296.db2.gz ALXWKRXIAQGLMW-NSHDSACASA-N -1 0 324.377 2.406 20 10 DECDRM CN(CCn1cccn1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737454564 600240824 /nfs/dbraw/zinc/24/08/24/600240824.db2.gz UUKQQZIDKKQZRO-XQRVVYSFSA-N -1 0 316.317 2.026 20 10 DECDRM CN(Cc1cnccn1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737497197 600397152 /nfs/dbraw/zinc/39/71/52/600397152.db2.gz SRCNFGROYRROOO-HWKANZROSA-N -1 0 314.301 2.119 20 10 DECDRM COc1cccc(CNC(=O)c2cccc(NC(=O)[O-])c2)c1O ZINC000738104620 602163339 /nfs/dbraw/zinc/16/33/39/602163339.db2.gz LPVAXVAHAIUOAB-UHFFFAOYSA-N -1 0 316.313 2.421 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826912177 603871350 /nfs/dbraw/zinc/87/13/50/603871350.db2.gz SAWWUYQAEHOTTC-INIZCTEOSA-N -1 0 324.352 2.223 20 10 DECDRM CCCC[C@H](CNC(=O)[O-])NC(=O)N(C)Cc1ccccc1O ZINC000826789163 603897735 /nfs/dbraw/zinc/89/77/35/603897735.db2.gz QZJYGMDZEACTFB-CYBMUJFWSA-N -1 0 323.393 2.360 20 10 DECDRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000833095386 604765792 /nfs/dbraw/zinc/76/57/92/604765792.db2.gz SLPRTRCLRUFNTM-QHHAFSJGSA-N -1 0 304.254 2.146 20 10 DECDRM O=C([O-])Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000833291791 604918465 /nfs/dbraw/zinc/91/84/65/604918465.db2.gz SWWOUSLCQMMMQT-UHFFFAOYSA-N -1 0 302.286 2.118 20 10 DECDRM O=C([O-])Nc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1F ZINC000834253196 605549651 /nfs/dbraw/zinc/54/96/51/605549651.db2.gz KVPTYUANKVRBGW-UHFFFAOYSA-N -1 0 320.276 2.257 20 10 DECDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000318740201 625364827 /nfs/dbraw/zinc/36/48/27/625364827.db2.gz WCQZEMWFUWTSIW-UHFFFAOYSA-N -1 0 321.354 2.288 20 10 DECDRM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000013079269 625084728 /nfs/dbraw/zinc/08/47/28/625084728.db2.gz MBDDUWWINNSHTD-UHFFFAOYSA-N -1 0 321.354 2.210 20 10 DECDRM [O-]c1c(F)cc(F)cc1CN1CCN(Cc2ccccn2)CC1 ZINC000893913740 636064097 /nfs/dbraw/zinc/06/40/97/636064097.db2.gz WPLOAMXEZHXTMF-UHFFFAOYSA-N -1 0 319.355 2.383 20 10 DECDRM Cc1cc(O)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1C ZINC000742346487 638061381 /nfs/dbraw/zinc/06/13/81/638061381.db2.gz LOJNBWOPZDCETP-VZUCSPMQSA-N -1 0 323.395 2.295 20 10 DECDRM Cn1cc(-c2csc([N-]S(=O)(=O)c3ccccc3)n2)cn1 ZINC000743047154 638114030 /nfs/dbraw/zinc/11/40/30/638114030.db2.gz SIFKNLIGONBWFR-UHFFFAOYSA-N -1 0 320.399 2.344 20 10 DECDRM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000756359471 639654113 /nfs/dbraw/zinc/65/41/13/639654113.db2.gz FTFFVLGADNUCHR-LBPRGKRZSA-N -1 0 308.315 2.277 20 10 DECDRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000775675844 642078055 /nfs/dbraw/zinc/07/80/55/642078055.db2.gz KSNSVRJHIUASHR-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM CCC[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776433635 642172653 /nfs/dbraw/zinc/17/26/53/642172653.db2.gz XOQHBPLKTHQBQJ-SECBINFHSA-N -1 0 301.364 2.268 20 10 DECDRM COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000776745198 642203063 /nfs/dbraw/zinc/20/30/63/642203063.db2.gz GACXFDCQERNPGL-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM CCCC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780350047 642615318 /nfs/dbraw/zinc/61/53/18/642615318.db2.gz OAHQJKPYXXYJQJ-AWEZNQCLSA-N -1 0 307.394 2.195 20 10 DECDRM CN(C)c1noc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000789556453 643748833 /nfs/dbraw/zinc/74/88/33/643748833.db2.gz XUJWWGNXBWDFHL-UHFFFAOYSA-N -1 0 317.176 2.438 20 10 DECDRM C[C@@H]1CCC[C@@]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])(C(=O)[O-])C1 ZINC000789902413 643786827 /nfs/dbraw/zinc/78/68/27/643786827.db2.gz NMEOFUCADNBUNN-BMIGLBTASA-N -1 0 308.334 2.424 20 10 DECDRM C[C@H]1c2nncn2CCN1Cc1cccc(Br)c1[O-] ZINC000792186906 644086470 /nfs/dbraw/zinc/08/64/70/644086470.db2.gz JFUNKDMLXMVLGY-VIFPVBQESA-N -1 0 323.194 2.323 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000795344186 644557140 /nfs/dbraw/zinc/55/71/40/644557140.db2.gz FGYHBWNBGPCUHD-UHFFFAOYSA-N -1 0 306.343 2.099 20 10 DECDRM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000738032446 645233517 /nfs/dbraw/zinc/23/35/17/645233517.db2.gz IQAPLHIUWZWRGU-DTWKUNHWSA-N -1 0 323.370 2.073 20 10 DECDRM CN(C)c1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000911120234 645635972 /nfs/dbraw/zinc/63/59/72/645635972.db2.gz LWUKMLXMIGNSMM-UHFFFAOYSA-N -1 0 316.401 2.404 20 10 DECDRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@H]1CCCO1 ZINC000911494730 645723107 /nfs/dbraw/zinc/72/31/07/645723107.db2.gz XQVNQPXLLNIORI-IUODEOHRSA-N -1 0 321.373 2.011 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000911494181 645723335 /nfs/dbraw/zinc/72/33/35/645723335.db2.gz RTVSHSRDPWIQCX-SCRDCRAPSA-N -1 0 303.358 2.242 20 10 DECDRM Cc1nonc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837794 645994747 /nfs/dbraw/zinc/99/47/47/645994747.db2.gz DETGETBUDTXJOE-UHFFFAOYSA-N -1 0 302.117 2.320 20 10 DECDRM NC(=O)c1cncc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000808087072 646028441 /nfs/dbraw/zinc/02/84/41/646028441.db2.gz NXXIRIVYOKQWIY-UHFFFAOYSA-N -1 0 313.144 2.200 20 10 DECDRM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)N1CCCCC1 ZINC000808115147 646034846 /nfs/dbraw/zinc/03/48/46/646034846.db2.gz QIIHNQALUYKWHW-UHFFFAOYSA-N -1 0 308.762 2.327 20 10 DECDRM Cc1cc(C(=O)N(C)c2nnn[n-]2)c(C)n1-c1ccccc1C ZINC000912617089 646113235 /nfs/dbraw/zinc/11/32/35/646113235.db2.gz DGDWAZLVTPMVGW-UHFFFAOYSA-N -1 0 310.361 2.192 20 10 DECDRM O=C(C1CC1)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000811502241 646536997 /nfs/dbraw/zinc/53/69/97/646536997.db2.gz NQUQSFGWCBKQTF-ZDUSSCGKSA-N -1 0 313.756 2.365 20 10 DECDRM COC[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825158612 648714119 /nfs/dbraw/zinc/71/41/19/648714119.db2.gz SGQHRFZCGPCWAU-AWEZNQCLSA-N -1 0 303.761 2.016 20 10 DECDRM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(F)cc1[O-] ZINC000848557878 651470752 /nfs/dbraw/zinc/47/07/52/651470752.db2.gz MRDILUGMMIZTMR-TVQRCGJNSA-N -1 0 306.341 2.352 20 10 DECDRM CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848586952 651475904 /nfs/dbraw/zinc/47/59/04/651475904.db2.gz FFYZDLDUIGYKJF-LBPRGKRZSA-N -1 0 308.378 2.425 20 10 DECDRM Cc1cc(Br)cc(C[NH2+]C[C@H](C)C(=O)[O-])c1O ZINC000848637964 651481521 /nfs/dbraw/zinc/48/15/21/651481521.db2.gz NYHJLSLFPSAZSQ-QMMMGPOBSA-N -1 0 302.168 2.273 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000854475927 651486655 /nfs/dbraw/zinc/48/66/55/651486655.db2.gz XZVXENWOFKBRRZ-JZYVYDRUSA-N -1 0 302.157 2.208 20 10 DECDRM O=C([O-])C1(C(=O)NCCCSc2nccs2)CC=CC1 ZINC000852944198 652482119 /nfs/dbraw/zinc/48/21/19/652482119.db2.gz JGAHSIDDWHNJAP-UHFFFAOYSA-N -1 0 312.416 2.163 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCC2(C1)OCCO2 ZINC000093013394 684047325 /nfs/dbraw/zinc/04/73/25/684047325.db2.gz KQEDNQJFDXWKDQ-UHFFFAOYSA-N -1 0 314.179 2.104 20 10 DECDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000157127195 684292653 /nfs/dbraw/zinc/29/26/53/684292653.db2.gz XUXGGOXTFDZPNI-UHFFFAOYSA-N -1 0 312.278 2.240 20 10 DECDRM CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)[S@@]1=O ZINC000877517315 690138190 /nfs/dbraw/zinc/13/81/90/690138190.db2.gz MVGFZKGHBURAEP-MTTWPYTGSA-N -1 0 303.374 2.402 20 10 DECDRM CC[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C(F)(F)F ZINC001147894074 791641488 /nfs/dbraw/zinc/64/14/88/791641488.db2.gz WZIGQNDELDANCP-LLVKDONJSA-N -1 0 313.279 2.236 20 10 DECDRM O=C(Nc1c[nH]c2cccnc12)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147881084 791646819 /nfs/dbraw/zinc/64/68/19/791646819.db2.gz OKPAGSVLNDSZKU-UHFFFAOYSA-N -1 0 319.324 2.294 20 10 DECDRM C[C@]1(F)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@@H]1F ZINC001147881202 791647361 /nfs/dbraw/zinc/64/73/61/791647361.db2.gz RXFZCJQYRKFOHR-BBRMVZONSA-N -1 0 321.327 2.078 20 10 DECDRM CC(C)CC(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001119296426 795284827 /nfs/dbraw/zinc/28/48/27/795284827.db2.gz ZVOXYEDSNAORKB-UHFFFAOYSA-N -1 0 312.360 2.361 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1ncccn1 ZINC001139127577 796329129 /nfs/dbraw/zinc/32/91/29/796329129.db2.gz YBJNITSDWHLMSA-UHFFFAOYSA-N -1 0 311.341 2.229 20 10 DECDRM COC[C@H]1CN(Cc2c(F)ccc(F)c2[O-])Cc2cn(C)nc21 ZINC001139681071 796410371 /nfs/dbraw/zinc/41/03/71/796410371.db2.gz HMVDLWUVRUQMCE-LLVKDONJSA-N -1 0 323.343 2.150 20 10 DECDRM COc1nc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1F ZINC001190096917 796930216 /nfs/dbraw/zinc/93/02/16/796930216.db2.gz RHMRGBLSKXYZBI-UHFFFAOYSA-N -1 0 312.322 2.044 20 10 DECDRM Cc1c(C)c([N-]S(=O)(=O)c2ncc(F)cc2F)ccc1O ZINC001190183085 796957001 /nfs/dbraw/zinc/95/70/01/796957001.db2.gz IVGGFQAPEAQKKV-UHFFFAOYSA-N -1 0 314.313 2.483 20 10 DECDRM Cc1ccc(C(N)=O)cc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193624667 797595470 /nfs/dbraw/zinc/59/54/70/797595470.db2.gz IWONVNLVAUKHJS-UHFFFAOYSA-N -1 0 320.732 2.411 20 10 DECDRM COc1cc(O)c(CN2CCC(F)(F)[C@@H](N)C2)cc1Cl ZINC001206676724 798886572 /nfs/dbraw/zinc/88/65/72/798886572.db2.gz TXBMXJWVKFHVDD-LBPRGKRZSA-N -1 0 306.740 2.223 20 10 DECDRM CCNC(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001202550967 799235796 /nfs/dbraw/zinc/23/57/96/799235796.db2.gz SOIHFQCOZMSYOV-UHFFFAOYSA-N -1 0 310.309 2.309 20 10 DECDRM CCCC(=O)c1cc(O)c(O)cc1OC1CC(C(=O)OC)C1 ZINC001233496091 802134570 /nfs/dbraw/zinc/13/45/70/802134570.db2.gz WRJRTKWHPRMQGU-UHFFFAOYSA-N -1 0 308.330 2.411 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1CCOC1=O ZINC001227937833 803297220 /nfs/dbraw/zinc/29/72/20/803297220.db2.gz NUGHAFHZUBWCLO-CYBMUJFWSA-N -1 0 314.293 2.023 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001590345423 950899894 /nfs/dbraw/zinc/89/98/94/950899894.db2.gz BWJOBUIIKKLWBR-GFCCVEGCSA-N -1 0 314.378 2.241 20 10 DECDRM COC(=O)/C=C\c1ccc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593830907 955149280 /nfs/dbraw/zinc/14/92/80/955149280.db2.gz TVQVVAUTYWWTPN-VURMDHGXSA-N -1 0 322.317 2.082 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001339801612 957877826 /nfs/dbraw/zinc/87/78/26/957877826.db2.gz GOBZNYYMIOSLNO-GFCCVEGCSA-N -1 0 308.378 2.425 20 10 DECDRM CC(C)(CCNC(=O)NCc1cc(Cl)ccc1O)C(=O)[O-] ZINC001353015055 962647424 /nfs/dbraw/zinc/64/74/24/962647424.db2.gz DAANJYHPLRVBBH-UHFFFAOYSA-N -1 0 314.769 2.346 20 10 DECDRM C[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC001593054490 980363884 /nfs/dbraw/zinc/36/38/84/980363884.db2.gz XYVFTHFKXMJRLQ-KYOSRNDESA-N -1 0 319.405 2.318 20 10 DECDRM CC(C)(C)c1cc(O)c(O)c(CN2CCOC[C@H]2CC(=O)[O-])c1 ZINC001590462333 990033840 /nfs/dbraw/zinc/03/38/40/990033840.db2.gz UDNNYPTXBAKYRD-CYBMUJFWSA-N -1 0 323.389 2.071 20 10 DECDRM CN(Cc1ncc[nH]1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598538791 992874155 /nfs/dbraw/zinc/87/41/55/992874155.db2.gz RAMPHTMLJRYQDC-UHFFFAOYSA-N -1 0 316.336 2.371 20 10 DECDRM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC001594169052 998653068 /nfs/dbraw/zinc/65/30/68/998653068.db2.gz ZTHJGEURBIGDIX-SCZZXKLOSA-N -1 0 314.179 2.450 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001598984326 998686708 /nfs/dbraw/zinc/68/67/08/998686708.db2.gz LIUIOTWCMAKXFQ-LOWVWBTDSA-N -1 0 321.373 2.473 20 10 DECDRM COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001606601026 1071172592 /nfs/dbraw/zinc/17/25/92/1071172592.db2.gz BBLGDHVBVWIPLY-UMNHJUIQSA-N -1 0 307.346 2.083 20 10 DECDRM CO[C@@H](C)c1noc(COc2ccc(N(C)C)c(C(=O)[O-])c2)n1 ZINC001606665149 1071186726 /nfs/dbraw/zinc/18/67/26/1071186726.db2.gz JLGXLCFJLVRQMW-VIFPVBQESA-N -1 0 321.333 2.120 20 10 DECDRM COCCN(CCF)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001606888771 1071235424 /nfs/dbraw/zinc/23/54/24/1071235424.db2.gz KQNKYAPIAUXXJB-HWKANZROSA-N -1 0 312.297 2.115 20 10 DECDRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1O ZINC001607456190 1071448477 /nfs/dbraw/zinc/44/84/77/1071448477.db2.gz DUIOLQXAEZTQJQ-NSHDSACASA-N -1 0 306.362 2.397 20 10 DECDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1O ZINC001632246718 1078380782 /nfs/dbraw/zinc/38/07/82/1078380782.db2.gz MLWXXHVYLJRPLK-SECBINFHSA-N -1 0 302.286 2.497 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001235293759 1079010958 /nfs/dbraw/zinc/01/09/58/1079010958.db2.gz BLDHGQOPHYLLOR-WDEREUQCSA-N -1 0 322.149 2.199 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001235300253 1079011681 /nfs/dbraw/zinc/01/16/81/1079011681.db2.gz WISKFLKGPFXFHM-GHMZBOCLSA-N -1 0 322.149 2.199 20 10 DECDRM Cc1oc(C(=O)[O-])cc1COc1ccc2c(c1)CC(=O)N2C ZINC001600831510 1077282412 /nfs/dbraw/zinc/28/24/12/1077282412.db2.gz BREAZULRGJTNHM-UHFFFAOYSA-N -1 0 301.298 2.384 20 10 DECDRM Cn1c(C(=O)[O-])ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001600904409 1077300114 /nfs/dbraw/zinc/30/01/14/1077300114.db2.gz UUSAXVNBQPAVOT-UHFFFAOYSA-N -1 0 308.721 2.012 20 10 DECDRM O=C([O-])C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCCCC1 ZINC001601239010 1077363731 /nfs/dbraw/zinc/36/37/31/1077363731.db2.gz QMUFZWPTCPCJJT-VURMDHGXSA-N -1 0 319.357 2.405 20 10 DECDRM O=C([O-])[C@@]1(F)CCN(Cc2c(O)cccc2Br)C1 ZINC001601717001 1077439416 /nfs/dbraw/zinc/43/94/16/1077439416.db2.gz MDWCUWVCMNURMF-GFCCVEGCSA-N -1 0 318.142 2.153 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC1(F)F ZINC001602057678 1077501760 /nfs/dbraw/zinc/50/17/60/1077501760.db2.gz RTKCSWYJSDXQIM-SECBINFHSA-N -1 0 319.691 2.114 20 10 DECDRM O=C([O-])Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC001602145606 1077514241 /nfs/dbraw/zinc/51/42/41/1077514241.db2.gz RIIHOZSWTOUZMV-UHFFFAOYSA-N -1 0 314.341 2.019 20 10 DECDRM CN(CC(C)(C)CO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001610112097 1077982234 /nfs/dbraw/zinc/98/22/34/1077982234.db2.gz ZIUASHPBHWTQAJ-ALCCZGGFSA-N -1 0 308.334 2.147 20 10 DECDRM NC(=O)[C@H]1CC12CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001277446013 1083974746 /nfs/dbraw/zinc/97/47/46/1083974746.db2.gz KJGFKTHEHUENOJ-SECBINFHSA-N -1 0 301.173 2.006 20 10 DECDRM CO[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1F ZINC001235057450 1084292122 /nfs/dbraw/zinc/29/21/22/1084292122.db2.gz NKFDFTSRDILVGZ-WDEREUQCSA-N -1 0 322.149 2.463 20 10 DECDRM [O-]c1c(Br)cc(F)cc1CN1C[C@H](F)C[C@H]1CO ZINC001235300446 1084378539 /nfs/dbraw/zinc/37/85/39/1084378539.db2.gz YXFSFZQDXOIIPL-ZJUUUORDSA-N -1 0 322.149 2.199 20 10 DECDRM COc1cc(Cl)cnc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566359 1086560018 /nfs/dbraw/zinc/56/00/18/1086560018.db2.gz QAPPHEWNQOKFDL-UHFFFAOYSA-N -1 0 320.692 2.267 20 10 DECDRM COc1ccc(CN2CC(O)(C(F)(F)F)C2)c([O-])c1Cl ZINC001236802348 1138432694 /nfs/dbraw/zinc/43/26/94/1138432694.db2.gz OYAHYUJATDQJCX-UHFFFAOYSA-N -1 0 311.687 2.163 20 10 DECDRM COc1ccc(CN2CC(N3CC[C@H](F)C3)C2)c([O-])c1Cl ZINC001236808517 1138435072 /nfs/dbraw/zinc/43/50/72/1138435072.db2.gz COIVPJCSQXWZGI-NSHDSACASA-N -1 0 314.788 2.282 20 10 DECDRM COC(=O)N1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807523 1138797228 /nfs/dbraw/zinc/79/72/28/1138797228.db2.gz LFOJFNYIYINUEQ-UHFFFAOYSA-N -1 0 302.733 2.069 20 10 DECDRM COC(=O)N1CCCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237934239 1138811165 /nfs/dbraw/zinc/81/11/65/1138811165.db2.gz JNGORZVHJDAHGO-UHFFFAOYSA-N -1 0 316.760 2.459 20 10 DECDRM CN(c1ccccc1)c1cc(-c2cnn(CC(=O)[O-])c2)ncn1 ZINC001242183096 1139882460 /nfs/dbraw/zinc/88/24/60/1139882460.db2.gz GBUCVRXIOMIBLS-UHFFFAOYSA-N -1 0 309.329 2.193 20 10 DECDRM COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001319969608 1140808232 /nfs/dbraw/zinc/80/82/32/1140808232.db2.gz BVKNATIQPYSTDC-UHFFFAOYSA-N -1 0 315.297 2.480 20 10 DECDRM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cccc(Cl)c1[O-] ZINC000376821595 533066789 /nfs/dbraw/zinc/06/67/89/533066789.db2.gz FOJCRFNJDZWFJA-YPMHNXCESA-N -1 0 313.781 2.198 20 10 DECDRM O=C(Nc1ccc(N2CCCC2)nc1)c1c(F)ccc(O)c1[O-] ZINC000276712319 403192904 /nfs/dbraw/zinc/19/29/04/403192904.db2.gz RGTGMZXDZVMGJU-UHFFFAOYSA-N -1 0 317.320 2.484 20 10 DECDRM CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000131775689 519585677 /nfs/dbraw/zinc/58/56/77/519585677.db2.gz NPTLQCWQCAPJCB-UHFFFAOYSA-N -1 0 303.189 2.363 20 10 DECDRM COCCS(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130173200 521769342 /nfs/dbraw/zinc/76/93/42/521769342.db2.gz SYZIKYJQNANXNN-UHFFFAOYSA-N -1 0 300.163 2.087 20 10 DECDRM CCCCN(CCO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736993371 600670582 /nfs/dbraw/zinc/67/05/82/600670582.db2.gz BAKOQGGNXJGAGX-ALCCZGGFSA-N -1 0 308.334 2.291 20 10 DECDRM Cn1cc(/C=C\C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cn1 ZINC000390853336 600857943 /nfs/dbraw/zinc/85/79/43/600857943.db2.gz JLSGFGAQGWHASW-FMFIFOJESA-N -1 0 311.341 2.038 20 10 DECDRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1-c1ccccn1 ZINC000781134571 601708863 /nfs/dbraw/zinc/70/88/63/601708863.db2.gz NQIOKZAOTUJLCT-UHFFFAOYSA-N -1 0 315.373 2.330 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)CCNC(=O)[O-])cc2)CC1 ZINC000736800204 602640995 /nfs/dbraw/zinc/64/09/95/602640995.db2.gz YMAKEKDSBDFRMD-UHFFFAOYSA-N -1 0 319.405 2.197 20 10 DECDRM CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2)NC(=O)[O-])cc1 ZINC000828063766 603028796 /nfs/dbraw/zinc/02/87/96/603028796.db2.gz IHNNKMKDQVQFIW-CQSZACIVSA-N -1 0 317.345 2.084 20 10 DECDRM C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)C1CC1 ZINC000823687603 603681957 /nfs/dbraw/zinc/68/19/57/603681957.db2.gz XXILGMQICVYMEK-IAQYHMDHSA-N -1 0 319.405 2.224 20 10 DECDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000824137332 603929387 /nfs/dbraw/zinc/92/93/87/603929387.db2.gz QJBOFVFVIJAPFB-OAHLLOKOSA-N -1 0 320.389 2.179 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000833733770 605708103 /nfs/dbraw/zinc/70/81/03/605708103.db2.gz PMCVKBIHOOWXOZ-JTQLQIEISA-N -1 0 309.362 2.469 20 10 DECDRM Cc1ccc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c(O)c1O ZINC000833903048 605839839 /nfs/dbraw/zinc/83/98/39/605839839.db2.gz WUXASHPMRCGMFQ-LBPRGKRZSA-N -1 0 324.377 2.161 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@H](CF)C2)c1[O-] ZINC000840955719 635615982 /nfs/dbraw/zinc/61/59/82/635615982.db2.gz YKDISOGJRWYMRH-SNVBAGLBSA-N -1 0 304.705 2.124 20 10 DECDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1cccc(O)c1O ZINC000187108494 637009763 /nfs/dbraw/zinc/00/97/63/637009763.db2.gz QBUBDNRBQAKGNK-UHFFFAOYSA-N -1 0 301.224 2.109 20 10 DECDRM CN(Cc1ccccc1O)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000746335459 638337125 /nfs/dbraw/zinc/33/71/25/638337125.db2.gz OQWYMYIUEGIZHT-UHFFFAOYSA-N -1 0 315.325 2.128 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C/c2cc(F)cc(F)c2)SC1=S ZINC000755405120 639548924 /nfs/dbraw/zinc/54/89/24/639548924.db2.gz XKPNECGUMGNMSM-OQFOIZHKSA-N -1 0 315.322 2.251 20 10 DECDRM C[C@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000756386676 639657521 /nfs/dbraw/zinc/65/75/21/639657521.db2.gz IOASBRLMUWZPJD-ZFWWWQNUSA-N -1 0 308.334 2.424 20 10 DECDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(C)c1O ZINC000765052562 640731018 /nfs/dbraw/zinc/73/10/18/640731018.db2.gz GUPHHTAFACNASK-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000766047448 640841945 /nfs/dbraw/zinc/84/19/45/640841945.db2.gz IXACIHLWLIPLIK-UHFFFAOYSA-N -1 0 323.374 2.242 20 10 DECDRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000766571744 640894963 /nfs/dbraw/zinc/89/49/63/640894963.db2.gz UUJWQTCXRYUGJJ-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM Cc1ccc(C)n1-c1ccsc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774935419 641983393 /nfs/dbraw/zinc/98/33/93/641983393.db2.gz QPUZBRZBFWFBLD-UHFFFAOYSA-N -1 0 318.358 2.336 20 10 DECDRM CCNC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647296 642072043 /nfs/dbraw/zinc/07/20/43/642072043.db2.gz RNNANWVWWAAKQH-UHFFFAOYSA-N -1 0 315.776 2.032 20 10 DECDRM CCN(CCS(C)(=O)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775727389 642086908 /nfs/dbraw/zinc/08/69/08/642086908.db2.gz DNWYNLOXFALXIB-UHFFFAOYSA-N -1 0 309.790 2.051 20 10 DECDRM CCC[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000776434899 642172639 /nfs/dbraw/zinc/17/26/39/642172639.db2.gz PWTYRKNWDKGTSX-SECBINFHSA-N -1 0 301.364 2.268 20 10 DECDRM Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)nc1Cl ZINC000776748801 642204450 /nfs/dbraw/zinc/20/44/50/642204450.db2.gz INZUHHMUSRIZGU-UHFFFAOYSA-N -1 0 322.173 2.233 20 10 DECDRM CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000779207944 642472829 /nfs/dbraw/zinc/47/28/29/642472829.db2.gz HWMWOYGZIVZUNX-UHFFFAOYSA-N -1 0 320.414 2.482 20 10 DECDRM COc1nn(C)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000788971126 643666610 /nfs/dbraw/zinc/66/66/10/643666610.db2.gz IBPVTVFBWVUPFO-UHFFFAOYSA-N -1 0 312.713 2.308 20 10 DECDRM O=C([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000843034688 650872376 /nfs/dbraw/zinc/87/23/76/650872376.db2.gz OUHBHJQHHIIZPC-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM COC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792178374 644084854 /nfs/dbraw/zinc/08/48/54/644084854.db2.gz DGPUVFAIUZNUET-ZJUUUORDSA-N -1 0 303.761 2.420 20 10 DECDRM Cc1nc(C=Cc2ccc(N(C)C)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794714810 644466088 /nfs/dbraw/zinc/46/60/88/644466088.db2.gz SCABLJOFEBEHNR-RMKNXTFCSA-N -1 0 313.357 2.354 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000911323230 645681546 /nfs/dbraw/zinc/68/15/46/645681546.db2.gz JCAAYQUGCDBEJP-CQDKDKBSSA-N -1 0 321.373 2.009 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC12CC2 ZINC000911360206 645683880 /nfs/dbraw/zinc/68/38/80/645683880.db2.gz OUEOZHNGPDRZTD-LLVKDONJSA-N -1 0 309.749 2.259 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(=O)[O-])co1 ZINC000911409441 645700161 /nfs/dbraw/zinc/70/01/61/645700161.db2.gz JKAYWBGRVLZLDW-UHFFFAOYSA-N -1 0 302.330 2.282 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCC(F)(F)F ZINC000911484497 645720246 /nfs/dbraw/zinc/72/02/46/645720246.db2.gz CKEPDSWBEOCJAT-UHFFFAOYSA-N -1 0 305.252 2.148 20 10 DECDRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@@H]1CCCO1 ZINC000911494729 645723176 /nfs/dbraw/zinc/72/31/76/645723176.db2.gz XQVNQPXLLNIORI-DOMZBBRYSA-N -1 0 321.373 2.011 20 10 DECDRM [O-]c1c(Br)cccc1CN1CCn2cncc2C1 ZINC000811515524 646538921 /nfs/dbraw/zinc/53/89/21/646538921.db2.gz XIUKKRCCSXBHQH-UHFFFAOYSA-N -1 0 308.179 2.367 20 10 DECDRM C=CC(=O)NCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813685499 646799312 /nfs/dbraw/zinc/79/93/12/646799312.db2.gz IQLGRZGJPWMYQI-UHFFFAOYSA-N -1 0 317.172 2.008 20 10 DECDRM CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1O ZINC000817874710 647370242 /nfs/dbraw/zinc/37/02/42/647370242.db2.gz NUEPEIVIRXZFPW-JOYOIKCWSA-N -1 0 309.337 2.277 20 10 DECDRM CC(=O)Nc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000033314807 647996468 /nfs/dbraw/zinc/99/64/68/647996468.db2.gz QEFAFYOZLJUIRT-WJDWOHSUSA-N -1 0 321.336 2.106 20 10 DECDRM COc1ccc(N2CCCN(c3nc(C(=O)[O-])co3)CC2)cc1 ZINC000844207226 651091777 /nfs/dbraw/zinc/09/17/77/651091777.db2.gz CWOZAEPTBVEWSF-UHFFFAOYSA-N -1 0 317.345 2.098 20 10 DECDRM COc1ccc(N2CC[C@H](CNc3nc(C(=O)[O-])co3)C2)cc1 ZINC000844213096 651093775 /nfs/dbraw/zinc/09/37/75/651093775.db2.gz SNIRWCZXCJBAPX-LLVKDONJSA-N -1 0 317.345 2.320 20 10 DECDRM O=C([O-])CN1C(=O)/C(=C/c2cccc3c2CCC3)SC1=S ZINC000844275440 651102829 /nfs/dbraw/zinc/10/28/29/651102829.db2.gz XECGMWGAZXWOMP-GHXNOFRVSA-N -1 0 319.407 2.461 20 10 DECDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000844661351 651152120 /nfs/dbraw/zinc/15/21/20/651152120.db2.gz YEZBPOBOXILKHO-GFCCVEGCSA-N -1 0 319.354 2.005 20 10 DECDRM COc1cc(C)nc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000846279839 651320283 /nfs/dbraw/zinc/32/02/83/651320283.db2.gz NMSMHNCZFIALRD-UHFFFAOYSA-N -1 0 316.357 2.498 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1F ZINC000846707000 651347381 /nfs/dbraw/zinc/34/73/81/651347381.db2.gz PHHJOZPGRUSODR-KRWDZBQOSA-N -1 0 320.364 2.319 20 10 DECDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000846714098 651347908 /nfs/dbraw/zinc/34/79/08/651347908.db2.gz DKWQSSVYGDMODP-CQSZACIVSA-N -1 0 315.373 2.424 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000848592993 651476841 /nfs/dbraw/zinc/47/68/41/651476841.db2.gz URIZAKQBANKFBN-GXFFZTMASA-N -1 0 324.377 2.118 20 10 DECDRM O=C([O-])C1(C[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000854244747 652664747 /nfs/dbraw/zinc/66/47/47/652664747.db2.gz RHRJCAGPROTSHW-UHFFFAOYSA-N -1 0 314.179 2.499 20 10 DECDRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042444 693884733 /nfs/dbraw/zinc/88/47/33/693884733.db2.gz DYJICTPAYVIGFY-GTNSWQLSSA-N -1 0 319.405 2.366 20 10 DECDRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042457 693884891 /nfs/dbraw/zinc/88/48/91/693884891.db2.gz FGZNUUJDSGPEFD-VXGBXAGGSA-N -1 0 319.405 2.461 20 10 DECDRM COC[C@]1(C)CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000862551220 686321360 /nfs/dbraw/zinc/32/13/60/686321360.db2.gz KCOSJTGFAUHLSP-AWEZNQCLSA-N -1 0 303.761 2.422 20 10 DECDRM O=C(NCCO)c1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864038378 686604575 /nfs/dbraw/zinc/60/45/75/686604575.db2.gz MYJMTBUTNCJBNL-UHFFFAOYSA-N -1 0 322.311 2.005 20 10 DECDRM C[C@@H](CS(C)(=O)=O)N(Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876737369 689922131 /nfs/dbraw/zinc/92/21/31/689922131.db2.gz SFXAHKXHBOBZGJ-VIFPVBQESA-N -1 0 319.373 2.068 20 10 DECDRM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886801064 692194877 /nfs/dbraw/zinc/19/48/77/692194877.db2.gz HGUIMPCVHKQALH-HQJQHLMTSA-N -1 0 308.256 2.264 20 10 DECDRM CCN(CC(=O)OC)Cc1cc(Br)cc(F)c1[O-] ZINC000893998466 692973891 /nfs/dbraw/zinc/97/38/91/692973891.db2.gz JOVTZHFEJFPCIN-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM CC1(CO)CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298553 790846742 /nfs/dbraw/zinc/84/67/42/790846742.db2.gz GMYAXIFRXXDDAD-UHFFFAOYSA-N -1 0 304.159 2.108 20 10 DECDRM [O-]c1c(F)ccc(F)c1CN1CCN(CC(F)(F)F)CC1 ZINC001139682822 794837297 /nfs/dbraw/zinc/83/72/97/794837297.db2.gz DBGZOKJQUMORTD-UHFFFAOYSA-N -1 0 310.266 2.350 20 10 DECDRM O=C1CN(Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001181622242 795508770 /nfs/dbraw/zinc/50/87/70/795508770.db2.gz SGERVHXADRDNHP-UHFFFAOYSA-N -1 0 322.714 2.252 20 10 DECDRM CC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC001121840007 795693776 /nfs/dbraw/zinc/69/37/76/795693776.db2.gz URKRPLWHSUDAHP-ZDUSSCGKSA-N -1 0 307.394 2.005 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCn2ccnc2C1 ZINC001139124899 796326420 /nfs/dbraw/zinc/32/64/20/796326420.db2.gz HWXZWXKDXSDMBX-UHFFFAOYSA-N -1 0 311.341 2.019 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCOCC12CC2 ZINC001139132261 796331086 /nfs/dbraw/zinc/33/10/86/796331086.db2.gz VDCLQRFAMBTZML-UHFFFAOYSA-N -1 0 301.342 2.172 20 10 DECDRM O=C(Nc1ccc(Cl)nn1)c1cc(O)c([O-])c(Cl)c1 ZINC001193590329 797589405 /nfs/dbraw/zinc/58/94/05/797589405.db2.gz YCOPVHUKFCEIDP-UHFFFAOYSA-N -1 0 300.101 2.447 20 10 DECDRM Cc1cc(C)c(CNC(=O)c2cc(O)c([O-])c(Cl)c2)c(=O)[nH]1 ZINC001193625690 797595608 /nfs/dbraw/zinc/59/56/08/797595608.db2.gz MJAUWGUTSCAKIL-UHFFFAOYSA-N -1 0 322.748 2.399 20 10 DECDRM CCOc1cccc(CNC(=O)c2cc(O)c([O-])c(Cl)c2)n1 ZINC001193633833 797597351 /nfs/dbraw/zinc/59/73/51/797597351.db2.gz IFBULJIGPZDIIB-UHFFFAOYSA-N -1 0 322.748 2.475 20 10 DECDRM [O-]c1cc(Br)cc(F)c1CN1CCC12COC2 ZINC001233031335 802007575 /nfs/dbraw/zinc/00/75/75/802007575.db2.gz BWMQEYGLUKCQOV-UHFFFAOYSA-N -1 0 302.143 2.269 20 10 DECDRM O=c1oc2cc([O-])c(O)cc2cc1-c1nc(-c2ccccn2)no1 ZINC001217553623 802085214 /nfs/dbraw/zinc/08/52/14/802085214.db2.gz GAALMERJFNMLDY-UHFFFAOYSA-N -1 0 323.264 2.316 20 10 DECDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589079020 955837988 /nfs/dbraw/zinc/83/79/88/955837988.db2.gz ICGQBSKWEHMIDE-ZUZCIYMTSA-N -1 0 321.373 2.036 20 10 DECDRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(O)c1O ZINC001594346575 958323024 /nfs/dbraw/zinc/32/30/24/958323024.db2.gz YHCPBWAPNYKLLD-KRWDZBQOSA-N -1 0 315.325 2.136 20 10 DECDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC001594094860 958396289 /nfs/dbraw/zinc/39/62/89/958396289.db2.gz WLOBPEQSKZZOCV-UHFFFAOYSA-N -1 0 301.298 2.029 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC001603739514 974185394 /nfs/dbraw/zinc/18/53/94/974185394.db2.gz SOYQQFQFZUIKNK-LBPRGKRZSA-N -1 0 307.394 2.195 20 10 DECDRM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000703775679 977196059 /nfs/dbraw/zinc/19/60/59/977196059.db2.gz DSWAPWCKLWNMBP-CYBMUJFWSA-N -1 0 320.172 2.375 20 10 DECDRM CN(C)c1ccc(OCc2nc(C3CC3)no2)cc1C(=O)[O-] ZINC001598330094 991366837 /nfs/dbraw/zinc/36/68/37/991366837.db2.gz GGQQMWSJXKLZOX-UHFFFAOYSA-N -1 0 303.318 2.290 20 10 DECDRM CN(C)c1ccc2c(c1)OCCN2Cc1cccc(C(=O)[O-])n1 ZINC001598333566 991374453 /nfs/dbraw/zinc/37/44/53/991374453.db2.gz ITOVIRSNTIYJQI-UHFFFAOYSA-N -1 0 313.357 2.245 20 10 DECDRM CN(CC(=O)NCCC(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001598391485 991628933 /nfs/dbraw/zinc/62/89/33/991628933.db2.gz GXTQNHBBEMQVCO-UHFFFAOYSA-N -1 0 322.405 2.139 20 10 DECDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001593056598 993567869 /nfs/dbraw/zinc/56/78/69/993567869.db2.gz WIOBJRYOERFEJP-HUBLWGQQSA-N -1 0 319.405 2.318 20 10 DECDRM COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC001599584031 993588134 /nfs/dbraw/zinc/58/81/34/993588134.db2.gz LNEVVEMJRAKXTH-CYBMUJFWSA-N -1 0 322.405 2.091 20 10 DECDRM COc1ccc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599584547 993595313 /nfs/dbraw/zinc/59/53/13/993595313.db2.gz XVHTVPNZODYYPW-UHFFFAOYSA-N -1 0 314.341 2.468 20 10 DECDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)Nc1nccs1 ZINC001593679401 996100534 /nfs/dbraw/zinc/10/05/34/996100534.db2.gz JNSNZQVUGAENQP-RXMQYKEDSA-N -1 0 315.401 2.417 20 10 DECDRM COc1cc(COc2ccc(N(C)C)c(C(=O)[O-])c2)ccn1 ZINC001599416645 997524190 /nfs/dbraw/zinc/52/41/90/997524190.db2.gz BEZKRNXLZXXAKS-UHFFFAOYSA-N -1 0 302.330 2.433 20 10 DECDRM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001599149648 998273623 /nfs/dbraw/zinc/27/36/23/998273623.db2.gz MQLZNHASWDPFAE-CYBMUJFWSA-N -1 0 305.733 2.154 20 10 DECDRM COc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(O)c1 ZINC001599574815 998425292 /nfs/dbraw/zinc/42/52/92/998425292.db2.gz QLQIANATDBFGBP-UHFFFAOYSA-N -1 0 319.273 2.014 20 10 DECDRM O=C([O-])c1ccc2c(c1)CCN2Cc1cc2c(cc1O)OCO2 ZINC001602419279 1069633079 /nfs/dbraw/zinc/63/30/79/1069633079.db2.gz UUWZUTITOBDGIO-UHFFFAOYSA-N -1 0 313.309 2.382 20 10 DECDRM CC(=O)C(=O)CSc1ccc(Br)cc1C(=O)[O-] ZINC001602994057 1069828144 /nfs/dbraw/zinc/82/81/44/1069828144.db2.gz WUNYWXJHFPLYHM-UHFFFAOYSA-N -1 0 317.160 2.398 20 10 DECDRM CC1(C)C[C@H](O)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604518485 1070419933 /nfs/dbraw/zinc/41/99/33/1070419933.db2.gz ILYAOLVKIQQMFV-FUEXJSSKSA-N -1 0 320.345 2.290 20 10 DECDRM CC[C@H](C)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001604951309 1070544179 /nfs/dbraw/zinc/54/41/79/1070544179.db2.gz HRMCNNFBYVTFKB-CABZTGNLSA-N -1 0 320.349 2.468 20 10 DECDRM CC[C@H](C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC001604948749 1070544517 /nfs/dbraw/zinc/54/45/17/1070544517.db2.gz SNFYGQFAJDLQAI-VYELJELPSA-N -1 0 307.346 2.117 20 10 DECDRM CCCc1noc(COc2ccc(N(C)C)c(C(=O)[O-])c2)n1 ZINC001605383704 1070697155 /nfs/dbraw/zinc/69/71/55/1070697155.db2.gz ONOQZWMEIBDPJO-UHFFFAOYSA-N -1 0 305.334 2.365 20 10 DECDRM Cc1c(C)n(C)c2ccc(OCc3cn(CC(=O)[O-])nn3)cc12 ZINC001607524564 1071469425 /nfs/dbraw/zinc/46/94/25/1071469425.db2.gz JLZXZDAYEBIWRK-UHFFFAOYSA-N -1 0 314.345 2.050 20 10 DECDRM Cc1c(Cl)c(CN(C)c2ccc(OCC(=O)[O-])cc2)nn1C ZINC001607532061 1071470617 /nfs/dbraw/zinc/47/06/17/1071470617.db2.gz QKUHGSGVEFGAND-UHFFFAOYSA-N -1 0 323.780 2.482 20 10 DECDRM Cc1ccc(O)c(CNC(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001607811312 1071566410 /nfs/dbraw/zinc/56/64/10/1071566410.db2.gz QMAULYCVXBKQAC-UHFFFAOYSA-N -1 0 301.302 2.116 20 10 DECDRM O=C([O-])[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC001610653216 1078058364 /nfs/dbraw/zinc/05/83/64/1078058364.db2.gz XVWWFVQLKOZBPB-YVARQFDVSA-N -1 0 319.338 2.115 20 10 DECDRM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001610742149 1078070902 /nfs/dbraw/zinc/07/09/02/1078070902.db2.gz NNWLNRZADAUORR-UWVGGRQHSA-N -1 0 314.725 2.297 20 10 DECDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)C1=CC(=O)CS1 ZINC001610878138 1078090691 /nfs/dbraw/zinc/09/06/91/1078090691.db2.gz MWBKGWCCCXNXHE-LLVKDONJSA-N -1 0 310.302 2.446 20 10 DECDRM CN(Cc1ccccc1O)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001621830199 1078181677 /nfs/dbraw/zinc/18/16/77/1078181677.db2.gz BMHQMEHRBYCVDG-UHFFFAOYSA-N -1 0 311.334 2.058 20 10 DECDRM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 ZINC001640401899 1078658860 /nfs/dbraw/zinc/65/88/60/1078658860.db2.gz GLMLGNLITVDORR-UHFFFAOYSA-N -1 0 320.732 2.157 20 10 DECDRM O=C([O-])[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC001601794892 1068663082 /nfs/dbraw/zinc/66/30/82/1068663082.db2.gz UGLGHBDTOYGMMD-LDYMZIIASA-N -1 0 314.179 2.498 20 10 DECDRM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nn[nH]n2)c1 ZINC001581557285 1076079648 /nfs/dbraw/zinc/07/96/48/1076079648.db2.gz IWSACEUSQWXZJU-CMDGGOBGSA-N -1 0 320.356 2.246 20 10 DECDRM CCN(Cc1nc(-c2nn[nH]n2)cs1)c1ccc(OC)cc1 ZINC001590721848 1076671502 /nfs/dbraw/zinc/67/15/02/1076671502.db2.gz GSPGQGFLMLHOCA-UHFFFAOYSA-N -1 0 316.390 2.358 20 10 DECDRM Cc1cc(Br)c([O-])c(C[NH+]2CC(C)(C(=O)[O-])C2)c1 ZINC001600070634 1077131428 /nfs/dbraw/zinc/13/14/28/1077131428.db2.gz DEEYMLQCVHZYRH-UHFFFAOYSA-N -1 0 314.179 2.370 20 10 DECDRM Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001600391851 1077192467 /nfs/dbraw/zinc/19/24/67/1077192467.db2.gz RNRAZJXPILKEJU-AWEZNQCLSA-N -1 0 304.321 2.247 20 10 DECDRM Cc1ncccc1/C=C\C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001600752118 1077263285 /nfs/dbraw/zinc/26/32/85/1077263285.db2.gz WDMHNHRCZPGMBC-TWGQIWQCSA-N -1 0 323.352 2.476 20 10 DECDRM Cn1c(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1C(=O)[O-] ZINC001600912324 1077301006 /nfs/dbraw/zinc/30/10/06/1077301006.db2.gz QEPFMQQJLAWYHC-FMIVXFBMSA-N -1 0 319.386 2.180 20 10 DECDRM NC(=O)[C@@H](Cc1ccccc1)Sc1ncc(C(=O)[O-])s1 ZINC001601138692 1077348354 /nfs/dbraw/zinc/34/83/54/1077348354.db2.gz OSMJCZWYEUVRCG-SECBINFHSA-N -1 0 308.384 2.030 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001601155307 1077349196 /nfs/dbraw/zinc/34/91/96/1077349196.db2.gz FQKAGGWAYOIHDO-UHFFFAOYSA-N -1 0 316.273 2.070 20 10 DECDRM O=C([O-])[C@@H]1CN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc2O1 ZINC001608643996 1077669146 /nfs/dbraw/zinc/66/91/46/1077669146.db2.gz QUGDWSRGMWEEIN-NSHDSACASA-N -1 0 323.301 2.085 20 10 DECDRM O=C([O-])c1cnc(SCC(=O)c2ccc(O)cc2O)s1 ZINC001608978665 1077732096 /nfs/dbraw/zinc/73/20/96/1077732096.db2.gz LNWGSPILTKJKMN-UHFFFAOYSA-N -1 0 311.340 2.228 20 10 DECDRM O=C([O-])c1cncc(NCc2cccc(Br)c2O)n1 ZINC001608981796 1077733728 /nfs/dbraw/zinc/73/37/28/1077733728.db2.gz CVQCYTKPGCPZND-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001609835263 1077933899 /nfs/dbraw/zinc/93/38/99/1077933899.db2.gz SZJZWXXWOMHNEY-XVKPBYJWSA-N -1 0 314.725 2.249 20 10 DECDRM COc1ncc(Cl)cc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212566430 1086560353 /nfs/dbraw/zinc/56/03/53/1086560353.db2.gz TVCXANCXICVTKF-UHFFFAOYSA-N -1 0 320.692 2.267 20 10 DECDRM CCN(Cc1ccc(OC)c(Cl)c1[O-])[C@@H](C)C(=O)OC ZINC001236817182 1138438020 /nfs/dbraw/zinc/43/80/20/1138438020.db2.gz DRDJKXTYHXWAID-VIFPVBQESA-N -1 0 301.770 2.438 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001237618062 1138717573 /nfs/dbraw/zinc/71/75/73/1138717573.db2.gz XAHNLYBDSWBQST-HERUPUMHSA-N -1 0 315.772 2.156 20 10 DECDRM Cc1ccc2c(c1[N-]S(C)(=O)=O)C(=O)c1ccccc1C2=O ZINC001252712528 1142811142 /nfs/dbraw/zinc/81/11/42/1142811142.db2.gz JAESWBVRPHKKLP-UHFFFAOYSA-N -1 0 315.350 2.142 20 10 DECDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)n1 ZINC001259943644 1144161672 /nfs/dbraw/zinc/16/16/72/1144161672.db2.gz BGKVORFNEFAJMD-UHFFFAOYSA-N -1 0 303.343 2.080 20 10 DECDRM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441591 1144187514 /nfs/dbraw/zinc/18/75/14/1144187514.db2.gz QLUCGJOOUOFQFS-UHFFFAOYSA-N -1 0 319.342 2.346 20 10 DECDRM NC(=O)N1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000092754160 193188152 /nfs/dbraw/zinc/18/81/52/193188152.db2.gz YHGFEUYDXJVPGZ-UHFFFAOYSA-N -1 0 318.204 2.285 20 10 DECDRM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])CCS1(=O)=O ZINC000294713658 224187210 /nfs/dbraw/zinc/18/72/10/224187210.db2.gz OYRFNDROLOULPR-VIFPVBQESA-N -1 0 321.801 2.194 20 10 DECDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000070333946 402259389 /nfs/dbraw/zinc/25/93/89/402259389.db2.gz TZWVODWATRPHRN-UHFFFAOYSA-N -1 0 315.782 2.197 20 10 DECDRM Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000271787224 402884476 /nfs/dbraw/zinc/88/44/76/402884476.db2.gz IBHIPSRIYRUGBK-GFCCVEGCSA-N -1 0 300.196 2.420 20 10 DECDRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cccc(Cl)c1[O-] ZINC000180351195 525656459 /nfs/dbraw/zinc/65/64/59/525656459.db2.gz VZFAIWBQNCQUIV-NXEZZACHSA-N -1 0 303.811 2.053 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)NCCCCC(=O)[O-])cc1 ZINC000820602048 598167362 /nfs/dbraw/zinc/16/73/62/598167362.db2.gz ADQOQGHEXSPMBU-UHFFFAOYSA-N -1 0 307.394 2.149 20 10 DECDRM CCOc1ccc(N(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000737204802 600623144 /nfs/dbraw/zinc/62/31/44/600623144.db2.gz XQMREPCLMOCZSH-MLGOLLRUSA-N -1 0 322.405 2.137 20 10 DECDRM CC(C)(CC(=O)[O-])[NH2+]Cc1cccc(Br)c1[O-] ZINC000736316989 600800553 /nfs/dbraw/zinc/80/05/53/600800553.db2.gz JNWHZFQMWLFTNZ-UHFFFAOYSA-N -1 0 302.168 2.498 20 10 DECDRM O=C([O-])c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)[nH]1 ZINC000833360283 601446058 /nfs/dbraw/zinc/44/60/58/601446058.db2.gz DVIVNQJITHHOBJ-FLIBITNWSA-N -1 0 305.359 2.169 20 10 DECDRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000827247505 602298771 /nfs/dbraw/zinc/29/87/71/602298771.db2.gz NLYWDYGHFRJWNR-JSGCOSHPSA-N -1 0 321.373 2.011 20 10 DECDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000736368327 603116054 /nfs/dbraw/zinc/11/60/54/603116054.db2.gz MQVMRDJAFSBFGL-VIFPVBQESA-N -1 0 317.436 2.034 20 10 DECDRM CCN(CC)c1ccc(CNC(=O)C[C@H](C)NC(=O)[O-])cc1 ZINC000827052824 603357999 /nfs/dbraw/zinc/35/79/99/603357999.db2.gz YSZKBJRTSUOYEJ-LBPRGKRZSA-N -1 0 307.394 2.195 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C(C)(C)CNC(=O)[O-])cc1 ZINC000828355428 603619392 /nfs/dbraw/zinc/61/93/92/603619392.db2.gz LLTWDGUVJHUIQG-UHFFFAOYSA-N -1 0 307.394 2.005 20 10 DECDRM CN(Cc1ccccc1O)C(=O)C1(CNC(=O)[O-])CCCC1 ZINC000828399887 603794957 /nfs/dbraw/zinc/79/49/57/603794957.db2.gz IGIZJUIRQGXBKW-UHFFFAOYSA-N -1 0 306.362 2.179 20 10 DECDRM CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCNC(=O)[O-])c1[O-] ZINC000823627064 603965462 /nfs/dbraw/zinc/96/54/62/603965462.db2.gz DDABYLNMBAQWQX-UHFFFAOYSA-N -1 0 314.769 2.338 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000829483176 605522631 /nfs/dbraw/zinc/52/26/31/605522631.db2.gz FBUONWXLDOKMLP-MFKMUULPSA-N -1 0 322.361 2.111 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)C2(NC(=O)[O-])CCCC2)c1 ZINC000829483048 605522661 /nfs/dbraw/zinc/52/26/61/605522661.db2.gz CUGQYSLREGQHBP-SNVBAGLBSA-N -1 0 322.361 2.158 20 10 DECDRM Cn1nccc1CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000833963514 605884665 /nfs/dbraw/zinc/88/46/65/605884665.db2.gz OGIXDDCHVYEQET-UHFFFAOYSA-N -1 0 300.362 2.141 20 10 DECDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)S1(=O)=O ZINC000811519351 622650276 /nfs/dbraw/zinc/65/02/76/622650276.db2.gz ZNTFXXXEERKZGD-RKDXNWHRSA-N -1 0 321.801 2.192 20 10 DECDRM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000314115026 625749494 /nfs/dbraw/zinc/74/94/94/625749494.db2.gz DCNJURJTJUGDSE-UHFFFAOYSA-N -1 0 324.314 2.110 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c(C)c1[O-] ZINC000749186304 638620668 /nfs/dbraw/zinc/62/06/68/638620668.db2.gz ZHIBMFHQCDTEHW-UHFFFAOYSA-N -1 0 302.378 2.152 20 10 DECDRM O=C1N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N2CCSC[C@@H]12 ZINC000765508756 640786238 /nfs/dbraw/zinc/78/62/38/640786238.db2.gz MHRNRKDRHPWOCA-GXSJLCMTSA-N -1 0 319.213 2.245 20 10 DECDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000766047132 640841642 /nfs/dbraw/zinc/84/16/42/640841642.db2.gz GBKKERXWJBCLNZ-UHFFFAOYSA-N -1 0 323.374 2.173 20 10 DECDRM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000769555607 641259277 /nfs/dbraw/zinc/25/92/77/641259277.db2.gz GWGCFBQDTYHYIJ-AWEZNQCLSA-N -1 0 301.745 2.176 20 10 DECDRM CCOC(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])c1nccn1C ZINC000772806674 641693870 /nfs/dbraw/zinc/69/38/70/641693870.db2.gz NHPLWVWQASASRM-FMIVXFBMSA-N -1 0 317.301 2.138 20 10 DECDRM [O-]c1c(Br)cccc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787439075 643494772 /nfs/dbraw/zinc/49/47/72/643494772.db2.gz ZZPRXNQFMXBCFM-SECBINFHSA-N -1 0 322.149 2.357 20 10 DECDRM CC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])(C(=O)[O-])CC1 ZINC000789898061 643786734 /nfs/dbraw/zinc/78/67/34/643786734.db2.gz SEOPXGFSOUEXDG-UHFFFAOYSA-N -1 0 308.334 2.424 20 10 DECDRM C[C@H]1CCC[C@@]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])(C(=O)[O-])C1 ZINC000789902414 643787123 /nfs/dbraw/zinc/78/71/23/643787123.db2.gz NMEOFUCADNBUNN-BONVTDFDSA-N -1 0 308.334 2.424 20 10 DECDRM O=C([O-])c1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000843034394 650871937 /nfs/dbraw/zinc/87/19/37/650871937.db2.gz KIAYWNMAJWDPLK-UHFFFAOYSA-N -1 0 313.357 2.229 20 10 DECDRM Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])ccc1C(N)=O ZINC000798085291 644964124 /nfs/dbraw/zinc/96/41/24/644964124.db2.gz OZTXBOREAUPPJE-UHFFFAOYSA-N -1 0 301.302 2.320 20 10 DECDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/C1CC1 ZINC000911359813 645684189 /nfs/dbraw/zinc/68/41/89/645684189.db2.gz HLASYXBUWGPQAV-ZZXKWVIFSA-N -1 0 309.749 2.425 20 10 DECDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000911342865 645685184 /nfs/dbraw/zinc/68/51/84/645685184.db2.gz GWHFNXWDAWNDBT-RTXFEEFZSA-N -1 0 321.373 2.469 20 10 DECDRM Cc1nsc(C)c1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911489644 645721883 /nfs/dbraw/zinc/72/18/83/645721883.db2.gz VFNZTVYNJXMQCZ-UHFFFAOYSA-N -1 0 320.370 2.193 20 10 DECDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1=CC(=O)CS1 ZINC000807491972 645957690 /nfs/dbraw/zinc/95/76/90/645957690.db2.gz BWQSWOHECCYYFQ-UHFFFAOYSA-N -1 0 302.315 2.197 20 10 DECDRM O=S(=O)(C[C@@H]1CCCOC1)Nc1cc(Cl)c([O-])cc1F ZINC000808115171 646034664 /nfs/dbraw/zinc/03/46/64/646034664.db2.gz RRHKREAQJILTLQ-MRVPVSSYSA-N -1 0 323.773 2.353 20 10 DECDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817874260 647369879 /nfs/dbraw/zinc/36/98/79/647369879.db2.gz OJBDHJSQWLDZSW-JSGCOSHPSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@H](NCC(F)(F)CN)c1cc(Br)ccc1O ZINC000817966821 647395594 /nfs/dbraw/zinc/39/55/94/647395594.db2.gz WCHSBURJUPQOKD-ZETCQYMHSA-N -1 0 309.154 2.399 20 10 DECDRM CCn1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000818344700 647456917 /nfs/dbraw/zinc/45/69/17/647456917.db2.gz GBCYQGNLTVLDML-SECBINFHSA-N -1 0 305.338 2.071 20 10 DECDRM CCC(CC)(CNC(=O)NCc1ccc(OC)cc1O)C(=O)[O-] ZINC000818627481 647491945 /nfs/dbraw/zinc/49/19/45/647491945.db2.gz KNFPYRAGCIHLKW-UHFFFAOYSA-N -1 0 324.377 2.091 20 10 DECDRM CC1(O)CC(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000832059093 649672318 /nfs/dbraw/zinc/67/23/18/649672318.db2.gz JWRGBLXUYVSQSZ-UHFFFAOYSA-N -1 0 304.173 2.476 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844208756 651092389 /nfs/dbraw/zinc/09/23/89/651092389.db2.gz HAHYBNFRNIKTDY-ZBBQIYFKSA-N -1 0 318.329 2.308 20 10 DECDRM Cc1cc(CN2CCO[C@@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846272555 651319287 /nfs/dbraw/zinc/31/92/87/651319287.db2.gz PYBLMNRVXZUVMH-QGZVFWFLSA-N -1 0 318.417 2.271 20 10 DECDRM COc1ccc(N2CC[C@@H](NC(=O)CCCCC(=O)[O-])C2)cc1 ZINC000851695250 652208100 /nfs/dbraw/zinc/20/81/00/652208100.db2.gz BMVLDFIRHGDHNO-CYBMUJFWSA-N -1 0 320.389 2.035 20 10 DECDRM COc1ccc(N(Cc2ccco2)Cc2n[nH]c(=O)[n-]2)cc1F ZINC000092643084 684044344 /nfs/dbraw/zinc/04/43/44/684044344.db2.gz PASWURAPUNOSRF-UHFFFAOYSA-N -1 0 318.308 2.046 20 10 DECDRM COC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000124734085 684137683 /nfs/dbraw/zinc/13/76/83/684137683.db2.gz XDKXFCFPQNXBSD-LLVKDONJSA-N -1 0 314.179 2.292 20 10 DECDRM C[C@@H](NC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929045446 693885289 /nfs/dbraw/zinc/88/52/89/693885289.db2.gz RSYOWQRQCJXBMA-IUODEOHRSA-N -1 0 319.405 2.462 20 10 DECDRM C[C@H](NC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929045448 693885392 /nfs/dbraw/zinc/88/53/92/693885392.db2.gz RSYOWQRQCJXBMA-SWLSCSKDSA-N -1 0 319.405 2.462 20 10 DECDRM CC[C@@H](C)CN(C)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1 ZINC000872929330 689122858 /nfs/dbraw/zinc/12/28/58/689122858.db2.gz LRVBZOCWIIARCK-CYBMUJFWSA-N -1 0 322.405 2.091 20 10 DECDRM CN(C)c1ccc(CNCc2nc(CC(=O)[O-])cs2)cc1 ZINC001352081828 1151675867 /nfs/dbraw/zinc/67/58/67/1151675867.db2.gz SWAWHGXJFSCILM-UHFFFAOYSA-N -1 0 305.403 2.126 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC001147957868 791662281 /nfs/dbraw/zinc/66/22/81/791662281.db2.gz ZGIOMXYPJSMDIO-UHFFFAOYSA-N -1 0 302.286 2.244 20 10 DECDRM CN(C)c1ncccc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC001119536738 795319263 /nfs/dbraw/zinc/31/92/63/795319263.db2.gz CVFYWWZPOQXUTC-UHFFFAOYSA-N -1 0 315.373 2.247 20 10 DECDRM O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1ccc(F)c(F)c1 ZINC001185111312 796191308 /nfs/dbraw/zinc/19/13/08/796191308.db2.gz VOPQZPSTUVNBST-UHFFFAOYSA-N -1 0 322.267 2.380 20 10 DECDRM O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)NC1CC1 ZINC001191481315 797204958 /nfs/dbraw/zinc/20/49/58/797204958.db2.gz DVIQNBKPDQJXMX-UHFFFAOYSA-N -1 0 322.320 2.452 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)C(Cl)(Cl)Cl ZINC001192035443 797309977 /nfs/dbraw/zinc/30/99/77/797309977.db2.gz UOEADCSPRCRECD-UHFFFAOYSA-N -1 0 306.554 2.167 20 10 DECDRM COc1cc(C(=O)Nc2c(O)cccc2C(C)=O)cc(O)c1O ZINC001193104409 797503144 /nfs/dbraw/zinc/50/31/44/797503144.db2.gz KHXRPYCFXHRULU-UHFFFAOYSA-N -1 0 317.297 2.267 20 10 DECDRM O=S(=O)(Cc1ccccn1)Nc1ccc(O)c(F)c1F ZINC001197823987 798249876 /nfs/dbraw/zinc/24/98/76/798249876.db2.gz BUCARXGSNODZJE-UHFFFAOYSA-N -1 0 300.286 2.007 20 10 DECDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000401329103 801824568 /nfs/dbraw/zinc/82/45/68/801824568.db2.gz BRYOCSYWCZERTM-HOSRBBHYSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])c1cncc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001594771179 953557584 /nfs/dbraw/zinc/55/75/84/953557584.db2.gz HXEJJIJKLLGQHX-UHFFFAOYSA-N -1 0 321.720 2.461 20 10 DECDRM O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC001574754371 957729099 /nfs/dbraw/zinc/72/90/99/957729099.db2.gz HWCFRRYEPLYGRA-MNOVXSKESA-N -1 0 314.179 2.498 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC(=O)[O-])ccc1C ZINC001574702868 962687578 /nfs/dbraw/zinc/68/75/78/962687578.db2.gz AMBWPTJITWZYNC-UHFFFAOYSA-N -1 0 314.341 2.029 20 10 DECDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000317605568 970372779 /nfs/dbraw/zinc/37/27/79/970372779.db2.gz CEEBZHHYFHEVNT-SNVBAGLBSA-N -1 0 307.346 2.061 20 10 DECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596364961 983855773 /nfs/dbraw/zinc/85/57/73/983855773.db2.gz RAXFDCQPHAAESU-ZFWWWQNUSA-N -1 0 319.405 2.005 20 10 DECDRM C[C@H]1[C@@H](O)CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599935451 985387007 /nfs/dbraw/zinc/38/70/07/985387007.db2.gz HIXVYFVAURKHBD-AUZMMHNKSA-N -1 0 306.318 2.042 20 10 DECDRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593183373 994075939 /nfs/dbraw/zinc/07/59/39/994075939.db2.gz DIBFTZNAMFZHAX-LLVKDONJSA-N -1 0 316.357 2.464 20 10 DECDRM C[C@@H](O)c1ncc(CN(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001593480453 995424899 /nfs/dbraw/zinc/42/48/99/995424899.db2.gz CCAHLJFWMBIDDX-SNVBAGLBSA-N -1 0 322.386 2.296 20 10 DECDRM O=C([O-])c1ccnc(NCc2cccc(Br)c2O)n1 ZINC001602483586 1069654787 /nfs/dbraw/zinc/65/47/87/1069654787.db2.gz SDBURWTYABTGMA-UHFFFAOYSA-N -1 0 324.134 2.255 20 10 DECDRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001604315192 1070321822 /nfs/dbraw/zinc/32/18/22/1070321822.db2.gz VOMVCHAHCINNPB-NSHDSACASA-N -1 0 313.357 2.337 20 10 DECDRM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC001604811149 1070502311 /nfs/dbraw/zinc/50/23/11/1070502311.db2.gz AOLGKKREBZXXEK-TZGMSPROSA-N -1 0 304.302 2.108 20 10 DECDRM Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cc(-c2nn[nH]n2)n1 ZINC001605717331 1070872919 /nfs/dbraw/zinc/87/29/19/1070872919.db2.gz FWGVULMCALQCLJ-LBPRGKRZSA-N -1 0 323.404 2.231 20 10 DECDRM COc1ccc(O)c([C@H](C)NC(=O)c2csc(C(=O)[O-])n2)c1 ZINC001607276910 1071392873 /nfs/dbraw/zinc/39/28/73/1071392873.db2.gz DBLPTKDQQLQYSW-ZETCQYMHSA-N -1 0 322.342 2.047 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(O)cc1[O-] ZINC001568737756 1065089998 /nfs/dbraw/zinc/08/99/98/1065089998.db2.gz LOVNSCFYYJWDCI-UHFFFAOYSA-N -1 0 308.330 2.219 20 10 DECDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1Cc2cccc(O)c2C1 ZINC001644088475 1078829798 /nfs/dbraw/zinc/82/97/98/1078829798.db2.gz WOAUAYJLICVGCV-UHFFFAOYSA-N -1 0 300.270 2.162 20 10 DECDRM O=C(N=[S@@]1(=O)CCc2ccccc21)c1cccc(O)c1[O-] ZINC001558469488 1075095577 /nfs/dbraw/zinc/09/55/77/1075095577.db2.gz NQGLBYWVSPYOCY-OAQYLSRUSA-N -1 0 303.339 2.321 20 10 DECDRM NC(=O)c1cccc2c1CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC001560947733 1075148237 /nfs/dbraw/zinc/14/82/37/1075148237.db2.gz GQRFBMCPCJAEGF-UHFFFAOYSA-N -1 0 318.323 2.328 20 10 DECDRM Cc1cc(C(=O)NOCCCC(=O)[O-])c(C)n1-c1ccccn1 ZINC001600096412 1077136435 /nfs/dbraw/zinc/13/64/35/1077136435.db2.gz LRKDMMXQAQFZNW-UHFFFAOYSA-N -1 0 317.345 2.015 20 10 DECDRM NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001601155343 1077349202 /nfs/dbraw/zinc/34/92/02/1077349202.db2.gz HJNLLUHJQJZEAG-LLVKDONJSA-N -1 0 318.333 2.080 20 10 DECDRM Nc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1 ZINC001601216302 1077358404 /nfs/dbraw/zinc/35/84/04/1077358404.db2.gz VAJDKFDMPZQGIP-UHFFFAOYSA-N -1 0 321.764 2.110 20 10 DECDRM CN1Cc2c(cccc2NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001658119014 1080196318 /nfs/dbraw/zinc/19/63/18/1080196318.db2.gz FDJMPYNNMDIQBW-UHFFFAOYSA-N -1 0 313.313 2.498 20 10 DECDRM CN1CCC12CN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001276837348 1083640099 /nfs/dbraw/zinc/64/00/99/1083640099.db2.gz KGHGXGUPQRTNFR-UHFFFAOYSA-N -1 0 315.186 2.184 20 10 DECDRM COC(=O)[C@@H](C)N(C)Cc1cc(F)cc(Br)c1[O-] ZINC001235301106 1084377847 /nfs/dbraw/zinc/37/78/47/1084377847.db2.gz CSKDPEAIZWQLKR-SSDOTTSWSA-N -1 0 320.158 2.287 20 10 DECDRM CCc1nnc2n1CCN(Cc1ccc(OC)c(Cl)c1[O-])C2 ZINC001236807102 1138434081 /nfs/dbraw/zinc/43/40/81/1138434081.db2.gz MMBPCNOLVWLZIV-UHFFFAOYSA-N -1 0 322.796 2.224 20 10 DECDRM O=C1NC[C@@]2(CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)O1 ZINC001237621487 1138720006 /nfs/dbraw/zinc/72/00/06/1138720006.db2.gz BAGLRKZOKLIJSD-CQSZACIVSA-N -1 0 314.744 2.259 20 10 DECDRM O=S(=O)(NCc1cocn1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251436539 1142431180 /nfs/dbraw/zinc/43/11/80/1142431180.db2.gz GWAMOZZCIUIFHP-UHFFFAOYSA-N -1 0 323.157 2.166 20 10 DECDRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001339506197 1143044902 /nfs/dbraw/zinc/04/49/02/1143044902.db2.gz SWAPWMXOWHXRQB-GFCCVEGCSA-N -1 0 307.394 2.320 20 10 DECDRM O=C(CO[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001342798479 1143837018 /nfs/dbraw/zinc/83/70/18/1143837018.db2.gz FDCBZZSLXXHPMI-SNVBAGLBSA-N -1 0 320.172 2.121 20 10 DECDRM Cn1cnc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001258998686 1144058690 /nfs/dbraw/zinc/05/86/90/1144058690.db2.gz GUBFBTSYNSNNFR-UHFFFAOYSA-N -1 0 303.343 2.080 20 10 DECDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(O)cc1O ZINC001259196362 1144075112 /nfs/dbraw/zinc/07/51/12/1144075112.db2.gz RKXROXTVGYLUQB-UHFFFAOYSA-N -1 0 309.343 2.216 20 10 DECDRM O=S(=O)([N-]c1nc(-c2ccncc2)cs1)c1ccccn1 ZINC001259281350 1144083052 /nfs/dbraw/zinc/08/30/52/1144083052.db2.gz ZJMDGNVCEJVFDN-UHFFFAOYSA-N -1 0 318.383 2.401 20 10 DECDRM C[C@H](O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC001260440768 1144187266 /nfs/dbraw/zinc/18/72/66/1144187266.db2.gz KUXUMZTVQCUQBK-VIFPVBQESA-N -1 0 319.342 2.077 20 10 DECDRM COc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1C ZINC001260440906 1144187288 /nfs/dbraw/zinc/18/72/88/1144187288.db2.gz XWVJQUGIOGIODD-UHFFFAOYSA-N -1 0 319.342 2.341 20 10 DECDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088547712 355516443 /nfs/dbraw/zinc/51/64/43/355516443.db2.gz XXMSOJLYJXXCCA-UHFFFAOYSA-N -1 0 309.391 2.358 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CNCc2nnc(C3CC3)[nH]2)c1[O-] ZINC000294879038 224281752 /nfs/dbraw/zinc/28/17/52/224281752.db2.gz VKFXSPXWHGTUBY-UHFFFAOYSA-N -1 0 323.740 2.239 20 10 DECDRM CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000278799803 402872453 /nfs/dbraw/zinc/87/24/53/402872453.db2.gz XNAZZVBKXXVVEE-GFCCVEGCSA-N -1 0 317.838 2.445 20 10 DECDRM CCNC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295029920 403741272 /nfs/dbraw/zinc/74/12/72/403741272.db2.gz XMFCNDMFDMMLQE-UHFFFAOYSA-N -1 0 315.776 2.032 20 10 DECDRM O=C(NCc1ccc2c(n1)CCCC2)c1c(F)ccc(O)c1O ZINC000295504883 403962227 /nfs/dbraw/zinc/96/22/27/403962227.db2.gz HNJPNSYEEIEUJV-UHFFFAOYSA-N -1 0 316.332 2.441 20 10 DECDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCn3cncc3C2)c1[O-] ZINC000291540919 404420534 /nfs/dbraw/zinc/42/05/34/404420534.db2.gz LGAHEKBJFCSQDO-UHFFFAOYSA-N -1 0 308.725 2.166 20 10 DECDRM C[C@@H]1CCS(=O)(=O)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000365439317 404660394 /nfs/dbraw/zinc/66/03/94/404660394.db2.gz RFHXHSCQRGVKQL-SECBINFHSA-N -1 0 321.801 2.194 20 10 DECDRM CS(=O)(=O)C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000366493233 404802549 /nfs/dbraw/zinc/80/25/49/404802549.db2.gz XQRKXFFCBFTODZ-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296347182 335143622 /nfs/dbraw/zinc/14/36/22/335143622.db2.gz IDTVVJRYESCIBC-MRVPVSSYSA-N -1 0 303.322 2.147 20 10 DECDRM Cc1cc(C(=O)N(C)CC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000237167192 526218225 /nfs/dbraw/zinc/21/82/25/526218225.db2.gz NPIHWHNGRQGRDL-UHFFFAOYSA-N -1 0 304.321 2.390 20 10 DECDRM CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000820044212 598193914 /nfs/dbraw/zinc/19/39/14/598193914.db2.gz YMGYKPYUJDHZEB-SNVBAGLBSA-N -1 0 302.714 2.153 20 10 DECDRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000821369317 598220756 /nfs/dbraw/zinc/22/07/56/598220756.db2.gz QXUQXSOZFSWZTP-DYLHUKMJSA-N -1 0 313.309 2.053 20 10 DECDRM O=C([O-])CCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000739670674 600729522 /nfs/dbraw/zinc/72/95/22/600729522.db2.gz AJFMUKWQAARJJV-UHFFFAOYSA-N -1 0 317.389 2.117 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000317153888 600803191 /nfs/dbraw/zinc/80/31/91/600803191.db2.gz PAJAHQKOPWWSKG-ZLWJDNKISA-N -1 0 304.302 2.060 20 10 DECDRM Cc1ncc(/C=C\C(=O)N(CC(=O)[O-])c2cccc(C)n2)s1 ZINC000738720541 601015167 /nfs/dbraw/zinc/01/51/67/601015167.db2.gz RFDADXXMONPISI-SREVYHEPSA-N -1 0 317.370 2.286 20 10 DECDRM COC[C@@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000831666103 601380997 /nfs/dbraw/zinc/38/09/97/601380997.db2.gz GYFZEQKJKLBEFB-PZBABLGHSA-N -1 0 306.318 2.308 20 10 DECDRM O=C([O-])c1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c[nH]1 ZINC000833361110 601790952 /nfs/dbraw/zinc/79/09/52/601790952.db2.gz ORXCQOSMOCJXLS-YRNVUSSQSA-N -1 0 305.359 2.169 20 10 DECDRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000827247506 602298866 /nfs/dbraw/zinc/29/88/66/602298866.db2.gz NLYWDYGHFRJWNR-OCCSQVGLSA-N -1 0 321.373 2.011 20 10 DECDRM CN(C)c1ccc([C@H](CNC(=O)c2ccco2)NC(=O)[O-])cc1 ZINC000828064333 603027594 /nfs/dbraw/zinc/02/75/94/603027594.db2.gz PFNGKBOCLPBDLE-ZDUSSCGKSA-N -1 0 317.345 2.084 20 10 DECDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NCc1ccccc1O ZINC000826796161 603842448 /nfs/dbraw/zinc/84/24/48/603842448.db2.gz UDQFQHGREYJZRF-LBPRGKRZSA-N -1 0 309.366 2.018 20 10 DECDRM O=C([O-])[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000833094396 604766175 /nfs/dbraw/zinc/76/61/75/604766175.db2.gz HEJJDPRHIORBIY-DZFYGRHCSA-N -1 0 314.293 2.480 20 10 DECDRM C[C@]1(O)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833570797 605161846 /nfs/dbraw/zinc/16/18/46/605161846.db2.gz DTYDRMYSTYLROS-VOKGJARPSA-N -1 0 306.318 2.044 20 10 DECDRM C[C@@]1(O)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833570800 605161915 /nfs/dbraw/zinc/16/19/15/605161915.db2.gz DTYDRMYSTYLROS-ZDTYVGOBSA-N -1 0 306.318 2.044 20 10 DECDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000085204621 634201767 /nfs/dbraw/zinc/20/17/67/634201767.db2.gz UEIRBEUMYQVJFK-UHFFFAOYSA-N -1 0 302.739 2.451 20 10 DECDRM CN(C)Cc1csc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000922487683 636198680 /nfs/dbraw/zinc/19/86/80/636198680.db2.gz UWAGEDPSEHZRNL-UHFFFAOYSA-N -1 0 313.373 2.478 20 10 DECDRM CCS(=O)(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894573003 637111983 /nfs/dbraw/zinc/11/19/83/637111983.db2.gz NGNXZLMWLVLBTC-UHFFFAOYSA-N -1 0 319.373 2.070 20 10 DECDRM CCOCc1nc([C@H](C)NCc2cc(F)cc(F)c2[O-])no1 ZINC000894795153 637211651 /nfs/dbraw/zinc/21/16/51/637211651.db2.gz PRIWHTOBICHGKP-QMMMGPOBSA-N -1 0 313.304 2.441 20 10 DECDRM CCN1C(=O)C(C)(C)N[C@H]1c1cccc(Br)c1[O-] ZINC000840833122 650364532 /nfs/dbraw/zinc/36/45/32/650364532.db2.gz KUMZCLHEEXPZJA-LLVKDONJSA-N -1 0 313.195 2.384 20 10 DECDRM COCc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000765055477 640731116 /nfs/dbraw/zinc/73/11/16/640731116.db2.gz RZCGXIMVSZAEEH-UHFFFAOYSA-N -1 0 319.342 2.170 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898192881 641056196 /nfs/dbraw/zinc/05/61/96/641056196.db2.gz MRTVPHHMSWJHJH-WDEREUQCSA-N -1 0 304.159 2.059 20 10 DECDRM CN(C)C(=O)CN(Cc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000775656950 642073962 /nfs/dbraw/zinc/07/39/62/642073962.db2.gz RFZKBLXYLQQLEI-UHFFFAOYSA-N -1 0 324.730 2.498 20 10 DECDRM CC[C@@H](NCc1nnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000787036727 643442479 /nfs/dbraw/zinc/44/24/79/643442479.db2.gz DUUFIKVNRSXKSB-SECBINFHSA-N -1 0 316.192 2.463 20 10 DECDRM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nnnn1C1CC1 ZINC000791011107 643920208 /nfs/dbraw/zinc/92/02/08/643920208.db2.gz OENPVZSMBLFGRL-SSDOTTSWSA-N -1 0 311.748 2.357 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000910362428 645423230 /nfs/dbraw/zinc/42/32/30/645423230.db2.gz KZFDKIBCYGDHRK-ANPLFTBSSA-N -1 0 318.329 2.308 20 10 DECDRM COc1ccc(O)c(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000911386868 645688237 /nfs/dbraw/zinc/68/82/37/645688237.db2.gz IZOURCFNMWZHHU-UHFFFAOYSA-N -1 0 321.373 2.442 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCc1ccsc1 ZINC000911483838 645720138 /nfs/dbraw/zinc/72/01/38/645720138.db2.gz GTSWVBJRLNVQST-UHFFFAOYSA-N -1 0 319.382 2.500 20 10 DECDRM CCc1[nH]ccc1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911489970 645722470 /nfs/dbraw/zinc/72/24/70/645722470.db2.gz WBNMARQQLDMUAE-UHFFFAOYSA-N -1 0 302.330 2.010 20 10 DECDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911493315 645723208 /nfs/dbraw/zinc/72/32/08/645723208.db2.gz MBXOVYHBWOKRIY-TZMCWYRMSA-N -1 0 321.373 2.009 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)CCc1ccoc1 ZINC000911493877 645723328 /nfs/dbraw/zinc/72/33/28/645723328.db2.gz PVVYYURBSWNCAS-UHFFFAOYSA-N -1 0 303.314 2.031 20 10 DECDRM Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000808479474 646091733 /nfs/dbraw/zinc/09/17/33/646091733.db2.gz GASOIUHTKTYPBE-UHFFFAOYSA-N -1 0 302.117 2.320 20 10 DECDRM CCCNS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813706802 646801633 /nfs/dbraw/zinc/80/16/33/646801633.db2.gz VOTDDCMETHZKII-UHFFFAOYSA-N -1 0 313.206 2.033 20 10 DECDRM CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816617080 647159423 /nfs/dbraw/zinc/15/94/23/647159423.db2.gz OMLKAWUNCACIFI-SECBINFHSA-N -1 0 321.801 2.051 20 10 DECDRM CCn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000816682208 647169420 /nfs/dbraw/zinc/16/94/20/647169420.db2.gz RPJDUODBFZARRC-UHFFFAOYSA-N -1 0 315.160 2.240 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC000822899096 648313777 /nfs/dbraw/zinc/31/37/77/648313777.db2.gz VYKZFWYPBPMKFK-UHFFFAOYSA-N -1 0 316.405 2.243 20 10 DECDRM CN(C)C(=O)O[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824576749 648614492 /nfs/dbraw/zinc/61/44/92/648614492.db2.gz RYORZFBQKUCZQD-SECBINFHSA-N -1 0 316.760 2.457 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826957780 648953036 /nfs/dbraw/zinc/95/30/36/648953036.db2.gz HACCWSZCGCIVDG-JTQLQIEISA-N -1 0 322.149 2.357 20 10 DECDRM O=C([O-])C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000844251800 651100127 /nfs/dbraw/zinc/10/01/27/651100127.db2.gz GCVUVYQQRADPCZ-UHFFFAOYSA-N -1 0 302.374 2.158 20 10 DECDRM COc1ncccc1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279790 651319970 /nfs/dbraw/zinc/31/99/70/651319970.db2.gz KZUUQXPRFDLAPM-UHFFFAOYSA-N -1 0 302.330 2.190 20 10 DECDRM CN(CCn1cc(Cl)cn1)c1ccc(OCC(=O)[O-])cc1 ZINC000846280002 651320185 /nfs/dbraw/zinc/32/01/85/651320185.db2.gz SANUIYBRUNSGHJ-UHFFFAOYSA-N -1 0 309.753 2.136 20 10 DECDRM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000848560277 651470553 /nfs/dbraw/zinc/47/05/53/651470553.db2.gz CHRKCNYAGTYDSO-MRVPVSSYSA-N -1 0 311.336 2.263 20 10 DECDRM CC(C)(C)n1nnc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000848564539 651471554 /nfs/dbraw/zinc/47/15/54/651471554.db2.gz OCUQZYYSAYNSOS-UHFFFAOYSA-N -1 0 313.764 2.216 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000848585894 651475968 /nfs/dbraw/zinc/47/59/68/651475968.db2.gz FHKCOVGSMCXAGZ-ZDUSSCGKSA-N -1 0 321.421 2.395 20 10 DECDRM CCOC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000128578731 684172004 /nfs/dbraw/zinc/17/20/04/684172004.db2.gz MDIFNLJZPXVERY-UHFFFAOYSA-N -1 0 302.168 2.150 20 10 DECDRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(N(C)C)cc1 ZINC000929042456 693885072 /nfs/dbraw/zinc/88/50/72/693885072.db2.gz FGZNUUJDSGPEFD-RYUDHWBXSA-N -1 0 319.405 2.461 20 10 DECDRM C[C@H](NC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929046518 693886019 /nfs/dbraw/zinc/88/60/19/693886019.db2.gz WRZWBOAHVNQTHH-NHYWBVRUSA-N -1 0 319.405 2.366 20 10 DECDRM CO[C@H](C)c1noc(CN(C)Cc2ccc(F)c(F)c2[O-])n1 ZINC000876795350 689939521 /nfs/dbraw/zinc/93/95/21/689939521.db2.gz NSCCHRQJQGHBQR-MRVPVSSYSA-N -1 0 313.304 2.393 20 10 DECDRM CCCN1CC(=O)N[C@H]1c1cc(Br)cc(F)c1[O-] ZINC000887329777 692334538 /nfs/dbraw/zinc/33/45/38/692334538.db2.gz PAVZUTSHVXFUPT-GFCCVEGCSA-N -1 0 317.158 2.134 20 10 DECDRM O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001354084282 1151871063 /nfs/dbraw/zinc/87/10/63/1151871063.db2.gz WDCDWNKLKKMHTR-WCQYABFASA-N -1 0 309.337 2.334 20 10 DECDRM [O-]c1cc(F)c(Br)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC001144306632 790854675 /nfs/dbraw/zinc/85/46/75/790854675.db2.gz KCGVZEZTZVKAAC-IUCAKERBSA-N -1 0 302.143 2.267 20 10 DECDRM CCN(CC(=O)OC)Cc1cc(Br)c(F)cc1[O-] ZINC001144307847 790856651 /nfs/dbraw/zinc/85/66/51/790856651.db2.gz DCLLYCDJHFKCLN-UHFFFAOYSA-N -1 0 320.158 2.289 20 10 DECDRM CCc1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001147880946 791647509 /nfs/dbraw/zinc/64/75/09/791647509.db2.gz NCQLVYYMYJYHQP-UHFFFAOYSA-N -1 0 308.341 2.375 20 10 DECDRM Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC2(CSC2)C1 ZINC001139133623 796330184 /nfs/dbraw/zinc/33/01/84/796330184.db2.gz JRFSXDWFSQUNPM-UHFFFAOYSA-N -1 0 303.383 2.356 20 10 DECDRM [O-]c1cc(F)cc(F)c1CN1CCN(c2nccs2)CC1 ZINC001140582962 796541020 /nfs/dbraw/zinc/54/10/20/796541020.db2.gz QYDDEXUQUHRWRI-UHFFFAOYSA-N -1 0 311.357 2.449 20 10 DECDRM Cc1cc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)ncn1 ZINC001140585469 796541753 /nfs/dbraw/zinc/54/17/53/796541753.db2.gz JRUODAXBKIBGOE-UHFFFAOYSA-N -1 0 320.343 2.091 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1)c1cccc2nccnc21 ZINC001194933866 797809090 /nfs/dbraw/zinc/80/90/90/797809090.db2.gz UXMCNTPOAAHAFS-UHFFFAOYSA-N -1 0 301.327 2.136 20 10 DECDRM CCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000932642373 799871627 /nfs/dbraw/zinc/87/16/27/799871627.db2.gz CIHDTQMQAVSMMR-LLVKDONJSA-N -1 0 309.337 2.119 20 10 DECDRM C[C@H](Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CC=C[CH]1 ZINC001231275197 801623305 /nfs/dbraw/zinc/62/33/05/801623305.db2.gz XTBIHAPFXBPZHY-AWEZNQCLSA-N -1 0 318.418 2.389 20 10 DECDRM O=C(C1CCC1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231912594 801749797 /nfs/dbraw/zinc/74/97/97/801749797.db2.gz QGCBLFQHTJSDCR-UHFFFAOYSA-N -1 0 308.809 2.490 20 10 DECDRM O=C([O-])COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001602081728 971149581 /nfs/dbraw/zinc/14/95/81/971149581.db2.gz JJWNCKNPSIDBQD-UHFFFAOYSA-N -1 0 313.309 2.012 20 10 DECDRM O=C([O-])[C@]1(C(=O)NCc2cc(Cl)ccc2O)CC=CCC1 ZINC001594862791 954288901 /nfs/dbraw/zinc/28/89/01/954288901.db2.gz LMBWMFQFZWNAJK-OAHLLOKOSA-N -1 0 309.749 2.473 20 10 DECDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593760306 954480238 /nfs/dbraw/zinc/48/02/38/954480238.db2.gz JFKKKZMLZOKUGT-JKSUJKDBSA-N -1 0 316.401 2.356 20 10 DECDRM O=C([O-])[C@@]1(C(=O)NCc2cccc(Cl)c2O)CC=CCC1 ZINC001574633155 962306601 /nfs/dbraw/zinc/30/66/01/962306601.db2.gz BKLUNRSJHYIMPL-HNNXBMFYSA-N -1 0 309.749 2.473 20 10 DECDRM Cc1ccc(O)c(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001605296596 973109139 /nfs/dbraw/zinc/10/91/39/973109139.db2.gz MMNLWIYFXFFSNF-HYXAFXHYSA-N -1 0 301.298 2.321 20 10 DECDRM O=C([O-])c1ccc(C(=O)Nc2c3nonc3ccc2Cl)nc1 ZINC001606478587 973957336 /nfs/dbraw/zinc/95/73/36/973957336.db2.gz IRLMRBVCWJTUCJ-UHFFFAOYSA-N -1 0 318.676 2.222 20 10 DECDRM COc1cnc(F)c(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599724491 991596055 /nfs/dbraw/zinc/59/60/55/991596055.db2.gz JZUPWJRORBWQAR-UHFFFAOYSA-N -1 0 320.320 2.329 20 10 DECDRM CN(Cc1ccccc1O)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598530556 992773873 /nfs/dbraw/zinc/77/38/73/992773873.db2.gz KXNBKAZKVGWNBZ-UHFFFAOYSA-N -1 0 315.329 2.078 20 10 DECDRM COc1ccc(N(C)C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)cc1OC ZINC001599584019 993588178 /nfs/dbraw/zinc/58/81/78/993588178.db2.gz LECBOPYDJOWFFV-SKDRFNHKSA-N -1 0 301.289 2.106 20 10 DECDRM COc1ccc(N(Cc2cn(CC(=O)[O-])nn2)CC(C)C)cc1 ZINC001599587245 993629637 /nfs/dbraw/zinc/62/96/37/993629637.db2.gz ZJPDXXFMRIRMBE-UHFFFAOYSA-N -1 0 318.377 2.034 20 10 DECDRM C[C@@H](NC(=O)NCc1ccccc1O)c1ncc(C(=O)[O-])s1 ZINC001593102597 993746492 /nfs/dbraw/zinc/74/64/92/993746492.db2.gz FHUJEWNIOPFKLD-MRVPVSSYSA-N -1 0 321.358 2.107 20 10 DECDRM C[C@H](NC(=O)NCc1ccccc1O)c1ncc(C(=O)[O-])s1 ZINC001593102598 993746731 /nfs/dbraw/zinc/74/67/31/993746731.db2.gz FHUJEWNIOPFKLD-QMMMGPOBSA-N -1 0 321.358 2.107 20 10 DECDRM CC(C)[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nncn1C ZINC001593209051 994233318 /nfs/dbraw/zinc/23/33/18/994233318.db2.gz HPQWMCVYSCDJBN-HZMBPMFUSA-N -1 0 318.377 2.267 20 10 DECDRM CC[C@H]([NH2+]CC[C@H](C)CCO)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604053412 1070187551 /nfs/dbraw/zinc/18/75/51/1070187551.db2.gz CBPOHHFDMOHHFA-FZMZJTMJSA-N -1 0 319.409 2.022 20 10 DECDRM C[C@](CC(=O)[O-])([NH2+]Cc1cccc(F)c1[O-])c1ccncc1 ZINC001604091864 1070209553 /nfs/dbraw/zinc/20/95/53/1070209553.db2.gz XYLCLIOZUIWJGA-MRXNPFEDSA-N -1 0 304.321 2.406 20 10 DECDRM CC[C@H](C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC001604948748 1070544978 /nfs/dbraw/zinc/54/49/78/1070544978.db2.gz SNFYGQFAJDLQAI-LCMYJQKYSA-N -1 0 307.346 2.117 20 10 DECDRM CN1CCCc2cc(CNC(=O)c3ccc(C(=O)[O-])[nH]3)ccc21 ZINC001606229666 1071091118 /nfs/dbraw/zinc/09/11/18/1071091118.db2.gz BFVLPHVVFZRQGM-UHFFFAOYSA-N -1 0 313.357 2.025 20 10 DECDRM Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001607633377 1071502653 /nfs/dbraw/zinc/50/26/53/1071502653.db2.gz MLZDLDDCVNMOLG-LLVKDONJSA-N -1 0 314.341 2.110 20 10 DECDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(N)cc1[O-] ZINC001577939740 1066956814 /nfs/dbraw/zinc/95/68/14/1066956814.db2.gz QALGZZZTGVKQGQ-UHFFFAOYSA-N -1 0 307.346 2.096 20 10 DECDRM N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC001580119210 1067500332 /nfs/dbraw/zinc/50/03/32/1067500332.db2.gz RFNPMFHAWGNUDK-MRVPVSSYSA-N -1 0 313.131 2.298 20 10 DECDRM Cc1ncoc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600757803 1077264740 /nfs/dbraw/zinc/26/47/40/1077264740.db2.gz DKWBKIXYKVAQBT-UHFFFAOYSA-N -1 0 310.737 2.429 20 10 DECDRM O=C([O-])CCCNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC001601993394 1077491020 /nfs/dbraw/zinc/49/10/20/1077491020.db2.gz KRDFXGZTNUEARR-UHFFFAOYSA-N -1 0 321.446 2.116 20 10 DECDRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)sc2c1CCC2 ZINC001602231081 1077531193 /nfs/dbraw/zinc/53/11/93/1077531193.db2.gz BYNHXNYYAMVJGR-FXBDTBDDSA-N -1 0 319.382 2.489 20 10 DECDRM O=C([O-])[C@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC001608647473 1077669731 /nfs/dbraw/zinc/66/97/31/1077669731.db2.gz UGNCRFAWOIAPJL-MRXNPFEDSA-N -1 0 313.353 2.345 20 10 DECDRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C/c1cnccn1 ZINC001608939285 1077725538 /nfs/dbraw/zinc/72/55/38/1077725538.db2.gz FADISOQFWDAJQA-VOTSOKGWSA-N -1 0 309.325 2.167 20 10 DECDRM O=C([O-])c1cnc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC001608970766 1077730014 /nfs/dbraw/zinc/73/00/14/1077730014.db2.gz CMKRZVXXGOCTLZ-UHFFFAOYSA-N -1 0 314.313 2.157 20 10 DECDRM COC(=O)c1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001610212185 1077990183 /nfs/dbraw/zinc/99/01/83/1077990183.db2.gz GBGQFJMXYPDBLH-UHFFFAOYSA-N -1 0 319.313 2.166 20 10 DECDRM O=c1cc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)cc([O-])[nH]1 ZINC001212566043 1086559024 /nfs/dbraw/zinc/55/90/24/1086559024.db2.gz AARZWEHJZLGVDP-UHFFFAOYSA-N -1 0 321.296 2.396 20 10 DECDRM CC(C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)C[C@@H](C)CC2 ZINC001252433541 1093548512 /nfs/dbraw/zinc/54/85/12/1093548512.db2.gz NQCRWCNOJBLTFC-QMMMGPOBSA-N -1 0 316.448 2.122 20 10 DECDRM COc1ccc(CN2CCN(C(C)=O)[C@H](C)C2)c([O-])c1Cl ZINC001236807106 1138436060 /nfs/dbraw/zinc/43/60/60/1138436060.db2.gz MOAGAIXRIZDDCT-SNVBAGLBSA-N -1 0 312.797 2.107 20 10 DECDRM O=S(=O)([N-]c1cccc(O)c1O)c1cccc2cccnc21 ZINC001251004480 1142366806 /nfs/dbraw/zinc/36/68/06/1142366806.db2.gz MXHHBKDCAYFRFC-UHFFFAOYSA-N -1 0 316.338 2.447 20 10 DECDRM O=S(=O)([N-]c1ccc(O)cc1O)c1cc(F)cc(F)c1 ZINC001259305563 1144087186 /nfs/dbraw/zinc/08/71/86/1144087186.db2.gz FRMLWYXXOXNCHJ-UHFFFAOYSA-N -1 0 301.270 2.177 20 10 DECDRM CS(=O)(=O)CCN(Cc1cccc(Cl)c1[O-])C1CC1 ZINC000180576738 402620079 /nfs/dbraw/zinc/62/00/79/402620079.db2.gz QAWMIVHGMLFIJK-UHFFFAOYSA-N -1 0 303.811 2.055 20 10 DECDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000277005746 403196900 /nfs/dbraw/zinc/19/69/00/403196900.db2.gz YZFINNICCHMMQI-UHFFFAOYSA-N -1 0 315.782 2.142 20 10 DECDRM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295266477 403819715 /nfs/dbraw/zinc/81/97/15/403819715.db2.gz HJJKSULFIASVJP-CYBMUJFWSA-N -1 0 312.772 2.428 20 10 DECDRM C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000377827059 287200482 /nfs/dbraw/zinc/20/04/82/287200482.db2.gz SKYWUNIWYWUDFX-MRVPVSSYSA-N -1 0 303.189 2.409 20 10 DECDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC000269299388 523656277 /nfs/dbraw/zinc/65/62/77/523656277.db2.gz BMRDZZNQBYEANB-UHFFFAOYSA-N -1 0 309.391 2.335 20 10 DECDRM CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000736800196 599852857 /nfs/dbraw/zinc/85/28/57/599852857.db2.gz XWDYYXLVXFGYMG-JKSUJKDBSA-N -1 0 316.401 2.260 20 10 DECDRM CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737089562 600063086 /nfs/dbraw/zinc/06/30/86/600063086.db2.gz YULGPHZWGIBRLY-HUUCEWRRSA-N -1 0 304.390 2.212 20 10 DECDRM O=C([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000740201917 600078872 /nfs/dbraw/zinc/07/88/72/600078872.db2.gz BLGMXVXUEKJJGT-UHFFFAOYSA-N -1 0 313.309 2.335 20 10 DECDRM CN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000737396893 600142751 /nfs/dbraw/zinc/14/27/51/600142751.db2.gz KABAZXPXCPIDMM-UHFFFAOYSA-N -1 0 314.341 2.161 20 10 DECDRM Cc1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1 ZINC000738883834 600314807 /nfs/dbraw/zinc/31/48/07/600314807.db2.gz QKIVEBAMSPITPW-UHFFFAOYSA-N -1 0 321.764 2.231 20 10 DECDRM CCN(CC(C)(C)O)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737079124 600389719 /nfs/dbraw/zinc/38/97/19/600389719.db2.gz KFCZDYLPOBJUCS-VURMDHGXSA-N -1 0 308.334 2.290 20 10 DECDRM CCOC(=O)[C@@H](C)N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829822288 601928581 /nfs/dbraw/zinc/92/85/81/601928581.db2.gz DUUYRXKIEGDRFM-BJPMOSCESA-N -1 0 322.317 2.080 20 10 DECDRM CCOC(=O)[C@H](C)N(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829822289 601928973 /nfs/dbraw/zinc/92/89/73/601928973.db2.gz DUUYRXKIEGDRFM-PCGIRMHASA-N -1 0 322.317 2.080 20 10 DECDRM CCCN(Cc1ccccc1O)C(=O)CC1CN(C(=O)[O-])C1 ZINC000826912312 603750429 /nfs/dbraw/zinc/75/04/29/603750429.db2.gz WQICUHQBNOGRQO-UHFFFAOYSA-N -1 0 306.362 2.131 20 10 DECDRM Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000830072723 603946764 /nfs/dbraw/zinc/94/67/64/603946764.db2.gz IWOVQRCKSFJSHO-KRWDZBQOSA-N -1 0 319.405 2.067 20 10 DECDRM Cc1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cnn1C ZINC000832853631 604473748 /nfs/dbraw/zinc/47/37/48/604473748.db2.gz PHOZLYFNTPYYLX-UHFFFAOYSA-N -1 0 323.780 2.174 20 10 DECDRM C[C@@H](CC(=O)NCc1ccccc1O)C1CCN(C(=O)[O-])CC1 ZINC000824665596 605285739 /nfs/dbraw/zinc/28/57/39/605285739.db2.gz VUVMFGRLBBUPFV-LBPRGKRZSA-N -1 0 320.389 2.425 20 10 DECDRM C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833566922 605529001 /nfs/dbraw/zinc/52/90/01/605529001.db2.gz IXJWTCFYIKOUBY-BRYOXRFSSA-N -1 0 319.357 2.261 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)C[C@H](NC(=O)[O-])C2CC2)cc1 ZINC000833874465 605610759 /nfs/dbraw/zinc/61/07/59/605610759.db2.gz NZUYRDRZASIUQX-HNNXBMFYSA-N -1 0 319.405 2.147 20 10 DECDRM C[C@@H](CC[NH2+]Cc1cccc(Br)c1[O-])NC(=O)[O-] ZINC000833805831 606009050 /nfs/dbraw/zinc/00/90/50/606009050.db2.gz SIPUQFORHNMHPM-QMMMGPOBSA-N -1 0 317.183 2.291 20 10 DECDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(F)c(F)c1 ZINC000726876588 636480256 /nfs/dbraw/zinc/48/02/56/636480256.db2.gz WQXPMXBIXHTYNQ-WQLSENKSSA-N -1 0 300.264 2.426 20 10 DECDRM CC1(C)CCN(Cc2cc(F)cc(F)c2[O-])CCS1(=O)=O ZINC000894580560 637114908 /nfs/dbraw/zinc/11/49/08/637114908.db2.gz HGIXZXXDRFABJP-UHFFFAOYSA-N -1 0 319.373 2.070 20 10 DECDRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000840988344 650401529 /nfs/dbraw/zinc/40/15/29/650401529.db2.gz GFBHAONZZWBDFL-GXTWGEPZSA-N -1 0 319.405 2.320 20 10 DECDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCOC1 ZINC000805226966 640319497 /nfs/dbraw/zinc/31/94/97/640319497.db2.gz RJEZXSZFLVZERC-VIFPVBQESA-N -1 0 305.161 2.287 20 10 DECDRM O=C1N[C@H](c2cc(Cl)cc(Cl)c2[O-])N2CCSC[C@H]12 ZINC000765508758 640786207 /nfs/dbraw/zinc/78/62/07/640786207.db2.gz MHRNRKDRHPWOCA-KOLCDFICSA-N -1 0 319.213 2.245 20 10 DECDRM O=C(COC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(O)c(O)c1 ZINC000783959054 643072536 /nfs/dbraw/zinc/07/25/36/643072536.db2.gz CYKLHBDDRKKQPX-UHFFFAOYSA-N -1 0 324.235 2.121 20 10 DECDRM CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000790411633 643848683 /nfs/dbraw/zinc/84/86/83/643848683.db2.gz LKPGNMXWTBWTQY-UHFFFAOYSA-N -1 0 321.354 2.454 20 10 DECDRM O=C(NCc1ccn(-c2ccccc2)n1)c1cccc(O)c1O ZINC000790559826 643866798 /nfs/dbraw/zinc/86/67/98/643866798.db2.gz YZZWRXXXVLBBGT-UHFFFAOYSA-N -1 0 309.325 2.214 20 10 DECDRM CC(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000792166942 644082474 /nfs/dbraw/zinc/08/24/74/644082474.db2.gz VZDLNNUVXJHWDZ-VIFPVBQESA-N -1 0 300.761 2.237 20 10 DECDRM CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000911300865 645672750 /nfs/dbraw/zinc/67/27/50/645672750.db2.gz UCJIOMOOPLTEOS-OLZOCXBDSA-N -1 0 322.380 2.399 20 10 DECDRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)n1cccc1 ZINC000911487859 645721631 /nfs/dbraw/zinc/72/16/31/645721631.db2.gz XJPQYMRCWOXBJR-ZDUSSCGKSA-N -1 0 316.357 2.258 20 10 DECDRM COCCNC(=S)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806598747 645851710 /nfs/dbraw/zinc/85/17/10/645851710.db2.gz LDKJDJIGKIUVKI-UHFFFAOYSA-N -1 0 309.218 2.310 20 10 DECDRM CCC[NH+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000156961807 646478687 /nfs/dbraw/zinc/47/86/87/646478687.db2.gz GGBHMOCOTHFHDA-UHFFFAOYSA-N -1 0 313.785 2.481 20 10 DECDRM O=C(C1CC1)[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000811502543 646537054 /nfs/dbraw/zinc/53/70/54/646537054.db2.gz XIAJUQNDLHAARG-ZDUSSCGKSA-N -1 0 313.756 2.365 20 10 DECDRM CCOC(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684360 646799676 /nfs/dbraw/zinc/79/96/76/646799676.db2.gz ORNCJOGADNUBKX-UHFFFAOYSA-N -1 0 306.145 2.268 20 10 DECDRM O=C1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCCC[C@H]2N1 ZINC000816498876 647142966 /nfs/dbraw/zinc/14/29/66/647142966.db2.gz SQVJNCRXEFOLQU-CHWSQXEVSA-N -1 0 312.772 2.428 20 10 DECDRM CCn1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000818344703 647456515 /nfs/dbraw/zinc/45/65/15/647456515.db2.gz GBCYQGNLTVLDML-VIFPVBQESA-N -1 0 305.338 2.071 20 10 DECDRM [O-]c1c(Br)cccc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826957781 648952960 /nfs/dbraw/zinc/95/29/60/648952960.db2.gz HACCWSZCGCIVDG-SNVBAGLBSA-N -1 0 322.149 2.357 20 10 DECDRM C[C@]1(O)CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208671 651092292 /nfs/dbraw/zinc/09/22/92/651092292.db2.gz FRCYUKCJOXDWHX-LEXSJLIMSA-N -1 0 320.345 2.434 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000844210432 651092889 /nfs/dbraw/zinc/09/28/89/651092889.db2.gz XBLDYAZWASFVQL-AGLBCWCQSA-N -1 0 320.345 2.291 20 10 DECDRM O=C([O-])/C=C\c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000844210751 651093382 /nfs/dbraw/zinc/09/33/82/651093382.db2.gz GNHZLOXNGRDBAG-TXNVCOODSA-N -1 0 306.318 2.044 20 10 DECDRM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000844939015 651185653 /nfs/dbraw/zinc/18/56/53/651185653.db2.gz YGNPQWHKYUORKV-JTQLQIEISA-N -1 0 302.168 2.450 20 10 DECDRM COc1ccc(N(C)Cc2noc(CCCC(=O)[O-])n2)cc1 ZINC000846234018 651317158 /nfs/dbraw/zinc/31/71/58/651317158.db2.gz GYHSKPTXDLFDQC-UHFFFAOYSA-N -1 0 305.334 2.122 20 10 DECDRM CCCc1nc(CN(C)c2ccc(OCC(=O)[O-])cc2)no1 ZINC000846279916 651320184 /nfs/dbraw/zinc/32/01/84/651320184.db2.gz PXTJDHKOAOHGOP-UHFFFAOYSA-N -1 0 305.334 2.122 20 10 DECDRM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1cccc(O)c1O ZINC000846655949 651343412 /nfs/dbraw/zinc/34/34/12/651343412.db2.gz SBRZFKGTWMDZSW-UHFFFAOYSA-N -1 0 324.377 2.131 20 10 DECDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848585839 651476042 /nfs/dbraw/zinc/47/60/42/651476042.db2.gz PFIMWTZXYOVFIO-ZDUSSCGKSA-N -1 0 321.421 2.393 20 10 DECDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000852944026 652482183 /nfs/dbraw/zinc/48/21/83/652482183.db2.gz HPOYSRNTUQJUQA-SECBINFHSA-N -1 0 316.448 2.488 20 10 DECDRM O=C(c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1[O-] ZINC000076918747 683948272 /nfs/dbraw/zinc/94/82/72/683948272.db2.gz IOXNWSWTWRZPRR-UHFFFAOYSA-N -1 0 313.353 2.161 20 10 DECDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000189421465 684380276 /nfs/dbraw/zinc/38/02/76/684380276.db2.gz HYFIMTQXDXIAQA-UHFFFAOYSA-N -1 0 318.354 2.463 20 10 DECDRM CN(Cc1noc(C2CCC2)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000863466835 686504230 /nfs/dbraw/zinc/50/42/30/686504230.db2.gz CPIIEZGDTSFOBX-UHFFFAOYSA-N -1 0 317.345 2.437 20 10 DECDRM NC(=O)COc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864019787 686603313 /nfs/dbraw/zinc/60/33/13/686603313.db2.gz RGUUZLNFLVUZMR-UHFFFAOYSA-N -1 0 308.284 2.147 20 10 DECDRM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000879547608 690666564 /nfs/dbraw/zinc/66/65/64/690666564.db2.gz YHSFPTPACVGOHB-UHFFFAOYSA-N -1 0 313.357 2.118 20 10 DECDRM CCOCC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)[O-] ZINC001350669036 1151383487 /nfs/dbraw/zinc/38/34/87/1151383487.db2.gz WVPKTCCRYYUIMX-JTQLQIEISA-N -1 0 305.733 2.154 20 10 DECDRM