smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000295934466 386108043 /nfs/dbraw/zinc/10/80/43/386108043.db2.gz FXFLEGPOBFGTOA-ZDUSSCGKSA-N -1 0 241.281 2.855 20 10 BFCDRM C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600184 583490686 /nfs/dbraw/zinc/49/06/86/583490686.db2.gz FSORDYHLEFLEFJ-YUMQZZPRSA-N -1 0 227.254 2.653 20 10 BFCDRM O=C(NC1CCC=CCC1)C1=CC(=O)CS1 ZINC000899804625 584240061 /nfs/dbraw/zinc/24/00/61/584240061.db2.gz SPDHRQLTLKKXPK-UHFFFAOYSA-N -1 0 237.324 2.682 20 10 BFCDRM O=C([O-])N(Cc1ccccc1O)C1CCCC1 ZINC000834062220 587743417 /nfs/dbraw/zinc/74/34/17/587743417.db2.gz HIBCUIYZLKVPFH-UHFFFAOYSA-N -1 0 235.283 2.815 20 10 BFCDRM CC1=CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876749014 590237227 /nfs/dbraw/zinc/23/72/27/590237227.db2.gz HBUIMBGWYOJKQG-UHFFFAOYSA-N -1 0 239.265 2.822 20 10 BFCDRM [O-]c1c(CN2CCC=C(F)C2)ccc(F)c1F ZINC000877174122 590296690 /nfs/dbraw/zinc/29/66/90/590296690.db2.gz QBVVSXUKJLLJFF-UHFFFAOYSA-N -1 0 243.228 2.730 20 10 BFCDRM CCCC[C@@H](Sc1nccs1)C(=O)[O-] ZINC000162004313 600936980 /nfs/dbraw/zinc/93/69/80/600936980.db2.gz DXEZVVLNBGJCGG-SSDOTTSWSA-N -1 0 231.342 2.879 20 10 BFCDRM [O-]c1c(Cl)cccc1CNC1(C(F)F)CC1 ZINC000309476632 711698555 /nfs/dbraw/zinc/69/85/55/711698555.db2.gz CFHGWGBXSLRTPX-UHFFFAOYSA-N -1 0 247.672 2.933 20 10 BFCDRM CSCCCSc1ncc(C(=O)[O-])s1 ZINC000319659470 970558982 /nfs/dbraw/zinc/55/89/82/970558982.db2.gz PFUJOUUJRANKDW-UHFFFAOYSA-N -1 0 249.382 2.687 20 10 BFCDRM Nc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175220203 977332159 /nfs/dbraw/zinc/33/21/59/977332159.db2.gz NCNOGZARFQAPEH-UHFFFAOYSA-N -1 0 246.241 2.850 20 10 BFCDRM [O-]c1c(Cl)cc(F)cc1CN1CCCCO1 ZINC001237808209 980055076 /nfs/dbraw/zinc/05/50/76/980055076.db2.gz SAWANAIFBMQTRR-UHFFFAOYSA-N -1 0 245.681 2.712 20 10 BFCDRM CC(C)[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732277078 584935713 /nfs/dbraw/zinc/93/57/13/584935713.db2.gz DLSALCZBSZSLPB-SNVBAGLBSA-N -1 0 239.340 2.714 20 10 BFCDRM CC[C@@H](NCc1cc(F)ccc1O)C(F)F ZINC000824510629 587272807 /nfs/dbraw/zinc/27/28/07/587272807.db2.gz YKVGSKTUNTUEHI-SECBINFHSA-N -1 0 233.233 2.665 20 10 BFCDRM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](F)C1 ZINC000824571155 587277021 /nfs/dbraw/zinc/27/70/21/587277021.db2.gz KSOQINVLZXWHFQ-VIFPVBQESA-N -1 0 247.672 2.729 20 10 BFCDRM CCOc1ccc(N(C)C/C=C(/C)C(=O)[O-])cc1 ZINC000830080926 587535213 /nfs/dbraw/zinc/53/52/13/587535213.db2.gz XEIQUPBMFQBGAE-LUAWRHEFSA-N -1 0 249.310 2.552 20 10 BFCDRM Cc1oc(C(=O)[O-])cc1COc1cccc(C)n1 ZINC000833753653 587730144 /nfs/dbraw/zinc/73/01/44/587730144.db2.gz URBMEEHQCGPJGT-UHFFFAOYSA-N -1 0 247.250 2.569 20 10 BFCDRM C[C@H]([NH2+]CCF)c1ccc(Cl)cc1O ZINC000841751866 587973793 /nfs/dbraw/zinc/97/37/93/587973793.db2.gz KZZPZOVDCINVET-ZETCQYMHSA-N -1 0 217.671 2.666 20 10 BFCDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000738852008 602667877 /nfs/dbraw/zinc/66/78/77/602667877.db2.gz DSIUKWFOPPQNJT-UHFFFAOYSA-N -1 0 236.315 2.641 20 10 BFCDRM CC(F)(F)CNCc1cccc(Cl)c1[O-] ZINC000697552627 964312845 /nfs/dbraw/zinc/31/28/45/964312845.db2.gz AMMZYXMCOUSYPS-UHFFFAOYSA-N -1 0 235.661 2.790 20 10 BFCDRM Nc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001210071745 969789015 /nfs/dbraw/zinc/78/90/15/969789015.db2.gz PKCDGXIIIUCAGQ-UHFFFAOYSA-N -1 0 242.278 2.640 20 10 BFCDRM C[C@@H](CC(=O)[O-])Sc1ncc(Cl)s1 ZINC001604115070 989884858 /nfs/dbraw/zinc/88/48/58/989884858.db2.gz OSERPJDSPCVJSY-BYPYZUCNSA-N -1 0 237.733 2.752 20 10 BFCDRM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H]1CF ZINC001139688793 991318185 /nfs/dbraw/zinc/31/81/85/991318185.db2.gz ANBVQRSLYUNXKQ-MRVPVSSYSA-N -1 0 245.244 2.604 20 10 BFCDRM C[C@H](Sc1ncc(C(=O)[O-])s1)C1CC1 ZINC001593678274 996091069 /nfs/dbraw/zinc/09/10/69/996091069.db2.gz IAESDYMUIKBKGY-YFKPBYRVSA-N -1 0 229.326 2.732 20 10 BFCDRM [O-]c1c(CN2CC[C@@H]2C(F)F)ccc(F)c1F ZINC000895430783 583670264 /nfs/dbraw/zinc/67/02/64/583670264.db2.gz HNBSCNKCRDUIRR-MRVPVSSYSA-N -1 0 249.207 2.510 20 10 BFCDRM O=C(NC[C@H]1CC=CCC1)C1=CC(=O)CS1 ZINC000732278940 584935536 /nfs/dbraw/zinc/93/55/36/584935536.db2.gz IKRWGZYJLVLGIL-VIFPVBQESA-N -1 0 237.324 2.540 20 10 BFCDRM C[C@@H]([NH2+]CC(C)(C)F)c1c([O-])cccc1F ZINC000886645241 592287327 /nfs/dbraw/zinc/28/73/27/592287327.db2.gz UUYBFUWJXRTLEW-MRVPVSSYSA-N -1 0 229.270 2.930 20 10 BFCDRM [O-]c1c(Cl)cccc1C[NH2+]Cc1ccco1 ZINC000162822996 633040085 /nfs/dbraw/zinc/04/00/85/633040085.db2.gz KMOSIQQLHCTYQO-UHFFFAOYSA-N -1 0 237.686 2.928 20 10 BFCDRM CC1(F)CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804282 980049452 /nfs/dbraw/zinc/04/94/52/980049452.db2.gz BSENLECCCZSRKN-UHFFFAOYSA-N -1 0 247.672 2.729 20 10 BFCDRM O=C([O-])C1(CSc2nccs2)CCCC1 ZINC000405208040 973784701 /nfs/dbraw/zinc/78/47/01/973784701.db2.gz ZLVXLKRHVYPYOK-UHFFFAOYSA-N -1 0 243.353 2.880 20 10 BFCDRM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H]1CF ZINC001140585722 960444155 /nfs/dbraw/zinc/44/41/55/960444155.db2.gz RXSVDAGDGXIFLT-SECBINFHSA-N -1 0 245.244 2.604 20 10 BFCDRM CC(C)CSc1ncc(C(=O)[O-])s1 ZINC000308161317 963263112 /nfs/dbraw/zinc/26/31/12/963263112.db2.gz WYADAPGVPDANHK-UHFFFAOYSA-N -1 0 217.315 2.589 20 10 BFCDRM Nc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210397957 969884825 /nfs/dbraw/zinc/88/48/25/969884825.db2.gz KDFJLSBIKJHYKN-UHFFFAOYSA-N -1 0 245.238 2.626 20 10 BFCDRM CN(c1ccc(N)cc1)c1ccc(C(=O)[O-])cc1 ZINC001176715529 978174704 /nfs/dbraw/zinc/17/47/04/978174704.db2.gz NWAZKDWWIKJOBT-UHFFFAOYSA-N -1 0 242.278 2.735 20 10 BFCDRM Nc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203292463 981141831 /nfs/dbraw/zinc/14/18/31/981141831.db2.gz ODZRTVAJRZFTLZ-UHFFFAOYSA-N -1 0 246.241 2.850 20 10 BFCDRM O=C([O-])c1ccoc1CSc1nccs1 ZINC000040676354 182586290 /nfs/dbraw/zinc/58/62/90/182586290.db2.gz OTWURBHNCULGJH-UHFFFAOYSA-N -1 0 241.293 2.727 20 10 BFCDRM CCN(C(=O)c1cccc(O)c1O)C1CCCC1 ZINC000126257783 384783862 /nfs/dbraw/zinc/78/38/62/384783862.db2.gz HAXRWJYRBXAEIL-UHFFFAOYSA-N -1 0 249.310 2.503 20 10 BFCDRM [O-]c1c(CN2CC[C@H]2C(F)F)ccc(F)c1F ZINC000895430784 583670344 /nfs/dbraw/zinc/67/03/44/583670344.db2.gz HNBSCNKCRDUIRR-QMMMGPOBSA-N -1 0 249.207 2.510 20 10 BFCDRM CC[C@H](C)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277988 584935607 /nfs/dbraw/zinc/93/56/07/584935607.db2.gz UGQPIERHQNVVOW-JGVFFNPUSA-N -1 0 227.329 2.618 20 10 BFCDRM CC[C@@H](C)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277989 584935658 /nfs/dbraw/zinc/93/56/58/584935658.db2.gz UGQPIERHQNVVOW-SFYZADRCSA-N -1 0 227.329 2.618 20 10 BFCDRM CC1CCN(c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736800177 585015410 /nfs/dbraw/zinc/01/54/10/585015410.db2.gz XVLSCVNJMUYMHT-UHFFFAOYSA-N -1 0 248.326 2.691 20 10 BFCDRM CC1(C)CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000768884639 585545409 /nfs/dbraw/zinc/54/54/09/585545409.db2.gz KVBAFAJXGNKIKI-QMMMGPOBSA-N -1 0 239.340 2.762 20 10 BFCDRM Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126233988 590255506 /nfs/dbraw/zinc/25/55/06/590255506.db2.gz NAHPBIAKHVQBOW-UHFFFAOYSA-N -1 0 243.262 2.659 20 10 BFCDRM C[C@@H](N[C@H](C)C(F)F)c1ccc(F)cc1O ZINC000389967370 711100851 /nfs/dbraw/zinc/10/08/51/711100851.db2.gz OKQHSHVDPZIHKM-RNFRBKRXSA-N -1 0 233.233 2.836 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CCC(F)(F)C1 ZINC000708423151 712193654 /nfs/dbraw/zinc/19/36/54/712193654.db2.gz PPQOZLQOTIWYIR-UHFFFAOYSA-N -1 0 249.207 2.511 20 10 BFCDRM CC[C@H](C)Sc1ncc(C(=O)[O-])s1 ZINC000308135207 963261683 /nfs/dbraw/zinc/26/16/83/963261683.db2.gz HRDDMSSXCTTZID-YFKPBYRVSA-N -1 0 217.315 2.732 20 10 BFCDRM Nc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001209890121 969680588 /nfs/dbraw/zinc/68/05/88/969680588.db2.gz YNGWVJJBUDKQNZ-UHFFFAOYSA-N -1 0 246.241 2.850 20 10 BFCDRM O=C([O-])c1ccc(Nc2cccc(O)c2O)cc1 ZINC001176712972 978174351 /nfs/dbraw/zinc/17/43/51/978174351.db2.gz WGRFRTYUWPMCTP-UHFFFAOYSA-N -1 0 245.234 2.540 20 10 BFCDRM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](F)C1 ZINC001139684741 987402864 /nfs/dbraw/zinc/40/28/64/987402864.db2.gz PIHXYCZWUMGTQE-MRVPVSSYSA-N -1 0 245.244 2.604 20 10 BFCDRM CC(C)=CCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001590924930 990922855 /nfs/dbraw/zinc/92/28/55/990922855.db2.gz PRGQPYHDSZZRNL-UHFFFAOYSA-N -1 0 249.310 2.796 20 10 BFCDRM CC[C@H](C)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277990 584935709 /nfs/dbraw/zinc/93/57/09/584935709.db2.gz UGQPIERHQNVVOW-YUMQZZPRSA-N -1 0 227.329 2.618 20 10 BFCDRM CCC1C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877579575 590364426 /nfs/dbraw/zinc/36/44/26/590364426.db2.gz WAQWBXZREFUHIE-UHFFFAOYSA-N -1 0 227.254 2.512 20 10 BFCDRM C[C@H]([NH2+]CC(C)(C)F)c1c([O-])cccc1F ZINC000886645242 592288059 /nfs/dbraw/zinc/28/80/59/592288059.db2.gz UUYBFUWJXRTLEW-QMMMGPOBSA-N -1 0 229.270 2.930 20 10 BFCDRM CC(C)=CCN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000833463243 605437067 /nfs/dbraw/zinc/43/70/67/605437067.db2.gz WTGXUIBNCNEDNY-UHFFFAOYSA-N -1 0 249.310 2.552 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CNC1(C(F)F)CC1 ZINC000708496049 712211736 /nfs/dbraw/zinc/21/17/36/712211736.db2.gz GZQBHJSYIRVHAP-UHFFFAOYSA-N -1 0 249.207 2.558 20 10 BFCDRM CCCCSc1ncc(C(=O)[O-])s1 ZINC000379345467 971635214 /nfs/dbraw/zinc/63/52/14/971635214.db2.gz CHONANDEMJUITO-UHFFFAOYSA-N -1 0 217.315 2.734 20 10 BFCDRM O=C([O-])CCCSc1ncc(Cl)s1 ZINC001595052928 979283626 /nfs/dbraw/zinc/28/36/26/979283626.db2.gz JOCCSJDLDYWGJZ-UHFFFAOYSA-N -1 0 237.733 2.753 20 10 BFCDRM [O-]c1c(F)cc(Cl)cc1CN1CCCCO1 ZINC001237619817 979978539 /nfs/dbraw/zinc/97/85/39/979978539.db2.gz QXKGSEIEPBTUFX-UHFFFAOYSA-N -1 0 245.681 2.712 20 10 BFCDRM C/C(=C/C(=O)[O-])CSc1ncc(Cl)s1 ZINC001588952385 984686147 /nfs/dbraw/zinc/68/61/47/984686147.db2.gz PJSILZGVWYDNTD-DJWKRKHSSA-N -1 0 249.744 2.920 20 10 BFCDRM C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1C ZINC001308789464 991135269 /nfs/dbraw/zinc/13/52/69/991135269.db2.gz BLKWPQXZKRPZGB-HTQZYQBOSA-N -1 0 227.254 2.511 20 10 BFCDRM [O-]c1c(F)ccc(F)c1CN1CCC[C@H](F)C1 ZINC001139683638 991310719 /nfs/dbraw/zinc/31/07/19/991310719.db2.gz PIHXYCZWUMGTQE-QMMMGPOBSA-N -1 0 245.244 2.604 20 10 BFCDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C1CC1 ZINC001593678273 996091238 /nfs/dbraw/zinc/09/12/38/996091238.db2.gz IAESDYMUIKBKGY-RXMQYKEDSA-N -1 0 229.326 2.732 20 10 BFCDRM Oc1cccc2c1[C@@H]([NH2+]Cc1nccs1)CC2 ZINC000296186224 183297073 /nfs/dbraw/zinc/29/70/73/183297073.db2.gz YGVNJBNCPGDYBB-JTQLQIEISA-N -1 0 246.335 2.626 20 10 BFCDRM C[C@@H](NCc1cc(F)ccc1O)C(F)(F)F ZINC000290183524 388881716 /nfs/dbraw/zinc/88/17/16/388881716.db2.gz NWXXKSNIBGGHMM-ZCFIWIBFSA-N -1 0 237.196 2.572 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CC[C@@H]1C(F)F ZINC000895432402 583670675 /nfs/dbraw/zinc/67/06/75/583670675.db2.gz ZBJUPPVYHHFKBJ-SECBINFHSA-N -1 0 249.207 2.510 20 10 BFCDRM Cc1ccc([C@@H](C)NCc2ccon2)c(O)c1 ZINC000148665229 584030932 /nfs/dbraw/zinc/03/09/32/584030932.db2.gz ZLWMPCXNNCLYEF-SNVBAGLBSA-N -1 0 232.283 2.539 20 10 BFCDRM CCC[C@H](CC)NC(=O)C1=CC(=O)CS1 ZINC000732278553 584935478 /nfs/dbraw/zinc/93/54/78/584935478.db2.gz PRJFVLCQJJHPOJ-QMMMGPOBSA-N -1 0 227.329 2.762 20 10 BFCDRM O=C(NC[C@@H]1CC=CCC1)C1=CC(=O)CS1 ZINC000732278939 584935642 /nfs/dbraw/zinc/93/56/42/584935642.db2.gz IKRWGZYJLVLGIL-SECBINFHSA-N -1 0 237.324 2.540 20 10 BFCDRM CC(C)[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732277077 584935653 /nfs/dbraw/zinc/93/56/53/584935653.db2.gz DLSALCZBSZSLPB-JTQLQIEISA-N -1 0 239.340 2.714 20 10 BFCDRM C[N@H+](Cc1ccc(F)cn1)Cc1ccccc1O ZINC000787263148 585903790 /nfs/dbraw/zinc/90/37/90/585903790.db2.gz CXFYHSRNRDATEN-UHFFFAOYSA-N -1 0 246.285 2.558 20 10 BFCDRM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](F)C1 ZINC000824571950 587277107 /nfs/dbraw/zinc/27/71/07/587277107.db2.gz SNQCVDHWXDPWSS-ZETCQYMHSA-N -1 0 247.672 2.729 20 10 BFCDRM Cc1ccc(CN[C@@H](C)C(F)(F)F)c(O)c1 ZINC000877534181 590349931 /nfs/dbraw/zinc/34/99/31/590349931.db2.gz AMHHIUNQQMDSEI-QMMMGPOBSA-N -1 0 233.233 2.741 20 10 BFCDRM [O-]c1c(CN2CCC(F)(F)C2)ccc(F)c1F ZINC000703490665 712077164 /nfs/dbraw/zinc/07/71/64/712077164.db2.gz NECZZCNRLKATKE-UHFFFAOYSA-N -1 0 249.207 2.511 20 10 BFCDRM [O-]c1c(C[NH+]2CCC(F)CC2)ccc(F)c1F ZINC000703610347 712081172 /nfs/dbraw/zinc/08/11/72/712081172.db2.gz MVGBDMLJHLBDLI-UHFFFAOYSA-N -1 0 245.244 2.604 20 10 BFCDRM [O-]c1cc(F)cc(F)c1CN1CCC(F)(F)C1 ZINC001140579839 960441323 /nfs/dbraw/zinc/44/13/23/960441323.db2.gz IYOWTNOHYCFSDU-UHFFFAOYSA-N -1 0 249.207 2.511 20 10 BFCDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCCO1 ZINC001203573585 966697780 /nfs/dbraw/zinc/69/77/80/966697780.db2.gz FBLWBLILYBEBOV-UHFFFAOYSA-N -1 0 248.109 2.836 20 10 BFCDRM CN(c1ccc(N)cc1)c1ccccc1C(=O)[O-] ZINC001210970044 970089830 /nfs/dbraw/zinc/08/98/30/970089830.db2.gz XFVZQVMHWYPZMX-UHFFFAOYSA-N -1 0 242.278 2.735 20 10 BFCDRM CC1(F)CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616862 979977844 /nfs/dbraw/zinc/97/78/44/979977844.db2.gz IPUQWJYACGFQJH-UHFFFAOYSA-N -1 0 247.672 2.729 20 10 BFCDRM Cc1ccc(O)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000732276597 584935680 /nfs/dbraw/zinc/93/56/80/584935680.db2.gz MDTHBRQOKYCTAL-UHFFFAOYSA-N -1 0 249.291 2.720 20 10 BFCDRM CC1(C)CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000768884638 585545407 /nfs/dbraw/zinc/54/54/07/585545407.db2.gz KVBAFAJXGNKIKI-MRVPVSSYSA-N -1 0 239.340 2.762 20 10 BFCDRM CC(C)(C)c1cnc(SCC(=O)[O-])s1 ZINC000070598379 597015481 /nfs/dbraw/zinc/01/54/81/597015481.db2.gz IINWPXWKJJRBGP-UHFFFAOYSA-N -1 0 231.342 2.617 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1CCC(F)(F)C1 ZINC000313305178 641553247 /nfs/dbraw/zinc/55/32/47/641553247.db2.gz BUUCALZJQHECOJ-UHFFFAOYSA-N -1 0 247.672 2.887 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](F)C1 ZINC000708441507 712194788 /nfs/dbraw/zinc/19/47/88/712194788.db2.gz IQWPTORFJFJTAX-VIFPVBQESA-N -1 0 245.244 2.604 20 10 BFCDRM Cc1nocc1NCc1c(O)cccc1Cl ZINC001203522577 966675993 /nfs/dbraw/zinc/67/59/93/966675993.db2.gz UHWITPOALVASOI-UHFFFAOYSA-N -1 0 238.674 2.954 20 10 BFCDRM CN(c1ccc(C(=O)[O-])s1)c1ccc(N)cc1 ZINC001174807383 977106254 /nfs/dbraw/zinc/10/62/54/977106254.db2.gz JRRFVKYGZSCGGT-UHFFFAOYSA-N -1 0 248.307 2.796 20 10 BFCDRM C[C@H](NCc1cccc(F)c1O)C(F)(F)F ZINC000290125798 398180269 /nfs/dbraw/zinc/18/02/69/398180269.db2.gz JFKMJQWXXUCWQV-LURJTMIESA-N -1 0 237.196 2.572 20 10 BFCDRM Oc1c(F)cccc1CN(CC(F)F)C1CC1 ZINC000272250690 188026499 /nfs/dbraw/zinc/02/64/99/188026499.db2.gz IHFAOGYZVPMNGQ-UHFFFAOYSA-N -1 0 245.244 2.761 20 10 BFCDRM CCN(C/C=C(/C)C(=O)[O-])c1ccc(OC)cc1 ZINC000829693135 587509995 /nfs/dbraw/zinc/50/99/95/587509995.db2.gz WHRMMFIRBPDARB-LUAWRHEFSA-N -1 0 249.310 2.552 20 10 BFCDRM CCN(C/C=C(\C)C(=O)[O-])c1ccc(OC)cc1 ZINC000829693136 587510074 /nfs/dbraw/zinc/51/00/74/587510074.db2.gz WHRMMFIRBPDARB-PKNBQFBNSA-N -1 0 249.310 2.552 20 10 BFCDRM C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1C ZINC000850572176 588561264 /nfs/dbraw/zinc/56/12/64/588561264.db2.gz HKRDMJYTCCZKSR-QWRGUYRKSA-N -1 0 245.326 2.538 20 10 BFCDRM CC(C)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000738855824 602649421 /nfs/dbraw/zinc/64/94/21/602649421.db2.gz ZSKMOMHGRWHPBT-UHFFFAOYSA-N -1 0 248.326 2.615 20 10 BFCDRM Nc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1 ZINC001210242756 969839953 /nfs/dbraw/zinc/83/99/53/969839953.db2.gz QDAZKNKCPXHOCX-UHFFFAOYSA-N -1 0 246.241 2.850 20 10 BFCDRM CN(c1ccc(N)cc1)c1cccc(C(=O)[O-])c1 ZINC001175331103 977380066 /nfs/dbraw/zinc/38/00/66/977380066.db2.gz OWOBDHWWUGYJFL-UHFFFAOYSA-N -1 0 242.278 2.735 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1CCCCO1 ZINC001231909267 977794183 /nfs/dbraw/zinc/79/41/83/977794183.db2.gz FJUXXFJEGHPDGA-UHFFFAOYSA-N -1 0 227.691 2.573 20 10 BFCDRM O=C([O-])c1cnc(SCCCCF)s1 ZINC001602537113 979125494 /nfs/dbraw/zinc/12/54/94/979125494.db2.gz KQTPVVARPQUQDG-UHFFFAOYSA-N -1 0 235.305 2.683 20 10 BFCDRM Oc1cc(Cl)c(Cl)cc1CN1CCC1 ZINC001236794504 979738173 /nfs/dbraw/zinc/73/81/73/979738173.db2.gz SGGQTNAMCQFZKH-UHFFFAOYSA-N -1 0 232.110 2.905 20 10 BFCDRM C[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617629 979976165 /nfs/dbraw/zinc/97/61/65/979976165.db2.gz TYULISVFBYXJOK-ZETCQYMHSA-N -1 0 229.682 2.779 20 10 BFCDRM C[C@@H]1C[C@@H](F)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139685669 991321554 /nfs/dbraw/zinc/32/15/54/991321554.db2.gz SFJIEANIYFHPIA-HTQZYQBOSA-N -1 0 245.244 2.603 20 10 BFCDRM [O-]c1cc(F)c(Cl)cc1CNCC(F)F ZINC000298186083 183259085 /nfs/dbraw/zinc/25/90/85/183259085.db2.gz WFWIKABLDJXEOH-UHFFFAOYSA-N -1 0 239.624 2.539 20 10 BFCDRM C[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000295934464 386109489 /nfs/dbraw/zinc/10/94/89/386109489.db2.gz FXFLEGPOBFGTOA-CYBMUJFWSA-N -1 0 241.281 2.855 20 10 BFCDRM C[C@H](NCc1cc(F)ccc1O)C(F)(F)F ZINC000290183517 388881505 /nfs/dbraw/zinc/88/15/05/388881505.db2.gz NWXXKSNIBGGHMM-LURJTMIESA-N -1 0 237.196 2.572 20 10 BFCDRM CC[C@@H](C)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732277987 584935515 /nfs/dbraw/zinc/93/55/15/584935515.db2.gz UGQPIERHQNVVOW-HTQZYQBOSA-N -1 0 227.329 2.618 20 10 BFCDRM [O-]c1ccc(Cl)c(F)c1CNCC(F)F ZINC000839089550 585090403 /nfs/dbraw/zinc/09/04/03/585090403.db2.gz ACXPBNRYASOPEG-UHFFFAOYSA-N -1 0 239.624 2.539 20 10 BFCDRM Cc1cc(O)c(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000826029227 587348885 /nfs/dbraw/zinc/34/88/85/587348885.db2.gz AMFUJHGMDFHQPX-UHFFFAOYSA-N -1 0 237.730 2.950 20 10 BFCDRM COc1cccc(O)c1C[NH2+]Cc1ccc(C)o1 ZINC000865724355 589458440 /nfs/dbraw/zinc/45/84/40/589458440.db2.gz QQZDJMBMALWYJT-UHFFFAOYSA-N -1 0 247.294 2.592 20 10 BFCDRM C[C@H](N[C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000389967365 711100878 /nfs/dbraw/zinc/10/08/78/711100878.db2.gz OKQHSHVDPZIHKM-BQBZGAKWSA-N -1 0 233.233 2.836 20 10 BFCDRM CC1(F)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231909666 977792232 /nfs/dbraw/zinc/79/22/32/977792232.db2.gz HKPFOQDFDWOINH-UHFFFAOYSA-N -1 0 229.682 2.589 20 10 BFCDRM O=C([O-])c1cccc(NCc2ccccc2O)c1 ZINC000036891149 957243552 /nfs/dbraw/zinc/24/35/52/957243552.db2.gz SPHGIVIKDOWDQA-UHFFFAOYSA-N -1 0 243.262 2.703 20 10 BFCDRM CC(C)CCSc1ncc(C(=O)[O-])s1 ZINC000308477167 963279630 /nfs/dbraw/zinc/27/96/30/963279630.db2.gz KYGZHFJCJUETSH-UHFFFAOYSA-N -1 0 231.342 2.980 20 10 BFCDRM Nc1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176439351 978065940 /nfs/dbraw/zinc/06/59/40/978065940.db2.gz SSEKIPYPLHNWOS-UHFFFAOYSA-N -1 0 234.280 2.772 20 10 BFCDRM C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789466 991136996 /nfs/dbraw/zinc/13/69/96/991136996.db2.gz BLKWPQXZKRPZGB-SFYZADRCSA-N -1 0 227.254 2.511 20 10 BFCDRM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](F)C1 ZINC000824571154 587276929 /nfs/dbraw/zinc/27/69/29/587276929.db2.gz KSOQINVLZXWHFQ-SECBINFHSA-N -1 0 247.672 2.729 20 10 BFCDRM Cc1ccccc1NC(=O)c1cccc(O)c1O ZINC000126234944 590255671 /nfs/dbraw/zinc/25/56/71/590255671.db2.gz IJUCVRPDYJRZIL-UHFFFAOYSA-N -1 0 243.262 2.659 20 10 BFCDRM CCCC[C@H](Sc1nccs1)C(=O)[O-] ZINC000162004160 600936974 /nfs/dbraw/zinc/93/69/74/600936974.db2.gz DXEZVVLNBGJCGG-ZETCQYMHSA-N -1 0 231.342 2.879 20 10 BFCDRM O=C([O-])c1cnc(SC2CCCC2)s1 ZINC000306244019 643312854 /nfs/dbraw/zinc/31/28/54/643312854.db2.gz UZURPUGHIQYYEJ-UHFFFAOYSA-N -1 0 229.326 2.876 20 10 BFCDRM C[C@@H](N[C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000389967372 711101296 /nfs/dbraw/zinc/10/12/96/711101296.db2.gz OKQHSHVDPZIHKM-RQJHMYQMSA-N -1 0 233.233 2.836 20 10 BFCDRM CN(c1ccsc1C(=O)[O-])c1ccc(N)cc1 ZINC001215398047 970744678 /nfs/dbraw/zinc/74/46/78/970744678.db2.gz XSBODIWXPYLSQS-UHFFFAOYSA-N -1 0 248.307 2.796 20 10 BFCDRM O=C([O-])c1cccc(Nc2cccc(O)c2O)c1 ZINC001175328915 977380027 /nfs/dbraw/zinc/38/00/27/977380027.db2.gz FJFMLTJCYPGBNZ-UHFFFAOYSA-N -1 0 245.234 2.540 20 10 BFCDRM [O-]c1c(CN2CCC[C@@H]2CF)ccc(F)c1F ZINC001233080477 978465582 /nfs/dbraw/zinc/46/55/82/978465582.db2.gz VCNJAXNXXDXDTQ-SECBINFHSA-N -1 0 245.244 2.604 20 10 BFCDRM C[C@@H]([NH2+]CCF)c1cc(Cl)ccc1O ZINC000280886846 385380829 /nfs/dbraw/zinc/38/08/29/385380829.db2.gz BFKYTPRIUYZQSH-SSDOTTSWSA-N -1 0 217.671 2.666 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CCC=C(F)C1 ZINC000894426919 583456762 /nfs/dbraw/zinc/45/67/62/583456762.db2.gz HBEUDVGAVWKEOD-UHFFFAOYSA-N -1 0 243.228 2.730 20 10 BFCDRM C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600180 583490371 /nfs/dbraw/zinc/49/03/71/583490371.db2.gz FSORDYHLEFLEFJ-HTQZYQBOSA-N -1 0 227.254 2.653 20 10 BFCDRM Cc1ccc([C@H](C)NCc2ccon2)c(O)c1 ZINC000148665398 584030857 /nfs/dbraw/zinc/03/08/57/584030857.db2.gz ZLWMPCXNNCLYEF-JTQLQIEISA-N -1 0 232.283 2.539 20 10 BFCDRM CC[C@H](NCc1cc(F)ccc1O)C(F)F ZINC000824510630 587272771 /nfs/dbraw/zinc/27/27/71/587272771.db2.gz YKVGSKTUNTUEHI-VIFPVBQESA-N -1 0 233.233 2.665 20 10 BFCDRM C[C@@H]([NH2+]CCF)c1ccc(Cl)cc1O ZINC000841751865 587973857 /nfs/dbraw/zinc/97/38/57/587973857.db2.gz KZZPZOVDCINVET-SSDOTTSWSA-N -1 0 217.671 2.666 20 10 BFCDRM C[C@@H](NCC(C)(F)F)c1cc(F)ccc1O ZINC000393508319 710608835 /nfs/dbraw/zinc/60/88/35/710608835.db2.gz INTIDWCVKXJPTM-SSDOTTSWSA-N -1 0 233.233 2.837 20 10 BFCDRM C[C@@H](NCc1cccc(Cl)c1[O-])C(F)F ZINC000389952999 711100209 /nfs/dbraw/zinc/10/02/09/711100209.db2.gz UYPMYNYNKWLSOA-ZCFIWIBFSA-N -1 0 235.661 2.789 20 10 BFCDRM C[C@@H](N[C@@H](C)c1ccc(F)cc1O)C(F)F ZINC000389967368 711101080 /nfs/dbraw/zinc/10/10/80/711101080.db2.gz OKQHSHVDPZIHKM-NKWVEPMBSA-N -1 0 233.233 2.836 20 10 BFCDRM O=C([O-])c1ccccc1Nc1cccc(O)c1O ZINC001210967677 957961985 /nfs/dbraw/zinc/96/19/85/957961985.db2.gz QOSXZRXUBSKAKW-UHFFFAOYSA-N -1 0 245.234 2.540 20 10 BFCDRM Nc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175159775 977272420 /nfs/dbraw/zinc/27/24/20/977272420.db2.gz IQMFYEOTFYLFSX-UHFFFAOYSA-N -1 0 246.241 2.850 20 10 BFCDRM O=C([O-])[C@@H](Sc1ncc(Cl)s1)C1CC1 ZINC001601688720 978830660 /nfs/dbraw/zinc/83/06/60/978830660.db2.gz FDWWBNABZYAYHQ-LURJTMIESA-N -1 0 249.744 2.752 20 10 BFCDRM C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789467 991134350 /nfs/dbraw/zinc/13/43/50/991134350.db2.gz BLKWPQXZKRPZGB-YUMQZZPRSA-N -1 0 227.254 2.511 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1CC[C@H]1C(F)F ZINC000895430648 583669473 /nfs/dbraw/zinc/66/94/73/583669473.db2.gz GWCDYDJVRDDQRT-VIFPVBQESA-N -1 0 247.672 2.885 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1CC[C@@H]1C(F)F ZINC000895430647 583669815 /nfs/dbraw/zinc/66/98/15/583669815.db2.gz GWCDYDJVRDDQRT-SECBINFHSA-N -1 0 247.672 2.885 20 10 BFCDRM C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nccn1C ZINC000850572173 588561125 /nfs/dbraw/zinc/56/11/25/588561125.db2.gz HKRDMJYTCCZKSR-GHMZBOCLSA-N -1 0 245.326 2.538 20 10 BFCDRM O=C([O-])c1coc(CSc2nccs2)c1 ZINC000051329661 599804501 /nfs/dbraw/zinc/80/45/01/599804501.db2.gz MWXLWKFULHTDOJ-UHFFFAOYSA-N -1 0 241.293 2.727 20 10 BFCDRM Cc1oc(C(=O)[O-])cc1COc1ccc(C)cn1 ZINC000738648196 600710171 /nfs/dbraw/zinc/71/01/71/600710171.db2.gz FMVFPOBKKIFWDB-UHFFFAOYSA-N -1 0 247.250 2.569 20 10 BFCDRM Cc1cc(C)cc(C=C2SC(=S)NC2=O)c1 ZINC000921261190 642593143 /nfs/dbraw/zinc/59/31/43/642593143.db2.gz BRMDPPDDSHXHCL-UXBLZVDNSA-N -1 0 249.360 2.792 20 10 BFCDRM C[C@H](NCc1cccc(Cl)c1[O-])C(F)F ZINC000389952998 711100036 /nfs/dbraw/zinc/10/00/36/711100036.db2.gz UYPMYNYNKWLSOA-LURJTMIESA-N -1 0 235.661 2.789 20 10 BFCDRM O=C([O-])[C@H](Sc1ncc(Cl)s1)C1CC1 ZINC001601688730 978830323 /nfs/dbraw/zinc/83/03/23/978830323.db2.gz FDWWBNABZYAYHQ-ZCFIWIBFSA-N -1 0 249.744 2.752 20 10 BFCDRM CN(Cc1cccc(Cl)c1[O-])CC(F)F ZINC000162496360 964847343 /nfs/dbraw/zinc/84/73/43/964847343.db2.gz VMXMTJYNKNALMO-UHFFFAOYSA-N -1 0 235.661 2.743 20 10 BFCDRM C[C@@H]1C[C@@H](F)CN1Cc1ccc(F)c(F)c1[O-] ZINC001233074718 978458895 /nfs/dbraw/zinc/45/88/95/978458895.db2.gz UQZWOTWJXBMPQF-VXNVDRBHSA-N -1 0 245.244 2.603 20 10 BFCDRM C[C@@H]1C[C@H](F)CN1Cc1ccc(F)c(F)c1[O-] ZINC001233074717 978459880 /nfs/dbraw/zinc/45/98/80/978459880.db2.gz UQZWOTWJXBMPQF-APPZFPTMSA-N -1 0 245.244 2.603 20 10 BFCDRM C[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617616 979975736 /nfs/dbraw/zinc/97/57/36/979975736.db2.gz TYULISVFBYXJOK-SSDOTTSWSA-N -1 0 229.682 2.779 20 10 BFCDRM O=C([O-])CCCOc1ccc(N2CCCC2)cc1 ZINC001608717185 980272564 /nfs/dbraw/zinc/27/25/64/980272564.db2.gz DEONZTQTQYRKCI-UHFFFAOYSA-N -1 0 249.310 2.530 20 10 BFCDRM CCCCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595775465 982535841 /nfs/dbraw/zinc/53/58/41/982535841.db2.gz GEEGVJRLVXSDSN-UHFFFAOYSA-N -1 0 237.299 2.630 20 10 BFCDRM C/C(=C\C(=O)[O-])CSc1ncc(Cl)s1 ZINC001588952386 984686129 /nfs/dbraw/zinc/68/61/29/984686129.db2.gz PJSILZGVWYDNTD-GORDUTHDSA-N -1 0 249.744 2.920 20 10 BFCDRM C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308789465 991138101 /nfs/dbraw/zinc/13/81/01/991138101.db2.gz BLKWPQXZKRPZGB-JGVFFNPUSA-N -1 0 227.254 2.511 20 10 BFCDRM C[C@@H](NCc1cccc(F)c1O)C(F)(F)F ZINC000290125800 398180534 /nfs/dbraw/zinc/18/05/34/398180534.db2.gz JFKMJQWXXUCWQV-ZCFIWIBFSA-N -1 0 237.196 2.572 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CC[C@H]1C(F)F ZINC000895432403 583670817 /nfs/dbraw/zinc/67/08/17/583670817.db2.gz ZBJUPPVYHHFKBJ-VIFPVBQESA-N -1 0 249.207 2.510 20 10 BFCDRM CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732257220 584935682 /nfs/dbraw/zinc/93/56/82/584935682.db2.gz GSGCUCCUXMVWTL-UHFFFAOYSA-N -1 0 247.319 2.726 20 10 BFCDRM CCOc1ccc(CNCC(C)(F)F)c(O)c1 ZINC000815146689 586670425 /nfs/dbraw/zinc/67/04/25/586670425.db2.gz HQVJTBHGEZJRCD-UHFFFAOYSA-N -1 0 245.269 2.536 20 10 BFCDRM [O-]c1ccc(Cl)c(F)c1CN1CC2(CC2)C1 ZINC000824534006 587274253 /nfs/dbraw/zinc/27/42/53/587274253.db2.gz WVCTVYWHGBLOMA-UHFFFAOYSA-N -1 0 241.693 2.781 20 10 BFCDRM Cc1ccc(CN[C@H](C)C(F)(F)F)c(O)c1 ZINC000877534180 590349777 /nfs/dbraw/zinc/34/97/77/590349777.db2.gz AMHHIUNQQMDSEI-MRVPVSSYSA-N -1 0 233.233 2.741 20 10 BFCDRM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](F)C1 ZINC000708441140 712194650 /nfs/dbraw/zinc/19/46/50/712194650.db2.gz IQWPTORFJFJTAX-SECBINFHSA-N -1 0 245.244 2.604 20 10 BFCDRM C[Si](C)(C)CSc1ncc(C(=O)[O-])s1 ZINC001599939123 985432894 /nfs/dbraw/zinc/43/28/94/985432894.db2.gz BQXZFZUXXGSMEG-UHFFFAOYSA-N -1 0 247.417 2.811 20 10 BFCDRM C[C@@H]1C[C@H](F)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139685670 991321410 /nfs/dbraw/zinc/32/14/10/991321410.db2.gz SFJIEANIYFHPIA-SFYZADRCSA-N -1 0 245.244 2.603 20 10 BFCDRM CC1CC(CSc2ncc(C(=O)[O-])s2)C1 ZINC001594242801 998922308 /nfs/dbraw/zinc/92/23/08/998922308.db2.gz KKKUUCLPWZYTRP-UHFFFAOYSA-N -1 0 243.353 2.980 20 10 BFCDRM C[C@H]([NH2+]CCF)c1cc(Cl)ccc1O ZINC000280886849 385380204 /nfs/dbraw/zinc/38/02/04/385380204.db2.gz BFKYTPRIUYZQSH-ZETCQYMHSA-N -1 0 217.671 2.666 20 10 BFCDRM CCC[C@@H](CC)NC(=O)C1=CC(=O)CS1 ZINC000732278551 584935518 /nfs/dbraw/zinc/93/55/18/584935518.db2.gz PRJFVLCQJJHPOJ-MRVPVSSYSA-N -1 0 227.329 2.762 20 10 BFCDRM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](F)C1 ZINC000824571949 587277127 /nfs/dbraw/zinc/27/71/27/587277127.db2.gz SNQCVDHWXDPWSS-SSDOTTSWSA-N -1 0 247.672 2.729 20 10 BFCDRM CCOc1ccc(N(C)C/C=C(\C)C(=O)[O-])cc1 ZINC000830080927 587535288 /nfs/dbraw/zinc/53/52/88/587535288.db2.gz XEIQUPBMFQBGAE-PKNBQFBNSA-N -1 0 249.310 2.552 20 10 BFCDRM CCN(CC)c1ccc(CN(C)C(=O)[O-])cc1 ZINC000739410653 602664721 /nfs/dbraw/zinc/66/47/21/602664721.db2.gz CPAZWTMIRVHTCH-UHFFFAOYSA-N -1 0 236.315 2.643 20 10 BFCDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000739710053 602664552 /nfs/dbraw/zinc/66/45/52/602664552.db2.gz PAEXTUYPMWYKMW-UHFFFAOYSA-N -1 0 248.326 2.787 20 10 BFCDRM Cc1oc(C(=O)[O-])cc1COc1ccc(C)nc1 ZINC000051361124 599707913 /nfs/dbraw/zinc/70/79/13/599707913.db2.gz TXTHAAQJNRPILL-UHFFFAOYSA-N -1 0 247.250 2.569 20 10 BFCDRM CC[C@@H](C)Sc1ncc(C(=O)[O-])s1 ZINC000308135204 963260783 /nfs/dbraw/zinc/26/07/83/963260783.db2.gz HRDDMSSXCTTZID-RXMQYKEDSA-N -1 0 217.315 2.732 20 10 BFCDRM Nc1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174809978 977105365 /nfs/dbraw/zinc/10/53/65/977105365.db2.gz YAEGSARGPPGQRZ-UHFFFAOYSA-N -1 0 234.280 2.772 20 10 BFCDRM CN(C)c1ccc(OCC2CCC2)cc1C(=O)[O-] ZINC001598328073 991348341 /nfs/dbraw/zinc/34/83/41/991348341.db2.gz DJNGYBOUVBRINQ-UHFFFAOYSA-N -1 0 249.310 2.630 20 10 BFCDRM CCC(C)(C)OC1CN(Cc2ccccc2O)C1 ZINC000529643368 324370714 /nfs/dbraw/zinc/37/07/14/324370714.db2.gz ZIZIJPNHLROQBH-UHFFFAOYSA-N -1 0 249.354 2.782 20 10 BFCDRM CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837619 586449515 /nfs/dbraw/zinc/44/95/15/586449515.db2.gz YBEXUGWYVNJRJD-UHFFFAOYSA-N -1 0 248.109 2.725 20 10 BFCDRM Nc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174953774 977183686 /nfs/dbraw/zinc/18/36/86/977183686.db2.gz ZCLXVMPQZRQVJM-UHFFFAOYSA-N -1 0 242.278 2.640 20 10 BFCDRM CN(c1csc(C(=O)[O-])c1)c1ccc(N)cc1 ZINC001176441197 978063568 /nfs/dbraw/zinc/06/35/68/978063568.db2.gz RLHSQRPCTROQDA-UHFFFAOYSA-N -1 0 248.307 2.796 20 10 BFCDRM C[C@H](CC(=O)[O-])Sc1ncc(Cl)s1 ZINC001604115072 989885422 /nfs/dbraw/zinc/88/54/22/989885422.db2.gz OSERPJDSPCVJSY-SCSAIBSYSA-N -1 0 237.733 2.752 20 10 BFCDRM [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1CF ZINC000294076999 188213016 /nfs/dbraw/zinc/21/30/16/188213016.db2.gz QVRJBOXGLVXOLN-JTQLQIEISA-N -1 0 243.709 2.980 20 10 BFCDRM [O-]c1c(F)cc(Cl)cc1CNCC(F)F ZINC000839093566 585090575 /nfs/dbraw/zinc/09/05/75/585090575.db2.gz SWXZXWXNEVASDT-UHFFFAOYSA-N -1 0 239.624 2.539 20 10 BFCDRM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](F)C1 ZINC000824570720 587277014 /nfs/dbraw/zinc/27/70/14/587277014.db2.gz FUHLEIHGYFDAPJ-QMMMGPOBSA-N -1 0 247.672 2.729 20 10 BFCDRM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](F)C1 ZINC000824570719 587277231 /nfs/dbraw/zinc/27/72/31/587277231.db2.gz FUHLEIHGYFDAPJ-MRVPVSSYSA-N -1 0 247.672 2.729 20 10 BFCDRM CCCC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846651192 588280980 /nfs/dbraw/zinc/28/09/80/588280980.db2.gz OOAAPLAKFVHVPQ-UHFFFAOYSA-N -1 0 227.329 2.762 20 10 BFCDRM C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccccc1O ZINC000850572175 588561089 /nfs/dbraw/zinc/56/10/89/588561089.db2.gz HKRDMJYTCCZKSR-MNOVXSKESA-N -1 0 245.326 2.538 20 10 BFCDRM C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1C ZINC000850572178 588561205 /nfs/dbraw/zinc/56/12/05/588561205.db2.gz HKRDMJYTCCZKSR-WDEREUQCSA-N -1 0 245.326 2.538 20 10 BFCDRM CCCN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739363407 602649097 /nfs/dbraw/zinc/64/90/97/602649097.db2.gz IUDSFMJNOLRCAE-UHFFFAOYSA-N -1 0 248.326 2.617 20 10 BFCDRM CCSCSc1ncc(C(=O)[O-])s1 ZINC001605738732 979913239 /nfs/dbraw/zinc/91/32/39/979913239.db2.gz IVAFWLGUWUEHJD-UHFFFAOYSA-N -1 0 235.355 2.644 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714556316 964097406 /nfs/dbraw/zinc/09/74/06/964097406.db2.gz SNNPLNATBSDPEW-AOOOYVTPSA-N -1 0 247.672 2.537 20 10 BFCDRM [O-]c1c(Cl)cccc1CN1C[C@@H](F)[C@H](F)C1 ZINC000714556317 964100062 /nfs/dbraw/zinc/10/00/62/964100062.db2.gz SNNPLNATBSDPEW-NXEZZACHSA-N -1 0 247.672 2.537 20 10 BFCDRM Nc1ccc(Nc2ccsc2C(=O)[O-])cc1 ZINC001215394959 970739822 /nfs/dbraw/zinc/73/98/22/970739822.db2.gz BXQNNBFBPFGAAW-UHFFFAOYSA-N -1 0 234.280 2.772 20 10 BFCDRM CN(Cc1ccncc1)Cc1c(O)cccc1F ZINC001137831614 990854546 /nfs/dbraw/zinc/85/45/46/990854546.db2.gz HKLADBNHOJVSGR-UHFFFAOYSA-N -1 0 246.285 2.558 20 10 BFCDRM