smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccccc2Br)nc1C(=O)[O-] ZINC000082586386 178123027 /nfs/dbraw/zinc/12/30/27/178123027.db2.gz LAVBANSPDUZBGE-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM CCS(=O)(=O)C(C)=C([O-])c1cccc(Cl)c1 ZINC000082744205 178269119 /nfs/dbraw/zinc/26/91/19/178269119.db2.gz JXFQCRHETKXKFM-QMMMGPOBSA-N -1 0 260.742 2.346 40 0 CEABRM CCc1ccccc1N1C(=O)S[C@@H](CC(=O)[O-])C1=O ZINC000036635201 361849314 /nfs/dbraw/zinc/84/93/14/361849314.db2.gz MURNYJAHMPUCPU-JTQLQIEISA-N -1 0 279.317 2.292 40 0 CEABRM COc1ccc(Cn2nc(C)c(C(=O)[O-])c2C)cc1 ZINC000036778152 361857220 /nfs/dbraw/zinc/85/72/20/361857220.db2.gz VXRHBEFSYUXBLQ-UHFFFAOYSA-N -1 0 260.293 2.255 40 0 CEABRM Cc1nc(-c2ccc(C(C)C)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000041084651 362017554 /nfs/dbraw/zinc/01/75/54/362017554.db2.gz DDBHRJHZGVHJFE-UHFFFAOYSA-N -1 0 286.331 2.496 40 0 CEABRM O=C([O-])c1cnc(Cc2ccccc2)nc1N1CCCC1 ZINC000049469052 362365656 /nfs/dbraw/zinc/36/56/56/362365656.db2.gz MLCMZMDZCQKCDR-UHFFFAOYSA-N -1 0 283.331 2.366 40 0 CEABRM O=C([O-])c1nn(-c2ccc(Cl)cc2)nc1N1CCCC1 ZINC000256045658 344646627 /nfs/dbraw/zinc/64/66/27/344646627.db2.gz AHEWOGFABIMNRA-UHFFFAOYSA-N -1 0 292.726 2.219 40 0 CEABRM CCCNc1nn(-c2ccccc2Cl)nc1C(=O)[O-] ZINC000256047012 344646917 /nfs/dbraw/zinc/64/69/17/344646917.db2.gz JQNYCYHZHXKTIB-UHFFFAOYSA-N -1 0 280.715 2.441 40 0 CEABRM O=C([O-])[C@H](NC(=O)OCc1ccccc1)C1CC(F)(F)C1 ZINC000409432513 344889002 /nfs/dbraw/zinc/88/90/02/344889002.db2.gz OKSRAJSXDBATGG-LLVKDONJSA-N -1 0 299.273 2.411 40 0 CEABRM O=c1cc(-c2ccsc2)[n-]n1C[C@@H]1CCCO1 ZINC000409440925 344889608 /nfs/dbraw/zinc/88/96/08/344889608.db2.gz VWGDVNMDFDNFCY-JTQLQIEISA-N -1 0 250.323 2.496 40 0 CEABRM CCOc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OCC ZINC000085394858 179049359 /nfs/dbraw/zinc/04/93/59/179049359.db2.gz BIVVQVMTAXTBQO-HZMBPMFUSA-N -1 0 294.303 2.173 40 0 CEABRM Cc1cc2nc(N3CC(C(=O)[O-])C3)sc2c(C)c1 ZINC000061957922 362700157 /nfs/dbraw/zinc/70/01/57/362700157.db2.gz UVQLVYIEGQSXMB-UHFFFAOYSA-N -1 0 262.334 2.434 40 0 CEABRM O=C([O-])c1cccc(OC(=O)c2ccccc2)c1O ZINC000091297060 180124637 /nfs/dbraw/zinc/12/46/37/180124637.db2.gz JFIZCLLGNOIHKI-UHFFFAOYSA-N -1 0 258.229 2.310 40 0 CEABRM O=C([O-])C[C@H]1CSc2nc(-c3ccccc3)cc(=O)n21 ZINC000085397265 304087303 /nfs/dbraw/zinc/08/73/03/304087303.db2.gz ZBIVBADFYYFQOA-JTQLQIEISA-N -1 0 288.328 2.032 40 0 CEABRM O=C([O-])Cn1ccc(=O)c2c(Cl)cc(Cl)cc21 ZINC000226101700 304090985 /nfs/dbraw/zinc/09/09/85/304090985.db2.gz JYSKONRVZZYCPM-UHFFFAOYSA-N -1 0 272.087 2.393 40 0 CEABRM CC(C)Oc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000035006 361118991 /nfs/dbraw/zinc/11/89/91/361118991.db2.gz ZJDOVGPDRKBVER-ZYHUDNBSSA-N -1 0 267.350 2.262 40 0 CEABRM C[C@@H]1c2ccccc2N=C2S[C@@H](CC(=O)[O-])C(=O)N21 ZINC000006266461 361336217 /nfs/dbraw/zinc/33/62/17/361336217.db2.gz JHGGILBGFIXZMZ-XCBNKYQSSA-N -1 0 276.317 2.167 40 0 CEABRM Cc1c2c(nn1C)nc(SCC(=O)[O-])cc2C(F)F ZINC000012398884 361382926 /nfs/dbraw/zinc/38/29/26/361382926.db2.gz LNGJJJQRYKNHRL-UHFFFAOYSA-N -1 0 287.291 2.391 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2cccnc2)C1 ZINC000015020605 361465217 /nfs/dbraw/zinc/46/52/17/361465217.db2.gz SJINPULFJCWKFE-VXGBXAGGSA-N -1 0 292.335 2.117 40 0 CEABRM CS(=O)(=O)NCCCCCCCCCCC(=O)[O-] ZINC000016248542 361485412 /nfs/dbraw/zinc/48/54/12/361485412.db2.gz QMRGGBNDNLGRDB-UHFFFAOYSA-N -1 0 279.402 2.131 40 0 CEABRM Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)[n-]c(=O)c1F ZINC000019579191 361545547 /nfs/dbraw/zinc/54/55/47/361545547.db2.gz IHUOJDZGOOYKBR-LLVKDONJSA-N -1 0 293.342 2.071 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000022200463 361588143 /nfs/dbraw/zinc/58/81/43/361588143.db2.gz DIFRWCMZFYQBQP-RQJHMYQMSA-N -1 0 283.246 2.116 40 0 CEABRM CCc1c(C)[n-]n2c1nc(C[C@H](C)n1cccn1)cc2=O ZINC000100231148 364542379 /nfs/dbraw/zinc/54/23/79/364542379.db2.gz KFALIZUCZJSEKB-JTQLQIEISA-N -1 0 285.351 2.306 40 0 CEABRM COc1ccccc1C[C@@H](OCC(C)C)C(=O)[O-] ZINC000225098399 189744238 /nfs/dbraw/zinc/74/42/38/189744238.db2.gz RRVJQLSVLQKNIY-CYBMUJFWSA-N -1 0 252.310 2.364 40 0 CEABRM Cc1c(NC(=S)NC[C@@H]2CCCO2)cccc1C(=O)[O-] ZINC000225155190 189744728 /nfs/dbraw/zinc/74/47/28/189744728.db2.gz XGHGOFRDNCMKSX-JTQLQIEISA-N -1 0 294.376 2.159 40 0 CEABRM CCOc1cccc(-c2nnsc2C(=O)[O-])c1 ZINC000225325180 189746452 /nfs/dbraw/zinc/74/64/52/189746452.db2.gz ZFFXJUUXVZRRSQ-UHFFFAOYSA-N -1 0 250.279 2.302 40 0 CEABRM CO[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000215957152 370182329 /nfs/dbraw/zinc/18/23/29/370182329.db2.gz IFDGWHIQLKFBNU-VIFPVBQESA-N -1 0 259.099 2.091 40 0 CEABRM O=C([O-])C(F)(F)[S@@](=O)c1nc2ccccc2s1 ZINC000217577366 370199219 /nfs/dbraw/zinc/19/92/19/370199219.db2.gz XICSTRSIORLZQK-KRWDZBQOSA-N -1 0 277.273 2.081 40 0 CEABRM COc1ccc(C[C@@H](OCC(C)C)C(=O)[O-])c(OC)c1 ZINC000225114060 370285465 /nfs/dbraw/zinc/28/54/65/370285465.db2.gz VPKIHLORJXMRJV-CQSZACIVSA-N -1 0 282.336 2.372 40 0 CEABRM CCCCCCC1=C(C)C(=O)N([C@H](C)C(=O)[O-])C1=O ZINC000253398175 371514731 /nfs/dbraw/zinc/51/47/31/371514731.db2.gz GRHGSHZGVBVDJV-SNVBAGLBSA-N -1 0 267.325 2.115 40 0 biogenic,in-vitro CEABRM O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000035572300 304199023 /nfs/dbraw/zinc/19/90/23/304199023.db2.gz XHVLNZYOGDJEAN-CYBMUJFWSA-N -1 0 289.331 2.273 40 0 CEABRM O=C([O-])c1conc1[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000504512030 379073644 /nfs/dbraw/zinc/07/36/44/379073644.db2.gz JKBQXGJBPJMFBC-JTQLQIEISA-N -1 0 287.193 2.473 40 0 CEABRM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614639 296355979 /nfs/dbraw/zinc/35/59/79/296355979.db2.gz HQGJKFJOZCPTLE-FVCCEPFGSA-N -1 0 265.353 2.348 40 0 CEABRM O=C([O-])c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 ZINC000020244020 304251021 /nfs/dbraw/zinc/25/10/21/304251021.db2.gz DRLYNTSQVIAXRZ-CYBMUJFWSA-N -1 0 268.272 2.239 40 0 CEABRM O=C([O-])c1cccc(-c2ccc3c(c2)C(=O)C(=O)N3)c1 ZINC000016946290 304255130 /nfs/dbraw/zinc/25/51/30/304255130.db2.gz CKSJNYUPIPBGLO-UHFFFAOYSA-N -1 0 267.240 2.187 40 0 CEABRM O=c1c2c([n-]n1-c1ccc(F)cc1)[nH]c1c(c2=O)CCCC1 ZINC000008020841 285208111 /nfs/dbraw/zinc/20/81/11/285208111.db2.gz OBKVJUJESZFJNA-UHFFFAOYSA-N -1 0 299.305 2.025 40 0 CEABRM O=C([O-])c1nn(-c2cccnc2Cl)nc1C(F)(F)F ZINC000089261905 304284743 /nfs/dbraw/zinc/28/47/43/304284743.db2.gz RGPUITGHGOWUSK-UHFFFAOYSA-N -1 0 292.604 2.033 40 0 CEABRM O=C([O-])c1nnc2sc(-c3cccc(Cl)c3)nn21 ZINC000057332653 304285109 /nfs/dbraw/zinc/28/51/09/304285109.db2.gz DTVNCKNWHCQVGX-UHFFFAOYSA-N -1 0 280.696 2.204 40 0 CEABRM COc1ccccc1CNC(=O)c1ccccc1C(=O)[O-] ZINC000033644888 394492211 /nfs/dbraw/zinc/49/22/11/394492211.db2.gz HOXPOIABFVGZGT-UHFFFAOYSA-N -1 0 285.299 2.323 40 0 CEABRM COc1ccc(/C=C/CC(=O)[O-])c(OC)c1OC ZINC000062710467 394569907 /nfs/dbraw/zinc/56/99/07/394569907.db2.gz SNVXUJGOFWXLEJ-SNAWJCMRSA-N -1 0 252.266 2.200 40 0 CEABRM O=C([O-])c1nn(CC2CCC2)cc1Br ZINC000096509054 394693382 /nfs/dbraw/zinc/69/33/82/394693382.db2.gz UAOHWTJUKZYCDG-UHFFFAOYSA-N -1 0 259.103 2.144 40 0 CEABRM O=C([O-])CN1C(=O)C(c2ccccc2)=NC12CCCCC2 ZINC000096516412 394694044 /nfs/dbraw/zinc/69/40/44/394694044.db2.gz XHBXUNICUVINIJ-UHFFFAOYSA-N -1 0 286.331 2.063 40 0 CEABRM O=C([O-])[C@@H]1CCN(c2cc(-c3ccc(F)cc3)ncn2)C1 ZINC000096516865 394694399 /nfs/dbraw/zinc/69/43/99/394694399.db2.gz PCXKHDHZAQQMLM-LLVKDONJSA-N -1 0 287.294 2.194 40 0 CEABRM O=C([O-])c1cnn2c1N[C@@H](c1cc(F)cc(F)c1)C2 ZINC000096530321 394698342 /nfs/dbraw/zinc/69/83/42/394698342.db2.gz BLQJMIADVKSFIA-SNVBAGLBSA-N -1 0 265.219 2.026 40 0 CEABRM C=C=C[C@@](NC(=O)c1ccccc1)(C(=O)[O-])C(F)(F)F ZINC000005600897 170118228 /nfs/dbraw/zinc/11/82/28/170118228.db2.gz GZCTUAHLWGSBBV-GFCCVEGCSA-N -1 0 285.221 2.143 40 0 CEABRM CCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000005903823 170152608 /nfs/dbraw/zinc/15/26/08/170152608.db2.gz XWEGRGVPZXXZOB-UHFFFAOYSA-N -1 0 286.740 2.261 40 0 CEABRM CC(C)(C)OC(=O)NCCCNc1ncccc1C(=O)[O-] ZINC000006732240 170235840 /nfs/dbraw/zinc/23/58/40/170235840.db2.gz ORFWQIGYRWNJSS-UHFFFAOYSA-N -1 0 295.339 2.107 40 0 CEABRM CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl ZINC000015422971 170665540 /nfs/dbraw/zinc/66/55/40/170665540.db2.gz GXWFIMRQWCRXSA-UHFFFAOYSA-N -1 0 299.710 2.320 40 0 CEABRM CN(CCC(=O)[O-])c1ccc(Br)cc1 ZINC000020133766 171021770 /nfs/dbraw/zinc/02/17/70/171021770.db2.gz PBUWWQLOLJNHAI-UHFFFAOYSA-N -1 0 258.115 2.360 40 0 CEABRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000021061089 171297183 /nfs/dbraw/zinc/29/71/83/171297183.db2.gz ODHUKRBAABLLDU-UHFFFAOYSA-N -1 0 278.333 2.078 40 0 CEABRM Cc1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000022123974 171353726 /nfs/dbraw/zinc/35/37/26/171353726.db2.gz WNWBVJWEGQWKIC-UHFFFAOYSA-N -1 0 278.695 2.026 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCc2ccccc21 ZINC000036383748 172628109 /nfs/dbraw/zinc/62/81/09/172628109.db2.gz SAHFHPVONYLTHW-NEBZKDRISA-N -1 0 283.327 2.099 40 0 CEABRM Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)[O-] ZINC000040175597 174200759 /nfs/dbraw/zinc/20/07/59/174200759.db2.gz IQONNWGIQWXZBA-UHFFFAOYSA-N -1 0 296.120 2.157 40 0 CEABRM CCCOc1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1 ZINC000040867866 174426953 /nfs/dbraw/zinc/42/69/53/174426953.db2.gz FNZPYWAJOSQOQH-VMPITWQZSA-N -1 0 277.320 2.080 40 0 CEABRM O=C([O-])/C=C/c1cc(Br)cc(F)c1O ZINC000044214728 175154161 /nfs/dbraw/zinc/15/41/61/175154161.db2.gz LXTJNQLAQCGWLY-OWOJBTEDSA-N -1 0 261.046 2.392 40 0 CEABRM CCn1c(C(=O)[O-])cc2cc(OC)c(OC)c(OC)c21 ZINC000071976881 176306753 /nfs/dbraw/zinc/30/67/53/176306753.db2.gz VWJSFBURLWIPOJ-UHFFFAOYSA-N -1 0 279.292 2.385 40 0 CEABRM CC(C)(C)OC(=O)N1CCC2(CC(C)(C(=O)[O-])C2)C1 ZINC000265540583 278383174 /nfs/dbraw/zinc/38/31/74/278383174.db2.gz HKXABFBADOYTDA-UHFFFAOYSA-N -1 0 269.341 2.498 40 0 CEABRM CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)[O-])O2)CC1 ZINC000091303345 278384384 /nfs/dbraw/zinc/38/43/84/278384384.db2.gz RGBNXKRQHVDSGM-SNVBAGLBSA-N -1 0 285.340 2.020 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2[C@H](C(F)(F)F)[C@@H]2C[C@H]1C(=O)[O-] ZINC000043642227 278420395 /nfs/dbraw/zinc/42/03/95/278420395.db2.gz AYEFRRLUMIYRFX-HSNKUXOKSA-N -1 0 295.257 2.257 40 0 CEABRM CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000238162554 278432785 /nfs/dbraw/zinc/43/27/85/278432785.db2.gz GESPPZGGIHXHHE-DTWKUNHWSA-N -1 0 257.330 2.258 40 0 CEABRM C[C@@H]1C[C@@H]2[C@H](C[C@@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000242547885 297314047 /nfs/dbraw/zinc/31/40/47/297314047.db2.gz KXKZVTQSNMTKIP-QVWMKHDWSA-N -1 0 252.232 2.453 40 0 CEABRM CCCOc1ccccc1/C=C/C(=O)NCCC(=O)[O-] ZINC000062715092 520472959 /nfs/dbraw/zinc/47/29/59/520472959.db2.gz DSCMHWDORVAPTO-BQYQJAHWSA-N -1 0 277.320 2.080 40 0 CEABRM CCOC(=O)c1cc(=O)c2c(Cl)cccc2[n-]1 ZINC000685936923 570388796 /nfs/dbraw/zinc/38/87/96/570388796.db2.gz FRHZYVFWBQAQTG-UHFFFAOYSA-N -1 0 251.669 2.358 40 0 CEABRM Cc1nn(CCC(=O)[O-])c(C(F)F)c1Br ZINC000408716865 230408803 /nfs/dbraw/zinc/40/88/03/230408803.db2.gz RZGZRUZIEZLZJQ-UHFFFAOYSA-N -1 0 283.072 2.366 40 0 CEABRM CC(C)Cn1nc(-c2ccc(F)cc2)cc(C(=O)[O-])c1=O ZINC000082463107 178039913 /nfs/dbraw/zinc/03/99/13/178039913.db2.gz AJCDYCZEEBGKND-UHFFFAOYSA-N -1 0 290.294 2.404 40 0 CEABRM COc1ccccc1-c1sc(N)nc1C(=O)[O-] ZINC000083239615 178366551 /nfs/dbraw/zinc/36/65/51/178366551.db2.gz WUZSECWXAZVFCD-UHFFFAOYSA-N -1 0 250.279 2.099 40 0 CEABRM O=C([O-])[C@@H]1CC(c2ccc(Br)cc2F)=NO1 ZINC000036985245 361879582 /nfs/dbraw/zinc/87/95/82/361879582.db2.gz FHJJJBGSBMTSJI-VIFPVBQESA-N -1 0 288.072 2.166 40 0 CEABRM C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1SC(=O)[N-]C1=O ZINC000039793462 361990835 /nfs/dbraw/zinc/99/08/35/361990835.db2.gz WJSZNDIVRAWIAN-HZGVNTEJSA-N -1 0 298.751 2.266 40 0 CEABRM O=C([O-])C1=NN(c2ccccc2Br)C(=O)C1 ZINC000042411254 362091506 /nfs/dbraw/zinc/09/15/06/362091506.db2.gz JSCGCOLHKKUWPT-UHFFFAOYSA-N -1 0 283.081 2.039 40 0 CEABRM CCc1nc(SC(=Cc2cccc(O)c2)C(=O)[O-])n[nH]1 ZINC000007342434 343359005 /nfs/dbraw/zinc/35/90/05/343359005.db2.gz JOOMXSSRLSEBBP-YFHOEESVSA-N -1 0 291.332 2.291 40 0 CEABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccsc1 ZINC000008477264 343362870 /nfs/dbraw/zinc/36/28/70/343362870.db2.gz FDJHBHIIEDNTTQ-YRNVUSSQSA-N -1 0 290.344 2.153 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](CC1CC(F)(F)C1)C(=O)[O-] ZINC000167156976 344477851 /nfs/dbraw/zinc/47/78/51/344477851.db2.gz FZKXCGBTNRNDOX-MRVPVSSYSA-N -1 0 279.283 2.400 40 0 CEABRM CCN1c2cc(Cl)ccc2OC[C@@H]1CC(=O)[O-] ZINC000409423347 344888410 /nfs/dbraw/zinc/88/84/10/344888410.db2.gz PXQAXRPXJIMGDS-VIFPVBQESA-N -1 0 255.701 2.402 40 0 CEABRM Cc1nc(Cl)cc(N[C@H](CC(C)C)C(=O)[O-])n1 ZINC000409431156 344889193 /nfs/dbraw/zinc/88/91/93/344889193.db2.gz YTNGCMOFAXTZGD-MRVPVSSYSA-N -1 0 257.721 2.350 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@H]1c1ccncc1 ZINC000409443842 344890044 /nfs/dbraw/zinc/89/00/44/344890044.db2.gz VGCVBGJLICKXSN-NWDGAFQWSA-N -1 0 292.335 2.464 40 0 CEABRM CCOCCCN(CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000582468930 344953954 /nfs/dbraw/zinc/95/39/54/344953954.db2.gz FWLXILJRVPSBBA-UHFFFAOYSA-N -1 0 275.345 2.125 40 0 CEABRM CC(C)c1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000058038095 362605809 /nfs/dbraw/zinc/60/58/09/362605809.db2.gz YRYMKNHJSAEKDI-UHFFFAOYSA-N -1 0 288.303 2.171 40 0 CEABRM O=C([O-])c1c(=O)n(-c2ccc(F)cc2)ccc1Cl ZINC000575423923 366283855 /nfs/dbraw/zinc/28/38/55/366283855.db2.gz TZEIYNQSIANIBA-UHFFFAOYSA-N -1 0 267.643 2.328 40 0 CEABRM CCOC(=O)c1[n-]c2cc(F)ccc2c(=O)c1Cl ZINC000685937362 540319339 /nfs/dbraw/zinc/31/93/39/540319339.db2.gz QQRMQLPNYUNCIT-UHFFFAOYSA-N -1 0 269.659 2.497 40 0 CEABRM CCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000049466683 283313017 /nfs/dbraw/zinc/31/30/17/283313017.db2.gz NGDIRWAMOFFFGM-TZMCWYRMSA-N -1 0 277.320 2.079 40 0 CEABRM O=C1OCC([O-])=C1c1ccccc1Br ZINC000216402357 540402764 /nfs/dbraw/zinc/40/27/64/540402764.db2.gz OKPMAIDWDPFPBB-UHFFFAOYSA-N -1 0 255.067 2.275 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccc(Br)cc1 ZINC000085393335 304098335 /nfs/dbraw/zinc/09/83/35/304098335.db2.gz BFGIQUZHUQFEOZ-PSASIEDQSA-N -1 0 285.093 2.138 40 0 CEABRM CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)NCc2cccnc2)C1 ZINC000003863649 361291183 /nfs/dbraw/zinc/29/11/83/361291183.db2.gz BWUMIDKCCNRFQN-KWCYVHTRSA-N -1 0 288.347 2.001 40 0 CEABRM COC(=O)C=C([O-])c1c(C)onc1-c1ccccc1 ZINC000004269070 361307230 /nfs/dbraw/zinc/30/72/30/361307230.db2.gz RLKGHGSKWFVPBW-UHFFFAOYSA-N -1 0 259.261 2.396 40 0 CEABRM COc1ccc(CSc2n[nH]c(=O)[n-]c2=S)cc1 ZINC000016951486 361500168 /nfs/dbraw/zinc/50/01/68/361500168.db2.gz VZPPJRKTAPIUMJ-UHFFFAOYSA-N -1 0 281.362 2.167 40 0 CEABRM Cc1nc(C2CC2)nc(N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000096516954 364425076 /nfs/dbraw/zinc/42/50/76/364425076.db2.gz JCUDTEOFMSKESB-GFCCVEGCSA-N -1 0 275.352 2.272 40 0 CEABRM CCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(C2CC2)n1 ZINC000096516940 364425913 /nfs/dbraw/zinc/42/59/13/364425913.db2.gz RBZLRPWVRIYXTP-LLVKDONJSA-N -1 0 275.352 2.217 40 0 CEABRM Cc1ccc(N2CCCc3sc(C(=O)[O-])nc32)nn1 ZINC000107085236 364708451 /nfs/dbraw/zinc/70/84/51/364708451.db2.gz AVUSTOJNUIIFIA-UHFFFAOYSA-N -1 0 276.321 2.024 40 0 CEABRM CC(=O)c1ccc(OCc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000217399889 370195039 /nfs/dbraw/zinc/19/50/39/370195039.db2.gz ZOQYXJLCVCWIBI-UHFFFAOYSA-N -1 0 286.287 2.265 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1cccs1 ZINC000222441075 370254983 /nfs/dbraw/zinc/25/49/83/370254983.db2.gz KKUJJZNCMMEUQQ-JULQROHOSA-N -1 0 291.372 2.277 40 0 CEABRM COc1ccc(-c2nc(S[C@H](C)C(=O)[O-])n[nH]2)cc1 ZINC000224973791 370284336 /nfs/dbraw/zinc/28/43/36/370284336.db2.gz ADTIBSVUIXNMOF-SSDOTTSWSA-N -1 0 279.321 2.046 40 0 CEABRM O=C([O-])c1nocc1C(=O)c1ccc(Br)cc1 ZINC000224967288 370284405 /nfs/dbraw/zinc/28/44/05/370284405.db2.gz ALDWRKGDOCHJKD-UHFFFAOYSA-N -1 0 296.076 2.366 40 0 CEABRM O=C([O-])Cn1c2cccc(F)c2nc1C1CCOCC1 ZINC000255190814 189996844 /nfs/dbraw/zinc/99/68/44/189996844.db2.gz ZRGJJFRFFPCXER-UHFFFAOYSA-N -1 0 278.283 2.154 40 0 CEABRM CN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000409191910 375520404 /nfs/dbraw/zinc/52/04/04/375520404.db2.gz QBZBSLRCYXWNSZ-FPYGCLRLSA-N -1 0 287.102 2.222 40 0 CEABRM CCOC(=O)c1[n-]c(Br)nc1Cl ZINC000261508911 190040733 /nfs/dbraw/zinc/04/07/33/190040733.db2.gz YERQIBXTTADYKS-UHFFFAOYSA-N -1 0 253.483 2.002 40 0 CEABRM O=C([O-])c1cc(Br)cc2c1CCC2=O ZINC000085224882 304221210 /nfs/dbraw/zinc/22/12/10/304221210.db2.gz OIDIHMHLTYUHPH-UHFFFAOYSA-N -1 0 255.067 2.276 40 0 CEABRM O=C([O-])c1ccc2c(ccn(-c3ccccc3)c2=O)n1 ZINC000020153983 304254259 /nfs/dbraw/zinc/25/42/59/304254259.db2.gz VNCQSYPDPGDHEH-UHFFFAOYSA-N -1 0 266.256 2.084 40 0 CEABRM O=C([O-])c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O ZINC000073696279 304275125 /nfs/dbraw/zinc/27/51/25/304275125.db2.gz JWWQWUVNFSKCRM-UHFFFAOYSA-N -1 0 284.193 2.154 40 0 CEABRM COc1cc(/C=C/CC(=O)[O-])cc(OC)c1OC ZINC000034436520 394492228 /nfs/dbraw/zinc/49/22/28/394492228.db2.gz OKDKPMAYWSMTAN-SNAWJCMRSA-N -1 0 252.266 2.200 40 0 CEABRM O=C([O-])Cc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716613 394570118 /nfs/dbraw/zinc/57/01/18/394570118.db2.gz FZZMZJUVVLJMSY-UHFFFAOYSA-N -1 0 292.678 2.283 40 0 CEABRM CC(=O)c1c(C)c(C(=O)[O-])n(C[C@@H]2CCCO2)c1C ZINC000096516046 394694016 /nfs/dbraw/zinc/69/40/16/394694016.db2.gz OZDYZBJBFOACIW-NSHDSACASA-N -1 0 265.309 2.185 40 0 CEABRM O=C([O-])CCN[C@H](Cc1ccccc1)C(F)(F)F ZINC000096527920 394697287 /nfs/dbraw/zinc/69/72/87/394697287.db2.gz ILCNTSHLRRZMKW-SNVBAGLBSA-N -1 0 261.243 2.224 40 0 CEABRM COC(=O)C1=C([O-])c2ccccc2[C@H](C(=O)OC)[C@@H]1C ZINC000208036931 395474901 /nfs/dbraw/zinc/47/49/01/395474901.db2.gz YFWVFGYWECDQCR-GZMMTYOYSA-N -1 0 276.288 2.035 40 0 CEABRM O=C(CSc1nc([O-])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000004853080 170030529 /nfs/dbraw/zinc/03/05/29/170030529.db2.gz ZLEHTGIDTQSUPF-UHFFFAOYSA-N -1 0 296.735 2.104 40 0 CEABRM CC(C)(C)c1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000008016285 170313473 /nfs/dbraw/zinc/31/34/73/170313473.db2.gz UGQBXUZSOYSZMF-LBPRGKRZSA-N -1 0 275.348 2.417 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC[C@@H]1CCCO1 ZINC000013813032 170597023 /nfs/dbraw/zinc/59/70/23/170597023.db2.gz MYFWZGKDBQSVJO-NSHDSACASA-N -1 0 294.376 2.159 40 0 CEABRM O=C([O-])C1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000070460014 175941994 /nfs/dbraw/zinc/94/19/94/175941994.db2.gz WEZGEKWATKJURJ-UHFFFAOYSA-N -1 0 271.320 2.378 40 0 CEABRM O=C([O-])c1ccc(O)c(NC(=O)c2cccnc2Cl)c1 ZINC000008051437 261386641 /nfs/dbraw/zinc/38/66/41/261386641.db2.gz PCFOKFGLSKYKCX-UHFFFAOYSA-N -1 0 292.678 2.391 40 0 CEABRM CC[C@H]1CCCCN1C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000001139177 288194127 /nfs/dbraw/zinc/19/41/27/288194127.db2.gz NXTVQPHDKPQPPA-AVGNSLFASA-N -1 0 265.353 2.445 40 0 CEABRM C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000005529524 300479086 /nfs/dbraw/zinc/47/90/86/300479086.db2.gz VHLOFPCUCDQZIB-RVMXOQNASA-N -1 0 267.369 2.382 40 0 CEABRM Cc1ccccc1-n1nc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000089263325 302075191 /nfs/dbraw/zinc/07/51/91/302075191.db2.gz QLKMUSJTIVPLHD-UHFFFAOYSA-N -1 0 271.198 2.293 40 0 CEABRM CCOc1cc(Cl)c(C(=O)[O-])cc1NC(C)=O ZINC000225731690 326975145 /nfs/dbraw/zinc/97/51/45/326975145.db2.gz CSHGFQJOQUNWOR-UHFFFAOYSA-N -1 0 257.673 2.395 40 0 CEABRM Cc1c(Cl)cccc1NC(=O)N/C=C/C(=O)[O-] ZINC000222696484 230398422 /nfs/dbraw/zinc/39/84/22/230398422.db2.gz UEHWREPSRGPGQV-AATRIKPKSA-N -1 0 254.673 2.368 40 0 CEABRM CCCCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1 ZINC000033440838 361779290 /nfs/dbraw/zinc/77/92/90/361779290.db2.gz DIVVLSOVSKQDCH-RMKNXTFCSA-N -1 0 277.320 2.080 40 0 CEABRM CCn1cc(C(=O)[O-])c(=O)c2ccc(Cl)cc21 ZINC000034611749 361791579 /nfs/dbraw/zinc/79/15/79/361791579.db2.gz QZUCTUIUIAGUSQ-UHFFFAOYSA-N -1 0 251.669 2.373 40 0 CEABRM CCc1nc(SC(=Cc2ccccc2O)C(=O)[O-])n[nH]1 ZINC000007342433 343358802 /nfs/dbraw/zinc/35/88/02/343358802.db2.gz HBBXDMOMMWFENH-YFHOEESVSA-N -1 0 291.332 2.291 40 0 CEABRM CCCNc1nn(-c2ccccc2CC)nc1C(=O)[O-] ZINC000256048003 344646996 /nfs/dbraw/zinc/64/69/96/344646996.db2.gz PZHYZMQEQWFVCH-UHFFFAOYSA-N -1 0 274.324 2.350 40 0 CEABRM CCOC(=O)C(C)=C([O-])c1ccc(OC)c(OC)c1 ZINC000085396785 179049624 /nfs/dbraw/zinc/04/96/24/179049624.db2.gz IMVNUSXZBYABML-VIFPVBQESA-N -1 0 266.293 2.086 40 0 CEABRM CCCOc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC ZINC000085394843 179049302 /nfs/dbraw/zinc/04/93/02/179049302.db2.gz UGSUGNKWGJXNEF-HZMBPMFUSA-N -1 0 294.303 2.173 40 0 CEABRM COc1ccc(Cl)c2c(=O)ccn([C@@H](C)C(=O)[O-])c12 ZINC000064874746 362798174 /nfs/dbraw/zinc/79/81/74/362798174.db2.gz AWOZQLMFONKENP-ZETCQYMHSA-N -1 0 281.695 2.309 40 0 CEABRM CCc1noc(-c2cc3ccccc3n2CC(=O)[O-])n1 ZINC000070458838 363086020 /nfs/dbraw/zinc/08/60/20/363086020.db2.gz WRSVZVCVFIJGLJ-UHFFFAOYSA-N -1 0 271.276 2.338 40 0 CEABRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1nccc2ccccc21 ZINC000070524110 363092840 /nfs/dbraw/zinc/09/28/40/363092840.db2.gz CSTIJJSBOPODGD-STQMWFEESA-N -1 0 284.315 2.218 40 0 CEABRM O=C([O-])c1c(Br)sc2c1CCOC2 ZINC000132751241 366168691 /nfs/dbraw/zinc/16/86/91/366168691.db2.gz HKHGPYMCQARLID-UHFFFAOYSA-N -1 0 263.112 2.282 40 0 CEABRM Cc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)no1 ZINC000575410758 366281160 /nfs/dbraw/zinc/28/11/60/366281160.db2.gz FYDQCBMWUKXYOX-HIFRSBDPSA-N -1 0 297.314 2.153 40 0 CEABRM Cc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)no1 ZINC000575410761 366281640 /nfs/dbraw/zinc/28/16/40/366281640.db2.gz FYDQCBMWUKXYOX-ZFWWWQNUSA-N -1 0 297.314 2.153 40 0 CEABRM O=C([O-])Cc1sc2ncnn2c1-c1ccc(F)cc1 ZINC000095095785 304090613 /nfs/dbraw/zinc/09/06/13/304090613.db2.gz PEYFHZIGEFELJZ-UHFFFAOYSA-N -1 0 277.280 2.224 40 0 CEABRM CCOc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1OCC ZINC000000086126 361127072 /nfs/dbraw/zinc/12/70/72/361127072.db2.gz CJYQDKYTDWQPDL-GWCFXTLKSA-N -1 0 297.376 2.272 40 0 CEABRM O=C([O-])COCC(=O)Nc1ccccc1-c1ccccc1 ZINC000001328102 361201270 /nfs/dbraw/zinc/20/12/70/361201270.db2.gz SRMHDKLQQMXQCM-UHFFFAOYSA-N -1 0 285.299 2.393 40 0 CEABRM CCCN1C(=O)S[C@@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000016740535 361497189 /nfs/dbraw/zinc/49/71/89/361497189.db2.gz RCIPHSRRKSQXGR-SNVBAGLBSA-N -1 0 294.332 2.228 40 0 CEABRM O=C([O-])c1cccc(CN2C(=O)C(=O)c3ccccc32)c1 ZINC000019518487 361541126 /nfs/dbraw/zinc/54/11/26/361541126.db2.gz QYMLACIXEINYCE-UHFFFAOYSA-N -1 0 281.267 2.114 40 0 CEABRM O=C([O-])[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000019517588 361541257 /nfs/dbraw/zinc/54/12/57/361541257.db2.gz WFEFMIVPBQYUKA-STQMWFEESA-N -1 0 259.305 2.285 40 0 CEABRM C[C@@H]1Cc2cc(Br)cc(C(=O)[O-])c2O1 ZINC000096952307 364427179 /nfs/dbraw/zinc/42/71/79/364427179.db2.gz JKACRIPAJIUBIR-RXMQYKEDSA-N -1 0 257.083 2.471 40 0 CEABRM CO[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000215957055 189699095 /nfs/dbraw/zinc/69/90/95/189699095.db2.gz ADXVNFWJNPAFDD-VIFPVBQESA-N -1 0 259.099 2.091 40 0 CEABRM O=C([O-])[C@@H]1COc2ccc(Br)cc2C1 ZINC000020244104 304136505 /nfs/dbraw/zinc/13/65/05/304136505.db2.gz BWCZGYZFEWAXEU-ZETCQYMHSA-N -1 0 257.083 2.085 40 0 CEABRM CC(C)NC(=S)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000216928865 370191975 /nfs/dbraw/zinc/19/19/75/370191975.db2.gz LWVDUEMVDZRQCH-VOTSOKGWSA-N -1 0 264.350 2.479 40 0 CEABRM CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000225610445 370307765 /nfs/dbraw/zinc/30/77/65/370307765.db2.gz YLVCROYUHZSKSG-OAHLLOKOSA-N -1 0 295.335 2.294 40 0 CEABRM CCn1ncc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1F ZINC000252480217 371441581 /nfs/dbraw/zinc/44/15/81/371441581.db2.gz BYJHGISQHFXPMU-UHFFFAOYSA-N -1 0 297.355 2.460 40 0 CEABRM O=C([O-])[C@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 ZINC000045958570 304174708 /nfs/dbraw/zinc/17/47/08/304174708.db2.gz RKZBRBLGNFGPBM-LBPRGKRZSA-N -1 0 288.347 2.114 40 0 CEABRM CCc1nnc(S/C(=C\c2ccncc2)C(=O)[O-])o1 ZINC000408631445 375515167 /nfs/dbraw/zinc/51/51/67/375515167.db2.gz JENLOYNKBKJTQI-CLFYSBASSA-N -1 0 277.305 2.245 40 0 CEABRM COC(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000008702251 170347524 /nfs/dbraw/zinc/34/75/24/170347524.db2.gz SNCSWVFGCBPCKF-UHFFFAOYSA-N -1 0 275.260 2.377 40 0 CEABRM O=C([O-])[C@H]1CCn2ccc(C(=O)c3ccccc3)c21 ZINC000067665143 304196642 /nfs/dbraw/zinc/19/66/42/304196642.db2.gz RIQZRCMKWYHMOR-LBPRGKRZSA-N -1 0 255.273 2.291 40 0 in-vitro CEABRM O=C([O-])c1c[nH]c(=S)n(C2CCCCC2)c1=O ZINC000020156251 304218514 /nfs/dbraw/zinc/21/85/14/304218514.db2.gz XSHBTVTZRNXSQO-UHFFFAOYSA-N -1 0 254.311 2.109 40 0 CEABRM O=C([O-])c1cc(-c2ccccn2)nc2cnccc21 ZINC000075824253 304219586 /nfs/dbraw/zinc/21/95/86/304219586.db2.gz GICVWSFPXYIJNT-UHFFFAOYSA-N -1 0 251.245 2.390 40 0 CEABRM Cc1cccc(OCc2nnc(SCC(=O)[O-])o2)c1 ZINC000000422852 169636855 /nfs/dbraw/zinc/63/68/55/169636855.db2.gz FUJZTWROBJNNIF-UHFFFAOYSA-N -1 0 280.305 2.134 40 0 CEABRM O=C([O-])c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001675828 304265492 /nfs/dbraw/zinc/26/54/92/304265492.db2.gz MAVYXMCSVGUDEZ-UHFFFAOYSA-N -1 0 262.286 2.218 40 0 CEABRM O=C([O-])c1cnc(Cl)cc1I ZINC000083428762 304277094 /nfs/dbraw/zinc/27/70/94/304277094.db2.gz QFFFXLLUGUHIHH-UHFFFAOYSA-N -1 0 283.452 2.038 40 0 CEABRM O=C([O-])c1cncn1-c1cccc(Br)c1 ZINC000098214078 304279867 /nfs/dbraw/zinc/27/98/67/304279867.db2.gz NDZYUMCZWUWBJW-UHFFFAOYSA-N -1 0 267.082 2.333 40 0 CEABRM O=C([O-])c1cncn1-c1ccccc1Br ZINC000098214070 304279973 /nfs/dbraw/zinc/27/99/73/304279973.db2.gz QKZBTRZGIOCEQX-UHFFFAOYSA-N -1 0 267.082 2.333 40 0 CEABRM COc1ccc(OC)c([C@H](OCC(=O)[O-])C(F)(F)F)c1 ZINC000095096429 184943636 /nfs/dbraw/zinc/94/36/36/184943636.db2.gz ZJJUAORDAGUXNS-NSHDSACASA-N -1 0 294.225 2.408 40 0 CEABRM COc1ccc(-n2cc(C(=O)[O-])cnc2=S)c(OC)c1 ZINC000217676796 394455390 /nfs/dbraw/zinc/45/53/90/394455390.db2.gz LNEGMWBFDBSNAC-UHFFFAOYSA-N -1 0 292.316 2.317 40 0 CEABRM Cc1ccc(NC2=N[C@]([O-])(C(F)(F)F)C(=O)S2)cc1 ZINC000005587951 394457872 /nfs/dbraw/zinc/45/78/72/394457872.db2.gz SVVRWOXSZOWCNK-SNVBAGLBSA-N -1 0 290.266 2.287 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000245204856 394497662 /nfs/dbraw/zinc/49/76/62/394497662.db2.gz IFJRKZCHMSSLGN-VZJVUDMVSA-N -1 0 291.347 2.468 40 0 CEABRM C[C@H](c1cccc(Br)c1)n1cc(C(=O)[O-])nn1 ZINC000096510226 394693356 /nfs/dbraw/zinc/69/33/56/394693356.db2.gz XURNSTJXFTXOKV-SSDOTTSWSA-N -1 0 296.124 2.348 40 0 CEABRM CC(C)Cc1nc(OCC(F)(F)F)cc(C(=O)[O-])n1 ZINC000096524189 394696622 /nfs/dbraw/zinc/69/66/22/394696622.db2.gz UEUZMVSMIJLBJO-UHFFFAOYSA-N -1 0 278.230 2.314 40 0 CEABRM O=C([O-])[C@H]1C[C@H]1C(=O)c1ccc(Br)cc1 ZINC000116992937 394758552 /nfs/dbraw/zinc/75/85/52/394758552.db2.gz FFFCOGICKMRJSG-BDAKNGLRSA-N -1 0 269.094 2.353 40 0 CEABRM O=C([O-])CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005568151 170114563 /nfs/dbraw/zinc/11/45/63/170114563.db2.gz UHHFIFBTWHRDDH-UHFFFAOYSA-N -1 0 263.080 2.200 40 0 CEABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccnc1 ZINC000020143448 171029061 /nfs/dbraw/zinc/02/90/61/171029061.db2.gz ABZKGYZGAZMPGO-UHFFFAOYSA-N -1 0 256.261 2.341 40 0 CEABRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000020552473 171247889 /nfs/dbraw/zinc/24/78/89/171247889.db2.gz ICFBQIVAMYDAEG-UHFFFAOYSA-N -1 0 296.323 2.217 40 0 CEABRM CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000033443452 171802618 /nfs/dbraw/zinc/80/26/18/171802618.db2.gz WKXALLDCGOLXSU-JOZWUWCOSA-N -1 0 291.347 2.324 40 0 CEABRM Cc1cc(S(=O)(=O)[O-])ccc1-c1ccc(C=O)o1 ZINC000045946702 175387897 /nfs/dbraw/zinc/38/78/97/175387897.db2.gz GWEGFWGBIBEZCZ-UHFFFAOYSA-N -1 0 266.274 2.314 40 0 CEABRM Cc1cn(-c2nc3ccccc3[nH]2)c(C(=O)[O-])c(C)c1=O ZINC000067665342 302315781 /nfs/dbraw/zinc/31/57/81/302315781.db2.gz DRAJSFKDWVFQRE-UHFFFAOYSA-N -1 0 283.287 2.029 40 0 in-vitro CEABRM O=C([O-])[C@H](OC(=O)c1cccnc1)c1ccccc1 ZINC000060133744 327018654 /nfs/dbraw/zinc/01/86/54/327018654.db2.gz AWUNQYSCRNDEPS-GFCCVEGCSA-N -1 0 257.245 2.064 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2cc(Br)ccc21 ZINC000062718818 527603496 /nfs/dbraw/zinc/60/34/96/527603496.db2.gz FRIDAVKMCMAUPZ-UHFFFAOYSA-N -1 0 296.120 2.239 40 0 CEABRM Cc1cccc(NC(=O)[C@H](C)[N-]C(=O)C(F)(F)F)c1 ZINC000408720496 538777368 /nfs/dbraw/zinc/77/73/68/538777368.db2.gz ROTDGOQNBUKSES-QMMMGPOBSA-N -1 0 274.242 2.001 40 0 CEABRM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479509 230380238 /nfs/dbraw/zinc/38/02/38/230380238.db2.gz MEGIXCJSFSFWGV-CFVMTHIKSA-N -1 0 287.359 2.422 40 0 CEABRM Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479513 230380370 /nfs/dbraw/zinc/38/03/70/230380370.db2.gz MEGIXCJSFSFWGV-NWANDNLSSA-N -1 0 287.359 2.422 40 0 CEABRM CCOC(=O)C=C([O-])c1cc(C)c(OC)c(C)c1 ZINC000095728851 185022725 /nfs/dbraw/zinc/02/27/25/185022725.db2.gz AOZOFWWKAAQEHH-UHFFFAOYSA-N -1 0 250.294 2.448 40 0 CEABRM Cc1ccccc1N1C(=O)S[C@@H](CC(=O)[O-])C1=O ZINC000036635189 361849423 /nfs/dbraw/zinc/84/94/23/361849423.db2.gz WUOLFMSEIMMBQH-VIFPVBQESA-N -1 0 265.290 2.038 40 0 CEABRM O=C([O-])[C@H]1OC(c2ccc(Cl)cc2)=NC12CC2 ZINC000006495050 343356413 /nfs/dbraw/zinc/35/64/13/343356413.db2.gz CTTNKVFEUFDGSD-SECBINFHSA-N -1 0 251.669 2.103 40 0 CEABRM Nc1cc(Nc2ccccc2C(=O)[O-])nc(C2CC2)n1 ZINC000049467670 362364567 /nfs/dbraw/zinc/36/45/67/362364567.db2.gz IKHLPNZJKAKVPZ-UHFFFAOYSA-N -1 0 270.292 2.378 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](CC(=O)[O-])CO2)C1 ZINC000110915036 344270288 /nfs/dbraw/zinc/27/02/88/344270288.db2.gz UPSVEAPCGVVPTN-ABAIWWIYSA-N -1 0 299.367 2.267 40 0 CEABRM CCN(CC)c1nn(-c2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000256046821 344647042 /nfs/dbraw/zinc/64/70/42/344647042.db2.gz IGHQLDAYUXWEIQ-UHFFFAOYSA-N -1 0 288.351 2.429 40 0 CEABRM CN(C(=O)OC(C)(C)C)C1CC2(CC(C(=O)[O-])C2)C1 ZINC000400546909 344863470 /nfs/dbraw/zinc/86/34/70/344863470.db2.gz HUZYMPJUWSLIOC-UHFFFAOYSA-N -1 0 269.341 2.497 40 0 CEABRM CN(c1ccc(C(=O)[O-])cn1)C1CCSCC1 ZINC000403683969 344876154 /nfs/dbraw/zinc/87/61/54/344876154.db2.gz GIQGTQUSFKTYHN-UHFFFAOYSA-N -1 0 252.339 2.112 40 0 CEABRM O=C([O-])Cc1cn(CCF)nc1-c1ccsc1 ZINC000409440051 344889711 /nfs/dbraw/zinc/88/97/11/344889711.db2.gz RJVAZBDSHALXAW-UHFFFAOYSA-N -1 0 254.286 2.208 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1cccc(Br)c1 ZINC000085393319 179048405 /nfs/dbraw/zinc/04/84/05/179048405.db2.gz FSZXXWCBODRVKI-SCZZXKLOSA-N -1 0 285.093 2.138 40 0 CEABRM CCCOc1cccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c1 ZINC000085394600 179049382 /nfs/dbraw/zinc/04/93/82/179049382.db2.gz KZEHKEFRHLVQHV-WCQYABFASA-N -1 0 264.277 2.164 40 0 CEABRM O=C([O-])C1CN(c2nc3c(cccc3Cl)s2)C1 ZINC000061957967 362700979 /nfs/dbraw/zinc/70/09/79/362700979.db2.gz UTPBSZXYIFIAHC-UHFFFAOYSA-N -1 0 268.725 2.471 40 0 CEABRM Cc1cccc(-n2ccc(Cl)c(C(=O)[O-])c2=O)c1 ZINC000575423637 366284029 /nfs/dbraw/zinc/28/40/29/366284029.db2.gz PTPBOOBHHIWUPA-UHFFFAOYSA-N -1 0 263.680 2.498 40 0 CEABRM O=C(Nc1ccccc1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000002518976 361237817 /nfs/dbraw/zinc/23/78/17/361237817.db2.gz HTBIBDMFMGFSJT-CYBMUJFWSA-N -1 0 294.318 2.111 40 0 CEABRM CCCn1cc2c(n1)nc(SCC(=O)[O-])cc2C ZINC000012398886 361383121 /nfs/dbraw/zinc/38/31/21/361383121.db2.gz WGIHQOLXIPCVMI-UHFFFAOYSA-N -1 0 265.338 2.326 40 0 CEABRM CC[C@@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034434 361417088 /nfs/dbraw/zinc/41/70/88/361417088.db2.gz QWDFUOIGFVDJRF-MRVPVSSYSA-N -1 0 285.727 2.332 40 0 CEABRM O=C([O-])CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O ZINC000016904947 361498634 /nfs/dbraw/zinc/49/86/34/361498634.db2.gz VHGGHBSQNNETEK-UITAMQMPSA-N -1 0 297.719 2.461 40 0 CEABRM COc1cc(C(C)=C2SC([O-])=NC2=O)ccc1O ZINC000017423064 361509787 /nfs/dbraw/zinc/50/97/87/361509787.db2.gz QTSWNCGEBDGOSF-UXBLZVDNSA-N -1 0 265.290 2.115 40 0 CEABRM O=C([O-])[C@@H]1CCn2ccc(C(=O)c3ccccc3)c21 ZINC000067665139 304129630 /nfs/dbraw/zinc/12/96/30/304129630.db2.gz RIQZRCMKWYHMOR-GFCCVEGCSA-N -1 0 255.273 2.291 40 0 in-vitro CEABRM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccco2)N1 ZINC000003153901 304151597 /nfs/dbraw/zinc/15/15/97/304151597.db2.gz ZAOCCYZFRAVVGT-WFASDCNBSA-N -1 0 282.299 2.449 40 0 CEABRM Cc1cccc(C(=O)[O-])c1OCC(=O)NCc1ccccc1 ZINC000217720185 370200213 /nfs/dbraw/zinc/20/02/13/370200213.db2.gz JIGWYBKYAGWCKB-UHFFFAOYSA-N -1 0 299.326 2.388 40 0 CEABRM COc1ccc(Nc2cc(SCC(=O)[O-])ncn2)cc1 ZINC000226100326 370329531 /nfs/dbraw/zinc/32/95/31/370329531.db2.gz PFSPIAKHJJSBAO-UHFFFAOYSA-N -1 0 291.332 2.406 40 0 CEABRM CC(C)S(=O)(=O)c1ccc(OCC2CC2)c(C(=O)[O-])c1 ZINC000261508503 190040133 /nfs/dbraw/zinc/04/01/33/190040133.db2.gz TZEAIUFFWPWUMV-UHFFFAOYSA-N -1 0 298.360 2.356 40 0 CEABRM CC(C)Oc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000035005 169511721 /nfs/dbraw/zinc/51/17/21/169511721.db2.gz ZJDOVGPDRKBVER-PWSUYJOCSA-N -1 0 267.350 2.262 40 0 CEABRM O=C([O-])c1cc2c(cc1O)-c1ccccc1[S@@]2=O ZINC000255190357 304228377 /nfs/dbraw/zinc/22/83/77/304228377.db2.gz WSSYSLHLQPIZEV-GOSISDBHSA-N -1 0 260.270 2.238 40 0 CEABRM O=C([O-])c1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC000052125302 304254985 /nfs/dbraw/zinc/25/49/85/304254985.db2.gz BLCHIFQAGVAART-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM O=C([O-])c1cncn1-c1ccc(Br)cc1 ZINC000096919295 304279998 /nfs/dbraw/zinc/27/99/98/304279998.db2.gz FNNYTZBNNMMZEU-UHFFFAOYSA-N -1 0 267.082 2.333 40 0 CEABRM O=C([O-])c1nc2ccccc2n1CC1CCOCC1 ZINC000255190575 304283581 /nfs/dbraw/zinc/28/35/81/304283581.db2.gz YCOWDRCLGTVLLP-UHFFFAOYSA-N -1 0 260.293 2.161 40 0 CEABRM O=C([O-])C[C@@H](CC(=O)N1CCSCC1)c1ccccc1 ZINC000217799125 394456323 /nfs/dbraw/zinc/45/63/23/394456323.db2.gz IPHNWWCDDWVALG-CYBMUJFWSA-N -1 0 293.388 2.210 40 0 CEABRM CC(C)c1noc(Cc2c(C(=O)[O-])n[nH]c2C(C)C)n1 ZINC000072220420 394594618 /nfs/dbraw/zinc/59/46/18/394594618.db2.gz HRDWTBAUYUJTDU-UHFFFAOYSA-N -1 0 278.312 2.329 40 0 CEABRM O=C([O-])C1(c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 ZINC000072220590 394594701 /nfs/dbraw/zinc/59/47/01/394594701.db2.gz BAVCIHFSHWNPPM-UHFFFAOYSA-N -1 0 287.271 2.229 40 0 CEABRM CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccco1 ZINC000071979843 394591576 /nfs/dbraw/zinc/59/15/76/394591576.db2.gz ZANYQQPNXADLGE-VTWZXRTESA-N -1 0 293.319 2.112 40 0 CEABRM C[C@H](c1ccc(Br)cc1)n1cc(C(=O)[O-])nn1 ZINC000096510224 394693065 /nfs/dbraw/zinc/69/30/65/394693065.db2.gz FIBTVTCDIAATSK-SSDOTTSWSA-N -1 0 296.124 2.348 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N(CC2CC2)[C@H]1c1ccccc1 ZINC000096515680 394694087 /nfs/dbraw/zinc/69/40/87/394694087.db2.gz NSBRIVDIZLWVHA-ZFWWWQNUSA-N -1 0 273.332 2.461 40 0 CEABRM Cc1nc2c(c(=O)n1Cc1cccc(C(=O)[O-])c1)CCCC2 ZINC000096531064 394697883 /nfs/dbraw/zinc/69/78/83/394697883.db2.gz KSXUAFHIBWUXAJ-UHFFFAOYSA-N -1 0 298.342 2.177 40 0 CEABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1cccs1 ZINC000005094729 170065842 /nfs/dbraw/zinc/06/58/42/170065842.db2.gz RCASCYGHFPRADK-QCZKYFFMSA-N -1 0 279.361 2.111 40 0 CEABRM O=Cc1ccc(OCCCSCC(=O)[O-])cc1 ZINC000008731441 170351335 /nfs/dbraw/zinc/35/13/35/170351335.db2.gz OQSOIYLDZFQMQQ-UHFFFAOYSA-N -1 0 254.307 2.086 40 0 CEABRM CCN(CC)c1ccc2c([O-])c(C=O)c(=O)oc2c1 ZINC000016806778 170712749 /nfs/dbraw/zinc/71/27/49/170712749.db2.gz VKWBIHZATMSOCR-UHFFFAOYSA-N -1 0 261.277 2.157 40 0 CEABRM CC(C)[C@H](NC(=O)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000019402058 170785266 /nfs/dbraw/zinc/78/52/66/170785266.db2.gz VASIMLBFYYWHDR-JTQLQIEISA-N -1 0 287.262 2.127 40 0 CEABRM Cc1ccc(Cc2nnc(SCC(=O)[O-])o2)cc1C ZINC000020196967 171061204 /nfs/dbraw/zinc/06/12/04/171061204.db2.gz PHVKVZHKMJCLMS-UHFFFAOYSA-N -1 0 278.333 2.454 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000034887460 171890690 /nfs/dbraw/zinc/89/06/90/171890690.db2.gz WXBYICHGFLMFPY-VQSQSKOLSA-N -1 0 297.314 2.024 40 0 CEABRM COc1ccc(Cc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000043557969 175065113 /nfs/dbraw/zinc/06/51/13/175065113.db2.gz VHENKZGMEADLCP-UHFFFAOYSA-N -1 0 258.277 2.083 40 0 CEABRM Cc1cccc(NCCc2noc(CCC(=O)[O-])n2)c1 ZINC000078401000 177337551 /nfs/dbraw/zinc/33/75/51/177337551.db2.gz QNVZISDTRIHBKJ-UHFFFAOYSA-N -1 0 275.308 2.050 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(c2cc(=O)[n-]o2)CC1 ZINC000022016314 278382945 /nfs/dbraw/zinc/38/29/45/278382945.db2.gz HBAKXSYOYQVZSN-UHFFFAOYSA-N -1 0 268.313 2.495 40 0 CEABRM CC(C)(C)c1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1 ZINC000217389290 278559200 /nfs/dbraw/zinc/55/92/00/278559200.db2.gz JLTWSZNXQYQYQI-UHFFFAOYSA-N -1 0 286.331 2.362 40 0 CEABRM Cc1nn(C(C)C)cc1/C=C/c1cc(C(=O)[O-])ncn1 ZINC000540712435 298267717 /nfs/dbraw/zinc/26/77/17/298267717.db2.gz HBQBKZACTPRWQS-SNAWJCMRSA-N -1 0 272.308 2.431 40 0 CEABRM O=S(=O)([O-])n1nc2ccccc2c1-c1ccccc1 ZINC000001730236 304768781 /nfs/dbraw/zinc/76/87/81/304768781.db2.gz ONOFOBXEQTUMKD-UHFFFAOYSA-N -1 0 274.301 2.354 40 0 CEABRM Cn1c(=O)c(Br)c([O-])c2ccccc21 ZINC000100165143 302892189 /nfs/dbraw/zinc/89/21/89/302892189.db2.gz WQOKDLITONTKEU-UHFFFAOYSA-N -1 0 254.083 2.007 40 0 CEABRM COc1ccc(CCCn2cccc(C(=O)[O-])c2=O)cc1 ZINC000225791908 333182361 /nfs/dbraw/zinc/18/23/61/333182361.db2.gz JVUCJZVZBOMBCI-UHFFFAOYSA-N -1 0 287.315 2.188 40 0 CEABRM CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)CC)N1 ZINC000408738447 567860960 /nfs/dbraw/zinc/86/09/60/567860960.db2.gz KUMXKULNUBSMNB-VIFPVBQESA-N -1 0 252.236 2.036 40 0 CEABRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000035769710 361821539 /nfs/dbraw/zinc/82/15/39/361821539.db2.gz NVZVMVSTQZDUJQ-RYUDHWBXSA-N -1 0 263.293 2.166 40 0 CEABRM Cc1cccc(C)c1N1C(=O)S[C@H](CC(=O)[O-])C1=O ZINC000036635198 361849431 /nfs/dbraw/zinc/84/94/31/361849431.db2.gz WUQTWVDTQURYTP-SECBINFHSA-N -1 0 279.317 2.347 40 0 CEABRM CCOC(=O)CCCNc1ccccc1C(=O)[O-] ZINC000036644122 361849438 /nfs/dbraw/zinc/84/94/38/361849438.db2.gz HQSQYHXJYZQJSU-UHFFFAOYSA-N -1 0 251.282 2.140 40 0 CEABRM CCOc1ccc2c(c1)c(=O)c(C(=O)[O-])cn2CC ZINC000036720812 361852278 /nfs/dbraw/zinc/85/22/78/361852278.db2.gz DYFRXPUYXWIJFF-UHFFFAOYSA-N -1 0 261.277 2.118 40 0 CEABRM O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 ZINC000045954067 362171715 /nfs/dbraw/zinc/17/17/15/362171715.db2.gz VHZUHZMTYRSOQB-LBPRGKRZSA-N -1 0 288.347 2.114 40 0 CEABRM O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000027836471 343394465 /nfs/dbraw/zinc/39/44/65/343394465.db2.gz DMSMNKFNDILUSE-XYOKQWHBSA-N -1 0 298.258 2.406 40 0 CEABRM Cc1cccc(-n2[n-]c(=O)c(Cl)c(Cl)c2=O)c1 ZINC000144661334 344408187 /nfs/dbraw/zinc/40/81/87/344408187.db2.gz SPBOPJDMCMPYAE-UHFFFAOYSA-N -1 0 271.103 2.141 40 0 CEABRM Cc1ccc(-n2nc(C(=O)[O-])c(N3CCCCC3)n2)cc1 ZINC000256048511 344646885 /nfs/dbraw/zinc/64/68/85/344646885.db2.gz UCGVIOLKJWEOHO-UHFFFAOYSA-N -1 0 286.335 2.264 40 0 CEABRM Cc1ccc(C)c(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c1 ZINC000256046374 344646946 /nfs/dbraw/zinc/64/69/46/344646946.db2.gz FNEXDYMZSVUWSL-UHFFFAOYSA-N -1 0 286.335 2.183 40 0 CEABRM CCCNc1nn(-c2ccc(CC)cc2)nc1C(=O)[O-] ZINC000256048321 344646990 /nfs/dbraw/zinc/64/69/90/344646990.db2.gz SEEXFLNQDPFBTQ-UHFFFAOYSA-N -1 0 274.324 2.350 40 0 CEABRM O=C([O-])C1(Oc2ccc(Br)cc2)CC1 ZINC000085392775 179048622 /nfs/dbraw/zinc/04/86/22/179048622.db2.gz GTSZPWVQZJYPEB-UHFFFAOYSA-N -1 0 257.083 2.445 40 0 CEABRM CCOC(=O)C=C([O-])c1ccc(OC)c(Cl)c1 ZINC000067172031 362902920 /nfs/dbraw/zinc/90/29/20/362902920.db2.gz AFDHPHZKKJYLPL-UHFFFAOYSA-N -1 0 256.685 2.485 40 0 CEABRM CC(C)(C)OC(=O)NCC12CC(C(=O)[O-])(C1)CC2 ZINC000306145805 539753865 /nfs/dbraw/zinc/75/38/65/539753865.db2.gz QVHQRLLMORYKMS-UHFFFAOYSA-N -1 0 255.314 2.156 40 0 CEABRM O=C([O-])C1CN(Cc2ccc(F)c(Br)c2)C1 ZINC000070569540 363095231 /nfs/dbraw/zinc/09/52/31/363095231.db2.gz KYWKCOPDMUQRPA-UHFFFAOYSA-N -1 0 288.116 2.105 40 0 CEABRM COc1cc(Br)c(CC(=O)[O-])cc1F ZINC000169795989 188665088 /nfs/dbraw/zinc/66/50/88/188665088.db2.gz AFSFQEXQYBXCKX-UHFFFAOYSA-N -1 0 263.062 2.224 40 0 CEABRM O=C([O-])C1CN(c2nc3c(cc(F)cc3F)s2)C1 ZINC000061957928 304042922 /nfs/dbraw/zinc/04/29/22/304042922.db2.gz LQBIHQZVJAWRMY-UHFFFAOYSA-N -1 0 270.260 2.095 40 0 CEABRM O=C([O-])CN1CNc2ccc(Cl)c(Cl)c2C1 ZINC000071255495 304067846 /nfs/dbraw/zinc/06/78/46/304067846.db2.gz VFRADJZONHFXOM-UHFFFAOYSA-N -1 0 261.108 2.263 40 0 CEABRM Cc1c(NC(=S)NC(=O)C(C)C)cccc1C(=O)[O-] ZINC000000569944 361186293 /nfs/dbraw/zinc/18/62/93/361186293.db2.gz CBMQSXMQTFNGDL-UHFFFAOYSA-N -1 0 280.349 2.162 40 0 CEABRM O=C([O-])[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000002042239 361225815 /nfs/dbraw/zinc/22/58/15/361225815.db2.gz RRIYMQRUQFUKPL-ZDUSSCGKSA-N -1 0 255.273 2.494 40 0 CEABRM C[C@H](Sc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC000008497190 361342710 /nfs/dbraw/zinc/34/27/10/361342710.db2.gz LLKLFLAXPSJKLM-YFKPBYRVSA-N -1 0 284.724 2.142 40 0 CEABRM COc1ccc(-c2noc(C)c2C(=O)[O-])cc1OC ZINC000011627984 361361287 /nfs/dbraw/zinc/36/12/87/361361287.db2.gz SWNHHMDHMKWXMX-UHFFFAOYSA-N -1 0 263.249 2.365 40 0 CEABRM CCNC(=S)Nc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000216929888 189707422 /nfs/dbraw/zinc/70/74/22/189707422.db2.gz UIBUSJMMAXTISA-FNORWQNLSA-N -1 0 280.349 2.099 40 0 CEABRM O=C([O-])[C@@H]1C[C@H]1C(=O)c1ccc(Br)cc1 ZINC000116992936 365086266 /nfs/dbraw/zinc/08/62/66/365086266.db2.gz FFFCOGICKMRJSG-RKDXNWHRSA-N -1 0 269.094 2.353 40 0 CEABRM CO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)[O-] ZINC000217809175 370201994 /nfs/dbraw/zinc/20/19/94/370201994.db2.gz IPDYDSCYHHDDKL-LLVKDONJSA-N -1 0 274.194 2.452 40 0 CEABRM CC(C)c1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000225009398 370284552 /nfs/dbraw/zinc/28/45/52/370284552.db2.gz FAZXVSJACBDYBV-UHFFFAOYSA-N -1 0 272.304 2.182 40 0 CEABRM CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000225649620 370310025 /nfs/dbraw/zinc/31/00/25/370310025.db2.gz JHGWAVLEENZXKD-HNNXBMFYSA-N -1 0 295.335 2.294 40 0 CEABRM COCCc1ccc(C(=O)[O-])n1Cc1ccccc1 ZINC000226030826 370327140 /nfs/dbraw/zinc/32/71/40/370327140.db2.gz OQCSKFUXTFISRR-UHFFFAOYSA-N -1 0 259.305 2.424 40 0 CEABRM O=Cc1ccc(Sc2n[nH]c(-c3ccncc3)n2)o1 ZINC000408558647 375512862 /nfs/dbraw/zinc/51/28/62/375512862.db2.gz VBTGTGXRPTZVTG-UHFFFAOYSA-N -1 0 272.289 2.423 40 0 CEABRM CC(C)(C)OC(=O)N1CCC=C(CCC(=O)[O-])C1 ZINC000257333828 190035410 /nfs/dbraw/zinc/03/54/10/190035410.db2.gz YDFUFXQWVOYYMA-UHFFFAOYSA-N -1 0 255.314 2.418 40 0 CEABRM CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CCC(=O)[O-] ZINC000299803600 379144206 /nfs/dbraw/zinc/14/42/06/379144206.db2.gz FBXFSASBSCSCPW-GHMZBOCLSA-N -1 0 289.372 2.296 40 0 CEABRM O=C([O-])c1ccccc1-c1nc(-c2ccncc2)no1 ZINC000020593812 304266899 /nfs/dbraw/zinc/26/68/99/304266899.db2.gz TXUXESKVQGBNSM-UHFFFAOYSA-N -1 0 267.244 2.497 40 0 CEABRM CCc1c(C(=O)[O-])nnn1-c1ccc(Cl)cc1F ZINC000037312344 256725822 /nfs/dbraw/zinc/72/58/22/256725822.db2.gz DTSRMSYKNAHQNG-UHFFFAOYSA-N -1 0 269.663 2.320 40 0 CEABRM CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000546232 169665629 /nfs/dbraw/zinc/66/56/29/169665629.db2.gz OHTKVDOCUSBJJA-NSHDSACASA-N -1 0 250.298 2.307 40 0 CEABRM COC(=O)c1ccc(-c2cccc(F)c2)nc1C(=O)[O-] ZINC000095097303 184943842 /nfs/dbraw/zinc/94/38/42/184943842.db2.gz OFFGCUKNFSIPPW-UHFFFAOYSA-N -1 0 275.235 2.373 40 0 CEABRM CSc1nc(Cl)cc(N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000072203504 134982569 /nfs/dbraw/zinc/98/25/69/134982569.db2.gz OQRNBORNFSBSPY-SSDOTTSWSA-N -1 0 287.772 2.295 40 0 CEABRM O=C([O-])CSc1n[nH]c(COc2ccccc2Cl)n1 ZINC000026473456 394479468 /nfs/dbraw/zinc/47/94/68/394479468.db2.gz WEDSLCFMZFVEDP-UHFFFAOYSA-N -1 0 299.739 2.214 40 0 CEABRM C[C@]1(C(=O)[O-])CC(c2ccc(Br)cc2)=NO1 ZINC000071981062 394591077 /nfs/dbraw/zinc/59/10/77/394591077.db2.gz LDURJPHYKJBKBX-LLVKDONJSA-N -1 0 284.109 2.417 40 0 CEABRM C[C@H](c1ccccc1Br)n1cc(C(=O)[O-])nn1 ZINC000096510228 394693379 /nfs/dbraw/zinc/69/33/79/394693379.db2.gz KTGMKIFPUYHHSQ-SSDOTTSWSA-N -1 0 296.124 2.348 40 0 CEABRM Cc1c([C@@H]2N[C@H](C(=O)[O-])CS2)c2ccccc2n1C ZINC000408809395 400566540 /nfs/dbraw/zinc/56/65/40/400566540.db2.gz GTLHGQIJBIXVAU-GXFFZTMASA-N -1 0 276.361 2.275 40 0 CEABRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000263109366 154019267 /nfs/dbraw/zinc/01/92/67/154019267.db2.gz BPYBUIUOSFAKBZ-SECBINFHSA-N -1 0 275.304 2.255 40 0 CEABRM Nc1ccccc1C[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000001715928 169749121 /nfs/dbraw/zinc/74/91/21/169749121.db2.gz UUZXEJWYMCTSBT-GFCCVEGCSA-N -1 0 285.299 2.408 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@H](O)c1ccccc1-2 ZINC000006576000 170214884 /nfs/dbraw/zinc/21/48/84/170214884.db2.gz FTKIFEVGBKEJPV-ZPUOCTKUSA-N -1 0 295.294 2.328 40 0 CEABRM CC(C)OC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000008732318 170351516 /nfs/dbraw/zinc/35/15/16/170351516.db2.gz HEEVYUAUWMMDAN-UHFFFAOYSA-N -1 0 279.292 2.055 40 0 CEABRM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1 ZINC000013483754 170555058 /nfs/dbraw/zinc/55/50/58/170555058.db2.gz VTXFUUGMJNLVGG-UHFFFAOYSA-N -1 0 286.262 2.215 40 0 CEABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000019441157 170802534 /nfs/dbraw/zinc/80/25/34/170802534.db2.gz IVXVXYNZINFQTF-GQCTYLIASA-N -1 0 273.244 2.335 40 0 CEABRM CCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1C ZINC000020151267 171037892 /nfs/dbraw/zinc/03/78/92/171037892.db2.gz KUSHBWDOGHNRRG-UHFFFAOYSA-N -1 0 280.349 2.306 40 0 CEABRM Cc1ccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000036635185 172643100 /nfs/dbraw/zinc/64/31/00/172643100.db2.gz LDWJVKPGFGVWFO-VIFPVBQESA-N -1 0 265.290 2.038 40 0 CEABRM O=C([O-])[C@H]1CC(=O)N(c2cc(-c3ccccc3)ccc2O)C1 ZINC000045953746 175389105 /nfs/dbraw/zinc/38/91/05/175389105.db2.gz SXEZFKGCVGRGIX-ZDUSSCGKSA-N -1 0 297.310 2.497 40 0 CEABRM CC[C@H](C)N(C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2)[C@@H](C)CC ZINC000002772242 287564326 /nfs/dbraw/zinc/56/43/26/287564326.db2.gz MFIHHRMTOMCTDO-GAURVVSWSA-N -1 0 297.395 2.290 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2C(=O)[O-])C1 ZINC000306145539 278409553 /nfs/dbraw/zinc/40/95/53/278409553.db2.gz IDCSHSTTWUYEMK-ZANVPECISA-N -1 0 255.314 2.108 40 0 CEABRM CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CCC(=O)[O-])C2 ZINC000005903122 281450515 /nfs/dbraw/zinc/45/05/15/281450515.db2.gz LORGYLUHSAMZCG-BFVZDQMLSA-N -1 0 253.342 2.182 40 0 CEABRM COc1cc2[nH]c(=O)cc([O-])c2cc1Br ZINC000091692489 295028686 /nfs/dbraw/zinc/02/86/86/295028686.db2.gz BGZWXXZYITYBBF-UHFFFAOYSA-N -1 0 270.082 2.005 40 0 CEABRM CS(=O)(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000016947623 295555315 /nfs/dbraw/zinc/55/53/15/295555315.db2.gz OEXWRSFMFJAAHT-UHFFFAOYSA-N -1 0 276.313 2.455 40 0 CEABRM C[C@H](CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@H]1C)C(=O)[O-] ZINC000248274599 298404919 /nfs/dbraw/zinc/40/49/19/298404919.db2.gz RMMAAUYRERZOAK-MIBAYGRRSA-N -1 0 272.385 2.426 40 0 biogenic,in-vitro CEABRM Cc1cc(C)nc(COc2ccc(C(=O)[O-])cc2)n1 ZINC000226105771 301260660 /nfs/dbraw/zinc/26/06/60/301260660.db2.gz DEDQGWFIFMTXPG-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]1[C@H]3C(=O)[O-])O2 ZINC000253589458 334439846 /nfs/dbraw/zinc/43/98/46/334439846.db2.gz FRVUCLJWARTEMG-NXYFWLRCSA-N -1 0 272.300 2.440 40 0 CEABRM COc1ccc(Cl)cc1NC(=O)N/C=C/C(=O)[O-] ZINC000222698093 533873772 /nfs/dbraw/zinc/87/37/72/533873772.db2.gz RBMPDDWFBRAQBL-SNAWJCMRSA-N -1 0 270.672 2.068 40 0 CEABRM CCOC(=O)c1cc(C(F)(F)F)[n-]c1C(=O)OCC ZINC000228962986 521431353 /nfs/dbraw/zinc/43/13/53/521431353.db2.gz NQEGWPHGPAENNF-UHFFFAOYSA-N -1 0 279.214 2.387 40 0 CEABRM CC(=C([O-])c1ccc(Br)cc1)S(C)(=O)=O ZINC000054929903 526190853 /nfs/dbraw/zinc/19/08/53/526190853.db2.gz RUOJRCMWRIIAKN-SSDOTTSWSA-N -1 0 291.166 2.065 40 0 CEABRM Cc1ccc(-n2nc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000256053456 570393437 /nfs/dbraw/zinc/39/34/37/570393437.db2.gz RNLHITNBMWMRKA-UHFFFAOYSA-N -1 0 268.219 2.480 40 0 CEABRM CCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)CC)N1 ZINC000408738041 567861179 /nfs/dbraw/zinc/86/11/79/567861179.db2.gz IFUXUZRBPXHXAE-SNVBAGLBSA-N -1 0 266.263 2.426 40 0 CEABRM C[C@@H](CC(F)(F)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000095630471 185016830 /nfs/dbraw/zinc/01/68/30/185016830.db2.gz YTNUZTROWFQUEN-ZETCQYMHSA-N -1 0 267.272 2.257 40 0 CEABRM CCCCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000033443453 361779875 /nfs/dbraw/zinc/77/98/75/361779875.db2.gz MOMHXFQHIBIWLD-PMDBQALLSA-N -1 0 291.347 2.468 40 0 CEABRM O=C([O-])c1ccc2nc(-c3ccccc3F)nn2c1 ZINC000082749746 178270710 /nfs/dbraw/zinc/27/07/10/178270710.db2.gz IUOQCNAEDDOSEI-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM O=C([O-])C1CCN(c2cccc(Br)n2)CC1 ZINC000040434979 361993369 /nfs/dbraw/zinc/99/33/69/361993369.db2.gz CHVSBZDXXCPNKD-UHFFFAOYSA-N -1 0 285.141 2.145 40 0 CEABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1 ZINC000008477165 343362808 /nfs/dbraw/zinc/36/28/08/343362808.db2.gz QUGSKEOQOLSLKK-JLHYYAGUSA-N -1 0 284.315 2.091 40 0 CEABRM O=C([O-])c1nn(-c2ccccc2)nc1N1CCCCCC1 ZINC000256049269 344647314 /nfs/dbraw/zinc/64/73/14/344647314.db2.gz ZCVWEEUOPFHHIX-UHFFFAOYSA-N -1 0 286.335 2.346 40 0 CEABRM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nnc1Cl ZINC000409431016 344888774 /nfs/dbraw/zinc/88/87/74/344888774.db2.gz YOGHRXXJQBNGQU-UHFFFAOYSA-N -1 0 278.651 2.224 40 0 CEABRM O=C([O-])c1cnn(-c2ccc(F)cc2)c1Br ZINC000085392599 179048544 /nfs/dbraw/zinc/04/85/44/179048544.db2.gz BZJMBGWFJPLXKI-UHFFFAOYSA-N -1 0 285.072 2.472 40 0 CEABRM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccccn1 ZINC000224683713 540168626 /nfs/dbraw/zinc/16/86/26/540168626.db2.gz JQTFSPKCNALZLO-ZDUSSCGKSA-N -1 0 286.287 2.134 40 0 CEABRM O=C([O-])[C@@H]1[C@H]2C=C[C@H]([C@@H]3C[C@@H]32)[C@H]1C(=O)Nc1ccccc1 ZINC000000229916 361149554 /nfs/dbraw/zinc/14/95/54/361149554.db2.gz GOPZCQQHIKFWSH-YXJLRHLOSA-N -1 0 283.327 2.394 40 0 CEABRM Nc1nc(SCc2ccccc2)cc(C(=O)[O-])n1 ZINC000001681567 361217546 /nfs/dbraw/zinc/21/75/46/361217546.db2.gz YEXUFLUBYXQSRP-UHFFFAOYSA-N -1 0 261.306 2.049 40 0 CEABRM O=C([O-])CCCCC(=O)Nc1ccc(Cl)cn1 ZINC000003087787 361262203 /nfs/dbraw/zinc/26/22/03/361262203.db2.gz HYLRZDKSRASBLM-UHFFFAOYSA-N -1 0 256.689 2.319 40 0 CEABRM O=C([O-])CCc1cc2cc(Br)ccc2[nH]c1=O ZINC000011982053 361370743 /nfs/dbraw/zinc/37/07/43/361370743.db2.gz RFWCHFJVXOIKOC-UHFFFAOYSA-N -1 0 296.120 2.308 40 0 CEABRM CC(C)=C1CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@@H]13 ZINC000013373847 361426064 /nfs/dbraw/zinc/42/60/64/361426064.db2.gz IOYVXXQKVQKQIG-CTHBEMJXSA-N -1 0 266.337 2.118 40 0 biogenic,in-vitro CEABRM Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-] ZINC000013465371 361427956 /nfs/dbraw/zinc/42/79/56/361427956.db2.gz NACSDXKETBDIMH-UNJBNNCHSA-N -1 0 271.316 2.456 40 0 CEABRM Cc1ccc(C(=O)[O-])c(OCC(=O)NCc2ccccc2)c1 ZINC000013084442 361417737 /nfs/dbraw/zinc/41/77/37/361417737.db2.gz ZPHYNUIKFACNJO-UHFFFAOYSA-N -1 0 299.326 2.388 40 0 CEABRM CC[C@H]1c2c(cc(=O)[nH]c2[O-])C(=O)N1Cc1ccccc1 ZINC000016958178 361499708 /nfs/dbraw/zinc/49/97/08/361499708.db2.gz ZJVKLPBDIKWOHE-LBPRGKRZSA-N -1 0 284.315 2.188 40 0 CEABRM O=C([O-])CCc1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000089262138 363951697 /nfs/dbraw/zinc/95/16/97/363951697.db2.gz HJRYYGJILRKQQE-UHFFFAOYSA-N -1 0 284.218 2.355 40 0 CEABRM COc1cccc([C@@H](OCC(=O)[O-])C(F)(F)F)c1 ZINC000095096378 364340255 /nfs/dbraw/zinc/34/02/55/364340255.db2.gz VMQMRGSDPIOEOX-SNVBAGLBSA-N -1 0 264.199 2.400 40 0 CEABRM Cn1c(SC(F)(F)C(=O)[O-])nc2ccccc21 ZINC000217576547 189710982 /nfs/dbraw/zinc/71/09/82/189710982.db2.gz MAVUEFFBOMWXAC-UHFFFAOYSA-N -1 0 258.249 2.343 40 0 CEABRM CCNC(=S)Nc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000216930239 370191367 /nfs/dbraw/zinc/19/13/67/370191367.db2.gz YPFCWOQIRVVHQZ-UHFFFAOYSA-N -1 0 288.756 2.353 40 0 CEABRM Cc1cc(NC(=S)NC(C)C)cc(C(=O)[O-])c1O ZINC000216928293 370191991 /nfs/dbraw/zinc/19/19/91/370191991.db2.gz IJMSEYRUNCCQEZ-UHFFFAOYSA-N -1 0 268.338 2.094 40 0 CEABRM O=C([O-])COc1nn(-c2ccccc2)cc1Br ZINC000218264152 370207371 /nfs/dbraw/zinc/20/73/71/370207371.db2.gz VNNKKHOUSMKSGH-UHFFFAOYSA-N -1 0 297.108 2.098 40 0 CEABRM O=C([O-])[C@H]1CCCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516136 304184061 /nfs/dbraw/zinc/18/40/61/304184061.db2.gz JCRMVZNOOMJSLN-LBPRGKRZSA-N -1 0 275.352 2.047 40 0 CEABRM O=C([O-])c1c(NCc2ccc(F)s2)cnn1CCF ZINC000256052033 190003781 /nfs/dbraw/zinc/00/37/81/190003781.db2.gz LQQIOVBXZUMLGJ-UHFFFAOYSA-N -1 0 287.291 2.364 40 0 CEABRM O=C([O-])c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000217383892 304275087 /nfs/dbraw/zinc/27/50/87/304275087.db2.gz MPSJHXSTZDJKNU-UHFFFAOYSA-N -1 0 285.086 2.442 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000020153998 394471400 /nfs/dbraw/zinc/47/14/00/394471400.db2.gz MZLRFYJQKMMWIS-LLVKDONJSA-N -1 0 290.710 2.305 40 0 CEABRM CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C\C(=O)[O-])C2 ZINC000038591871 394498744 /nfs/dbraw/zinc/49/87/44/394498744.db2.gz BITUSFVRXSZURD-WMFCPRSFSA-N -1 0 252.310 2.385 40 0 CEABRM Cc1noc(Cc2c(C(=O)[O-])noc2-c2ccccc2)n1 ZINC000072220498 394594475 /nfs/dbraw/zinc/59/44/75/394594475.db2.gz WQKXELSSEAKXRI-UHFFFAOYSA-N -1 0 285.259 2.322 40 0 CEABRM CCOC(=O)n1[n-]c(=O)c2c1cccc2Br ZINC000089196416 394647742 /nfs/dbraw/zinc/64/77/42/394647742.db2.gz PHLAQYMSHLXSGY-UHFFFAOYSA-N -1 0 285.097 2.097 40 0 CEABRM O=C([O-])c1ccc2c(c1)N[C@@H]1CCCCCN1C2=O ZINC000096516201 394694153 /nfs/dbraw/zinc/69/41/53/394694153.db2.gz LOXXQYCKALCAJS-LBPRGKRZSA-N -1 0 260.293 2.153 40 0 CEABRM O=C([O-])COc1cccc(COCCC2CC2)c1 ZINC000096525801 394697043 /nfs/dbraw/zinc/69/70/43/394697043.db2.gz NQVYCUKBZKWVJL-UHFFFAOYSA-N -1 0 250.294 2.467 40 0 CEABRM Cc1nn(C2CCCC2)cc1C(=O)C1=C([O-])CCCC1=O ZINC000103619395 394716205 /nfs/dbraw/zinc/71/62/05/394716205.db2.gz HVRUAZBRKQZMSB-UHFFFAOYSA-N -1 0 288.347 2.428 40 0 CEABRM C[C@H](CN(C)c1cncc(-c2ccccc2)n1)C(=O)[O-] ZINC000263550318 154124930 /nfs/dbraw/zinc/12/49/30/154124930.db2.gz KGKLDYMIGTYUPW-LLVKDONJSA-N -1 0 271.320 2.301 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000004222941 169945651 /nfs/dbraw/zinc/94/56/51/169945651.db2.gz SJINPULFJCWKFE-NWDGAFQWSA-N -1 0 292.335 2.117 40 0 CEABRM Cc1ccc(-c2nc(S[C@H](C)C(=O)[O-])n[nH]2)cc1 ZINC000005504549 170105468 /nfs/dbraw/zinc/10/54/68/170105468.db2.gz RBLAZZQRYWEEGJ-MRVPVSSYSA-N -1 0 263.322 2.345 40 0 CEABRM CNC(=O)Oc1cccc([N-]C(=S)SC)c1 ZINC000005700417 170130307 /nfs/dbraw/zinc/13/03/07/170130307.db2.gz CURMAQDGEJRZQA-UHFFFAOYSA-N -1 0 256.352 2.465 40 0 CEABRM CCOc1cc(C(=O)[O-])cc(Br)c1O ZINC000007604051 170293319 /nfs/dbraw/zinc/29/33/19/170293319.db2.gz HZKDIWKQYHYLCF-UHFFFAOYSA-N -1 0 261.071 2.252 40 0 CEABRM Cc1cccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-])c1 ZINC000008700623 170346688 /nfs/dbraw/zinc/34/66/88/170346688.db2.gz PLGCEOXNWANLCH-RYUDHWBXSA-N -1 0 295.335 2.006 40 0 CEABRM CCC[C@H](Nc1cc(OC)ccc1OC)C(=O)[O-] ZINC000008702822 170347646 /nfs/dbraw/zinc/34/76/46/170347646.db2.gz YHHYTXZHXWAMRG-JTQLQIEISA-N -1 0 253.298 2.369 40 0 CEABRM COc1ccc(OC)c(NCC(C)(C)C(=O)[O-])c1 ZINC000008702847 170347649 /nfs/dbraw/zinc/34/76/49/170347649.db2.gz PVNMTKKMNSDUSC-UHFFFAOYSA-N -1 0 253.298 2.227 40 0 CEABRM C[C@@H](Nc1ccc(Br)cc1F)C(=O)[O-] ZINC000008730589 170350798 /nfs/dbraw/zinc/35/07/98/170350798.db2.gz KZAUDROQLRSXNH-RXMQYKEDSA-N -1 0 262.078 2.473 40 0 CEABRM COc1ccc(-c2ncc(/C=C/C(=O)[O-])cn2)cc1 ZINC000008731019 170351283 /nfs/dbraw/zinc/35/12/83/170351283.db2.gz GBQWCLFQYJNICB-FARCUNLSSA-N -1 0 256.261 2.250 40 0 CEABRM Cc1c(C(=O)[O-])nnc2c(-c3cccc(Cl)c3)cnn21 ZINC000020343095 171153220 /nfs/dbraw/zinc/15/32/20/171153220.db2.gz UPEWYXMJBOJCIX-UHFFFAOYSA-N -1 0 288.694 2.451 40 0 CEABRM O=C([O-])CCCNC(=O)/C=C/c1cccc(Cl)c1 ZINC000037409931 173185983 /nfs/dbraw/zinc/18/59/83/173185983.db2.gz YKHBAKFRSRZUQL-VOTSOKGWSA-N -1 0 267.712 2.334 40 0 CEABRM Cc1cc(=O)c2ccc(C(F)(F)F)cc2n1CC(=O)[O-] ZINC000040164052 174196725 /nfs/dbraw/zinc/19/67/25/174196725.db2.gz UEZVIOYKFZCGRG-UHFFFAOYSA-N -1 0 285.221 2.413 40 0 CEABRM Cc1ccc(-c2ccc(C=O)o2)cc1S(=O)(=O)[O-] ZINC000045954285 175389051 /nfs/dbraw/zinc/38/90/51/175389051.db2.gz GCXSQAVOISGADH-UHFFFAOYSA-N -1 0 266.274 2.314 40 0 CEABRM CC(=O)N1CCC[C@@](CCCc2ccncc2)(C(=O)[O-])C1 ZINC000072344221 176372788 /nfs/dbraw/zinc/37/27/88/176372788.db2.gz SYUKAPCCYYJODJ-MRXNPFEDSA-N -1 0 290.363 2.118 40 0 CEABRM CCOC(=O)[C@@H]1CCCCN1c1cccc(C(=O)[O-])c1 ZINC000079025854 260302342 /nfs/dbraw/zinc/30/23/42/260302342.db2.gz CNQYRIUFQOWTDI-ZDUSSCGKSA-N -1 0 277.320 2.307 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2C(=O)[O-])C1 ZINC000306145536 278413600 /nfs/dbraw/zinc/41/36/00/278413600.db2.gz IDCSHSTTWUYEMK-NOZJJQNGSA-N -1 0 255.314 2.108 40 0 CEABRM O=c1[nH]c(=S)[n-]c2ccc(Br)cc12 ZINC000006493916 280385834 /nfs/dbraw/zinc/38/58/34/280385834.db2.gz HZLUVUSKGFGJGS-UHFFFAOYSA-N -1 0 257.112 2.348 40 0 CEABRM CC(C)c1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000041429727 280605864 /nfs/dbraw/zinc/60/58/64/280605864.db2.gz NGHARQDTNQECLQ-HNNXBMFYSA-N -1 0 277.364 2.138 40 0 CEABRM COc1cccc(-n2cc(C(=O)[O-])cnc2=S)c1 ZINC000217676569 295280925 /nfs/dbraw/zinc/28/09/25/295280925.db2.gz OEZMLNUKVVQFEY-UHFFFAOYSA-N -1 0 262.290 2.309 40 0 CEABRM Nc1c(C(=O)[O-])cnc2ccc(Br)cc12 ZINC000040175584 295345863 /nfs/dbraw/zinc/34/58/63/295345863.db2.gz NNUIEFZTKCWYTA-UHFFFAOYSA-N -1 0 267.082 2.278 40 0 CEABRM Cc1cc(O)c(I)cc1C(=O)[O-] ZINC000117032259 301369637 /nfs/dbraw/zinc/36/96/37/301369637.db2.gz XBEORXBAJZOYJF-UHFFFAOYSA-N -1 0 278.045 2.003 40 0 CEABRM Cc1ccccc1C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000013435091 302080449 /nfs/dbraw/zinc/08/04/49/302080449.db2.gz NUQBKKSLRNEBGK-OAHLLOKOSA-N -1 0 297.310 2.487 40 0 CEABRM Cc1ccccc1[C@H]1CC(=O)c2cc(C(=O)[O-])c(=O)[nH]c2C1 ZINC000020800700 302215035 /nfs/dbraw/zinc/21/50/35/302215035.db2.gz ZRBLYPYGSVBDMD-SNVBAGLBSA-N -1 0 297.310 2.294 40 0 CEABRM CNC(=O)c1cc2nc(C(=O)[O-])n(C3CC3)c2cc1Cl ZINC000225731270 333182278 /nfs/dbraw/zinc/18/22/78/333182278.db2.gz SGWLYXYMNXUYNB-UHFFFAOYSA-N -1 0 293.710 2.082 40 0 CEABRM CN1C(=O)C[C@@](C)(C(=O)[O-])c2cccc(Cl)c21 ZINC000062712444 523704304 /nfs/dbraw/zinc/70/43/04/523704304.db2.gz OJOMPAKPBFRDRM-GFCCVEGCSA-N -1 0 253.685 2.049 40 0 CEABRM O=C([O-])C[C@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000062758328 527634722 /nfs/dbraw/zinc/63/47/22/527634722.db2.gz NFJXBTRASCRJQH-YFKPBYRVSA-N -1 0 276.136 2.480 40 0 CEABRM Cc1cc(Cl)ccc1NC(=O)N/C=C/C(=O)[O-] ZINC000222696566 230398411 /nfs/dbraw/zinc/39/84/11/230398411.db2.gz VJLIYXJSKHVLDS-SNAWJCMRSA-N -1 0 254.673 2.368 40 0 CEABRM C[C@H](CC(F)(F)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000095630472 185016794 /nfs/dbraw/zinc/01/67/94/185016794.db2.gz YTNUZTROWFQUEN-SSDOTTSWSA-N -1 0 267.272 2.257 40 0 CEABRM COc1cc(C(C)=O)cc(I)c1[O-] ZINC000034753708 361794400 /nfs/dbraw/zinc/79/44/00/361794400.db2.gz JSZQVDXPKCAQJM-UHFFFAOYSA-N -1 0 292.072 2.208 40 0 CEABRM O=Cc1cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O ZINC000096312790 344239750 /nfs/dbraw/zinc/23/97/50/344239750.db2.gz OBFOBUWAXRTVPT-UHFFFAOYSA-N -1 0 287.227 2.478 40 0 CEABRM C[C@@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000225760643 344547114 /nfs/dbraw/zinc/54/71/14/344547114.db2.gz KXKZVTQSNMTKIP-ZTKNNBQKSA-N -1 0 252.232 2.453 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N1c1cccc2ccccc21 ZINC000409438440 344889677 /nfs/dbraw/zinc/88/96/77/344889677.db2.gz CPWFDFFXEURFCT-ZDUSSCGKSA-N -1 0 255.273 2.420 40 0 CEABRM CCn1nc(-c2cccnc2)c(Br)c1C(=O)[O-] ZINC000409444066 344890010 /nfs/dbraw/zinc/89/00/10/344890010.db2.gz ZMVXDRDVQHIKLH-UHFFFAOYSA-N -1 0 296.124 2.426 40 0 CEABRM COc1cc2c(=O)ccn([C@@H](C)C(=O)[O-])c2cc1Cl ZINC000064874646 362797598 /nfs/dbraw/zinc/79/75/98/362797598.db2.gz IBXDXOYPMPPXCJ-ZETCQYMHSA-N -1 0 281.695 2.309 40 0 CEABRM CCOC(=O)c1cc(=O)c2ccc(Cl)cc2[n-]1 ZINC000006265610 539703910 /nfs/dbraw/zinc/70/39/10/539703910.db2.gz MPFLWPZPVZUSCC-UHFFFAOYSA-N -1 0 251.669 2.358 40 0 CEABRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)OCc2ccccc2)C1 ZINC000091691935 180228021 /nfs/dbraw/zinc/22/80/21/180228021.db2.gz SOYXQVSBDHHRLV-YPMHNXCESA-N -1 0 277.320 2.366 40 0 CEABRM O=C([O-])/C=C\c1cc2c(cc1Br)OCO2 ZINC000032231649 304024062 /nfs/dbraw/zinc/02/40/62/304024062.db2.gz FIFYPFARGVBVGX-UPHRSURJSA-N -1 0 271.066 2.276 40 0 CEABRM O=C([O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020185168 304026941 /nfs/dbraw/zinc/02/69/41/304026941.db2.gz LXVFBWURJSOOON-UHFFFAOYSA-N -1 0 267.590 2.382 40 0 CEABRM CC(C)Oc1ccccc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000035007 361119181 /nfs/dbraw/zinc/11/91/81/361119181.db2.gz ZJDOVGPDRKBVER-JQWIXIFHSA-N -1 0 267.350 2.262 40 0 CEABRM Nc1c(Cl)ncnc1Nc1ccccc1C(=O)[O-] ZINC000001680071 361216641 /nfs/dbraw/zinc/21/66/41/361216641.db2.gz AZTUSJVXCCAYBE-UHFFFAOYSA-N -1 0 264.672 2.154 40 0 CEABRM O=CN(Cc1nc2ccccc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000001688755 361217304 /nfs/dbraw/zinc/21/73/04/361217304.db2.gz FSCLGIGYPFWUHQ-UHFFFAOYSA-N -1 0 295.298 2.424 40 0 in-vivo CEABRM O=C([O-])[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001711909 361218773 /nfs/dbraw/zinc/21/87/73/361218773.db2.gz AHQBPPMVUWDQEU-ZDUSSCGKSA-N -1 0 276.313 2.286 40 0 CEABRM COC(=O)[N-]S(=O)(=O)C1=Cc2cccc3cccc1c23 ZINC000001711405 361218880 /nfs/dbraw/zinc/21/88/80/361218880.db2.gz PXYAIGHEHWQDSC-UHFFFAOYSA-N -1 0 289.312 2.337 40 0 CEABRM CC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004016961 361297265 /nfs/dbraw/zinc/29/72/65/361297265.db2.gz BZCOJKQCVCRIOF-OSRDXIQISA-N -1 0 299.326 2.351 40 0 CEABRM CCS(=O)(=O)C=C([O-])c1ccc(Br)cc1 ZINC000081907170 363747353 /nfs/dbraw/zinc/74/73/53/363747353.db2.gz OOVNOWDRSFBAKJ-UHFFFAOYSA-N -1 0 291.166 2.067 40 0 CEABRM C=CC(=O)N[C@@H](C(=O)[O-])C(C)(C)SCc1ccccc1 ZINC000005715124 361335536 /nfs/dbraw/zinc/33/55/36/361335536.db2.gz QMRAIPSDXFOOOM-ZDUSSCGKSA-N -1 0 293.388 2.454 40 0 CEABRM CCc1c(C)[n-]n2c1nc(-c1cn(CC)nc1C)cc2=O ZINC000100733073 364549816 /nfs/dbraw/zinc/54/98/16/364549816.db2.gz JYVIKAMKDQNBAT-UHFFFAOYSA-N -1 0 285.351 2.498 40 0 CEABRM CCC(=O)c1ccc(OCc2ncc(C(=O)[O-])cn2)cc1 ZINC000217380422 370195212 /nfs/dbraw/zinc/19/52/12/370195212.db2.gz HLXNSXZZTBVEOC-UHFFFAOYSA-N -1 0 286.287 2.347 40 0 CEABRM CC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)Nc1nn[nH]n1)(C3)C2 ZINC000217404623 370195333 /nfs/dbraw/zinc/19/53/33/370195333.db2.gz AGQMBQLYIPSXBR-RHDKGSJBSA-N -1 0 275.356 2.135 40 0 CEABRM CCC1=NC2(CCC(C(=O)[O-])CC2)C(=O)N1CC1CC1 ZINC000306135421 376539528 /nfs/dbraw/zinc/53/95/28/376539528.db2.gz OQFNOKHRVCOWCE-UHFFFAOYSA-N -1 0 278.352 2.061 40 0 CEABRM O=C([O-])c1ccccc1CNCc1ccn(CC(F)F)n1 ZINC000256051487 304269439 /nfs/dbraw/zinc/26/94/39/304269439.db2.gz JIYCMNFZNOZVKV-UHFFFAOYSA-N -1 0 295.289 2.136 40 0 CEABRM O=C([O-])c1cnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000050102986 304275079 /nfs/dbraw/zinc/27/50/79/304275079.db2.gz JEYARIKEBHRVFA-UHFFFAOYSA-N -1 0 284.193 2.154 40 0 CEABRM COc1ccc([C@H](OCC(=O)[O-])C(F)(F)F)cc1OC ZINC000095096375 184943921 /nfs/dbraw/zinc/94/39/21/184943921.db2.gz JWRRRAIWUNKWLF-NSHDSACASA-N -1 0 294.225 2.408 40 0 CEABRM COc1nn(C)c2ccc(S[C@@H](C)C(=O)[O-])cc12 ZINC000225774274 533298574 /nfs/dbraw/zinc/29/85/74/533298574.db2.gz CZLRXNKVBNIANG-ZETCQYMHSA-N -1 0 266.322 2.147 40 0 CEABRM CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)Nc2cccnc2)C1 ZINC000004165059 394455246 /nfs/dbraw/zinc/45/52/46/394455246.db2.gz BPTDYORIUWSERV-RAIGVLPGSA-N -1 0 274.320 2.323 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)OC12CCSCC2 ZINC000062702405 394569976 /nfs/dbraw/zinc/56/99/76/394569976.db2.gz QLTMCIINOXARII-LLVKDONJSA-N -1 0 278.329 2.291 40 0 CEABRM Cc1cccc(-n2nc(C(=O)[O-])c(C(F)(F)F)n2)c1 ZINC000089263332 394647883 /nfs/dbraw/zinc/64/78/83/394647883.db2.gz GXKBJOBZVKQXJK-UHFFFAOYSA-N -1 0 271.198 2.293 40 0 CEABRM O=C([O-])c1cc(OC(F)F)n(Cc2ccccc2)n1 ZINC000096510745 394693991 /nfs/dbraw/zinc/69/39/91/394693991.db2.gz MGLYBLIDYKGLFA-UHFFFAOYSA-N -1 0 268.219 2.231 40 0 CEABRM CCC(=C([O-])c1ccccc1F)S(=O)(=O)CC ZINC000096518083 394694976 /nfs/dbraw/zinc/69/49/76/394694976.db2.gz QZKSMSYJNQPMOC-NSHDSACASA-N -1 0 258.314 2.222 40 0 CEABRM CCC(=C([O-])c1ccccc1C)S(=O)(=O)CC ZINC000096518087 394695136 /nfs/dbraw/zinc/69/51/36/394695136.db2.gz NAPSCTYROUMNJP-LBPRGKRZSA-N -1 0 254.351 2.391 40 0 CEABRM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CC(C)(C)C1 ZINC000409427568 395304442 /nfs/dbraw/zinc/30/44/42/395304442.db2.gz WDFVPBQEHWJFSC-UHFFFAOYSA-N -1 0 257.330 2.402 40 0 CEABRM Nc1ccc(C2=CCCCC2)cc1S(=O)(=O)[O-] ZINC000255189943 400316813 /nfs/dbraw/zinc/31/68/13/400316813.db2.gz TWTRFBAMLJWSSK-UHFFFAOYSA-N -1 0 253.323 2.473 40 0 CEABRM COC(=O)[C@H](CC(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000001708525 169747035 /nfs/dbraw/zinc/74/70/35/169747035.db2.gz SIEYAZMHRJHSEX-JOYOIKCWSA-N -1 0 266.293 2.063 40 0 CEABRM O=c1[n-]c(Nc2cccnc2)nnc1Cc1ccc(F)cc1 ZINC000005154618 170071137 /nfs/dbraw/zinc/07/11/37/170071137.db2.gz PBURAHXTNVGBFI-UHFFFAOYSA-N -1 0 297.293 2.033 40 0 CEABRM O=C([O-])c1ccc(CNc2ccc3c(c2)OCO3)o1 ZINC000008702238 170347437 /nfs/dbraw/zinc/34/74/37/170347437.db2.gz PHUBYJDVZHUZJX-UHFFFAOYSA-N -1 0 261.233 2.319 40 0 CEABRM CCO/C(=C\c1ccc(OC)cc1)c1n[n-]c(=N)s1 ZINC000408717994 260027984 /nfs/dbraw/zinc/02/79/84/260027984.db2.gz ZHGAIFYXACIQLP-FLIBITNWSA-N -1 0 277.349 2.494 40 0 CEABRM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2C(=O)[O-])CC1 ZINC000258666552 278384402 /nfs/dbraw/zinc/38/44/02/278384402.db2.gz VGOWNBSVXXGVHA-JTQLQIEISA-N -1 0 269.341 2.498 40 0 CEABRM COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-] ZINC000002478743 295374602 /nfs/dbraw/zinc/37/46/02/295374602.db2.gz ZOXKNVCXIKCYPF-GIFSMMMISA-N -1 0 287.315 2.157 40 0 CEABRM C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000220296389 297686513 /nfs/dbraw/zinc/68/65/13/297686513.db2.gz XAGZJDIKHFHOLH-JTGSROGXSA-N -1 0 291.391 2.450 40 0 CEABRM Cc1n[nH]c(=O)c(C)c1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000035316055 302476025 /nfs/dbraw/zinc/47/60/25/302476025.db2.gz RESLDSDAIYHHGX-UHFFFAOYSA-N -1 0 278.695 2.405 40 0 CEABRM Cc1nn(-c2ccccc2C(F)(F)F)nc1C(=O)[O-] ZINC000089261788 302727403 /nfs/dbraw/zinc/72/74/03/302727403.db2.gz LQEQCZISAHVAMZ-UHFFFAOYSA-N -1 0 271.198 2.293 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000243387274 333426031 /nfs/dbraw/zinc/42/60/31/333426031.db2.gz MKDDMDQBGWHNKU-UHFFFAOYSA-N -1 0 266.366 2.399 40 0 CEABRM CCOc1ccccc1N1C(=O)S[C@@H](CC(=O)[O-])C1=O ZINC000036635213 361849828 /nfs/dbraw/zinc/84/98/28/361849828.db2.gz VMSORZODYAZCRR-JTQLQIEISA-N -1 0 295.316 2.128 40 0 CEABRM [NH3+][C@@H](CC(=O)[O-])c1cc(Cl)c([O-])c(Cl)c1 ZINC000044217118 362149953 /nfs/dbraw/zinc/14/99/53/362149953.db2.gz UNLQAZZQNCPHHP-ZETCQYMHSA-N -1 0 250.081 2.174 40 0 CEABRM CCCc1nnc(COc2cccc(C(=O)[O-])c2)o1 ZINC000008731384 343362827 /nfs/dbraw/zinc/36/28/27/343362827.db2.gz WWEBAVFUUPNPSC-UHFFFAOYSA-N -1 0 262.265 2.299 40 0 CEABRM O=C([N-]S(=O)(=O)c1ccccc1)Oc1ccccc1 ZINC000001926254 343351469 /nfs/dbraw/zinc/35/14/69/343351469.db2.gz VEHJNSOWFJORJJ-UHFFFAOYSA-N -1 0 277.301 2.164 40 0 CEABRM C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)c1ccncc1 ZINC000063772281 343683508 /nfs/dbraw/zinc/68/35/08/343683508.db2.gz FSPMDTKYFVTYBB-VIFPVBQESA-N -1 0 266.297 2.296 40 0 CEABRM CC(C)(C)OC(=O)N1CCc2c(cncc2C(=O)[O-])C1 ZINC000095740487 344237310 /nfs/dbraw/zinc/23/73/10/344237310.db2.gz USMOUCKEBWITHA-UHFFFAOYSA-N -1 0 278.308 2.073 40 0 CEABRM CC(C)(C)OCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133086752 344367139 /nfs/dbraw/zinc/36/71/39/344367139.db2.gz CLZGRHJSOQWDPX-SECBINFHSA-N -1 0 275.345 2.170 40 0 CEABRM O=C([O-])c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000141283430 344400956 /nfs/dbraw/zinc/40/09/56/344400956.db2.gz JANOFBIDZFXRKA-UHFFFAOYSA-N -1 0 251.116 2.192 40 0 CEABRM O=C([O-])c1nn(-c2ccc(F)cc2)nc1N1CCCCC1 ZINC000256048640 344646911 /nfs/dbraw/zinc/64/69/11/344646911.db2.gz VCJDCQAOAMRNNW-UHFFFAOYSA-N -1 0 290.298 2.095 40 0 CEABRM O=C([O-])CC1CCN(c2ccnc(Cl)c2)CC1 ZINC000409431015 344888886 /nfs/dbraw/zinc/88/88/86/344888886.db2.gz YMTXNOARFQELRZ-UHFFFAOYSA-N -1 0 254.717 2.426 40 0 CEABRM O=C([O-])c1cncn1Cc1cccc(Br)c1 ZINC000098214015 185700501 /nfs/dbraw/zinc/70/05/01/185700501.db2.gz YQHGYBXDJCOTRL-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM CCOC(=O)c1c(Br)n[n-]c1Br ZINC000075629683 363479549 /nfs/dbraw/zinc/47/95/49/363479549.db2.gz TUCQGGPBWUREHK-UHFFFAOYSA-N -1 0 297.934 2.111 40 0 CEABRM CCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1CC ZINC000033413924 283315932 /nfs/dbraw/zinc/31/59/32/283315932.db2.gz DXIGOXJMZWNMGA-OLZOCXBDSA-N -1 0 261.321 2.499 40 0 CEABRM O=C([O-])C[C@H]1SC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000001236695 361199452 /nfs/dbraw/zinc/19/94/52/361199452.db2.gz PNIVSAZELOZYJY-SECBINFHSA-N -1 0 299.735 2.379 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2 ZINC000001602355 361211166 /nfs/dbraw/zinc/21/11/66/361211166.db2.gz FTKIFEVGBKEJPV-OZSKJFCKSA-N -1 0 295.294 2.328 40 0 CEABRM CC(C)CCCC[C@H](C)Cc1c([O-])[nH]c(=O)[nH]c1=O ZINC000001710445 361218187 /nfs/dbraw/zinc/21/81/87/361218187.db2.gz AZLYAPHUOVQOPX-JTQLQIEISA-N -1 0 268.357 2.211 40 0 CEABRM O=C([O-])c1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000008702273 361342722 /nfs/dbraw/zinc/34/27/22/361342722.db2.gz WEACBKGWUPSAFX-UHFFFAOYSA-N -1 0 286.331 2.300 40 0 CEABRM C[C@@H](C(=O)[O-])n1cc(Br)c(C2CC2)n1 ZINC000015937378 361481782 /nfs/dbraw/zinc/48/17/82/361481782.db2.gz FXWZFYGYINSHLQ-YFKPBYRVSA-N -1 0 259.103 2.169 40 0 CEABRM O=C([O-])C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019329303 361528445 /nfs/dbraw/zinc/52/84/45/361528445.db2.gz KYFMTTSEQXSQMF-UHFFFAOYSA-N -1 0 296.370 2.415 40 0 CEABRM O=C([O-])C(=O)c1c[nH]c2c1cccc2Br ZINC000089204231 363948914 /nfs/dbraw/zinc/94/89/14/363948914.db2.gz SZGABLCHCGOICN-UHFFFAOYSA-N -1 0 268.066 2.198 40 0 CEABRM CCOC(=O)c1[n-]c(Cl)c(C(=O)OCC)c1C ZINC000095096606 364340352 /nfs/dbraw/zinc/34/03/52/364340352.db2.gz ZUWDUDSLDPKZHU-UHFFFAOYSA-N -1 0 259.689 2.330 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1F ZINC000135642010 304155772 /nfs/dbraw/zinc/15/57/72/304155772.db2.gz MFNCECIILNXPSI-GAQJKIJGSA-N -1 0 275.279 2.287 40 0 CEABRM Cc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)cc1C ZINC000409049166 375519060 /nfs/dbraw/zinc/51/90/60/375519060.db2.gz VFJMPZOCAANHEX-NTEUORMPSA-N -1 0 281.315 2.274 40 0 CEABRM Cc1n[nH]c(SC(=Cc2ccc(C)o2)C(=O)[O-])n1 ZINC000409191520 375520654 /nfs/dbraw/zinc/52/06/54/375520654.db2.gz YCMHWKKPAGWOTL-UITAMQMPSA-N -1 0 265.294 2.232 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CC(F)(F)C1 ZINC000409428872 375523697 /nfs/dbraw/zinc/52/36/97/375523697.db2.gz BEYXDNVWKXTSEO-SSDOTTSWSA-N -1 0 265.256 2.010 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000226588287 304209746 /nfs/dbraw/zinc/20/97/46/304209746.db2.gz IOFJUNNZKGARLU-XRGAULLZSA-N -1 0 297.354 2.489 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000004197935 304210907 /nfs/dbraw/zinc/21/09/07/304210907.db2.gz FANNLHCEDDRGKZ-PSJXJDHFSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000006728740 304211029 /nfs/dbraw/zinc/21/10/29/304211029.db2.gz BMMLNQKDAJPMDU-HTEOGMQZSA-N -1 0 293.269 2.426 40 0 CEABRM CC(=O)N/C(=C\c1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC000039323050 184545438 /nfs/dbraw/zinc/54/54/38/184545438.db2.gz SECOIPRQPZCVBL-QCDXTXTGSA-N -1 0 278.695 2.383 40 0 CEABRM O=C([O-])c1nc2cccc(F)c2n1CC(F)(F)F ZINC000255187262 304283589 /nfs/dbraw/zinc/28/35/89/304283589.db2.gz CJABMPPKHVKYPE-UHFFFAOYSA-N -1 0 262.162 2.436 40 0 CEABRM Cc1c(C)c2c(c(C)c1O)S[C@H](CC(=O)[O-])C(=O)O2 ZINC000001757410 394452208 /nfs/dbraw/zinc/45/22/08/394452208.db2.gz SCGUJVPDOBJCCU-MRVPVSSYSA-N -1 0 282.317 2.172 40 0 CEABRM Cc1c(C(=O)[O-])n[nH]c1-c1ccc2c(c1)OCCCO2 ZINC000072220427 394594277 /nfs/dbraw/zinc/59/42/77/394594277.db2.gz MMYRGLHTZORKBM-UHFFFAOYSA-N -1 0 274.276 2.245 40 0 CEABRM CCC(=C([O-])c1cccc(C)c1)S(=O)(=O)CC ZINC000096518092 394695247 /nfs/dbraw/zinc/69/52/47/394695247.db2.gz ZXKLKAJCXANGEY-GFCCVEGCSA-N -1 0 254.351 2.391 40 0 CEABRM CC(C)Oc1ccccc1C1=NO[C@@](C)(C(=O)[O-])C1 ZINC000096525926 394697397 /nfs/dbraw/zinc/69/73/97/394697397.db2.gz HCVHPQWNMQNPEM-CQSZACIVSA-N -1 0 263.293 2.442 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@@H](c1cccc(F)c1)C2 ZINC000096530343 394697890 /nfs/dbraw/zinc/69/78/90/394697890.db2.gz WXRIOSYPHWMTOI-SNVBAGLBSA-N -1 0 261.256 2.196 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@H](c1ccc(F)cc1)C2 ZINC000096530374 394698170 /nfs/dbraw/zinc/69/81/70/394698170.db2.gz ZXLYKKGHKJWLLT-NSHDSACASA-N -1 0 275.283 2.450 40 0 CEABRM Cc1c(C(=O)[O-])sc2nc(COc3ccccc3)nn12 ZINC000098146321 394702488 /nfs/dbraw/zinc/70/24/88/394702488.db2.gz MEJANGXWYPUJLW-UHFFFAOYSA-N -1 0 289.316 2.376 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000242548083 400315495 /nfs/dbraw/zinc/31/54/95/400315495.db2.gz LBTSSENZJINNDI-VHRBIJSZSA-N -1 0 261.321 2.459 40 0 CEABRM Cc1ccc(-n2ccc(Cl)c(C(=O)[O-])c2=O)cc1 ZINC000575421741 400608825 /nfs/dbraw/zinc/60/88/25/400608825.db2.gz ATRTUMBAQSYHSB-UHFFFAOYSA-N -1 0 263.680 2.498 40 0 CEABRM CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccc(O)cc1 ZINC000004130138 169935886 /nfs/dbraw/zinc/93/58/86/169935886.db2.gz PNVDIHJRGBPVKE-QMMMGPOBSA-N -1 0 293.348 2.236 40 0 CEABRM C[C@H](Sc1nc2ccc(N)cc2s1)C(=O)[O-] ZINC000005335948 170087010 /nfs/dbraw/zinc/08/70/10/170087010.db2.gz ARKNWDAYQMCMGG-YFKPBYRVSA-N -1 0 254.336 2.444 40 0 CEABRM C[C@@H](N(N=O)c1cccc(Cl)c1)S(=O)(=O)[O-] ZINC000005410401 170095557 /nfs/dbraw/zinc/09/55/57/170095557.db2.gz UPDKWVOAMRCZFD-LURJTMIESA-N -1 0 264.690 2.062 40 0 CEABRM O=S(=O)([O-])[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000006578969 170215138 /nfs/dbraw/zinc/21/51/38/170215138.db2.gz NVZMMQLYQHEQES-CQSZACIVSA-N -1 0 278.329 2.025 40 0 CEABRM O=C([O-])[C@@H]1[C@H](C(=O)NCC2CCCCC2)[C@@H]2CC[C@H]1C2 ZINC000006728283 170233499 /nfs/dbraw/zinc/23/34/99/170233499.db2.gz IRBSKFHBNRYZPR-RQJABVFESA-N -1 0 279.380 2.430 40 0 CEABRM Cc1ccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-])cc1 ZINC000008700629 170346725 /nfs/dbraw/zinc/34/67/25/170346725.db2.gz DROMKHRRVLLBPM-RYUDHWBXSA-N -1 0 295.335 2.006 40 0 CEABRM CCC[C@@H](Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000008702821 170347370 /nfs/dbraw/zinc/34/73/70/170347370.db2.gz BEXHMQRBHSJCJE-LLVKDONJSA-N -1 0 253.298 2.369 40 0 CEABRM COc1ccc(NCC(C)(C)C(=O)[O-])c(OC)c1 ZINC000008702846 170347477 /nfs/dbraw/zinc/34/74/77/170347477.db2.gz UGLYIEKWPILYKY-UHFFFAOYSA-N -1 0 253.298 2.227 40 0 CEABRM COc1cc(C=O)ccc1OCCCSCC(=O)[O-] ZINC000008731443 170351242 /nfs/dbraw/zinc/35/12/42/170351242.db2.gz XOSODKLBYSQIGR-UHFFFAOYSA-N -1 0 284.333 2.094 40 0 CEABRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)C ZINC000008906864 170358477 /nfs/dbraw/zinc/35/84/77/170358477.db2.gz WWPSJHPZMWLOEO-UHFFFAOYSA-N -1 0 251.282 2.053 40 0 CEABRM Cc1nc(Nc2nc(C)cc(C)n2)sc1C(=O)[O-] ZINC000020353427 171156706 /nfs/dbraw/zinc/15/67/06/171156706.db2.gz GTYLDTWMVKNRNT-UHFFFAOYSA-N -1 0 264.310 2.300 40 0 CEABRM C[C@@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCC1 ZINC000035083132 171969000 /nfs/dbraw/zinc/96/90/00/171969000.db2.gz GSENZJWJQFRHKA-LLVKDONJSA-N -1 0 253.342 2.423 40 0 CEABRM Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1N ZINC000040469943 174278286 /nfs/dbraw/zinc/27/82/86/174278286.db2.gz QHGSWAAYDPLPDH-UHFFFAOYSA-N -1 0 286.287 2.233 40 0 CEABRM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460039 175941997 /nfs/dbraw/zinc/94/19/97/175941997.db2.gz HSCAQFKYWBMPCF-GFCCVEGCSA-N -1 0 271.320 2.378 40 0 CEABRM CCOc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC000072202803 176341523 /nfs/dbraw/zinc/34/15/23/176341523.db2.gz DLEXGQNBBCPGTH-UHFFFAOYSA-N -1 0 252.291 2.485 40 0 CEABRM CN1CCC[C@H]1c1csc([N-]c2ncccn2)n1 ZINC000072384590 176388976 /nfs/dbraw/zinc/38/89/76/176388976.db2.gz MSXVZYZALHYLRV-JTQLQIEISA-N -1 0 261.354 2.443 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](CSCC(=O)[O-])C1 ZINC000079392102 177475396 /nfs/dbraw/zinc/47/53/96/177475396.db2.gz KOIJLNWIDXICCN-SNVBAGLBSA-N -1 0 289.397 2.451 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000090635755 278415830 /nfs/dbraw/zinc/41/58/30/278415830.db2.gz SFBZDQKMJLUZQF-IVZWLZJFSA-N -1 0 255.314 2.107 40 0 CEABRM Cc1cccc(C)c1N1C(=O)S[C@@H](CC(=O)[O-])C1=O ZINC000036635197 301971393 /nfs/dbraw/zinc/97/13/93/301971393.db2.gz WUQTWVDTQURYTP-VIFPVBQESA-N -1 0 279.317 2.347 40 0 CEABRM CNC(=O)c1cc2nc(C(=O)[O-])n(C(C)C)c2cc1Cl ZINC000225730640 333182143 /nfs/dbraw/zinc/18/21/43/333182143.db2.gz GOFXISMWANCLJK-UHFFFAOYSA-N -1 0 295.726 2.328 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2ccc(Cl)cc21 ZINC000062718813 527603809 /nfs/dbraw/zinc/60/38/09/527603809.db2.gz ILFOMYQGZVIHEE-UHFFFAOYSA-N -1 0 251.669 2.130 40 0 CEABRM CCOC(=O)c1[n-]c2cccc(F)c2c(=O)c1Cl ZINC000685936925 570388759 /nfs/dbraw/zinc/38/87/59/570388759.db2.gz CNXGTUBJVFXPSH-UHFFFAOYSA-N -1 0 269.659 2.497 40 0 CEABRM CCCn1nc(-c2ccccc2)cc(C(=O)[O-])c1=O ZINC000082461265 178037698 /nfs/dbraw/zinc/03/76/98/178037698.db2.gz CHXIKOKHWBQBNW-UHFFFAOYSA-N -1 0 258.277 2.019 40 0 CEABRM COC(=O)c1cc(CC(=O)[O-])cc(C(F)(F)F)c1 ZINC000095764739 185027145 /nfs/dbraw/zinc/02/71/45/185027145.db2.gz NIOKSJYDDSZKFP-UHFFFAOYSA-N -1 0 262.183 2.119 40 0 CEABRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1 ZINC000082918423 178330325 /nfs/dbraw/zinc/33/03/25/178330325.db2.gz NVZVMVSTQZDUJQ-VXGBXAGGSA-N -1 0 263.293 2.166 40 0 CEABRM CC(C)c1nnc(COc2cccc(C(=O)[O-])c2)o1 ZINC000015418554 343369764 /nfs/dbraw/zinc/36/97/64/343369764.db2.gz WUUJSLRSTLORQJ-UHFFFAOYSA-N -1 0 262.265 2.470 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466589 362363585 /nfs/dbraw/zinc/36/35/85/362363585.db2.gz LBTSSENZJINNDI-SUHUHFCYSA-N -1 0 261.321 2.459 40 0 CEABRM CC(C)CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466493 362364404 /nfs/dbraw/zinc/36/44/04/362364404.db2.gz DJDWDFNEKUILHT-OCCSQVGLSA-N -1 0 261.321 2.317 40 0 CEABRM O=C([O-])c1cnc(COc2ccccc2Cl)nc1 ZINC000049468349 362366013 /nfs/dbraw/zinc/36/60/13/362366013.db2.gz JHWLZAJVZDRQHC-UHFFFAOYSA-N -1 0 264.668 2.407 40 0 CEABRM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@](F)(C(=O)[O-])C1 ZINC000110916143 344270467 /nfs/dbraw/zinc/27/04/67/344270467.db2.gz AHMNVTBWLXQFFX-JTQLQIEISA-N -1 0 283.246 2.055 40 0 CEABRM Cc1cc(C)cc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c1 ZINC000256048375 344646974 /nfs/dbraw/zinc/64/69/74/344646974.db2.gz SNXUBNQEUAWUDJ-UHFFFAOYSA-N -1 0 286.335 2.183 40 0 CEABRM Cc1c(Br)c(-c2ccncc2)nn1CC(=O)[O-] ZINC000409443953 344890096 /nfs/dbraw/zinc/89/00/96/344890096.db2.gz XILHKMTUIDTKSB-UHFFFAOYSA-N -1 0 296.124 2.101 40 0 CEABRM Cc1ccc(OCC2(C(=O)[O-])CCOCC2)cc1 ZINC000085390558 179048139 /nfs/dbraw/zinc/04/81/39/179048139.db2.gz RKKNEUFRIMLMMW-UHFFFAOYSA-N -1 0 250.294 2.255 40 0 CEABRM Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000101561457 185745716 /nfs/dbraw/zinc/74/57/16/185745716.db2.gz DPIYLNBWJWVKMC-PHIMTYICSA-N -1 0 296.392 2.381 40 0 CEABRM O=C([O-])CCc1nc(-c2cccc(OC(F)F)c2)no1 ZINC000089262135 179762071 /nfs/dbraw/zinc/76/20/71/179762071.db2.gz JMHHFAHUCGMVNB-UHFFFAOYSA-N -1 0 284.218 2.355 40 0 CEABRM O=C([O-])[C@@H]1C[C@H](F)CN(C(=O)OCc2ccccc2)C1 ZINC000116185633 186699173 /nfs/dbraw/zinc/69/91/73/186699173.db2.gz QGRPPKXRMWZVMA-NEPJUHHUSA-N -1 0 281.283 2.068 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](c2ccccn2)[C@H](C(=O)[O-])C1 ZINC000071613096 363111262 /nfs/dbraw/zinc/11/12/62/363111262.db2.gz BCVDNYNGCYPVGC-WDEREUQCSA-N -1 0 292.335 2.117 40 0 CEABRM O=C([O-])CCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000037429968 304054342 /nfs/dbraw/zinc/05/43/42/304054342.db2.gz XMKFCLUFZUUDGK-UHFFFAOYSA-N -1 0 265.353 2.184 40 0 CEABRM CCOn1c(-c2ccc(C)cc2)nc(C)c1C(=O)[O-] ZINC000575410903 366281384 /nfs/dbraw/zinc/28/13/84/366281384.db2.gz KXFSQURNUIDEPT-UHFFFAOYSA-N -1 0 260.293 2.314 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2ccc(C)cc2C)C1 ZINC000685937381 540319451 /nfs/dbraw/zinc/31/94/51/540319451.db2.gz RRCCUCFPBDPTED-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM O=C([O-])C[C@@H]1CSc2nc(-c3ccccc3)cc(=O)n21 ZINC000085397266 304080930 /nfs/dbraw/zinc/08/09/30/304080930.db2.gz ZBIVBADFYYFQOA-SNVBAGLBSA-N -1 0 288.328 2.032 40 0 CEABRM COc1ccc(Br)c2c1C(=O)C[C@H](C(=O)[O-])C2 ZINC000139460422 366557011 /nfs/dbraw/zinc/55/70/11/366557011.db2.gz CKVOYDGLTFCEET-ZCFIWIBFSA-N -1 0 299.120 2.287 40 0 CEABRM COc1ccc(Br)c2c1C(=O)C[C@@H](C(=O)[O-])C2 ZINC000139460549 366557033 /nfs/dbraw/zinc/55/70/33/366557033.db2.gz CKVOYDGLTFCEET-LURJTMIESA-N -1 0 299.120 2.287 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1c(F)cccc1Cl ZINC000085393299 304098206 /nfs/dbraw/zinc/09/82/06/304098206.db2.gz FUQDJZQLAGHPHE-GPXNAGAYSA-N -1 0 258.632 2.168 40 0 CEABRM O=C([O-])[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 ZINC000020594143 304098737 /nfs/dbraw/zinc/09/87/37/304098737.db2.gz UYCWRKRHUGMJDH-VIFPVBQESA-N -1 0 259.183 2.283 40 0 CEABRM O=C([O-])CCCN1C(=O)S/C(=C/c2ccco2)C1=O ZINC000001470516 361206088 /nfs/dbraw/zinc/20/60/88/361206088.db2.gz HOLBEDDZPQNNKJ-VQHVLOKHSA-N -1 0 281.289 2.181 40 0 CEABRM C[C@H]1CCCCN1C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000001469225 361206539 /nfs/dbraw/zinc/20/65/39/361206539.db2.gz UKKWDQAREXKONO-SRVKXCTJSA-N -1 0 251.326 2.054 40 0 CEABRM Nc1c2cc(Cl)c(Cl)cc2nnc1C(=O)[O-] ZINC000001643152 361213188 /nfs/dbraw/zinc/21/31/88/361213188.db2.gz IMBXVSYZRSVZCD-UHFFFAOYSA-N -1 0 258.064 2.217 40 0 CEABRM C[C@@H](C[C@H](C)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000003159851 361266043 /nfs/dbraw/zinc/26/60/43/361266043.db2.gz RVQLEDIWHBNDNG-QWRGUYRKSA-N -1 0 250.294 2.477 40 0 CEABRM COc1ccc(CNc2ncccc2C(=O)[O-])cc1 ZINC000013090529 361417711 /nfs/dbraw/zinc/41/77/11/361417711.db2.gz IQAFODSQEHEUNS-UHFFFAOYSA-N -1 0 258.277 2.401 40 0 CEABRM Cc1cc2nc([C@@H](C)NC(=O)CC(C)(C)C)cc(=O)n2[n-]1 ZINC000019129694 361520943 /nfs/dbraw/zinc/52/09/43/361520943.db2.gz HIDMNZJMBGHVFW-SNVBAGLBSA-N -1 0 290.367 2.357 40 0 CEABRM Cc1nn(-c2nc(C)c(Cl)cc2Cl)nc1C(=O)[O-] ZINC000089262170 363951776 /nfs/dbraw/zinc/95/17/76/363951776.db2.gz UUXNSDJTWVOFTJ-UHFFFAOYSA-N -1 0 287.106 2.284 40 0 CEABRM CCOc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000116937219 365081987 /nfs/dbraw/zinc/08/19/87/365081987.db2.gz XOYXRZWBPPWYSM-UHFFFAOYSA-N -1 0 293.348 2.058 40 0 CEABRM COc1ccccc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000225316328 189746625 /nfs/dbraw/zinc/74/66/25/189746625.db2.gz ORHJTDVZXKIIKW-UHFFFAOYSA-N -1 0 299.326 2.422 40 0 CEABRM C[C@H]1[C@H](NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CCC[C@@H]1C ZINC000220296244 370231088 /nfs/dbraw/zinc/23/10/88/370231088.db2.gz XAGZJDIKHFHOLH-XSGSKYOYSA-N -1 0 291.391 2.450 40 0 CEABRM CCCO[C@H](Cc1cc(C)ccc1OC)C(=O)[O-] ZINC000225119180 370285393 /nfs/dbraw/zinc/28/53/93/370285393.db2.gz GNULXYLBQWFMSN-CYBMUJFWSA-N -1 0 252.310 2.426 40 0 CEABRM COc1ccc(C[C@@H](OC(C)C)C(=O)[O-])c(OC)c1 ZINC000225113879 370285474 /nfs/dbraw/zinc/28/54/74/370285474.db2.gz XEFFUTXPNXUOAS-CYBMUJFWSA-N -1 0 268.309 2.125 40 0 CEABRM CC(C)(C)OC(=O)C1=C(O)CCC12CCN(C(=O)[O-])CC2 ZINC000265540613 372022776 /nfs/dbraw/zinc/02/27/76/372022776.db2.gz KBXSPJDIJSSNEP-NSHDSACASA-N -1 0 297.351 2.067 40 0 CEABRM O=C([O-])c1ccc(Br)nc1C(F)F ZINC000238660639 189901184 /nfs/dbraw/zinc/90/11/84/189901184.db2.gz XYSNKLIXBHLKLC-UHFFFAOYSA-N -1 0 252.014 2.480 40 0 CEABRM C[C@@H](C(=O)[O-])n1ncc(Br)c1C(F)F ZINC000408717097 375516522 /nfs/dbraw/zinc/51/65/22/375516522.db2.gz VTILQZNTYHQCJJ-VKHMYHEASA-N -1 0 269.045 2.229 40 0 CEABRM CCn1nc(NCc2ccc(F)s2)cc1C(=O)[O-] ZINC000256053538 190004780 /nfs/dbraw/zinc/00/47/80/190004780.db2.gz RVIXTPIVCHQTTE-UHFFFAOYSA-N -1 0 269.301 2.414 40 0 CEABRM Cc1noc(C)c1-c1ccc2ccn(CC(=O)[O-])c2n1 ZINC000257313473 190031829 /nfs/dbraw/zinc/03/18/29/190031829.db2.gz USQJTAQZDLBNMU-UHFFFAOYSA-N -1 0 271.276 2.393 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000169619948 304209734 /nfs/dbraw/zinc/20/97/34/304209734.db2.gz TYAYPIWADLHQNF-XRGAULLZSA-N -1 0 297.354 2.094 40 0 CEABRM O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)c1 ZINC000004305273 304261054 /nfs/dbraw/zinc/26/10/54/304261054.db2.gz BMDLTEZWROCHSR-IOQCUFBNSA-N -1 0 297.310 2.086 40 0 CEABRM O=C([O-])c1cccnc1C[C@@H]1OC(=O)c2ccccc21 ZINC000001597671 304272070 /nfs/dbraw/zinc/27/20/70/304272070.db2.gz FTDDBWTWNUZWJG-ZDUSSCGKSA-N -1 0 269.256 2.234 40 0 CEABRM O=S(=O)([O-])[C@H](Nc1ccccn1)c1ccccc1 ZINC000001556341 169713420 /nfs/dbraw/zinc/71/34/20/169713420.db2.gz RRTIUYXQWBSRQB-LBPRGKRZSA-N -1 0 264.306 2.080 40 0 CEABRM O=C([O-])c1noc(-c2ccccc2C(F)(F)F)n1 ZINC000071790453 304285242 /nfs/dbraw/zinc/28/52/42/304285242.db2.gz ZHYBAGAOAXOMKQ-UHFFFAOYSA-N -1 0 258.155 2.454 40 0 CEABRM CC(C)(C)C(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000062702195 394569700 /nfs/dbraw/zinc/56/97/00/394569700.db2.gz QFCDXYMOZLKKIE-LBPRGKRZSA-N -1 0 263.337 2.407 40 0 CEABRM O=C([O-])c1nnsc1COc1ccc(Cl)cc1 ZINC000072221241 394594393 /nfs/dbraw/zinc/59/43/93/394594393.db2.gz AKADRLOZLXJWIX-UHFFFAOYSA-N -1 0 270.697 2.469 40 0 CEABRM COCCOc1cc(C(=O)[O-])sc1Br ZINC000096510792 394694034 /nfs/dbraw/zinc/69/40/34/394694034.db2.gz VUTVJYFEZBTDPE-UHFFFAOYSA-N -1 0 281.127 2.234 40 0 CEABRM O=C([O-])c1n[nH]c(OCc2ccccc2)c1Br ZINC000096510772 394694318 /nfs/dbraw/zinc/69/43/18/394694318.db2.gz NBDCBHCJXSJRJQ-UHFFFAOYSA-N -1 0 297.108 2.449 40 0 CEABRM CC(C)Oc1cccc(C2=NO[C@](C)(C(=O)[O-])C2)c1 ZINC000096525945 394697193 /nfs/dbraw/zinc/69/71/93/394697193.db2.gz BSZFZDHNUYBYNL-AWEZNQCLSA-N -1 0 263.293 2.442 40 0 CEABRM O=C([O-])c1cc(C(F)(F)F)nn1Cc1ccccn1 ZINC000255188096 400316908 /nfs/dbraw/zinc/31/69/08/400316908.db2.gz IOGLBDVNCWUKBN-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM C[C@@H]1CC[C@H]2C(C(=O)[O-])=C[C@H]3[C@@H](O)C(C)(C)C[C@@]123 ZINC000035465669 296748066 /nfs/dbraw/zinc/74/80/66/296748066.db2.gz WBLTVUMJMJIOGQ-JJKIJVRYSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM CNC(=O)C[C@H](C(=O)[O-])c1ccc(OCC(C)C)cc1 ZINC000004411521 169965933 /nfs/dbraw/zinc/96/59/33/169965933.db2.gz XQESYXHSGQLCNC-ZDUSSCGKSA-N -1 0 279.336 2.026 40 0 CEABRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000005273598 170081618 /nfs/dbraw/zinc/08/16/18/170081618.db2.gz LIIPHJDKZNTNII-OAHLLOKOSA-N -1 0 283.327 2.041 40 0 CEABRM CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000005842699 170145945 /nfs/dbraw/zinc/14/59/45/170145945.db2.gz OWYHAIXRKLWMQL-UHFFFAOYSA-N -1 0 280.349 2.244 40 0 CEABRM CC[C@@H](C)OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005953899 170161541 /nfs/dbraw/zinc/16/15/41/170161541.db2.gz XMYSYENHFQMBIG-SNVBAGLBSA-N -1 0 271.338 2.208 40 0 CEABRM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]2CC[C@@H]1O2 ZINC000006700256 170228904 /nfs/dbraw/zinc/22/89/04/170228904.db2.gz GWKRNAXRMRFYKC-RHYQMDGZSA-N -1 0 295.722 2.157 40 0 CEABRM O=C([O-])CCNc1ccc(Br)cc1F ZINC000020133727 171021751 /nfs/dbraw/zinc/02/17/51/171021751.db2.gz JPVIHUZHDYBYDF-UHFFFAOYSA-N -1 0 262.078 2.475 40 0 CEABRM Cc1cc(NC(=O)c2ccco2)cc(C(=O)[O-])c1O ZINC000020139688 171026679 /nfs/dbraw/zinc/02/66/79/171026679.db2.gz XFUBAYUCPAJVQF-UHFFFAOYSA-N -1 0 261.233 2.244 40 0 CEABRM CC(C)[C@@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000035281445 172100002 /nfs/dbraw/zinc/10/00/02/172100002.db2.gz DVBFGRNIVMWRMB-OAHLLOKOSA-N -1 0 275.304 2.310 40 0 CEABRM Nc1cc(SCC(=O)[O-])nc(-c2ccc(F)cc2)n1 ZINC000049470011 175481747 /nfs/dbraw/zinc/48/17/47/175481747.db2.gz QHTPVJMIBJFZST-UHFFFAOYSA-N -1 0 279.296 2.042 40 0 CEABRM O=C([O-])[C@@H]1CCCN1C(=O)OCC(Cl)(Cl)Cl ZINC000071614659 176234176 /nfs/dbraw/zinc/23/41/76/176234176.db2.gz LNKPZNRZPGUAET-YFKPBYRVSA-N -1 0 290.530 2.042 40 0 CEABRM O=C([O-])c1cn(Cc2ccc(Br)cc2)cn1 ZINC000071631482 176236542 /nfs/dbraw/zinc/23/65/42/176236542.db2.gz AXNHMCUTAMWHPV-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM CC(C)c1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1 ZINC000005817481 278047246 /nfs/dbraw/zinc/04/72/46/278047246.db2.gz KEEKENASJOFDMR-KBPBESRZSA-N -1 0 285.347 2.221 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2ccccc2Cl)CC(=O)N1 ZINC000044563692 281656831 /nfs/dbraw/zinc/65/68/31/281656831.db2.gz DEFGMHFAGHHJJR-VIFPVBQESA-N -1 0 265.696 2.302 40 0 CEABRM O=C([O-])c1cnn(CCC(F)(F)F)c1Br ZINC000408717505 230409047 /nfs/dbraw/zinc/40/90/47/230409047.db2.gz DIOXVKGQGXTBOV-UHFFFAOYSA-N -1 0 287.035 2.296 40 0 CEABRM CCCn1nc(-c2cccs2)cc(C(=O)[O-])c1=O ZINC000082462156 178038396 /nfs/dbraw/zinc/03/83/96/178038396.db2.gz BAFMSLRLVQSYJP-UHFFFAOYSA-N -1 0 264.306 2.080 40 0 CEABRM C[C@@H](NC(=O)/C=C/c1cccc(Br)c1)C(=O)[O-] ZINC000033449396 361781406 /nfs/dbraw/zinc/78/14/06/361781406.db2.gz WRGZPWKGZXNGCU-HQZHTGGTSA-N -1 0 298.136 2.052 40 0 CEABRM Cc1ccccc1OCc1ncc(C(=O)[O-])c(C)n1 ZINC000049468423 362365055 /nfs/dbraw/zinc/36/50/55/362365055.db2.gz HOKMIRKXAZSLSO-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM O=C([O-])C1(CNC(=O)OCc2ccccc2)CCC1 ZINC000168392359 344480211 /nfs/dbraw/zinc/48/02/11/344480211.db2.gz SZFYUZHDKRXKTQ-UHFFFAOYSA-N -1 0 263.293 2.168 40 0 CEABRM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CC(F)(F)C1 ZINC000208725270 344529918 /nfs/dbraw/zinc/52/99/18/344529918.db2.gz AICPFFSPPXEEKL-LLVKDONJSA-N -1 0 299.273 2.365 40 0 CEABRM Cc1ccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)cc1C ZINC000256047302 344646895 /nfs/dbraw/zinc/64/68/95/344646895.db2.gz LTJWUXOYHWCZLA-UHFFFAOYSA-N -1 0 286.335 2.183 40 0 CEABRM Cc1cc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)ccc1Cl ZINC000058038239 362606579 /nfs/dbraw/zinc/60/65/79/362606579.db2.gz OCMFUTSPEGMWBW-UHFFFAOYSA-N -1 0 294.694 2.009 40 0 CEABRM CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CC(=O)[O-])C2 ZINC000085398901 179051045 /nfs/dbraw/zinc/05/10/45/179051045.db2.gz QQTJORZXFODPRZ-WDEREUQCSA-N -1 0 275.142 2.374 40 0 CEABRM Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000065336234 362808564 /nfs/dbraw/zinc/80/85/64/362808564.db2.gz YHQOIAWXAVZVEQ-UHFFFAOYSA-N -1 0 297.358 2.294 40 0 CEABRM O=C([O-])[C@@H]1C[C@@H](F)CCN1C(=O)OCc1ccccc1 ZINC000091303449 180130351 /nfs/dbraw/zinc/13/03/51/180130351.db2.gz OFKSKDKKCNWFIA-RYUDHWBXSA-N -1 0 281.283 2.210 40 0 CEABRM O=C([O-])c1nc(-c2cn(CC3CC3)cn2)n2ccccc12 ZINC000110066226 186283885 /nfs/dbraw/zinc/28/38/85/186283885.db2.gz LQRPBRKJVDNFEB-UHFFFAOYSA-N -1 0 282.303 2.306 40 0 CEABRM CCCOc1ccc(Br)nc1C(=O)[O-] ZINC000218313067 535255039 /nfs/dbraw/zinc/25/50/39/535255039.db2.gz FOJVNXKRYKEJFJ-UHFFFAOYSA-N -1 0 260.087 2.331 40 0 CEABRM CCOn1c(-c2ccc(F)cc2)nc(C)c1C(=O)[O-] ZINC000575410958 366281362 /nfs/dbraw/zinc/28/13/62/366281362.db2.gz QHLJNHWPHQQXKS-UHFFFAOYSA-N -1 0 264.256 2.144 40 0 CEABRM Cc1ccc(Cl)cc1N1N=C(C(=O)[O-])CC1=O ZINC000077435058 363547233 /nfs/dbraw/zinc/54/72/33/363547233.db2.gz QCPJFDOJSRLSEW-UHFFFAOYSA-N -1 0 252.657 2.238 40 0 CEABRM Cc1nn(-c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000080046352 363640816 /nfs/dbraw/zinc/64/08/16/363640816.db2.gz RRHZXUSSWNZKKM-UHFFFAOYSA-N -1 0 259.290 2.489 40 0 CEABRM CCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000002744802 361248100 /nfs/dbraw/zinc/24/81/00/361248100.db2.gz WEYSZECOQIHYCK-UHFFFAOYSA-N -1 0 287.341 2.040 40 0 CEABRM CCCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC ZINC000001655450 361215092 /nfs/dbraw/zinc/21/50/92/361215092.db2.gz KKFHKPQHKZHGEL-UHFFFAOYSA-N -1 0 285.365 2.405 40 0 CEABRM O=C([O-])c1ccc(NC(=O)Nc2nccs2)cc1 ZINC000002024474 361225907 /nfs/dbraw/zinc/22/59/07/361225907.db2.gz JBGKVDKEIBEZMT-UHFFFAOYSA-N -1 0 263.278 2.485 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000004222939 361306426 /nfs/dbraw/zinc/30/64/26/361306426.db2.gz BCVDNYNGCYPVGC-GHMZBOCLSA-N -1 0 292.335 2.117 40 0 CEABRM C[C@H]1c2ccccc2N=C2S[C@H](CC(=O)[O-])C(=O)N21 ZINC000006268488 361337052 /nfs/dbraw/zinc/33/70/52/361337052.db2.gz JHGGILBGFIXZMZ-OIBJUYFYSA-N -1 0 276.317 2.167 40 0 CEABRM CC(C)c1cc(CN2CCC(CC(=O)[O-])CC2)no1 ZINC000012398769 361382540 /nfs/dbraw/zinc/38/25/40/361382540.db2.gz BJJNVYBAGWWOAY-UHFFFAOYSA-N -1 0 266.341 2.485 40 0 CEABRM Cc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000013435088 361428106 /nfs/dbraw/zinc/42/81/06/361428106.db2.gz NUQBKKSLRNEBGK-HNNXBMFYSA-N -1 0 297.310 2.487 40 0 CEABRM O=C([O-])c1cccc(NC(=O)Cn2cnc3ccccc32)c1 ZINC000016545638 361490559 /nfs/dbraw/zinc/49/05/59/361490559.db2.gz BETBZKYPQYAXSV-UHFFFAOYSA-N -1 0 295.298 2.373 40 0 CEABRM Cc1nc(C2CC2)nc(N2CCC(C(=O)[O-])CC2)c1C ZINC000096516935 364425314 /nfs/dbraw/zinc/42/53/14/364425314.db2.gz FVRMLDBYNBJNNK-UHFFFAOYSA-N -1 0 275.352 2.272 40 0 CEABRM CCCN(CC(=O)[O-])c1cc(OC)ccc1OC ZINC000225000994 189743294 /nfs/dbraw/zinc/74/32/94/189743294.db2.gz AOOUWFURVOQADP-UHFFFAOYSA-N -1 0 253.298 2.005 40 0 CEABRM O=C([O-])[C@@H]1COc2cccc(Br)c2C1 ZINC000090693683 304136603 /nfs/dbraw/zinc/13/66/03/304136603.db2.gz QNWFRNVPPKGIBY-LURJTMIESA-N -1 0 257.083 2.085 40 0 CEABRM CC(C)Oc1ccc(Br)nc1C(=O)[O-] ZINC000218312746 370208903 /nfs/dbraw/zinc/20/89/03/370208903.db2.gz OSHAYXZZABJVQZ-UHFFFAOYSA-N -1 0 260.087 2.330 40 0 CEABRM Cc1ccccc1-c1nc(SCCC(=O)[O-])n[nH]1 ZINC000224979457 370283909 /nfs/dbraw/zinc/28/39/09/370283909.db2.gz VBWPSJACQUAJCZ-UHFFFAOYSA-N -1 0 263.322 2.347 40 0 CEABRM C[C@H](C(=O)[O-])N(C)c1ccc(Br)cc1 ZINC000224989773 370284009 /nfs/dbraw/zinc/28/40/09/370284009.db2.gz MZQPWTOAKVLRRD-SSDOTTSWSA-N -1 0 258.115 2.358 40 0 CEABRM COCCCNC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000225155073 370287161 /nfs/dbraw/zinc/28/71/61/370287161.db2.gz RNCMLTQTLXODCH-UHFFFAOYSA-N -1 0 282.365 2.016 40 0 CEABRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1F ZINC000253402920 371516765 /nfs/dbraw/zinc/51/67/65/371516765.db2.gz OZKYRCSULSWYHP-UHFFFAOYSA-N -1 0 297.355 2.460 40 0 CEABRM C[C@@H](CN(C)c1ccnc(C(F)(F)F)c1)C(=O)[O-] ZINC000261565137 371650188 /nfs/dbraw/zinc/65/01/88/371650188.db2.gz HQDYALHTCAJFOL-ZETCQYMHSA-N -1 0 262.231 2.257 40 0 CEABRM O=C([O-])[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 ZINC000020594144 304174948 /nfs/dbraw/zinc/17/49/48/304174948.db2.gz UYCWRKRHUGMJDH-SECBINFHSA-N -1 0 259.183 2.283 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000003634319 304211061 /nfs/dbraw/zinc/21/10/61/304211061.db2.gz TYAYPIWADLHQNF-VRKREXBASA-N -1 0 297.354 2.094 40 0 CEABRM COc1cccc(C(=O)c2ccncc2C(=O)[O-])c1OC ZINC000001557422 169713582 /nfs/dbraw/zinc/71/35/82/169713582.db2.gz VLRYSVUYZHNGBJ-UHFFFAOYSA-N -1 0 287.271 2.028 40 0 CEABRM O=C([O-])c1cc(C(F)(F)F)nn1Cc1cccnc1 ZINC000255190654 394579588 /nfs/dbraw/zinc/57/95/88/394579588.db2.gz YPHQZDPSAJMGIH-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM O=C([O-])c1cnc2c(c1)CN(Cc1ccccc1)CC2 ZINC000095097385 394672416 /nfs/dbraw/zinc/67/24/16/394672416.db2.gz KVLWFRBSGUWIDN-UHFFFAOYSA-N -1 0 268.316 2.338 40 0 CEABRM CCC(=C([O-])c1ccccc1C)S(=O)(=O)CC ZINC000096518088 394694864 /nfs/dbraw/zinc/69/48/64/394694864.db2.gz NAPSCTYROUMNJP-GFCCVEGCSA-N -1 0 254.351 2.391 40 0 CEABRM COC1CCN(C(=O)CC2(CC(=O)[O-])CCCCC2)CC1 ZINC000037652430 400117329 /nfs/dbraw/zinc/11/73/29/400117329.db2.gz LVZJCEFGHWDOPN-UHFFFAOYSA-N -1 0 297.395 2.439 40 0 CEABRM CC(C)[C@H]1CC[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000242649311 400315516 /nfs/dbraw/zinc/31/55/16/400315516.db2.gz SAOZGDGRXDWELD-NOZJJQNGSA-N -1 0 257.330 2.401 40 0 CEABRM O=c1[n-]c(-c2ccccn2)ncc1Br ZINC000084198869 296593551 /nfs/dbraw/zinc/59/35/51/296593551.db2.gz AYYXGPNWDWOGFU-UHFFFAOYSA-N -1 0 252.071 2.007 40 0 CEABRM CC(C)CCCC[C@@H](C)Cc1c([O-])[nH]c(=O)[nH]c1=O ZINC000005962577 170163737 /nfs/dbraw/zinc/16/37/37/170163737.db2.gz AZLYAPHUOVQOPX-SNVBAGLBSA-N -1 0 268.357 2.211 40 0 CEABRM COc1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000006741625 170237428 /nfs/dbraw/zinc/23/74/28/170237428.db2.gz GCEVELMOSDKRLW-QOBDMFJFSA-N -1 0 289.331 2.381 40 0 CEABRM O=C([O-])c1ccc(NC(=O)c2cccnc2Cl)cc1O ZINC000008051444 170316731 /nfs/dbraw/zinc/31/67/31/170316731.db2.gz KHSSBUOGIYGTNW-UHFFFAOYSA-N -1 0 292.678 2.391 40 0 CEABRM CCOc1ccc(OCc2n[n-]c(=S)o2)cc1 ZINC000009286960 170370254 /nfs/dbraw/zinc/37/02/54/170370254.db2.gz OIFVVDKTQNGCNO-UHFFFAOYSA-N -1 0 252.295 2.336 40 0 CEABRM COc1ccc(Cc2ncc(C(=O)[O-])c(C)n2)cc1OC ZINC000043557957 175065178 /nfs/dbraw/zinc/06/51/78/175065178.db2.gz OYVDDZFHTZMPSF-UHFFFAOYSA-N -1 0 288.303 2.091 40 0 CEABRM CC(C)(C)OC(=O)C[C@@]1(C)N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000001707399 278376762 /nfs/dbraw/zinc/37/67/62/278376762.db2.gz UDRAPPYUWMHIHM-ZANVPECISA-N -1 0 289.397 2.003 40 0 CEABRM CC(C)(C)OC(=O)N1CC(F)(F)CC[C@@H]1C(=O)[O-] ZINC000095933267 278379003 /nfs/dbraw/zinc/37/90/03/278379003.db2.gz LOIFBZRYZNAAAU-SSDOTTSWSA-N -1 0 265.256 2.106 40 0 CEABRM CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)[O-])O2)CC1 ZINC000091303346 278384232 /nfs/dbraw/zinc/38/42/32/278384232.db2.gz RGBNXKRQHVDSGM-JTQLQIEISA-N -1 0 285.340 2.020 40 0 CEABRM CCn1c2noc(=O)c-2c([O-])c2cc(F)c(Cl)cc21 ZINC000100006818 288690500 /nfs/dbraw/zinc/69/05/00/288690500.db2.gz HXWWNIUEVOHPKT-UHFFFAOYSA-N -1 0 282.658 2.248 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466577 522105975 /nfs/dbraw/zinc/10/59/75/522105975.db2.gz LBTSSENZJINNDI-MPKXVKKWSA-N -1 0 261.321 2.459 40 0 CEABRM COc1ccc(C)cc1-n1nc(C)c(CC(=O)[O-])c1C ZINC000057570416 523799082 /nfs/dbraw/zinc/79/90/82/523799082.db2.gz MKYNVCNFBBASFQ-UHFFFAOYSA-N -1 0 274.320 2.433 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2ccc(Br)cc21 ZINC000062718821 527603814 /nfs/dbraw/zinc/60/38/14/527603814.db2.gz YREHQFJYOZVTGU-UHFFFAOYSA-N -1 0 296.120 2.239 40 0 CEABRM CCOC(=O)CCC(C(C)=O)=C([O-])c1ccccc1 ZINC000036468692 361847235 /nfs/dbraw/zinc/84/72/35/361847235.db2.gz NVAYHJZJDIRYSJ-ZDUSSCGKSA-N -1 0 262.305 2.418 40 0 CEABRM O=C([O-])[C@H](CC1CC1)NC(=O)OCc1ccccc1 ZINC000069554038 343788744 /nfs/dbraw/zinc/78/87/44/343788744.db2.gz NCRLSXDXLQPBEU-LBPRGKRZSA-N -1 0 263.293 2.166 40 0 CEABRM CCCNc1nn(-c2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000256045848 344647039 /nfs/dbraw/zinc/64/70/39/344647039.db2.gz BHTMXUXAVJAXJL-UHFFFAOYSA-N -1 0 274.324 2.404 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)[C@@H](c2ccccc2OC(F)F)C1 ZINC000057328298 362577975 /nfs/dbraw/zinc/57/79/75/362577975.db2.gz LYWKYIFGEGQUSN-IONNQARKSA-N -1 0 270.231 2.435 40 0 CEABRM COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1Cl ZINC000085393373 179048335 /nfs/dbraw/zinc/04/83/35/179048335.db2.gz KKRFAEDYDKXRIR-RDDDGLTNSA-N -1 0 270.668 2.037 40 0 CEABRM Cc1cc2sc(N3CC(C(=O)[O-])C3)nc2c(C)c1 ZINC000061957925 362700618 /nfs/dbraw/zinc/70/06/18/362700618.db2.gz KSSQGHJHNKQWNP-UHFFFAOYSA-N -1 0 262.334 2.434 40 0 CEABRM Cc1ccc(NC(=O)CSCC(=O)[O-])cc1C ZINC000000420793 361172753 /nfs/dbraw/zinc/17/27/53/361172753.db2.gz PUFZPTYMIKIBMZ-UHFFFAOYSA-N -1 0 253.323 2.060 40 0 CEABRM C=Cc1ccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001580638 361210046 /nfs/dbraw/zinc/21/00/46/361210046.db2.gz PCRYZCYWMLQANZ-JTQLQIEISA-N -1 0 276.317 2.010 40 0 CEABRM O=C([O-])/C=C/c1ccc(O)c(I)c1 ZINC000002524651 361237654 /nfs/dbraw/zinc/23/76/54/361237654.db2.gz OVOMXZCAFFMPCR-DUXPYHPUSA-N -1 0 290.056 2.095 40 0 CEABRM CN1C(=O)[C@H]2CC=CC[C@]2(C(=O)[O-])[C@H]1c1ccccc1 ZINC000004759705 361329010 /nfs/dbraw/zinc/32/90/10/361329010.db2.gz SKNILECKEROAPM-XJKCOSOUSA-N -1 0 271.316 2.237 40 0 CEABRM Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1C ZINC000013119494 361419953 /nfs/dbraw/zinc/41/99/53/361419953.db2.gz WMOZYZPOGVOBEI-CRWXNKLISA-N -1 0 289.331 2.120 40 0 CEABRM Cc1ccc(-c2c(CC(=O)[O-])sc3ncnn32)cc1 ZINC000095095779 364339209 /nfs/dbraw/zinc/33/92/09/364339209.db2.gz OQNQDFVRJHOKCA-UHFFFAOYSA-N -1 0 273.317 2.393 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000101291370 364555892 /nfs/dbraw/zinc/55/58/92/364555892.db2.gz IFJRKZCHMSSLGN-DGFSRKRXSA-N -1 0 291.347 2.468 40 0 CEABRM COc1ccccc1C([O-])=C1N=C(c2ccccc2)OC1=O ZINC000104089026 364675317 /nfs/dbraw/zinc/67/53/17/364675317.db2.gz KWIVEAYJXCXFMG-CQSZACIVSA-N -1 0 295.294 2.250 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000219628815 304155393 /nfs/dbraw/zinc/15/53/93/304155393.db2.gz BMMLNQKDAJPMDU-HYRRULHTSA-N -1 0 293.269 2.426 40 0 CEABRM O=C([O-])C1=CCCCN1C(=O)OCc1ccccc1 ZINC000217466602 370196276 /nfs/dbraw/zinc/19/62/76/370196276.db2.gz YELOCYSSDKUWDP-UHFFFAOYSA-N -1 0 261.277 2.388 40 0 CEABRM CC(=O)Nc1ccc(Cc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000225008272 370283977 /nfs/dbraw/zinc/28/39/77/370283977.db2.gz XMXGHVKPNVGEFZ-UHFFFAOYSA-N -1 0 285.303 2.032 40 0 CEABRM CC[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)[O-] ZINC000224975230 370284136 /nfs/dbraw/zinc/28/41/36/370284136.db2.gz QTPKGPRWKDVODS-LURJTMIESA-N -1 0 269.351 2.489 40 0 CEABRM CC[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)[O-] ZINC000224975189 370284389 /nfs/dbraw/zinc/28/43/89/370284389.db2.gz QTPKGPRWKDVODS-ZCFIWIBFSA-N -1 0 269.351 2.489 40 0 CEABRM CC(C)(Nc1cccnc1Br)C(=O)[O-] ZINC000225738200 370314696 /nfs/dbraw/zinc/31/46/96/370314696.db2.gz WYFQQCAHMPBALD-UHFFFAOYSA-N -1 0 259.103 2.119 40 0 CEABRM Cc1cc(C(=O)[O-])c(=O)n(Cc2c(F)cccc2Cl)n1 ZINC000225961530 370325865 /nfs/dbraw/zinc/32/58/65/370325865.db2.gz DBQMBFLRIWUQRN-UHFFFAOYSA-N -1 0 296.685 2.091 40 0 CEABRM O=C([O-])[C@@H]1[C@H](c2ccccc2)c2ccccc2[C@H](O)[C@@H]1CO ZINC000004783064 304160162 /nfs/dbraw/zinc/16/01/62/304160162.db2.gz RAESRZQFJCRAIX-NCOADZHNSA-N -1 0 298.338 2.175 40 0 CEABRM C[C@H](C(=O)[O-])n1ncc(Br)c1C(F)F ZINC000408717096 375515898 /nfs/dbraw/zinc/51/58/98/375515898.db2.gz VTILQZNTYHQCJJ-GSVOUGTGSA-N -1 0 269.045 2.229 40 0 CEABRM CCc1nccn1Cc1cnn(-c2ccccc2C(=O)[O-])c1 ZINC000257236414 190017781 /nfs/dbraw/zinc/01/77/81/190017781.db2.gz HCAYGWOUZWIOAM-UHFFFAOYSA-N -1 0 296.330 2.378 40 0 CEABRM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC1 ZINC000261508887 190040799 /nfs/dbraw/zinc/04/07/99/190040799.db2.gz XYYQNPXNASISRS-SNVBAGLBSA-N -1 0 270.126 2.281 40 0 CEABRM O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)c1 ZINC000004305278 304260897 /nfs/dbraw/zinc/26/08/97/304260897.db2.gz BMDLTEZWROCHSR-DJBIQUGXSA-N -1 0 297.310 2.086 40 0 CEABRM O=C([O-])c1cccnc1C[C@H]1OC(=O)c2ccccc21 ZINC000005733839 304272255 /nfs/dbraw/zinc/27/22/55/304272255.db2.gz FTDDBWTWNUZWJG-CYBMUJFWSA-N -1 0 269.256 2.234 40 0 CEABRM O=C([O-])c1conc1[C@@H](O)c1ccc(Br)cc1 ZINC000504623817 304281863 /nfs/dbraw/zinc/28/18/63/304281863.db2.gz BCQPHWGGMUYPEY-JTQLQIEISA-N -1 0 298.092 2.217 40 0 CEABRM CC(C)CN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21 ZINC000218786061 394456842 /nfs/dbraw/zinc/45/68/42/394456842.db2.gz SHGJRVYHKMXCQD-UHFFFAOYSA-N -1 0 291.347 2.475 40 0 CEABRM Cc1c(F)cccc1-c1nnc(SCC(=O)[O-])n1C ZINC000228928431 394477196 /nfs/dbraw/zinc/47/71/96/394477196.db2.gz ADYXQTLGDBGCNE-UHFFFAOYSA-N -1 0 281.312 2.106 40 0 CEABRM Cc1noc(C)c1Cc1c(C(=O)[O-])n[nH]c1C(C)C ZINC000072220418 394594294 /nfs/dbraw/zinc/59/42/94/394594294.db2.gz PIIKBXUCYATUDC-UHFFFAOYSA-N -1 0 263.297 2.427 40 0 CEABRM CO[C@@H](C(=O)[O-])c1cc(Br)cs1 ZINC000072417697 394598195 /nfs/dbraw/zinc/59/81/95/394598195.db2.gz DWWDRLKRKNWXDD-ZCFIWIBFSA-N -1 0 251.101 2.283 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@@H](c1cccc(F)c1)C2 ZINC000096530381 394698437 /nfs/dbraw/zinc/69/84/37/394698437.db2.gz DMAJZORHQLDCFD-LLVKDONJSA-N -1 0 275.283 2.450 40 0 CEABRM CCN(CC)c1ncc(C(=O)[O-])cc1Br ZINC000217241750 400307071 /nfs/dbraw/zinc/30/70/71/400307071.db2.gz YLRMODWRCXOZTM-UHFFFAOYSA-N -1 0 273.130 2.389 40 0 CEABRM C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC000005042864 170059679 /nfs/dbraw/zinc/05/96/79/170059679.db2.gz RMJUOPYCKBQBNI-SSDOTTSWSA-N -1 0 250.279 2.302 40 0 CEABRM Cc1cccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000005795960 170141046 /nfs/dbraw/zinc/14/10/46/170141046.db2.gz ZOPUDGCNOGEQGY-UHFFFAOYSA-N -1 0 276.317 2.331 40 0 CEABRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000006457638 170203117 /nfs/dbraw/zinc/20/31/17/170203117.db2.gz MHQQVHKXHPVTFS-UHFFFAOYSA-N -1 0 287.271 2.351 40 0 CEABRM CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000019392614 170782087 /nfs/dbraw/zinc/78/20/87/170782087.db2.gz DVAFPMXSECRDKJ-CYBMUJFWSA-N -1 0 277.320 2.165 40 0 CEABRM CC(C)OC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 ZINC000020134205 171021900 /nfs/dbraw/zinc/02/19/00/171021900.db2.gz TZYNQCAAZSYGLM-VMPITWQZSA-N -1 0 264.277 2.115 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)[O-])C1 ZINC000071244354 176095158 /nfs/dbraw/zinc/09/51/58/176095158.db2.gz UZJNJAMJSKLINB-VQCYPWCPSA-N -1 0 255.314 2.274 40 0 CEABRM O=C([O-])[C@@H]1CC[C@@H](c2nc3ccccc3c(=O)[nH]2)S1 ZINC000256055053 419470185 /nfs/dbraw/zinc/47/01/85/419470185.db2.gz YXWWBLAOLZKHRL-UWVGGRQHSA-N -1 0 276.317 2.357 40 0 CEABRM CC(=O)Nc1c2c(cccc2Cl)n(C)c1C(=O)[O-] ZINC000006857000 278184496 /nfs/dbraw/zinc/18/44/96/278184496.db2.gz GAJKGFONUWGKAH-UHFFFAOYSA-N -1 0 266.684 2.488 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)C2C(=O)[O-] ZINC000091303625 278415953 /nfs/dbraw/zinc/41/59/53/278415953.db2.gz VWIXGZCJQXOWMF-ZACCUICWSA-N -1 0 269.341 2.354 40 0 CEABRM O=c1c(Br)n[n-]c2cccc(Cl)c12 ZINC000225741351 280389876 /nfs/dbraw/zinc/38/98/76/280389876.db2.gz MDWFDMBJJCLWNM-UHFFFAOYSA-N -1 0 259.490 2.339 40 0 CEABRM C[C@@H](C(=O)[O-])c1ccccc1I ZINC000114309380 327295271 /nfs/dbraw/zinc/29/52/71/327295271.db2.gz OFUOBAZZBYMDPG-ZCFIWIBFSA-N -1 0 276.073 2.479 40 0 CEABRM C[N@H+]1C[C@@H](c2c(F)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000217665676 333122606 /nfs/dbraw/zinc/12/26/06/333122606.db2.gz IJRCMOOWXNKTGJ-HTQZYQBOSA-N -1 0 257.692 2.209 40 0 CEABRM CC(C)C[C@@H](Oc1nn(C)c2ccccc12)C(=O)[O-] ZINC000225770787 528361479 /nfs/dbraw/zinc/36/14/79/528361479.db2.gz CCORAKFAQKRQON-GFCCVEGCSA-N -1 0 262.309 2.451 40 0 CEABRM CCO/C(=C\c1cccc(OC)c1O)c1n[n-]c(=N)s1 ZINC000408718406 528450720 /nfs/dbraw/zinc/45/07/20/528450720.db2.gz MGGQDHMSZFCTTB-YFHOEESVSA-N -1 0 293.348 2.199 40 0 CEABRM O=C([O-])C1=NN(c2cccc(Br)c2)C(=O)C1 ZINC000042411253 362091523 /nfs/dbraw/zinc/09/15/23/362091523.db2.gz TXZXLGZKLBHDOI-UHFFFAOYSA-N -1 0 283.081 2.039 40 0 CEABRM COc1ccc(Cl)cc1[C@H]1NC[C@H](C(=O)[O-])S1 ZINC000005558965 343354714 /nfs/dbraw/zinc/35/47/14/343354714.db2.gz HCLGERQWCBMYNR-ZJUUUORDSA-N -1 0 273.741 2.137 40 0 CEABRM C[C@H]1[C@H](CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000095726785 344237493 /nfs/dbraw/zinc/23/74/93/344237493.db2.gz JRYHLFUVYYTHKY-UWVGGRQHSA-N -1 0 257.330 2.497 40 0 CEABRM O=S(=O)([O-])c1ccc2c(c1)[nH]c1cc(O)ccc12 ZINC000144635775 344408306 /nfs/dbraw/zinc/40/83/06/344408306.db2.gz XVPLYICZRNIHEI-UHFFFAOYSA-N -1 0 263.274 2.273 40 0 CEABRM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])[C@@H]1C2 ZINC000225505441 344546175 /nfs/dbraw/zinc/54/61/75/344546175.db2.gz MGNFVKFCNXYOMU-RGOKHQFPSA-N -1 0 255.314 2.010 40 0 CEABRM CC(C)(C)OC(=O)N1CCc2cc(C(=O)[O-])cnc2C1 ZINC000051943601 362452331 /nfs/dbraw/zinc/45/23/31/362452331.db2.gz BOVSVMCJRLZPAW-UHFFFAOYSA-N -1 0 278.308 2.073 40 0 CEABRM C[Si]1(C)C[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000584905831 345005217 /nfs/dbraw/zinc/00/52/17/345005217.db2.gz HQGNBIUFYSPCQM-LBPRGKRZSA-N -1 0 293.395 2.340 40 0 CEABRM CC(=O)Oc1c(Br)cc(C)cc1C(=O)[O-] ZINC000057339579 362578553 /nfs/dbraw/zinc/57/85/53/362578553.db2.gz RUFAWYLAHKGDQM-UHFFFAOYSA-N -1 0 273.082 2.381 40 0 CEABRM O=c1[n-]c(-c2ccccc2)ncc1I ZINC000085450011 179065109 /nfs/dbraw/zinc/06/51/09/179065109.db2.gz ZHAWFFYLHAUCGW-UHFFFAOYSA-N -1 0 298.083 2.042 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](COc1ccccc1)C(=O)[O-] ZINC000138346200 187903331 /nfs/dbraw/zinc/90/33/31/187903331.db2.gz GLJIBFIPECEVPM-NSHDSACASA-N -1 0 281.308 2.043 40 0 CEABRM O=C([O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000040165826 304088913 /nfs/dbraw/zinc/08/89/13/304088913.db2.gz XOCFQRIQPOOZBN-UHFFFAOYSA-N -1 0 287.109 2.238 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1c(F)cccc1Cl ZINC000085393296 304098212 /nfs/dbraw/zinc/09/82/12/304098212.db2.gz FUQDJZQLAGHPHE-FWOIEVBISA-N -1 0 258.632 2.168 40 0 CEABRM CC[C@@]1(C)O[C@@]1(CC(=O)[O-])N(C=O)c1ccc(OC)cc1 ZINC000299754722 200860669 /nfs/dbraw/zinc/86/06/69/200860669.db2.gz LXQDODMHJVUQCN-HUUCEWRRSA-N -1 0 293.319 2.028 40 0 CEABRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000002006034 361224531 /nfs/dbraw/zinc/22/45/31/361224531.db2.gz CUYDUAXYJJPSRK-UHFFFAOYSA-N -1 0 296.270 2.215 40 0 CEABRM CC(C)(C)OC(=O)N=C(N)Cc1cccc(C(=O)[O-])c1 ZINC000002599204 361242609 /nfs/dbraw/zinc/24/26/09/361242609.db2.gz FJNKHAYRXWMQLZ-UHFFFAOYSA-N -1 0 278.308 2.429 40 0 CEABRM CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)NCc2cccnc2)C1 ZINC000004165123 361302707 /nfs/dbraw/zinc/30/27/07/361302707.db2.gz BWUMIDKCCNRFQN-MRVWCRGKSA-N -1 0 288.347 2.001 40 0 CEABRM O=c1c2c(O)cc([O-])cc2oc2c1-c1ccccc1O[C@H]2O ZINC000013404427 361426519 /nfs/dbraw/zinc/42/65/19/361426519.db2.gz HMCJSHNAURZDNI-MRXNPFEDSA-N -1 0 298.250 2.255 40 0 CEABRM CC(C)(C)OC(=O)c1nn(-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000015444287 361473484 /nfs/dbraw/zinc/47/34/84/361473484.db2.gz OPCJJDVMTPWZQL-UHFFFAOYSA-N -1 0 295.726 2.169 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2ccccc2F)c1=O ZINC000016769722 361497997 /nfs/dbraw/zinc/49/79/97/361497997.db2.gz YYVGUYVLKFAAHG-UHFFFAOYSA-N -1 0 261.252 2.193 40 0 CEABRM [O-]c1c(Cl)cc(CN2CCOCC2)c2cccnc12 ZINC000019626748 361545592 /nfs/dbraw/zinc/54/55/92/361545592.db2.gz YKFTZWLZSNVQJQ-UHFFFAOYSA-N -1 0 278.739 2.426 40 0 CEABRM CCNC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000216928107 370192349 /nfs/dbraw/zinc/19/23/49/370192349.db2.gz RHNUBQJBFZYLFJ-UHFFFAOYSA-N -1 0 258.730 2.345 40 0 CEABRM CCCO[C@H](Cc1ccc(OC)cc1OC)C(=O)[O-] ZINC000225113821 370285445 /nfs/dbraw/zinc/28/54/45/370285445.db2.gz ABETWDSHLNNBEK-CYBMUJFWSA-N -1 0 268.309 2.126 40 0 CEABRM O=C([O-])c1c[nH]nc1COc1ccc(Cl)cc1 ZINC000071980922 304275182 /nfs/dbraw/zinc/27/51/82/304275182.db2.gz PSWONPBMXQHSPV-UHFFFAOYSA-N -1 0 252.657 2.340 40 0 CEABRM CC(C)Oc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)cc1 ZINC000096525923 256731125 /nfs/dbraw/zinc/73/11/25/256731125.db2.gz ZRMWDAIRYQXNTJ-AWEZNQCLSA-N -1 0 263.293 2.442 40 0 CEABRM C=CC(=O)N[C@H](C(=O)[O-])C(C)(C)SCc1ccccc1 ZINC000001593811 169721495 /nfs/dbraw/zinc/72/14/95/169721495.db2.gz QMRAIPSDXFOOOM-CYBMUJFWSA-N -1 0 293.388 2.454 40 0 CEABRM O=C([O-])c1nc(-c2cnc3ccccc3n2)cs1 ZINC000008382131 304283115 /nfs/dbraw/zinc/28/31/15/304283115.db2.gz VUYQHUWYKZDTBE-UHFFFAOYSA-N -1 0 257.274 2.452 40 0 CEABRM COc1nn(C)c2ccc(S[C@H](C)C(=O)[O-])cc12 ZINC000225774291 533299347 /nfs/dbraw/zinc/29/93/47/533299347.db2.gz CZLRXNKVBNIANG-SSDOTTSWSA-N -1 0 266.322 2.147 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N(CC2CC2)[C@@H]1c1ccccc1 ZINC000096515679 394694040 /nfs/dbraw/zinc/69/40/40/394694040.db2.gz NSBRIVDIZLWVHA-DZGCQCFKSA-N -1 0 273.332 2.461 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N(CC2CC2)[C@@H]1c1ccccc1 ZINC000096515677 394694121 /nfs/dbraw/zinc/69/41/21/394694121.db2.gz NSBRIVDIZLWVHA-UKRRQHHQSA-N -1 0 273.332 2.461 40 0 CEABRM CCN(CC)c1ncc(C(=O)[O-])c(-c2ccncc2)n1 ZINC000096517134 394694330 /nfs/dbraw/zinc/69/43/30/394694330.db2.gz WWBKBCVURWXCAR-UHFFFAOYSA-N -1 0 272.308 2.083 40 0 CEABRM O=C([O-])c1ccc(Cn2ccc3ccoc3c2=O)cc1 ZINC000096517474 394694966 /nfs/dbraw/zinc/69/49/66/394694966.db2.gz KPCRCGKIWCDRHB-UHFFFAOYSA-N -1 0 269.256 2.341 40 0 CEABRM COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)[O-])cc1 ZINC000004891527 170036970 /nfs/dbraw/zinc/03/69/70/170036970.db2.gz GZLQCTLGNXVLKQ-XFXZXTDPSA-N -1 0 287.271 2.144 40 0 CEABRM Cc1nnc(SCCC(=O)[O-])n1-c1ccccc1 ZINC000004922033 170041051 /nfs/dbraw/zinc/04/10/51/170041051.db2.gz KZHBUTYDZWVOGI-UHFFFAOYSA-N -1 0 263.322 2.143 40 0 CEABRM C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC000005042862 170059862 /nfs/dbraw/zinc/05/98/62/170059862.db2.gz RMJUOPYCKBQBNI-ZETCQYMHSA-N -1 0 250.279 2.302 40 0 CEABRM CC(C)C[C@@H](NC(=O)COc1ccccc1Cl)C(=O)[O-] ZINC000005454567 170100519 /nfs/dbraw/zinc/10/05/19/170100519.db2.gz METJAOPBLWNAAJ-LLVKDONJSA-N -1 0 299.754 2.334 40 0 CEABRM CC[C@H](C)OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005954040 170161534 /nfs/dbraw/zinc/16/15/34/170161534.db2.gz XMYSYENHFQMBIG-JTQLQIEISA-N -1 0 271.338 2.208 40 0 CEABRM C[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1 ZINC000006556232 170212864 /nfs/dbraw/zinc/21/28/64/170212864.db2.gz UFNCPBWXZSABQU-IKSZGEOFSA-N -1 0 285.343 2.387 40 0 CEABRM CCCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000006569703 170214072 /nfs/dbraw/zinc/21/40/72/170214072.db2.gz RLHOQVMNXJVZCI-UHFFFAOYSA-N -1 0 280.349 2.306 40 0 CEABRM O=S(=O)([O-])[C@@H](Nc1ccccn1)c1ccccc1 ZINC000006582122 170215676 /nfs/dbraw/zinc/21/56/76/170215676.db2.gz RRTIUYXQWBSRQB-GFCCVEGCSA-N -1 0 264.306 2.080 40 0 CEABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000006731079 170235649 /nfs/dbraw/zinc/23/56/49/170235649.db2.gz BGECMOWJZQPCEC-QPSCCSFWSA-N -1 0 287.359 2.092 40 0 CEABRM CCC[C@H](Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000008702820 170347484 /nfs/dbraw/zinc/34/74/84/170347484.db2.gz BEXHMQRBHSJCJE-NSHDSACASA-N -1 0 253.298 2.369 40 0 CEABRM COc1cccc(Nc2ncc(/C=C/C(=O)[O-])cn2)c1 ZINC000008702924 170347632 /nfs/dbraw/zinc/34/76/32/170347632.db2.gz NPRLVKSFSJJTPX-AATRIKPKSA-N -1 0 271.276 2.327 40 0 CEABRM O=C([O-])c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000013166415 170538058 /nfs/dbraw/zinc/53/80/58/170538058.db2.gz HATISHUOWKJCEW-UHFFFAOYSA-N -1 0 273.263 2.454 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1cccs1 ZINC000015746530 170676324 /nfs/dbraw/zinc/67/63/24/170676324.db2.gz RCASCYGHFPRADK-BSJXLVFVSA-N -1 0 279.361 2.111 40 0 CEABRM COc1ccc(C(=O)[O-])cc1NC(=O)CC(C)C ZINC000020136812 171024598 /nfs/dbraw/zinc/02/45/98/171024598.db2.gz BCYUXZATYCRYOF-UHFFFAOYSA-N -1 0 251.282 2.378 40 0 CEABRM O=C([O-])CC1CCN(C(=O)c2cccs2)CC1 ZINC000020479783 171221945 /nfs/dbraw/zinc/22/19/45/171221945.db2.gz GQSFSSZQPMWRAV-UHFFFAOYSA-N -1 0 253.323 2.075 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000022014469 171349282 /nfs/dbraw/zinc/34/92/82/171349282.db2.gz BMSUXJZKOGWPGP-JTQLQIEISA-N -1 0 269.272 2.476 40 0 CEABRM CC(C)(C)c1ccc(OCc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000040175851 174201612 /nfs/dbraw/zinc/20/16/12/174201612.db2.gz NPGCPWURMRQSFL-UHFFFAOYSA-N -1 0 289.335 2.308 40 0 CEABRM CC(C)c1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])cc1 ZINC000011727224 414746863 /nfs/dbraw/zinc/74/68/63/414746863.db2.gz MVYJWKBYGRPQTL-CYBMUJFWSA-N -1 0 261.321 2.386 40 0 CEABRM Cc1c(C(=O)[O-])cc2n(c1=O)Cc1cc3ccccc3nc1-2 ZINC000001729376 300947354 /nfs/dbraw/zinc/94/73/54/300947354.db2.gz XGIBTYXPRKINBT-UHFFFAOYSA-N -1 0 292.294 2.432 40 0 CEABRM O=C(NC1CCCCC1)C([O-])(C(F)(F)F)C(F)(F)F ZINC000169799677 627703416 /nfs/dbraw/zinc/70/34/16/627703416.db2.gz TVPPFYUDTIDVNR-UHFFFAOYSA-N -1 0 293.207 2.291 40 0 CEABRM CC(C)c1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000033439488 361779034 /nfs/dbraw/zinc/77/90/34/361779034.db2.gz VWRFIDKFQOAFIC-LAHYYIKRSA-N -1 0 261.321 2.413 40 0 CEABRM O=C([O-])c1c(O)cccc1CCc1cc(O)cc(O)c1 ZINC000035973525 361824708 /nfs/dbraw/zinc/82/47/08/361824708.db2.gz CZTBGRKXVDSLDP-UHFFFAOYSA-N -1 0 274.272 2.287 40 0 CEABRM Cc1cccc(NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000028210249 343396221 /nfs/dbraw/zinc/39/62/21/343396221.db2.gz FZBLPDLAUIZJKT-UHFFFAOYSA-N -1 0 279.299 2.484 40 0 CEABRM O=C([O-])CCCC1=c2cc(F)ccc2=N[C@@H]1c1ccccn1 ZINC000063234494 343675225 /nfs/dbraw/zinc/67/52/25/343675225.db2.gz RJTNHFBXXJWWEQ-KRWDZBQOSA-N -1 0 298.317 2.001 40 0 CEABRM C[C@H]1[C@@H](CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000095726790 344237444 /nfs/dbraw/zinc/23/74/44/344237444.db2.gz JRYHLFUVYYTHKY-VHSXEESVSA-N -1 0 257.330 2.497 40 0 CEABRM CCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000049466694 362363835 /nfs/dbraw/zinc/36/38/35/362363835.db2.gz NGDIRWAMOFFFGM-JSGCOSHPSA-N -1 0 277.320 2.079 40 0 CEABRM CSc1nc(N)cc(Nc2ccccc2C(=O)[O-])n1 ZINC000049467446 362364579 /nfs/dbraw/zinc/36/45/79/362364579.db2.gz SVIVLHJZTSVOFN-UHFFFAOYSA-N -1 0 276.321 2.223 40 0 CEABRM COc1ccc(CNC(=O)C(C)(C)C)c(C(=O)[O-])c1 ZINC000196188340 344524127 /nfs/dbraw/zinc/52/41/27/344524127.db2.gz RIGHYPCQUJZXOL-UHFFFAOYSA-N -1 0 265.309 2.056 40 0 CEABRM O=C([O-])c1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000050213162 362411055 /nfs/dbraw/zinc/41/10/55/362411055.db2.gz CANORVHFLMHJJI-UHFFFAOYSA-N -1 0 272.091 2.331 40 0 CEABRM CCCOc1cccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])c1 ZINC000085394592 179049334 /nfs/dbraw/zinc/04/93/34/179049334.db2.gz KZEHKEFRHLVQHV-DGCLKSJQSA-N -1 0 264.277 2.164 40 0 CEABRM COc1cc2c(=O)ccn(CCC(=O)[O-])c2cc1Cl ZINC000064874630 362796687 /nfs/dbraw/zinc/79/66/87/362796687.db2.gz FSAMLBAODADYSE-UHFFFAOYSA-N -1 0 281.695 2.138 40 0 CEABRM O=C([O-])c1c2nc[nH]c2cc(Br)c1F ZINC000604221819 347406566 /nfs/dbraw/zinc/40/65/66/347406566.db2.gz QGYZAXBPNNNBLV-UHFFFAOYSA-N -1 0 259.034 2.163 40 0 CEABRM O=C(/C=C\c1ccco1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013541374 540363499 /nfs/dbraw/zinc/36/34/99/540363499.db2.gz QSMRHXUZHXEHBK-CKXPSTMWSA-N -1 0 285.299 2.105 40 0 CEABRM CNc1nc([O-])c([C@@H](C)c2c[nH]c3ccccc32)s1 ZINC000001566817 361209241 /nfs/dbraw/zinc/20/92/41/361209241.db2.gz LNAVOACFLBACSL-QPUJVOFHSA-N -1 0 273.361 2.489 40 0 CEABRM CCS[C@@H]1CC(=O)N(c2cc(C(=O)[O-])ccc2C)C1=O ZINC000016899557 361498024 /nfs/dbraw/zinc/49/80/24/361498024.db2.gz CSQWXOUOTGOOHG-LLVKDONJSA-N -1 0 293.344 2.078 40 0 CEABRM CCc1c(C)[n-]n2c1nc(-c1ccccn1)cc2=O ZINC000019521792 361542256 /nfs/dbraw/zinc/54/22/56/361542256.db2.gz UXNPXCJEZWTESI-UHFFFAOYSA-N -1 0 254.293 2.368 40 0 CEABRM O=C([O-])c1ccc(Cn2c(=O)oc3ccccc32)cc1 ZINC000019402575 361531309 /nfs/dbraw/zinc/53/13/09/361531309.db2.gz DIMNNOTWQRXPQS-UHFFFAOYSA-N -1 0 269.256 2.341 40 0 CEABRM Nc1c(C(=O)[O-])cc(Br)c2cccnc12 ZINC000026439118 361640254 /nfs/dbraw/zinc/64/02/54/361640254.db2.gz GMZHBIASPILTOY-UHFFFAOYSA-N -1 0 267.082 2.278 40 0 CEABRM Cc1cc(=O)n2[n-]c([C@@H]3CCCN3C(=O)C(C)C)cc2n1 ZINC000100226099 364541739 /nfs/dbraw/zinc/54/17/39/364541739.db2.gz SNTVKVDOQZYGIO-LBPRGKRZSA-N -1 0 288.351 2.063 40 0 CEABRM O=C([O-])[C@@H]1C[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000116992932 365086288 /nfs/dbraw/zinc/08/62/88/365086288.db2.gz FFFCOGICKMRJSG-DTWKUNHWSA-N -1 0 269.094 2.353 40 0 CEABRM CCN(CCCC(=O)[O-])c1cc(OC)ccc1OC ZINC000225000836 370284652 /nfs/dbraw/zinc/28/46/52/370284652.db2.gz SNTLOAGVSFKDBY-UHFFFAOYSA-N -1 0 267.325 2.395 40 0 CEABRM O=C([O-])c1cccc(OCc2noc(C(F)(F)F)n2)c1 ZINC000226105922 370328829 /nfs/dbraw/zinc/32/88/29/370328829.db2.gz GSQOEUVRIVSSIU-UHFFFAOYSA-N -1 0 288.181 2.366 40 0 CEABRM O=C([O-])[C@@]1(NC(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000001591475 304164881 /nfs/dbraw/zinc/16/48/81/304164881.db2.gz HQCMVKMWULKIRR-WMLDXEAASA-N -1 0 281.311 2.427 40 0 in-vitro CEABRM CCCn1ccc(CNCc2ccccc2C(=O)[O-])n1 ZINC000256052617 190004108 /nfs/dbraw/zinc/00/41/08/190004108.db2.gz OBCLIFRMJJCGAW-UHFFFAOYSA-N -1 0 273.336 2.281 40 0 CEABRM O=C([O-])C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000072220589 256707677 /nfs/dbraw/zinc/70/76/77/256707677.db2.gz JQZVRVISOIOAJI-UHFFFAOYSA-N -1 0 273.244 2.187 40 0 CEABRM COc1cc(C(=O)[O-])n(-c2ccc(Cl)cc2)n1 ZINC000218292246 130767692 /nfs/dbraw/zinc/76/76/92/130767692.db2.gz MTFDPWJGVWIIRF-UHFFFAOYSA-N -1 0 252.657 2.233 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000020153999 394470492 /nfs/dbraw/zinc/47/04/92/394470492.db2.gz MZLRFYJQKMMWIS-NSHDSACASA-N -1 0 290.710 2.305 40 0 CEABRM CCCC[C@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O ZINC000035410889 394493789 /nfs/dbraw/zinc/49/37/89/394493789.db2.gz OQWIBSPEAMFVKG-LLVKDONJSA-N -1 0 281.352 2.339 40 0 CEABRM O=C([O-])c1cc(=O)oc2ccc(Br)cc21 ZINC000072220912 394594510 /nfs/dbraw/zinc/59/45/10/394594510.db2.gz WJLXOKTUFULTKJ-UHFFFAOYSA-N -1 0 269.050 2.254 40 0 CEABRM Cn1c(=O)cc(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000071596298 394588925 /nfs/dbraw/zinc/58/89/25/394588925.db2.gz DEFIKZNGZZMDGT-UHFFFAOYSA-N -1 0 263.680 2.404 40 0 CEABRM O=C([O-])[C@@H]1CCN(c2cc(-c3ccccc3)ncn2)C1 ZINC000096516859 394694212 /nfs/dbraw/zinc/69/42/12/394694212.db2.gz QWHIQRMKJDTAIU-GFCCVEGCSA-N -1 0 269.304 2.055 40 0 CEABRM O=C([O-])COc1cccc(COCC2CCC2)c1 ZINC000096525794 394697235 /nfs/dbraw/zinc/69/72/35/394697235.db2.gz UALYBGSBASCNCW-UHFFFAOYSA-N -1 0 250.294 2.467 40 0 CEABRM O=C([O-])c1cnn2c1N[C@H](c1cc(F)cc(F)c1)C2 ZINC000096530318 394698441 /nfs/dbraw/zinc/69/84/41/394698441.db2.gz BLQJMIADVKSFIA-JTQLQIEISA-N -1 0 265.219 2.026 40 0 CEABRM C[C@H](C(=O)[O-])n1cc(Br)c(C2CC2)n1 ZINC000002538719 169805861 /nfs/dbraw/zinc/80/58/61/169805861.db2.gz FXWZFYGYINSHLQ-RXMQYKEDSA-N -1 0 259.103 2.169 40 0 CEABRM O=C(c1ccccc1)n1[n-]c(-c2ccccc2)cc1=O ZINC000006344132 170194484 /nfs/dbraw/zinc/19/44/84/170194484.db2.gz RYLVXCZZIIOVSG-UHFFFAOYSA-N -1 0 264.284 2.463 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000006731387 170235613 /nfs/dbraw/zinc/23/56/13/170235613.db2.gz XUCHOVFTLZVJMH-RFGFWPKPSA-N -1 0 277.364 2.206 40 0 CEABRM Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1C ZINC000006742227 170238232 /nfs/dbraw/zinc/23/82/32/170238232.db2.gz WMOZYZPOGVOBEI-RQJABVFESA-N -1 0 289.331 2.120 40 0 CEABRM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)[O-] ZINC000008700620 170346576 /nfs/dbraw/zinc/34/65/76/170346576.db2.gz GJTJMPYIMIZXGZ-VXGBXAGGSA-N -1 0 295.335 2.006 40 0 CEABRM COc1ccc(-c2cnc(CCC(=O)[O-])o2)c(OC)c1 ZINC000019403025 170785833 /nfs/dbraw/zinc/78/58/33/170785833.db2.gz WZDFGWGRHLJKAE-UHFFFAOYSA-N -1 0 277.276 2.376 40 0 CEABRM CCN(CCC(=O)[O-])c1cc(OC)ccc1OC ZINC000020133845 171021673 /nfs/dbraw/zinc/02/16/73/171021673.db2.gz FIIJLBKNTFNZDX-UHFFFAOYSA-N -1 0 253.298 2.005 40 0 CEABRM CC(C)c1noc(-c2cccc(OCC(=O)[O-])c2)n1 ZINC000022119963 171353618 /nfs/dbraw/zinc/35/36/18/171353618.db2.gz LEZSZKAOEMUNSD-UHFFFAOYSA-N -1 0 262.265 2.323 40 0 CEABRM O=C([O-])/C=C/c1nc(C(F)(F)F)n2ccccc12 ZINC000035576661 172273893 /nfs/dbraw/zinc/27/38/93/172273893.db2.gz KLGCXETZNNUPSA-SNAWJCMRSA-N -1 0 256.183 2.451 40 0 CEABRM CCc1ccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000036635203 172642810 /nfs/dbraw/zinc/64/28/10/172642810.db2.gz UIOSGZQOUOJVMF-JTQLQIEISA-N -1 0 279.317 2.292 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)N(c2cc(-c3ccccc3)ccc2O)C1 ZINC000045953744 175389174 /nfs/dbraw/zinc/38/91/74/175389174.db2.gz SXEZFKGCVGRGIX-CYBMUJFWSA-N -1 0 297.310 2.497 40 0 CEABRM O=C([O-])c1cnc(/C=C/c2cnn3c2CCC3)s1 ZINC000656612923 415787400 /nfs/dbraw/zinc/78/74/00/415787400.db2.gz OSKYSVKEOAVWOL-ONEGZZNKSA-N -1 0 261.306 2.154 40 0 CEABRM CC(C)(C)OC(=O)N1CC(C)(C)C[C@@]1(C)C(=O)[O-] ZINC000204738758 419459161 /nfs/dbraw/zinc/45/91/61/419459161.db2.gz ZCXQZEQKNNNNPF-ZDUSSCGKSA-N -1 0 257.330 2.497 40 0 CEABRM O=C([O-])[C@H]1CC[C@@H](c2nc3ccccc3c(=O)[nH]2)S1 ZINC000256055054 419470540 /nfs/dbraw/zinc/47/05/40/419470540.db2.gz YXWWBLAOLZKHRL-VHSXEESVSA-N -1 0 276.317 2.357 40 0 CEABRM CC(C)(C)OC(=O)N1CC(C)(C)Cc2[n-][nH]c(=O)c21 ZINC000091303704 278378868 /nfs/dbraw/zinc/37/88/68/278378868.db2.gz ZFDPXTPNDZHDAE-UHFFFAOYSA-N -1 0 267.329 2.439 40 0 CEABRM O=C1[N-]C(=S)C(=C2OC(=O)c3ccccc32)S1 ZINC000032626627 280281211 /nfs/dbraw/zinc/28/12/11/280281211.db2.gz HPVNYUIAPBPIQG-FPLPWBNLSA-N -1 0 263.299 2.309 40 0 CEABRM Cn1c2cc(Br)ccc2c(C=O)c1C(=O)[O-] ZINC000008416990 302900467 /nfs/dbraw/zinc/90/04/67/302900467.db2.gz MMAITAJYCFPZAZ-UHFFFAOYSA-N -1 0 282.093 2.452 40 0 CEABRM COc1ccccc1CCCn1cccc(C(=O)[O-])c1=O ZINC000225791843 333182311 /nfs/dbraw/zinc/18/23/11/333182311.db2.gz PAMQVZJQGXJBRB-UHFFFAOYSA-N -1 0 287.315 2.188 40 0 CEABRM NC(=O)c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000685937302 570389201 /nfs/dbraw/zinc/38/92/01/570389201.db2.gz GOTSKPBNMVEOKS-UHFFFAOYSA-N -1 0 265.652 2.397 40 0 CEABRM CCCn1nc(-c2cccc(OC)c2)cc(C(=O)[O-])c1=O ZINC000082461821 178038363 /nfs/dbraw/zinc/03/83/63/178038363.db2.gz DKOJSMNOGPBDDS-UHFFFAOYSA-N -1 0 288.303 2.027 40 0 CEABRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1 ZINC000033665016 361783259 /nfs/dbraw/zinc/78/32/59/361783259.db2.gz LYGNWKCHLKLLNY-UHFFFAOYSA-N -1 0 290.344 2.310 40 0 CEABRM CCOc1ccccc1N1C(=O)S[C@H](CC(=O)[O-])C1=O ZINC000036635214 361849112 /nfs/dbraw/zinc/84/91/12/361849112.db2.gz VMSORZODYAZCRR-SNVBAGLBSA-N -1 0 295.316 2.128 40 0 CEABRM O=C([O-])CSCc1nnc(-c2cccs2)o1 ZINC000036965331 361874407 /nfs/dbraw/zinc/87/44/07/361874407.db2.gz MYAGGRVARTUAJP-UHFFFAOYSA-N -1 0 256.308 2.116 40 0 CEABRM O=C([O-])c1cnn2c1nccc2-c1ccccc1F ZINC000037579258 361906116 /nfs/dbraw/zinc/90/61/16/361906116.db2.gz PSGWMQLVCNNVAR-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM Cc1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)n1C ZINC000008051973 343360983 /nfs/dbraw/zinc/36/09/83/343360983.db2.gz VCJRSCJRWDAHOE-UHFFFAOYSA-N -1 0 288.303 2.298 40 0 CEABRM O=C([O-])Cn1cc(-c2cccc(Br)c2)cn1 ZINC000049877237 362381917 /nfs/dbraw/zinc/38/19/17/362381917.db2.gz YEJMDDKXQYNCMN-UHFFFAOYSA-N -1 0 281.109 2.397 40 0 CEABRM Cc1cccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c1C ZINC000256049362 344647337 /nfs/dbraw/zinc/64/73/37/344647337.db2.gz ZNPVEKPYSIKAJJ-UHFFFAOYSA-N -1 0 286.335 2.183 40 0 CEABRM O=C([O-])[C@H]1OCCc2c(Br)scc21 ZINC000307543146 344723394 /nfs/dbraw/zinc/72/33/94/344723394.db2.gz DXJUPPYJXVEQEY-LURJTMIESA-N -1 0 263.112 2.209 40 0 CEABRM Cc1c2cc(Cl)ccc2oc(=O)c1CC(=O)[O-] ZINC000409422495 344888113 /nfs/dbraw/zinc/88/81/13/344888113.db2.gz GYZVEZAEMPTRTN-UHFFFAOYSA-N -1 0 252.653 2.382 40 0 CEABRM CCN1c2cc(Cl)ccc2OC[C@H]1CC(=O)[O-] ZINC000409423346 344888400 /nfs/dbraw/zinc/88/84/00/344888400.db2.gz PXQAXRPXJIMGDS-SECBINFHSA-N -1 0 255.701 2.402 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@@H]1c1cccc(Br)c1 ZINC000085393325 179048717 /nfs/dbraw/zinc/04/87/17/179048717.db2.gz FSZXXWCBODRVKI-WCBMZHEXSA-N -1 0 285.093 2.138 40 0 CEABRM CCOc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OCC ZINC000085394846 179049315 /nfs/dbraw/zinc/04/93/15/179049315.db2.gz BIVVQVMTAXTBQO-QMTHXVAHSA-N -1 0 294.303 2.173 40 0 CEABRM O=C([O-])C1(c2ccccc2I)CC1 ZINC000071789949 363114522 /nfs/dbraw/zinc/11/45/22/363114522.db2.gz SPKWYBISQDBMIA-UHFFFAOYSA-N -1 0 288.084 2.407 40 0 CEABRM Cc1nnc(S/C(=C\c2ccc(N(C)C)o2)C(=O)[O-])o1 ZINC000211528509 539904969 /nfs/dbraw/zinc/90/49/69/539904969.db2.gz JSTGFMIJSPJZSE-TWGQIWQCSA-N -1 0 295.320 2.255 40 0 CEABRM CCOc1cc(N2CCCC[C@H]2C(=O)[O-])nc(SC)n1 ZINC000079439728 363601922 /nfs/dbraw/zinc/60/19/22/363601922.db2.gz REVPQQXCUYHEEV-VIFPVBQESA-N -1 0 297.380 2.041 40 0 CEABRM Cc1cc2ccccc2n2c(SCC(=O)[O-])nnc12 ZINC000000415015 361172083 /nfs/dbraw/zinc/17/20/83/361172083.db2.gz YRZFHADKPCPMEC-UHFFFAOYSA-N -1 0 273.317 2.368 40 0 CEABRM O=C([O-])COc1c2occc2cc2ccc(=O)oc21 ZINC000001607899 361210781 /nfs/dbraw/zinc/21/07/81/361210781.db2.gz VTIPSNMJULYGDJ-UHFFFAOYSA-N -1 0 260.201 2.003 40 0 CEABRM Cc1ccc(O)c(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000005542043 361333662 /nfs/dbraw/zinc/33/36/62/361333662.db2.gz WVAZCZGLMOZWPG-QOBDMFJFSA-N -1 0 272.300 2.406 40 0 CEABRM O=Cc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000031948176 361722256 /nfs/dbraw/zinc/72/22/56/361722256.db2.gz YATAGLXTMNBBPT-UHFFFAOYSA-N -1 0 299.282 2.215 40 0 CEABRM COc1cccc([C@@H](OCC(=O)[O-])C(F)(F)F)c1OC ZINC000095096408 364340593 /nfs/dbraw/zinc/34/05/93/364340593.db2.gz ZDQDEVZSZQRGEM-LLVKDONJSA-N -1 0 294.225 2.408 40 0 CEABRM CC([O-])=C1C(=O)CC(/C=C\c2ccccc2)CC1=O ZINC000100221649 364541688 /nfs/dbraw/zinc/54/16/88/364541688.db2.gz YFMHHXGMBVWMJG-FPLPWBNLSA-N -1 0 256.301 2.453 40 0 CEABRM O=C([O-])c1cnc(COc2ccc(F)cc2F)nc1 ZINC000217380973 189709871 /nfs/dbraw/zinc/70/98/71/189709871.db2.gz LTCWAVLRSXYBIV-UHFFFAOYSA-N -1 0 266.203 2.032 40 0 CEABRM O=C([O-])[C@@H]1CS[C@H](c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000002750026 304137952 /nfs/dbraw/zinc/13/79/52/304137952.db2.gz SDVSAMONKPNWEC-WDGYUPOISA-N -1 0 299.220 2.170 40 0 CEABRM O=C([O-])CCc1cnc(-c2cccc(Cl)c2)[nH]c1=O ZINC000223446494 370266176 /nfs/dbraw/zinc/26/61/76/370266176.db2.gz NLEUOTNBOVPWFC-UHFFFAOYSA-N -1 0 278.695 2.108 40 0 CEABRM CSc1nc(CC(=O)[O-])cc(NCc2ccccc2)n1 ZINC000225010516 370284592 /nfs/dbraw/zinc/28/45/92/370284592.db2.gz GMXPPEKLSKZRBJ-UHFFFAOYSA-N -1 0 289.360 2.438 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccc(Br)cc1 ZINC000085393350 304174932 /nfs/dbraw/zinc/17/49/32/304174932.db2.gz BFGIQUZHUQFEOZ-WPRPVWTQSA-N -1 0 285.093 2.138 40 0 CEABRM Cc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)c(C)c1 ZINC000409049780 375518669 /nfs/dbraw/zinc/51/86/69/375518669.db2.gz YQEAROXSRVYGAA-UKTHLTGXSA-N -1 0 281.315 2.274 40 0 CEABRM Cc1ccsc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O ZINC000409131717 375520278 /nfs/dbraw/zinc/52/02/78/375520278.db2.gz XUJOBCBBKIBVNC-XBXARRHUSA-N -1 0 283.330 2.177 40 0 CEABRM CC[C@H](Oc1cc(N)c2nc(C)ccc2c1)C(=O)[O-] ZINC000299803613 379144184 /nfs/dbraw/zinc/14/41/84/379144184.db2.gz GWOVPPSOTZVWNW-LBPRGKRZSA-N -1 0 260.293 2.367 40 0 CEABRM Cc1nc(NC(=O)c2ccccc2)sc1C(=O)[O-] ZINC000000412334 169634295 /nfs/dbraw/zinc/63/42/95/169634295.db2.gz FZEPDGODKRYQGL-UHFFFAOYSA-N -1 0 262.290 2.402 40 0 CEABRM CC(C)CN1c2ccccc2[C@@]2(C[C@H]2C(=O)[O-])C1=O ZINC000096243453 256831687 /nfs/dbraw/zinc/83/16/87/256831687.db2.gz WFAWDFXVORAIHS-XHDPSFHLSA-N -1 0 259.305 2.032 40 0 CEABRM O=C([O-])c1nn(-c2ncccc2Cl)nc1C(F)(F)F ZINC000089261778 304285077 /nfs/dbraw/zinc/28/50/77/304285077.db2.gz VOOGKJXCQNPXHR-UHFFFAOYSA-N -1 0 292.604 2.033 40 0 CEABRM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccncc2)N1 ZINC000001507702 394451429 /nfs/dbraw/zinc/45/14/29/394451429.db2.gz GSKJQFXGSBOGKF-HUUCEWRRSA-N -1 0 293.326 2.251 40 0 CEABRM Cc1ccc(-n2c(N)c(C(=O)[O-])cnc2=S)c(C)c1 ZINC000217677543 394455321 /nfs/dbraw/zinc/45/53/21/394455321.db2.gz QZWSDFXYXKFDSL-UHFFFAOYSA-N -1 0 275.333 2.499 40 0 CEABRM CC(C)c1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000041429730 394501501 /nfs/dbraw/zinc/50/15/01/394501501.db2.gz NGHARQDTNQECLQ-OAHLLOKOSA-N -1 0 277.364 2.138 40 0 CEABRM CC(C)(C)C(=O)NC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062702193 394569803 /nfs/dbraw/zinc/56/98/03/394569803.db2.gz QFCDXYMOZLKKIE-GFCCVEGCSA-N -1 0 263.337 2.407 40 0 CEABRM O=C([O-])CCC(=O)OCCOc1ccc(Cl)cc1 ZINC000255190622 394579809 /nfs/dbraw/zinc/57/98/09/394579809.db2.gz YJIVVDUODHDMTA-UHFFFAOYSA-N -1 0 272.684 2.127 40 0 CEABRM Cc1ncc(NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000072221183 394594580 /nfs/dbraw/zinc/59/45/80/394594580.db2.gz WMBHCKBAWLTIOH-UHFFFAOYSA-N -1 0 252.270 2.435 40 0 CEABRM COCCOc1c(Cl)c(OC)sc1C(=O)[O-] ZINC000096510981 394694128 /nfs/dbraw/zinc/69/41/28/394694128.db2.gz LYKVECPERSBQEF-UHFFFAOYSA-N -1 0 266.702 2.134 40 0 CEABRM O=C([O-])[C@H]1CCN(c2cc(-c3ccc(F)cc3)ncn2)C1 ZINC000096516864 394694378 /nfs/dbraw/zinc/69/43/78/394694378.db2.gz PCXKHDHZAQQMLM-NSHDSACASA-N -1 0 287.294 2.194 40 0 CEABRM CCN(CC)c1ncc(C(=O)[O-])c(-c2ccccn2)n1 ZINC000096517138 394695061 /nfs/dbraw/zinc/69/50/61/394695061.db2.gz GZVLRAOVBCDFED-UHFFFAOYSA-N -1 0 272.308 2.083 40 0 CEABRM O=C([O-])c1cnn2c1N[C@@H](c1cccc(Cl)c1)C2 ZINC000096530329 394698481 /nfs/dbraw/zinc/69/84/81/394698481.db2.gz BOLYSIHMERCCPR-SNVBAGLBSA-N -1 0 263.684 2.402 40 0 CEABRM CSCC[C@@H](Nc1cc(Cl)nc(C)n1)C(=O)[O-] ZINC000409426559 395304410 /nfs/dbraw/zinc/30/44/10/395304410.db2.gz FLKKAKMAFNDJGT-SSDOTTSWSA-N -1 0 275.761 2.057 40 0 CEABRM O=C(C1=C(O)C(=C([O-])C(F)(F)F)CCC1)C(F)(F)F ZINC000100036603 304342307 /nfs/dbraw/zinc/34/23/07/304342307.db2.gz BGMWVJKEILRZEL-RFZPGFLSSA-N -1 0 290.159 2.235 40 0 CEABRM C[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000263109367 154017544 /nfs/dbraw/zinc/01/75/44/154017544.db2.gz BPYBUIUOSFAKBZ-VIFPVBQESA-N -1 0 275.304 2.255 40 0 CEABRM Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000002540007 169805797 /nfs/dbraw/zinc/80/57/97/169805797.db2.gz XSWMPEWAGPDFHT-UHFFFAOYSA-N -1 0 294.257 2.203 40 0 CEABRM CCOC(=O)c1c[n-]c2cc3c(cc2c1=O)CCS3 ZINC000005502149 170105237 /nfs/dbraw/zinc/10/52/37/170105237.db2.gz ASPMATCMBPYVLC-UHFFFAOYSA-N -1 0 275.329 2.353 40 0 CEABRM CCOC(=O)CSC(=S)[N-]C1CCCCC1 ZINC000005574840 170115478 /nfs/dbraw/zinc/11/54/78/170115478.db2.gz HWSNFFTYONIDBT-UHFFFAOYSA-N -1 0 261.412 2.490 40 0 CEABRM Cc1ccc(C)c(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)c1 ZINC000036635195 172642908 /nfs/dbraw/zinc/64/29/08/172642908.db2.gz JHWHUTMRZQKRFC-JTQLQIEISA-N -1 0 279.317 2.347 40 0 CEABRM O=C([O-])c1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000036666837 172646204 /nfs/dbraw/zinc/64/62/04/172646204.db2.gz ZTLVCEGDICWNMJ-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])[C@@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000037359346 173149630 /nfs/dbraw/zinc/14/96/30/173149630.db2.gz UFNVWPMUGLEMSR-LLVKDONJSA-N -1 0 289.253 2.163 40 0 CEABRM Cc1cc(=O)c2cc(C(F)(F)F)ccc2n1CC(=O)[O-] ZINC000040175531 174200872 /nfs/dbraw/zinc/20/08/72/174200872.db2.gz RRBYKVQPTJKLQG-UHFFFAOYSA-N -1 0 285.221 2.413 40 0 CEABRM O=C([O-])c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000044388018 175170174 /nfs/dbraw/zinc/17/01/74/175170174.db2.gz IXVFRILJEDLVNV-UHFFFAOYSA-N -1 0 260.249 2.224 40 0 CEABRM CC(C)(C)OC(=O)N1CCc2nc(C(=O)[O-])ccc2C1 ZINC000034418315 278414096 /nfs/dbraw/zinc/41/40/96/278414096.db2.gz KZYADRMOXPGAPM-UHFFFAOYSA-N -1 0 278.308 2.073 40 0 in-vitro CEABRM COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004006577 295307332 /nfs/dbraw/zinc/30/73/32/295307332.db2.gz BIZXJOLLOODDNH-PJQZNRQZSA-N -1 0 287.315 2.157 40 0 CEABRM Cc1c([C@H]2N[C@H](C(=O)[O-])CS2)c2ccccc2n1C ZINC000408809382 301008023 /nfs/dbraw/zinc/00/80/23/301008023.db2.gz GTLHGQIJBIXVAU-GWCFXTLKSA-N -1 0 276.361 2.275 40 0 CEABRM Cc1cc(C)nc(Nc2ccc(N)cc2C(=O)[O-])n1 ZINC000408712878 301265849 /nfs/dbraw/zinc/26/58/49/301265849.db2.gz YOQWBHWTYZOBHS-UHFFFAOYSA-N -1 0 258.281 2.117 40 0 CEABRM CCS(=O)(=O)C(C)=C([O-])c1cccc(Cl)c1 ZINC000082744206 178268965 /nfs/dbraw/zinc/26/89/65/178268965.db2.gz JXFQCRHETKXKFM-MRVPVSSYSA-N -1 0 260.742 2.346 40 0 CEABRM Cc1nnc(S/C(=C\c2ccc(O)cc2)C(=O)[O-])o1 ZINC000007603540 343359045 /nfs/dbraw/zinc/35/90/45/343359045.db2.gz NOSYMWZRIZPACS-POHAHGRESA-N -1 0 278.289 2.301 40 0 CEABRM COP(=O)(OC)[C@H]1OC(=O)c2c1cccc2C(=O)[O-] ZINC000044676023 343476185 /nfs/dbraw/zinc/47/61/85/343476185.db2.gz HGUHYAQMQWMQRF-LLVKDONJSA-N -1 0 286.176 2.040 40 0 CEABRM Cc1cccc(-c2nc(N)cc(SCC(=O)[O-])n2)c1 ZINC000049469980 362365068 /nfs/dbraw/zinc/36/50/68/362365068.db2.gz SMVUZSHVLGOPRT-UHFFFAOYSA-N -1 0 275.333 2.211 40 0 CEABRM CNc1nn(-c2ccccc2C(F)(F)F)nc1C(=O)[O-] ZINC000256048199 344646999 /nfs/dbraw/zinc/64/69/99/344646999.db2.gz RIHFYAPCPHDHJD-UHFFFAOYSA-N -1 0 286.213 2.026 40 0 CEABRM CC1CCN(c2nn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000256049392 344647300 /nfs/dbraw/zinc/64/73/00/344647300.db2.gz ZRQYFROSFIQSPO-UHFFFAOYSA-N -1 0 286.335 2.202 40 0 CEABRM CC/C=C(\C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000585120651 345005820 /nfs/dbraw/zinc/00/58/20/345005820.db2.gz SIXIEHUVXACYFM-XJUJAYADSA-N -1 0 253.342 2.492 40 0 CEABRM CCOc1ccc2nc(N3CC(C(=O)[O-])C3)sc2c1 ZINC000061957913 362701095 /nfs/dbraw/zinc/70/10/95/362701095.db2.gz ZITAINHUNXRGAB-UHFFFAOYSA-N -1 0 278.333 2.216 40 0 CEABRM CC1=C[C@@H](C)[C@H](C(=O)[O-])[C@H](C(=O)NCc2cccnc2)C1 ZINC000102667469 185786355 /nfs/dbraw/zinc/78/63/55/185786355.db2.gz BWUMIDKCCNRFQN-BNOWGMLFSA-N -1 0 288.347 2.001 40 0 CEABRM C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1 ZINC000107066351 186158629 /nfs/dbraw/zinc/15/86/29/186158629.db2.gz UFNCPBWXZSABQU-LFHLZQBKSA-N -1 0 285.343 2.387 40 0 CEABRM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460038 363087635 /nfs/dbraw/zinc/08/76/35/363087635.db2.gz HSCAQFKYWBMPCF-LBPRGKRZSA-N -1 0 271.320 2.378 40 0 CEABRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccnc1 ZINC000073768286 363246258 /nfs/dbraw/zinc/24/62/58/363246258.db2.gz UCCQGZYKUFTTRY-UHFFFAOYSA-N -1 0 266.297 2.330 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1C[C@@H]1C(=O)[O-] ZINC000242543283 540423724 /nfs/dbraw/zinc/42/37/24/540423724.db2.gz JVGKKFAANDQUHO-LPEHRKFASA-N -1 0 255.314 2.107 40 0 CEABRM CCOC(=O)c1[nH]c(C)c(CCCC(=O)[O-])c1C ZINC000001721251 361219549 /nfs/dbraw/zinc/21/95/49/361219549.db2.gz QDFAKARTYYIKAT-UHFFFAOYSA-N -1 0 253.298 2.216 40 0 CEABRM CC[C@@H](S[C@](CC)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC000001751948 361220909 /nfs/dbraw/zinc/22/09/09/361220909.db2.gz GOPBSXOHNWRZMU-RISCZKNCSA-N -1 0 281.377 2.374 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1=CCC=CC1 ZINC000001762283 361222177 /nfs/dbraw/zinc/22/21/77/361222177.db2.gz VAJQVCXAZPZIGP-JTQLQIEISA-N -1 0 253.298 2.241 40 0 CEABRM CCc1c(C(=O)[O-])c(=O)cnn1-c1ccc(Cl)cc1 ZINC000003612897 361286904 /nfs/dbraw/zinc/28/69/04/361286904.db2.gz PIZCXVUFSNPNON-UHFFFAOYSA-N -1 0 278.695 2.147 40 0 in-vitro CEABRM O=C([O-])CCCCCNC(=O)Nc1ccccc1 ZINC000003175970 361266847 /nfs/dbraw/zinc/26/68/47/361266847.db2.gz VUPFPVOJLPTJQS-UHFFFAOYSA-N -1 0 250.298 2.453 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCCCc1ccccc1 ZINC000004652588 361324163 /nfs/dbraw/zinc/32/41/63/361324163.db2.gz IKFYJFIRVYEOFG-UGUYLWEFSA-N -1 0 299.370 2.258 40 0 CEABRM COc1cc(C(C)C)cc(/C=C2\NC(=O)[N-]C2=O)c1C ZINC000016249865 361485846 /nfs/dbraw/zinc/48/58/46/361485846.db2.gz LAJNZKOSGGCNCG-SDQBBNPISA-N -1 0 274.320 2.307 40 0 CEABRM O=C([O-])c1cn(Cc2ccccc2Br)cn1 ZINC000098214018 364537993 /nfs/dbraw/zinc/53/79/93/364537993.db2.gz DEXSXZQGKYWAEM-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM COc1ccc(C(=O)[O-])cc1NC(=S)NC(C)(C)C ZINC000225156142 189744745 /nfs/dbraw/zinc/74/47/45/189744745.db2.gz DOQIRDPGWAVTMG-UHFFFAOYSA-N -1 0 282.365 2.478 40 0 CEABRM CO[C@@H]1CN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC[C@@H]1C ZINC000634944088 368980297 /nfs/dbraw/zinc/98/02/97/368980297.db2.gz NLNMJWZORFTLBP-WOSRLPQWSA-N -1 0 299.411 2.397 40 0 CEABRM C[C@]1(C(=O)[O-])CC(c2c(F)cccc2Cl)=NO1 ZINC000217847128 370201009 /nfs/dbraw/zinc/20/10/09/370201009.db2.gz WRQKXMDKGRPYBO-LLVKDONJSA-N -1 0 257.648 2.447 40 0 CEABRM Cc1cc(C)nc(COc2cccc(C(=O)[O-])c2)n1 ZINC000226105785 370328651 /nfs/dbraw/zinc/32/86/51/370328651.db2.gz UZUCLOUYJFYOOB-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM O=C([O-])c1ccc(N2C(=O)c3ccc(F)cc3C2=O)cc1 ZINC000000362402 304246596 /nfs/dbraw/zinc/24/65/96/304246596.db2.gz UCLKEKHQIWCOQF-UHFFFAOYSA-N -1 0 285.230 2.325 40 0 CEABRM O=C([O-])CO[C@H](c1ccc2c(c1)CCO2)C(F)(F)F ZINC000095096453 184943357 /nfs/dbraw/zinc/94/33/57/184943357.db2.gz CUDOSCQQYUVOOI-LLVKDONJSA-N -1 0 276.210 2.326 40 0 CEABRM O=C([O-])c1nc2cccc(F)c2n1CC1CCOCC1 ZINC000255190135 304283496 /nfs/dbraw/zinc/28/34/96/304283496.db2.gz VEFSVJUEZVTHSO-UHFFFAOYSA-N -1 0 278.283 2.300 40 0 CEABRM CC(C)(C)OC(=O)N1CCc2occ(C(=O)[O-])c2C1 ZINC000096509843 394693377 /nfs/dbraw/zinc/69/33/77/394693377.db2.gz BIKQSHZRNVQLNG-UHFFFAOYSA-N -1 0 267.281 2.271 40 0 CEABRM Cc1nc(-c2ccc(F)cc2)cc(-n2cnc(C(=O)[O-])c2)n1 ZINC000096517360 394695034 /nfs/dbraw/zinc/69/50/34/394695034.db2.gz AYWGFBHSYLJGHW-UHFFFAOYSA-N -1 0 298.277 2.475 40 0 CEABRM O=C([O-])c1cnn2c1N[C@@H](c1ccc(Cl)cc1)C2 ZINC000096530311 394698243 /nfs/dbraw/zinc/69/82/43/394698243.db2.gz VEFMLWSXMYZZRM-SNVBAGLBSA-N -1 0 263.684 2.402 40 0 CEABRM Nc1ccc(NC(=O)CCCC(=O)[O-])cc1Cl ZINC000005017671 170056104 /nfs/dbraw/zinc/05/61/04/170056104.db2.gz YKVCXNWXNJEHQK-UHFFFAOYSA-N -1 0 256.689 2.116 40 0 CEABRM CC(C)CCC[C@@H](C)CCc1c([O-])[nH]c(=O)[nH]c1=O ZINC000005452985 170100172 /nfs/dbraw/zinc/10/01/72/170100172.db2.gz LTNFEXOLEMCQMK-SNVBAGLBSA-N -1 0 268.357 2.211 40 0 CEABRM Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1C ZINC000006742228 170238045 /nfs/dbraw/zinc/23/80/45/170238045.db2.gz WMOZYZPOGVOBEI-RFGFWPKPSA-N -1 0 289.331 2.120 40 0 CEABRM COCC(=O)Nc1ccccc1SCCCC(=O)[O-] ZINC000008732944 170351595 /nfs/dbraw/zinc/35/15/95/170351595.db2.gz XZGPIBNWRQWIPK-UHFFFAOYSA-N -1 0 283.349 2.228 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccnc1 ZINC000008908422 170358363 /nfs/dbraw/zinc/35/83/63/170358363.db2.gz MJWJGKYILYSTTB-UHFFFAOYSA-N -1 0 256.261 2.341 40 0 CEABRM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000020141386 171027696 /nfs/dbraw/zinc/02/76/96/171027696.db2.gz RMAHFIVGIDDBAH-UHFFFAOYSA-N -1 0 287.271 2.351 40 0 CEABRM O=C([O-])c1cn(Cc2cccc(Br)c2)cn1 ZINC000071631481 176236740 /nfs/dbraw/zinc/23/67/40/176236740.db2.gz YCRUDBCKGBVWAF-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM O=C([O-])[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F ZINC000072267067 176352795 /nfs/dbraw/zinc/35/27/95/176352795.db2.gz SLRHMRLLMPLETF-NEPJUHHUSA-N -1 0 281.283 2.068 40 0 CEABRM COc1ccccc1-c1cc2ncc(C(=O)[O-])c(C)n2n1 ZINC000075500939 176722286 /nfs/dbraw/zinc/72/22/86/176722286.db2.gz AQASQFOYSOOYLT-UHFFFAOYSA-N -1 0 283.287 2.412 40 0 CEABRM O=C([O-])c1cn(C2CCCC2)nc1Br ZINC000096529683 262528370 /nfs/dbraw/zinc/52/83/70/262528370.db2.gz LCIKEXOSDMVPKW-UHFFFAOYSA-N -1 0 259.103 2.459 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2cccnc2)C1 ZINC000002513094 278417703 /nfs/dbraw/zinc/41/77/03/278417703.db2.gz SJINPULFJCWKFE-RYUDHWBXSA-N -1 0 292.335 2.117 40 0 CEABRM O=c1c(Br)n[n-]c2c(Cl)cccc12 ZINC000225741310 280389452 /nfs/dbraw/zinc/38/94/52/280389452.db2.gz VQPWTECAXGMUCU-UHFFFAOYSA-N -1 0 259.490 2.339 40 0 CEABRM COc1ccc(-c2c([O-])c3cccnc3[nH]c2=O)cc1 ZINC000001571951 295046127 /nfs/dbraw/zinc/04/61/27/295046127.db2.gz WZKCVSHBDXIKKH-UHFFFAOYSA-N -1 0 268.272 2.304 40 0 CEABRM Cc1cc(C)nc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004457756 301265547 /nfs/dbraw/zinc/26/55/47/301265547.db2.gz PFIFPVUCCOHPSP-XWUBHJNHSA-N -1 0 286.331 2.160 40 0 CEABRM Cc1nc2[nH]cc(C(=O)[O-])c2cc1Br ZINC000016678047 302645582 /nfs/dbraw/zinc/64/55/82/302645582.db2.gz KLCKTBOCUFDKEF-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM CCOC(=O)c1[n-]c2ccc(F)cc2c(=O)c1Cl ZINC000685936884 570388724 /nfs/dbraw/zinc/38/87/24/570388724.db2.gz BMCBBBYMYQFSSS-UHFFFAOYSA-N -1 0 269.659 2.497 40 0 CEABRM CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)CC)N1 ZINC000408738446 567860998 /nfs/dbraw/zinc/86/09/98/567860998.db2.gz KUMXKULNUBSMNB-SECBINFHSA-N -1 0 252.236 2.036 40 0 CEABRM Cc1ccccc1NC(=O)[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000408720746 230409106 /nfs/dbraw/zinc/40/91/06/230409106.db2.gz YDVBYIIEYZRQPT-MRVPVSSYSA-N -1 0 274.242 2.001 40 0 CEABRM O=C([O-])c1cnc(Cl)nc1C(F)(F)C(F)(F)F ZINC000095935174 185033576 /nfs/dbraw/zinc/03/35/76/185033576.db2.gz NHCAUBCDUKYIDN-UHFFFAOYSA-N -1 0 276.548 2.482 40 0 CEABRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1 ZINC000082918422 178330343 /nfs/dbraw/zinc/33/03/43/178330343.db2.gz NVZVMVSTQZDUJQ-NWDGAFQWSA-N -1 0 263.293 2.166 40 0 CEABRM C[C@@H]1Cc2cccc3cc(/C=C/C(=O)[O-])c(=O)n1c23 ZINC000036625059 361849518 /nfs/dbraw/zinc/84/95/18/361849518.db2.gz LURDXSJYEIHHKR-VUHVRTRXSA-N -1 0 255.273 2.216 40 0 CEABRM CC(C)CCC[C@@H](C)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000036617523 361847766 /nfs/dbraw/zinc/84/77/66/361847766.db2.gz WXJXEOAIMHWLHP-SNVBAGLBSA-N -1 0 281.356 2.063 40 0 CEABRM CCCCOc1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1 ZINC000040867892 362008320 /nfs/dbraw/zinc/00/83/20/362008320.db2.gz CUUUSBPLGDWMHQ-RMKNXTFCSA-N -1 0 291.347 2.470 40 0 CEABRM O=C([O-])CSc1nc(Cc2ccccc2)ns1 ZINC000005603736 343354733 /nfs/dbraw/zinc/35/47/33/343354733.db2.gz OJZTZRLIPCAATG-UHFFFAOYSA-N -1 0 266.347 2.306 40 0 CEABRM CC(C)Nc1nc(SC(C)C)ncc1C(=O)[O-] ZINC000049469520 362365333 /nfs/dbraw/zinc/36/53/33/362365333.db2.gz NQWCAVLKBJTFCS-UHFFFAOYSA-N -1 0 255.343 2.496 40 0 CEABRM O=C([O-])c1cn(Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000409423193 344888414 /nfs/dbraw/zinc/88/84/14/344888414.db2.gz LYROXWTYVSSWPQ-UHFFFAOYSA-N -1 0 272.091 2.331 40 0 CEABRM CCN(c1ccc(C(=O)[O-])cn1)[C@H]1CCSC1 ZINC000409435407 344888859 /nfs/dbraw/zinc/88/88/59/344888859.db2.gz ULMIXITUWLXYEV-JTQLQIEISA-N -1 0 252.339 2.112 40 0 CEABRM COc1ccccc1CC1(C(=O)[O-])CCOCC1 ZINC000061674763 362687545 /nfs/dbraw/zinc/68/75/45/362687545.db2.gz LNETWXLQMKSKCE-UHFFFAOYSA-N -1 0 250.294 2.119 40 0 CEABRM O=C([O-])C1(COc2ccccc2F)CCOCC1 ZINC000085390560 179047746 /nfs/dbraw/zinc/04/77/46/179047746.db2.gz PTZFPEISSMOHPF-UHFFFAOYSA-N -1 0 254.257 2.086 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000101779346 185758381 /nfs/dbraw/zinc/75/83/81/185758381.db2.gz BMMLNQKDAJPMDU-XXHBBNRNSA-N -1 0 293.269 2.426 40 0 CEABRM CCn1c2ccc(Cl)cc2nc1[C@@H](O)CC(=O)[O-] ZINC000064874426 362797455 /nfs/dbraw/zinc/79/74/55/362797455.db2.gz CNHZMOMZAFZGTP-JTQLQIEISA-N -1 0 268.700 2.218 40 0 CEABRM CCn1c(C(=O)[O-])cc2c1cc(OC)c(OC)c2OC ZINC000067800378 362925711 /nfs/dbraw/zinc/92/57/11/362925711.db2.gz LIIJYXNBYQJHKV-UHFFFAOYSA-N -1 0 279.292 2.385 40 0 CEABRM O=C([O-])C1CN(Cc2ccc(Br)s2)C1 ZINC000070569524 363095143 /nfs/dbraw/zinc/09/51/43/363095143.db2.gz WLYLQJLCPYEIRG-UHFFFAOYSA-N -1 0 276.155 2.027 40 0 CEABRM O=C([O-])CCCCNC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000169748350 188662802 /nfs/dbraw/zinc/66/28/02/188662802.db2.gz HIQHBJVQMWZWIU-UHFFFAOYSA-N -1 0 287.319 2.061 40 0 CEABRM O=C([O-])CCCn1c(=O)oc2c1cccc2Cl ZINC000013609437 304051771 /nfs/dbraw/zinc/05/17/71/304051771.db2.gz YQRNDCREBTZWLX-UHFFFAOYSA-N -1 0 255.657 2.113 40 0 CEABRM O=C([O-])Cc1cc(N2CCCC2)nc(-c2ccccc2)n1 ZINC000225010739 304088469 /nfs/dbraw/zinc/08/84/69/304088469.db2.gz QLXFQXKNIDQJOV-UHFFFAOYSA-N -1 0 283.331 2.371 40 0 CEABRM CC(=O)N(C)c1cccc2cccc(S(=O)(=O)[O-])c21 ZINC000001672825 361216445 /nfs/dbraw/zinc/21/64/45/361216445.db2.gz ZBNKZAVVVRJOOR-UHFFFAOYSA-N -1 0 279.317 2.069 40 0 CEABRM CCc1cc2c(nc(SCC(=O)[O-])n(CC)c2=O)s1 ZINC000004294385 361310409 /nfs/dbraw/zinc/31/04/09/361310409.db2.gz CJSBOKQJKPQSGK-UHFFFAOYSA-N -1 0 298.389 2.217 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000013320977 361424631 /nfs/dbraw/zinc/42/46/31/361424631.db2.gz MCZUVQZPNUJZTA-XCCSTKFXSA-N -1 0 291.322 2.189 40 0 CEABRM O=C([O-])CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000017196761 361506766 /nfs/dbraw/zinc/50/67/66/361506766.db2.gz NOPYIUVWDWIAIV-SREVYHEPSA-N -1 0 261.306 2.152 40 0 CEABRM O=C([O-])c1nn(-c2cccc(Cl)c2)nc1Cl ZINC000089262248 363951801 /nfs/dbraw/zinc/95/18/01/363951801.db2.gz UMRPYFLPFXAJJF-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM Cc1nc(C2CC2)nc(N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000096516953 364426013 /nfs/dbraw/zinc/42/60/13/364426013.db2.gz JCUDTEOFMSKESB-LBPRGKRZSA-N -1 0 275.352 2.272 40 0 CEABRM O=c1cc(-c2ccc(Br)cc2)nc2cc[n-]n21 ZINC000100207263 364541551 /nfs/dbraw/zinc/54/15/51/364541551.db2.gz ATQJQWHQZHDJHV-UHFFFAOYSA-N -1 0 290.120 2.452 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000195550485 189678320 /nfs/dbraw/zinc/67/83/20/189678320.db2.gz WXBYICHGFLMFPY-KNUWBNEDSA-N -1 0 297.314 2.024 40 0 CEABRM CS(=O)(=O)c1cc(Cl)c(CC(=O)[O-])c(Cl)c1 ZINC000199552438 370149190 /nfs/dbraw/zinc/14/91/90/370149190.db2.gz ZWJIJQHTCBSFLN-UHFFFAOYSA-N -1 0 283.132 2.024 40 0 CEABRM Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)[O-] ZINC000218250852 370207156 /nfs/dbraw/zinc/20/71/56/370207156.db2.gz OHORWQLFIGMNTR-UHFFFAOYSA-N -1 0 260.293 2.423 40 0 CEABRM COc1cccc(C[C@@H](OCC(C)C)C(=O)[O-])c1 ZINC000225100968 370285269 /nfs/dbraw/zinc/28/52/69/370285269.db2.gz OVCQTCURBLINQW-CYBMUJFWSA-N -1 0 252.310 2.364 40 0 CEABRM CCc1cc(C(F)(F)F)nn1[C@@H](CC)C(=O)[O-] ZINC000238857066 189901659 /nfs/dbraw/zinc/90/16/59/189901659.db2.gz XZMWNVOEHOFXBQ-ZETCQYMHSA-N -1 0 250.220 2.500 40 0 CEABRM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccco2)N1 ZINC000003153898 304205568 /nfs/dbraw/zinc/20/55/68/304205568.db2.gz ZAOCCYZFRAVVGT-IUODEOHRSA-N -1 0 282.299 2.449 40 0 CEABRM O=C([O-])C1=NN(c2ccc(Br)cc2)C(=O)C1 ZINC000042411239 304226296 /nfs/dbraw/zinc/22/62/96/304226296.db2.gz GSXFMNDLNSNRMQ-UHFFFAOYSA-N -1 0 283.081 2.039 40 0 CEABRM O=C([O-])c1ccc(Nc2c3c(nc4ncnn42)CCC3)cc1 ZINC000004898001 304248823 /nfs/dbraw/zinc/24/88/23/304248823.db2.gz NEUGOGUPMMTMBN-UHFFFAOYSA-N -1 0 295.302 2.055 40 0 CEABRM O=C([O-])c1ccc2c(c1)SCCN2C(=O)C(F)(F)F ZINC000265540977 304253326 /nfs/dbraw/zinc/25/33/26/304253326.db2.gz ZLNHENAMPVHLAW-UHFFFAOYSA-N -1 0 291.250 2.386 40 0 CEABRM CSc1nn2c([n-]1)nc(-c1ccccc1Cl)cc2=O ZINC000006665388 533078572 /nfs/dbraw/zinc/07/85/72/533078572.db2.gz YNGISCBBDUNUAP-UHFFFAOYSA-N -1 0 292.751 2.460 40 0 CEABRM O=C([O-])c1nc2c(cccc2F)n1CC(F)(F)F ZINC000255190698 304283449 /nfs/dbraw/zinc/28/34/49/304283449.db2.gz YWUFFDJMGCDZDN-UHFFFAOYSA-N -1 0 262.162 2.436 40 0 CEABRM O=C([O-])c1nnn(Cc2ccccc2Cl)c1Cl ZINC000072220889 394594574 /nfs/dbraw/zinc/59/45/74/394594574.db2.gz QCWWFPGWHHHRBL-UHFFFAOYSA-N -1 0 272.091 2.331 40 0 CEABRM O=C([O-])c1n[nH]c(OCCc2ccccc2)c1Cl ZINC000096510766 394694386 /nfs/dbraw/zinc/69/43/86/394694386.db2.gz RPEIYYKABUSTEY-UHFFFAOYSA-N -1 0 266.684 2.383 40 0 CEABRM CCC(=C([O-])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096518081 394695078 /nfs/dbraw/zinc/69/50/78/394695078.db2.gz VGWIGIZLYTXPBN-NSHDSACASA-N -1 0 258.314 2.222 40 0 CEABRM O=C([O-])[C@H]1CCCC(=O)N1Cc1cccc(Cl)c1 ZINC000409428164 395304313 /nfs/dbraw/zinc/30/43/13/395304313.db2.gz LZBFICIPNPHTBU-LLVKDONJSA-N -1 0 267.712 2.306 40 0 CEABRM O=C([O-])CNc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000001724485 169750862 /nfs/dbraw/zinc/75/08/62/169750862.db2.gz XJDFJARBGUHYFJ-UHFFFAOYSA-N -1 0 253.257 2.395 40 0 CEABRM CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)[O-] ZINC000005415861 170096354 /nfs/dbraw/zinc/09/63/54/170096354.db2.gz AUVYTXHWZSUSFY-RYUDHWBXSA-N -1 0 276.336 2.045 40 0 biogenic,in-vitro CEABRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000005603576 170118603 /nfs/dbraw/zinc/11/86/03/170118603.db2.gz QAGUVKYLCYSVQT-AWEZNQCLSA-N -1 0 285.299 2.471 40 0 CEABRM O=C(Nc1ccccc1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000006475792 170204101 /nfs/dbraw/zinc/20/41/01/170204101.db2.gz HTBIBDMFMGFSJT-ZDUSSCGKSA-N -1 0 294.318 2.111 40 0 CEABRM CCCCC[C@@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-] ZINC000008615498 170343072 /nfs/dbraw/zinc/34/30/72/170343072.db2.gz UFBYEEDWABJWPK-SSDOTTSWSA-N -1 0 295.368 2.061 40 0 CEABRM COc1cccc(CO)c1OCc1cccc(C(=O)[O-])c1 ZINC000008727850 170349975 /nfs/dbraw/zinc/34/99/75/170349975.db2.gz QWDYKBDKURCJCX-UHFFFAOYSA-N -1 0 288.299 2.465 40 0 CEABRM COc1ccccc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000020274746 171131821 /nfs/dbraw/zinc/13/18/21/171131821.db2.gz WNPIZYZRSIUGBT-UHFFFAOYSA-N -1 0 287.271 2.351 40 0 CEABRM O=C([O-])c1ccccc1-c1nc(-c2ccccn2)no1 ZINC000020593802 171263386 /nfs/dbraw/zinc/26/33/86/171263386.db2.gz BUAFCEAPJJJTOG-UHFFFAOYSA-N -1 0 267.244 2.497 40 0 CEABRM Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)[O-])n3)cc2c1 ZINC000022119540 171353559 /nfs/dbraw/zinc/35/35/59/171353559.db2.gz QKKRIISHZNACEC-UHFFFAOYSA-N -1 0 299.286 2.316 40 0 CEABRM O=C([O-])c1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 ZINC000035280306 172098612 /nfs/dbraw/zinc/09/86/12/172098612.db2.gz NFCBOKHMAGERPZ-UHFFFAOYSA-N -1 0 273.288 2.209 40 0 CEABRM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cc3ccncc3)cc2)C1 ZINC000045958392 175389427 /nfs/dbraw/zinc/38/94/27/175389427.db2.gz VUXFOKMHNJUXQX-AWEZNQCLSA-N -1 0 296.326 2.110 40 0 CEABRM CCOC(=O)c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000071048948 176030474 /nfs/dbraw/zinc/03/04/74/176030474.db2.gz IVVCJVWTLPZWNS-UHFFFAOYSA-N -1 0 286.085 2.004 40 0 CEABRM COc1cccc(OCc2noc(CCCC(=O)[O-])n2)c1 ZINC000078401038 177337810 /nfs/dbraw/zinc/33/78/10/177337810.db2.gz SGSRGTLISCQOQQ-UHFFFAOYSA-N -1 0 292.291 2.065 40 0 CEABRM C[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000006253410 299825957 /nfs/dbraw/zinc/82/59/57/299825957.db2.gz LASNXWQAJQTKSB-TUAOUCFPSA-N -1 0 253.342 2.136 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@H]2[C@@H]1[C@H]2C(=O)[O-] ZINC000238070254 278388349 /nfs/dbraw/zinc/38/83/49/278388349.db2.gz SIRIUJBYRLGXJF-KXUCPTDWSA-N -1 0 255.314 2.107 40 0 CEABRM O=C([O-])CCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000062714388 279648925 /nfs/dbraw/zinc/64/89/25/279648925.db2.gz GYBKCNSMDZMVOD-YVMONPNESA-N -1 0 267.712 2.334 40 0 CEABRM CCn1c(C)cs/c1=N\c1ccc(S(=O)(=O)[O-])cc1 ZINC000004465401 288676080 /nfs/dbraw/zinc/67/60/80/288676080.db2.gz WNKRCEIIWHFBSS-SEYXRHQNSA-N -1 0 298.389 2.357 40 0 CEABRM Cc1cn(CCF)nc1NCc1ccccc1C(=O)[O-] ZINC000256053973 302320159 /nfs/dbraw/zinc/32/01/59/302320159.db2.gz UKDRDXQXNIALLN-UHFFFAOYSA-N -1 0 277.299 2.471 40 0 CEABRM N=c1[n-]nc(-c2cc(=O)c3cc(Cl)ccc3o2)s1 ZINC000104268312 303233615 /nfs/dbraw/zinc/23/36/15/303233615.db2.gz GPWJWYDRPAUDTJ-UHFFFAOYSA-N -1 0 279.708 2.377 40 0 CEABRM CCCCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000033443454 361780031 /nfs/dbraw/zinc/78/00/31/361780031.db2.gz MOMHXFQHIBIWLD-OFFHKIPUSA-N -1 0 291.347 2.468 40 0 CEABRM Cc1cccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)c1C ZINC000036635192 361849835 /nfs/dbraw/zinc/84/98/35/361849835.db2.gz DKDBGYGCFZCRAL-SNVBAGLBSA-N -1 0 279.317 2.347 40 0 CEABRM O=C([O-])c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000036666679 361850247 /nfs/dbraw/zinc/85/02/47/361850247.db2.gz UTJRHKQXVFXDDX-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM Cc1nnc(S/C(=C\c2cccc(O)c2)C(=O)[O-])o1 ZINC000007603542 343358954 /nfs/dbraw/zinc/35/89/54/343358954.db2.gz YNACHUXGZOKZPY-POHAHGRESA-N -1 0 278.289 2.301 40 0 CEABRM COP(=O)(OC)[C@@H]1OC(=O)c2c1cccc2C(=O)[O-] ZINC000044676025 343476120 /nfs/dbraw/zinc/47/61/20/343476120.db2.gz HGUHYAQMQWMQRF-NSHDSACASA-N -1 0 286.176 2.040 40 0 CEABRM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466569 362363998 /nfs/dbraw/zinc/36/39/98/362363998.db2.gz NPCCIBUYZHLRMP-GXTWGEPZSA-N -1 0 261.321 2.461 40 0 CEABRM C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@H]21 ZINC000225760802 344547153 /nfs/dbraw/zinc/54/71/53/344547153.db2.gz SWNTYLHTDSLQMT-ANZWQOBJSA-N -1 0 252.232 2.311 40 0 CEABRM CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)[O-])CC2 ZINC000238789986 344608507 /nfs/dbraw/zinc/60/85/07/344608507.db2.gz FBRWVUWBHWKVEH-KXUCPTDWSA-N -1 0 255.314 2.249 40 0 CEABRM CCc1ccc(-n2nc(C(=O)[O-])c(N(CC)CC)n2)cc1 ZINC000256048781 344646966 /nfs/dbraw/zinc/64/69/66/344646966.db2.gz WDXFZHHOIQGPMR-UHFFFAOYSA-N -1 0 288.351 2.374 40 0 CEABRM CCc1ccccc1-n1nc(C(=O)[O-])c(N(CC)CC)n1 ZINC000256047542 344647135 /nfs/dbraw/zinc/64/71/35/344647135.db2.gz NAQBZCVLONFJPL-UHFFFAOYSA-N -1 0 288.351 2.374 40 0 CEABRM C[C@@H](SCC(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000409439851 344889679 /nfs/dbraw/zinc/88/96/79/344889679.db2.gz JEABWQYKTPKNAC-SSDOTTSWSA-N -1 0 264.306 2.214 40 0 CEABRM O=C([O-])C[C@H]1CSc2nc(-c3cccs3)cc(=O)n21 ZINC000085397267 179049725 /nfs/dbraw/zinc/04/97/25/179049725.db2.gz JPBLALUDFLMAKZ-ZETCQYMHSA-N -1 0 294.357 2.093 40 0 CEABRM CNc1c(C)cc(C(=O)[O-])cc1I ZINC000001722683 290836949 /nfs/dbraw/zinc/83/69/49/290836949.db2.gz JUPOQGWXMWGRHV-UHFFFAOYSA-N -1 0 291.088 2.340 40 0 CEABRM Cc1cc2[nH]nc(C(=O)[O-])c2cc1Br ZINC000230504303 539767434 /nfs/dbraw/zinc/76/74/34/539767434.db2.gz MMJVFRMSAWBRRG-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM COc1cccc(-c2cc3ncc(C(=O)[O-])c(C)n3n2)c1 ZINC000075500931 363466343 /nfs/dbraw/zinc/46/63/43/363466343.db2.gz QGBBVVYAHYMAQD-UHFFFAOYSA-N -1 0 283.287 2.412 40 0 CEABRM Cc1cc(Cl)ccc1N1N=C(C(=O)[O-])CC1=O ZINC000077435064 363548082 /nfs/dbraw/zinc/54/80/82/363548082.db2.gz ZYYDTZLZVKQRLV-UHFFFAOYSA-N -1 0 252.657 2.238 40 0 CEABRM Cc1nc2sc3c([n-]nnc3=O)c2c(C)c1Cl ZINC000000091867 361126183 /nfs/dbraw/zinc/12/61/83/361126183.db2.gz WFKJUQVGAXBEOJ-UHFFFAOYSA-N -1 0 266.713 2.198 40 0 CEABRM COc1ccccc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002530040 361238031 /nfs/dbraw/zinc/23/80/31/361238031.db2.gz QMHKMTAKTUUKEK-LLVKDONJSA-N -1 0 295.335 2.216 40 0 CEABRM O=C([O-])c1cccc(OCC(=O)NC2CCCCC2)c1 ZINC000013080026 361418033 /nfs/dbraw/zinc/41/80/33/361418033.db2.gz LRKOAAGQFLXPEZ-UHFFFAOYSA-N -1 0 277.320 2.213 40 0 CEABRM CCC1C(=O)N=C(SCc2ccccc2)N=C1[O-] ZINC000016161118 361484539 /nfs/dbraw/zinc/48/45/39/361484539.db2.gz YIPJXKNVZGAXDX-UHFFFAOYSA-N -1 0 262.334 2.330 40 0 CEABRM Cc1nc2cc(C(=O)[O-])cc(Br)c2[nH]1 ZINC000084595004 363815765 /nfs/dbraw/zinc/81/57/65/363815765.db2.gz QAPMRJVHFRYTSB-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM C[C@@H]1C[C@@H]2[C@H](C[C@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000242547883 297313995 /nfs/dbraw/zinc/31/39/95/297313995.db2.gz KXKZVTQSNMTKIP-DFTQBPQZSA-N -1 0 252.232 2.453 40 0 CEABRM CC(C)n1ncc(C(=O)[O-])c1OCc1cccnc1 ZINC000095096617 364340431 /nfs/dbraw/zinc/34/04/31/364340431.db2.gz XGCKAKBFRFSLMG-UHFFFAOYSA-N -1 0 261.281 2.136 40 0 CEABRM O=C(C=C([O-])c1ccc(O)cc1)C(F)(F)C(F)F ZINC000100316355 364544315 /nfs/dbraw/zinc/54/43/15/364544315.db2.gz XJLGDXYMHFBCHV-UHFFFAOYSA-N -1 0 264.174 2.435 40 0 CEABRM Cc1nc2n(n1)[C@H](/C=C/c1ccccc1)CC(C(=O)[O-])=N2 ZINC000102278398 364588973 /nfs/dbraw/zinc/58/89/73/364588973.db2.gz BWCGDKVCHKZNKK-ABZNLYFFSA-N -1 0 282.303 2.235 40 0 CEABRM COc1cc(C(=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC000218292161 370208813 /nfs/dbraw/zinc/20/88/13/370208813.db2.gz RDVIWMNRMKRPFM-UHFFFAOYSA-N -1 0 252.657 2.233 40 0 CEABRM CC(C)(C)NC(=S)Nc1cc(C(=O)[O-])ccc1O ZINC000408587195 375513578 /nfs/dbraw/zinc/51/35/78/375513578.db2.gz SCSNNDCIMKYTGR-UHFFFAOYSA-N -1 0 268.338 2.175 40 0 CEABRM O=C([O-])c1ccccc1-c1ccc(CN2CCOCC2)nc1 ZINC000257275413 190024807 /nfs/dbraw/zinc/02/48/07/190024807.db2.gz NPHPUPKFNIXSOX-UHFFFAOYSA-N -1 0 298.342 2.279 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000005685363 304210890 /nfs/dbraw/zinc/21/08/90/304210890.db2.gz IOFJUNNZKGARLU-VRKREXBASA-N -1 0 297.354 2.489 40 0 CEABRM O=S(=O)(c1cccc(Cl)c1[O-])C(F)(F)F ZINC000034584711 394493519 /nfs/dbraw/zinc/49/35/19/394493519.db2.gz LRRGYCQHOMMJLG-UHFFFAOYSA-N -1 0 260.620 2.339 40 0 CEABRM O=C([O-])c1ccc(CS(=O)(=O)C2CCCCC2)o1 ZINC000037684748 394497186 /nfs/dbraw/zinc/49/71/86/394497186.db2.gz WINKSULYLNATBR-UHFFFAOYSA-N -1 0 272.322 2.225 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2ccccc2Cl)CC(=O)N1 ZINC000044563694 394506739 /nfs/dbraw/zinc/50/67/39/394506739.db2.gz DEFGMHFAGHHJJR-SECBINFHSA-N -1 0 265.696 2.302 40 0 CEABRM CCOc1cccc(/C=C/C(=O)NCCCC(=O)[O-])c1 ZINC000062715389 394570200 /nfs/dbraw/zinc/57/02/00/394570200.db2.gz HDWOKUXDLYQCOM-CMDGGOBGSA-N -1 0 277.320 2.080 40 0 CEABRM CC(=O)N[C@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096296958 394678708 /nfs/dbraw/zinc/67/87/08/394678708.db2.gz GKGRPQBVHAKYGU-SSDOTTSWSA-N -1 0 292.266 2.376 40 0 biogenic,in-vitro CEABRM CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)[O-])c[nH]2)CC1 ZINC000096517481 394695156 /nfs/dbraw/zinc/69/51/56/394695156.db2.gz LDTHIAWKRSRWCI-UHFFFAOYSA-N -1 0 295.339 2.222 40 0 CEABRM CC(C)c1nc(OCC(F)(F)F)cc(C(=O)[O-])n1 ZINC000096524186 394696635 /nfs/dbraw/zinc/69/66/35/394696635.db2.gz OVCVCZMMPLOKMA-UHFFFAOYSA-N -1 0 264.203 2.239 40 0 CEABRM COc1cc(Br)cc(/C=C/C(=O)[O-])c1O ZINC000002524641 169801890 /nfs/dbraw/zinc/80/18/90/169801890.db2.gz CFOZWYYYFAOWFK-NSCUHMNNSA-N -1 0 273.082 2.261 40 0 CEABRM CC(C)(C)Nc1nc(=O)c(Cc2ccc(F)cc2)n[n-]1 ZINC000005154558 170071062 /nfs/dbraw/zinc/07/10/62/170071062.db2.gz MHJDMBRLILGNGR-UHFFFAOYSA-N -1 0 276.315 2.105 40 0 CEABRM O=C([O-])C[C@H](c1ccccc1)[C@@]1(O)OC(=O)c2ccccc21 ZINC000005901578 170152593 /nfs/dbraw/zinc/15/25/93/170152593.db2.gz ICXMPDPXOXESRP-PBHICJAKSA-N -1 0 298.294 2.261 40 0 CEABRM COc1ccc(O[C@H](C)C(=O)[O-])c2c1ccccc2=O ZINC000006442665 170202202 /nfs/dbraw/zinc/20/22/02/170202202.db2.gz KEMGBYCHTLGPRT-SECBINFHSA-N -1 0 274.272 2.061 40 0 CEABRM Cc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000006726244 170233236 /nfs/dbraw/zinc/23/32/36/170233236.db2.gz VRAAQIVJRKYBIL-BARDWOONSA-N -1 0 287.359 2.358 40 0 CEABRM COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000006728982 170234110 /nfs/dbraw/zinc/23/41/10/170234110.db2.gz HMPWUWPYQGAHRB-QOBDMFJFSA-N -1 0 289.331 2.381 40 0 CEABRM COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000006728983 170234283 /nfs/dbraw/zinc/23/42/83/170234283.db2.gz HMPWUWPYQGAHRB-OAACRXHESA-N -1 0 289.331 2.381 40 0 CEABRM CCC[C@@H](Nc1cc(OC)ccc1OC)C(=O)[O-] ZINC000008702823 170347619 /nfs/dbraw/zinc/34/76/19/170347619.db2.gz YHHYTXZHXWAMRG-SNVBAGLBSA-N -1 0 253.298 2.369 40 0 CEABRM COCC(=O)Nc1ccccc1SC(C)(C)C(=O)[O-] ZINC000008732947 170351555 /nfs/dbraw/zinc/35/15/55/170351555.db2.gz DGBFEFKIJKFWAT-UHFFFAOYSA-N -1 0 283.349 2.227 40 0 CEABRM CC[C@@H](Sc1ccccc1NC(=O)COC)C(=O)[O-] ZINC000008732946 170351744 /nfs/dbraw/zinc/35/17/44/170351744.db2.gz LEQWWHLKCWCLIU-SNVBAGLBSA-N -1 0 283.349 2.227 40 0 CEABRM O=C([O-])c1ccn(Cc2ccc(Br)cc2)n1 ZINC000011920507 170458882 /nfs/dbraw/zinc/45/88/82/170458882.db2.gz CWGCJUNDOLFXPT-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM CCc1ccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1 ZINC000020156275 171038980 /nfs/dbraw/zinc/03/89/80/171038980.db2.gz BXZBBJVISLZMKD-UHFFFAOYSA-N -1 0 276.317 2.156 40 0 CEABRM O=C([O-])CCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000022119544 171353505 /nfs/dbraw/zinc/35/35/05/171353505.db2.gz VJZZMAYNSXBXKH-UHFFFAOYSA-N -1 0 285.259 2.008 40 0 CEABRM Cc1nc(-c2cccc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000022123990 171353802 /nfs/dbraw/zinc/35/38/02/171353802.db2.gz CEDAWSJORAFHRR-UHFFFAOYSA-N -1 0 278.695 2.026 40 0 CEABRM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000037359189 173149393 /nfs/dbraw/zinc/14/93/93/173149393.db2.gz VMIKALAOLOUIHR-LLVKDONJSA-N -1 0 290.146 2.451 40 0 CEABRM Cc1nc(-c2ccc(F)c(F)c2)ncc1C(=O)[O-] ZINC000043557951 175064976 /nfs/dbraw/zinc/06/49/76/175064976.db2.gz BGQYPTBPWRPVRV-UHFFFAOYSA-N -1 0 250.204 2.428 40 0 CEABRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccncc1 ZINC000072414385 176398951 /nfs/dbraw/zinc/39/89/51/176398951.db2.gz OVUMRUFGBKVFJP-UHFFFAOYSA-N -1 0 278.333 2.199 40 0 CEABRM Cc1ccccc1OCc1noc(CCCC(=O)[O-])n1 ZINC000078401032 177337505 /nfs/dbraw/zinc/33/75/05/177337505.db2.gz XTGPKJBUAPVJRK-UHFFFAOYSA-N -1 0 276.292 2.364 40 0 CEABRM CC[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O ZINC000003173775 287370457 /nfs/dbraw/zinc/37/04/57/287370457.db2.gz VBIKHPNZDSUHLR-KGLIPLIRSA-N -1 0 286.331 2.477 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CC(=O)[O-])C1 ZINC000169805769 278381772 /nfs/dbraw/zinc/38/17/72/278381772.db2.gz CDPKCMBZNPLVGZ-QMMMGPOBSA-N -1 0 279.283 2.353 40 0 CEABRM Cc1cccc(-c2ccnc3cc(C(=O)[O-])nn32)c1 ZINC000002786978 301935464 /nfs/dbraw/zinc/93/54/64/301935464.db2.gz FWOURRYLIGTOLP-UHFFFAOYSA-N -1 0 253.261 2.403 40 0 CEABRM O=c1[n-]nc2scc(-c3ccc(Cl)cc3)n12 ZINC000013566220 304815284 /nfs/dbraw/zinc/81/52/84/304815284.db2.gz FFJWOMZWQAIBOE-UHFFFAOYSA-N -1 0 251.698 2.405 40 0 CEABRM O=c1c2cnc3ccnn3c2ccn1-c1ccccc1[S-] ZINC000040175426 304816842 /nfs/dbraw/zinc/81/68/42/304816842.db2.gz BPTHYLRATBEUPY-UHFFFAOYSA-N -1 0 294.339 2.322 40 0 CEABRM CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000033443451 361780284 /nfs/dbraw/zinc/78/02/84/361780284.db2.gz WKXALLDCGOLXSU-VSGCLNPGSA-N -1 0 291.347 2.324 40 0 CEABRM CCCCN1c2ccc(C(=O)[O-])cc2S(=O)(=O)N=C1C ZINC000040350773 361991946 /nfs/dbraw/zinc/99/19/46/361991946.db2.gz HPBKWPZKDYGMPZ-UHFFFAOYSA-N -1 0 296.348 2.112 40 0 CEABRM CC(C)(C)OC(=O)Nc1c(O)cccc1C(=O)[O-] ZINC000002582944 539183328 /nfs/dbraw/zinc/18/33/28/539183328.db2.gz UCNRIKCUNPUSTK-UHFFFAOYSA-N -1 0 253.254 2.437 40 0 CEABRM Cc1ccc2c(c1)nnn2C(=O)CCCCC(=O)[O-] ZINC000041096002 362019177 /nfs/dbraw/zinc/01/91/77/362019177.db2.gz CJXQGDFDNPFWIV-UHFFFAOYSA-N -1 0 261.281 2.025 40 0 CEABRM CSc1nc2sc(C(=O)[O-])c(C)c2c(N)n1 ZINC000036644093 295690495 /nfs/dbraw/zinc/69/04/95/295690495.db2.gz PTFPYYXRRRQPCX-UHFFFAOYSA-N -1 0 255.324 2.002 40 0 CEABRM CCOC(=O)c1[n-]c(Br)nc1Br ZINC000032265686 343412027 /nfs/dbraw/zinc/41/20/27/343412027.db2.gz AIKWQIDGBPGVEV-UHFFFAOYSA-N -1 0 297.934 2.111 40 0 CEABRM Nc1cc(SCC(=O)[O-])nc(CCc2ccccc2)n1 ZINC000049470239 362365416 /nfs/dbraw/zinc/36/54/16/362365416.db2.gz INWOVKJUFJNKBE-UHFFFAOYSA-N -1 0 289.360 2.021 40 0 CEABRM COC(=O)c1sc(Br)c(C)c1[O-] ZINC000165693237 344474970 /nfs/dbraw/zinc/47/49/70/344474970.db2.gz ULBBJFIWQPVGFN-UHFFFAOYSA-N -1 0 251.101 2.311 40 0 CEABRM COc1c(C)c2c(c(O)c1CC[C@@H](C)C(=O)[O-])C(=O)OC2 ZINC000210468306 344531212 /nfs/dbraw/zinc/53/12/12/344531212.db2.gz QMNZQJIPOGEXDT-SSDOTTSWSA-N -1 0 294.303 2.033 40 0 biogenic,in-vitro CEABRM CCN(CC)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000057367106 362579656 /nfs/dbraw/zinc/57/96/56/362579656.db2.gz DNGHQUYPFIOLTN-LBPRGKRZSA-N -1 0 290.363 2.279 40 0 CEABRM CC(C)c1ccccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1 ZINC000058038112 362606550 /nfs/dbraw/zinc/60/65/50/362606550.db2.gz LQZRTGCGNWIAKH-UHFFFAOYSA-N -1 0 288.303 2.171 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc(Br)cc1 ZINC000085393341 179048616 /nfs/dbraw/zinc/04/86/16/179048616.db2.gz BFGIQUZHUQFEOZ-SCZZXKLOSA-N -1 0 285.093 2.138 40 0 CEABRM CCn1cc(C(=O)[O-])c(=O)c2cc(OC)c(Cl)cc21 ZINC000064874643 362797582 /nfs/dbraw/zinc/79/75/82/362797582.db2.gz WCQVZBKCLVLTEL-UHFFFAOYSA-N -1 0 281.695 2.382 40 0 CEABRM CSc1nc(Cl)cc(N2CCCC[C@H]2C(=O)[O-])n1 ZINC000072203505 363121478 /nfs/dbraw/zinc/12/14/78/363121478.db2.gz OQRNBORNFSBSPY-ZETCQYMHSA-N -1 0 287.772 2.295 40 0 CEABRM Cc1c(Cl)cccc1N1N=C(C(=O)[O-])CC1=O ZINC000077435057 363547575 /nfs/dbraw/zinc/54/75/75/363547575.db2.gz FYUJRPPGISKWQK-UHFFFAOYSA-N -1 0 252.657 2.238 40 0 CEABRM O=C([O-])Cc1c[nH]c(=S)n(C2CCCCC2)c1=O ZINC000020156320 304088226 /nfs/dbraw/zinc/08/82/26/304088226.db2.gz VTAZEVRGGORWBZ-UHFFFAOYSA-N -1 0 268.338 2.038 40 0 CEABRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1F ZINC000000428639 361173501 /nfs/dbraw/zinc/17/35/01/361173501.db2.gz RXAJQUXLQDJIKC-UHFFFAOYSA-N -1 0 270.285 2.231 40 0 CEABRM O=C([O-])c1ccc(NC(=O)c2ccccc2O)cc1 ZINC000001555589 361207306 /nfs/dbraw/zinc/20/73/06/361207306.db2.gz IBZSQWHMOFFVEG-UHFFFAOYSA-N -1 0 257.245 2.343 40 0 CEABRM COc1cc(CC(=O)[O-])c(Br)cc1C ZINC000001583373 361210247 /nfs/dbraw/zinc/21/02/47/361210247.db2.gz XIFCQXGNMPMNLU-UHFFFAOYSA-N -1 0 259.099 2.393 40 0 CEABRM CCCCS(=O)(=O)[N-]C(=O)Nc1ccc(C)cc1 ZINC000001848635 361223388 /nfs/dbraw/zinc/22/33/88/361223388.db2.gz XXQDDPPQAARLKO-UHFFFAOYSA-N -1 0 270.354 2.246 40 0 CEABRM CCc1c(C(=O)[O-])nnn1-c1ccc(Br)cc1 ZINC000011730665 361361891 /nfs/dbraw/zinc/36/18/91/361361891.db2.gz KFPGYHOHNLUNRX-UHFFFAOYSA-N -1 0 296.124 2.290 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)-c1ccccc1C2=O ZINC000017160268 361505241 /nfs/dbraw/zinc/50/52/41/361505241.db2.gz PKTOAAZRAHSZCI-FPLPWBNLSA-N -1 0 293.278 2.477 40 0 CEABRM O=c1cc([O-])c2sc(SCc3cccnc3)nc2[nH]1 ZINC000019624508 361545152 /nfs/dbraw/zinc/54/51/52/361545152.db2.gz QRPJNHHYIFSQSC-UHFFFAOYSA-N -1 0 291.357 2.378 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C2(CCCC2)C1 ZINC000238150909 370772761 /nfs/dbraw/zinc/77/27/61/370772761.db2.gz PXOWZNKGPINTIR-JTQLQIEISA-N -1 0 269.341 2.498 40 0 CEABRM O=C([O-])[C@H]1C[C@@H](F)CN(C(=O)OCc2ccccc2)C1 ZINC000116185630 365042228 /nfs/dbraw/zinc/04/22/28/365042228.db2.gz QGRPPKXRMWZVMA-NWDGAFQWSA-N -1 0 281.283 2.068 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000169619947 304155618 /nfs/dbraw/zinc/15/56/18/304155618.db2.gz TYAYPIWADLHQNF-LQKXBSAESA-N -1 0 297.354 2.094 40 0 CEABRM C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)[O-] ZINC000224973463 370284025 /nfs/dbraw/zinc/28/40/25/370284025.db2.gz NLAFOVGDBPVUOT-RXMQYKEDSA-N -1 0 255.324 2.098 40 0 CEABRM COc1ccc(OC)c(N(C)CCCC(=O)[O-])c1 ZINC000225000604 370284584 /nfs/dbraw/zinc/28/45/84/370284584.db2.gz DYVPRXVTOHOSPG-UHFFFAOYSA-N -1 0 253.298 2.005 40 0 CEABRM Cc1nccn1Cc1cnn(-c2ccccc2C(=O)[O-])c1 ZINC000257284353 190026407 /nfs/dbraw/zinc/02/64/07/190026407.db2.gz PCIQUVHKLFGIFL-UHFFFAOYSA-N -1 0 282.303 2.124 40 0 CEABRM O=C([O-])c1cc2nsnc2c(Br)c1 ZINC000085386705 304229928 /nfs/dbraw/zinc/22/99/28/304229928.db2.gz RBLLCIWTWRKZDG-UHFFFAOYSA-N -1 0 259.084 2.152 40 0 CEABRM O=C([O-])COc1ccccc1C(=O)Nc1ccccc1 ZINC000001555590 169712953 /nfs/dbraw/zinc/71/29/53/169712953.db2.gz RCMAKYLCUAZCEW-UHFFFAOYSA-N -1 0 271.272 2.402 40 0 CEABRM Cc1c(C(=O)[O-])cnc2cc(OCc3ccccc3)nn21 ZINC000225725144 394469524 /nfs/dbraw/zinc/46/95/24/394469524.db2.gz BIDUKGMTNFKQIH-UHFFFAOYSA-N -1 0 283.287 2.315 40 0 CEABRM Cc1ccc2[nH]nc(C(=O)[O-])c2c1Br ZINC000021984944 394473817 /nfs/dbraw/zinc/47/38/17/394473817.db2.gz HIWOOFYIRGJINV-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM C/C(=C\C(=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208153 394592408 /nfs/dbraw/zinc/59/24/08/394592408.db2.gz OAEGOFRGBQEDBQ-AAXQSMANSA-N -1 0 255.314 2.417 40 0 CEABRM C[C@@H](c1ccc(Br)cc1)n1cc(C(=O)[O-])nn1 ZINC000096510223 394693504 /nfs/dbraw/zinc/69/35/04/394693504.db2.gz FIBTVTCDIAATSK-ZETCQYMHSA-N -1 0 296.124 2.348 40 0 CEABRM COCCOc1c(Br)csc1C(=O)[O-] ZINC000096511016 394693984 /nfs/dbraw/zinc/69/39/84/394693984.db2.gz KVVPKHDTGMYFKH-UHFFFAOYSA-N -1 0 281.127 2.234 40 0 CEABRM CC(C)[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000212517460 400304404 /nfs/dbraw/zinc/30/44/04/400304404.db2.gz NRYAJYVASNDZSV-VHSXEESVSA-N -1 0 257.330 2.495 40 0 CEABRM C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@H]21 ZINC000242677042 400315456 /nfs/dbraw/zinc/31/54/56/400315456.db2.gz SWNTYLHTDSLQMT-JGKVKWKGSA-N -1 0 252.232 2.311 40 0 CEABRM C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000005043041 299776442 /nfs/dbraw/zinc/77/64/42/299776442.db2.gz JJEIOIDRCVNOLC-JAYDOHCTSA-N -1 0 279.380 2.428 40 0 CEABRM CCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000005903840 170152406 /nfs/dbraw/zinc/15/24/06/170152406.db2.gz PZLJPKDVZJWVIF-UHFFFAOYSA-N -1 0 286.740 2.261 40 0 CEABRM C[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1 ZINC000006715591 170231461 /nfs/dbraw/zinc/23/14/61/170231461.db2.gz ARNLQRRWEIVOLL-SWTDPAGASA-N -1 0 288.347 2.006 40 0 CEABRM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195026 170366121 /nfs/dbraw/zinc/36/61/21/170366121.db2.gz RLNYEUKUKWJOGC-KXNHARMFSA-N -1 0 255.358 2.428 40 0 CEABRM COc1ccc(OC)c2c1c(=O)c(C(=O)[O-])cn2C(C)C ZINC000040175655 174201109 /nfs/dbraw/zinc/20/11/09/174201109.db2.gz OHMHDLJIQHECBB-UHFFFAOYSA-N -1 0 291.303 2.298 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(CSCC(=O)[O-])CC1 ZINC000079392103 177475451 /nfs/dbraw/zinc/47/54/51/177475451.db2.gz XBDRYUFMYIEVPW-UHFFFAOYSA-N -1 0 289.397 2.451 40 0 CEABRM CN1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000408814425 289856015 /nfs/dbraw/zinc/85/60/15/289856015.db2.gz FTOBIBJIUWUATG-TWGQIWQCSA-N -1 0 263.274 2.051 40 0 CEABRM COc1cc(Br)cc2c1OCC(C(=O)[O-])=C2 ZINC000002599371 294921383 /nfs/dbraw/zinc/92/13/83/294921383.db2.gz GTZCNRUHQQHSRC-UHFFFAOYSA-N -1 0 285.093 2.318 40 0 CEABRM COc1ccc(C2(CC(=O)[O-])CCOCC2)cc1 ZINC000041305589 295113049 /nfs/dbraw/zinc/11/30/49/295113049.db2.gz MWQAHLIKDWRTSD-UHFFFAOYSA-N -1 0 250.294 2.218 40 0 CEABRM COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004832180 295307115 /nfs/dbraw/zinc/30/71/15/295307115.db2.gz BIZXJOLLOODDNH-OAACRXHESA-N -1 0 287.315 2.157 40 0 CEABRM C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])[C@H]21 ZINC000242677044 297164901 /nfs/dbraw/zinc/16/49/01/297164901.db2.gz SWNTYLHTDSLQMT-SYHAXYEDSA-N -1 0 252.232 2.311 40 0 CEABRM C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000004976715 300045721 /nfs/dbraw/zinc/04/57/21/300045721.db2.gz KMRLXCQUQIMDDQ-TVYUQYBPSA-N -1 0 287.315 2.310 40 0 CEABRM Cc1nn(CCF)cc1NCc1ccccc1C(=O)[O-] ZINC000256054924 302805566 /nfs/dbraw/zinc/80/55/66/302805566.db2.gz YJYVTZYGLAJQNH-UHFFFAOYSA-N -1 0 277.299 2.471 40 0 CEABRM CC(C)c1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000033439489 361778835 /nfs/dbraw/zinc/77/88/35/361778835.db2.gz VWRFIDKFQOAFIC-OALRPVAKSA-N -1 0 261.321 2.413 40 0 CEABRM Nc1ccc(Br)c(Cl)c1C(=O)[O-] ZINC000033985848 361787922 /nfs/dbraw/zinc/78/79/22/361787922.db2.gz AQQXRSNOIQEAMM-UHFFFAOYSA-N -1 0 250.479 2.383 40 0 CEABRM CC[N-]C(=S)SCC(=O)c1ccc(NC(C)=O)cc1 ZINC000040934311 362010124 /nfs/dbraw/zinc/01/01/24/362010124.db2.gz XYCXRCZOADBEQC-UHFFFAOYSA-N -1 0 296.417 2.455 40 0 CEABRM CCN(CC)c1nn(-c2cccc(C)c2)nc1C(=O)[O-] ZINC000256047116 344647003 /nfs/dbraw/zinc/64/70/03/344647003.db2.gz KLCPVXCOJSXIDH-UHFFFAOYSA-N -1 0 274.324 2.120 40 0 CEABRM CCCNc1nn(-c2cccc(C)c2C)nc1C(=O)[O-] ZINC000256048733 344647053 /nfs/dbraw/zinc/64/70/53/344647053.db2.gz VUMCRFOWAJBQFX-UHFFFAOYSA-N -1 0 274.324 2.404 40 0 CEABRM CN(C(=O)OC(C)(C)C)C1CCC(C(=O)[O-])CC1 ZINC000091303908 180130627 /nfs/dbraw/zinc/13/06/27/180130627.db2.gz IJTQIFFGXVRWSA-UHFFFAOYSA-N -1 0 257.330 2.497 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1cccc2c1-c1ccccc1C2=O ZINC000031629125 304024141 /nfs/dbraw/zinc/02/41/41/304024141.db2.gz MTJNOPNRCBONSQ-HJWRWDBZSA-N -1 0 293.278 2.477 40 0 in-vitro CEABRM O=C([O-])CCc1cc(Br)cc2c1OCC2 ZINC000132992964 366185846 /nfs/dbraw/zinc/18/58/46/366185846.db2.gz GAMHVSOGYKAKQU-UHFFFAOYSA-N -1 0 271.110 2.401 40 0 CEABRM O=C([O-])[C@H](NC(=O)OCc1ccccc1)c1ccccn1 ZINC000224683757 540168654 /nfs/dbraw/zinc/16/86/54/540168654.db2.gz JQTFSPKCNALZLO-CYBMUJFWSA-N -1 0 286.287 2.134 40 0 CEABRM O=C([O-])C12CCC(I)(CC1)C2 ZINC000197167928 540308873 /nfs/dbraw/zinc/30/88/73/540308873.db2.gz KVGKFCZHGQKDBT-UHFFFAOYSA-N -1 0 266.078 2.209 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](CSCC(=O)[O-])C1 ZINC000079392082 363593919 /nfs/dbraw/zinc/59/39/19/363593919.db2.gz RZBIKYBUPJHHQX-VIFPVBQESA-N -1 0 275.370 2.061 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C(C)C ZINC000000569653 361187044 /nfs/dbraw/zinc/18/70/44/361187044.db2.gz DBUIKTRPKWMVGF-UHFFFAOYSA-N -1 0 280.349 2.162 40 0 CEABRM CC(=O)Nc1cccc2ccc(S(=O)(=O)[O-])cc21 ZINC000001669750 361214784 /nfs/dbraw/zinc/21/47/84/361214784.db2.gz IHAUFFPRNZQYJZ-UHFFFAOYSA-N -1 0 265.290 2.045 40 0 CEABRM O=S(=O)([O-])[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001681762 361217612 /nfs/dbraw/zinc/21/76/12/361217612.db2.gz ZUZCEPDMQCVPET-UONOGXRCSA-N -1 0 278.329 2.349 40 0 in-vitro CEABRM CCCCCC(=O)Nc1cc(N)cc(C(=O)[O-])c1 ZINC000001706888 361218846 /nfs/dbraw/zinc/21/88/46/361218846.db2.gz PQUCYLHLDMZGGY-UHFFFAOYSA-N -1 0 250.298 2.486 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccco2)C1 ZINC000004241731 361306543 /nfs/dbraw/zinc/30/65/43/361306543.db2.gz SDSRKQPMFMWNJA-NXEZZACHSA-N -1 0 281.308 2.315 40 0 CEABRM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013058933 361417698 /nfs/dbraw/zinc/41/76/98/361417698.db2.gz JQEHNLDJCJHUGI-UHFFFAOYSA-N -1 0 291.328 2.115 40 0 CEABRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 ZINC000022238999 361588496 /nfs/dbraw/zinc/58/84/96/361588496.db2.gz UEZVHKAMOANQJQ-HNNXBMFYSA-N -1 0 297.310 2.108 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000244485166 370792589 /nfs/dbraw/zinc/79/25/89/370792589.db2.gz ZJMGPHBJVYOSPL-UHFFFAOYSA-N -1 0 252.339 2.470 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC1CCCCCC1 ZINC000169619752 304155580 /nfs/dbraw/zinc/15/55/80/304155580.db2.gz YQOYDGKIUYUEBF-UZGDPCLZSA-N -1 0 277.364 2.348 40 0 CEABRM CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000225649649 370309476 /nfs/dbraw/zinc/30/94/76/370309476.db2.gz JHGWAVLEENZXKD-OAHLLOKOSA-N -1 0 295.335 2.294 40 0 CEABRM C[C@H](CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H]1C)C(=O)[O-] ZINC000248274598 371173132 /nfs/dbraw/zinc/17/31/32/371173132.db2.gz RMMAAUYRERZOAK-FPVZYODXSA-N -1 0 272.385 2.426 40 0 biogenic,in-vitro CEABRM CCCn1cc(C(=O)[O-])c(NC(=O)c2ccc(F)s2)n1 ZINC000252503262 371448504 /nfs/dbraw/zinc/44/85/04/371448504.db2.gz VAMSBWRJKFJBOK-UHFFFAOYSA-N -1 0 297.311 2.444 40 0 CEABRM O=C([O-])[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000019517589 304172607 /nfs/dbraw/zinc/17/26/07/304172607.db2.gz WFEFMIVPBQYUKA-QWHCGFSZSA-N -1 0 259.305 2.285 40 0 CEABRM O=C([O-])CCn1ncc(Br)c1C(F)F ZINC000408716299 375516062 /nfs/dbraw/zinc/51/60/62/375516062.db2.gz LDFKLMXOGRHPNK-UHFFFAOYSA-N -1 0 269.045 2.058 40 0 CEABRM C[C@H](Cn1ncc(Br)c1C(F)F)C(=O)[O-] ZINC000408717070 375516174 /nfs/dbraw/zinc/51/61/74/375516174.db2.gz VMILMDNVBBASDZ-SCSAIBSYSA-N -1 0 283.072 2.304 40 0 CEABRM O=C([O-])[C@H]1[C@H]2[C@@H]1CC[C@@]21CC(=O)c2ccccc2O1 ZINC000035360889 304212315 /nfs/dbraw/zinc/21/23/15/304212315.db2.gz FDMKGLZLQXLPDB-QGMIFYJMSA-N -1 0 258.273 2.131 40 0 CEABRM Cc1c(C(=O)[O-])oc2c1[C@@H](O)C[C@@H](C(F)(F)F)C2 ZINC000085399152 394642591 /nfs/dbraw/zinc/64/25/91/394642591.db2.gz QPUBEALPXBHHKG-RITPCOANSA-N -1 0 264.199 2.444 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(C(F)F)cc1 ZINC000096517631 394694930 /nfs/dbraw/zinc/69/49/30/394694930.db2.gz BUZKWJITFDRRLY-SNVBAGLBSA-N -1 0 269.247 2.200 40 0 CEABRM CCC(=C([O-])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096518028 394695057 /nfs/dbraw/zinc/69/50/57/394695057.db2.gz KRRLZLMMCCNJSP-SNVBAGLBSA-N -1 0 260.742 2.346 40 0 CEABRM CC(C)Oc1cccc(C2=NO[C@@](C)(C(=O)[O-])C2)c1 ZINC000096525940 394697138 /nfs/dbraw/zinc/69/71/38/394697138.db2.gz BSZFZDHNUYBYNL-CQSZACIVSA-N -1 0 263.293 2.442 40 0 CEABRM C[C@H]1CC[C@@H]2C(C(=O)[O-])=C[C@H]3[C@@H](O)C(C)(C)C[C@@]312 ZINC000035465675 300046404 /nfs/dbraw/zinc/04/64/04/300046404.db2.gz WBLTVUMJMJIOGQ-ZGWNKZGNSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM COc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c(F)c1 ZINC000234948236 153429223 /nfs/dbraw/zinc/42/92/23/153429223.db2.gz ZGFJGKFVPONGKP-NOZJJQNGSA-N -1 0 295.310 2.160 40 0 CEABRM C[C@H]1CCCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000015424057 299770381 /nfs/dbraw/zinc/77/03/81/299770381.db2.gz NZSATVHHCIJKCH-QMMMGPOBSA-N -1 0 289.378 2.009 40 0 CEABRM Cc1cc2oc(=O)cc(C)c2cc1O[C@@H](C)C(=O)[O-] ZINC000006501371 170207720 /nfs/dbraw/zinc/20/77/20/170207720.db2.gz PSQPODQEYLZZKW-VIFPVBQESA-N -1 0 262.261 2.262 40 0 CEABRM C[C@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])CC1=O ZINC000042340627 174691380 /nfs/dbraw/zinc/69/13/80/174691380.db2.gz WASXNRJTQTZWRN-PSASIEDQSA-N -1 0 267.712 2.334 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)[C@H](c2ccccc2OC(F)F)C1 ZINC000057328294 175592283 /nfs/dbraw/zinc/59/22/83/175592283.db2.gz LYWKYIFGEGQUSN-CBAPKCEASA-N -1 0 270.231 2.435 40 0 CEABRM CCCCOc1ccc(C2=NO[C@H](C(=O)[O-])C2)cc1 ZINC000071980976 176307784 /nfs/dbraw/zinc/30/77/84/176307784.db2.gz HDQNNMGTIVCIDE-ZDUSSCGKSA-N -1 0 263.293 2.443 40 0 CEABRM CC(=O)N1[C@@H](c2cccc(C)c2)SC[C@@H]1C(=O)[O-] ZINC000000355966 278075348 /nfs/dbraw/zinc/07/53/48/278075348.db2.gz NSPMXKUWUQZFIF-VXGBXAGGSA-N -1 0 265.334 2.042 40 0 CEABRM CC(C)(C)OC(=O)C[C@]1(C)N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000001707400 278377100 /nfs/dbraw/zinc/37/71/00/278377100.db2.gz UDRAPPYUWMHIHM-TVQRCGJNSA-N -1 0 289.397 2.003 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H]2C(=O)[O-])C1 ZINC000306145486 278397199 /nfs/dbraw/zinc/39/71/99/278397199.db2.gz GQGNNAJDLFBKIP-HZMBPMFUSA-N -1 0 269.341 2.498 40 0 CEABRM CN(C)[C@H](OCCCC(=O)[O-])C(Cl)(Cl)Cl ZINC000001557956 289367707 /nfs/dbraw/zinc/36/77/07/289367707.db2.gz ANQBXBOZQNFSLW-SSDOTTSWSA-N -1 0 278.563 2.126 40 0 CEABRM O=C([O-])c1cccn(CCCc2ccc(F)cc2)c1=O ZINC000225791816 333182313 /nfs/dbraw/zinc/18/23/13/333182313.db2.gz MRKSMUGETJSVBT-UHFFFAOYSA-N -1 0 275.279 2.318 40 0 CEABRM COc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c(F)c1 ZINC000234949562 523639663 /nfs/dbraw/zinc/63/96/63/523639663.db2.gz ZGFJGKFVPONGKP-TVQRCGJNSA-N -1 0 295.310 2.160 40 0 CEABRM Cc1nn2c(nc(C3CC3)cc2C(=O)[O-])c1Br ZINC000036615729 361848375 /nfs/dbraw/zinc/84/83/75/361848375.db2.gz ZARKFPBNIZZNKT-UHFFFAOYSA-N -1 0 296.124 2.376 40 0 CEABRM CC(C)c1nnc(COc2ccc(C(=O)[O-])cc2)o1 ZINC000015418547 343369448 /nfs/dbraw/zinc/36/94/48/343369448.db2.gz BJJSQEOSEVVCSI-UHFFFAOYSA-N -1 0 262.265 2.470 40 0 CEABRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccoc1 ZINC000033593643 343417820 /nfs/dbraw/zinc/41/78/20/343417820.db2.gz JGWQDDGDAKHBQK-IZZDOVSWSA-N -1 0 286.243 2.375 40 0 CEABRM O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000033908162 343418355 /nfs/dbraw/zinc/41/83/55/343418355.db2.gz KXLJHGDTICKFAU-YFHOEESVSA-N -1 0 299.242 2.035 40 0 CEABRM CCOc1c(OC)cc(Cl)cc1OCC(=O)[O-] ZINC000409443218 344890162 /nfs/dbraw/zinc/89/01/62/344890162.db2.gz JEUZRSAZUGVCTG-UHFFFAOYSA-N -1 0 260.673 2.211 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)CC(=O)[O-] ZINC000059723571 362650829 /nfs/dbraw/zinc/65/08/29/362650829.db2.gz GDZQCMQJVJLGRE-AAEUAGOBSA-N -1 0 295.335 2.088 40 0 CEABRM CSc1nc(CC(=O)[O-])cc(N2CCC(C)CC2)n1 ZINC000225010624 136584772 /nfs/dbraw/zinc/58/47/72/136584772.db2.gz KGEDYUFUADWDBL-UHFFFAOYSA-N -1 0 281.381 2.062 40 0 CEABRM Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000000192316 361143967 /nfs/dbraw/zinc/14/39/67/361143967.db2.gz OXHUPWPUYMDCTL-XWUBHJNHSA-N -1 0 271.316 2.456 40 0 CEABRM O=S(=O)([O-])O[C@@H]1CCCC[C@H]1Nc1ccccc1 ZINC000001711763 361218974 /nfs/dbraw/zinc/21/89/74/361218974.db2.gz OWOGFSMTAPRCJP-VXGBXAGGSA-N -1 0 271.338 2.229 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)[O-])C1 ZINC000016697108 361497034 /nfs/dbraw/zinc/49/70/34/361497034.db2.gz UZJNJAMJSKLINB-JYESYGNLSA-N -1 0 255.314 2.274 40 0 CEABRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000001621339 304107099 /nfs/dbraw/zinc/10/70/99/304107099.db2.gz BERSTTUHHVIHQK-VHSXEESVSA-N -1 0 287.319 2.392 40 0 in-vitro CEABRM Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)[O-])=C(C)N2 ZINC000020427124 361583788 /nfs/dbraw/zinc/58/37/88/361583788.db2.gz UYGVZJCQROHSCM-GFCCVEGCSA-N -1 0 288.282 2.099 40 0 CEABRM CCCCSc1nnc(NC(=O)CCC(=O)[O-])s1 ZINC000026438979 361639813 /nfs/dbraw/zinc/63/98/13/361639813.db2.gz NLQRREBWMAQADT-UHFFFAOYSA-N -1 0 289.382 2.234 40 0 CEABRM COc1cc(/C(C)=C/[C@H](C)CC(=O)[O-])oc(=O)c1C ZINC000031160856 361709550 /nfs/dbraw/zinc/70/95/50/361709550.db2.gz MPAYQRIVOSEDQH-MOIHINDBSA-N -1 0 266.293 2.471 40 0 biogenic,in-vitro CEABRM C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)c1cscn1 ZINC000090411757 364057092 /nfs/dbraw/zinc/05/70/92/364057092.db2.gz ZJRFCFJPENSXKC-ZETCQYMHSA-N -1 0 272.326 2.358 40 0 CEABRM COc1cc(C(=O)[O-])n(-c2ccc(Br)cc2)n1 ZINC000218292331 370208593 /nfs/dbraw/zinc/20/85/93/370208593.db2.gz SUIJPSFEDZFMSF-UHFFFAOYSA-N -1 0 297.108 2.342 40 0 CEABRM COc1ccc(C)cc1C[C@@H](OC(C)C)C(=O)[O-] ZINC000225119236 370285596 /nfs/dbraw/zinc/28/55/96/370285596.db2.gz UBWKKFLQJVNSPX-CYBMUJFWSA-N -1 0 252.310 2.424 40 0 CEABRM CCO[C@H](Cc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000225124379 370285653 /nfs/dbraw/zinc/28/56/53/370285653.db2.gz UGSMWULYIWTDPO-LLVKDONJSA-N -1 0 258.701 2.381 40 0 CEABRM COc1ccc(C[C@H](OCC(C)C)C(=O)[O-])cc1 ZINC000225103436 370285743 /nfs/dbraw/zinc/28/57/43/370285743.db2.gz VUEMADZQJBSABS-ZDUSSCGKSA-N -1 0 252.310 2.364 40 0 CEABRM O=C([O-])c1ccc(NC(=S)NCc2ccco2)cc1 ZINC000000419887 169635999 /nfs/dbraw/zinc/63/59/99/169635999.db2.gz HHFFYSFLVHDNPF-UHFFFAOYSA-N -1 0 276.317 2.464 40 0 CEABRM CO[C@H](C(=O)[O-])c1cc(Br)cs1 ZINC000072417696 256702761 /nfs/dbraw/zinc/70/27/61/256702761.db2.gz DWWDRLKRKNWXDD-LURJTMIESA-N -1 0 251.101 2.283 40 0 CEABRM O=C([O-])c1ccn(Cc2ccc(F)c(Cl)c2)n1 ZINC000231057363 256785101 /nfs/dbraw/zinc/78/51/01/256785101.db2.gz YMTSSCVANRGBKD-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM O=C([O-])c1coc2c1[C@@H](O)C[C@H](C(F)(F)F)C2 ZINC000085399210 304281855 /nfs/dbraw/zinc/28/18/55/304281855.db2.gz VOTQTWQZMGNCGI-NJGYIYPDSA-N -1 0 250.172 2.136 40 0 CEABRM O=C([O-])c1nn(-c2ccc(Cl)cc2)nc1Cl ZINC000089262253 304284380 /nfs/dbraw/zinc/28/43/80/304284380.db2.gz ASVJEUKTUCHQJC-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])c1nn(-c2ccccc2F)nc1C(F)(F)F ZINC000089263409 304284683 /nfs/dbraw/zinc/28/46/83/304284683.db2.gz PFXYAVZTBVFOPL-UHFFFAOYSA-N -1 0 275.161 2.123 40 0 CEABRM Cc1c(C(=O)[O-])oc2c1[C@H](O)C[C@@H](C(F)(F)F)C2 ZINC000085399158 394642678 /nfs/dbraw/zinc/64/26/78/394642678.db2.gz QPUBEALPXBHHKG-PHDIDXHHSA-N -1 0 264.199 2.444 40 0 CEABRM O=C([O-])c1ccn(-c2nc(C3CC3)nc3c2CCCC3)n1 ZINC000096517415 394695162 /nfs/dbraw/zinc/69/51/62/394695162.db2.gz FGMFUOKULOFENI-UHFFFAOYSA-N -1 0 284.319 2.117 40 0 CEABRM O=C([O-])COc1noc2ccc(Br)cc21 ZINC000096529668 394697057 /nfs/dbraw/zinc/69/70/57/394697057.db2.gz FILAUJNJVWSASY-UHFFFAOYSA-N -1 0 272.054 2.054 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@@H](c1ccc(F)cc1)C2 ZINC000096530372 394697996 /nfs/dbraw/zinc/69/79/96/394697996.db2.gz ZXLYKKGHKJWLLT-LLVKDONJSA-N -1 0 275.283 2.450 40 0 CEABRM CC[C@@H](C(=O)[O-])N(CC)c1cc(OC)ccc1OC ZINC000225000896 286746717 /nfs/dbraw/zinc/74/67/17/286746717.db2.gz YLMITDSBOPATFR-NSHDSACASA-N -1 0 267.325 2.393 40 0 CEABRM C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000017986788 300075790 /nfs/dbraw/zinc/07/57/90/300075790.db2.gz KMRLXCQUQIMDDQ-ZWKOPEQDSA-N -1 0 287.315 2.310 40 0 CEABRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000003166473 169863796 /nfs/dbraw/zinc/86/37/96/169863796.db2.gz WEPYFJDUOXPKEV-VIFPVBQESA-N -1 0 275.226 2.130 40 0 CEABRM CCn1c(COc2ccccc2)nnc1SCC(=O)[O-] ZINC000005027224 170057781 /nfs/dbraw/zinc/05/77/81/170057781.db2.gz IAKGYQQDDVBPEO-UHFFFAOYSA-N -1 0 293.348 2.054 40 0 CEABRM C[C@@H](Sc1nc2ccc(N)cc2s1)C(=O)[O-] ZINC000005336154 170087041 /nfs/dbraw/zinc/08/70/41/170087041.db2.gz ARKNWDAYQMCMGG-RXMQYKEDSA-N -1 0 254.336 2.444 40 0 CEABRM COc1cc(OC)cc(/C(Cl)=C/[P@@](=O)([O-])O)c1 ZINC000005512168 170106265 /nfs/dbraw/zinc/10/62/65/170106265.db2.gz VZSNXGWHEOLOME-POHAHGRESA-N -1 0 278.628 2.419 40 0 CEABRM COc1ccc([C@H](C(=O)[O-])c2ccc(N)cc2)cc1 ZINC000005550165 170112159 /nfs/dbraw/zinc/11/21/59/170112159.db2.gz NOAPWFPEIMMORP-CQSZACIVSA-N -1 0 257.289 2.494 40 0 CEABRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005889224 170151036 /nfs/dbraw/zinc/15/10/36/170151036.db2.gz ZAWUKQCLEWGNRF-UHFFFAOYSA-N -1 0 287.344 2.374 40 0 CEABRM CCc1cc(-c2c([O-])c3ccccc3n(C)c2=O)no1 ZINC000006359106 170195307 /nfs/dbraw/zinc/19/53/07/170195307.db2.gz ZHFBSARGMVDIRI-UHFFFAOYSA-N -1 0 270.288 2.462 40 0 CEABRM O=C([O-])CCCc1nc(-c2ccccc2F)no1 ZINC000017087035 170725210 /nfs/dbraw/zinc/72/52/10/170725210.db2.gz UMUTVMLQXZKDHE-UHFFFAOYSA-N -1 0 250.229 2.283 40 0 CEABRM CCc1ccc(CNc2cnn(C)c2C(=O)[O-])cc1 ZINC000020353959 171156694 /nfs/dbraw/zinc/15/66/94/171156694.db2.gz BIIARXUGYHKYKR-UHFFFAOYSA-N -1 0 259.309 2.293 40 0 CEABRM CCCn1c2nnc([S-])n2c2ccc(Cl)cc2c1=O ZINC000021657873 171318319 /nfs/dbraw/zinc/31/83/19/171318319.db2.gz HXJVZTMGWRDKKD-UHFFFAOYSA-N -1 0 294.767 2.396 40 0 CEABRM CCCOc1ccccc1-c1nc(N)c(N=O)c(=O)[n-]1 ZINC000022048645 171350714 /nfs/dbraw/zinc/35/07/14/171350714.db2.gz QSSCXFWTBFEVMQ-UHFFFAOYSA-N -1 0 274.280 2.206 40 0 in-vitro CEABRM O=C([O-])[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000037359343 173149639 /nfs/dbraw/zinc/14/96/39/173149639.db2.gz UFNVWPMUGLEMSR-NSHDSACASA-N -1 0 289.253 2.163 40 0 CEABRM CC(C)c1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1 ZINC000037411834 173188532 /nfs/dbraw/zinc/18/85/32/173188532.db2.gz ZTYDUHMPWXMFTP-VMPITWQZSA-N -1 0 261.321 2.414 40 0 CEABRM Cc1cc(CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])on1 ZINC000585143172 414821319 /nfs/dbraw/zinc/82/13/19/414821319.db2.gz DUPPUSORZMKJJM-NSHDSACASA-N -1 0 298.339 2.284 40 0 CEABRM CCc1cc(C)n(Cc2ccc(C(=O)OC)o2)c1C(=O)[O-] ZINC000078405401 177338672 /nfs/dbraw/zinc/33/86/72/177338672.db2.gz HXSGSGJASLHNSB-UHFFFAOYSA-N -1 0 291.303 2.485 40 0 CEABRM CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000034131314 278378016 /nfs/dbraw/zinc/37/80/16/278378016.db2.gz RRRWAYWNXBSUFV-UDNWOFFPSA-N -1 0 255.314 2.249 40 0 CEABRM CC(C)c1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016787104 280614236 /nfs/dbraw/zinc/61/42/36/280614236.db2.gz HHNCOUNXKSJNIL-AWEZNQCLSA-N -1 0 263.337 2.268 40 0 CEABRM Cc1cc2[nH]c(C)c3cc(CC(=O)[O-])c(=O)n-3c2cc1C ZINC000408972555 301434547 /nfs/dbraw/zinc/43/45/47/301434547.db2.gz DRXRKYZWBBMMQN-UHFFFAOYSA-N -1 0 284.315 2.309 40 0 CEABRM Cc1nc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc1C ZINC000004652290 302608716 /nfs/dbraw/zinc/60/87/16/302608716.db2.gz PJNCHGLKENCWNV-YTWAJWBKSA-N -1 0 292.360 2.221 40 0 CEABRM CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)CC)N1 ZINC000408738038 567861134 /nfs/dbraw/zinc/86/11/34/567861134.db2.gz IFUXUZRBPXHXAE-JTQLQIEISA-N -1 0 266.263 2.426 40 0 CEABRM CCc1ccccc1N1C(=O)S[C@H](CC(=O)[O-])C1=O ZINC000036635202 361849736 /nfs/dbraw/zinc/84/97/36/361849736.db2.gz MURNYJAHMPUCPU-SNVBAGLBSA-N -1 0 279.317 2.292 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 ZINC000045954064 362171908 /nfs/dbraw/zinc/17/19/08/362171908.db2.gz VHZUHZMTYRSOQB-GFCCVEGCSA-N -1 0 288.347 2.114 40 0 CEABRM CCOC(=O)C(C(=O)OCC)=C([O-])c1ccc(Cl)cc1 ZINC000043502024 343464679 /nfs/dbraw/zinc/46/46/79/343464679.db2.gz QFLKBPMGYAEHIS-UHFFFAOYSA-N -1 0 298.722 2.265 40 0 CEABRM O=C([O-])Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000049877238 362381758 /nfs/dbraw/zinc/38/17/58/362381758.db2.gz XILAVMKOFFFUIK-UHFFFAOYSA-N -1 0 281.109 2.397 40 0 CEABRM CCOc1cc(Cl)cc(OCC(=O)[O-])c1OC ZINC000409442821 344890136 /nfs/dbraw/zinc/89/01/36/344890136.db2.gz BFQYXEYUBLITSW-UHFFFAOYSA-N -1 0 260.673 2.211 40 0 CEABRM CC(C)(C)c1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000058037842 362606209 /nfs/dbraw/zinc/60/62/09/362606209.db2.gz TUAWYVIEJJOVJF-UHFFFAOYSA-N -1 0 272.304 2.433 40 0 CEABRM COc1ccc2ccccc2c1/C=C1\NC(=O)[N-]C1=O ZINC000059281986 362648170 /nfs/dbraw/zinc/64/81/70/362648170.db2.gz GLPYGDDWGHJBCG-WQLSENKSSA-N -1 0 268.272 2.029 40 0 CEABRM CCc1ccc2nc(N3CC(C(=O)[O-])C3)sc2c1 ZINC000061957917 362700204 /nfs/dbraw/zinc/70/02/04/362700204.db2.gz XHBYDGRJJAQGSN-UHFFFAOYSA-N -1 0 262.334 2.380 40 0 CEABRM O=C([O-])CC1CCN(C(=O)c2ccsc2)CC1 ZINC000110301795 186290268 /nfs/dbraw/zinc/29/02/68/186290268.db2.gz OIDWAXCFWQDKDN-UHFFFAOYSA-N -1 0 253.323 2.075 40 0 CEABRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1nccc2ccccc21 ZINC000070524111 363092578 /nfs/dbraw/zinc/09/25/78/363092578.db2.gz CSTIJJSBOPODGD-CHWSQXEVSA-N -1 0 284.315 2.218 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1C[C@H]1C(=O)[O-] ZINC000242543281 540423691 /nfs/dbraw/zinc/42/36/91/540423691.db2.gz JVGKKFAANDQUHO-IVZWLZJFSA-N -1 0 255.314 2.107 40 0 CEABRM CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)[O-] ZINC000001668560 361215184 /nfs/dbraw/zinc/21/51/84/361215184.db2.gz WYSWPXYFHDNPOF-LBPRGKRZSA-N -1 0 299.754 2.334 40 0 CEABRM COc1cc(C(C)=C2SC([O-])=NC2=O)ccc1O ZINC000001701065 361218174 /nfs/dbraw/zinc/21/81/74/361218174.db2.gz QTSWNCGEBDGOSF-POHAHGRESA-N -1 0 265.290 2.115 40 0 CEABRM O=C([O-])[C@H]1CC(=O)c2c(Cl)cc(Cl)cc2N1 ZINC000013455120 361427814 /nfs/dbraw/zinc/42/78/14/361427814.db2.gz SJRYDRWHNWQNOU-SSDOTTSWSA-N -1 0 260.076 2.445 40 0 CEABRM COc1ccc(-c2n[n-]c(NCc3ccco3)nc2=O)cc1 ZINC000016047227 361483420 /nfs/dbraw/zinc/48/34/20/361483420.db2.gz OTGWQNZPLPOGHS-UHFFFAOYSA-N -1 0 298.302 2.046 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2cccc(F)c2)c1=O ZINC000016769688 361498315 /nfs/dbraw/zinc/49/83/15/361498315.db2.gz OZOZGOWBKCTOJZ-UHFFFAOYSA-N -1 0 261.252 2.193 40 0 CEABRM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[O-])nc1 ZINC000098210073 364536932 /nfs/dbraw/zinc/53/69/32/364536932.db2.gz FPERASUDPDOSIT-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM CCc1c(C)[n-]n2c1nc(COc1ccccn1)cc2=O ZINC000100231160 364542355 /nfs/dbraw/zinc/54/23/55/364542355.db2.gz WHXONVIPWYINOC-UHFFFAOYSA-N -1 0 284.319 2.280 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000101291365 364555454 /nfs/dbraw/zinc/55/54/54/364555454.db2.gz IFJRKZCHMSSLGN-XEGUGMAKSA-N -1 0 291.347 2.468 40 0 CEABRM O=C([O-])[C@@H]1CCn2cc(C(=O)c3ccccc3)cc21 ZINC000067665126 304129613 /nfs/dbraw/zinc/12/96/13/304129613.db2.gz DJZUDKBHTXZJRO-GFCCVEGCSA-N -1 0 255.273 2.291 40 0 in-vitro CEABRM O=C([O-])[C@@H]1CS[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000002750027 304137712 /nfs/dbraw/zinc/13/77/12/304137712.db2.gz SDVSAMONKPNWEC-KOWFMYAASA-N -1 0 299.220 2.170 40 0 CEABRM O=C([O-])/C=C/NC(=O)Nc1ccc(Br)cc1 ZINC000222696317 370257111 /nfs/dbraw/zinc/25/71/11/370257111.db2.gz RSBNBVOXEQLFQK-AATRIKPKSA-N -1 0 285.097 2.169 40 0 CEABRM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccco2)N1 ZINC000003153900 304206068 /nfs/dbraw/zinc/20/60/68/304206068.db2.gz ZAOCCYZFRAVVGT-DOMZBBRYSA-N -1 0 282.299 2.449 40 0 CEABRM O=C([O-])c1cc(F)c(OC2CCOCC2)c(F)c1 ZINC000063004023 304224905 /nfs/dbraw/zinc/22/49/05/304224905.db2.gz SZLUDKLZKJXPRU-UHFFFAOYSA-N -1 0 258.220 2.221 40 0 CEABRM C/C=C/CN1C(=O)CCc2cc(OCC(=O)[O-])ccc21 ZINC000218785320 130770423 /nfs/dbraw/zinc/77/04/23/130770423.db2.gz SODDFMGWZVRPHO-NSCUHMNNSA-N -1 0 275.304 2.005 40 0 CEABRM CC(=C1c2ccccc2-c2n[nH]c(C)c21)S(=O)(=O)[O-] ZINC000005503864 394457888 /nfs/dbraw/zinc/45/78/88/394457888.db2.gz HDHHMFRPGJMFHJ-XYOKQWHBSA-N -1 0 276.317 2.366 40 0 CEABRM CC(C)C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000013577164 394464991 /nfs/dbraw/zinc/46/49/91/394464991.db2.gz DDYBXINYRTUYJT-QJPTWQEYSA-N -1 0 270.373 2.364 40 0 CEABRM O=C([O-])CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O ZINC000033558946 394492429 /nfs/dbraw/zinc/49/24/29/394492429.db2.gz VHGGHBSQNNETEK-WEVVVXLNSA-N -1 0 297.719 2.461 40 0 CEABRM CC1(C)c2cc(Cl)ccc2N(CCC(=O)[O-])C1=O ZINC000062711069 394569600 /nfs/dbraw/zinc/56/96/00/394569600.db2.gz KZXBGNNFGJECDD-UHFFFAOYSA-N -1 0 267.712 2.439 40 0 CEABRM CC(C)Oc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000085394673 394642849 /nfs/dbraw/zinc/64/28/49/394642849.db2.gz SPVVCNOFOVOIBN-AAEUAGOBSA-N -1 0 264.277 2.163 40 0 CEABRM CCCOc1[n-]nc(C(=O)OCC)c1Br ZINC000096509308 394693391 /nfs/dbraw/zinc/69/33/91/394693391.db2.gz VTBLTHHYTNNQAE-UHFFFAOYSA-N -1 0 277.118 2.138 40 0 CEABRM O=C([O-])[C@H]1CCN(c2cc(-c3ccccc3)ncn2)C1 ZINC000096516858 394694206 /nfs/dbraw/zinc/69/42/06/394694206.db2.gz QWHIQRMKJDTAIU-LBPRGKRZSA-N -1 0 269.304 2.055 40 0 CEABRM CCN(CC)c1ncc(C(=O)[O-])c(-c2cccnc2)n1 ZINC000096517136 394694437 /nfs/dbraw/zinc/69/44/37/394694437.db2.gz LLWMVPZLVCHWIF-UHFFFAOYSA-N -1 0 272.308 2.083 40 0 CEABRM CCC(=C([O-])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096518036 394694919 /nfs/dbraw/zinc/69/49/19/394694919.db2.gz HPECESRBQTWGIR-SNVBAGLBSA-N -1 0 260.742 2.346 40 0 CEABRM CCc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1 ZINC000006698812 170227858 /nfs/dbraw/zinc/22/78/58/170227858.db2.gz URSPNXKDALRRBJ-RQJABVFESA-N -1 0 289.331 2.066 40 0 CEABRM COc1ccc(Cl)cc1-c1cc(C(=O)[O-])n[nH]1 ZINC000006848863 170248643 /nfs/dbraw/zinc/24/86/43/170248643.db2.gz RKLGPWSFWRVGBA-UHFFFAOYSA-N -1 0 252.657 2.437 40 0 CEABRM O=C([O-])c1cc(NC(=O)COc2ccccc2)ccc1O ZINC000008189582 170323554 /nfs/dbraw/zinc/32/35/54/170323554.db2.gz VBTNSLIGJAYQIX-UHFFFAOYSA-N -1 0 287.271 2.108 40 0 CEABRM COc1cccc(C=O)c1OCCCSCC(=O)[O-] ZINC000008731445 170351222 /nfs/dbraw/zinc/35/12/22/170351222.db2.gz WDLCNRIMNYQQTI-UHFFFAOYSA-N -1 0 284.333 2.094 40 0 CEABRM Cc1cc(SCC(=O)[O-])nc2nn(C(C)C)cc21 ZINC000012398885 170485062 /nfs/dbraw/zinc/48/50/62/170485062.db2.gz XUBBLDFPDCZQTD-UHFFFAOYSA-N -1 0 265.338 2.497 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000013119519 170533744 /nfs/dbraw/zinc/53/37/44/170533744.db2.gz BGECMOWJZQPCEC-LJISPDSOSA-N -1 0 287.359 2.092 40 0 CEABRM Cc1cc(C(=O)NCc2occc2C(=O)[O-])c(C)o1 ZINC000032194099 171721117 /nfs/dbraw/zinc/72/11/17/171721117.db2.gz JYEOBSBJCKFWGC-UHFFFAOYSA-N -1 0 263.249 2.118 40 0 CEABRM CCCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000033440836 171801480 /nfs/dbraw/zinc/80/14/80/171801480.db2.gz RTEKDTMEPFRODD-LAHYYIKRSA-N -1 0 277.320 2.078 40 0 CEABRM COc1cc(-c2nocc2C(=O)[O-])cc(OC)c1OC ZINC000071630148 176236181 /nfs/dbraw/zinc/23/61/81/176236181.db2.gz SHBUAJHXYGPLOU-UHFFFAOYSA-N -1 0 279.248 2.066 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000090635756 278418669 /nfs/dbraw/zinc/41/86/69/278418669.db2.gz SFBZDQKMJLUZQF-OPRDCNLKSA-N -1 0 255.314 2.107 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C(=O)[O-])C2 ZINC000044029804 278420405 /nfs/dbraw/zinc/42/04/05/278420405.db2.gz HKXICUDOIXLKLJ-PBINXNQUSA-N -1 0 255.314 2.249 40 0 CEABRM O=C([O-])c1cccn(CCCc2ccccc2F)c1=O ZINC000225791759 326975141 /nfs/dbraw/zinc/97/51/41/326975141.db2.gz JNOXFZSWMGITIC-UHFFFAOYSA-N -1 0 275.279 2.318 40 0 CEABRM CC[C@@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000064875780 523703582 /nfs/dbraw/zinc/70/35/82/523703582.db2.gz SVMIOOPHLDSQLT-AWEZNQCLSA-N -1 0 261.277 2.064 40 0 CEABRM CN1C(=O)C[C@](C)(C(=O)[O-])c2cccc(Cl)c21 ZINC000062712442 523710940 /nfs/dbraw/zinc/71/09/40/523710940.db2.gz OJOMPAKPBFRDRM-LBPRGKRZSA-N -1 0 253.685 2.049 40 0 CEABRM O=C([O-])C[C@H](n1ccc(C(F)F)n1)C(F)(F)F ZINC000685936526 567103843 /nfs/dbraw/zinc/10/38/43/567103843.db2.gz CZVKSYBPBHUFGT-YFKPBYRVSA-N -1 0 258.146 2.399 40 0 CEABRM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])C1CCCC1 ZINC000095750679 185025760 /nfs/dbraw/zinc/02/57/60/185025760.db2.gz QGVWOPZWAMDFGD-JTQLQIEISA-N -1 0 257.330 2.402 40 0 CEABRM O=C(c1cncnc1)c1cc(Br)ccc1[O-] ZINC000032501270 361740168 /nfs/dbraw/zinc/74/01/68/361740168.db2.gz HKGXTDCHLTYOAF-UHFFFAOYSA-N -1 0 279.093 2.176 40 0 CEABRM CCc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000033440688 361778841 /nfs/dbraw/zinc/77/88/41/361778841.db2.gz JFMVYCGITQIXHS-BOLDSZDNSA-N -1 0 275.348 2.488 40 0 CEABRM Cc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000033439487 361779428 /nfs/dbraw/zinc/77/94/28/361779428.db2.gz CBCRHRPELNHQIK-VFNNOXKTSA-N -1 0 261.321 2.234 40 0 CEABRM COc1cccc(Cn2nc(C)c(C(=O)[O-])c2C)c1 ZINC000036778129 361857075 /nfs/dbraw/zinc/85/70/75/361857075.db2.gz AMAZYMFVHJOMNR-UHFFFAOYSA-N -1 0 260.293 2.255 40 0 CEABRM O=C([O-])Cc1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000005491237 343354867 /nfs/dbraw/zinc/35/48/67/343354867.db2.gz ACWIUHUNPRAUSX-UHFFFAOYSA-N -1 0 281.109 2.466 40 0 CEABRM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CC12CCCC2 ZINC000256049560 344647335 /nfs/dbraw/zinc/64/73/35/344647335.db2.gz AKZOJMPKERXPGD-CYBMUJFWSA-N -1 0 255.314 2.299 40 0 CEABRM O=C([O-])[C@H]1CC(=O)[C@@H](c2ccccc2OC(F)F)C1 ZINC000057328303 362577037 /nfs/dbraw/zinc/57/70/37/362577037.db2.gz LYWKYIFGEGQUSN-VXNVDRBHSA-N -1 0 270.231 2.435 40 0 CEABRM CC(C)Oc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000085394669 179049138 /nfs/dbraw/zinc/04/91/38/179049138.db2.gz SPVVCNOFOVOIBN-WCQYABFASA-N -1 0 264.277 2.163 40 0 CEABRM CC(C)[C@H]1CC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000200696385 540315157 /nfs/dbraw/zinc/31/51/57/540315157.db2.gz NRYAJYVASNDZSV-ZJUUUORDSA-N -1 0 257.330 2.495 40 0 CEABRM C=CC(=O)N[C@@H](Cc1cccc(-c2ccco2)c1)C(=O)[O-] ZINC000079670214 363620386 /nfs/dbraw/zinc/62/03/86/363620386.db2.gz VZRVKUZKSZAIGT-ZDUSSCGKSA-N -1 0 285.299 2.245 40 0 CEABRM O=C([O-])[C@@H]1C=Nc2cc(Br)ccc2C1=O ZINC000100248383 304097691 /nfs/dbraw/zinc/09/76/91/304097691.db2.gz ONVGQVPSEWTAJK-SSDOTTSWSA-N -1 0 268.066 2.049 40 0 CEABRM O=S(=O)([N-]C(=S)Nc1ccccc1)c1cccs1 ZINC000000309109 361160746 /nfs/dbraw/zinc/16/07/46/361160746.db2.gz CKSKTBIJGFHYGC-UHFFFAOYSA-N -1 0 298.414 2.423 40 0 CEABRM O=CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000001635779 361213324 /nfs/dbraw/zinc/21/33/24/361213324.db2.gz GKJKRZKRFGEWHR-INIZCTEOSA-N -1 0 299.326 2.007 40 0 CEABRM CN(CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000001647196 361213702 /nfs/dbraw/zinc/21/37/02/361213702.db2.gz BJXLDMRHVAZHAF-UHFFFAOYSA-N -1 0 284.315 2.460 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1F ZINC000003996070 361296137 /nfs/dbraw/zinc/29/61/37/361296137.db2.gz MFNCECIILNXPSI-DTVLGXAZSA-N -1 0 275.279 2.287 40 0 CEABRM Cc1nc2ccccc2c(=O)n1Nc1cccc(C(=O)[O-])c1 ZINC000004298591 361310579 /nfs/dbraw/zinc/31/05/79/361310579.db2.gz XRIZEFOTXKIOMM-UHFFFAOYSA-N -1 0 295.298 2.278 40 0 CEABRM O=C([O-])CSc1ncnc2sc3c(c21)CCC3 ZINC000004535746 361320849 /nfs/dbraw/zinc/32/08/49/361320849.db2.gz ONJKWIFDXTTZGO-UHFFFAOYSA-N -1 0 266.347 2.357 40 0 CEABRM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC000082048401 363750723 /nfs/dbraw/zinc/75/07/23/363750723.db2.gz ANJYNRWSBCRLEP-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM CC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000031976091 361724139 /nfs/dbraw/zinc/72/41/39/361724139.db2.gz MFLIGTLLGYUKOG-UHFFFAOYSA-N -1 0 276.317 2.396 40 0 CEABRM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[O-])cn1 ZINC000085221760 363833142 /nfs/dbraw/zinc/83/31/42/363833142.db2.gz BTHATBXLAQILEJ-UHFFFAOYSA-N -1 0 252.270 2.151 40 0 CEABRM CCN(CC)c1ncnc2sc(C(=O)[O-])cc21 ZINC000217686272 189711651 /nfs/dbraw/zinc/71/16/51/189711651.db2.gz BWGHMKJCSMELGI-UHFFFAOYSA-N -1 0 251.311 2.236 40 0 CEABRM O=C(C1=C(O)C(=C([O-])C(F)(F)F)CCC1)C(F)(F)F ZINC000100036606 296116705 /nfs/dbraw/zinc/11/67/05/296116705.db2.gz BGMWVJKEILRZEL-WHFBIAKZSA-N -1 0 290.159 2.235 40 0 CEABRM CO[C@@H]1CN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC[C@H]1C ZINC000634944087 368980159 /nfs/dbraw/zinc/98/01/59/368980159.db2.gz NLNMJWZORFTLBP-IOASZLSFSA-N -1 0 299.411 2.397 40 0 CEABRM O=C([O-])[C@@H]1[C@H](C(=O)N2CCCCCC2)[C@@H]2CC[C@H]1C2 ZINC000006730004 304159809 /nfs/dbraw/zinc/15/98/09/304159809.db2.gz BDXZQZCHVGCKDL-XQHKEYJVSA-N -1 0 265.353 2.136 40 0 CEABRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2c(cccc2F)[nH]1)C1CC1 ZINC000262575447 371878315 /nfs/dbraw/zinc/87/83/15/371878315.db2.gz DJHNTQCATLCOQE-QMMMGPOBSA-N -1 0 290.294 2.385 40 0 CEABRM COC(=O)C1=C([O-])c2ccc3c(c2CC1)CCCC3 ZINC000002043090 291888671 /nfs/dbraw/zinc/88/86/71/291888671.db2.gz PAMRJLABHPGNRZ-AWEZNQCLSA-N -1 0 258.317 2.484 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000396422174 256687733 /nfs/dbraw/zinc/68/77/33/256687733.db2.gz IRYZLPTYEPXCMO-VXGBXAGGSA-N -1 0 292.335 2.464 40 0 CEABRM CCCCOc1ccccc1/C=C/C(=O)N[C@H](C)C(=O)[O-] ZINC000062714939 256723632 /nfs/dbraw/zinc/72/36/32/256723632.db2.gz RELFXGSABWDNKQ-BZYZDCJZSA-N -1 0 291.347 2.468 40 0 CEABRM CCO/C(=C\c1ccccc1O)c1n[n-]c(=N)s1 ZINC000408718059 260027897 /nfs/dbraw/zinc/02/78/97/260027897.db2.gz GGVMZBWSQZMAQB-YFHOEESVSA-N -1 0 263.322 2.191 40 0 CEABRM CCCN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21 ZINC000218785967 394456647 /nfs/dbraw/zinc/45/66/47/394456647.db2.gz JRYXNHBUIVTMJG-UHFFFAOYSA-N -1 0 277.320 2.229 40 0 CEABRM CCN(CC)c1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000043558060 394504646 /nfs/dbraw/zinc/50/46/46/394504646.db2.gz BFSHJYAZHHBCQX-UHFFFAOYSA-N -1 0 263.219 2.040 40 0 CEABRM Cc1noc(Cc2c(C(=O)[O-])n[nH]c2-c2ccccc2)n1 ZINC000072220424 394594438 /nfs/dbraw/zinc/59/44/38/394594438.db2.gz PISLQPUBQBHLFR-UHFFFAOYSA-N -1 0 284.275 2.057 40 0 CEABRM Cn1nc(C(=O)[O-])c(Cl)c1OCCOc1ccccc1 ZINC000096510763 394693968 /nfs/dbraw/zinc/69/39/68/394693968.db2.gz RSGXCRWQMSMMML-UHFFFAOYSA-N -1 0 296.710 2.230 40 0 CEABRM O=C([O-])c1cn(-c2nc(C3CC3)nc3c2CCCC3)cn1 ZINC000096517366 394694960 /nfs/dbraw/zinc/69/49/60/394694960.db2.gz JENOSVGOWDIYGF-UHFFFAOYSA-N -1 0 284.319 2.117 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@H](c1ccc(OC)cc1)C2 ZINC000096530378 394698358 /nfs/dbraw/zinc/69/83/58/394698358.db2.gz WOQKCWXKSDPHJK-LBPRGKRZSA-N -1 0 287.319 2.319 40 0 CEABRM CS(=O)(=O)Oc1cc(Cl)c([O-])cc1Cl ZINC000001702830 169745322 /nfs/dbraw/zinc/74/53/22/169745322.db2.gz TYXQVSOFBGOUPM-UHFFFAOYSA-N -1 0 257.094 2.037 40 0 CEABRM Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004760051 170012850 /nfs/dbraw/zinc/01/28/50/170012850.db2.gz JIXWTVJWDIUOQC-WVWOOGAGSA-N -1 0 271.316 2.456 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]c2nnc(Cl)s2)cc1 ZINC000004954391 170045373 /nfs/dbraw/zinc/04/53/73/170045373.db2.gz JQSCBLBFCOWVDD-UHFFFAOYSA-N -1 0 289.769 2.301 40 0 CEABRM CCCNc1nc(N)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000005591239 170116929 /nfs/dbraw/zinc/11/69/29/170116929.db2.gz RJCZIQGCKBTBCN-UHFFFAOYSA-N -1 0 279.731 2.302 40 0 CEABRM O=C([O-])CCC(=O)Nc1cccc(Br)c1 ZINC000005671021 170126195 /nfs/dbraw/zinc/12/61/95/170126195.db2.gz AALXDJRXCDUOGA-UHFFFAOYSA-N -1 0 272.098 2.252 40 0 CEABRM Cc1nnc(SCc2ccc(C(=O)[O-])cc2)o1 ZINC000007605248 170293466 /nfs/dbraw/zinc/29/34/66/170293466.db2.gz YIRNLPVEIBUCDT-UHFFFAOYSA-N -1 0 250.279 2.369 40 0 CEABRM COc1cc(OC)cc(-c2ncc(/C=C/C(=O)[O-])cn2)c1 ZINC000008731006 170351042 /nfs/dbraw/zinc/35/10/42/170351042.db2.gz WNMKDOPGIMBLIX-ONEGZZNKSA-N -1 0 286.287 2.259 40 0 CEABRM O=C([O-])c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1O ZINC000020136954 171024346 /nfs/dbraw/zinc/02/43/46/171024346.db2.gz FDAYZSZWFGNALI-UHFFFAOYSA-N -1 0 298.509 2.399 40 0 CEABRM CCCCC(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000020151301 171037701 /nfs/dbraw/zinc/03/77/01/171037701.db2.gz DXEUZPWLIQMRPT-UHFFFAOYSA-N -1 0 296.348 2.094 40 0 CEABRM O=C([O-])c1cnc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O ZINC000022124085 171353849 /nfs/dbraw/zinc/35/38/49/171353849.db2.gz IDMDEFRBBYGITF-UHFFFAOYSA-N -1 0 285.086 2.442 40 0 CEABRM CCOc1cccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000033443456 171802706 /nfs/dbraw/zinc/80/27/06/171802706.db2.gz YBVAPHOVBBQEGR-XVJNWHFHSA-N -1 0 291.347 2.324 40 0 CEABRM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C1CC1 ZINC000038580575 174148056 /nfs/dbraw/zinc/14/80/56/174148056.db2.gz KTNFIIVAHZGIKA-GFCCVEGCSA-N -1 0 263.293 2.166 40 0 CEABRM Cc1cc(CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])on1 ZINC000585143169 414821272 /nfs/dbraw/zinc/82/12/72/414821272.db2.gz DUPPUSORZMKJJM-LLVKDONJSA-N -1 0 298.339 2.284 40 0 CEABRM COc1ccccc1Cn1nc(C)c(C(=O)[O-])c1C ZINC000043457378 175050108 /nfs/dbraw/zinc/05/01/08/175050108.db2.gz QUGHKEUOLPMTTQ-UHFFFAOYSA-N -1 0 260.293 2.255 40 0 CEABRM Cc1ccc(C)c(OCc2ncc(C(=O)[O-])cn2)c1 ZINC000058042351 175606610 /nfs/dbraw/zinc/60/66/10/175606610.db2.gz HRPMASSAIVESLM-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM O=S(=O)(C=C([O-])c1cc(F)ccc1F)C(F)(F)F ZINC000072266193 176352256 /nfs/dbraw/zinc/35/22/56/176352256.db2.gz NDXMJEMCYZEIMG-UHFFFAOYSA-N -1 0 288.193 2.082 40 0 CEABRM CC(C)(C)OC(=O)N1CC2(CC[C@H]2CC(=O)[O-])C1 ZINC000306145622 278380633 /nfs/dbraw/zinc/38/06/33/278380633.db2.gz KTZGWMNXOQYJAK-VIFPVBQESA-N -1 0 255.314 2.108 40 0 CEABRM C[C@@H]1C[C@@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2C(=O)[O-])O1 ZINC000242547886 297314145 /nfs/dbraw/zinc/31/41/45/297314145.db2.gz KXKZVTQSNMTKIP-ZEBDFXRSSA-N -1 0 252.232 2.453 40 0 CEABRM CCO/C(=C\c1ccc(O)c(OC)c1)c1n[n-]c(=N)s1 ZINC000408718461 538775825 /nfs/dbraw/zinc/77/58/25/538775825.db2.gz YSMXAOMDZJXLLU-XFFZJAGNSA-N -1 0 293.348 2.199 40 0 CEABRM CCCn1nc(-c2ccc(F)cc2)cc(C(=O)[O-])c1=O ZINC000082461618 178038413 /nfs/dbraw/zinc/03/84/13/178038413.db2.gz VDPQKBUQZXEACN-UHFFFAOYSA-N -1 0 276.267 2.158 40 0 CEABRM CC1(C)C(=O)Nc2c1cc(C(=O)[O-])cc2Br ZINC000041628268 362043208 /nfs/dbraw/zinc/04/32/08/362043208.db2.gz SSPJMHHVBHXJIG-UHFFFAOYSA-N -1 0 284.109 2.377 40 0 CEABRM C[C@H](c1ccc(Cl)cc1)N1C[C@@H](C(=O)[O-])CC1=O ZINC000042340631 362085239 /nfs/dbraw/zinc/08/52/39/362085239.db2.gz WASXNRJTQTZWRN-SCZZXKLOSA-N -1 0 267.712 2.334 40 0 CEABRM Nc1ccc(Oc2ccccc2)cc1S(=O)(=O)[O-] ZINC000005939139 343355416 /nfs/dbraw/zinc/35/54/16/343355416.db2.gz JIYZGGKWXQPXOF-UHFFFAOYSA-N -1 0 265.290 2.308 40 0 CEABRM Nc1cc(Nc2cccc(C(=O)[O-])c2)nc(C2CC2)n1 ZINC000049467673 362364148 /nfs/dbraw/zinc/36/41/48/362364148.db2.gz CESWTAMXHZOXDT-UHFFFAOYSA-N -1 0 270.292 2.378 40 0 CEABRM O=C([O-])c1cccn(CCc2c[nH]c3ccccc23)c1=O ZINC000049879283 362382595 /nfs/dbraw/zinc/38/25/95/362382595.db2.gz WKIOENDWNKRPCA-UHFFFAOYSA-N -1 0 282.299 2.271 40 0 CEABRM CCN(CC)c1nn(-c2ccccc2C)nc1C(=O)[O-] ZINC000256049060 344646898 /nfs/dbraw/zinc/64/68/98/344646898.db2.gz XYJLSLLCBBEDFS-UHFFFAOYSA-N -1 0 274.324 2.120 40 0 CEABRM CNc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-] ZINC000256048674 344646933 /nfs/dbraw/zinc/64/69/33/344646933.db2.gz VLCCHDFHVQYIBZ-UHFFFAOYSA-N -1 0 286.213 2.026 40 0 CEABRM COc1ccc(C(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000085394417 179049054 /nfs/dbraw/zinc/04/90/54/179049054.db2.gz QYICINRKWVFVPN-UHFFFAOYSA-N -1 0 276.244 2.226 40 0 CEABRM Cc1nn(-c2ccc(F)c(F)c2)c(C)c1CC(=O)[O-] ZINC000085398090 179050509 /nfs/dbraw/zinc/05/05/09/179050509.db2.gz OGVWHGVHIMSADR-UHFFFAOYSA-N -1 0 266.247 2.394 40 0 CEABRM O=C([O-])COc1ccccc1-c1nncn1-c1ccccc1 ZINC000070450780 363082971 /nfs/dbraw/zinc/08/29/71/363082971.db2.gz OTCGUBYTUVJDOL-UHFFFAOYSA-N -1 0 295.298 2.398 40 0 CEABRM CCCCN(CCCC)C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000017024332 282778027 /nfs/dbraw/zinc/77/80/27/282778027.db2.gz DEORFXSAFNFIFY-DGAVXFQQSA-N -1 0 297.395 2.293 40 0 CEABRM COC(=O)C(=C(C)[O-])C(=O)c1ccc(Br)cc1 ZINC000000126569 361132804 /nfs/dbraw/zinc/13/28/04/361132804.db2.gz DDAGPKPTZSVHAO-JTQLQIEISA-N -1 0 299.120 2.010 40 0 CEABRM Cc1ccccc1-c1nnc(SCC(=O)[O-])o1 ZINC000000319315 361161100 /nfs/dbraw/zinc/16/11/00/361161100.db2.gz KYOOQBYBEOWUPJ-UHFFFAOYSA-N -1 0 250.279 2.222 40 0 CEABRM O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000057324 361122448 /nfs/dbraw/zinc/12/24/48/361122448.db2.gz QSMRHXUZHXEHBK-VFNNOXKTSA-N -1 0 285.299 2.105 40 0 CEABRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000004104415 361299854 /nfs/dbraw/zinc/29/98/54/361299854.db2.gz NUKMWUWMUQVTFL-DCAQKATOSA-N -1 0 299.754 2.148 40 0 CEABRM CC1=C(C)CC2(C(=O)NC(=S)NC2=O)[C@@H](C)C1 ZINC000006037330 361335035 /nfs/dbraw/zinc/33/50/35/361335035.db2.gz MPUNOTZOFTXVOA-QMMMGPOBSA-N -1 0 252.339 2.110 40 0 CEABRM CCc1nn2c([n-]1)nc(-c1ccccc1Cl)cc2=O ZINC000010338636 361351024 /nfs/dbraw/zinc/35/10/24/361351024.db2.gz IWYIGPOEMPKZKE-UHFFFAOYSA-N -1 0 274.711 2.300 40 0 CEABRM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)OCO2 ZINC000084657997 363818874 /nfs/dbraw/zinc/81/88/74/363818874.db2.gz HTSJABOLWANPAN-UHFFFAOYSA-N -1 0 270.240 2.345 40 0 CEABRM CC(C)(C)OC(=O)C1=C([O-])N(C(=O)OC(C)(C)C)CC1 ZINC000238099431 370771021 /nfs/dbraw/zinc/77/10/21/370771021.db2.gz QIXUDIGRBAMTIG-VIFPVBQESA-N -1 0 285.340 2.112 40 0 CEABRM Cc1cc(=NC(=O)N2CCC(F)(F)[C@@H](C)C2)[n-]nc1C ZINC000335810897 365014060 /nfs/dbraw/zinc/01/40/60/365014060.db2.gz FMTAAUAZAKLPTD-VIFPVBQESA-N -1 0 284.310 2.024 40 0 CEABRM CO[C@@H]1CN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC[C@@H]1C ZINC000634944090 368979847 /nfs/dbraw/zinc/97/98/47/368979847.db2.gz NLNMJWZORFTLBP-ZENOOKHLSA-N -1 0 299.411 2.397 40 0 CEABRM O=C([O-])Cc1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000217389163 370194763 /nfs/dbraw/zinc/19/47/63/370194763.db2.gz DBBDWJNAJBQURU-UHFFFAOYSA-N -1 0 299.113 2.371 40 0 CEABRM COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)[O-])c1 ZINC000217417412 370195508 /nfs/dbraw/zinc/19/55/08/370195508.db2.gz BIZXJOLLOODDNH-GZZJDILISA-N -1 0 287.315 2.157 40 0 CEABRM C[C@H](Sc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000224974741 370284101 /nfs/dbraw/zinc/28/41/01/370284101.db2.gz UCGHXQCPYUNTRH-LURJTMIESA-N -1 0 267.285 2.176 40 0 CEABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC[C@H]1CCCO1 ZINC000225154899 370287085 /nfs/dbraw/zinc/28/70/85/370287085.db2.gz FQJSONKKHPSLLT-LLVKDONJSA-N -1 0 294.376 2.159 40 0 CEABRM C[C@H](CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@@H]1C)C(=O)[O-] ZINC000225451699 370295830 /nfs/dbraw/zinc/29/58/30/370295830.db2.gz RMMAAUYRERZOAK-FWZIUSJTSA-N -1 0 272.385 2.426 40 0 biogenic,in-vitro CEABRM O=C([O-])[C@@H]1[C@H]2C=C[C@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)Nc1ccccc1 ZINC000217899211 304160367 /nfs/dbraw/zinc/16/03/67/304160367.db2.gz GOPZCQQHIKFWSH-ULXLPNHUSA-N -1 0 283.327 2.394 40 0 CEABRM O=C([O-])c1ccc(COC(=O)c2ccccn2)cc1 ZINC000409216199 375519643 /nfs/dbraw/zinc/51/96/43/375519643.db2.gz IQGWGAZLVLOREM-UHFFFAOYSA-N -1 0 257.245 2.137 40 0 CEABRM C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@@H]21 ZINC000242677043 256697760 /nfs/dbraw/zinc/69/77/60/256697760.db2.gz SWNTYLHTDSLQMT-OKNNCHMLSA-N -1 0 252.232 2.311 40 0 CEABRM O=C([O-])c1nc2c(cccc2F)n1C1CCOCC1 ZINC000255187291 304283569 /nfs/dbraw/zinc/28/35/69/304283569.db2.gz COGNJEAAHAVEKA-UHFFFAOYSA-N -1 0 264.256 2.225 40 0 CEABRM CCCCOc1ccccc1/C=C/C(=O)NCCC(=O)[O-] ZINC000062714946 394570055 /nfs/dbraw/zinc/57/00/55/394570055.db2.gz HJJKCOJIIFDPDX-CMDGGOBGSA-N -1 0 291.347 2.470 40 0 CEABRM CCC(=C([O-])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096518080 394695091 /nfs/dbraw/zinc/69/50/91/394695091.db2.gz GTMZTYNIPUSDOU-GFCCVEGCSA-N -1 0 254.351 2.391 40 0 CEABRM CCCCc1nc(OCC(F)(F)F)cc(C(=O)[O-])n1 ZINC000096524187 394696688 /nfs/dbraw/zinc/69/66/88/394696688.db2.gz SNTJDFAOAIBXLR-UHFFFAOYSA-N -1 0 278.230 2.459 40 0 CEABRM CC(C)[C@@H]1CC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000212517589 400304641 /nfs/dbraw/zinc/30/46/41/400304641.db2.gz NRYAJYVASNDZSV-UWVGGRQHSA-N -1 0 257.330 2.495 40 0 CEABRM Cc1ccc(C)c(NC(=O)CSCC(=O)[O-])c1 ZINC000005018212 170056319 /nfs/dbraw/zinc/05/63/19/170056319.db2.gz NKCQNCQIFZHMNL-UHFFFAOYSA-N -1 0 253.323 2.060 40 0 CEABRM COc1ccc(O[C@H](C)C(=O)[O-])c2c1CCCC2=O ZINC000006442664 170202129 /nfs/dbraw/zinc/20/21/29/170202129.db2.gz LKNCTAJZEKSILD-MRVPVSSYSA-N -1 0 264.277 2.066 40 0 CEABRM COc1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000006699622 170228489 /nfs/dbraw/zinc/22/84/89/170228489.db2.gz YOSJNPWFOUPEQP-OAACRXHESA-N -1 0 289.331 2.381 40 0 CEABRM CCc1nc(SCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000020394459 171180710 /nfs/dbraw/zinc/18/07/10/171180710.db2.gz WVWACQOWAKPLRO-UHFFFAOYSA-N -1 0 263.322 2.358 40 0 CEABRM CCc1nc(SCc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000020394693 171181037 /nfs/dbraw/zinc/18/10/37/171181037.db2.gz GMBWUSIIPBJGPB-UHFFFAOYSA-N -1 0 263.322 2.358 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000044563667 175207881 /nfs/dbraw/zinc/20/78/81/175207881.db2.gz XXGPRVFYTRGXSG-SNVBAGLBSA-N -1 0 266.684 2.053 40 0 CEABRM CCN(CC(=O)[O-])c1cccc(Br)c1 ZINC000076665338 177050650 /nfs/dbraw/zinc/05/06/50/177050650.db2.gz UUWQKQAHCLNFSV-UHFFFAOYSA-N -1 0 258.115 2.360 40 0 CEABRM O=C([O-])c1cccnc1SCc1cn2cccnc2n1 ZINC000016386041 262025078 /nfs/dbraw/zinc/02/50/78/262025078.db2.gz XYNNTOMDNXRORX-UHFFFAOYSA-N -1 0 286.316 2.115 40 0 CEABRM Cc1ccccc1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000028210246 262369764 /nfs/dbraw/zinc/36/97/64/262369764.db2.gz FUSDJDJWCMLMRQ-UHFFFAOYSA-N -1 0 279.299 2.484 40 0 CEABRM CC(C)CC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000570111 278717052 /nfs/dbraw/zinc/71/70/52/278717052.db2.gz IMZLQKYTRXFPQY-UHFFFAOYSA-N -1 0 280.349 2.244 40 0 CEABRM O=C([O-])c1coc(CCNC(=O)OCc2ccccc2)c1 ZINC000217703639 329933430 /nfs/dbraw/zinc/93/34/30/329933430.db2.gz HITYGLANGPDWHY-UHFFFAOYSA-N -1 0 289.287 2.447 40 0 CEABRM CCc1cccc2c(CCOC)c(C(=O)[O-])c(=O)[nH]c12 ZINC000536554693 330365840 /nfs/dbraw/zinc/36/58/40/330365840.db2.gz UCAFJLAOHPPSOK-UHFFFAOYSA-N -1 0 275.304 2.390 40 0 CEABRM CCCn1c2cc(Cl)c(C(=O)NC)cc2nc1C(=O)[O-] ZINC000225730954 333182282 /nfs/dbraw/zinc/18/22/82/333182282.db2.gz KJHRZPDBWXEDRH-UHFFFAOYSA-N -1 0 295.726 2.158 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2cc(Cl)ccc21 ZINC000062718812 527604080 /nfs/dbraw/zinc/60/40/80/527604080.db2.gz ASYWUMWLPMESLM-UHFFFAOYSA-N -1 0 251.669 2.130 40 0 CEABRM CC(C)C[C@H](Oc1nn(C)c2ccccc12)C(=O)[O-] ZINC000225770807 528574854 /nfs/dbraw/zinc/57/48/54/528574854.db2.gz CCORAKFAQKRQON-LBPRGKRZSA-N -1 0 262.309 2.451 40 0 CEABRM CCOC(=O)c1cc(=O)c2c(Br)cccc2[n-]1 ZINC000685937005 538892534 /nfs/dbraw/zinc/89/25/34/538892534.db2.gz GPPFLXXBVBJIOV-UHFFFAOYSA-N -1 0 296.120 2.467 40 0 CEABRM O=C([O-])CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000033440620 361779086 /nfs/dbraw/zinc/77/90/86/361779086.db2.gz DWIYGNHLBIDUHE-DUXPYHPUSA-N -1 0 274.103 2.207 40 0 CEABRM Cc1cccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)c1C ZINC000036635191 361849559 /nfs/dbraw/zinc/84/95/59/361849559.db2.gz DKDBGYGCFZCRAL-JTQLQIEISA-N -1 0 279.317 2.347 40 0 CEABRM C[C@@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@@H]12 ZINC000225760841 344547466 /nfs/dbraw/zinc/54/74/66/344547466.db2.gz SWNTYLHTDSLQMT-QKCLAQEOSA-N -1 0 252.232 2.311 40 0 CEABRM C[C@@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000225760665 344547469 /nfs/dbraw/zinc/54/74/69/344547469.db2.gz KXKZVTQSNMTKIP-QKCLAQEOSA-N -1 0 252.232 2.453 40 0 CEABRM CC1(C)[C@H](NC(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000253188631 344643526 /nfs/dbraw/zinc/64/35/26/344643526.db2.gz XDGTZOCDKSXRRX-VXGBXAGGSA-N -1 0 277.320 2.412 40 0 CEABRM Cc1ccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c(C)c1 ZINC000256047069 344646869 /nfs/dbraw/zinc/64/68/69/344646869.db2.gz KCTLVJMGFYVHRI-UHFFFAOYSA-N -1 0 286.335 2.183 40 0 CEABRM CCCNc1nn(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000256045847 344647062 /nfs/dbraw/zinc/64/70/62/344647062.db2.gz BHSWHAMLGHDVKN-UHFFFAOYSA-N -1 0 280.715 2.441 40 0 CEABRM Cc1nc(Cl)cc(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000409431165 344889114 /nfs/dbraw/zinc/88/91/14/344889114.db2.gz YTNGCMOFAXTZGD-QMMMGPOBSA-N -1 0 257.721 2.350 40 0 CEABRM Cc1c(Br)c(-c2ccccn2)nn1CC(=O)[O-] ZINC000409443318 344890014 /nfs/dbraw/zinc/89/00/14/344890014.db2.gz LDKDTJJSLGHDGV-UHFFFAOYSA-N -1 0 296.124 2.101 40 0 CEABRM CCn1nc(-c2ccccn2)c(Br)c1C(=O)[O-] ZINC000409442919 344890025 /nfs/dbraw/zinc/89/00/25/344890025.db2.gz DEZIWWZWZZIQCJ-UHFFFAOYSA-N -1 0 296.124 2.426 40 0 CEABRM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](C(=O)[O-])[C@H]1C2 ZINC000085386064 179047317 /nfs/dbraw/zinc/04/73/17/179047317.db2.gz MGNFVKFCNXYOMU-JLIMGVALSA-N -1 0 255.314 2.010 40 0 CEABRM CCCOc1cccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c1 ZINC000085394604 179049065 /nfs/dbraw/zinc/04/90/65/179049065.db2.gz KZEHKEFRHLVQHV-AAEUAGOBSA-N -1 0 264.277 2.164 40 0 CEABRM O=C([O-])c1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC000063004034 362742906 /nfs/dbraw/zinc/74/29/06/362742906.db2.gz AMEYIKSIZIDXSV-UHFFFAOYSA-N -1 0 272.247 2.468 40 0 CEABRM N#C[N-]C(=S)SCCSc1nc(Cl)ns1 ZINC000604970497 347437069 /nfs/dbraw/zinc/43/70/69/347437069.db2.gz SZZKSNRJYSLGCW-UHFFFAOYSA-N -1 0 296.855 2.372 40 0 CEABRM CCCCc1c(C)nc2[n-]c(C(F)(F)F)nn2c1=O ZINC000103165421 185813268 /nfs/dbraw/zinc/81/32/68/185813268.db2.gz PPWRLCLETAVBQM-UHFFFAOYSA-N -1 0 274.246 2.087 40 0 CEABRM O=C([O-])Cc1sc2ncnn2c1-c1ccccc1 ZINC000095095778 304090585 /nfs/dbraw/zinc/09/05/85/304090585.db2.gz FTNYEBBTYNQPHQ-UHFFFAOYSA-N -1 0 259.290 2.085 40 0 CEABRM O=C([O-])[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000008699036 304096948 /nfs/dbraw/zinc/09/69/48/304096948.db2.gz RSANTWYIKXJPTO-LLVKDONJSA-N -1 0 289.253 2.163 40 0 CEABRM CC(=O)Nc1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000000973292 361195386 /nfs/dbraw/zinc/19/53/86/361195386.db2.gz ZPYYLQJOYNXWQF-UHFFFAOYSA-N -1 0 262.290 2.467 40 0 CEABRM O=C([O-])C[C@@H]1SC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000001236696 361199538 /nfs/dbraw/zinc/19/95/38/361199538.db2.gz PNIVSAZELOZYJY-VIFPVBQESA-N -1 0 299.735 2.379 40 0 CEABRM O=C(N=C([O-])Nc1cc(F)ccc1F)C(F)(F)F ZINC000001567286 361209269 /nfs/dbraw/zinc/20/92/69/361209269.db2.gz AXMWXBBIHBSMQP-UHFFFAOYSA-N -1 0 268.141 2.175 40 0 CEABRM C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001634822 361213988 /nfs/dbraw/zinc/21/39/88/361213988.db2.gz LKRXXARJBFBMCE-IUCAKERBSA-N -1 0 275.345 2.168 40 0 CEABRM O=C([O-])CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001669935 361214630 /nfs/dbraw/zinc/21/46/30/361214630.db2.gz JQDDSROIZYKBKT-UHFFFAOYSA-N -1 0 283.283 2.473 40 0 CEABRM O=S(=O)([O-])[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001681764 361216777 /nfs/dbraw/zinc/21/67/77/361216777.db2.gz ZUZCEPDMQCVPET-KBPBESRZSA-N -1 0 278.329 2.349 40 0 in-vitro CEABRM CN(CC(=O)NC(=O)c1ccccc1)c1ccccc1 ZINC000001713444 361218653 /nfs/dbraw/zinc/21/86/53/361218653.db2.gz FZWPBBOXVHNFHE-UHFFFAOYSA-N -1 0 268.316 2.079 40 0 CEABRM O=C([O-])CCc1ccc(N(CCF)CCF)cc1 ZINC000001730699 361220112 /nfs/dbraw/zinc/22/01/12/361220112.db2.gz VUFNDRFVBDIXGF-UHFFFAOYSA-N -1 0 257.280 2.449 40 0 CEABRM O=C([O-])c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000001750023 361220883 /nfs/dbraw/zinc/22/08/83/361220883.db2.gz VDHFRVPYQUMHMN-UHFFFAOYSA-N -1 0 271.272 2.402 40 0 CEABRM CCCCN(CCCC)C(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000006398620 361336633 /nfs/dbraw/zinc/33/66/33/361336633.db2.gz DEORFXSAFNFIFY-RFGFWPKPSA-N -1 0 297.395 2.293 40 0 CEABRM C[C@@H]1c2ccccc2N=C2S[C@H](CC(=O)[O-])C(=O)N21 ZINC000006266464 361336654 /nfs/dbraw/zinc/33/66/54/361336654.db2.gz JHGGILBGFIXZMZ-GMSGAONNSA-N -1 0 276.317 2.167 40 0 CEABRM CN(C(=O)c1ccccc1C(=O)[O-])c1ccc(O)cc1 ZINC000013608825 361433253 /nfs/dbraw/zinc/43/32/53/361433253.db2.gz ODEHBACRDRCNPV-UHFFFAOYSA-N -1 0 271.272 2.367 40 0 CEABRM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000013094511 361417992 /nfs/dbraw/zinc/41/79/92/361417992.db2.gz OELVKPYYAAXPDM-UHFFFAOYSA-N -1 0 285.255 2.366 40 0 CEABRM COCCc1c(C)[n-]n(-c2nc3ccccc3o2)c1=O ZINC000014607867 361458130 /nfs/dbraw/zinc/45/81/30/361458130.db2.gz COSSMMVYIZZKCQ-UHFFFAOYSA-N -1 0 273.292 2.216 40 0 CEABRM O=C([O-])CO[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000095096415 364339725 /nfs/dbraw/zinc/33/97/25/364339725.db2.gz PZDUGHCEQJUUEU-NSHDSACASA-N -1 0 292.209 2.162 40 0 CEABRM COC(=O)c1ccc(-c2ccccc2F)nc1C(=O)[O-] ZINC000095097305 364340571 /nfs/dbraw/zinc/34/05/71/364340571.db2.gz NUHVEWNCXYNKSL-UHFFFAOYSA-N -1 0 275.235 2.373 40 0 CEABRM COc1ccc([C@@H](OCC(=O)[O-])C(F)(F)F)c(OC)c1 ZINC000095096434 364340605 /nfs/dbraw/zinc/34/06/05/364340605.db2.gz MJXGYUSULOAQPN-LLVKDONJSA-N -1 0 294.225 2.408 40 0 CEABRM COc1c(C)cc(Br)cc1CC(=O)[O-] ZINC000098210789 364537880 /nfs/dbraw/zinc/53/78/80/364537880.db2.gz JVSSAPVGOFLBNT-UHFFFAOYSA-N -1 0 259.099 2.393 40 0 CEABRM CNC(=S)Nc1cc(/C=C/C(=O)[O-])ccc1Cl ZINC000216929606 370192041 /nfs/dbraw/zinc/19/20/41/370192041.db2.gz SXOQZMHPDMHHQZ-HWKANZROSA-N -1 0 270.741 2.354 40 0 CEABRM CC[C@H](C(=O)[O-])N(C)c1cc(OC)ccc1OC ZINC000225000707 370283832 /nfs/dbraw/zinc/28/38/32/370283832.db2.gz CRIPAIYEZPBAHP-SNVBAGLBSA-N -1 0 253.298 2.003 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000225154232 370287066 /nfs/dbraw/zinc/28/70/66/370287066.db2.gz HXAOOVMVWSTVDP-UHFFFAOYSA-N -1 0 252.339 2.470 40 0 CEABRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2)c2ccccc2O1 ZINC000013434784 304198135 /nfs/dbraw/zinc/19/81/35/304198135.db2.gz FRXYMTQGIQTSPV-CQSZACIVSA-N -1 0 283.283 2.179 40 0 CEABRM CSc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000115220802 533090286 /nfs/dbraw/zinc/09/02/86/533090286.db2.gz RXASGEMFBQYIGX-UHFFFAOYSA-N -1 0 287.391 2.061 40 0 CEABRM CCN1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000002831165 285173927 /nfs/dbraw/zinc/17/39/27/285173927.db2.gz ANUYWVFFVSCKFX-YFHOEESVSA-N -1 0 277.301 2.441 40 0 CEABRM O=C([O-])c1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000089262238 304280072 /nfs/dbraw/zinc/28/00/72/304280072.db2.gz LIMWTVHYVUHLEX-UHFFFAOYSA-N -1 0 292.604 2.033 40 0 CEABRM CCc1ccc2oc(C(=O)NCC(=O)[O-])c(C)c2c1 ZINC000062714973 394570154 /nfs/dbraw/zinc/57/01/54/394570154.db2.gz ASZJWPYOYQQOPW-UHFFFAOYSA-N -1 0 261.277 2.118 40 0 CEABRM CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCC(=O)[O-] ZINC000062716002 394570248 /nfs/dbraw/zinc/57/02/48/394570248.db2.gz STYYJQNQAVVNNI-AWEZNQCLSA-N -1 0 276.336 2.401 40 0 CEABRM CC(C)Cn1nc([C@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000072209274 394592149 /nfs/dbraw/zinc/59/21/49/394592149.db2.gz BTPCWMFEEXURIG-JTQLQIEISA-N -1 0 274.320 2.241 40 0 CEABRM CCCCOc1[nH]nc(C(=O)[O-])c1Br ZINC000096509302 394693497 /nfs/dbraw/zinc/69/34/97/394693497.db2.gz RNGITKVIJAWFCV-UHFFFAOYSA-N -1 0 263.091 2.049 40 0 CEABRM CC(=O)c1c(C)c(C(=O)[O-])n(C[C@H]2CCCO2)c1C ZINC000096516047 394694051 /nfs/dbraw/zinc/69/40/51/394694051.db2.gz OZDYZBJBFOACIW-LLVKDONJSA-N -1 0 265.309 2.185 40 0 CEABRM CCC(=C([O-])c1cccc(F)c1)S(=O)(=O)CC ZINC000096518085 394694954 /nfs/dbraw/zinc/69/49/54/394694954.db2.gz BHLIRASDCCJOMP-NSHDSACASA-N -1 0 258.314 2.222 40 0 CEABRM Cc1ccc(-c2nc(S[C@@H](C)C(=O)[O-])n[nH]2)cc1 ZINC000005504548 170105613 /nfs/dbraw/zinc/10/56/13/170105613.db2.gz RBLAZZQRYWEEGJ-QMMMGPOBSA-N -1 0 263.322 2.345 40 0 CEABRM O=C([O-])CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000006514325 170208764 /nfs/dbraw/zinc/20/87/64/170208764.db2.gz NOPYIUVWDWIAIV-VOTSOKGWSA-N -1 0 261.306 2.152 40 0 CEABRM O=C([O-])CCSCC(=O)Nc1ccc(Cl)cc1 ZINC000006863319 170251126 /nfs/dbraw/zinc/25/11/26/170251126.db2.gz BYZDRWMDGXPMIG-UHFFFAOYSA-N -1 0 273.741 2.486 40 0 CEABRM O=C([O-])[C@H]1CC(c2cc(Br)ccc2F)=NO1 ZINC000020594072 171263415 /nfs/dbraw/zinc/26/34/15/171263415.db2.gz UNIUOHNYWIGZPY-SECBINFHSA-N -1 0 288.072 2.166 40 0 CEABRM CCOc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1 ZINC000037410020 173186557 /nfs/dbraw/zinc/18/65/57/173186557.db2.gz VWPYNEKEZXXSAQ-JXMROGBWSA-N -1 0 277.320 2.080 40 0 CEABRM O=C([O-])c1cc(F)ccc1NC(=O)C(F)(F)F ZINC000037454966 173220287 /nfs/dbraw/zinc/22/02/87/173220287.db2.gz YURCRPLFBDSYEI-UHFFFAOYSA-N -1 0 251.135 2.025 40 0 CEABRM O=C([O-])CN(Cc1ccccc1Br)C1CC1 ZINC000037474638 173227864 /nfs/dbraw/zinc/22/78/64/173227864.db2.gz IICFUYHSMVFMLI-UHFFFAOYSA-N -1 0 284.153 2.498 40 0 CEABRM O=C([O-])Cn1ccc(=O)c2ccc(C(F)(F)F)cc21 ZINC000040164054 174196780 /nfs/dbraw/zinc/19/67/80/174196780.db2.gz YSUARPCRNNCHTE-UHFFFAOYSA-N -1 0 271.194 2.105 40 0 CEABRM O=C([O-])c1cn(Cc2c(F)cccc2Cl)cn1 ZINC000071575954 176203149 /nfs/dbraw/zinc/20/31/49/176203149.db2.gz UWSAIXOVSFNKEB-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM CC[C@@H](C)n1ncc(I)c1C(=O)[O-] ZINC000072339316 176371422 /nfs/dbraw/zinc/37/14/22/176371422.db2.gz IDEMGAOUZOUEGH-RXMQYKEDSA-N -1 0 294.092 2.157 40 0 CEABRM COc1cccc(-c2ccnc3c2c(C(=O)[O-])nn3C)c1 ZINC000072339591 176371573 /nfs/dbraw/zinc/37/15/73/176371573.db2.gz ITKRVAUSIBXKQH-UHFFFAOYSA-N -1 0 283.287 2.342 40 0 CEABRM Cc1nc(Cc2ccccc2)nc(C)c1CC(=O)[O-] ZINC000026470869 262265228 /nfs/dbraw/zinc/26/52/28/262265228.db2.gz OASAJJHODAJCEK-UHFFFAOYSA-N -1 0 256.305 2.311 40 0 CEABRM COc1ccccc1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000028210303 262369615 /nfs/dbraw/zinc/36/96/15/262369615.db2.gz RJXGVKYZOSAZNG-UHFFFAOYSA-N -1 0 295.298 2.184 40 0 CEABRM Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)[O-])[C@@H]31)O2 ZINC000019218091 301876377 /nfs/dbraw/zinc/87/63/77/301876377.db2.gz FRVUCLJWARTEMG-OLUKKTBOSA-N -1 0 272.300 2.440 40 0 CEABRM CC(C)NC(=O)c1cc2nc(C(=O)[O-])n(C)c2cc1Cl ZINC000225730361 333182091 /nfs/dbraw/zinc/18/20/91/333182091.db2.gz VOJBXXJTKMJZGI-UHFFFAOYSA-N -1 0 295.726 2.063 40 0 CEABRM CCCc1nn2c([n-]1)nc(-c1ccc(C)cc1)cc2=O ZINC000016991430 528756539 /nfs/dbraw/zinc/75/65/39/528756539.db2.gz SLUPWLCFIYDBLN-UHFFFAOYSA-N -1 0 268.320 2.346 40 0 CEABRM CCc1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262453248 535975511 /nfs/dbraw/zinc/97/55/11/535975511.db2.gz ZXTFNTIWGMLJDY-LBPRGKRZSA-N -1 0 299.392 2.027 40 0 CEABRM CCCn1c2c(cccc2Cl)nc1S(=O)(=O)[O-] ZINC000095532042 185004911 /nfs/dbraw/zinc/00/49/11/185004911.db2.gz FKAYOAFSEGWUCW-UHFFFAOYSA-N -1 0 274.729 2.346 40 0 CEABRM O=C(Nc1ccc(Cl)cc1)[C@@H]1CSC(=S)[N-]1 ZINC000032594646 361745207 /nfs/dbraw/zinc/74/52/07/361745207.db2.gz SCFBMKRVRLKEPW-QMMMGPOBSA-N -1 0 272.782 2.268 40 0 CEABRM CSc1ccccc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000036615524 361848087 /nfs/dbraw/zinc/84/80/87/361848087.db2.gz AFBCJYVIZLNYLN-UHFFFAOYSA-N -1 0 291.332 2.093 40 0 CEABRM Cc1nnc(SC(=Cc2ccccc2O)C(=O)[O-])[nH]1 ZINC000006588334 343356142 /nfs/dbraw/zinc/35/61/42/343356142.db2.gz SBTOEZRIKOMAQG-POHAHGRESA-N -1 0 277.305 2.037 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000168295381 344480553 /nfs/dbraw/zinc/48/05/53/344480553.db2.gz HMHPNGIAUZMOMU-SECBINFHSA-N -1 0 289.209 2.165 40 0 CEABRM CCc1nc(SC(=Cc2ccc(C)o2)C(=O)[O-])n[nH]1 ZINC000213407114 344532719 /nfs/dbraw/zinc/53/27/19/344532719.db2.gz OVVOXVVFZWNHKD-TWGQIWQCSA-N -1 0 279.321 2.486 40 0 CEABRM CCCNc1nn(-c2ccc(OCC)cc2)nc1C(=O)[O-] ZINC000256048189 344646851 /nfs/dbraw/zinc/64/68/51/344646851.db2.gz RGDNQNLOYMNXQN-UHFFFAOYSA-N -1 0 290.323 2.186 40 0 CEABRM CC(C)Oc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1 ZINC000085394664 179049220 /nfs/dbraw/zinc/04/92/20/179049220.db2.gz SPVVCNOFOVOIBN-DGCLKSJQSA-N -1 0 264.277 2.163 40 0 CEABRM CC1(C)[C@@H](O)[C@]2(Br)CC[C@@]1(CC(=O)[O-])C2 ZINC000109275374 186246801 /nfs/dbraw/zinc/24/68/01/186246801.db2.gz MGHLAZREQORMKV-IEBDPFPHSA-N -1 0 277.158 2.166 40 0 CEABRM CCc1nnc(Sc2c(N)cc(C(=O)[O-])cc2Cl)[nH]1 ZINC000070462529 363088445 /nfs/dbraw/zinc/08/84/45/363088445.db2.gz VGJTWMLBFSGQLI-UHFFFAOYSA-N -1 0 298.755 2.452 40 0 CEABRM Cc1nnc(Sc2c(N)cc(C(=O)[O-])cc2Cl)[nH]1 ZINC000070462530 363088770 /nfs/dbraw/zinc/08/87/70/363088770.db2.gz DQGBYPUCPABDJQ-UHFFFAOYSA-N -1 0 284.728 2.198 40 0 CEABRM CC(C)(C)OC(=O)Nc1cncc(CC(=O)[O-])c1 ZINC000199524340 540171561 /nfs/dbraw/zinc/17/15/61/540171561.db2.gz LKOXETQRRZOXNQ-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM CNC(=O)C[C@@H](C(=O)[O-])c1ccc(OCC(C)C)cc1 ZINC000000330252 361161327 /nfs/dbraw/zinc/16/13/27/361161327.db2.gz XQESYXHSGQLCNC-CYBMUJFWSA-N -1 0 279.336 2.026 40 0 CEABRM Cc1ccc(-n2c(=O)c(C(=O)[O-])cc3c2CCCC3=O)cc1 ZINC000000794889 361192081 /nfs/dbraw/zinc/19/20/81/361192081.db2.gz KREORBIZDYACAH-UHFFFAOYSA-N -1 0 297.310 2.363 40 0 CEABRM CCOC(=O)[C@](OCc1ccccc1)(C(=O)[O-])C(C)C ZINC000001631404 361212107 /nfs/dbraw/zinc/21/21/07/361212107.db2.gz IVIUCVPWPODFER-OAHLLOKOSA-N -1 0 280.320 2.246 40 0 in-vitro CEABRM CCN(CC(=O)NC(=O)c1ccccc1)c1ccccc1 ZINC000001713437 361218432 /nfs/dbraw/zinc/21/84/32/361218432.db2.gz LVFHRVUBBXMAPF-UHFFFAOYSA-N -1 0 282.343 2.470 40 0 CEABRM COc1ccc2sc(SCC(=O)[O-])nc2c1 ZINC000003162980 361266134 /nfs/dbraw/zinc/26/61/34/361266134.db2.gz AFJKHSGNDZEYBG-UHFFFAOYSA-N -1 0 255.320 2.482 40 0 CEABRM COC(=O)c1ccc(-c2cccc(OC)c2)nc1C(=O)[O-] ZINC000095097307 364340048 /nfs/dbraw/zinc/34/00/48/364340048.db2.gz HSFOZYGPAWCNFN-UHFFFAOYSA-N -1 0 287.271 2.242 40 0 CEABRM COC(=O)C(=C(C)[O-])C(=O)c1cccc2ccccc21 ZINC000100292212 364543749 /nfs/dbraw/zinc/54/37/49/364543749.db2.gz OEHUIQFYMNEDDH-CQSZACIVSA-N -1 0 270.284 2.401 40 0 CEABRM COc1ccc([C@@H]2OC(=N)C(O)=C2[O-])cc1OC ZINC000104239641 364688466 /nfs/dbraw/zinc/68/84/66/364688466.db2.gz XLXVWOXYLRQYFO-NSHDSACASA-N -1 0 251.238 2.080 40 0 CEABRM CS(=O)(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000186451474 368976630 /nfs/dbraw/zinc/97/66/30/368976630.db2.gz ITSFFHDHZQBMCS-UHFFFAOYSA-N -1 0 289.769 2.230 40 0 CEABRM Cc1cccc(OCc2ncc(C(=O)[O-])c(C)n2)c1 ZINC000217397045 370195362 /nfs/dbraw/zinc/19/53/62/370195362.db2.gz LMWJHOHKLAVRNZ-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM COc1ccc(C[C@@H](OCC(C)C)C(=O)[O-])cc1 ZINC000225103401 370285600 /nfs/dbraw/zinc/28/56/00/370285600.db2.gz VUEMADZQJBSABS-CYBMUJFWSA-N -1 0 252.310 2.364 40 0 CEABRM COc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000225316377 370289422 /nfs/dbraw/zinc/28/94/22/370289422.db2.gz PCWUPUNLRSJXDH-UHFFFAOYSA-N -1 0 299.326 2.422 40 0 CEABRM CCN(c1ncccc1C(=O)[O-])[C@H]1CCSC1 ZINC000409428552 375524234 /nfs/dbraw/zinc/52/42/34/375524234.db2.gz GRCHHEUSHYEKQU-VIFPVBQESA-N -1 0 252.339 2.112 40 0 CEABRM CCCn1nc(C(=O)[O-])cc1CNCc1ccc(F)s1 ZINC000256052953 190004038 /nfs/dbraw/zinc/00/40/38/190004038.db2.gz PIQOCGBXCGINPX-UHFFFAOYSA-N -1 0 297.355 2.482 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000006330066 304210992 /nfs/dbraw/zinc/21/09/92/304210992.db2.gz XJQBGWKOMFMYOM-HTEOGMQZSA-N -1 0 293.269 2.426 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000004795501 304211296 /nfs/dbraw/zinc/21/12/96/304211296.db2.gz NHTGKYUWYFNJEU-DTVLGXAZSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)N[C@@H]1c1ccccc1 ZINC000033413914 304212532 /nfs/dbraw/zinc/21/25/32/304212532.db2.gz UHVVMEOGHRAOCS-UONOGXRCSA-N -1 0 267.284 2.340 40 0 CEABRM O=C([O-])c1cc(-n2cnnc2)c(Cl)cc1Cl ZINC000070461735 304220122 /nfs/dbraw/zinc/22/01/22/304220122.db2.gz LTFSBIYZWDTZDT-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])c1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000071606696 304285298 /nfs/dbraw/zinc/28/52/98/304285298.db2.gz OBENNEOSZAZLKA-UHFFFAOYSA-N -1 0 258.155 2.454 40 0 CEABRM O=C([O-])c1ccc2c(c1)N[C@H]1CCCCCN1C2=O ZINC000096516202 394694172 /nfs/dbraw/zinc/69/41/72/394694172.db2.gz LOXXQYCKALCAJS-GFCCVEGCSA-N -1 0 260.293 2.153 40 0 CEABRM C/C(=C\c1cc(Cl)ccc1OCC(=O)[O-])[N+](=O)[O-] ZINC000005430586 170098497 /nfs/dbraw/zinc/09/84/97/170098497.db2.gz XTBZIKBZNSUCBI-QPJJXVBHSA-N -1 0 271.656 2.441 40 0 CEABRM O=C([O-])c1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000005729542 170134056 /nfs/dbraw/zinc/13/40/56/170134056.db2.gz WGEQJQSCWKQOOF-UHFFFAOYSA-N -1 0 291.328 2.327 40 0 CEABRM CCOC([O-])=NC(=S)N=c1[nH]onc1-c1ccccc1 ZINC000005828309 170144399 /nfs/dbraw/zinc/14/43/99/170144399.db2.gz GROAXMMZZMFQGV-UHFFFAOYSA-N -1 0 292.320 2.180 40 0 CEABRM COc1ccc2c(c1O)C(=O)[C@@H](CCC(=O)[O-])CC2 ZINC000006424516 170200213 /nfs/dbraw/zinc/20/02/13/170200213.db2.gz MYIQXOWJCMLNAK-SECBINFHSA-N -1 0 264.277 2.011 40 0 CEABRM COc1ccc(Nc2ncc(/C=C/C(=O)[O-])cn2)cc1 ZINC000008702939 170347583 /nfs/dbraw/zinc/34/75/83/170347583.db2.gz RONURSFPCHLRDE-FARCUNLSSA-N -1 0 271.276 2.327 40 0 CEABRM CC(C)=C1CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@H]13 ZINC000013373846 170547394 /nfs/dbraw/zinc/54/73/94/170547394.db2.gz IOYVXXQKVQKQIG-QHSBEEBCSA-N -1 0 266.337 2.118 40 0 biogenic,in-vitro CEABRM CCCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000020151299 171037507 /nfs/dbraw/zinc/03/75/07/171037507.db2.gz RINAPGJPVBTMAO-UHFFFAOYSA-N -1 0 296.348 2.094 40 0 CEABRM O=C(Nc1cccc(-n2nn[n-]c2=S)c1)c1ccccc1 ZINC000021299850 171300955 /nfs/dbraw/zinc/30/09/55/171300955.db2.gz KJOCCCCUKDDDDA-UHFFFAOYSA-N -1 0 297.343 2.203 40 0 CEABRM O=C([O-])CCCCCN1C(=O)CC2(CCCCC2)C1=O ZINC000035280310 172098994 /nfs/dbraw/zinc/09/89/94/172098994.db2.gz OXKUYBKXMSSJGU-UHFFFAOYSA-N -1 0 281.352 2.341 40 0 CEABRM CCc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1 ZINC000037415660 173192746 /nfs/dbraw/zinc/19/27/46/173192746.db2.gz KZVJFAIJYPPXSP-MDZDMXLPSA-N -1 0 261.321 2.243 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000044563665 175207236 /nfs/dbraw/zinc/20/72/36/175207236.db2.gz XXGPRVFYTRGXSG-JTQLQIEISA-N -1 0 266.684 2.053 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(C)(CC(=O)[O-])CC1 ZINC000038540657 278381301 /nfs/dbraw/zinc/38/13/01/278381301.db2.gz ZPWNCZDQOSXJSA-UHFFFAOYSA-N -1 0 257.330 2.498 40 0 CEABRM CCn1c(=O)c(C(=O)[O-])c(Cl)c2cc3c(cc21)OCO3 ZINC000001618298 288673627 /nfs/dbraw/zinc/67/36/27/288673627.db2.gz PPUCXEZSKLEHIL-UHFFFAOYSA-N -1 0 295.678 2.102 40 0 CEABRM C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H]1SC(=O)[N-]C1=O ZINC000039793463 298194805 /nfs/dbraw/zinc/19/48/05/298194805.db2.gz WJSZNDIVRAWIAN-RCOVLWMOSA-N -1 0 298.751 2.266 40 0 CEABRM Cc1cc(F)ccc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000235626847 301310044 /nfs/dbraw/zinc/31/00/44/301310044.db2.gz AMHVXUFGFQASLL-TVQRCGJNSA-N -1 0 279.311 2.459 40 0 CEABRM Cc1cccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)n1 ZINC000095095474 301936321 /nfs/dbraw/zinc/93/63/21/301936321.db2.gz AXSXLLJWACOHEI-UHFFFAOYSA-N -1 0 280.283 2.392 40 0 CEABRM O=C([O-])[C@@H](OC(=O)c1cccnc1)c1ccccc1 ZINC000060133741 327018622 /nfs/dbraw/zinc/01/86/22/327018622.db2.gz AWUNQYSCRNDEPS-LBPRGKRZSA-N -1 0 257.245 2.064 40 0 CEABRM Cc1ccc(CCn2cccc(C(=O)[O-])c2=O)cc1 ZINC000197154308 333181342 /nfs/dbraw/zinc/18/13/42/333181342.db2.gz DQKMXLAJKSUJMW-UHFFFAOYSA-N -1 0 257.289 2.098 40 0 CEABRM Cc1cc(OCC(=O)[O-])c2c(F)ccc(F)c2n1 ZINC000064875150 525367380 /nfs/dbraw/zinc/36/73/80/525367380.db2.gz VFLSEQPJDVNDKG-UHFFFAOYSA-N -1 0 253.204 2.285 40 0 CEABRM CCOC(=O)c1[n-]c2c(F)cccc2c(=O)c1Cl ZINC000685937192 570389130 /nfs/dbraw/zinc/38/91/30/570389130.db2.gz MJJQUPQCCCSMIR-UHFFFAOYSA-N -1 0 269.659 2.497 40 0 CEABRM Cc1sc2nc(SCC(=O)[O-])nc(N)c2c1C ZINC000036644091 361849761 /nfs/dbraw/zinc/84/97/61/361849761.db2.gz PSMZZJQQSGKUCO-UHFFFAOYSA-N -1 0 269.351 2.067 40 0 CEABRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2O)c(C)n1C ZINC000008051947 343360779 /nfs/dbraw/zinc/36/07/79/343360779.db2.gz FHZCEINUBHIVFC-UHFFFAOYSA-N -1 0 288.303 2.298 40 0 CEABRM COCCOc1ccc(C(=O)[O-])cc1N1CCCCC1 ZINC000008703668 343362736 /nfs/dbraw/zinc/36/27/36/343362736.db2.gz WPYUZYPJFUTXNL-UHFFFAOYSA-N -1 0 279.336 2.400 40 0 CEABRM Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)[O-])cc1 ZINC000034266326 343419629 /nfs/dbraw/zinc/41/96/29/343419629.db2.gz SZLHQHZVDSXZDG-DAFODLJHSA-N -1 0 290.344 2.268 40 0 CEABRM CC1=C(C#N)c2nc3ccccc3n2C(=O)[C@@H]1CCC(=O)[O-] ZINC000039926979 343436471 /nfs/dbraw/zinc/43/64/71/343436471.db2.gz TUVHCHOPCFCURG-SNVBAGLBSA-N -1 0 295.298 2.468 40 0 CEABRM O=c1cc(-c2cccs2)[n-]n1C[C@@H]1CCCO1 ZINC000409441485 344889800 /nfs/dbraw/zinc/88/98/00/344889800.db2.gz YLSDZHILMMSEMJ-VIFPVBQESA-N -1 0 250.323 2.496 40 0 CEABRM CO[C@H](C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000087493603 179435337 /nfs/dbraw/zinc/43/53/37/179435337.db2.gz IYQNRIHKUXQRLD-QMMMGPOBSA-N -1 0 250.172 2.357 40 0 CEABRM CC(C)(C)OC(=O)Nc1cccc(C(=O)[O-])c1N ZINC000089194822 179750628 /nfs/dbraw/zinc/75/06/28/179750628.db2.gz GUOZBNNNPLTHOR-UHFFFAOYSA-N -1 0 252.270 2.314 40 0 CEABRM O=C([O-])c1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC000107707735 186188053 /nfs/dbraw/zinc/18/80/53/186188053.db2.gz KZSQPBCJELDQKR-UHFFFAOYSA-N -1 0 259.309 2.247 40 0 CEABRM CC(C)(C)OC(=O)N=C(N)c1ccc(CC(=O)[O-])cc1 ZINC000002599209 361242029 /nfs/dbraw/zinc/24/20/29/361242029.db2.gz UZHFJNQOZVEGEL-UHFFFAOYSA-N -1 0 278.308 2.164 40 0 CEABRM CN1C(=O)[C@H]2CC=CC[C@@]2(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004759703 361326570 /nfs/dbraw/zinc/32/65/70/361326570.db2.gz SKNILECKEROAPM-WWGRRREGSA-N -1 0 271.316 2.237 40 0 CEABRM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000013094580 361418144 /nfs/dbraw/zinc/41/81/44/361418144.db2.gz CQYYHBUHEPGTJI-UHFFFAOYSA-N -1 0 299.282 2.408 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1cccs1 ZINC000015746532 361478340 /nfs/dbraw/zinc/47/83/40/361478340.db2.gz RCASCYGHFPRADK-QCMRWSPLSA-N -1 0 279.361 2.111 40 0 CEABRM CCCN1C(=O)S[C@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000016740536 361497246 /nfs/dbraw/zinc/49/72/46/361497246.db2.gz RCIPHSRRKSQXGR-JTQLQIEISA-N -1 0 294.332 2.228 40 0 CEABRM O=C(/C=C/c1ccco1)NCc1ccc(C(=O)[O-])cc1 ZINC000019505632 361540008 /nfs/dbraw/zinc/54/00/08/361540008.db2.gz HWFQDDGLSWVDBV-BQYQJAHWSA-N -1 0 271.272 2.307 40 0 CEABRM Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)[O-])=C(C)N2 ZINC000020427128 361583518 /nfs/dbraw/zinc/58/35/18/361583518.db2.gz UYGVZJCQROHSCM-LBPRGKRZSA-N -1 0 288.282 2.099 40 0 CEABRM CN(C(=O)C(F)(F)F)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000087492886 363858032 /nfs/dbraw/zinc/85/80/32/363858032.db2.gz SYMJWXBEQYHCEA-MRVPVSSYSA-N -1 0 295.644 2.486 40 0 CEABRM COc1ccc([C@H](OCC(=O)[O-])C(F)(F)F)cc1 ZINC000095096379 364340576 /nfs/dbraw/zinc/34/05/76/364340576.db2.gz TXSBIWFOTNBAIA-JTQLQIEISA-N -1 0 264.199 2.400 40 0 CEABRM CC(=O)c1ccccc1OCc1ncc(C(=O)[O-])c(C)n1 ZINC000217399152 189709859 /nfs/dbraw/zinc/70/98/59/189709859.db2.gz MITGXZDPNSLVPE-UHFFFAOYSA-N -1 0 286.287 2.265 40 0 CEABRM O=C([O-])[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F ZINC000169805844 367371976 /nfs/dbraw/zinc/37/19/76/367371976.db2.gz SLRHMRLLMPLETF-RYUDHWBXSA-N -1 0 281.283 2.068 40 0 CEABRM CCNC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000216931155 370191764 /nfs/dbraw/zinc/19/17/64/370191764.db2.gz VYWBDHUXCNELJH-UHFFFAOYSA-N -1 0 258.730 2.345 40 0 CEABRM CCNC(=S)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000216928840 370192431 /nfs/dbraw/zinc/19/24/31/370192431.db2.gz IESRXKWLUNMSKO-VOTSOKGWSA-N -1 0 250.323 2.091 40 0 CEABRM O=C([O-])/C=C/NC(=O)Nc1cccc(Br)c1 ZINC000222696226 370257327 /nfs/dbraw/zinc/25/73/27/370257327.db2.gz UIQOCYAEXIAMFL-SNAWJCMRSA-N -1 0 285.097 2.169 40 0 CEABRM C[C@@H](Sc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000224974703 370283642 /nfs/dbraw/zinc/28/36/42/370283642.db2.gz UCGHXQCPYUNTRH-ZCFIWIBFSA-N -1 0 267.285 2.176 40 0 CEABRM COc1ccc(-c2nc(SCCCC(=O)[O-])n[nH]2)cc1 ZINC000224977281 370283796 /nfs/dbraw/zinc/28/37/96/370283796.db2.gz NPFBLOOAOGEHMF-UHFFFAOYSA-N -1 0 293.348 2.437 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@H]1c1c(F)cccc1Cl ZINC000085393309 304174972 /nfs/dbraw/zinc/17/49/72/304174972.db2.gz FUQDJZQLAGHPHE-XUOSJQGZSA-N -1 0 258.632 2.168 40 0 CEABRM CCCC[C@@H](Nc1cc(Cl)nc(C)n1)C(=O)[O-] ZINC000409428881 375523825 /nfs/dbraw/zinc/52/38/25/375523825.db2.gz PLGFSGVUMDHQBX-MRVPVSSYSA-N -1 0 257.721 2.494 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1CCCCC1 ZINC000006731386 304211338 /nfs/dbraw/zinc/21/13/38/304211338.db2.gz XUCHOVFTLZVJMH-RQJABVFESA-N -1 0 277.364 2.206 40 0 CEABRM COc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1C ZINC000032123575 394488049 /nfs/dbraw/zinc/48/80/49/394488049.db2.gz DYWFKSALMAYNPF-UHFFFAOYSA-N -1 0 278.333 2.336 40 0 CEABRM Cc1c(C(=O)[O-])oc2c1[C@@H](O)C[C@H](C(F)(F)F)C2 ZINC000085399155 394642990 /nfs/dbraw/zinc/64/29/90/394642990.db2.gz QPUBEALPXBHHKG-WDSKDSINSA-N -1 0 264.199 2.444 40 0 CEABRM Cc1nn(C(C)(C)C)cc1C(=O)C1=C([O-])CCCC1=O ZINC000103619336 394716235 /nfs/dbraw/zinc/71/62/35/394716235.db2.gz UQYXWWDQEJGRGR-UHFFFAOYSA-N -1 0 276.336 2.068 40 0 CEABRM O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccccc2)N1 ZINC000005773802 170139166 /nfs/dbraw/zinc/13/91/66/170139166.db2.gz BQIUEOHVXKQTER-GXDHUFHOSA-N -1 0 294.310 2.446 40 0 CEABRM O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2CC[C@@H]1O2 ZINC000006093056 170175778 /nfs/dbraw/zinc/17/57/78/170175778.db2.gz PQYZQPSVUBGXDH-NOOOWODRSA-N -1 0 295.722 2.157 40 0 CEABRM Clc1nc(Cl)c([N-]c2nc[nH]n2)nc1Cl ZINC000006585101 170216416 /nfs/dbraw/zinc/21/64/16/170216416.db2.gz OIUCSFOJDPOEPJ-UHFFFAOYSA-N -1 0 265.491 2.299 40 0 CEABRM Cc1ccc(C)n1N(CC(=O)[O-])C(=O)c1ccc(C)cc1 ZINC000008729216 170350192 /nfs/dbraw/zinc/35/01/92/170350192.db2.gz OCTYIENIUBPFML-UHFFFAOYSA-N -1 0 286.331 2.276 40 0 CEABRM O=C([O-])c1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1 ZINC000020136946 171024674 /nfs/dbraw/zinc/02/46/74/171024674.db2.gz QPUNPIACXSJAIA-UHFFFAOYSA-N -1 0 296.537 2.371 40 0 CEABRM CC(C)CC(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000020151377 171037733 /nfs/dbraw/zinc/03/77/33/171037733.db2.gz PJAFFNYXGWXYML-UHFFFAOYSA-N -1 0 294.376 2.173 40 0 CEABRM O=C([O-])Cc1c[nH]c(=S)n(CCC2=CCCCC2)c1=O ZINC000020156321 171039028 /nfs/dbraw/zinc/03/90/28/171039028.db2.gz SNQIEFSMOAWTAL-UHFFFAOYSA-N -1 0 294.376 2.423 40 0 CEABRM CCc1ccc(Cc2nnc(SCC(=O)[O-])o2)cc1 ZINC000020197201 171061435 /nfs/dbraw/zinc/06/14/35/171061435.db2.gz WWVIWSKSGTYZBK-UHFFFAOYSA-N -1 0 278.333 2.400 40 0 CEABRM CCOc1ccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)cc1 ZINC000036635216 172643159 /nfs/dbraw/zinc/64/31/59/172643159.db2.gz GUGFEPIVXVQZBK-SNVBAGLBSA-N -1 0 295.316 2.128 40 0 CEABRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000037359186 173149206 /nfs/dbraw/zinc/14/92/06/173149206.db2.gz VMIKALAOLOUIHR-NSHDSACASA-N -1 0 290.146 2.451 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1CSCC(=O)[O-] ZINC000079392078 177475859 /nfs/dbraw/zinc/47/58/59/177475859.db2.gz GGEMSKOLPLZURL-SECBINFHSA-N -1 0 275.370 2.204 40 0 CEABRM CN1C(=O)[C@H]2CC=CC[C@]2(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004759709 289857643 /nfs/dbraw/zinc/85/76/43/289857643.db2.gz SKNILECKEROAPM-DVOMOZLQSA-N -1 0 271.316 2.237 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2C(=O)[O-])C1 ZINC000306145537 278409635 /nfs/dbraw/zinc/40/96/35/278409635.db2.gz IDCSHSTTWUYEMK-RNCFNFMXSA-N -1 0 255.314 2.108 40 0 CEABRM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccon1 ZINC000006731227 278657278 /nfs/dbraw/zinc/65/72/78/278657278.db2.gz AEVBZBPNWTXFMP-ZFWZSOMGSA-N -1 0 290.319 2.306 40 0 CEABRM COc1cccc(C2(CC(=O)[O-])CCOCC2)c1 ZINC000041305587 295291278 /nfs/dbraw/zinc/29/12/78/295291278.db2.gz FXQSEDUKGCEULT-UHFFFAOYSA-N -1 0 250.294 2.218 40 0 CEABRM C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])[C@@H]21 ZINC000242677045 297164688 /nfs/dbraw/zinc/16/46/88/297164688.db2.gz SWNTYLHTDSLQMT-ZEBDFXRSSA-N -1 0 252.232 2.311 40 0 CEABRM Cn1c(=O)cc(C(F)F)c2cc(C(=O)[O-])ccc21 ZINC000225758391 333182379 /nfs/dbraw/zinc/18/23/79/333182379.db2.gz UAZNOESTZOASHK-UHFFFAOYSA-N -1 0 253.204 2.174 40 0 CEABRM Nc1ccc2nc(SCCC(=O)[O-])sc2c1 ZINC000068978094 527510904 /nfs/dbraw/zinc/51/09/04/527510904.db2.gz ZBIOBRIKQHHLSW-UHFFFAOYSA-N -1 0 254.336 2.445 40 0 CEABRM O=C([O-])C[C@@H](n1ccc(C(F)F)n1)C(F)(F)F ZINC000685936525 567104267 /nfs/dbraw/zinc/10/42/67/567104267.db2.gz CZVKSYBPBHUFGT-RXMQYKEDSA-N -1 0 258.146 2.399 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2c(C)cccc2C)C1 ZINC000685936872 570388792 /nfs/dbraw/zinc/38/87/92/570388792.db2.gz BETCZWLSEBQODP-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccc(O)cc1 ZINC000033413949 361778344 /nfs/dbraw/zinc/77/83/44/361778344.db2.gz ZNBUOUDCYHJIPN-UONOGXRCSA-N -1 0 284.267 2.472 40 0 CEABRM CCOC(=O)c1nc(-c2ccc(C(=O)[O-])cc2)[nH]c1C ZINC000036532618 361848524 /nfs/dbraw/zinc/84/85/24/361848524.db2.gz VWPSCAPOVAROKA-UHFFFAOYSA-N -1 0 274.276 2.260 40 0 CEABRM O=C([O-])c1cccn(OCc2cccc3ccccc32)c1=O ZINC000041670640 362046153 /nfs/dbraw/zinc/04/61/53/362046153.db2.gz SLLKJYMSKAKAKM-UHFFFAOYSA-N -1 0 295.294 2.329 40 0 CEABRM C[C@@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])CC1=O ZINC000042340625 362084891 /nfs/dbraw/zinc/08/48/91/362084891.db2.gz WASXNRJTQTZWRN-WCBMZHEXSA-N -1 0 267.712 2.334 40 0 CEABRM COc1cccc(NC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000028210305 343396597 /nfs/dbraw/zinc/39/65/97/343396597.db2.gz ABQCYWSICIQPMI-UHFFFAOYSA-N -1 0 295.298 2.184 40 0 CEABRM Nc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C2CC2)n1 ZINC000049467678 362363845 /nfs/dbraw/zinc/36/38/45/362363845.db2.gz XHXFYJXRRPNUSX-UHFFFAOYSA-N -1 0 270.292 2.378 40 0 CEABRM CCCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466561 362364542 /nfs/dbraw/zinc/36/45/42/362364542.db2.gz NPCCIBUYZHLRMP-TZMCWYRMSA-N -1 0 261.321 2.461 40 0 CEABRM CC(C)(C)OC(=O)N1CC2(CC(CC(=O)[O-])C2)C1 ZINC000110914920 344270513 /nfs/dbraw/zinc/27/05/13/344270513.db2.gz GMNBLTFFRVPTGU-UHFFFAOYSA-N -1 0 255.314 2.108 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N1Cc1cccc(Br)c1 ZINC000049903571 362383125 /nfs/dbraw/zinc/38/31/25/362383125.db2.gz PLLOGFYLPBLVPH-SNVBAGLBSA-N -1 0 298.136 2.025 40 0 CEABRM Cc1ccccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O ZINC000210665905 344531195 /nfs/dbraw/zinc/53/11/95/344531195.db2.gz VCAPTQCNDKJPSP-UXBLZVDNSA-N -1 0 277.301 2.116 40 0 CEABRM CCc1nnc(S/C(=C\c2ccco2)C(=O)[O-])o1 ZINC000213417367 344532474 /nfs/dbraw/zinc/53/24/74/344532474.db2.gz RPLPCMDOEHJLHC-VURMDHGXSA-N -1 0 266.278 2.443 40 0 CEABRM O=C([O-])c1nn(-c2cccc(Cl)c2)nc1N1CCCC1 ZINC000256046783 344647015 /nfs/dbraw/zinc/64/70/15/344647015.db2.gz IAWHOOYXGICPHU-UHFFFAOYSA-N -1 0 292.726 2.219 40 0 CEABRM CC(C)Cn1cc(CC(=O)[O-])c(C(F)(F)F)n1 ZINC000409437510 344888807 /nfs/dbraw/zinc/88/88/07/344888807.db2.gz HKKSFEUNCJDCIK-UHFFFAOYSA-N -1 0 250.220 2.185 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])[C@H]1C2 ZINC000085386059 179047171 /nfs/dbraw/zinc/04/71/71/179047171.db2.gz MGNFVKFCNXYOMU-SGIHWFKDSA-N -1 0 255.314 2.010 40 0 CEABRM CCc1cc(-c2c([O-])c3ccccc3n(C)c2=O)n[nH]1 ZINC000104497922 186007364 /nfs/dbraw/zinc/00/73/64/186007364.db2.gz XRLVPSOVKWCRLM-UHFFFAOYSA-N -1 0 269.304 2.197 40 0 CEABRM CCOc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OCC ZINC000000086128 361126555 /nfs/dbraw/zinc/12/65/55/361126555.db2.gz CJYQDKYTDWQPDL-GXFFZTMASA-N -1 0 297.376 2.272 40 0 CEABRM CNc1ccc(C(=O)[O-])cc1I ZINC000001579086 361208980 /nfs/dbraw/zinc/20/89/80/361208980.db2.gz BQXSIDNWDRETTD-UHFFFAOYSA-N -1 0 277.061 2.031 40 0 CEABRM O=C([O-])[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000001733986 361221065 /nfs/dbraw/zinc/22/10/65/361221065.db2.gz RRIYMQRUQFUKPL-CYBMUJFWSA-N -1 0 255.273 2.494 40 0 CEABRM Cn1c(SCC(=O)[O-])nnc1-c1ccccc1Cl ZINC000002523567 361237952 /nfs/dbraw/zinc/23/79/52/361237952.db2.gz CDYYCHVDQNBLFL-UHFFFAOYSA-N -1 0 283.740 2.312 40 0 CEABRM Cc1[nH]c2[n-]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl ZINC000008020927 361341505 /nfs/dbraw/zinc/34/15/05/361341505.db2.gz DWIXKRLDEQFXOI-UHFFFAOYSA-N -1 0 293.685 2.108 40 0 CEABRM COc1cc(-c2noc(C)c2C(=O)[O-])cc(OC)c1OC ZINC000011627989 361360988 /nfs/dbraw/zinc/36/09/88/361360988.db2.gz ZDWCZJURXHVMGP-UHFFFAOYSA-N -1 0 293.275 2.374 40 0 CEABRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2O1 ZINC000013434782 361427578 /nfs/dbraw/zinc/42/75/78/361427578.db2.gz FRXYMTQGIQTSPV-AWEZNQCLSA-N -1 0 283.283 2.179 40 0 CEABRM COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)[O-])ccc32)cc1 ZINC000013565063 361430497 /nfs/dbraw/zinc/43/04/97/361430497.db2.gz NPARUZBLDNQKRZ-UHFFFAOYSA-N -1 0 298.298 2.085 40 0 CEABRM C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000017007549 361500971 /nfs/dbraw/zinc/50/09/71/361500971.db2.gz QWXILJYEEQQOMX-RTXFEEFZSA-N -1 0 276.336 2.150 40 0 CEABRM CC[C@H](C)N(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2)[C@@H](C)CC ZINC000017024324 361502526 /nfs/dbraw/zinc/50/25/26/361502526.db2.gz MFIHHRMTOMCTDO-QQKNPXLJSA-N -1 0 297.395 2.290 40 0 CEABRM CNc1nc(C)cc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000019798031 361555425 /nfs/dbraw/zinc/55/54/25/361555425.db2.gz XEVNUANYJWRYSA-UHFFFAOYSA-N -1 0 258.281 2.269 40 0 CEABRM COc1ccc(OC)c([C@@H](OCC(=O)[O-])C(F)(F)F)c1 ZINC000095096430 364340297 /nfs/dbraw/zinc/34/02/97/364340297.db2.gz ZJJUAORDAGUXNS-LLVKDONJSA-N -1 0 294.225 2.408 40 0 CEABRM CCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(C2CC2)n1 ZINC000096516939 364426041 /nfs/dbraw/zinc/42/60/41/364426041.db2.gz RBZLRPWVRIYXTP-NSHDSACASA-N -1 0 275.352 2.217 40 0 CEABRM CCNC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000216928496 370192073 /nfs/dbraw/zinc/19/20/73/370192073.db2.gz WYOFQIOUNQIWFP-UHFFFAOYSA-N -1 0 258.730 2.345 40 0 CEABRM O=C([O-])CCc1nc(C(F)(F)F)n2ccccc12 ZINC000225744608 370316649 /nfs/dbraw/zinc/31/66/49/370316649.db2.gz OXBDBSPSALJLIK-UHFFFAOYSA-N -1 0 258.199 2.370 40 0 CEABRM Cc1ccc(NC(=O)N/C=C/C(=O)[O-])cc1Cl ZINC000222696744 370256759 /nfs/dbraw/zinc/25/67/59/370256759.db2.gz JOJFQBCGVFLPAH-SNAWJCMRSA-N -1 0 254.673 2.368 40 0 CEABRM O=C([O-])CSc1cc(NCc2ccccc2)ncn1 ZINC000226100307 370328994 /nfs/dbraw/zinc/32/89/94/370328994.db2.gz AYUSCHZURMGWRG-UHFFFAOYSA-N -1 0 275.333 2.265 40 0 CEABRM CC(=O)NCc1ccc(-c2ccccc2C(=O)[O-])cn1 ZINC000257221381 190014865 /nfs/dbraw/zinc/01/48/65/190014865.db2.gz DOUNQQOTOAJPKX-UHFFFAOYSA-N -1 0 270.288 2.083 40 0 CEABRM C[C@H](Oc1ccc(-n2cccc2C=O)cc1)C(=O)[O-] ZINC000008702367 170347518 /nfs/dbraw/zinc/34/75/18/170347518.db2.gz RXMRCJXMYOQKOJ-JTQLQIEISA-N -1 0 259.261 2.142 40 0 CEABRM COCCC1(COc2ccc(C(=O)[O-])cn2)CCC1 ZINC000095093871 184941991 /nfs/dbraw/zinc/94/19/91/184941991.db2.gz VCAUUPHBBYHEIP-UHFFFAOYSA-N -1 0 265.309 2.365 40 0 CEABRM COc1ccc([C@H](OCC(=O)[O-])C(F)(F)F)c(OC)c1 ZINC000095096433 184943786 /nfs/dbraw/zinc/94/37/86/184943786.db2.gz MJXGYUSULOAQPN-NSHDSACASA-N -1 0 294.225 2.408 40 0 CEABRM O=C([O-])c1nc2cc(F)ccc2n1C1CCOCC1 ZINC000255189497 304283541 /nfs/dbraw/zinc/28/35/41/304283541.db2.gz QFMKAVUHULGBAE-UHFFFAOYSA-N -1 0 264.256 2.225 40 0 CEABRM O=C([O-])Nc1c(Cl)nccc1I ZINC000217795912 394456160 /nfs/dbraw/zinc/45/61/60/394456160.db2.gz WAVTUXIQNBPXRQ-UHFFFAOYSA-N -1 0 298.467 2.430 40 0 CEABRM C[C@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC000004294378 169954643 /nfs/dbraw/zinc/95/46/43/169954643.db2.gz DUZIJEJRCLZUGZ-LURJTMIESA-N -1 0 251.673 2.168 40 0 CEABRM CCc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1 ZINC000006698813 170227688 /nfs/dbraw/zinc/22/76/88/170227688.db2.gz URSPNXKDALRRBJ-RFGFWPKPSA-N -1 0 289.331 2.066 40 0 CEABRM C[C@H](Nc1ccc(Br)cc1F)C(=O)[O-] ZINC000008730588 170350731 /nfs/dbraw/zinc/35/07/31/170350731.db2.gz KZAUDROQLRSXNH-YFKPBYRVSA-N -1 0 262.078 2.473 40 0 CEABRM O=C([O-])c1cc(NC(=O)c2cccc(F)c2)ccc1O ZINC000020138115 171025098 /nfs/dbraw/zinc/02/50/98/171025098.db2.gz GNNOAKDCGJVCQL-UHFFFAOYSA-N -1 0 275.235 2.482 40 0 CEABRM Cc1cccc2cc(-c3noc(CCC(=O)[O-])n3)c(=O)[nH]c12 ZINC000022119536 171353414 /nfs/dbraw/zinc/35/34/14/171353414.db2.gz FYXCQHPCFWZCSR-UHFFFAOYSA-N -1 0 299.286 2.316 40 0 CEABRM Cc1ccc(NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000028210252 262369630 /nfs/dbraw/zinc/36/96/30/262369630.db2.gz PFHDVOBPMUYVGY-UHFFFAOYSA-N -1 0 279.299 2.484 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(F)(F)C[C@@H]1C(=O)[O-] ZINC000002383865 278381689 /nfs/dbraw/zinc/38/16/89/278381689.db2.gz BEYLYGCFFXJNQM-SSDOTTSWSA-N -1 0 265.256 2.106 40 0 CEABRM CC[C@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004892017 288192830 /nfs/dbraw/zinc/19/28/30/288192830.db2.gz NXTVQPHDKPQPPA-XQQFMLRXSA-N -1 0 265.353 2.445 40 0 CEABRM Cc1cc(NC(=O)C(C)(C)C)cc(C(=O)[O-])c1O ZINC000020136881 301346298 /nfs/dbraw/zinc/34/62/98/301346298.db2.gz NJEFIAOSMHBWGU-UHFFFAOYSA-N -1 0 251.282 2.383 40 0 CEABRM O=S(=O)([O-])[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001681765 304768220 /nfs/dbraw/zinc/76/82/20/304768220.db2.gz ZUZCEPDMQCVPET-KGLIPLIRSA-N -1 0 278.329 2.349 40 0 in-vitro CEABRM COc1cc2c(=O)ccn([C@H](C)C(=O)[O-])c2cc1Cl ZINC000064874647 522987991 /nfs/dbraw/zinc/98/79/91/522987991.db2.gz IBXDXOYPMPPXCJ-SSDOTTSWSA-N -1 0 281.695 2.309 40 0 CEABRM CCN(Cc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC000132194514 528755304 /nfs/dbraw/zinc/75/53/04/528755304.db2.gz ZIGSHMVJPIVRPF-UHFFFAOYSA-N -1 0 259.309 2.145 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccccn1 ZINC000033413962 361779485 /nfs/dbraw/zinc/77/94/85/361779485.db2.gz YLLOHRXFJVSQQN-QWHCGFSZSA-N -1 0 269.256 2.162 40 0 CEABRM C[C@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCC1 ZINC000035083133 361808592 /nfs/dbraw/zinc/80/85/92/361808592.db2.gz GSENZJWJQFRHKA-NSHDSACASA-N -1 0 253.342 2.423 40 0 CEABRM O=C([O-])[C@H]1CC(c2ccc(Br)cc2F)=NO1 ZINC000036985246 361880183 /nfs/dbraw/zinc/88/01/83/361880183.db2.gz FHJJJBGSBMTSJI-SECBINFHSA-N -1 0 288.072 2.166 40 0 CEABRM CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(CC(=O)[O-])C2 ZINC000085398899 344094821 /nfs/dbraw/zinc/09/48/21/344094821.db2.gz MGHLAZREQORMKV-DVVUODLYSA-N -1 0 277.158 2.166 40 0 CEABRM O=C([O-])c1cnc(COc2ccccc2)nc1N1CCCC1 ZINC000049469068 362365102 /nfs/dbraw/zinc/36/51/02/362365102.db2.gz OWHVECNBSSJNHK-UHFFFAOYSA-N -1 0 299.330 2.354 40 0 CEABRM Cc1ccc(-c2nc(N)cc(SCC(=O)[O-])n2)cc1 ZINC000049469988 362365865 /nfs/dbraw/zinc/36/58/65/362365865.db2.gz OEIUEEFHYBYVSB-UHFFFAOYSA-N -1 0 275.333 2.211 40 0 CEABRM C=C(O)c1cccc(-c2ccc(C=NNc3nnn[n-]3)o2)c1 ZINC000254490120 344645430 /nfs/dbraw/zinc/64/54/30/344645430.db2.gz NBAMRPSUKDHZOR-UHFFFAOYSA-N -1 0 296.290 2.108 40 0 CEABRM Cc1cccc(OCc2ncc(C(=O)[O-])cn2)c1C ZINC000058042340 362606130 /nfs/dbraw/zinc/60/61/30/362606130.db2.gz LJBMBGZHBYXSGL-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000101781214 185758301 /nfs/dbraw/zinc/75/83/01/185758301.db2.gz XUCHOVFTLZVJMH-CRWXNKLISA-N -1 0 277.364 2.206 40 0 CEABRM CN(C(=O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000087492885 179435284 /nfs/dbraw/zinc/43/52/84/179435284.db2.gz SYMJWXBEQYHCEA-QMMMGPOBSA-N -1 0 295.644 2.486 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-] ZINC000075629686 363479722 /nfs/dbraw/zinc/47/97/22/363479722.db2.gz GDZQCMQJVJLGRE-WCQYABFASA-N -1 0 295.335 2.088 40 0 CEABRM CCCSCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000001593809 538736630 /nfs/dbraw/zinc/73/66/30/538736630.db2.gz QMKFTLSMZVWWSF-GFCCVEGCSA-N -1 0 281.377 2.403 40 0 CEABRM O=C([O-])[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001649312 361213860 /nfs/dbraw/zinc/21/38/60/361213860.db2.gz XZCYDMWCEOPIRU-CABCVRRESA-N -1 0 286.283 2.317 40 0 CEABRM O=C([O-])c1ccc(Cn2cnc3c2nc[nH]c3=S)cc1 ZINC000001699296 361218618 /nfs/dbraw/zinc/21/86/18/361218618.db2.gz SHJUHFMRQUDXAG-UHFFFAOYSA-N -1 0 286.316 2.235 40 0 CEABRM O=P([O-])([O-])c1ccc(Oc2ccccc2)cc1 ZINC000001725599 361219964 /nfs/dbraw/zinc/21/99/64/361219964.db2.gz XTOSBQVJEWIWED-UHFFFAOYSA-N -1 0 250.190 2.282 40 0 CEABRM Cc1nc(=O)c2nsc(C(=O)Nc3ccccc3)c2[n-]1 ZINC000013564072 361430344 /nfs/dbraw/zinc/43/03/44/361430344.db2.gz IJINWSSKDWGBKI-UHFFFAOYSA-N -1 0 286.316 2.353 40 0 CEABRM Cc1cc2nc([C@H](C)NC(=O)OC(C)(C)C)cc(=O)n2[n-]1 ZINC000019129743 361521617 /nfs/dbraw/zinc/52/16/17/361521617.db2.gz OQJIXJWZIQALNT-VIFPVBQESA-N -1 0 292.339 2.329 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1F)C(=O)[O-] ZINC000032098886 361725789 /nfs/dbraw/zinc/72/57/89/361725789.db2.gz WEICTNRFBRIIRB-NSHDSACASA-N -1 0 299.298 2.052 40 0 CEABRM COc1cccc([C@H](OCC(=O)[O-])C(F)(F)F)c1OC ZINC000095096407 364339943 /nfs/dbraw/zinc/33/99/43/364339943.db2.gz ZDQDEVZSZQRGEM-NSHDSACASA-N -1 0 294.225 2.408 40 0 CEABRM CC/C=C(/C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743403 364290943 /nfs/dbraw/zinc/29/09/43/364290943.db2.gz SIXIEHUVXACYFM-GZDUMXDUSA-N -1 0 253.342 2.492 40 0 CEABRM O=c1cc(-c2cccnc2)nc2cc(C3CCOCC3)[n-]n21 ZINC000100230719 364542430 /nfs/dbraw/zinc/54/24/30/364542430.db2.gz SOGOWOYNHQGHKX-UHFFFAOYSA-N -1 0 296.330 2.391 40 0 CEABRM COc1ccc([C@H]2OC(=N)C(O)=C2[O-])cc1OC ZINC000104239633 364688794 /nfs/dbraw/zinc/68/87/94/364688794.db2.gz XLXVWOXYLRQYFO-LLVKDONJSA-N -1 0 251.238 2.080 40 0 CEABRM CSc1nnc([N-]S(=O)(=O)c2cccs2)s1 ZINC000224080480 189740819 /nfs/dbraw/zinc/74/08/19/189740819.db2.gz YYMMCKBLBIIYSS-UHFFFAOYSA-N -1 0 293.420 2.122 40 0 CEABRM CCCNC(=S)Nc1cc(C(=O)[O-])ccc1OC ZINC000225156195 189744596 /nfs/dbraw/zinc/74/45/96/189744596.db2.gz CELZRFSYLPFTKH-UHFFFAOYSA-N -1 0 268.338 2.090 40 0 CEABRM CC/C=C(\C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000211761230 370162530 /nfs/dbraw/zinc/16/25/30/370162530.db2.gz SIXIEHUVXACYFM-SKWDFFSCSA-N -1 0 253.342 2.492 40 0 CEABRM CC[C@H](Sc1n[nH]c(COc2ccccc2)n1)C(=O)[O-] ZINC000224976740 370283838 /nfs/dbraw/zinc/28/38/38/370283838.db2.gz QQHCNWFSWWYBBF-JTQLQIEISA-N -1 0 293.348 2.339 40 0 CEABRM CCCO[C@@H](Cc1cc(OC)ccc1OC)C(=O)[O-] ZINC000225116518 370285589 /nfs/dbraw/zinc/28/55/89/370285589.db2.gz IWFYIHLWWJTGJG-ZDUSSCGKSA-N -1 0 268.309 2.126 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000013320681 304159310 /nfs/dbraw/zinc/15/93/10/304159310.db2.gz IRBSKFHBNRYZPR-RFQIPJPRSA-N -1 0 279.380 2.430 40 0 CEABRM C[C@@H]1N(C(=O)CC2(C(=O)[O-])CCC2)CCC12CCOCC2 ZINC000263563650 371942928 /nfs/dbraw/zinc/94/29/28/371942928.db2.gz DMABDCKBKLOFJO-LBPRGKRZSA-N -1 0 295.379 2.049 40 0 CEABRM CCn1nc(C(=O)[O-])cc1CNCc1ccc(F)s1 ZINC000256052201 190004196 /nfs/dbraw/zinc/00/41/96/190004196.db2.gz MIDAEIZOIBLOGK-UHFFFAOYSA-N -1 0 283.328 2.092 40 0 CEABRM Cc1cc(NCc2ccc(F)s2)n(CC(=O)[O-])n1 ZINC000256053012 190004541 /nfs/dbraw/zinc/00/45/41/190004541.db2.gz PQWMXKGPELQYLM-UHFFFAOYSA-N -1 0 269.301 2.089 40 0 CEABRM O=C([O-])[C@H]1[C@@H](CO)[C@@H](O)c2ccccc2[C@@H]1c1ccccc1 ZINC000004783065 304209860 /nfs/dbraw/zinc/20/98/60/304209860.db2.gz RAESRZQFJCRAIX-QZWWFDLISA-N -1 0 298.338 2.175 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000004614535 304210690 /nfs/dbraw/zinc/21/06/90/304210690.db2.gz PQYZQPSVUBGXDH-KXNHARMFSA-N -1 0 295.722 2.157 40 0 CEABRM CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CCC(=O)[O-] ZINC000299803602 379144587 /nfs/dbraw/zinc/14/45/87/379144587.db2.gz FBXFSASBSCSCPW-QWRGUYRKSA-N -1 0 289.372 2.296 40 0 CEABRM CC(C)c1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016787102 394466352 /nfs/dbraw/zinc/46/63/52/394466352.db2.gz HHNCOUNXKSJNIL-CQSZACIVSA-N -1 0 263.337 2.268 40 0 CEABRM COc1c(Cl)c(C(=O)[O-])nn1Cc1ccccc1 ZINC000096510747 394694427 /nfs/dbraw/zinc/69/44/27/394694427.db2.gz ICKBGDJASBRPIU-UHFFFAOYSA-N -1 0 266.684 2.292 40 0 CEABRM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000003022893 169850096 /nfs/dbraw/zinc/85/00/96/169850096.db2.gz AMXUCLVKMPFYCC-UHFFFAOYSA-N -1 0 299.282 2.044 40 0 CEABRM C=Cc1ccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000005464699 170101827 /nfs/dbraw/zinc/10/18/27/170101827.db2.gz PCRYZCYWMLQANZ-SNVBAGLBSA-N -1 0 276.317 2.010 40 0 CEABRM CC[C@H](Oc1ccc(OC)c2c1C(=O)CCC2)C(=O)[O-] ZINC000005812989 170142335 /nfs/dbraw/zinc/14/23/35/170142335.db2.gz BHFITVWINNJZBK-NSHDSACASA-N -1 0 278.304 2.456 40 0 CEABRM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000005899466 170151874 /nfs/dbraw/zinc/15/18/74/170151874.db2.gz UQHGKGUDLXDGRX-UHFFFAOYSA-N -1 0 290.300 2.105 40 0 CEABRM CC[C@H]1CCc2c(OC)ccc(OCC(=O)[O-])c2C1=O ZINC000006003110 170167071 /nfs/dbraw/zinc/16/70/71/170167071.db2.gz JNPDNMQAHDWJFN-VIFPVBQESA-N -1 0 278.304 2.314 40 0 CEABRM Nc1ccccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000006971680 170259772 /nfs/dbraw/zinc/25/97/72/170259772.db2.gz AVIPECRPMKBIRN-UHFFFAOYSA-N -1 0 271.272 2.324 40 0 CEABRM CCCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 ZINC000020134202 171022271 /nfs/dbraw/zinc/02/22/71/171022271.db2.gz NXJZWYCAONWFSD-VMPITWQZSA-N -1 0 264.277 2.116 40 0 CEABRM O=C([O-])Cc1nc(COc2ccc3ccccc3c2)n[nH]1 ZINC000040175859 174201399 /nfs/dbraw/zinc/20/13/99/174201399.db2.gz OGYWUVALGCDXET-UHFFFAOYSA-N -1 0 283.287 2.164 40 0 CEABRM Cc1nn(-c2ccc(C)c(Cl)c2)nc1C(=O)[O-] ZINC000045920340 175386574 /nfs/dbraw/zinc/38/65/74/175386574.db2.gz DHUOBWZHEQCIMA-UHFFFAOYSA-N -1 0 251.673 2.236 40 0 CEABRM O=C([O-])c1cc(=O)c(OCc2cccc(F)c2)co1 ZINC000045922722 175386637 /nfs/dbraw/zinc/38/66/37/175386637.db2.gz VDCXAZJQZUIIAK-UHFFFAOYSA-N -1 0 264.208 2.056 40 0 CEABRM O=C([O-])C1=CCCN(C(=O)c2ccccc2Cl)C1 ZINC000072226970 176343378 /nfs/dbraw/zinc/34/33/78/176343378.db2.gz KRJBPXSEWQWTHG-UHFFFAOYSA-N -1 0 265.696 2.197 40 0 CEABRM O=C([O-])C1=CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072226971 176343383 /nfs/dbraw/zinc/34/33/83/176343383.db2.gz ZQCNDOFVNMEGBT-UHFFFAOYSA-N -1 0 265.696 2.197 40 0 CEABRM CSc1nc(=O)[n-]c(SCc2ccccc2)n1 ZINC000008642217 260032504 /nfs/dbraw/zinc/03/25/04/260032504.db2.gz OPWNOYLGBKRDKJ-UHFFFAOYSA-N -1 0 265.363 2.179 40 0 CEABRM O=C([O-])C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000048787314 260201862 /nfs/dbraw/zinc/20/18/62/260201862.db2.gz VBTBURGKMCKOJC-UHFFFAOYSA-N -1 0 272.182 2.295 40 0 CEABRM CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)[O-])C[C@H]1C(C)C ZINC000030882254 278118658 /nfs/dbraw/zinc/11/86/58/278118658.db2.gz MORNLBKXSWESOG-IHRRRGAJSA-N -1 0 267.369 2.452 40 0 biogenic,in-vitro CEABRM CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000034555904 278417922 /nfs/dbraw/zinc/41/79/22/278417922.db2.gz OHIYKPXMNWXZQH-RNFRBKRXSA-N -1 0 283.246 2.259 40 0 CEABRM O=S(=O)([O-])CNc1cc(Cl)cc(Cl)c1 ZINC000001580929 304768210 /nfs/dbraw/zinc/76/82/10/304768210.db2.gz XRIXWDICHATRAF-UHFFFAOYSA-N -1 0 256.110 2.251 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](OC2(C(=O)[O-])CCC2)C1 ZINC000409419041 327931954 /nfs/dbraw/zinc/93/19/54/327931954.db2.gz NVEOGLUGCNIXQU-LLVKDONJSA-N -1 0 299.367 2.410 40 0 CEABRM CCCN(c1cc(OC)ccc1OC)[C@H](C)C(=O)[O-] ZINC000260679673 328010382 /nfs/dbraw/zinc/01/03/82/328010382.db2.gz VKCJXSFZQAMHFK-SNVBAGLBSA-N -1 0 267.325 2.393 40 0 CEABRM O=C([O-])c1nnn(C2CCCCC2)c1Br ZINC000218849551 333137243 /nfs/dbraw/zinc/13/72/43/333137243.db2.gz ZBRZBGNMFLXOAH-UHFFFAOYSA-N -1 0 274.118 2.244 40 0 CEABRM COc1cccc(CCCn2cccc(C(=O)[O-])c2=O)c1 ZINC000225791872 333182435 /nfs/dbraw/zinc/18/24/35/333182435.db2.gz PRWQJXNXRRXEFE-UHFFFAOYSA-N -1 0 287.315 2.188 40 0 CEABRM CC(=C([O-])c1ccc(Br)cc1)S(C)(=O)=O ZINC000054929902 524306053 /nfs/dbraw/zinc/30/60/53/524306053.db2.gz RUOJRCMWRIIAKN-ZETCQYMHSA-N -1 0 291.166 2.065 40 0 CEABRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 ZINC000095046756 538891485 /nfs/dbraw/zinc/89/14/85/538891485.db2.gz UCNGOSFNDLTVRC-NSHDSACASA-N -1 0 297.301 2.363 40 0 CEABRM CCc1nc(N2CCc3ccccc3C2)ncc1C(=O)[O-] ZINC000169751162 539257892 /nfs/dbraw/zinc/25/78/92/539257892.db2.gz POULMAHGLFQUEB-UHFFFAOYSA-N -1 0 283.331 2.300 40 0 CEABRM COC(=O)C=C([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000002575896 343351887 /nfs/dbraw/zinc/35/18/87/343351887.db2.gz JSEURXFWCQKLLX-UHFFFAOYSA-N -1 0 268.137 2.128 40 0 CEABRM COc1ccc(Cl)cc1[C@@H]1NC[C@@H](C(=O)[O-])S1 ZINC000005558962 343354861 /nfs/dbraw/zinc/35/48/61/343354861.db2.gz HCLGERQWCBMYNR-VHSXEESVSA-N -1 0 273.741 2.137 40 0 CEABRM COc1cc(/C(C)=C/C(C)=C\C(=O)[O-])oc(=O)c1C ZINC000031168760 343407078 /nfs/dbraw/zinc/40/70/78/343407078.db2.gz PKDNRNGILXMLIA-POEMVANMSA-N -1 0 264.277 2.391 40 0 biogenic,in-vitro CEABRM CC(C)c1nc(COc2ccc(C(=O)[O-])cc2)no1 ZINC000049335868 362354471 /nfs/dbraw/zinc/35/44/71/362354471.db2.gz BYTDSMDVHXPXAU-UHFFFAOYSA-N -1 0 262.265 2.470 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000141210437 344401032 /nfs/dbraw/zinc/40/10/32/344401032.db2.gz ZQITVLMSRVPTCG-VIFPVBQESA-N -1 0 273.210 2.285 40 0 CEABRM C[C@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@@H]12 ZINC000225760861 344547331 /nfs/dbraw/zinc/54/73/31/344547331.db2.gz SWNTYLHTDSLQMT-VRGHQRLXSA-N -1 0 252.232 2.311 40 0 CEABRM O=C([O-])c1cnc(Cc2ccc(Cl)c(Cl)c2)[nH]c1=O ZINC000050103030 362400874 /nfs/dbraw/zinc/40/08/74/362400874.db2.gz OHYBCUIBLNCFMA-UHFFFAOYSA-N -1 0 299.113 2.366 40 0 CEABRM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CC12CCCC2 ZINC000256049561 344647340 /nfs/dbraw/zinc/64/73/40/344647340.db2.gz AKZOJMPKERXPGD-ZDUSSCGKSA-N -1 0 255.314 2.299 40 0 CEABRM CCn1nc(-c2ccncc2)c(Br)c1C(=O)[O-] ZINC000409443282 344890093 /nfs/dbraw/zinc/89/00/93/344890093.db2.gz KJDZHINFAZPTEO-UHFFFAOYSA-N -1 0 296.124 2.426 40 0 CEABRM CC[C@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000064875779 362798922 /nfs/dbraw/zinc/79/89/22/362798922.db2.gz SVMIOOPHLDSQLT-CQSZACIVSA-N -1 0 261.277 2.064 40 0 CEABRM CSc1nc(Cl)cc(N2CCC(C(=O)[O-])CC2)n1 ZINC000072203493 363120717 /nfs/dbraw/zinc/12/07/17/363120717.db2.gz BKYHCPPANKRMRR-UHFFFAOYSA-N -1 0 287.772 2.153 40 0 CEABRM Cc1nnc(S/C(=C\c2ccco2)C(=O)[O-])o1 ZINC000211533529 539904924 /nfs/dbraw/zinc/90/49/24/539904924.db2.gz WGBQJOZWZGHBFE-YVMONPNESA-N -1 0 252.251 2.189 40 0 CEABRM O=C1OCC([O-])=C1c1ccc(Br)cc1 ZINC000199187218 540243014 /nfs/dbraw/zinc/24/30/14/540243014.db2.gz BSGAYQXKDCICFN-UHFFFAOYSA-N -1 0 255.067 2.275 40 0 CEABRM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccccc1C ZINC000000275015 361155332 /nfs/dbraw/zinc/15/53/32/361155332.db2.gz DNJILOSWVKTMGB-UHFFFAOYSA-N -1 0 273.292 2.147 40 0 CEABRM O=C([O-])C1=C(C(=O)Nc2ccccc2)[C@@H]2C=C[C@H]1C2 ZINC000001622814 361212147 /nfs/dbraw/zinc/21/21/47/361212147.db2.gz JGEIUKKXIXCBQA-ZJUUUORDSA-N -1 0 255.273 2.212 40 0 CEABRM Cc1ccc(S(=O)(=O)c2[n-]c(=O)sc2Cl)cc1 ZINC000004247650 361307670 /nfs/dbraw/zinc/30/76/70/361307670.db2.gz CULXIXMNGTVKAB-UHFFFAOYSA-N -1 0 289.765 2.231 40 0 CEABRM Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)[O-] ZINC000004294507 361310934 /nfs/dbraw/zinc/31/09/34/361310934.db2.gz GOHFVPPHNQBYMS-UHFFFAOYSA-N -1 0 257.293 2.421 40 0 CEABRM O=C1[N-]S(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000015443492 361473449 /nfs/dbraw/zinc/47/34/49/361473449.db2.gz AXSIIVGAOIWSJU-UHFFFAOYSA-N -1 0 288.328 2.105 40 0 CEABRM CCOC(=O)c1cnc(C(Cl)(Cl)Cl)[n-]c1=O ZINC000016997998 361500854 /nfs/dbraw/zinc/50/08/54/361500854.db2.gz BUDKBFKKYADAJM-UHFFFAOYSA-N -1 0 285.514 2.186 40 0 CEABRM CC(C)CN1c2ccccc2[C@]2(C[C@@H]2C(=O)[O-])C1=O ZINC000096243450 364417102 /nfs/dbraw/zinc/41/71/02/364417102.db2.gz WFAWDFXVORAIHS-ABAIWWIYSA-N -1 0 259.305 2.032 40 0 CEABRM CCn1ncc2c1[n-]cc(C(=O)c1ccccc1)c2=O ZINC000104230240 364687243 /nfs/dbraw/zinc/68/72/43/364687243.db2.gz HEQMXXONWGAXJA-UHFFFAOYSA-N -1 0 267.288 2.388 40 0 CEABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC(C)C ZINC000216927705 189707263 /nfs/dbraw/zinc/70/72/63/189707263.db2.gz ZQTSOQAFNKJBHI-UHFFFAOYSA-N -1 0 252.339 2.388 40 0 CEABRM CC(C)OCCCNc1ccc(C(=O)[O-])cc1N ZINC000225323068 189746767 /nfs/dbraw/zinc/74/67/67/189746767.db2.gz XQCRDRRNOUASSS-UHFFFAOYSA-N -1 0 252.314 2.194 40 0 CEABRM CNC(=S)Nc1cc(C(=O)[O-])ccc1Br ZINC000216928572 370191817 /nfs/dbraw/zinc/19/18/17/370191817.db2.gz VTWVQSKTFQTFDA-UHFFFAOYSA-N -1 0 289.154 2.064 40 0 CEABRM CCN(c1cc(OC)ccc1OC)[C@@H](C)C(=O)[O-] ZINC000225000777 370283677 /nfs/dbraw/zinc/28/36/77/370283677.db2.gz PFXUVWJSGIGQJP-VIFPVBQESA-N -1 0 253.298 2.003 40 0 CEABRM C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3[C@H](O)C(C)(C)C[C@@]123 ZINC000253388773 371513303 /nfs/dbraw/zinc/51/33/03/371513303.db2.gz WBLTVUMJMJIOGQ-GTZUYCOMSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM Cc1cc2c(c(=O)n1CCC(=O)[O-])C=C1CCCC[C@H]1O2 ZINC000257280529 371611195 /nfs/dbraw/zinc/61/11/95/371611195.db2.gz OLGAGUYSWCRXCM-CYBMUJFWSA-N -1 0 289.331 2.350 40 0 CEABRM Cc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)[O-])cc1 ZINC000408712614 375514623 /nfs/dbraw/zinc/51/46/23/375514623.db2.gz BHJKBCACHKGJSO-UHFFFAOYSA-N -1 0 291.328 2.108 40 0 CEABRM O=C([O-])c1c(Br)cnn1CCC(F)(F)F ZINC000408717154 375516245 /nfs/dbraw/zinc/51/62/45/375516245.db2.gz WJKSPIHKTAHMRW-UHFFFAOYSA-N -1 0 287.035 2.296 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](OC2(C(=O)[O-])CCC2)C1 ZINC000409419046 375521780 /nfs/dbraw/zinc/52/17/80/375521780.db2.gz NVEOGLUGCNIXQU-NSHDSACASA-N -1 0 299.367 2.410 40 0 CEABRM C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000225713846 296309834 /nfs/dbraw/zinc/30/98/34/296309834.db2.gz GIGGCSDKOROSIM-DGTMBMJNSA-N -1 0 277.364 2.300 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000000281974 169596134 /nfs/dbraw/zinc/59/61/34/169596134.db2.gz FANNLHCEDDRGKZ-FQPOAREZSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])c1ccc2c(c1)[nH]c(=S)n(-c1ccccn1)c2=O ZINC000015424415 304253667 /nfs/dbraw/zinc/25/36/67/304253667.db2.gz DBGHKFJDVZVZJH-UHFFFAOYSA-N -1 0 299.311 2.141 40 0 CEABRM O=C([O-])c1cnc(Br)cc1Br ZINC000085221871 304275228 /nfs/dbraw/zinc/27/52/28/304275228.db2.gz GHQFPXZHIYMGLM-UHFFFAOYSA-N -1 0 280.903 2.305 40 0 CEABRM O=C([O-])c1nccn1Cc1ccc(Br)cc1 ZINC000098214012 304284125 /nfs/dbraw/zinc/28/41/25/304284125.db2.gz LEIDCTDFCOLOJC-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM COC(=O)C12C[C@H]3CC(C(=O)[O-])(C[C@@H](C1)CC3)C2 ZINC000000402509 394449198 /nfs/dbraw/zinc/44/91/98/394449198.db2.gz BRXMENPNRZZHOV-XYAOECAESA-N -1 0 252.310 2.221 40 0 CEABRM O=C([N-]n1c(=O)c2ccccc2nc1C1CC1)c1ccco1 ZINC000004388493 394455004 /nfs/dbraw/zinc/45/50/04/394455004.db2.gz GJQBBXVHELWHAV-UHFFFAOYSA-N -1 0 295.298 2.251 40 0 CEABRM Cc1nc(NC(=O)OC(C)(C)C)sc1CC(=O)[O-] ZINC000072220802 394594520 /nfs/dbraw/zinc/59/45/20/394594520.db2.gz BCWXNWHALMNTCE-UHFFFAOYSA-N -1 0 272.326 2.426 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(c2nocc2C(=O)[O-])CC1 ZINC000072207753 394591569 /nfs/dbraw/zinc/59/15/69/394591569.db2.gz OSKQOJOAZCLAKN-UHFFFAOYSA-N -1 0 296.323 2.487 40 0 CEABRM CC(C)n1nc(C(C)(C)C(=O)[O-])c2ccccc2c1=O ZINC000072209251 394592093 /nfs/dbraw/zinc/59/20/93/394592093.db2.gz WZMMVNAPOWQRLF-UHFFFAOYSA-N -1 0 274.320 2.340 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@@H](c1cc(F)cc(F)c1)C2 ZINC000096530354 394698032 /nfs/dbraw/zinc/69/80/32/394698032.db2.gz YGRWMNVXKLYXLW-SNVBAGLBSA-N -1 0 279.246 2.335 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@@H](c1ccc(C)cc1)C2 ZINC000096530352 394698093 /nfs/dbraw/zinc/69/80/93/394698093.db2.gz UHACGJHXBUDECG-LLVKDONJSA-N -1 0 257.293 2.365 40 0 CEABRM COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004612920 169989710 /nfs/dbraw/zinc/98/97/10/169989710.db2.gz RVWGVVNUECLEFH-QOBDMFJFSA-N -1 0 287.315 2.157 40 0 CEABRM O=C(CSc1nc(O)cs1)c1ccccc1 ZINC000005772654 170139312 /nfs/dbraw/zinc/13/93/12/170139312.db2.gz RWFPVFINHPKUSS-UHFFFAOYSA-N -1 0 251.332 2.232 40 0 CEABRM O=C([O-])C[C@H](c1ccccc1)[C@]1(O)OC(=O)c2ccccc21 ZINC000005901581 170152710 /nfs/dbraw/zinc/15/27/10/170152710.db2.gz ICXMPDPXOXESRP-RHSMWYFYSA-N -1 0 298.294 2.261 40 0 CEABRM C[C@@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1 ZINC000006715592 170231508 /nfs/dbraw/zinc/23/15/08/170231508.db2.gz ARNLQRRWEIVOLL-CYDRSHDDSA-N -1 0 288.347 2.006 40 0 CEABRM C[C@@H](Oc1ccc(-n2cccc2C=O)cc1)C(=O)[O-] ZINC000008702368 170347365 /nfs/dbraw/zinc/34/73/65/170347365.db2.gz RXMRCJXMYOQKOJ-SNVBAGLBSA-N -1 0 259.261 2.142 40 0 CEABRM Cc1ccc(Cc2nnc(SCC(=O)[O-])o2)cc1 ZINC000009199304 170366130 /nfs/dbraw/zinc/36/61/30/170366130.db2.gz AGELLAHMCUUCSZ-UHFFFAOYSA-N -1 0 264.306 2.146 40 0 CEABRM CC(C)[C@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000035281441 172100276 /nfs/dbraw/zinc/10/02/76/172100276.db2.gz DVBFGRNIVMWRMB-HNNXBMFYSA-N -1 0 275.304 2.310 40 0 CEABRM Cc1ccc2c(c1)c(Br)nn2CC(=O)[O-] ZINC000218822443 414843713 /nfs/dbraw/zinc/84/37/13/414843713.db2.gz KWOGTQDDXYSJDM-UHFFFAOYSA-N -1 0 269.098 2.192 40 0 CEABRM CC[C@@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000044612072 175217537 /nfs/dbraw/zinc/21/75/37/175217537.db2.gz RBBWNFMGMZSNSC-NSHDSACASA-N -1 0 251.282 2.118 40 0 CEABRM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1CCO ZINC000045952180 175388469 /nfs/dbraw/zinc/38/84/69/175388469.db2.gz QWZRHHSLPJIAPW-UHFFFAOYSA-N -1 0 286.253 2.440 40 0 CEABRM O=C([O-])c1c[nH]nc1Cc1ccc(Br)cc1 ZINC000071980932 176307689 /nfs/dbraw/zinc/30/76/89/176307689.db2.gz YVGWWXOPIJICIT-UHFFFAOYSA-N -1 0 281.109 2.461 40 0 CEABRM O=C([O-])Cc1cnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000078404191 177338384 /nfs/dbraw/zinc/33/83/84/177338384.db2.gz YXFNPJKESHWISH-UHFFFAOYSA-N -1 0 298.220 2.083 40 0 CEABRM CC(C)(C)OC(=O)NCC1(C(=O)[O-])Cc2ccccc2C1 ZINC000095634865 265304945 /nfs/dbraw/zinc/30/49/45/265304945.db2.gz KBEKLIXEPFQAMO-UHFFFAOYSA-N -1 0 291.347 2.381 40 0 CEABRM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2CC(=O)[O-])C1 ZINC000306145621 278380684 /nfs/dbraw/zinc/38/06/84/278380684.db2.gz KTZGWMNXOQYJAK-SECBINFHSA-N -1 0 255.314 2.108 40 0 CEABRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000006270028 301363862 /nfs/dbraw/zinc/36/38/62/301363862.db2.gz KHCKBFYYRCHABB-UHFFFAOYSA-N -1 0 271.729 2.172 40 0 CEABRM Cn1nc(C(=O)[O-])c2c1nccc2-c1ccc(F)cc1 ZINC000072339587 303043030 /nfs/dbraw/zinc/04/30/30/303043030.db2.gz MUPHALGJLSBPQA-UHFFFAOYSA-N -1 0 271.251 2.473 40 0 CEABRM CCCOc1ccccc1/C=C/C(=O)NCCCC(=O)[O-] ZINC000062715093 520471537 /nfs/dbraw/zinc/47/15/37/520471537.db2.gz VLTMBWAEHRMZMJ-MDZDMXLPSA-N -1 0 291.347 2.470 40 0 CEABRM CC(C)(C)c1ccc2c(c1)[nH]c1c2cnn(CC(=O)[O-])c1=O ZINC000408712446 526793283 /nfs/dbraw/zinc/79/32/83/526793283.db2.gz GWSOGJFBXPYBBV-UHFFFAOYSA-N -1 0 299.330 2.260 40 0 CEABRM C=CCN1C(=O)CSC1=Nc1ccc(C(=O)[O-])cc1 ZINC000001194974 343351088 /nfs/dbraw/zinc/35/10/88/343351088.db2.gz CFQNVNIGKFVADR-UHFFFAOYSA-N -1 0 276.317 2.134 40 0 CEABRM C=CC[C@](C)(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000040433962 343437090 /nfs/dbraw/zinc/43/70/90/343437090.db2.gz DXHBBFJWODEUPO-AWEZNQCLSA-N -1 0 263.293 2.332 40 0 CEABRM CSc1nc(N)cc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000049467450 362364118 /nfs/dbraw/zinc/36/41/18/362364118.db2.gz HEBZEOMATUIHKK-UHFFFAOYSA-N -1 0 276.321 2.223 40 0 CEABRM Cc1cccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000208226242 344529556 /nfs/dbraw/zinc/52/95/56/344529556.db2.gz AFEKNDVDRZNYTL-UXBLZVDNSA-N -1 0 277.301 2.116 40 0 CEABRM O=C([O-])c1ccc(N2C(=O)CC[C@H]2C(F)(F)F)cc1 ZINC000256050873 344647323 /nfs/dbraw/zinc/64/73/23/344647323.db2.gz GUXIGXQOQMEWHY-VIFPVBQESA-N -1 0 273.210 2.443 40 0 CEABRM CCc1nc(N(C)CCc2ccccc2)ncc1C(=O)[O-] ZINC000585265870 345009081 /nfs/dbraw/zinc/00/90/81/345009081.db2.gz TUHDAYBAFQUSKC-UHFFFAOYSA-N -1 0 285.347 2.416 40 0 CEABRM O=C([O-])C1(COCc2ccccc2)CCOCC1 ZINC000085390588 179048107 /nfs/dbraw/zinc/04/81/07/179048107.db2.gz PKECYTSHHFJNEY-UHFFFAOYSA-N -1 0 250.294 2.085 40 0 CEABRM COC(=O)c1[nH]c2cccc(OC)c2c1/C=C\C(=O)[O-] ZINC000098090083 185686675 /nfs/dbraw/zinc/68/66/75/185686675.db2.gz OOQHGUAFWCTWSF-SREVYHEPSA-N -1 0 275.260 2.061 40 0 CEABRM CCCCCC(=O)CC[C@H]1C(=O)C[C@H](O)[C@@H]1CCC(=O)[O-] ZINC000064857788 362796498 /nfs/dbraw/zinc/79/64/98/362796498.db2.gz CIXGXJHOQWHINC-NFAWXSAZSA-N -1 0 298.379 2.347 40 0 in-vitro CEABRM O=C([O-])c1cccnc1Nc1ccc2c(c1)OCCO2 ZINC000001329559 361200895 /nfs/dbraw/zinc/20/08/95/361200895.db2.gz LBJGHELWSGEAKA-UHFFFAOYSA-N -1 0 272.260 2.295 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1ccccc1-n1cccc1 ZINC000001748746 361220927 /nfs/dbraw/zinc/22/09/27/361220927.db2.gz KKQLIFKJBGQWIH-BQYQJAHWSA-N -1 0 256.261 2.057 40 0 CEABRM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C1CC1 ZINC000002512000 361236538 /nfs/dbraw/zinc/23/65/38/361236538.db2.gz KTNFIIVAHZGIKA-LBPRGKRZSA-N -1 0 263.293 2.166 40 0 CEABRM CCS(=O)(=O)C(C)=C([O-])c1ccc(Cl)cc1 ZINC000081907138 363747578 /nfs/dbraw/zinc/74/75/78/363747578.db2.gz KFJPNCAIXBYYTJ-QMMMGPOBSA-N -1 0 260.742 2.346 40 0 CEABRM CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000005633015 361333741 /nfs/dbraw/zinc/33/37/41/361333741.db2.gz GLCVPPIHYWFUKB-NSHDSACASA-N -1 0 266.366 2.472 40 0 CEABRM CCCNC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000013813016 361442798 /nfs/dbraw/zinc/44/27/98/361442798.db2.gz MUCWCQAREGSRKC-UHFFFAOYSA-N -1 0 252.339 2.390 40 0 CEABRM COc1ccc(C2(C(=O)[O-])CCC(=O)CC2)cc1F ZINC000084641653 363816941 /nfs/dbraw/zinc/81/69/41/363816941.db2.gz JVGXLTDYPDAJDI-UHFFFAOYSA-N -1 0 266.268 2.300 40 0 CEABRM O=C([O-])c1ccc(OCC(F)(F)C(F)(F)F)nc1 ZINC000095094024 364338753 /nfs/dbraw/zinc/33/87/53/364338753.db2.gz NQUIYQZCZFEXPQ-UHFFFAOYSA-N -1 0 271.141 2.356 40 0 CEABRM CC(C)n1ncc(C(=O)[O-])c1OCc1ccncc1 ZINC000095096616 364340248 /nfs/dbraw/zinc/34/02/48/364340248.db2.gz YDQGAMBXZGCVOK-UHFFFAOYSA-N -1 0 261.281 2.136 40 0 CEABRM COC(=O)c1ccc(-c2ccccc2)nc1C(=O)[O-] ZINC000095097299 364340606 /nfs/dbraw/zinc/34/06/06/364340606.db2.gz NJHULSYWQYFCDN-UHFFFAOYSA-N -1 0 257.245 2.233 40 0 CEABRM COc1ccc(NC(=O)N/C=C/C(=O)[O-])cc1Cl ZINC000222698185 370257042 /nfs/dbraw/zinc/25/70/42/370257042.db2.gz HBMPOMSONDENKW-SNAWJCMRSA-N -1 0 270.672 2.068 40 0 CEABRM O=C([O-])CCc1cnc(Cc2ccc(Cl)cc2)[nH]c1=O ZINC000223446002 370265199 /nfs/dbraw/zinc/26/51/99/370265199.db2.gz ZPMOWHILJHCZKS-UHFFFAOYSA-N -1 0 292.722 2.031 40 0 CEABRM Cc1nc(C(Cl)(Cl)Cl)ncc1C(=O)[O-] ZINC000225011445 370283926 /nfs/dbraw/zinc/28/39/26/370283926.db2.gz DKIXGNUOOXHBDQ-UHFFFAOYSA-N -1 0 255.488 2.310 40 0 CEABRM COc1cccc(Nc2cc(SCC(=O)[O-])ncn2)c1 ZINC000226100385 370329369 /nfs/dbraw/zinc/32/93/69/370329369.db2.gz TZIUKOYLOBIEOK-UHFFFAOYSA-N -1 0 291.332 2.406 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@@H]1c1c(F)cccc1Cl ZINC000085393302 304174866 /nfs/dbraw/zinc/17/48/66/304174866.db2.gz FUQDJZQLAGHPHE-RRAGMBSWSA-N -1 0 258.632 2.168 40 0 CEABRM Cc1nc(=NC(=O)c2ccc(C)c3c2CCC3)s[n-]1 ZINC000333518807 377770564 /nfs/dbraw/zinc/77/05/64/377770564.db2.gz GNDZIQWTLIMHEW-UHFFFAOYSA-N -1 0 273.361 2.318 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1 ZINC000004005815 304211413 /nfs/dbraw/zinc/21/14/13/304211413.db2.gz JSGFJQIPSAHMIO-DNIRFERGSA-N -1 0 257.289 2.148 40 0 CEABRM O=C([O-])c1cnc2cc(-n3cccc3)ccc2c1O ZINC000031795005 304218466 /nfs/dbraw/zinc/21/84/66/304218466.db2.gz VQKCPEQFNFGHQE-UHFFFAOYSA-N -1 0 254.245 2.017 40 0 CEABRM O=C([O-])c1cccc2c1OC(F)(F)C(F)(F)O2 ZINC000091252159 304266057 /nfs/dbraw/zinc/26/60/57/304266057.db2.gz YRMAWBGTXPIGJV-UHFFFAOYSA-N -1 0 252.119 2.342 40 0 CEABRM CC(C)CN1c2ccccc2[C@]2(C[C@H]2C(=O)[O-])C1=O ZINC000096243452 256831794 /nfs/dbraw/zinc/83/17/94/256831794.db2.gz WFAWDFXVORAIHS-NHYWBVRUSA-N -1 0 259.305 2.032 40 0 CEABRM O=C([O-])c1nc2c(cccc2F)n1CC1CCOCC1 ZINC000255189761 304283584 /nfs/dbraw/zinc/28/35/84/304283584.db2.gz RWEQMBFEQLAIEQ-UHFFFAOYSA-N -1 0 278.283 2.300 40 0 CEABRM O=S(=O)([O-])c1cnccc1Nc1ccccc1 ZINC000072210680 394592394 /nfs/dbraw/zinc/59/23/94/394592394.db2.gz ZKKJHAZSVCJUSD-UHFFFAOYSA-N -1 0 250.279 2.072 40 0 CEABRM O=C([O-])Cn1c2ccc(F)cc2nc1C1CCOCC1 ZINC000255187166 394579223 /nfs/dbraw/zinc/57/92/23/394579223.db2.gz BQUCBHMWSXSBQP-UHFFFAOYSA-N -1 0 278.283 2.154 40 0 CEABRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccco1 ZINC000071979844 394591439 /nfs/dbraw/zinc/59/14/39/394591439.db2.gz ZANYQQPNXADLGE-LOIXOFCESA-N -1 0 293.319 2.112 40 0 CEABRM Cc1noc([C@@H](C)NC(=O)c2cccs2)c1C(=O)[O-] ZINC000096297017 394679129 /nfs/dbraw/zinc/67/91/29/394679129.db2.gz BXQWMUMGJRYLFM-SSDOTTSWSA-N -1 0 280.305 2.234 40 0 biogenic,in-vitro CEABRM CC(C)(C)c1[nH]c(=O)c(C(=O)[O-])cc1Br ZINC000096517583 394695179 /nfs/dbraw/zinc/69/51/79/394695179.db2.gz CCCHVGMPIIZSCH-UHFFFAOYSA-N -1 0 274.114 2.133 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1c1cccnc1 ZINC000396422173 395216011 /nfs/dbraw/zinc/21/60/11/395216011.db2.gz IRYZLPTYEPXCMO-RYUDHWBXSA-N -1 0 292.335 2.464 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](C(=O)[O-])[C@H]21 ZINC000205957869 395473717 /nfs/dbraw/zinc/47/37/17/395473717.db2.gz SIRIUJBYRLGXJF-BBBLOLIVSA-N -1 0 255.314 2.107 40 0 CEABRM COCCCNC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000013813041 292362753 /nfs/dbraw/zinc/36/27/53/292362753.db2.gz HXTSPBFYZHXOLF-UHFFFAOYSA-N -1 0 282.365 2.016 40 0 CEABRM Cc1cc(CC(=S)[S-])[n+](C)c(CC(=S)[S-])c1 ZINC000001720694 169750191 /nfs/dbraw/zinc/75/01/91/169750191.db2.gz DMSQGTBOVDICCD-UHFFFAOYSA-O -1 0 288.508 2.419 40 0 CEABRM COc1ccc(O[C@@H](C)C(=O)[O-])c2c1CCCC2=O ZINC000005812994 170142399 /nfs/dbraw/zinc/14/23/99/170142399.db2.gz LKNCTAJZEKSILD-QMMMGPOBSA-N -1 0 264.277 2.066 40 0 CEABRM Cc1n[nH]c(SC(=Cc2cccs2)C(=O)[O-])n1 ZINC000006588351 170216987 /nfs/dbraw/zinc/21/69/87/170216987.db2.gz SQLPXTABTULZKG-YVMONPNESA-N -1 0 267.335 2.392 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000013119520 170533708 /nfs/dbraw/zinc/53/37/08/170533708.db2.gz BGECMOWJZQPCEC-XGUBFFRZSA-N -1 0 287.359 2.092 40 0 CEABRM O=C([O-])c1c[nH]c(=S)n(CCC2=CCCCC2)c1=O ZINC000020156253 171038877 /nfs/dbraw/zinc/03/88/77/171038877.db2.gz VJQNSEBYFARXPZ-UHFFFAOYSA-N -1 0 280.349 2.495 40 0 CEABRM CCCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1OC ZINC000020581620 171257485 /nfs/dbraw/zinc/25/74/85/171257485.db2.gz JZLGODWBMIWNEY-UHFFFAOYSA-N -1 0 296.348 2.007 40 0 CEABRM C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCc1ccccc1 ZINC000026895369 171502233 /nfs/dbraw/zinc/50/22/33/171502233.db2.gz QVPVUFXPEGJBPT-NSHDSACASA-N -1 0 294.351 2.148 40 0 CEABRM O=C([O-])c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000036777973 172694678 /nfs/dbraw/zinc/69/46/78/172694678.db2.gz RPPMYKANIUWEIP-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM CC(C)(C)C(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000020151408 278285163 /nfs/dbraw/zinc/28/51/63/278285163.db2.gz IUOJJFMAJWRMBD-UHFFFAOYSA-N -1 0 294.376 2.173 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CC(=O)[O-])C1 ZINC000169805771 278382026 /nfs/dbraw/zinc/38/20/26/278382026.db2.gz CDPKCMBZNPLVGZ-MRVPVSSYSA-N -1 0 279.283 2.353 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)[O-])C1 ZINC000016697107 278389720 /nfs/dbraw/zinc/38/97/20/278389720.db2.gz UZJNJAMJSKLINB-GFVADAIESA-N -1 0 255.314 2.274 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H]2C(=O)[O-])C1 ZINC000306145487 278393675 /nfs/dbraw/zinc/39/36/75/278393675.db2.gz GQGNNAJDLFBKIP-IINYFYTJSA-N -1 0 269.341 2.498 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000090635753 278415763 /nfs/dbraw/zinc/41/57/63/278415763.db2.gz SFBZDQKMJLUZQF-LPEHRKFASA-N -1 0 255.314 2.107 40 0 CEABRM C[C@H]1Cc2cc(Br)cc(C(=O)[O-])c2O1 ZINC000096952308 300542445 /nfs/dbraw/zinc/54/24/45/300542445.db2.gz JKACRIPAJIUBIR-YFKPBYRVSA-N -1 0 257.083 2.471 40 0 CEABRM Cc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000002571478 302106028 /nfs/dbraw/zinc/10/60/28/302106028.db2.gz NACSDXKETBDIMH-WVWOOGAGSA-N -1 0 271.316 2.456 40 0 CEABRM Nc1cc(C(=O)[O-])c(Br)cc1Cl ZINC000040571559 303493359 /nfs/dbraw/zinc/49/33/59/303493359.db2.gz XABXPJNDUNWRFB-UHFFFAOYSA-N -1 0 250.479 2.383 40 0 CEABRM C[C@@H](Cn1ncc(Br)c1C(F)F)C(=O)[O-] ZINC000408717069 534274358 /nfs/dbraw/zinc/27/43/58/534274358.db2.gz VMILMDNVBBASDZ-BYPYZUCNSA-N -1 0 283.072 2.304 40 0 CEABRM O=C([O-])[C@@H]1OC(c2cccc(Cl)c2)=NC12CC2 ZINC000006480394 230369712 /nfs/dbraw/zinc/36/97/12/230369712.db2.gz GTAKFTHYXMGZGB-VIFPVBQESA-N -1 0 251.669 2.103 40 0 CEABRM O=C([O-])c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000095831348 185029750 /nfs/dbraw/zinc/02/97/50/185029750.db2.gz LOEQJTGFMWZFBM-UHFFFAOYSA-N -1 0 280.283 2.212 40 0 CEABRM O=C([O-])C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000036635220 361849126 /nfs/dbraw/zinc/84/91/26/361849126.db2.gz DQZYRCPWEVAJNC-MRVPVSSYSA-N -1 0 285.708 2.383 40 0 CEABRM Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O ZINC000008477185 343362963 /nfs/dbraw/zinc/36/29/63/343362963.db2.gz OMSSPPRBVVMDEQ-GXDHUFHOSA-N -1 0 298.342 2.399 40 0 CEABRM COC(=O)Cn1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000559566 343351112 /nfs/dbraw/zinc/35/11/12/343351112.db2.gz BVVUWNNJKNXTCM-UHFFFAOYSA-N -1 0 293.344 2.407 40 0 CEABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(N)=O)cc1 ZINC000000559540 343351189 /nfs/dbraw/zinc/35/11/89/343351189.db2.gz ARQVFGXRSYJODH-UHFFFAOYSA-N -1 0 287.319 2.103 40 0 CEABRM Cc1nc(-c2ccc(Cl)cc2)n(O)c1C(=O)[O-] ZINC000075394494 343851119 /nfs/dbraw/zinc/85/11/19/343851119.db2.gz UMGFMBPCJJRXNY-UHFFFAOYSA-N -1 0 252.657 2.447 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466584 362364216 /nfs/dbraw/zinc/36/42/16/362364216.db2.gz LBTSSENZJINNDI-QKCSRTOESA-N -1 0 261.321 2.459 40 0 CEABRM Nc1cc(SCC(=O)[O-])nc(-c2ccccc2F)n1 ZINC000049470002 362365531 /nfs/dbraw/zinc/36/55/31/362365531.db2.gz RBCHAGQYVYQZPY-UHFFFAOYSA-N -1 0 279.296 2.042 40 0 CEABRM CCc1nc(SC(=Cc2ccco2)C(=O)[O-])n[nH]1 ZINC000213395900 344532478 /nfs/dbraw/zinc/53/24/78/344532478.db2.gz BNESTAZZRIYXHQ-VURMDHGXSA-N -1 0 265.294 2.178 40 0 CEABRM O=C([O-])c1cn(Cc2ccc(Br)s2)cn1 ZINC000236477403 344596109 /nfs/dbraw/zinc/59/61/09/344596109.db2.gz NNFBVBNVLJTFRM-UHFFFAOYSA-N -1 0 287.138 2.454 40 0 CEABRM CCCNc1nn(-c2ccccc2OCC)nc1C(=O)[O-] ZINC000256046167 344647036 /nfs/dbraw/zinc/64/70/36/344647036.db2.gz DGFMJZZCBXPECQ-UHFFFAOYSA-N -1 0 290.323 2.186 40 0 CEABRM COC(=O)[C@H](C)n1[n-]c(-c2cccs2)cc1=O ZINC000409440367 344889600 /nfs/dbraw/zinc/88/96/00/344889600.db2.gz SOZQPBHGOCUZHO-ZETCQYMHSA-N -1 0 252.295 2.051 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N1c1cccc2ccccc21 ZINC000409438432 344889690 /nfs/dbraw/zinc/88/96/90/344889690.db2.gz CPWFDFFXEURFCT-CYBMUJFWSA-N -1 0 255.273 2.420 40 0 CEABRM CCOC(=O)c1c[n-]c2c(OC)cc(C)cc2c1=O ZINC000064874650 362796776 /nfs/dbraw/zinc/79/67/76/362796776.db2.gz VAMAOSPNRVIXLC-UHFFFAOYSA-N -1 0 261.277 2.022 40 0 CEABRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000019517590 304095275 /nfs/dbraw/zinc/09/52/75/304095275.db2.gz WFEFMIVPBQYUKA-OLZOCXBDSA-N -1 0 259.305 2.285 40 0 CEABRM CCc1cc2c(nc(C)nc2N[C@H](C)C(=O)[O-])s1 ZINC000000572974 361188475 /nfs/dbraw/zinc/18/84/75/361188475.db2.gz ICXSLMCMDCTVJJ-ZCFIWIBFSA-N -1 0 265.338 2.447 40 0 CEABRM O=S(=O)([O-])O[C@H]1CCCC[C@H]1Nc1ccccc1 ZINC000001711765 361218533 /nfs/dbraw/zinc/21/85/33/361218533.db2.gz OWOGFSMTAPRCJP-NEPJUHHUSA-N -1 0 271.338 2.229 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000003096476 361263554 /nfs/dbraw/zinc/26/35/54/361263554.db2.gz NHTGKYUWYFNJEU-FQPOAREZSA-N -1 0 275.279 2.287 40 0 CEABRM C[C@H]1CCC[C@H](C)N1C(=O)[N-]C(=O)C(F)(F)F ZINC000005447128 361331717 /nfs/dbraw/zinc/33/17/17/361331717.db2.gz ZHKJXSSAMZHLBW-BQBZGAKWSA-N -1 0 252.236 2.048 40 0 CEABRM Cc1cc2nc([C@@H](C)NC(=O)OC(C)(C)C)cc(=O)n2[n-]1 ZINC000019129739 361521723 /nfs/dbraw/zinc/52/17/23/361521723.db2.gz OQJIXJWZIQALNT-SECBINFHSA-N -1 0 292.339 2.329 40 0 CEABRM CC/C=C(/C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000094743401 364291285 /nfs/dbraw/zinc/29/12/85/364291285.db2.gz SIXIEHUVXACYFM-XHXQXFLYSA-N -1 0 253.342 2.492 40 0 CEABRM CCS[C@H]1CC(=O)N(c2cc(C(=O)[O-])ccc2C)C1=O ZINC000096301189 364420183 /nfs/dbraw/zinc/42/01/83/364420183.db2.gz CSQWXOUOTGOOHG-NSHDSACASA-N -1 0 293.344 2.078 40 0 CEABRM CCCC(=O)NCc1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000100229485 364542513 /nfs/dbraw/zinc/54/25/13/364542513.db2.gz WQLHPPCKQKFDJJ-UHFFFAOYSA-N -1 0 290.367 2.149 40 0 CEABRM CC[C@@H](C)N(CC)C(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000100486997 364546712 /nfs/dbraw/zinc/54/67/12/364546712.db2.gz LOVSRDCEAGXGQK-SNVBAGLBSA-N -1 0 267.369 2.208 40 0 CEABRM Cc1nc2n(n1)[C@@H](c1c[nH]c3ccccc31)CC(C(=O)[O-])=N2 ZINC000102334137 364590065 /nfs/dbraw/zinc/59/00/65/364590065.db2.gz VJXPEIBECFVPQU-CYBMUJFWSA-N -1 0 295.302 2.051 40 0 CEABRM Cc1ccc(C(=O)[O-])c(F)c1I ZINC000117201374 365096711 /nfs/dbraw/zinc/09/67/11/365096711.db2.gz PAAKRIQUPXJQIW-UHFFFAOYSA-N -1 0 280.036 2.437 40 0 CEABRM CCO[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000221028922 189723731 /nfs/dbraw/zinc/72/37/31/189723731.db2.gz SZOGYMDQMHFLJG-SNVBAGLBSA-N -1 0 273.126 2.481 40 0 CEABRM O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000035572298 304134042 /nfs/dbraw/zinc/13/40/42/304134042.db2.gz XHVLNZYOGDJEAN-ZDUSSCGKSA-N -1 0 289.331 2.273 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000003096474 304155835 /nfs/dbraw/zinc/15/58/35/304155835.db2.gz NHTGKYUWYFNJEU-GAQJKIJGSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000169794903 304155920 /nfs/dbraw/zinc/15/59/20/304155920.db2.gz XJQBGWKOMFMYOM-HYRRULHTSA-N -1 0 293.269 2.426 40 0 CEABRM C[C@H]1Cc2cc(C(=O)[O-])cc(Br)c2O1 ZINC000214584825 370171625 /nfs/dbraw/zinc/17/16/25/370171625.db2.gz SZPIKUCGUXXTDB-YFKPBYRVSA-N -1 0 257.083 2.471 40 0 CEABRM O=C([O-])CCCSc1n[nH]c(COc2ccccc2)n1 ZINC000224978092 370283918 /nfs/dbraw/zinc/28/39/18/370283918.db2.gz SVSAISBZBUVWOB-UHFFFAOYSA-N -1 0 293.348 2.341 40 0 CEABRM O=C([O-])CCSc1n[nH]c(-c2cccs2)n1 ZINC000224972428 370283939 /nfs/dbraw/zinc/28/39/39/370283939.db2.gz QETCDSLIOJNEBS-UHFFFAOYSA-N -1 0 255.324 2.100 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(OCC(=O)[O-])cc1 ZINC000408586372 375513381 /nfs/dbraw/zinc/51/33/81/375513381.db2.gz ODTCYSONQQIVHY-UHFFFAOYSA-N -1 0 282.365 2.235 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](OC2(C(=O)[O-])CCC2)C1 ZINC000409418955 375521305 /nfs/dbraw/zinc/52/13/05/375521305.db2.gz IUKAXXLAHCHHFR-JTQLQIEISA-N -1 0 285.340 2.020 40 0 CEABRM O=C([O-])c1cccc2c3c([nH]c21)-c1nonc1CC3 ZINC000006658389 304266367 /nfs/dbraw/zinc/26/63/67/304266367.db2.gz PUMXRTRBYUYYJS-UHFFFAOYSA-N -1 0 255.233 2.015 40 0 CEABRM Cc1nc(CN2CCC(CC(=O)[O-])CC2)cs1 ZINC000093680827 184705438 /nfs/dbraw/zinc/70/54/38/184705438.db2.gz OXZISMYSDRABKP-UHFFFAOYSA-N -1 0 254.355 2.138 40 0 CEABRM O=C([O-])c1nnn(Cc2ccc(Cl)cc2)c1Cl ZINC000072220890 394594657 /nfs/dbraw/zinc/59/46/57/394594657.db2.gz JTJHVDPUKLKUKW-UHFFFAOYSA-N -1 0 272.091 2.331 40 0 CEABRM O=C([O-])c1ccn(-c2cc(C3CC3)nc(C3CC3)n2)n1 ZINC000096517417 394695019 /nfs/dbraw/zinc/69/50/19/394695019.db2.gz YUWXLTIGCVROSJ-UHFFFAOYSA-N -1 0 270.292 2.115 40 0 CEABRM O=c1c(Br)c[n-]c(F)c1Br ZINC000014982585 296589171 /nfs/dbraw/zinc/58/91/71/296589171.db2.gz IEHCZDGDDFNSJP-UHFFFAOYSA-N -1 0 270.883 2.451 40 0 CEABRM C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000005043048 299810376 /nfs/dbraw/zinc/81/03/76/299810376.db2.gz JJEIOIDRCVNOLC-GLBINXAQSA-N -1 0 279.380 2.428 40 0 CEABRM O=S(=O)([O-])OCCOc1ccc(Cl)cc1Cl ZINC000001692372 169743708 /nfs/dbraw/zinc/74/37/08/169743708.db2.gz HJEINPVZRDJRBY-UHFFFAOYSA-N -1 0 287.120 2.192 40 0 in-vitro CEABRM O=C([O-])c1ccccc1C(=O)OCCc1ccccn1 ZINC000005589382 170116773 /nfs/dbraw/zinc/11/67/73/170116773.db2.gz ORRAKILSINEFDT-UHFFFAOYSA-N -1 0 271.272 2.179 40 0 CEABRM CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195039 170366144 /nfs/dbraw/zinc/36/61/44/170366144.db2.gz RLNYEUKUKWJOGC-WRWGMCAJSA-N -1 0 255.358 2.428 40 0 CEABRM O=C([O-])[C@H](NC(=O)OCc1ccccc1)c1ccco1 ZINC000015446590 170667216 /nfs/dbraw/zinc/66/72/16/170667216.db2.gz JKQGTYDVJBARBW-GFCCVEGCSA-N -1 0 275.260 2.332 40 0 CEABRM O=C([O-])c1c[nH]c(=S)n(-c2ccc(Cl)cc2)c1=O ZINC000020156283 171039021 /nfs/dbraw/zinc/03/90/21/171039021.db2.gz ZIJKMLBFXXHTLP-UHFFFAOYSA-N -1 0 282.708 2.247 40 0 CEABRM C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@H]3[C@@H](O)C(C)(C)C[C@]132 ZINC000035465673 172212952 /nfs/dbraw/zinc/21/29/52/172212952.db2.gz WBLTVUMJMJIOGQ-RZJSXJPMSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM CC(C)c1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1 ZINC000011727225 414747171 /nfs/dbraw/zinc/74/71/71/414747171.db2.gz MVYJWKBYGRPQTL-ZDUSSCGKSA-N -1 0 261.321 2.386 40 0 CEABRM CCC/C=C/C=C/[C@@H](CCC(=O)OC)[C@H](CO)C(=O)[O-] ZINC000049181466 175467283 /nfs/dbraw/zinc/46/72/83/175467283.db2.gz PVHUKALHRBPQNM-GOOSARAOSA-N -1 0 284.352 2.161 40 0 biogenic,in-vitro CEABRM CCN(CC(=O)[O-])c1ccc(Br)cc1 ZINC000076665330 177050454 /nfs/dbraw/zinc/05/04/54/177050454.db2.gz MXOAZJGPKQBDJY-UHFFFAOYSA-N -1 0 258.115 2.360 40 0 CEABRM CC(C)(C)OC(=O)N1CC(F)(F)C(C)(C)[C@H]1C(=O)[O-] ZINC000019615400 278379075 /nfs/dbraw/zinc/37/90/75/278379075.db2.gz BEKSOLPMSVHHRU-SSDOTTSWSA-N -1 0 279.283 2.352 40 0 CEABRM Cc1c(=O)[nH]c(C=CC(Cl)(Cl)Cl)nc1C(=O)[O-] ZINC000001761186 300908161 /nfs/dbraw/zinc/90/81/61/300908161.db2.gz PQNRTEPNOPYKOE-NSCUHMNNSA-N -1 0 297.525 2.160 40 0 CEABRM CCOc1ccc2c(c1)c(NC(C)=O)c(C(=O)[O-])n2C ZINC000006870555 327730145 /nfs/dbraw/zinc/73/01/45/327730145.db2.gz SOJIAFHJCLMQMZ-UHFFFAOYSA-N -1 0 276.292 2.234 40 0 CEABRM CC(C)(C)OC(=O)NCCCc1cccc(C(=O)[O-])n1 ZINC000228940685 518830784 /nfs/dbraw/zinc/83/07/84/518830784.db2.gz RBYBYZSYSIBQFN-UHFFFAOYSA-N -1 0 280.324 2.237 40 0 CEABRM CCCOc1ccccc1/C=C/C(=O)N[C@H](C)C(=O)[O-] ZINC000033440842 361779284 /nfs/dbraw/zinc/77/92/84/361779284.db2.gz RAEYFRHMZXUKOL-ANYFNZRUSA-N -1 0 277.320 2.078 40 0 CEABRM CCOc1ccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000036635215 361849283 /nfs/dbraw/zinc/84/92/83/361849283.db2.gz GUGFEPIVXVQZBK-JTQLQIEISA-N -1 0 295.316 2.128 40 0 CEABRM O=C([O-])c1cc(Br)c2c(c1)CCC(=O)N2 ZINC000041629102 362043902 /nfs/dbraw/zinc/04/39/02/362043902.db2.gz SRJHNXYIBCRNFI-UHFFFAOYSA-N -1 0 270.082 2.032 40 0 CEABRM Cc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)[O-])c(C)c1 ZINC000044563682 362155940 /nfs/dbraw/zinc/15/59/40/362155940.db2.gz NRKQBAJOXJHZNM-GFCCVEGCSA-N -1 0 259.305 2.266 40 0 CEABRM Cc1nnc(S/C(=C\c2ccccc2O)C(=O)[O-])o1 ZINC000007603541 343359093 /nfs/dbraw/zinc/35/90/93/343359093.db2.gz WJYCGEQZSPEJFO-POHAHGRESA-N -1 0 278.289 2.301 40 0 CEABRM O=C(Nc1ccc(F)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000028210275 343396541 /nfs/dbraw/zinc/39/65/41/343396541.db2.gz SJPQKZMMZCMEKZ-UHFFFAOYSA-N -1 0 283.262 2.315 40 0 CEABRM C[C@@H]1[C@H](CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000095726781 344237351 /nfs/dbraw/zinc/23/73/51/344237351.db2.gz JRYHLFUVYYTHKY-ZJUUUORDSA-N -1 0 257.330 2.497 40 0 CEABRM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CC(F)(F)C1 ZINC000208725306 344529899 /nfs/dbraw/zinc/52/98/99/344529899.db2.gz AICPFFSPPXEEKL-NSHDSACASA-N -1 0 299.273 2.365 40 0 CEABRM CCN(CC)c1nn(-c2ccccc2Cl)nc1C(=O)[O-] ZINC000256048980 344647034 /nfs/dbraw/zinc/64/70/34/344647034.db2.gz XLOQZISBPPEYDM-UHFFFAOYSA-N -1 0 294.742 2.465 40 0 CEABRM CCn1nc(C(F)(F)F)c(Br)c1C(=O)[O-] ZINC000379775013 344821144 /nfs/dbraw/zinc/82/11/44/344821144.db2.gz IWKJEBOOGXPMHG-UHFFFAOYSA-N -1 0 287.035 2.383 40 0 CEABRM COC(=O)[C@@H](C)n1[n-]c(-c2ccsc2)cc1=O ZINC000409437280 344889177 /nfs/dbraw/zinc/88/91/77/344889177.db2.gz FPRSEVKFMVSFEZ-SSDOTTSWSA-N -1 0 252.295 2.051 40 0 CEABRM CCCOc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000085394654 179048942 /nfs/dbraw/zinc/04/89/42/179048942.db2.gz CNONTBIMBXDNNI-WCQYABFASA-N -1 0 264.277 2.164 40 0 CEABRM CC(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000062826293 362724047 /nfs/dbraw/zinc/72/40/47/362724047.db2.gz BJKMAIQTMOWCEQ-UHFFFAOYSA-N -1 0 258.071 2.106 40 0 CEABRM O=C([O-])c1cnn(-c2cccc(OC(F)(F)F)c2)c1 ZINC000091301232 180128663 /nfs/dbraw/zinc/12/86/63/180128663.db2.gz QJZRXIHEYXKEMW-UHFFFAOYSA-N -1 0 272.182 2.469 40 0 CEABRM CN(C)c1ncc(-c2cc(C(=O)[O-])n(CC3CC3)c2)cn1 ZINC000104836681 186027948 /nfs/dbraw/zinc/02/79/48/186027948.db2.gz YJGPZQFUTPKZJL-UHFFFAOYSA-N -1 0 286.335 2.119 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000104887520 186029909 /nfs/dbraw/zinc/02/99/09/186029909.db2.gz WXBYICHGFLMFPY-WAYYCVMKSA-N -1 0 297.314 2.024 40 0 CEABRM Cc1cc2c(=O)ccn(CC(=O)[O-])c2cc1Cl ZINC000072237450 363122313 /nfs/dbraw/zinc/12/23/13/363122313.db2.gz QLCXLDHOWIQLHO-UHFFFAOYSA-N -1 0 251.669 2.048 40 0 CEABRM C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1 ZINC000006715589 299219143 /nfs/dbraw/zinc/21/91/43/299219143.db2.gz ARNLQRRWEIVOLL-BQQXIIOZSA-N -1 0 288.347 2.006 40 0 CEABRM O=C([O-])CCCNc1ncc2c(n1)-c1ccccc1OC2 ZINC000001651212 361213442 /nfs/dbraw/zinc/21/34/42/361213442.db2.gz BLGUTJMVLOQHIW-UHFFFAOYSA-N -1 0 285.303 2.313 40 0 CEABRM O=c1cc([O-])c2sc(NCc3ccccc3)nc2[nH]1 ZINC000012376505 361380891 /nfs/dbraw/zinc/38/08/91/361380891.db2.gz VLYXKVPIMSSQCH-UHFFFAOYSA-N -1 0 273.317 2.302 40 0 CEABRM CCOC(=O)c1c[n-]c2cc(Cl)cc(OC)c2c1=O ZINC000016982783 361500861 /nfs/dbraw/zinc/50/08/61/361500861.db2.gz UEASNPAQATXGSU-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)[O-])[C@@H]31)O2 ZINC000019218094 361523181 /nfs/dbraw/zinc/52/31/81/361523181.db2.gz FRVUCLJWARTEMG-APGPQJPKSA-N -1 0 272.300 2.440 40 0 CEABRM CCNC(=S)Nc1ccc(C(=O)[O-])cc1Cl ZINC000225155646 189744315 /nfs/dbraw/zinc/74/43/15/189744315.db2.gz MGEVKNSFGNXPIB-UHFFFAOYSA-N -1 0 258.730 2.345 40 0 CEABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC1CC1 ZINC000216927293 370191636 /nfs/dbraw/zinc/19/16/36/370191636.db2.gz IMFSMOJYCDUKRM-UHFFFAOYSA-N -1 0 250.323 2.142 40 0 CEABRM O=C([O-])c1cnc(Cc2cccc3ccccc32)[nH]c1=O ZINC000217383768 370195768 /nfs/dbraw/zinc/19/57/68/370195768.db2.gz LEEGXNVBZZHKIC-UHFFFAOYSA-N -1 0 280.283 2.212 40 0 CEABRM COc1ccc(C[C@H](OCC(C)C)C(=O)[O-])c(OC)c1 ZINC000225114100 370285695 /nfs/dbraw/zinc/28/56/95/370285695.db2.gz VPKIHLORJXMRJV-AWEZNQCLSA-N -1 0 282.336 2.372 40 0 CEABRM CCCNC(=S)Nc1ccc(C(=O)[O-])cc1C ZINC000225154684 370286807 /nfs/dbraw/zinc/28/68/07/370286807.db2.gz UKSXJIDQHBNQHX-UHFFFAOYSA-N -1 0 252.339 2.390 40 0 CEABRM Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)s1 ZINC000409139592 375519793 /nfs/dbraw/zinc/51/97/93/375519793.db2.gz BJHCKBDUJPQDEE-XBXARRHUSA-N -1 0 283.330 2.177 40 0 CEABRM O=C([O-])C1(CC(=O)N2CCOCC2)CCCCCCC1 ZINC000072209743 394592405 /nfs/dbraw/zinc/59/24/05/394592405.db2.gz LDRYXMNIKXDDLH-UHFFFAOYSA-N -1 0 283.368 2.051 40 0 CEABRM CC(C)Oc1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])cc1 ZINC000062709452 394569924 /nfs/dbraw/zinc/56/99/24/394569924.db2.gz ZWIFJOFZZMLJOK-CYBMUJFWSA-N -1 0 277.320 2.049 40 0 CEABRM CCC[C@@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000064875791 394573042 /nfs/dbraw/zinc/57/30/42/394573042.db2.gz QJMTXSSIKUIELV-HNNXBMFYSA-N -1 0 275.304 2.455 40 0 CEABRM CC(C)n1nc([C@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000072209268 394591938 /nfs/dbraw/zinc/59/19/38/394591938.db2.gz HDYOOUZOCWAFOS-VIFPVBQESA-N -1 0 260.293 2.166 40 0 CEABRM C[C@H](c1cccc(Cl)c1)n1cc(C(=O)[O-])nn1 ZINC000096510216 394692838 /nfs/dbraw/zinc/69/28/38/394692838.db2.gz FSJJNRPAUUMIIW-SSDOTTSWSA-N -1 0 251.673 2.239 40 0 CEABRM O=C([O-])c1cn(-c2cc(C(F)(F)F)nc(C3CC3)n2)cn1 ZINC000096517364 394695001 /nfs/dbraw/zinc/69/50/01/394695001.db2.gz NMHMFOAJYCMNAK-UHFFFAOYSA-N -1 0 298.224 2.257 40 0 CEABRM CCC1(C)CC(=O)N(C/C=C(\C)CCC(=O)[O-])C(=O)C1 ZINC000001702092 169745200 /nfs/dbraw/zinc/74/52/00/169745200.db2.gz VNFDZELZTRNPQS-YRNVUSSQSA-N -1 0 281.352 2.363 40 0 CEABRM CC(C)C[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000003175969 169865270 /nfs/dbraw/zinc/86/52/70/169865270.db2.gz OHTKVDOCUSBJJA-LLVKDONJSA-N -1 0 250.298 2.307 40 0 CEABRM O=C([O-])CSc1nnc(-c2ccccc2)s1 ZINC000005934634 170157462 /nfs/dbraw/zinc/15/74/62/170157462.db2.gz KASGLGRECIHPOP-UHFFFAOYSA-N -1 0 252.320 2.382 40 0 CEABRM O=C([O-])CSCC(=O)c1ccc(Br)cc1 ZINC000006471977 170203774 /nfs/dbraw/zinc/20/37/74/170203774.db2.gz UXTMAKHYTCABON-UHFFFAOYSA-N -1 0 289.150 2.450 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000006728738 170234115 /nfs/dbraw/zinc/23/41/15/170234115.db2.gz BMMLNQKDAJPMDU-BCWBERDBSA-N -1 0 293.269 2.426 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(C)C ZINC000013813027 170597039 /nfs/dbraw/zinc/59/70/39/170597039.db2.gz GFHMDVZZPOSWFD-UHFFFAOYSA-N -1 0 252.339 2.388 40 0 CEABRM CC(C)CCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000020136764 171024850 /nfs/dbraw/zinc/02/48/50/171024850.db2.gz FKUJRNJNJMRYOB-UHFFFAOYSA-N -1 0 251.282 2.465 40 0 CEABRM O=C([O-])c1ccc(=O)n(Cc2ccc(Cl)s2)c1 ZINC000021504710 171307176 /nfs/dbraw/zinc/30/71/76/171307176.db2.gz BJXYNYOGVMBFEY-UHFFFAOYSA-N -1 0 269.709 2.310 40 0 CEABRM CN1CCC[C@@H]1c1csc([N-]c2ncccn2)n1 ZINC000072384589 176388604 /nfs/dbraw/zinc/38/86/04/176388604.db2.gz MSXVZYZALHYLRV-SNVBAGLBSA-N -1 0 261.354 2.443 40 0 CEABRM O=C([O-])c1sc(N2CCCC2)nc1C(F)(F)F ZINC000077600578 177283321 /nfs/dbraw/zinc/28/33/21/177283321.db2.gz XNDFRSCTSOXWHD-UHFFFAOYSA-N -1 0 266.244 2.460 40 0 CEABRM Cc1ccc(NCCc2noc(CCC(=O)[O-])n2)cc1 ZINC000078400999 177337693 /nfs/dbraw/zinc/33/76/93/177337693.db2.gz JNHPAGKPQROXGO-UHFFFAOYSA-N -1 0 275.308 2.050 40 0 CEABRM O=c1cc(Cc2ccccc2)nc2[n-]c(C(F)(F)F)nn21 ZINC000014164044 261784732 /nfs/dbraw/zinc/78/47/32/261784732.db2.gz DJTJZKCOACCZLK-UHFFFAOYSA-N -1 0 294.236 2.027 40 0 CEABRM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1cccc(C)c1 ZINC000000355965 278075109 /nfs/dbraw/zinc/07/51/09/278075109.db2.gz NSPMXKUWUQZFIF-NEPJUHHUSA-N -1 0 265.334 2.042 40 0 CEABRM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccncc2)N1 ZINC000001507715 280072446 /nfs/dbraw/zinc/07/24/46/280072446.db2.gz GSKJQFXGSBOGKF-CABCVRRESA-N -1 0 293.326 2.251 40 0 CEABRM CC1(C)Cc2occc2[C@@H](NC(=O)CCC(=O)[O-])C1 ZINC000005126476 281376835 /nfs/dbraw/zinc/37/68/35/281376835.db2.gz BSNOOAGXUYFBJW-JTQLQIEISA-N -1 0 265.309 2.274 40 0 CEABRM Cc1cc(C)cc(OCc2ncc(C(=O)[O-])cn2)c1 ZINC000058042373 301228706 /nfs/dbraw/zinc/22/87/06/301228706.db2.gz NETRGDPFSLTVCQ-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM Cc1ccc(-n2nc(C(=O)[O-])c(C(F)(F)F)n2)cc1 ZINC000089263355 301478058 /nfs/dbraw/zinc/47/80/58/301478058.db2.gz MDQSVKDKNVQOSD-UHFFFAOYSA-N -1 0 271.198 2.293 40 0 CEABRM Cc1cnn2c1nc(-c1cccs1)cc2C(=O)[O-] ZINC000095098671 302404155 /nfs/dbraw/zinc/40/41/55/302404155.db2.gz FWBWRXGLFWHTQO-UHFFFAOYSA-N -1 0 259.290 2.464 40 0 CEABRM N#[N+]c1cc(S(=O)(=O)[O-])c2ccccc2c1[O-] ZINC000005935021 303219044 /nfs/dbraw/zinc/21/90/44/303219044.db2.gz TUXAJHDLJHMOQB-UHFFFAOYSA-O -1 0 251.243 2.277 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]1C(F)(F)F ZINC000225754743 333182318 /nfs/dbraw/zinc/18/23/18/333182318.db2.gz HTWYRHWSBFSGNX-RNFRBKRXSA-N -1 0 283.246 2.401 40 0 CEABRM CCNc1nc(Br)c(C(=O)[O-])nc1Cl ZINC000225748723 333182433 /nfs/dbraw/zinc/18/24/33/333182433.db2.gz BMYQBEKMGGPWTG-UHFFFAOYSA-N -1 0 280.509 2.023 40 0 CEABRM CC(C)n1cc(Br)c(-c2n[n-]c(=N)s2)n1 ZINC000408717544 528544971 /nfs/dbraw/zinc/54/49/71/528544971.db2.gz GWUOQMWFXJZOSL-UHFFFAOYSA-N -1 0 288.174 2.158 40 0 CEABRM O=C([O-])CNC(=O)/C=C/c1cccc2ccccc12 ZINC000033435564 361779098 /nfs/dbraw/zinc/77/90/98/361779098.db2.gz YQZANYHCUNGGBT-CMDGGOBGSA-N -1 0 255.273 2.054 40 0 CEABRM C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-] ZINC000033440105 361779218 /nfs/dbraw/zinc/77/92/18/361779218.db2.gz LIRJVJAVROQKIR-PBQZMEPESA-N -1 0 269.300 2.442 40 0 CEABRM CCOC(=O)c1ccc(NC=C2SC([O-])=NC2=O)cc1 ZINC000036636141 361849071 /nfs/dbraw/zinc/84/90/71/361849071.db2.gz LJADWEMRAZNDEU-YFHOEESVSA-N -1 0 292.316 2.100 40 0 CEABRM Cc1ccccc1N1C(=O)S[C@H](CC(=O)[O-])C1=O ZINC000036635190 361849791 /nfs/dbraw/zinc/84/97/91/361849791.db2.gz WUOLFMSEIMMBQH-SECBINFHSA-N -1 0 265.290 2.038 40 0 CEABRM O=C([O-])c1cnn(Cc2ccc(Br)s2)c1 ZINC000036777965 361857264 /nfs/dbraw/zinc/85/72/64/361857264.db2.gz CTSUZJBZXHJQOQ-UHFFFAOYSA-N -1 0 287.138 2.454 40 0 CEABRM C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C1 ZINC000169619722 297224984 /nfs/dbraw/zinc/22/49/84/297224984.db2.gz KLGMBMDYWUJPHD-HUXGKSLCSA-N -1 0 277.364 2.014 40 0 CEABRM O=C([O-])c1cnc2cc(OC(F)(F)F)ccc2c1O ZINC000041702240 362048024 /nfs/dbraw/zinc/04/80/24/362048024.db2.gz WSRHNQMYSSCBOT-UHFFFAOYSA-N -1 0 273.166 2.125 40 0 CEABRM O=C([O-])c1cc(/C=N/c2nccs2)c2c(c1)COCO2 ZINC000000123435 343349922 /nfs/dbraw/zinc/34/99/22/343349922.db2.gz QWMZGTPFXHYXTP-PJQLUOCWSA-N -1 0 290.300 2.458 40 0 CEABRM CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])CC2 ZINC000101787785 344249480 /nfs/dbraw/zinc/24/94/80/344249480.db2.gz FBRWVUWBHWKVEH-OPRDCNLKSA-N -1 0 255.314 2.249 40 0 CEABRM CCN(CC)c1nn(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000256049195 344647330 /nfs/dbraw/zinc/64/73/30/344647330.db2.gz YUCLJQFPVNUOMJ-UHFFFAOYSA-N -1 0 274.324 2.120 40 0 CEABRM O=c1cc(-c2cccs2)[n-]n1C[C@H]1CCCO1 ZINC000409441484 344889671 /nfs/dbraw/zinc/88/96/71/344889671.db2.gz YLSDZHILMMSEMJ-SECBINFHSA-N -1 0 250.323 2.496 40 0 CEABRM COc1cccc(-c2noc(C)c2C(=O)[O-])c1OC ZINC000070426656 363080707 /nfs/dbraw/zinc/08/07/07/363080707.db2.gz BKYOPKZUSSRIIH-UHFFFAOYSA-N -1 0 263.249 2.365 40 0 CEABRM O=C([O-])c1cc(CCc2cc(O)ccc2O)ccc1O ZINC000001634585 361213815 /nfs/dbraw/zinc/21/38/15/361213815.db2.gz LFWUGCULXWIAOP-UHFFFAOYSA-N -1 0 274.272 2.287 40 0 CEABRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC000001666058 361215269 /nfs/dbraw/zinc/21/52/69/361215269.db2.gz MZIUQITWJIWELD-UHFFFAOYSA-N -1 0 281.337 2.131 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCC(C)C)cc1 ZINC000001727001 361219489 /nfs/dbraw/zinc/21/94/89/361219489.db2.gz ZIBUVBUKSWSCHD-UHFFFAOYSA-N -1 0 284.381 2.029 40 0 CEABRM COc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000001727789 361219798 /nfs/dbraw/zinc/21/97/98/361219798.db2.gz IUMADYNXQMWFHH-UHFFFAOYSA-N -1 0 251.282 2.135 40 0 CEABRM CC(C)CCC[C@H](C)CCc1c([O-])[nH]c(=O)[nH]c1=O ZINC000001714834 361220001 /nfs/dbraw/zinc/22/00/01/361220001.db2.gz LTNFEXOLEMCQMK-JTQLQIEISA-N -1 0 268.357 2.211 40 0 CEABRM CC(C)(C)OC(=O)N=C(N)Cc1ccc(C(=O)[O-])cc1 ZINC000002599213 361242099 /nfs/dbraw/zinc/24/20/99/361242099.db2.gz DFTMLCCWJDCAEK-UHFFFAOYSA-N -1 0 278.308 2.429 40 0 CEABRM C[C@H](C[C@H](C)C(=O)[O-])C(=O)OCc1ccccc1 ZINC000003159849 361265984 /nfs/dbraw/zinc/26/59/84/361265984.db2.gz RVQLEDIWHBNDNG-WDEREUQCSA-N -1 0 250.294 2.477 40 0 CEABRM COCc1cc(C)nc2sc3c([n-]c(C)nc3=O)c21 ZINC000003157512 361266060 /nfs/dbraw/zinc/26/60/60/361266060.db2.gz AWFBTHFQUWEODL-UHFFFAOYSA-N -1 0 275.333 2.296 40 0 CEABRM COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000011891127 361367483 /nfs/dbraw/zinc/36/74/83/361367483.db2.gz MKRMKVKLBRLHBQ-AWEZNQCLSA-N -1 0 299.326 2.121 40 0 CEABRM O=C([O-])C1(NC(=O)c2cccc(F)c2)CCCCC1 ZINC000012357036 361378475 /nfs/dbraw/zinc/37/84/75/361378475.db2.gz KABLJMPPQSZGPB-UHFFFAOYSA-N -1 0 265.284 2.343 40 0 CEABRM CC[C@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034435 361417192 /nfs/dbraw/zinc/41/71/92/361417192.db2.gz QWDFUOIGFVDJRF-QMMMGPOBSA-N -1 0 285.727 2.332 40 0 CEABRM O=C([O-])C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 ZINC000019369842 361529683 /nfs/dbraw/zinc/52/96/83/361529683.db2.gz RWCFKJVKXQQMBX-CYBMUJFWSA-N -1 0 289.331 2.451 40 0 CEABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccco2)cc1O ZINC000019473538 361537444 /nfs/dbraw/zinc/53/74/44/361537444.db2.gz AESPYMXOWMGGIW-GQCTYLIASA-N -1 0 273.244 2.335 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C2(CCCC2)C1 ZINC000238187532 370773313 /nfs/dbraw/zinc/77/33/13/370773313.db2.gz PXOWZNKGPINTIR-SNVBAGLBSA-N -1 0 269.341 2.498 40 0 CEABRM O=C([O-])COc1ccc2occ(C(=O)C3CC3)c2c1 ZINC000095094128 364339399 /nfs/dbraw/zinc/33/93/99/364339399.db2.gz GFUYCAXIYZLLKQ-UHFFFAOYSA-N -1 0 260.245 2.489 40 0 CEABRM Cc1ccc(-c2nnc(SCC(=O)[O-])n2C)c(C)c1 ZINC000116937227 365082369 /nfs/dbraw/zinc/08/23/69/365082369.db2.gz XHPUKUHSMJKSNN-UHFFFAOYSA-N -1 0 277.349 2.276 40 0 CEABRM COc1ccc(C)cc1C[C@H](OC(C)C)C(=O)[O-] ZINC000225119273 189743934 /nfs/dbraw/zinc/74/39/34/189743934.db2.gz UBWKKFLQJVNSPX-ZDUSSCGKSA-N -1 0 252.310 2.424 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000003155549 304155735 /nfs/dbraw/zinc/15/57/35/304155735.db2.gz FANNLHCEDDRGKZ-GAQJKIJGSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])CC[C@@H]1NC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000218712571 370212258 /nfs/dbraw/zinc/21/22/58/370212258.db2.gz OPXBUZIVGKUURP-ZDUSSCGKSA-N -1 0 298.298 2.129 40 0 CEABRM Cc1cccc2c3c(n(CC(=O)[O-])c21)CCN(C)C3 ZINC000218715567 370212338 /nfs/dbraw/zinc/21/23/38/370212338.db2.gz ZTGGFRHMXQQSJF-UHFFFAOYSA-N -1 0 258.321 2.022 40 0 CEABRM Cc1c(NC(=S)NC2CC2)cccc1C(=O)[O-] ZINC000216927322 370191900 /nfs/dbraw/zinc/19/19/00/370191900.db2.gz QSXDUJGTQHXAMT-UHFFFAOYSA-N -1 0 250.323 2.142 40 0 CEABRM Cc1c(C(=O)[O-])ccc(=O)n1CCc1ccccc1 ZINC000218272363 370207198 /nfs/dbraw/zinc/20/71/98/370207198.db2.gz XTABHSSSWUKZOC-UHFFFAOYSA-N -1 0 257.289 2.098 40 0 CEABRM O=C([O-])[C@@H]1[C@@H](OCc2ccccc2)C(=O)N1c1ccccc1 ZINC000218311733 370208771 /nfs/dbraw/zinc/20/87/71/370208771.db2.gz OZUIZLPNXVKGMZ-LSDHHAIUSA-N -1 0 297.310 2.072 40 0 CEABRM O=C([O-])CSCc1nnc(C2CCCCC2)o1 ZINC000223766484 370270298 /nfs/dbraw/zinc/27/02/98/370270298.db2.gz GVRXGYMVTJYNRE-UHFFFAOYSA-N -1 0 256.327 2.435 40 0 CEABRM Cc1nc([C@H]2COCCN2Cc2cccs2)cc(=O)[nH]1 ZINC000257211497 371610251 /nfs/dbraw/zinc/61/02/51/371610251.db2.gz BZBIUDDIEAFGLE-CYBMUJFWSA-N -1 0 291.376 2.126 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(OC2(C(=O)[O-])CCC2)CC1 ZINC000409419165 375521789 /nfs/dbraw/zinc/52/17/89/375521789.db2.gz ZYOGHNOKEZMGDE-UHFFFAOYSA-N -1 0 299.367 2.410 40 0 CEABRM CC(C)(C)OC(=O)NC1(c2cccc(C(=O)[O-])c2)COC1 ZINC000258329821 190038601 /nfs/dbraw/zinc/03/86/01/190038601.db2.gz BOIUGDSYEUIKDK-UHFFFAOYSA-N -1 0 293.319 2.135 40 0 CEABRM C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000225713789 296309260 /nfs/dbraw/zinc/30/92/60/296309260.db2.gz GIGGCSDKOROSIM-RGDJUOJXSA-N -1 0 277.364 2.300 40 0 CEABRM O=C([O-])c1cc2c(cc1O)-c1ccccc1[S@]2=O ZINC000255190356 304228674 /nfs/dbraw/zinc/22/86/74/304228674.db2.gz WSSYSLHLQPIZEV-SFHVURJKSA-N -1 0 260.270 2.238 40 0 CEABRM O=C([O-])c1cc2c(ncnc2N2CCCCC2)s1 ZINC000217691761 304228738 /nfs/dbraw/zinc/22/87/38/304228738.db2.gz ORZQTFLFVFPFJR-UHFFFAOYSA-N -1 0 263.322 2.380 40 0 CEABRM O=C([O-])c1ccccc1C(=O)O[C@H]1CC[C@H]2CC[C@@H]1O2 ZINC000045027866 304267481 /nfs/dbraw/zinc/26/74/81/304267481.db2.gz AZHIWJNGSUNNIO-ICCXJUOJSA-N -1 0 276.288 2.252 40 0 CEABRM CC(C)CN1C(=O)CCc2cc(OCC(=O)[O-])ccc21 ZINC000218785417 394457034 /nfs/dbraw/zinc/45/70/34/394457034.db2.gz UFYMACKAGFRSGD-UHFFFAOYSA-N -1 0 277.320 2.085 40 0 CEABRM CC(=C1c2ccccc2-c2n[nH]c(C)c21)S(=O)(=O)[O-] ZINC000018176568 394467607 /nfs/dbraw/zinc/46/76/07/394467607.db2.gz HDHHMFRPGJMFHJ-WQLSENKSSA-N -1 0 276.317 2.366 40 0 CEABRM O=C([O-])CNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000062714344 394570090 /nfs/dbraw/zinc/57/00/90/394570090.db2.gz HYBOCLLMMZLYBJ-RVDMUPIBSA-N -1 0 281.311 2.428 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nocc1C(=O)[O-] ZINC000072207747 394590855 /nfs/dbraw/zinc/59/08/55/394590855.db2.gz NLOCDNOSIUPPJQ-SECBINFHSA-N -1 0 282.296 2.445 40 0 CEABRM CC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)[O-] ZINC000096296848 394678723 /nfs/dbraw/zinc/67/87/23/394678723.db2.gz ZAXRPHZZGBFPCV-SSDOTTSWSA-N -1 0 292.266 2.376 40 0 biogenic,in-vitro CEABRM CCCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccco1 ZINC000096515666 394694195 /nfs/dbraw/zinc/69/41/95/394694195.db2.gz RMABJNHWPGZROQ-GXFFZTMASA-N -1 0 265.309 2.444 40 0 CEABRM O=C([O-])c1ccn(-c2cc(C(F)(F)F)nc(C3CC3)n2)n1 ZINC000096517413 394694916 /nfs/dbraw/zinc/69/49/16/394694916.db2.gz UTWLFLAFFUHCTC-UHFFFAOYSA-N -1 0 298.224 2.257 40 0 CEABRM CCC(=C([O-])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096518098 394695101 /nfs/dbraw/zinc/69/51/01/394695101.db2.gz GUIJEUWLVLTLML-GFCCVEGCSA-N -1 0 270.350 2.091 40 0 CEABRM CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)[O-] ZINC000067665044 285925498 /nfs/dbraw/zinc/92/54/98/285925498.db2.gz SSKKXRIKYHEFTJ-AAEUAGOBSA-N -1 0 285.384 2.341 40 0 in-vitro CEABRM O=S(=O)([O-])[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001681763 169740618 /nfs/dbraw/zinc/74/06/18/169740618.db2.gz ZUZCEPDMQCVPET-ZIAGYGMSSA-N -1 0 278.329 2.349 40 0 in-vitro CEABRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000004884262 170036604 /nfs/dbraw/zinc/03/66/04/170036604.db2.gz ONKIMACNKREVSS-UHFFFAOYSA-N -1 0 266.322 2.401 40 0 CEABRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000005152249 170070835 /nfs/dbraw/zinc/07/08/35/170070835.db2.gz ZZFSMKDTXGVPON-SNVBAGLBSA-N -1 0 268.700 2.421 40 0 CEABRM C[C@H](N(N=O)c1cccc(Cl)c1)S(=O)(=O)[O-] ZINC000006494156 170206756 /nfs/dbraw/zinc/20/67/56/170206756.db2.gz UPDKWVOAMRCZFD-ZCFIWIBFSA-N -1 0 264.690 2.062 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000006700255 170229177 /nfs/dbraw/zinc/22/91/77/170229177.db2.gz GWKRNAXRMRFYKC-KXNHARMFSA-N -1 0 295.722 2.157 40 0 CEABRM O=C([O-])[C@@H]1[C@H](C(=O)NCCc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000006731078 170235616 /nfs/dbraw/zinc/23/56/16/170235616.db2.gz BGECMOWJZQPCEC-BARDWOONSA-N -1 0 287.359 2.092 40 0 CEABRM O=C([O-])CCSc1nc2c(ccc3nsnc32)[nH]1 ZINC000008553440 170339927 /nfs/dbraw/zinc/33/99/27/170339927.db2.gz WNUWSQNUXVLJLA-UHFFFAOYSA-N -1 0 280.334 2.134 40 0 CEABRM Cc1cccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)[O-])c1 ZINC000008700626 170346906 /nfs/dbraw/zinc/34/69/06/170346906.db2.gz PLGCEOXNWANLCH-VXGBXAGGSA-N -1 0 295.335 2.006 40 0 CEABRM O=Cc1cccn1-c1ccc(SCC(=O)[O-])cc1 ZINC000008701964 170347023 /nfs/dbraw/zinc/34/70/23/170347023.db2.gz JLPPRHUQMIEVOX-UHFFFAOYSA-N -1 0 261.302 2.467 40 0 CEABRM O=C([O-])c1cnn(Cc2ccccc2Br)c1 ZINC000011920451 170459149 /nfs/dbraw/zinc/45/91/49/170459149.db2.gz UBYOBUDHEJLSTQ-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM O=C([O-])c1c[nH]c(=S)n(-c2cccc(Cl)c2)c1=O ZINC000020156281 171038673 /nfs/dbraw/zinc/03/86/73/171038673.db2.gz DNJJETAVSRILFW-UHFFFAOYSA-N -1 0 282.708 2.247 40 0 CEABRM Cc1cc(C)cc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)c1 ZINC000020156331 171039567 /nfs/dbraw/zinc/03/95/67/171039567.db2.gz CRCUNMFYTTYPLW-UHFFFAOYSA-N -1 0 290.344 2.139 40 0 CEABRM COc1cc(C(=O)[O-])cc(OC)c1OCc1cccnc1 ZINC000020285029 171133480 /nfs/dbraw/zinc/13/34/80/171133480.db2.gz UCLJTJSJNRWXKE-UHFFFAOYSA-N -1 0 289.287 2.376 40 0 CEABRM O=C([O-])c1ccccc1-c1nc(-c2cccnc2)no1 ZINC000020593767 171263247 /nfs/dbraw/zinc/26/32/47/171263247.db2.gz UCGWDMRNODGGJL-UHFFFAOYSA-N -1 0 267.244 2.497 40 0 CEABRM Cc1cc(-c2nc(N)sc2CC(=O)[O-])ccc1F ZINC000032114338 171707780 /nfs/dbraw/zinc/70/77/80/171707780.db2.gz VOIKVEXNFLRBJR-UHFFFAOYSA-N -1 0 266.297 2.467 40 0 CEABRM C[C@H](NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-] ZINC000033440106 171799125 /nfs/dbraw/zinc/79/91/25/171799125.db2.gz LIRJVJAVROQKIR-USKTWTLRSA-N -1 0 269.300 2.442 40 0 CEABRM CCOC(=O)CSCc1ccccc1C(=O)[O-] ZINC000035219978 172060988 /nfs/dbraw/zinc/06/09/88/172060988.db2.gz BJRRNHBLLMUITA-UHFFFAOYSA-N -1 0 254.307 2.181 40 0 CEABRM CN(CCCn1cc(C(=O)[O-])ccc1=O)c1ccccc1 ZINC000043672094 175087336 /nfs/dbraw/zinc/08/73/36/175087336.db2.gz PVLLOBWDOFICLD-UHFFFAOYSA-N -1 0 286.331 2.073 40 0 CEABRM CC(=O)Nc1c(C(=O)[O-])[nH]c2cccc(Cl)c21 ZINC000006856997 278184144 /nfs/dbraw/zinc/18/41/44/278184144.db2.gz BEBRMJQPSBWSFK-UHFFFAOYSA-N -1 0 252.657 2.478 40 0 CEABRM CC(C)Oc1cccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c1 ZINC000085394617 279730374 /nfs/dbraw/zinc/73/03/74/279730374.db2.gz CROGODDINCRNBN-AAEUAGOBSA-N -1 0 264.277 2.163 40 0 CEABRM C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000005529522 300479437 /nfs/dbraw/zinc/47/94/37/300479437.db2.gz OENIZBQWTODIDU-RVMXOQNASA-N -1 0 265.353 2.158 40 0 CEABRM Cc1ccc(-n2nc(Br)c(C(=O)[O-])n2)cc1 ZINC000089263358 301478129 /nfs/dbraw/zinc/47/81/29/301478129.db2.gz BHAONGUVSKFEEH-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM Cc1ccccc1NC(=O)c1snc2c1[n-]cnc2=O ZINC000013564114 302106293 /nfs/dbraw/zinc/10/62/93/302106293.db2.gz OHKDTXAASLDLPT-UHFFFAOYSA-N -1 0 286.316 2.353 40 0 CEABRM Cc1nc2ccccc2c(=O)n1Nc1ccc(C(=O)[O-])cc1 ZINC000001618131 302665159 /nfs/dbraw/zinc/66/51/59/302665159.db2.gz HFQRTKIEGCNSTC-UHFFFAOYSA-N -1 0 295.298 2.278 40 0 CEABRM O=C([O-])/C=C/NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000222697195 534479870 /nfs/dbraw/zinc/47/98/70/534479870.db2.gz QGKCECQWQCXKAQ-SNAWJCMRSA-N -1 0 274.198 2.425 40 0 CEABRM CC(C)n1c2ccccc2n2c(SCC(=O)[O-])nnc21 ZINC000033373729 361778475 /nfs/dbraw/zinc/77/84/75/361778475.db2.gz OSCHRWMRUMBEPV-UHFFFAOYSA-N -1 0 290.348 2.442 40 0 CEABRM Cc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000033439486 361779030 /nfs/dbraw/zinc/77/90/30/361779030.db2.gz CBCRHRPELNHQIK-MYSGNRETSA-N -1 0 261.321 2.234 40 0 CEABRM COc1ccc(-c2nsc(C(=O)[O-])c2N)cc1 ZINC000039387171 361989606 /nfs/dbraw/zinc/98/96/06/361989606.db2.gz DXNXUMUVMABPNS-UHFFFAOYSA-N -1 0 250.279 2.099 40 0 CEABRM CCc1ccc(C(=O)[O-])cc1C#Cc1cnc2ccnn2c1 ZINC000207941885 539310245 /nfs/dbraw/zinc/31/02/45/539310245.db2.gz RPTLNQGKEBHGPL-UHFFFAOYSA-N -1 0 291.310 2.390 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(C(=O)[O-])n[nH]1 ZINC000096516150 344240303 /nfs/dbraw/zinc/24/03/03/344240303.db2.gz MICLLKYJPNEEIK-JTQLQIEISA-N -1 0 281.312 2.180 40 0 CEABRM COc1cccc(-c2ncc(C(=O)[O-])c(N3CCCC3)n2)c1 ZINC000049469039 362365756 /nfs/dbraw/zinc/36/57/56/362365756.db2.gz RDKGGNUECQRBHD-UHFFFAOYSA-N -1 0 299.330 2.451 40 0 CEABRM CCCCOC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000052076798 362463592 /nfs/dbraw/zinc/46/35/92/362463592.db2.gz JUQHFGOGWCXFOE-UHFFFAOYSA-N -1 0 252.266 2.107 40 0 CEABRM CCN(CC)c1nn(-c2cc(C)ccc2C)nc1C(=O)[O-] ZINC000256047669 344646902 /nfs/dbraw/zinc/64/69/02/344646902.db2.gz NXHBOOITJXXUNQ-UHFFFAOYSA-N -1 0 288.351 2.429 40 0 CEABRM CCN(c1ccc(C(=O)[O-])cn1)[C@@H]1CCSC1 ZINC000409435408 344889153 /nfs/dbraw/zinc/88/91/53/344889153.db2.gz ULMIXITUWLXYEV-SNVBAGLBSA-N -1 0 252.339 2.112 40 0 CEABRM O=c1cc(-c2ccsc2)[n-]n1C[C@H]1CCCO1 ZINC000409440927 344889845 /nfs/dbraw/zinc/88/98/45/344889845.db2.gz VWGDVNMDFDNFCY-SNVBAGLBSA-N -1 0 250.323 2.496 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@H](O)CC(=O)[O-] ZINC000059723570 362651240 /nfs/dbraw/zinc/65/12/40/362651240.db2.gz GDZQCMQJVJLGRE-YPMHNXCESA-N -1 0 295.335 2.088 40 0 CEABRM CCCOc1cccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c1 ZINC000085394595 179049151 /nfs/dbraw/zinc/04/91/51/179049151.db2.gz KZEHKEFRHLVQHV-YPMHNXCESA-N -1 0 264.277 2.164 40 0 CEABRM Cc1nn(-c2ccc3c(c2)OCO3)c(C)c1CCC(=O)[O-] ZINC000085398106 179050292 /nfs/dbraw/zinc/05/02/92/179050292.db2.gz VYPQGISAKIUZKY-UHFFFAOYSA-N -1 0 288.303 2.235 40 0 CEABRM CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCC(=O)[O-] ZINC000064857791 362796509 /nfs/dbraw/zinc/79/65/09/362796509.db2.gz FGACPXKRXBKDQL-MGPQQGTHSA-N -1 0 298.379 2.347 40 0 in-vitro CEABRM CC(C)CC1(CC(C)C)CC(=O)N(CCC(=O)[O-])C1=O ZINC000064876050 362798848 /nfs/dbraw/zinc/79/88/48/362798848.db2.gz SABXNNZIDILRAR-UHFFFAOYSA-N -1 0 283.368 2.299 40 0 CEABRM CN(C)c1nc(C(F)(F)F)c(/C=C/C(=O)[O-])s1 ZINC000218731571 540169074 /nfs/dbraw/zinc/16/90/74/540169074.db2.gz KVKBRBMFKQDGLR-ONEGZZNKSA-N -1 0 266.244 2.326 40 0 CEABRM O=C1OCC([O-])=C1c1cccc(Br)c1 ZINC000256053358 538876640 /nfs/dbraw/zinc/87/66/40/538876640.db2.gz RCUATYVSYVWQMO-UHFFFAOYSA-N -1 0 255.067 2.275 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](CSCC(=O)[O-])C1 ZINC000079392098 363593967 /nfs/dbraw/zinc/59/39/67/363593967.db2.gz KOIJLNWIDXICCN-JTQLQIEISA-N -1 0 289.397 2.451 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1C[C@H]1C(=O)[O-] ZINC000242543284 540423734 /nfs/dbraw/zinc/42/37/34/540423734.db2.gz JVGKKFAANDQUHO-OPRDCNLKSA-N -1 0 255.314 2.107 40 0 CEABRM O=C([O-])C[C@@]12C[C@H]3C[C@@H](C1)C[C@](O[N+](=O)[O-])(C3)C2 ZINC000217352275 304081166 /nfs/dbraw/zinc/08/11/66/304081166.db2.gz ZUNCLGOEVTUKCH-VSKBNFNDSA-N -1 0 255.270 2.008 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1cccc(Br)c1 ZINC000085393314 304098323 /nfs/dbraw/zinc/09/83/23/304098323.db2.gz FSZXXWCBODRVKI-PSASIEDQSA-N -1 0 285.093 2.138 40 0 CEABRM O=C([O-])[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001649311 361213719 /nfs/dbraw/zinc/21/37/19/361213719.db2.gz XZCYDMWCEOPIRU-GJZGRUSLSA-N -1 0 286.283 2.317 40 0 CEABRM O=C([O-])c1ccccc1C(=O)c1cc(O)ccc1O ZINC000001670022 361214773 /nfs/dbraw/zinc/21/47/73/361214773.db2.gz VLXYMWIODHEZLX-UHFFFAOYSA-N -1 0 258.229 2.027 40 0 CEABRM CC(C)(C)OC(=O)N=C(N)c1cccc(CC(=O)[O-])c1 ZINC000002599208 361242507 /nfs/dbraw/zinc/24/25/07/361242507.db2.gz LCZPCTPSKWLVSN-UHFFFAOYSA-N -1 0 278.308 2.164 40 0 CEABRM C[C@H](C[C@@H](C)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000003159850 361265666 /nfs/dbraw/zinc/26/56/66/361265666.db2.gz RVQLEDIWHBNDNG-GHMZBOCLSA-N -1 0 250.294 2.477 40 0 CEABRM CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)[O-] ZINC000004294405 361310231 /nfs/dbraw/zinc/31/02/31/361310231.db2.gz YLDAYRFSLOUFDC-UHFFFAOYSA-N -1 0 298.751 2.247 40 0 CEABRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000015441484 361474139 /nfs/dbraw/zinc/47/41/39/361474139.db2.gz PAWPONWZBXPIAL-WDEREUQCSA-N -1 0 276.288 2.489 40 0 CEABRM O=C([O-])[C@@H]1CCCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000096516946 364426001 /nfs/dbraw/zinc/42/60/01/364426001.db2.gz DHSRZPBGJNQYDB-LLVKDONJSA-N -1 0 287.363 2.144 40 0 CEABRM O=C([O-])C1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000096516931 364426034 /nfs/dbraw/zinc/42/60/34/364426034.db2.gz LFCNCSDBCPVQCO-UHFFFAOYSA-N -1 0 287.363 2.144 40 0 CEABRM O=C([O-])c1nccn1Cc1ccccc1Br ZINC000098213984 364538091 /nfs/dbraw/zinc/53/80/91/364538091.db2.gz FECFJANFADDAOI-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM COc1ccc(C(=O)C=C([O-])c2ccco2)c(O)c1 ZINC000100404708 364545831 /nfs/dbraw/zinc/54/58/31/364545831.db2.gz WFGCQSISQODKGO-UHFFFAOYSA-N -1 0 260.245 2.450 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])C2 ZINC000101328874 364556416 /nfs/dbraw/zinc/55/64/16/364556416.db2.gz BICQNBQLGTZYCQ-UTLUCORTSA-N -1 0 255.314 2.107 40 0 CEABRM COc1cc(CC(=S)C(=O)[O-])cc(OC)c1OC ZINC000104085052 364676152 /nfs/dbraw/zinc/67/61/52/364676152.db2.gz XXDLJJIHRZCXLC-UXBLZVDNSA-N -1 0 270.306 2.068 40 0 CEABRM CSc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000116937223 365082255 /nfs/dbraw/zinc/08/22/55/365082255.db2.gz RMHYXVSZNHCTDA-UHFFFAOYSA-N -1 0 295.389 2.381 40 0 CEABRM CSc1nc(CC(=O)[O-])cc(NCCC(C)C)n1 ZINC000225010565 370284077 /nfs/dbraw/zinc/28/40/77/370284077.db2.gz RMQNBLXYXRHGIN-UHFFFAOYSA-N -1 0 269.370 2.284 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000408585096 375512724 /nfs/dbraw/zinc/51/27/24/375512724.db2.gz CMRSCFOOSDIPHO-UHFFFAOYSA-N -1 0 268.338 2.175 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000408587970 375512912 /nfs/dbraw/zinc/51/29/12/375512912.db2.gz VIGMKIHTTOXZSI-UHFFFAOYSA-N -1 0 268.338 2.175 40 0 CEABRM COCC(=O)NCc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257339680 190037294 /nfs/dbraw/zinc/03/72/94/190037294.db2.gz ZCTMKNGUIZIQNV-UHFFFAOYSA-N -1 0 299.326 2.314 40 0 CEABRM CC(C)(C)OC(=O)NC1(c2ccc(C(=O)[O-])cc2)COC1 ZINC000258830281 190038067 /nfs/dbraw/zinc/03/80/67/190038067.db2.gz FNYIUOTXZQZRIX-UHFFFAOYSA-N -1 0 293.319 2.135 40 0 CEABRM CC[C@@H](Oc1cc(N)c2nc(C)ccc2c1)C(=O)[O-] ZINC000299803612 379144502 /nfs/dbraw/zinc/14/45/02/379144502.db2.gz GWOVPPSOTZVWNW-GFCCVEGCSA-N -1 0 260.293 2.367 40 0 CEABRM O=C([O-])C1=NN(c2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000076413339 304226408 /nfs/dbraw/zinc/22/64/08/304226408.db2.gz VRKPVGAKNYSRJD-UHFFFAOYSA-N -1 0 272.182 2.295 40 0 CEABRM CC(C)c1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000057960166 256724473 /nfs/dbraw/zinc/72/44/73/256724473.db2.gz PSNAUQYNNQBEOI-GXTWGEPZSA-N -1 0 261.321 2.414 40 0 CEABRM CC(C)(C)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000240720925 394495333 /nfs/dbraw/zinc/49/53/33/394495333.db2.gz AOXITESRCDTREB-UHFFFAOYSA-N -1 0 252.339 2.470 40 0 CEABRM CCOC(=O)c1n[n-]c(OC(C)C)c1Br ZINC000096509307 394693484 /nfs/dbraw/zinc/69/34/84/394693484.db2.gz BNFXNQJAJPCQLV-UHFFFAOYSA-N -1 0 277.118 2.136 40 0 CEABRM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccco1 ZINC000096515663 394693936 /nfs/dbraw/zinc/69/39/36/394693936.db2.gz RMABJNHWPGZROQ-MFKMUULPSA-N -1 0 265.309 2.444 40 0 CEABRM Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000647738995 395751270 /nfs/dbraw/zinc/75/12/70/395751270.db2.gz VSOREWZWBGBDHB-GHMZBOCLSA-N -1 0 285.303 2.044 40 0 CEABRM CN(CC(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005525244 170108060 /nfs/dbraw/zinc/10/80/60/170108060.db2.gz FPKDTXRHTJPZMS-UHFFFAOYSA-N -1 0 276.214 2.254 40 0 CEABRM CCOC(=O)[C@@](OCc1ccccc1)(C(=O)[O-])C(C)C ZINC000005834432 170145369 /nfs/dbraw/zinc/14/53/69/170145369.db2.gz IVIUCVPWPODFER-HNNXBMFYSA-N -1 0 280.320 2.246 40 0 CEABRM O=C([O-])C1(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000006659130 170223187 /nfs/dbraw/zinc/22/31/87/170223187.db2.gz FPUXOGLUHDKKFP-UHFFFAOYSA-N -1 0 295.143 2.384 40 0 CEABRM CCCCC(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000020151296 171037764 /nfs/dbraw/zinc/03/77/64/171037764.db2.gz JIUSXLHOWZETID-UHFFFAOYSA-N -1 0 294.376 2.066 40 0 CEABRM CC(C)C[C@@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O ZINC000035280324 172098970 /nfs/dbraw/zinc/09/89/70/172098970.db2.gz PRQPWWKZDSNMEE-NSHDSACASA-N -1 0 281.352 2.195 40 0 CEABRM Cc1ccc(I)c(C(=O)[O-])c1F ZINC000035323418 172126254 /nfs/dbraw/zinc/12/62/54/172126254.db2.gz XYRLGIOIAJNDJX-UHFFFAOYSA-N -1 0 280.036 2.437 40 0 CEABRM C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1SC(=O)[N-]C1=O ZINC000039793461 174173758 /nfs/dbraw/zinc/17/37/58/174173758.db2.gz WJSZNDIVRAWIAN-IMTBSYHQSA-N -1 0 298.751 2.266 40 0 CEABRM Cc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 ZINC000045956475 175389183 /nfs/dbraw/zinc/38/91/83/175389183.db2.gz HNMLATNSMZBNGV-UHFFFAOYSA-N -1 0 261.306 2.024 40 0 CEABRM COc1ccc(Cl)c2sc(N3CC(C(=O)[O-])C3)nc21 ZINC000061957934 175659273 /nfs/dbraw/zinc/65/92/73/175659273.db2.gz DVXMEIXIYRJPGB-UHFFFAOYSA-N -1 0 298.751 2.479 40 0 CEABRM CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2C(=O)[O-])CC1 ZINC000258666556 278384425 /nfs/dbraw/zinc/38/44/25/278384425.db2.gz VGOWNBSVXXGVHA-SNVBAGLBSA-N -1 0 269.341 2.498 40 0 CEABRM COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-] ZINC000004006573 295374802 /nfs/dbraw/zinc/37/48/02/295374802.db2.gz ZOXKNVCXIKCYPF-PJQZNRQZSA-N -1 0 287.315 2.157 40 0 CEABRM Cc1c(C(=O)[O-])cnc2c(C(N)=O)c(-c3ccccc3)cn21 ZINC000001616166 300949283 /nfs/dbraw/zinc/94/92/83/300949283.db2.gz LCASSJDDVULEPQ-UHFFFAOYSA-N -1 0 295.298 2.107 40 0 CEABRM Cc1cc(C)c(NC(=O)CSCC(=O)[O-])c(C)c1 ZINC000005018133 301186113 /nfs/dbraw/zinc/18/61/13/301186113.db2.gz HXNSMQONWDAHQY-UHFFFAOYSA-N -1 0 267.350 2.368 40 0 CEABRM Cc1ccc2sc(N3CC(C(=O)[O-])C3)nc2c1C ZINC000061957926 301935029 /nfs/dbraw/zinc/93/50/29/301935029.db2.gz YUGOOPMECUVLRF-UHFFFAOYSA-N -1 0 262.334 2.434 40 0 CEABRM CC(C)C(=O)NC(=S)Nc1ccccc1[S-] ZINC000021596329 327923050 /nfs/dbraw/zinc/92/30/50/327923050.db2.gz FZFNVSAKFONNCP-UHFFFAOYSA-N -1 0 254.380 2.444 40 0 CEABRM CC(C)(C(=O)[O-])n1cc(Br)c(C(F)F)n1 ZINC000408715892 527541244 /nfs/dbraw/zinc/54/12/44/527541244.db2.gz GKCJFLPSPQHDGR-UHFFFAOYSA-N -1 0 283.072 2.403 40 0 CEABRM Cc1nnc(SC(=Cc2ccc(O)cc2)C(=O)[O-])[nH]1 ZINC000006588253 343356283 /nfs/dbraw/zinc/35/62/83/343356283.db2.gz OTRZBUBIEJKRMJ-POHAHGRESA-N -1 0 277.305 2.037 40 0 CEABRM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CC(C)C)cc1 ZINC000049466631 362363804 /nfs/dbraw/zinc/36/38/04/362363804.db2.gz VAXGCCZSNJHNGA-DZGCQCFKSA-N -1 0 291.347 2.325 40 0 CEABRM COCCc1ncc(C(=O)[O-])c(Nc2ccccc2)n1 ZINC000049469620 362365574 /nfs/dbraw/zinc/36/55/74/362365574.db2.gz TZPMBWLJVCNQJP-UHFFFAOYSA-N -1 0 273.292 2.107 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](CC(=O)[O-])CO2)C1 ZINC000110915033 344270400 /nfs/dbraw/zinc/27/04/00/344270400.db2.gz UPSVEAPCGVVPTN-NHYWBVRUSA-N -1 0 299.367 2.267 40 0 CEABRM O=C([O-])c1nn(-c2ccccc2Cl)nc1N1CCCC1 ZINC000256048085 344646906 /nfs/dbraw/zinc/64/69/06/344646906.db2.gz QRHZNDTZTYMTAK-UHFFFAOYSA-N -1 0 292.726 2.219 40 0 CEABRM CCCNc1nn(-c2ccccc2C)nc1C(=O)[O-] ZINC000256047381 344646936 /nfs/dbraw/zinc/64/69/36/344646936.db2.gz MGOKKCTYYFLQEJ-UHFFFAOYSA-N -1 0 260.297 2.096 40 0 CEABRM CCN(CC)c1nn(-c2cc(C)cc(C)c2)nc1C(=O)[O-] ZINC000256046528 344646993 /nfs/dbraw/zinc/64/69/93/344646993.db2.gz GLAMWBSEFOITJW-UHFFFAOYSA-N -1 0 288.351 2.429 40 0 CEABRM Cc1ccc(C)c2sc(N3CC(C(=O)[O-])C3)nc21 ZINC000061957924 362700858 /nfs/dbraw/zinc/70/08/58/362700858.db2.gz OQCWMYQNYCWPBH-UHFFFAOYSA-N -1 0 262.334 2.434 40 0 CEABRM CN1C(=O)CCc2cc(SCCC(=O)[O-])ccc21 ZINC000218812754 136583183 /nfs/dbraw/zinc/58/31/83/136583183.db2.gz YVNOJUHIHHUGSC-UHFFFAOYSA-N -1 0 265.334 2.162 40 0 CEABRM CN(CC(=O)[O-])c1ncc2c(n1)-c1ccccc1SC2 ZINC000001651205 361213532 /nfs/dbraw/zinc/21/35/32/361213532.db2.gz JTKPQFIJOSZJCA-UHFFFAOYSA-N -1 0 287.344 2.270 40 0 CEABRM O=C([O-])c1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000001749780 361221130 /nfs/dbraw/zinc/22/11/30/361221130.db2.gz NPOYQNXOBNXZMP-UHFFFAOYSA-N -1 0 271.272 2.402 40 0 CEABRM C[C@H](C[C@H](C)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000003159852 361265636 /nfs/dbraw/zinc/26/56/36/361265636.db2.gz RVQLEDIWHBNDNG-MNOVXSKESA-N -1 0 250.294 2.477 40 0 CEABRM Cn1cc(C(=O)[O-])c(=O)c2ccc(C(F)(F)F)cc21 ZINC000005756585 361335448 /nfs/dbraw/zinc/33/54/48/361335448.db2.gz OMGFCIGRZNCCKB-UHFFFAOYSA-N -1 0 271.194 2.256 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1F)C(=O)[O-] ZINC000015442613 361473993 /nfs/dbraw/zinc/47/39/93/361473993.db2.gz WEICTNRFBRIIRB-LLVKDONJSA-N -1 0 299.298 2.052 40 0 CEABRM O=C([O-])c1ccccc1C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000031334684 361710397 /nfs/dbraw/zinc/71/03/97/361710397.db2.gz USJCJMADQDMCDE-UHFFFAOYSA-N -1 0 283.239 2.463 40 0 CEABRM Cc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(C(=O)[O-])=N2 ZINC000102278352 364589362 /nfs/dbraw/zinc/58/93/62/364589362.db2.gz WCHSPJMMKDIVDE-LLVKDONJSA-N -1 0 290.710 2.223 40 0 CEABRM CO[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000215957199 189698895 /nfs/dbraw/zinc/69/88/95/189698895.db2.gz IFDGWHIQLKFBNU-SECBINFHSA-N -1 0 259.099 2.091 40 0 CEABRM O=C([O-])CCCSc1n[nH]c(-c2cccs2)n1 ZINC000224977102 370283846 /nfs/dbraw/zinc/28/38/46/370283846.db2.gz CAHCLJLOVWIXME-UHFFFAOYSA-N -1 0 269.351 2.490 40 0 CEABRM O=C([O-])[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 ZINC000408637464 375515231 /nfs/dbraw/zinc/51/52/31/375515231.db2.gz KTXIMUDTFILLCW-JTQLQIEISA-N -1 0 288.328 2.248 40 0 CEABRM O=C([O-])c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000072398233 304219699 /nfs/dbraw/zinc/21/96/99/304219699.db2.gz LXLFNWJSFXSYLE-UHFFFAOYSA-N -1 0 290.344 2.345 40 0 CEABRM O=C([O-])CCc1nc2scc(-c3ccccc3)n2n1 ZINC000095095788 184942558 /nfs/dbraw/zinc/94/25/58/184942558.db2.gz FEGALSMQCKTCJZ-UHFFFAOYSA-N -1 0 273.317 2.475 40 0 CEABRM CCCCN1C(=O)CCc2cc(OCC(=O)[O-])ccc21 ZINC000218785498 394456738 /nfs/dbraw/zinc/45/67/38/394456738.db2.gz DXBKRASVWVTEHX-UHFFFAOYSA-N -1 0 277.320 2.229 40 0 CEABRM O=C([O-])c1cn(-c2cc(-c3ccc(F)cc3)ncn2)cn1 ZINC000096517355 394695011 /nfs/dbraw/zinc/69/50/11/394695011.db2.gz RAUATKVHFKPLRE-UHFFFAOYSA-N -1 0 284.250 2.167 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@@H](c1ccccc1)C2 ZINC000096530366 394698037 /nfs/dbraw/zinc/69/80/37/394698037.db2.gz WPOSZGONKQUEQN-LLVKDONJSA-N -1 0 257.293 2.311 40 0 CEABRM C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]21 ZINC000017730019 299699502 /nfs/dbraw/zinc/69/95/02/299699502.db2.gz OFARKPJWSCWOBZ-ZWKOPEQDSA-N -1 0 285.299 2.086 40 0 CEABRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000005152250 170070796 /nfs/dbraw/zinc/07/07/96/170070796.db2.gz ZZFSMKDTXGVPON-JTQLQIEISA-N -1 0 268.700 2.421 40 0 CEABRM Cc1cc(NC(=O)CCC(=O)[O-])c2ccccc2n1 ZINC000005336817 170087007 /nfs/dbraw/zinc/08/70/07/170087007.db2.gz JIJFAMOLDDRKKS-UHFFFAOYSA-N -1 0 258.277 2.347 40 0 CEABRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000013166504 170538056 /nfs/dbraw/zinc/53/80/56/170538056.db2.gz QWAPNHXKCYQLSH-UHFFFAOYSA-N -1 0 285.255 2.366 40 0 CEABRM Cc1cc(NC(=O)CC(C)C)cc(C(=O)[O-])c1O ZINC000020136826 171024547 /nfs/dbraw/zinc/02/45/47/171024547.db2.gz ZZMHAMYFEXGPIO-UHFFFAOYSA-N -1 0 251.282 2.383 40 0 CEABRM O=C([O-])c1cnn(C2CCCC2)c1Br ZINC000162125236 260965119 /nfs/dbraw/zinc/96/51/19/260965119.db2.gz RQNPAUGXPOHPEL-UHFFFAOYSA-N -1 0 259.103 2.459 40 0 CEABRM O=C(Nc1ccccc1F)c1nc2ccccc2c(=O)[n-]1 ZINC000028210274 262369838 /nfs/dbraw/zinc/36/98/38/262369838.db2.gz PLUDFUAUYCRZSO-UHFFFAOYSA-N -1 0 283.262 2.315 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2ccc(C)cc2)c1=O ZINC000016769455 277102806 /nfs/dbraw/zinc/10/28/06/277102806.db2.gz OKAAIJCOSAPCGY-UHFFFAOYSA-N -1 0 257.289 2.363 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(F)(F)C[C@H]1C(=O)[O-] ZINC000034219618 278381740 /nfs/dbraw/zinc/38/17/40/278381740.db2.gz BEYLYGCFFXJNQM-ZETCQYMHSA-N -1 0 265.256 2.106 40 0 CEABRM CC(C)CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466489 278864801 /nfs/dbraw/zinc/86/48/01/278864801.db2.gz DJDWDFNEKUILHT-TZMCWYRMSA-N -1 0 261.321 2.317 40 0 CEABRM CS(=O)(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000016947173 295555311 /nfs/dbraw/zinc/55/53/11/295555311.db2.gz KOXGKEZYGKWJMZ-UHFFFAOYSA-N -1 0 266.274 2.048 40 0 CEABRM Cc1c2[nH]nc(C(=O)[O-])c2ccc1Br ZINC000014985890 301022584 /nfs/dbraw/zinc/02/25/84/301022584.db2.gz ULINCJQNTOFFNO-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM Cc1ccc(Cl)cc1NC(=O)N/C=C/C(=O)[O-] ZINC000222696662 534147972 /nfs/dbraw/zinc/14/79/72/534147972.db2.gz BXOPFROJCOILFQ-SNAWJCMRSA-N -1 0 254.673 2.368 40 0 CEABRM CCOC(=O)C(C(=O)OCC)=C([O-])c1ccccc1Cl ZINC000050438904 520407982 /nfs/dbraw/zinc/40/79/82/520407982.db2.gz RRXOEBMEOKTIIG-UHFFFAOYSA-N -1 0 298.722 2.265 40 0 CEABRM CCC[C@]1(C)CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000064875790 521308551 /nfs/dbraw/zinc/30/85/51/521308551.db2.gz QJMTXSSIKUIELV-OAHLLOKOSA-N -1 0 275.304 2.455 40 0 CEABRM C[C@H](Cn1cc(Br)c(C(F)F)n1)C(=O)[O-] ZINC000408715760 230408563 /nfs/dbraw/zinc/40/85/63/230408563.db2.gz DHACDRZMXMBKDD-SCSAIBSYSA-N -1 0 283.072 2.304 40 0 CEABRM O=C([O-])c1ccc2nc(-c3cccc(F)c3)nn2c1 ZINC000082749745 178270581 /nfs/dbraw/zinc/27/05/81/178270581.db2.gz RYCSVBWSNGIJKC-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM Cc1nnc(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)[O-])o1 ZINC000007603590 343359079 /nfs/dbraw/zinc/35/90/79/343359079.db2.gz HESIGTLEBCOYMJ-DAXSKMNVSA-N -1 0 297.248 2.097 40 0 CEABRM CCCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466565 362363718 /nfs/dbraw/zinc/36/37/18/362363718.db2.gz NPCCIBUYZHLRMP-OCCSQVGLSA-N -1 0 261.321 2.461 40 0 CEABRM CSc1nc(N)cc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000049467454 362364596 /nfs/dbraw/zinc/36/45/96/362364596.db2.gz QPKJGARACFYINB-UHFFFAOYSA-N -1 0 276.321 2.223 40 0 CEABRM COc1ccc(OCc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000049468441 362365543 /nfs/dbraw/zinc/36/55/43/362365543.db2.gz WKURBNGAXRLGSY-UHFFFAOYSA-N -1 0 274.276 2.071 40 0 CEABRM O=C([O-])c1cnc2cccc(C(F)(F)F)c2c1O ZINC000115943763 344284536 /nfs/dbraw/zinc/28/45/36/344284536.db2.gz WAEYWIDTDWJDJA-UHFFFAOYSA-N -1 0 257.167 2.245 40 0 CEABRM O=C([O-])Cc1cn(CCF)nc1-c1cccs1 ZINC000409437522 344888791 /nfs/dbraw/zinc/88/87/91/344888791.db2.gz HRYDPJPNQGMESH-UHFFFAOYSA-N -1 0 254.286 2.208 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@H]1c1ccccn1 ZINC000409442991 344890091 /nfs/dbraw/zinc/89/00/91/344890091.db2.gz FGEVYVVXQRCVKS-JQWIXIFHSA-N -1 0 292.335 2.464 40 0 CEABRM CC1(C)CC(=O)C(=C([O-])CC[C@H]2CCCO2)C(=O)C1 ZINC000104832475 186026974 /nfs/dbraw/zinc/02/69/74/186026974.db2.gz YLHBEAJTTYGVDN-SNVBAGLBSA-N -1 0 266.337 2.089 40 0 CEABRM O=C([O-])Cc1ccc(I)c(F)c1F ZINC000021985465 304088903 /nfs/dbraw/zinc/08/89/03/304088903.db2.gz ILTFRFXYXPYBGH-UHFFFAOYSA-N -1 0 298.026 2.197 40 0 CEABRM CCCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000000569774 361187133 /nfs/dbraw/zinc/18/71/33/361187133.db2.gz XXQBFJPSPNSFFT-UHFFFAOYSA-N -1 0 280.349 2.306 40 0 CEABRM COc1ccc(C(=O)c2cccnc2C(=O)[O-])cc1 ZINC000001563686 361208742 /nfs/dbraw/zinc/20/87/42/361208742.db2.gz AYPXSNXRKBOINP-UHFFFAOYSA-N -1 0 257.245 2.019 40 0 CEABRM Nc1c(Cl)ncnc1Nc1cccc(C(=O)[O-])c1 ZINC000001680073 361215971 /nfs/dbraw/zinc/21/59/71/361215971.db2.gz CHCZXLAAFFVDIY-UHFFFAOYSA-N -1 0 264.672 2.154 40 0 CEABRM Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)[O-])cc1 ZINC000001670410 361216183 /nfs/dbraw/zinc/21/61/83/361216183.db2.gz DBWWHVGIQPLNEZ-UHFFFAOYSA-N -1 0 299.392 2.261 40 0 CEABRM COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C/C(=O)[O-] ZINC000002527024 361238298 /nfs/dbraw/zinc/23/82/98/361238298.db2.gz XYFRHHAYSXIKGH-GQCTYLIASA-N -1 0 275.260 2.061 40 0 CEABRM CCCCn1c(=O)c2ccccc2nc1SCC(=O)[O-] ZINC000004161553 361303006 /nfs/dbraw/zinc/30/30/06/361303006.db2.gz HDTYGWWBVFMDCG-UHFFFAOYSA-N -1 0 292.360 2.373 40 0 CEABRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000013434851 361428190 /nfs/dbraw/zinc/42/81/90/361428190.db2.gz LSZHOZYHPHHWJT-OAHLLOKOSA-N -1 0 297.310 2.487 40 0 CEABRM CNc1nc(C)cc(Nc2ccccc2C(=O)[O-])n1 ZINC000019798030 361555164 /nfs/dbraw/zinc/55/51/64/361555164.db2.gz UFTJETCESGSSQQ-UHFFFAOYSA-N -1 0 258.281 2.269 40 0 CEABRM Cn1c(SCC(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000026469039 361641105 /nfs/dbraw/zinc/64/11/05/361641105.db2.gz IPAMEYAOPPWDJX-UHFFFAOYSA-N -1 0 283.740 2.312 40 0 CEABRM O=C([O-])[C@H]1CCCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000096516945 364425966 /nfs/dbraw/zinc/42/59/66/364425966.db2.gz DHSRZPBGJNQYDB-NSHDSACASA-N -1 0 287.363 2.144 40 0 CEABRM COC(=O)C(=C(C)[O-])C(=O)c1ccc(Br)cc1 ZINC000103401690 364650864 /nfs/dbraw/zinc/65/08/64/364650864.db2.gz DDAGPKPTZSVHAO-SNVBAGLBSA-N -1 0 299.120 2.010 40 0 CEABRM Nc1cc(OCc2ccccc2)cc(C(=O)[O-])c1O ZINC000216753903 189706142 /nfs/dbraw/zinc/70/61/42/189706142.db2.gz PPAYQFMGYRECTK-UHFFFAOYSA-N -1 0 259.261 2.252 40 0 CEABRM O=C([O-])c1ccc(NC(=S)NC2CC2)cc1Cl ZINC000216927261 189707108 /nfs/dbraw/zinc/70/71/08/189707108.db2.gz SLRQSAXOAWZCMI-UHFFFAOYSA-N -1 0 270.741 2.487 40 0 CEABRM COc1cccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000170313954 367378753 /nfs/dbraw/zinc/37/87/53/367378753.db2.gz CCCZEANCYHQOSB-UHFFFAOYSA-N -1 0 299.326 2.422 40 0 CEABRM CCO[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000221029070 370234784 /nfs/dbraw/zinc/23/47/84/370234784.db2.gz AXJQUVLAJURZNV-SNVBAGLBSA-N -1 0 273.126 2.481 40 0 CEABRM Cc1nc(COc2ccc(F)cc2)ncc1C(=O)[O-] ZINC000217397256 370195569 /nfs/dbraw/zinc/19/55/69/370195569.db2.gz CITKKUXOZGLJFN-UHFFFAOYSA-N -1 0 262.240 2.201 40 0 CEABRM O=C([O-])[C@@H](Cc1cccc2ccccc21)N1CCOCC1 ZINC000225143343 370285606 /nfs/dbraw/zinc/28/56/06/370285606.db2.gz XEDMUOHEZKEDDV-MRXNPFEDSA-N -1 0 285.343 2.168 40 0 CEABRM COc1cc2oc(=O)c(C(=O)[O-])cc2cc1Cl ZINC000072219771 256707522 /nfs/dbraw/zinc/70/75/22/256707522.db2.gz SYMHUWGEDWKHKT-UHFFFAOYSA-N -1 0 254.625 2.153 40 0 CEABRM COCCn1c(CCC(=O)[O-])nc2cc(Cl)ccc21 ZINC000095095637 184942903 /nfs/dbraw/zinc/94/29/03/184942903.db2.gz IFGBKNXRCGGUEF-UHFFFAOYSA-N -1 0 282.727 2.353 40 0 CEABRM C/C=C/CN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21 ZINC000218786906 394456894 /nfs/dbraw/zinc/45/68/94/394456894.db2.gz BLTSNGMKKPXMDO-NSCUHMNNSA-N -1 0 289.331 2.395 40 0 CEABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccon1 ZINC000013320689 394463192 /nfs/dbraw/zinc/46/31/92/394463192.db2.gz AEVBZBPNWTXFMP-HIAZDOBYSA-N -1 0 290.319 2.306 40 0 CEABRM Cc1c(C(=O)[O-])cnc2c(-c3ccccc3)cnn21 ZINC000019772822 394469602 /nfs/dbraw/zinc/46/96/02/394469602.db2.gz OBCFKANBUMECNI-UHFFFAOYSA-N -1 0 253.261 2.403 40 0 CEABRM O=C([O-])[C@@H]1c2ccccc2C(=O)OC12CCSCC2 ZINC000062702407 394569838 /nfs/dbraw/zinc/56/98/38/394569838.db2.gz QLTMCIINOXARII-NSHDSACASA-N -1 0 278.329 2.291 40 0 CEABRM Cc1nn(C)c(OCC(=O)[O-])c1Sc1ccccc1 ZINC000096509684 394692958 /nfs/dbraw/zinc/69/29/58/394692958.db2.gz VSNIYMGKAQAPAQ-UHFFFAOYSA-N -1 0 278.333 2.343 40 0 CEABRM O=C([O-])c1cn(-c2cc(C3CC3)nc(C3CC3)n2)cn1 ZINC000096517368 394695025 /nfs/dbraw/zinc/69/50/25/394695025.db2.gz YZIOPIVFIWBXCH-UHFFFAOYSA-N -1 0 270.292 2.115 40 0 CEABRM COc1cc(F)c(C(=O)[O-])cc1I ZINC000147564326 394973183 /nfs/dbraw/zinc/97/31/83/394973183.db2.gz MDNCZSISNHLNOY-UHFFFAOYSA-N -1 0 296.035 2.137 40 0 CEABRM CSCC[C@H](Nc1cc(Cl)nc(C)n1)C(=O)[O-] ZINC000409426560 395304141 /nfs/dbraw/zinc/30/41/41/395304141.db2.gz FLKKAKMAFNDJGT-ZETCQYMHSA-N -1 0 275.761 2.057 40 0 CEABRM CC(C)(C)OC(=O)Nc1cccnc1CC(=O)[O-] ZINC000199714623 395470353 /nfs/dbraw/zinc/47/03/53/395470353.db2.gz AKDCSJSENKXBHC-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM CC(C)[C@@H]1CC[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000242649317 400315288 /nfs/dbraw/zinc/31/52/88/400315288.db2.gz SAOZGDGRXDWELD-ZANVPECISA-N -1 0 257.330 2.401 40 0 CEABRM CCc1cc(=O)n2[n-]cc(-c3ccc(OC)c(OC)c3)c2n1 ZINC000004998084 170052207 /nfs/dbraw/zinc/05/22/07/170052207.db2.gz SIARKZMUZIDUME-UHFFFAOYSA-N -1 0 299.330 2.269 40 0 CEABRM CC[C@@H]1c2c(cc(=O)[nH]c2[O-])C(=O)N1Cc1ccccc1 ZINC000005502283 170105246 /nfs/dbraw/zinc/10/52/46/170105246.db2.gz ZJVKLPBDIKWOHE-GFCCVEGCSA-N -1 0 284.315 2.188 40 0 CEABRM CC(C)(C)c1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000008016274 170313742 /nfs/dbraw/zinc/31/37/42/170313742.db2.gz UGQBXUZSOYSZMF-GFCCVEGCSA-N -1 0 275.348 2.417 40 0 CEABRM O=C([O-])CSc1n[nH]c(-c2cccc(Cl)c2)n1 ZINC000020159403 171039991 /nfs/dbraw/zinc/03/99/91/171039991.db2.gz JDAUXPNJBFIEPL-UHFFFAOYSA-N -1 0 269.713 2.302 40 0 CEABRM CN(C)[C@H](C(=O)[O-])c1ccccc1Br ZINC000037358464 173148348 /nfs/dbraw/zinc/14/83/48/173148348.db2.gz JTTFSGDWSKNCSS-VIFPVBQESA-N -1 0 258.115 2.136 40 0 CEABRM O=C([O-])CCNC(=O)/C=C/c1cccc(Br)c1 ZINC000037411812 173188389 /nfs/dbraw/zinc/18/83/89/173188389.db2.gz KRBOZRZSZSBMCH-SNAWJCMRSA-N -1 0 298.136 2.053 40 0 CEABRM CCCc1oc(C)c(C(=O)[O-])c1CN1CCOCC1 ZINC000039986429 174181899 /nfs/dbraw/zinc/18/18/99/174181899.db2.gz UCCHMZMZVPCSBP-UHFFFAOYSA-N -1 0 267.325 2.071 40 0 CEABRM COc1ccc(Br)c(/C=C/C(=O)[O-])c1O ZINC000044201209 175153742 /nfs/dbraw/zinc/15/37/42/175153742.db2.gz NTDFNKYCVQJORS-GORDUTHDSA-N -1 0 273.082 2.261 40 0 CEABRM COc1cccc(CC2(C(=O)[O-])CCOCC2)c1 ZINC000061674694 175652649 /nfs/dbraw/zinc/65/26/49/175652649.db2.gz CHJQGTMGQSAUCE-UHFFFAOYSA-N -1 0 250.294 2.119 40 0 CEABRM CC[C@H](C)n1ncc(I)c1C(=O)[O-] ZINC000072339318 176371692 /nfs/dbraw/zinc/37/16/92/176371692.db2.gz IDEMGAOUZOUEGH-YFKPBYRVSA-N -1 0 294.092 2.157 40 0 CEABRM O=C([O-])CCc1nc(COc2ccccc2Cl)no1 ZINC000078400906 177337704 /nfs/dbraw/zinc/33/77/04/177337704.db2.gz NEXLOPZIMLYCMF-UHFFFAOYSA-N -1 0 282.683 2.319 40 0 CEABRM O=C([O-])/C=C/c1cc(Br)cc2c1OCC2 ZINC000083324716 260302774 /nfs/dbraw/zinc/30/27/74/260302774.db2.gz SSCOONDQCGQTJE-OWOJBTEDSA-N -1 0 269.094 2.482 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](SCC(=O)[O-])C1 ZINC000079392092 278390356 /nfs/dbraw/zinc/39/03/56/278390356.db2.gz ONINWADOGJNGCZ-SECBINFHSA-N -1 0 275.370 2.204 40 0 CEABRM CC(C)[C@H]1CC[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000212517525 280414468 /nfs/dbraw/zinc/41/44/68/280414468.db2.gz NRYAJYVASNDZSV-NXEZZACHSA-N -1 0 257.330 2.495 40 0 CEABRM COc1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000006741626 295307189 /nfs/dbraw/zinc/30/71/89/295307189.db2.gz GCEVELMOSDKRLW-OAACRXHESA-N -1 0 289.331 2.381 40 0 CEABRM Cc1c(C(=O)[O-])nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020343087 300949993 /nfs/dbraw/zinc/94/99/93/300949993.db2.gz BQPQMVSHQHWUOL-UHFFFAOYSA-N -1 0 288.694 2.451 40 0 CEABRM CCCNC(=O)c1cc2nc(C(=O)[O-])n(C)c2cc1Cl ZINC000225730400 333182145 /nfs/dbraw/zinc/18/21/45/333182145.db2.gz FXVYAHAFTMUOHE-UHFFFAOYSA-N -1 0 295.726 2.065 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000022200475 517382840 /nfs/dbraw/zinc/38/28/40/517382840.db2.gz DIFRWCMZFYQBQP-NKWVEPMBSA-N -1 0 283.246 2.116 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2cccc(C)c2C)C1 ZINC000685936962 570388750 /nfs/dbraw/zinc/38/87/50/570388750.db2.gz FFLBSMOJQAHUAV-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM O=c1[n-]oc2c1CN(Cc1ccccc1)CC2(F)F ZINC000096028446 185067512 /nfs/dbraw/zinc/06/75/12/185067512.db2.gz ICWFCSLRBYSYRX-UHFFFAOYSA-N -1 0 266.247 2.488 40 0 CEABRM CCN(CC(=O)[O-])Cc1ccccc1Br ZINC000038017896 361983610 /nfs/dbraw/zinc/98/36/10/361983610.db2.gz PTRKTRFIUJRMGZ-UHFFFAOYSA-N -1 0 272.142 2.356 40 0 CEABRM Cc1nnc(SC(=Cc2cccc(O)c2)C(=O)[O-])[nH]1 ZINC000008272323 343361401 /nfs/dbraw/zinc/36/14/01/343361401.db2.gz ADOROTAHLYQBBE-POHAHGRESA-N -1 0 277.305 2.037 40 0 CEABRM O=C(Nc1ccccc1)c1nc2ccccc2c(=O)[n-]1 ZINC000028210244 343396667 /nfs/dbraw/zinc/39/66/67/343396667.db2.gz YYBWLFCCHNKWAK-UHFFFAOYSA-N -1 0 265.272 2.175 40 0 CEABRM C[C@@H](Oc1ccnc2c(F)ccc(F)c12)C(=O)[O-] ZINC000064875197 362798299 /nfs/dbraw/zinc/79/82/99/362798299.db2.gz AZEZZHJGZHKIEX-ZCFIWIBFSA-N -1 0 253.204 2.365 40 0 CEABRM COC(=O)c1[nH]c2cc(OC)ccc2c1/C=C\C(=O)[O-] ZINC000090513103 179995794 /nfs/dbraw/zinc/99/57/94/179995794.db2.gz AOPOXEBHYBIYOL-WAYWQWQTSA-N -1 0 275.260 2.061 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccccc1C(F)(F)F ZINC000032625331 304023954 /nfs/dbraw/zinc/02/39/54/304023954.db2.gz BUHKBTGELFUBBX-WAYWQWQTSA-N -1 0 259.183 2.285 40 0 CEABRM CNc1nc([O-])c([C@H](C)c2c[nH]c3ccccc32)s1 ZINC000001566816 361208664 /nfs/dbraw/zinc/20/86/64/361208664.db2.gz LNAVOACFLBACSL-PELKAZGASA-N -1 0 273.361 2.489 40 0 CEABRM CNc1nc([O-])c([C@@H](C)c2c[nH]c3ccccc32)s1 ZINC000001566815 361208921 /nfs/dbraw/zinc/20/89/21/361208921.db2.gz LNAVOACFLBACSL-UFBFGSQYSA-N -1 0 273.361 2.489 40 0 CEABRM O=C([O-])[C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001649309 361213547 /nfs/dbraw/zinc/21/35/47/361213547.db2.gz XZCYDMWCEOPIRU-LSDHHAIUSA-N -1 0 286.283 2.317 40 0 CEABRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000003166476 361266000 /nfs/dbraw/zinc/26/60/00/361266000.db2.gz WEPYFJDUOXPKEV-SECBINFHSA-N -1 0 275.226 2.130 40 0 CEABRM C[C@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000006253416 361336203 /nfs/dbraw/zinc/33/62/03/361336203.db2.gz LASNXWQAJQTKSB-SRVKXCTJSA-N -1 0 253.342 2.136 40 0 CEABRM CC(=O)c1ccc(-n2c(C)cc([O-])c(C(C)=O)c2=O)cc1 ZINC000016769720 361498548 /nfs/dbraw/zinc/49/85/48/361498548.db2.gz YLHUQFDQDBRRCQ-UHFFFAOYSA-N -1 0 285.299 2.257 40 0 CEABRM O=[S@]([O-])c1ccc(Br)c2nsnc21 ZINC000022113396 361586749 /nfs/dbraw/zinc/58/67/49/361586749.db2.gz BOSFRVQSFBRYMU-UHFFFAOYSA-N -1 0 279.140 2.034 40 0 CEABRM COc1cccc(C(=O)c2c([O-])cc(O)cc2O)c1 ZINC000095093358 364339127 /nfs/dbraw/zinc/33/91/27/364339127.db2.gz GOWGKFJLQBOVIW-UHFFFAOYSA-N -1 0 260.245 2.043 40 0 CEABRM CC([O-])=C1C(=O)CC(/C=C/c2ccccc2)CC1=O ZINC000100221655 364541471 /nfs/dbraw/zinc/54/14/71/364541471.db2.gz YFMHHXGMBVWMJG-BQYQJAHWSA-N -1 0 256.301 2.453 40 0 CEABRM COc1ccc(O)c(C(=O)C=C([O-])c2cccnc2)c1 ZINC000100404284 364546081 /nfs/dbraw/zinc/54/60/81/364546081.db2.gz DFPZOLOROANGTA-UHFFFAOYSA-N -1 0 271.272 2.252 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)[O-])[C@H]21 ZINC000252714589 371472849 /nfs/dbraw/zinc/47/28/49/371472849.db2.gz SIRIUJBYRLGXJF-UTLUCORTSA-N -1 0 255.314 2.107 40 0 CEABRM C[C@H]1N(C(=O)CC2(C(=O)[O-])CCC2)CCC12CCOCC2 ZINC000263563649 371942295 /nfs/dbraw/zinc/94/22/95/371942295.db2.gz DMABDCKBKLOFJO-GFCCVEGCSA-N -1 0 295.379 2.049 40 0 CEABRM O=C([O-])[C@H]1CS[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000002750029 304202077 /nfs/dbraw/zinc/20/20/77/304202077.db2.gz SDVSAMONKPNWEC-BUWDMPIASA-N -1 0 299.220 2.170 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCCCCC1 ZINC000016551825 304210276 /nfs/dbraw/zinc/21/02/76/304210276.db2.gz BDXZQZCHVGCKDL-RNJOBUHISA-N -1 0 265.353 2.136 40 0 CEABRM O=C([O-])c1cc(=O)[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000049470030 304220035 /nfs/dbraw/zinc/22/00/35/304220035.db2.gz RWWIHTINFTYSGD-UHFFFAOYSA-N -1 0 285.086 2.442 40 0 CEABRM O=C([N-]S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000000244538 169585579 /nfs/dbraw/zinc/58/55/79/169585579.db2.gz MUUJIDJGBHCKEI-UHFFFAOYSA-N -1 0 291.328 2.302 40 0 CEABRM O=C([O-])c1ccc(-n2ccnc2)c(-n2cccc2)c1 ZINC000019399744 304231159 /nfs/dbraw/zinc/23/11/59/304231159.db2.gz DLJDRLXDXRLMHB-UHFFFAOYSA-N -1 0 253.261 2.361 40 0 CEABRM CCc1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 ZINC000000421337 169636394 /nfs/dbraw/zinc/63/63/94/169636394.db2.gz VIIVDXPSNAHCJJ-UHFFFAOYSA-N -1 0 294.332 2.388 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000396422172 256687679 /nfs/dbraw/zinc/68/76/79/256687679.db2.gz IRYZLPTYEPXCMO-NWDGAFQWSA-N -1 0 292.335 2.464 40 0 CEABRM O=C([N-]OCc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000001101500 169690373 /nfs/dbraw/zinc/69/03/73/169690373.db2.gz ZTMUMRSDBMXKKX-HNNXBMFYSA-N -1 0 285.299 2.074 40 0 CEABRM O=C([O-])CO[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000095096416 184943342 /nfs/dbraw/zinc/94/33/42/184943342.db2.gz PZDUGHCEQJUUEU-LLVKDONJSA-N -1 0 292.209 2.162 40 0 CEABRM O=C([O-])c1coc2c1[C@H](O)C[C@@H](C(F)(F)F)C2 ZINC000085399211 304281860 /nfs/dbraw/zinc/28/18/60/304281860.db2.gz VOTQTWQZMGNCGI-INEUFUBQSA-N -1 0 250.172 2.136 40 0 CEABRM Cc1cccc(C)c1-c1nnc(SCC(=O)[O-])n1C ZINC000228845401 394476492 /nfs/dbraw/zinc/47/64/92/394476492.db2.gz VHMFAWCIBRESGL-UHFFFAOYSA-N -1 0 277.349 2.276 40 0 CEABRM CCOC(=O)c1[n-]n(Cc2ccccc2)c(=O)c1Cl ZINC000096510751 394694010 /nfs/dbraw/zinc/69/40/10/394694010.db2.gz GOJZAWIQEDXMFS-UHFFFAOYSA-N -1 0 280.711 2.467 40 0 CEABRM CCCCC[C@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-] ZINC000008615439 170343050 /nfs/dbraw/zinc/34/30/50/170343050.db2.gz UFBYEEDWABJWPK-ZETCQYMHSA-N -1 0 295.368 2.061 40 0 CEABRM CCOc1cc(C=O)ccc1OCCSCC(=O)[O-] ZINC000020131572 171020022 /nfs/dbraw/zinc/02/00/22/171020022.db2.gz LNPGHFWYKNEOQQ-UHFFFAOYSA-N -1 0 284.333 2.094 40 0 CEABRM Cc1n[nH]c([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC000038580634 174147974 /nfs/dbraw/zinc/14/79/74/174147974.db2.gz IQZZZHVFXYJEPY-VIFPVBQESA-N -1 0 295.339 2.141 40 0 CEABRM Nc1c(C(=O)[O-])cnn1-c1ccc(Cl)c(Cl)c1 ZINC000041405588 174547014 /nfs/dbraw/zinc/54/70/14/174547014.db2.gz HAIMXWFIFJFUTJ-UHFFFAOYSA-N -1 0 272.091 2.460 40 0 CEABRM O=C([O-])c1cc(OC(F)F)n(-c2ccccc2)n1 ZINC000256054869 419470512 /nfs/dbraw/zinc/47/05/12/419470512.db2.gz YCZAGJBZNGEDKZ-UHFFFAOYSA-N -1 0 254.192 2.172 40 0 CEABRM CCSc1nn2c([n-]1)nc(Cc1ccccc1)cc2=O ZINC000014164073 261784735 /nfs/dbraw/zinc/78/47/35/261784735.db2.gz QEKCDWWJQHUKBH-UHFFFAOYSA-N -1 0 286.360 2.120 40 0 CEABRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(F)(F)F ZINC000100010416 300896429 /nfs/dbraw/zinc/89/64/29/300896429.db2.gz XJJDGTPFEFAAMV-UHFFFAOYSA-N -1 0 270.210 2.219 40 0 CEABRM Cc1ccccc1-c1cc2ncc(C(=O)[O-])cn2n1 ZINC000211793450 302074097 /nfs/dbraw/zinc/07/40/97/302074097.db2.gz QWSUVPVOWLAGPH-UHFFFAOYSA-N -1 0 253.261 2.403 40 0 CEABRM CC(C)(C)NC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000244228106 333427051 /nfs/dbraw/zinc/42/70/51/333427051.db2.gz WDUQCORPCDFNES-UHFFFAOYSA-N -1 0 266.366 2.147 40 0 CEABRM O=C([O-])C[C@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000057548279 527632171 /nfs/dbraw/zinc/63/21/71/527632171.db2.gz NBPMNZWIQODKCH-ZDUSSCGKSA-N -1 0 261.321 2.257 40 0 CEABRM O=C([O-])COc1ccc(Br)c2cccnc12 ZINC000082787072 178292990 /nfs/dbraw/zinc/29/29/90/178292990.db2.gz ONNYFNMYGYQCIL-UHFFFAOYSA-N -1 0 282.093 2.461 40 0 CEABRM COc1ccc(-c2sc(N)nc2C(=O)[O-])cc1OC ZINC000083239608 178366610 /nfs/dbraw/zinc/36/66/10/178366610.db2.gz XTSGEBMBIDHJNW-UHFFFAOYSA-N -1 0 280.305 2.108 40 0 CEABRM O=C([O-])C1=Cc2sc(Cn3ccnc3)cc2CC1 ZINC000036242168 361837191 /nfs/dbraw/zinc/83/71/91/361837191.db2.gz KRBSZXUPPSXPAN-UHFFFAOYSA-N -1 0 260.318 2.407 40 0 in-man CEABRM Cc1ccc(N2N=C(C(=O)[O-])CC2=O)cc1Cl ZINC000042411240 362091514 /nfs/dbraw/zinc/09/15/14/362091514.db2.gz GDIOYBVVJVOMSJ-UHFFFAOYSA-N -1 0 252.657 2.238 40 0 CEABRM COc1cc(C=NNc2ccccn2)cc([N+](=O)[O-])c1[O-] ZINC000136365097 344384736 /nfs/dbraw/zinc/38/47/36/344384736.db2.gz WIPAYCMLULVQOI-NVNXTCNLSA-N -1 0 288.263 2.150 40 0 CEABRM CCCNc1nn(-c2cc(C)ccc2C)nc1C(=O)[O-] ZINC000256047080 344646927 /nfs/dbraw/zinc/64/69/27/344646927.db2.gz KGCVFHMXNGBRFS-UHFFFAOYSA-N -1 0 274.324 2.404 40 0 CEABRM O=C([O-])c1cncc(NCc2ccc3c(c2)OCO3)c1 ZINC000257198253 344647584 /nfs/dbraw/zinc/64/75/84/344647584.db2.gz XFYFBBOLRFFYHM-UHFFFAOYSA-N -1 0 272.260 2.121 40 0 CEABRM COc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1Cl ZINC000085393376 179048741 /nfs/dbraw/zinc/04/87/41/179048741.db2.gz KKRFAEDYDKXRIR-HQJQHLMTSA-N -1 0 270.668 2.037 40 0 CEABRM CC(C)Oc1cccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c1 ZINC000085394614 179049017 /nfs/dbraw/zinc/04/90/17/179049017.db2.gz CROGODDINCRNBN-WCQYABFASA-N -1 0 264.277 2.163 40 0 CEABRM CCCOc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1 ZINC000085394648 179049033 /nfs/dbraw/zinc/04/90/33/179049033.db2.gz CNONTBIMBXDNNI-DGCLKSJQSA-N -1 0 264.277 2.164 40 0 CEABRM CCOc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OCC ZINC000085394849 179049300 /nfs/dbraw/zinc/04/93/00/179049300.db2.gz BIVVQVMTAXTBQO-YGRLFVJLSA-N -1 0 294.303 2.173 40 0 CEABRM CC(C)(C)OC(=O)N1Cc2nc(C(=O)[O-])sc2C1 ZINC000062716720 362720845 /nfs/dbraw/zinc/72/08/45/362720845.db2.gz HJCSXJBMSSXPGR-UHFFFAOYSA-N -1 0 270.310 2.092 40 0 CEABRM CCn1c2cc(Cl)ccc2nc1[C@H](O)CC(=O)[O-] ZINC000064874487 362796552 /nfs/dbraw/zinc/79/65/52/362796552.db2.gz OYOGZWFGOURQMX-SNVBAGLBSA-N -1 0 268.700 2.218 40 0 CEABRM COc1cc(OC)cc([C@H]2OC(=N)C(O)=C2[O-])c1 ZINC000104240439 185941084 /nfs/dbraw/zinc/94/10/84/185941084.db2.gz DWEJNOXLNAYUMK-LLVKDONJSA-N -1 0 251.238 2.080 40 0 CEABRM C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3[C@@H](O)C(C)(C)C[C@]123 ZINC000104888563 186030028 /nfs/dbraw/zinc/03/00/28/186030028.db2.gz WBLTVUMJMJIOGQ-WSWLIKMPSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM Cc1ccccc1-n1ccc(Cl)c(C(=O)[O-])c1=O ZINC000575423352 366283922 /nfs/dbraw/zinc/28/39/22/366283922.db2.gz MILXTBWTHIBTFF-UHFFFAOYSA-N -1 0 263.680 2.498 40 0 CEABRM O=C([O-])[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000329020348 202154199 /nfs/dbraw/zinc/15/41/99/202154199.db2.gz OBLCDMGVXPRKKD-GFCCVEGCSA-N -1 0 250.294 2.256 40 0 CEABRM O=S(=O)([O-])c1cccc(Br)c1CCF ZINC000199760173 538873203 /nfs/dbraw/zinc/87/32/03/538873203.db2.gz WEYMRRXEJOXGAF-UHFFFAOYSA-N -1 0 283.118 2.208 40 0 CEABRM CCO[Si](CCCCC(=O)[O-])(OCC)OCC ZINC000196894424 540300873 /nfs/dbraw/zinc/30/08/73/540300873.db2.gz JECXEVVJRHQJHK-UHFFFAOYSA-N -1 0 264.394 2.290 40 0 CEABRM O=C([O-])CCc1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000001556742 361207373 /nfs/dbraw/zinc/20/73/73/361207373.db2.gz OQYPBJBLKGCUNA-UHFFFAOYSA-N -1 0 294.310 2.403 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000002511448 361236680 /nfs/dbraw/zinc/23/66/80/361236680.db2.gz BMSUXJZKOGWPGP-SNVBAGLBSA-N -1 0 269.272 2.476 40 0 CEABRM C[C@@H]1CCC[C@H](C)N1C(=O)[N-]C(=O)C(F)(F)F ZINC000013306281 361425524 /nfs/dbraw/zinc/42/55/24/361425524.db2.gz ZHKJXSSAMZHLBW-KNVOCYPGSA-N -1 0 252.236 2.048 40 0 CEABRM CC(=O)N[C@H](CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000016320992 361485794 /nfs/dbraw/zinc/48/57/94/361485794.db2.gz JMFAQCWDNUYCHR-LLVKDONJSA-N -1 0 287.768 2.163 40 0 CEABRM O=c1cc(Cn2cccn2)nc2c(-c3ccccc3)c[n-]n21 ZINC000019374328 361529108 /nfs/dbraw/zinc/52/91/08/361529108.db2.gz KKWHVTJRLOGEND-UHFFFAOYSA-N -1 0 291.314 2.347 40 0 CEABRM COc1ccccc1[C@H](OCC(=O)[O-])C(F)(F)F ZINC000095096427 364340501 /nfs/dbraw/zinc/34/05/01/364340501.db2.gz JJNVSEQXZLTZND-JTQLQIEISA-N -1 0 264.199 2.400 40 0 CEABRM COc1cc(OC)cc([C@@H]2OC(=N)C(O)=C2[O-])c1 ZINC000104240444 364688739 /nfs/dbraw/zinc/68/87/39/364688739.db2.gz DWEJNOXLNAYUMK-NSHDSACASA-N -1 0 251.238 2.080 40 0 CEABRM O=C([O-])CSc1cc(Nc2ccccc2)ncn1 ZINC000226100339 189769314 /nfs/dbraw/zinc/76/93/14/189769314.db2.gz WENZONPZUACTLL-UHFFFAOYSA-N -1 0 261.306 2.397 40 0 CEABRM CC(C)Nc1ncc(C(=O)[O-])cc1Br ZINC000215959342 370182363 /nfs/dbraw/zinc/18/23/63/370182363.db2.gz VXKREAXWLZRCDW-UHFFFAOYSA-N -1 0 259.103 2.363 40 0 CEABRM CC[C@H](Sc1n[nH]c(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000224975507 370284433 /nfs/dbraw/zinc/28/44/33/370284433.db2.gz AWEDSEZXUPVCPP-JTQLQIEISA-N -1 0 293.348 2.436 40 0 CEABRM CCCCCCC1=C(C)C(=O)N([C@@H](C)C(=O)[O-])C1=O ZINC000253398173 371514984 /nfs/dbraw/zinc/51/49/84/371514984.db2.gz GRHGSHZGVBVDJV-JTQLQIEISA-N -1 0 267.325 2.115 40 0 biogenic,in-vitro CEABRM CCn1ncc(S(=O)(=O)[N-]c2ccccc2C)c1F ZINC000253399507 371515102 /nfs/dbraw/zinc/51/51/02/371515102.db2.gz JONWJVXVBCQUQI-UHFFFAOYSA-N -1 0 283.328 2.151 40 0 CEABRM Cc1nc([C@@H]2CN(c3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257336782 371613779 /nfs/dbraw/zinc/61/37/79/371613779.db2.gz YQAKMXOSIICNAM-AWEZNQCLSA-N -1 0 289.310 2.208 40 0 CEABRM O=C([O-])CCn1cc(Br)c(C(F)F)n1 ZINC000408715830 375516723 /nfs/dbraw/zinc/51/67/23/375516723.db2.gz FISVNSGVQJTLKG-UHFFFAOYSA-N -1 0 269.045 2.058 40 0 CEABRM Cc1cnn(CCF)c1NCc1ccccc1C(=O)[O-] ZINC000256050007 190002850 /nfs/dbraw/zinc/00/28/50/190002850.db2.gz CGMBNVXFRUJMRN-UHFFFAOYSA-N -1 0 277.299 2.471 40 0 CEABRM C[C@@H]1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]231 ZINC000014649115 296263695 /nfs/dbraw/zinc/26/36/95/296263695.db2.gz MRLXXQBBRNRWDA-LIEMUPCESA-N -1 0 264.321 2.243 40 0 biogenic,in-vitro CEABRM O=C([O-])c1cccc2c1Oc1ccccc1S2(=O)=O ZINC000001561929 304266340 /nfs/dbraw/zinc/26/63/40/304266340.db2.gz CAEGKBNGCLRKAR-UHFFFAOYSA-N -1 0 276.269 2.323 40 0 CEABRM CCc1cc2c(nc(C)nc2N[C@@H](C)C(=O)[O-])s1 ZINC000000572973 169671051 /nfs/dbraw/zinc/67/10/51/169671051.db2.gz ICXSLMCMDCTVJJ-LURJTMIESA-N -1 0 265.338 2.447 40 0 CEABRM O=C([O-])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716612 394570257 /nfs/dbraw/zinc/57/02/57/394570257.db2.gz HKWYUFTVZLTUED-UHFFFAOYSA-N -1 0 278.651 2.354 40 0 CEABRM Cc1cc(C(=O)N[C@H](C)c2onc(C)c2C(=O)[O-])c(C)o1 ZINC000096297025 394678895 /nfs/dbraw/zinc/67/88/95/394678895.db2.gz NXKVZVJGJBHNGH-MRVPVSSYSA-N -1 0 292.291 2.382 40 0 biogenic,in-vitro CEABRM CSc1nc2ccc(S(=O)(=O)[O-])cc2s1 ZINC000001737069 169753155 /nfs/dbraw/zinc/75/31/55/169753155.db2.gz ZOINTWMLIJDIQB-UHFFFAOYSA-N -1 0 261.349 2.265 40 0 CEABRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000004968798 170046876 /nfs/dbraw/zinc/04/68/76/170046876.db2.gz CNIHVEOQZMBJSB-UHFFFAOYSA-N -1 0 270.285 2.231 40 0 CEABRM Cc1cn(Cc2ccccc2)nc1OC(C)(C)C(=O)[O-] ZINC000005423137 170097929 /nfs/dbraw/zinc/09/79/29/170097929.db2.gz DLGPHBFHZSWNLW-UHFFFAOYSA-N -1 0 274.320 2.482 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCC[C@H]2C)cc1 ZINC000005814646 170142379 /nfs/dbraw/zinc/14/23/79/170142379.db2.gz WHRYSDFMRZTUIO-GFCCVEGCSA-N -1 0 296.392 2.268 40 0 CEABRM CC(C)C(=O)Nc1ccccc1SCC(=O)[O-] ZINC000008732824 170351626 /nfs/dbraw/zinc/35/16/26/170351626.db2.gz ZUCCRPBRCYDWJW-UHFFFAOYSA-N -1 0 253.323 2.458 40 0 CEABRM CC(=O)N[C@@H](CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000016320990 170693673 /nfs/dbraw/zinc/69/36/73/170693673.db2.gz JMFAQCWDNUYCHR-NSHDSACASA-N -1 0 287.768 2.163 40 0 CEABRM CC(C)[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000020304992 171141943 /nfs/dbraw/zinc/14/19/43/171141943.db2.gz PORCDMZBKKNNEH-SNVBAGLBSA-N -1 0 287.262 2.127 40 0 CEABRM CCn1c([O-])cc(C)c(C(=O)c2ccccc2)c1=O ZINC000022116383 171353580 /nfs/dbraw/zinc/35/35/80/171353580.db2.gz VVSJIPCKQGUWNJ-UHFFFAOYSA-N -1 0 257.289 2.113 40 0 CEABRM CCn1nc(-c2ccccc2Cl)cc(C(=O)[O-])c1=O ZINC000077064391 177177985 /nfs/dbraw/zinc/17/79/85/177177985.db2.gz ZQBPLMJLHGVKQP-UHFFFAOYSA-N -1 0 278.695 2.282 40 0 CEABRM CCO/C(=C\c1ccc2c(c1)OCO2)c1n[n-]c(=N)s1 ZINC000408718091 260028016 /nfs/dbraw/zinc/02/80/16/260028016.db2.gz IULAMHJWNLSDLQ-WDZFZDKYSA-N -1 0 291.332 2.214 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(C2CC2)CC1 ZINC000077273724 278381414 /nfs/dbraw/zinc/38/14/14/278381414.db2.gz VEGQCXJWRBSFHD-UHFFFAOYSA-N -1 0 269.341 2.498 40 0 in-vitro CEABRM Cc1cc(F)ccc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000235626818 301310177 /nfs/dbraw/zinc/31/01/77/301310177.db2.gz AMHVXUFGFQASLL-ZANVPECISA-N -1 0 279.311 2.459 40 0 CEABRM N=c1[n-]nc(-c2cc(C(F)(F)F)nn2CC(F)F)s1 ZINC000408717444 303233704 /nfs/dbraw/zinc/23/37/04/303233704.db2.gz AKEIZDQQCCCJCH-UHFFFAOYSA-N -1 0 299.228 2.098 40 0 CEABRM O=C([O-])[C@H]1OC(c2cccc(Cl)c2)=NC12CC2 ZINC000006480395 230369748 /nfs/dbraw/zinc/36/97/48/230369748.db2.gz GTAKFTHYXMGZGB-SECBINFHSA-N -1 0 251.669 2.103 40 0 CEABRM O=C([O-])CNc1c(F)cc(F)cc1Br ZINC000037116946 361898283 /nfs/dbraw/zinc/89/82/83/361898283.db2.gz JMOCJQDCFIMGBO-UHFFFAOYSA-N -1 0 266.041 2.224 40 0 CEABRM C[C@@H](c1ccc(Cl)cc1)N1C[C@@H](C(=O)[O-])CC1=O ZINC000042340629 362085199 /nfs/dbraw/zinc/08/51/99/362085199.db2.gz WASXNRJTQTZWRN-WPRPVWTQSA-N -1 0 267.712 2.334 40 0 CEABRM CCN1CCN(C(=S)c2ccc([O-])c(Cl)c2)CC1 ZINC000006953493 343357585 /nfs/dbraw/zinc/35/75/85/343357585.db2.gz QSMFTZZBAUOOLO-UHFFFAOYSA-N -1 0 284.812 2.359 40 0 CEABRM Nc1cc(S(=O)(=O)[O-])ccc1Nc1ccccc1 ZINC000144261044 344407315 /nfs/dbraw/zinc/40/73/15/344407315.db2.gz ABNWONYLFMZVQN-UHFFFAOYSA-N -1 0 264.306 2.259 40 0 CEABRM O=C([O-])[C@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000168135620 344479661 /nfs/dbraw/zinc/47/96/61/344479661.db2.gz ZQITVLMSRVPTCG-SECBINFHSA-N -1 0 273.210 2.285 40 0 CEABRM O=C([O-])c1ccc(OCC2CCOCC2)c(F)c1 ZINC000054553524 362537450 /nfs/dbraw/zinc/53/74/50/362537450.db2.gz LHMSQNMXMRGKHC-UHFFFAOYSA-N -1 0 254.257 2.329 40 0 CEABRM CCOc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OCC ZINC000085394854 179049323 /nfs/dbraw/zinc/04/93/23/179049323.db2.gz BIVVQVMTAXTBQO-IINYFYTJSA-N -1 0 294.303 2.173 40 0 CEABRM Nc1c(Cl)ccc(Br)c1C(=O)[O-] ZINC000061691902 362687286 /nfs/dbraw/zinc/68/72/86/362687286.db2.gz TZHCKHYMRRCAKE-UHFFFAOYSA-N -1 0 250.479 2.383 40 0 CEABRM CC(C)C[C@@]1(C)CC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000064875739 362798119 /nfs/dbraw/zinc/79/81/19/362798119.db2.gz ULVIDINGSPCZDF-HNNXBMFYSA-N -1 0 283.368 2.443 40 0 CEABRM CC(C)C[C@]1(C)CC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000064875736 362798443 /nfs/dbraw/zinc/79/84/43/362798443.db2.gz ULVIDINGSPCZDF-OAHLLOKOSA-N -1 0 283.368 2.443 40 0 CEABRM COc1ccc(Cl)c2c(=O)ccn([C@H](C)C(=O)[O-])c12 ZINC000064874747 362798585 /nfs/dbraw/zinc/79/85/85/362798585.db2.gz AWOZQLMFONKENP-SSDOTTSWSA-N -1 0 281.695 2.309 40 0 CEABRM O=C(Nc1ccccc1)c1snc2c1[n-]cnc2=O ZINC000013564113 304008178 /nfs/dbraw/zinc/00/81/78/304008178.db2.gz MIZGXJZEMMDNLK-UHFFFAOYSA-N -1 0 272.289 2.044 40 0 CEABRM CCOC(=O)c1[n-]c2cccc(OC)c2c(=O)c1Cl ZINC000685937363 540319080 /nfs/dbraw/zinc/31/90/80/540319080.db2.gz NTTQPCWKEYPBHK-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](SCC(=O)[O-])C1 ZINC000079392089 363594121 /nfs/dbraw/zinc/59/41/21/363594121.db2.gz ONINWADOGJNGCZ-VIFPVBQESA-N -1 0 275.370 2.204 40 0 CEABRM COC(=O)[C@@H](CC(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000001708527 361218162 /nfs/dbraw/zinc/21/81/62/361218162.db2.gz SIEYAZMHRJHSEX-CABZTGNLSA-N -1 0 266.293 2.063 40 0 CEABRM CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)CC(=O)[O-] ZINC000001706084 361218389 /nfs/dbraw/zinc/21/83/89/361218389.db2.gz LRWQNWWCMOMPGM-YRNVUSSQSA-N -1 0 294.303 2.125 40 0 CEABRM CCOc1ccc(C(=O)CSCCC(=O)[O-])cc1 ZINC000004176956 361304156 /nfs/dbraw/zinc/30/41/56/361304156.db2.gz VFDKJNUWGDTVNP-UHFFFAOYSA-N -1 0 268.334 2.476 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1N1C(=O)CC(C)(C)CC1=O ZINC000006033972 361335570 /nfs/dbraw/zinc/33/55/70/361335570.db2.gz VDEJPSOTYZKSTR-UHFFFAOYSA-N -1 0 275.304 2.373 40 0 CEABRM Cc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-] ZINC000082576296 363770373 /nfs/dbraw/zinc/77/03/73/363770373.db2.gz RZXPQGURVSXIER-UHFFFAOYSA-N -1 0 271.198 2.293 40 0 CEABRM CSC1=NC(=O)C(Cc2ccc(F)cc2)C([O-])=N1 ZINC000013454001 361427871 /nfs/dbraw/zinc/42/78/71/361427871.db2.gz PIAXDWLUTIZFPN-UHFFFAOYSA-N -1 0 266.297 2.340 40 0 CEABRM C[C@@H](CO)CCC[C@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000031159064 361709505 /nfs/dbraw/zinc/70/95/05/361709505.db2.gz ISHXRANDGDVGJS-BMIGLBTASA-N -1 0 282.336 2.097 40 0 biogenic,in-vitro CEABRM CCc1c(C)[n-]n2c1nc(C[C@@H](C)n1cccn1)cc2=O ZINC000100231145 364542459 /nfs/dbraw/zinc/54/24/59/364542459.db2.gz KFALIZUCZJSEKB-SNVBAGLBSA-N -1 0 285.351 2.306 40 0 CEABRM COC(=O)C(=C(C)[O-])C(=O)c1cccc2ccccc21 ZINC000100292215 364543703 /nfs/dbraw/zinc/54/37/03/364543703.db2.gz OEHUIQFYMNEDDH-AWEZNQCLSA-N -1 0 270.284 2.401 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1F ZINC000101818648 364575236 /nfs/dbraw/zinc/57/52/36/364575236.db2.gz MFNCECIILNXPSI-FQPOAREZSA-N -1 0 275.279 2.287 40 0 CEABRM COc1ccccc1C[C@H](OCC(C)C)C(=O)[O-] ZINC000225098435 189743843 /nfs/dbraw/zinc/74/38/43/189743843.db2.gz RRVJQLSVLQKNIY-ZDUSSCGKSA-N -1 0 252.310 2.364 40 0 CEABRM Cc1nc(-c2ccc(N3CCCC3)c(N)c2)ncc1C(=O)[O-] ZINC000225404470 189749361 /nfs/dbraw/zinc/74/93/61/189749361.db2.gz IUAUZSFWJACJLN-UHFFFAOYSA-N -1 0 298.346 2.333 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000222436331 304155434 /nfs/dbraw/zinc/15/54/34/304155434.db2.gz XUCHOVFTLZVJMH-RFQIPJPRSA-N -1 0 277.364 2.206 40 0 CEABRM CCO[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000221029010 370235495 /nfs/dbraw/zinc/23/54/95/370235495.db2.gz AXJQUVLAJURZNV-JTQLQIEISA-N -1 0 273.126 2.481 40 0 CEABRM CCOc1ccccc1OCc1ncc(C(=O)[O-])c(C)n1 ZINC000217400420 370195435 /nfs/dbraw/zinc/19/54/35/370195435.db2.gz BHVDIZQUYGTSIT-UHFFFAOYSA-N -1 0 288.303 2.461 40 0 CEABRM COc1ccc(OC)c(C[C@H](OC(C)C)C(=O)[O-])c1 ZINC000225116641 370285675 /nfs/dbraw/zinc/28/56/75/370285675.db2.gz IWTFTVMXADIRBF-ZDUSSCGKSA-N -1 0 268.309 2.125 40 0 CEABRM CCn1ncc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1F ZINC000253404377 371516209 /nfs/dbraw/zinc/51/62/09/371516209.db2.gz QZWAXAWJSJPRCQ-UHFFFAOYSA-N -1 0 297.355 2.460 40 0 CEABRM CC(C)(C)NC(=S)Nc1ccc(C(=O)[O-])cc1O ZINC000408586402 375513663 /nfs/dbraw/zinc/51/36/63/375513663.db2.gz OQCUTXVQTWAPJU-UHFFFAOYSA-N -1 0 268.338 2.175 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccncc1 ZINC000033413968 304212496 /nfs/dbraw/zinc/21/24/96/304212496.db2.gz GYDUZVVONNPJNH-QWHCGFSZSA-N -1 0 269.256 2.162 40 0 CEABRM O=C([O-])c1[nH]c(=O)[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000021986636 304216056 /nfs/dbraw/zinc/21/60/56/304216056.db2.gz NSFCXGZBPKYVLC-UHFFFAOYSA-N -1 0 272.182 2.087 40 0 CEABRM COC(=O)c1cc(=O)c2c(C)nc(-c3ccccc3)nc2[n-]1 ZINC000000141064 169551580 /nfs/dbraw/zinc/55/15/80/169551580.db2.gz LEGPAFJPIUHIJP-UHFFFAOYSA-N -1 0 295.298 2.492 40 0 CEABRM O=C([O-])c1ccccc1C(=O)O[C@@H]1CC[C@H]2CC[C@@H]1O2 ZINC000045027865 304267264 /nfs/dbraw/zinc/26/72/64/304267264.db2.gz AZHIWJNGSUNNIO-JIMOISOXSA-N -1 0 276.288 2.252 40 0 CEABRM O=C1CCCC(=O)C1=C([O-])c1cnn(C2CCCC2)c1 ZINC000103619376 256701418 /nfs/dbraw/zinc/70/14/18/256701418.db2.gz FLCRLTDCFNXGNF-UHFFFAOYSA-N -1 0 274.320 2.119 40 0 CEABRM CCCCOc1ccccc1/C=C/C(=O)N[C@@H](C)C(=O)[O-] ZINC000062714937 394570051 /nfs/dbraw/zinc/57/00/51/394570051.db2.gz RELFXGSABWDNKQ-VMPCVLLUSA-N -1 0 291.347 2.468 40 0 CEABRM C[C@@H](c1ccccc1Br)n1cc(C(=O)[O-])nn1 ZINC000096510227 394693369 /nfs/dbraw/zinc/69/33/69/394693369.db2.gz KTGMKIFPUYHHSQ-ZETCQYMHSA-N -1 0 296.124 2.348 40 0 CEABRM O=C([O-])[C@@H]1CCN(c2nc(C3CC3)nc3c2CCCC3)C1 ZINC000096516978 394693952 /nfs/dbraw/zinc/69/39/52/394693952.db2.gz ZRXFJMJIMNOJEH-LLVKDONJSA-N -1 0 287.363 2.144 40 0 CEABRM COC(=O)c1scc2c1[n-]c(C(F)(F)F)cc2=O ZINC000100393083 292042298 /nfs/dbraw/zinc/04/22/98/292042298.db2.gz TXKLKXDFQLQJJI-UHFFFAOYSA-N -1 0 277.223 2.395 40 0 CEABRM C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614637 299776486 /nfs/dbraw/zinc/77/64/86/299776486.db2.gz HQGJKFJOZCPTLE-RNJOBUHISA-N -1 0 265.353 2.348 40 0 CEABRM O=C([O-])C1(NC(=O)NCc2ccccc2)CCCCC1 ZINC000005000279 170052591 /nfs/dbraw/zinc/05/25/91/170052591.db2.gz FAQIEJDWZPIKIH-UHFFFAOYSA-N -1 0 276.336 2.273 40 0 CEABRM O=P([O-])(OCC(F)(F)F)OCC(F)(F)F ZINC000005287084 170083323 /nfs/dbraw/zinc/08/33/23/170083323.db2.gz XBUGKDHALPQOTH-UHFFFAOYSA-N -1 0 262.042 2.245 40 0 CEABRM CC[C@@H](Oc1ccc(OC)c2c1C(=O)CCC2)C(=O)[O-] ZINC000006002657 170167363 /nfs/dbraw/zinc/16/73/63/170167363.db2.gz BHFITVWINNJZBK-LLVKDONJSA-N -1 0 278.304 2.456 40 0 CEABRM Cc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)[O-] ZINC000006501373 170207824 /nfs/dbraw/zinc/20/78/24/170207824.db2.gz PSQPODQEYLZZKW-SECBINFHSA-N -1 0 262.261 2.262 40 0 CEABRM O=C([O-])Cc1csc(NCCc2ccccc2)n1 ZINC000008024999 170314525 /nfs/dbraw/zinc/31/45/25/170314525.db2.gz DFCOACWAITUPOR-UHFFFAOYSA-N -1 0 262.334 2.425 40 0 CEABRM CCOc1ccc(C(C)=O)cc1NC(=O)CCC(=O)[O-] ZINC000008732326 170351502 /nfs/dbraw/zinc/35/15/02/170351502.db2.gz KOWTWNSQRULKKY-UHFFFAOYSA-N -1 0 279.292 2.091 40 0 CEABRM O=C(Nc1ccccc1O)n1[n-]c2c(c1=O)CCCC2 ZINC000009926852 170390907 /nfs/dbraw/zinc/39/09/07/170390907.db2.gz UOXDOKUUNNXERX-UHFFFAOYSA-N -1 0 273.292 2.253 40 0 CEABRM CCOC(=O)CCc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000020153760 171037588 /nfs/dbraw/zinc/03/75/88/171037588.db2.gz CULBJNYXHAKGSS-ZDUSSCGKSA-N -1 0 274.320 2.369 40 0 CEABRM COc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000020274748 171131598 /nfs/dbraw/zinc/13/15/98/171131598.db2.gz SZXSDIMANABPHH-UHFFFAOYSA-N -1 0 287.271 2.351 40 0 CEABRM CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000020481066 171221603 /nfs/dbraw/zinc/22/16/03/171221603.db2.gz CWRCPUJCLXNYLV-ZDUSSCGKSA-N -1 0 279.336 2.084 40 0 CEABRM COc1ccc(-c2ncc(C(=O)[O-])c(C)n2)cc1OC ZINC000022124129 171353790 /nfs/dbraw/zinc/35/37/90/171353790.db2.gz ZZMYMWHUYVZDDV-UHFFFAOYSA-N -1 0 274.276 2.167 40 0 CEABRM C[C@H](CO)CCC[C@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000031159068 171632572 /nfs/dbraw/zinc/63/25/72/171632572.db2.gz ISHXRANDGDVGJS-BONVTDFDSA-N -1 0 282.336 2.097 40 0 biogenic,in-vitro CEABRM CO[C@H]([C@@H](C)C(=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000034360853 171837594 /nfs/dbraw/zinc/83/75/94/171837594.db2.gz LNEHHTWYEBGHBY-OUAUKWLOSA-N -1 0 287.356 2.122 40 0 CEABRM CC(C)(C)OC(=O)N1CCc2cc(C(=O)[O-])cnc21 ZINC000091303784 278413909 /nfs/dbraw/zinc/41/39/09/278413909.db2.gz VMWJNFYEPYTLDZ-UHFFFAOYSA-N -1 0 264.281 2.077 40 0 CEABRM C[C@H]1Cc2cccc3cc(/C=C/C(=O)[O-])c(=O)n1c23 ZINC000036625060 300545624 /nfs/dbraw/zinc/54/56/24/300545624.db2.gz LURDXSJYEIHHKR-CYNONHLPSA-N -1 0 255.273 2.216 40 0 CEABRM Cc1cc2nn(-c3ccc(C(=O)[O-])cc3)nc2cc1N ZINC000020156634 301464390 /nfs/dbraw/zinc/46/43/90/301464390.db2.gz NTXSWKSKQCKUAS-UHFFFAOYSA-N -1 0 268.276 2.009 40 0 CEABRM Cc1oc2ncnc(N3CCC[C@H](C(=O)[O-])C3)c2c1C ZINC000021779111 302874757 /nfs/dbraw/zinc/87/47/57/302874757.db2.gz ADTUWZVHYFYSTC-JTQLQIEISA-N -1 0 275.308 2.141 40 0 CEABRM Cn1cc(C(=O)c2ccccc2)cc1/C=C\C(=O)[O-] ZINC000033369670 302910075 /nfs/dbraw/zinc/91/00/75/302910075.db2.gz UNTMSWHXFUXDFN-FPLPWBNLSA-N -1 0 255.273 2.354 40 0 CEABRM Cc1c(F)cc(CC(=O)[O-])cc1I ZINC000169796685 570281081 /nfs/dbraw/zinc/28/10/81/570281081.db2.gz UACXPZWLFOOYDH-UHFFFAOYSA-N -1 0 294.063 2.366 40 0 CEABRM Cn1nc(OCC2CCC2)c2ccc(C(=O)[O-])cc21 ZINC000225772165 230399726 /nfs/dbraw/zinc/39/97/26/230399726.db2.gz JCEBXPOELYJMPV-UHFFFAOYSA-N -1 0 260.293 2.450 40 0 CEABRM O=C([O-])CCc1nc(Cc2ccc(Cl)cc2)no1 ZINC000034937993 361797657 /nfs/dbraw/zinc/79/76/57/361797657.db2.gz XNCCDWSVPCMSOU-UHFFFAOYSA-N -1 0 266.684 2.331 40 0 CEABRM CN(C)c1ccc(C(=O)[O-])cc1I ZINC000039951740 361990274 /nfs/dbraw/zinc/99/02/74/361990274.db2.gz SIBQOMKKIJDSDW-UHFFFAOYSA-N -1 0 291.088 2.055 40 0 CEABRM CCNc1ccc(C(=O)[O-])cc1I ZINC000039951742 361990437 /nfs/dbraw/zinc/99/04/37/361990437.db2.gz NJUTXGGMXIKLOJ-UHFFFAOYSA-N -1 0 291.088 2.421 40 0 CEABRM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)o1 ZINC000006034179 343355118 /nfs/dbraw/zinc/35/51/18/343355118.db2.gz SAJZMWXITHRMDZ-LCYFTJDESA-N -1 0 268.272 2.049 40 0 CEABRM CCSc1ncc(C(=O)[O-])c(N2CCCCC2)n1 ZINC000049469205 362365917 /nfs/dbraw/zinc/36/59/17/362365917.db2.gz OFSHWYZQFCSVQM-UHFFFAOYSA-N -1 0 267.354 2.277 40 0 CEABRM O=C([O-])c1ccc(Br)c(OCC2CC2)n1 ZINC000150145814 344416318 /nfs/dbraw/zinc/41/63/18/344416318.db2.gz QPEGUWFJPMYQQT-UHFFFAOYSA-N -1 0 272.098 2.331 40 0 CEABRM O=C([O-])CCN1CCOc2ccc(Cl)cc2C1 ZINC000215149436 344533895 /nfs/dbraw/zinc/53/38/95/344533895.db2.gz RIYWTNBGAJIPCB-UHFFFAOYSA-N -1 0 255.701 2.009 40 0 CEABRM CCN(CC)c1nn(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000256046335 344646920 /nfs/dbraw/zinc/64/69/20/344646920.db2.gz FIJYOICSZRWULU-UHFFFAOYSA-N -1 0 294.742 2.465 40 0 CEABRM C[C@H](SCC(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000409439854 344889409 /nfs/dbraw/zinc/88/94/09/344889409.db2.gz JEABWQYKTPKNAC-ZETCQYMHSA-N -1 0 264.306 2.214 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1c1ccncc1 ZINC000409443844 344890088 /nfs/dbraw/zinc/89/00/88/344890088.db2.gz VGCVBGJLICKXSN-VXGBXAGGSA-N -1 0 292.335 2.464 40 0 CEABRM Nc1cc(S(=O)(=O)[O-])ccc1Oc1ccccc1 ZINC000059054222 362646087 /nfs/dbraw/zinc/64/60/87/362646087.db2.gz QNYWPSVGLQPXIZ-UHFFFAOYSA-N -1 0 265.290 2.308 40 0 CEABRM O=C([O-])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002577453 169812664 /nfs/dbraw/zinc/81/26/64/169812664.db2.gz VNCNCAUMHGXGGZ-GFCCVEGCSA-N -1 0 263.293 2.262 40 0 CEABRM COc1ccc(Cl)c2sc(N(C)CC(=O)[O-])nc21 ZINC000074934194 363423655 /nfs/dbraw/zinc/42/36/55/363423655.db2.gz MFPUEGSEEWWAGA-UHFFFAOYSA-N -1 0 286.740 2.479 40 0 CEABRM COc1ccc(O[C@@H](C)C(=O)[O-])c2c1ccccc2=O ZINC000001617852 361212907 /nfs/dbraw/zinc/21/29/07/361212907.db2.gz KEMGBYCHTLGPRT-VIFPVBQESA-N -1 0 274.272 2.061 40 0 CEABRM CCCCCCc1cc(S(=O)(=O)[O-])c(O)cc1O ZINC000001685898 361217334 /nfs/dbraw/zinc/21/73/34/361217334.db2.gz YVERZAZYTFUQAG-UHFFFAOYSA-N -1 0 274.338 2.467 40 0 CEABRM Nc1ccc2c(c1)Cc1cc(S(=O)(=O)[O-])ccc1-2 ZINC000001726007 361219938 /nfs/dbraw/zinc/21/99/38/361219938.db2.gz UKAMOELNFNCDGM-UHFFFAOYSA-N -1 0 261.302 2.087 40 0 CEABRM Cc1nnc(NC(=O)c2ccc(C)cc2C(=O)[O-])s1 ZINC000004594112 361323109 /nfs/dbraw/zinc/32/31/09/361323109.db2.gz LKANWXZKOLMNHB-UHFFFAOYSA-N -1 0 277.305 2.105 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557171 363770360 /nfs/dbraw/zinc/77/03/60/363770360.db2.gz GNGVCLGQCJEPOE-JTQLQIEISA-N -1 0 283.246 2.261 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)c2c(Cl)cc(Cl)cc2N1 ZINC000013455117 361427466 /nfs/dbraw/zinc/42/74/66/361427466.db2.gz SJRYDRWHNWQNOU-ZETCQYMHSA-N -1 0 260.076 2.445 40 0 CEABRM O=C(Nc1ccccc1F)c1snc2c1[n-]cnc2=O ZINC000013564131 361431450 /nfs/dbraw/zinc/43/14/50/361431450.db2.gz YZYLALDWARRUBO-UHFFFAOYSA-N -1 0 290.279 2.183 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2cccc(C)c2)c1=O ZINC000016768656 361498497 /nfs/dbraw/zinc/49/84/97/361498497.db2.gz OGXPDGFZPHBPIG-UHFFFAOYSA-N -1 0 257.289 2.363 40 0 CEABRM O=C([O-])[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016923619 361499654 /nfs/dbraw/zinc/49/96/54/361499654.db2.gz AHQBPPMVUWDQEU-CYBMUJFWSA-N -1 0 276.313 2.286 40 0 CEABRM CC(C)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)[O-] ZINC000019504738 361539998 /nfs/dbraw/zinc/53/99/98/361539998.db2.gz YSLIBPDAYUDWOP-OQHXTRMZSA-N -1 0 265.284 2.064 40 0 CEABRM CCNC(=S)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000216929126 189707203 /nfs/dbraw/zinc/70/72/03/189707203.db2.gz RMSMTDLFVNAVAX-VMPITWQZSA-N -1 0 250.323 2.091 40 0 CEABRM COc1cccc(C(=O)[O-])c1CNC(=O)C(C)(C)C ZINC000169490029 367368962 /nfs/dbraw/zinc/36/89/62/367368962.db2.gz UVTVKPWFZSFNSH-UHFFFAOYSA-N -1 0 265.309 2.056 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000226588281 304155378 /nfs/dbraw/zinc/15/53/78/304155378.db2.gz IOFJUNNZKGARLU-LQKXBSAESA-N -1 0 297.354 2.489 40 0 CEABRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000217396371 370194800 /nfs/dbraw/zinc/19/48/00/370194800.db2.gz KRVJYLZEWFYRQJ-UHFFFAOYSA-N -1 0 283.740 2.239 40 0 CEABRM CC(C)c1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1 ZINC000217389054 370195637 /nfs/dbraw/zinc/19/56/37/370195637.db2.gz ZXSBWBZVUOPKAK-UHFFFAOYSA-N -1 0 272.304 2.187 40 0 CEABRM C[C@H](C(=O)[O-])N(C)c1cccc(Br)c1 ZINC000224989149 370283707 /nfs/dbraw/zinc/28/37/07/370283707.db2.gz MCMOQEYOGBIGGQ-SSDOTTSWSA-N -1 0 258.115 2.358 40 0 CEABRM CCO[C@H](Cc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000225121761 370285648 /nfs/dbraw/zinc/28/56/48/370285648.db2.gz IMZUYEBNULTEFI-LLVKDONJSA-N -1 0 258.701 2.381 40 0 CEABRM COc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c(F)c1 ZINC000234949842 370550960 /nfs/dbraw/zinc/55/09/60/370550960.db2.gz ZGFJGKFVPONGKP-ZANVPECISA-N -1 0 295.310 2.160 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CC(F)(F)C1 ZINC000409428874 375524365 /nfs/dbraw/zinc/52/43/65/375524365.db2.gz BEYXDNVWKXTSEO-ZETCQYMHSA-N -1 0 265.256 2.010 40 0 CEABRM O=C([O-])c1ccccc1CNCc1ccn(C(F)F)n1 ZINC000256051881 190003961 /nfs/dbraw/zinc/00/39/61/190003961.db2.gz KWNRBYCJVDENHC-UHFFFAOYSA-N -1 0 281.262 2.266 40 0 CEABRM O=C([O-])c1ccccc1-c1ccc(CN2CC(O)C2)cc1 ZINC000257275537 190024612 /nfs/dbraw/zinc/02/46/12/190024612.db2.gz NPUQURXNZPZNHX-UHFFFAOYSA-N -1 0 283.327 2.228 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCc2ccccc21 ZINC000004184631 304211033 /nfs/dbraw/zinc/21/10/33/304211033.db2.gz SAHFHPVONYLTHW-DHMWGJHJSA-N -1 0 283.327 2.099 40 0 CEABRM CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CCC(=O)[O-] ZINC000299803601 379144254 /nfs/dbraw/zinc/14/42/54/379144254.db2.gz FBXFSASBSCSCPW-MNOVXSKESA-N -1 0 289.372 2.296 40 0 CEABRM O=C([O-])c1ccc2c(Br)ccc(O)c2n1 ZINC000026460632 304251495 /nfs/dbraw/zinc/25/14/95/304251495.db2.gz LYEHGCFKWMOAOQ-UHFFFAOYSA-N -1 0 268.066 2.401 40 0 CEABRM O=C([O-])c1ccccc1S(=O)(=O)c1ccccc1 ZINC000001579113 304271485 /nfs/dbraw/zinc/27/14/85/304271485.db2.gz KTSLUOKXJWWOJR-UHFFFAOYSA-N -1 0 262.286 2.218 40 0 CEABRM O=C([O-])[C@H]1CCCCN1c1nc2cccnc2s1 ZINC000409428131 256746515 /nfs/dbraw/zinc/74/65/15/256746515.db2.gz LYUPTLYJEJSNHM-SECBINFHSA-N -1 0 263.322 2.135 40 0 CEABRM O=C([O-])c1ccc(NC(=O)c2cccnc2Cl)c(O)c1 ZINC000220260700 394460869 /nfs/dbraw/zinc/46/08/69/394460869.db2.gz HASFFSNBNOXHNJ-UHFFFAOYSA-N -1 0 292.678 2.391 40 0 CEABRM CC(C)Cn1nc([C@@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000072209273 394592417 /nfs/dbraw/zinc/59/24/17/394592417.db2.gz BTPCWMFEEXURIG-SNVBAGLBSA-N -1 0 274.320 2.241 40 0 CEABRM O=C([O-])c1cc(C(F)(F)F)nn1Cc1ccncc1 ZINC000255190837 394579791 /nfs/dbraw/zinc/57/97/91/394579791.db2.gz ZVWGEMOTPBCMRH-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM Cc1noc([C@@H](C)NC(=O)c2ccccc2)c1C(=O)[O-] ZINC000096297009 394679212 /nfs/dbraw/zinc/67/92/12/394679212.db2.gz JHFCNQGVFBWMAD-SECBINFHSA-N -1 0 274.276 2.172 40 0 biogenic,in-vitro CEABRM O=C([O-])COCc1nc(-c2cccs2)cs1 ZINC000096528222 394697080 /nfs/dbraw/zinc/69/70/80/394697080.db2.gz OEOAUTBFUZXOHA-UHFFFAOYSA-N -1 0 255.320 2.473 40 0 CEABRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000004970415 170047032 /nfs/dbraw/zinc/04/70/32/170047032.db2.gz DPYOKZNNRLYYNJ-UHFFFAOYSA-N -1 0 292.360 2.453 40 0 CEABRM CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)[O-] ZINC000005454553 170100495 /nfs/dbraw/zinc/10/04/95/170100495.db2.gz WYSWPXYFHDNPOF-GFCCVEGCSA-N -1 0 299.754 2.334 40 0 CEABRM O=C([O-])c1cnn(Cc2cc(Br)cs2)c1 ZINC000043687885 175094992 /nfs/dbraw/zinc/09/49/92/175094992.db2.gz HBDQYGJPYIVNES-UHFFFAOYSA-N -1 0 287.138 2.454 40 0 CEABRM Cc1ccc(S(=O)(=O)n2cccc2/C=C/C(=O)[O-])cc1 ZINC000044201153 175153973 /nfs/dbraw/zinc/15/39/73/175153973.db2.gz XLPFXQWYCNBVMM-RMKNXTFCSA-N -1 0 291.328 2.131 40 0 CEABRM CC(C)(C)c1cc(N)n(-c2cccc(C(=O)[O-])c2)n1 ZINC000072226114 176343350 /nfs/dbraw/zinc/34/33/50/176343350.db2.gz LIUJJVCUIDFKSW-UHFFFAOYSA-N -1 0 259.309 2.450 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@H]2C(=O)[O-])C1 ZINC000306145488 278393568 /nfs/dbraw/zinc/39/35/68/278393568.db2.gz GQGNNAJDLFBKIP-QMTHXVAHSA-N -1 0 269.341 2.498 40 0 CEABRM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C(F)(F)F ZINC000225754811 333182394 /nfs/dbraw/zinc/18/23/94/333182394.db2.gz HTWYRHWSBFSGNX-BQBZGAKWSA-N -1 0 283.246 2.401 40 0 CEABRM Cc1cccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)c1 ZINC000036635187 361849251 /nfs/dbraw/zinc/84/92/51/361849251.db2.gz JGMVNYWDXDMTIL-VIFPVBQESA-N -1 0 265.290 2.038 40 0 CEABRM O=C([O-])C1CCC(Nc2cccc(CCO)c2)CC1 ZINC000142695607 344403875 /nfs/dbraw/zinc/40/38/75/344403875.db2.gz JVHLRCIMYBHAQN-UHFFFAOYSA-N -1 0 263.337 2.277 40 0 CEABRM O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1Br ZINC000144520753 344408003 /nfs/dbraw/zinc/40/80/03/344408003.db2.gz NDYQJOUGAVQEQR-DAFODLJHSA-N -1 0 272.054 2.455 40 0 CEABRM COC(=O)[C@H](C)n1[n-]c(-c2ccsc2)cc1=O ZINC000409437281 344889070 /nfs/dbraw/zinc/88/90/70/344889070.db2.gz FPRSEVKFMVSFEZ-ZETCQYMHSA-N -1 0 252.295 2.051 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1c1ccccn1 ZINC000409442990 344890099 /nfs/dbraw/zinc/89/00/99/344890099.db2.gz FGEVYVVXQRCVKS-CMPLNLGQSA-N -1 0 292.335 2.464 40 0 CEABRM Cc1ccc(OCc2ncc(C(=O)[O-])cn2)c(C)c1 ZINC000058042346 362606105 /nfs/dbraw/zinc/60/61/05/362606105.db2.gz SRKVKIRQUFWVNS-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM CCOc1ccc(-c2csc(N)n2)cc1C(=O)[O-] ZINC000085397491 179049807 /nfs/dbraw/zinc/04/98/07/179049807.db2.gz NCQZHDFRZTYBCE-UHFFFAOYSA-N -1 0 264.306 2.489 40 0 CEABRM CC(C)Oc1cccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c1 ZINC000085394610 179048955 /nfs/dbraw/zinc/04/89/55/179048955.db2.gz CROGODDINCRNBN-YPMHNXCESA-N -1 0 264.277 2.163 40 0 CEABRM CCOC(=O)C(C)=C([O-])c1ccc(OCC)cc1 ZINC000085396802 179050178 /nfs/dbraw/zinc/05/01/78/179050178.db2.gz RMDQMJXHXQZNOQ-JTQLQIEISA-N -1 0 250.294 2.467 40 0 CEABRM O=C(Nc1ccccc1)C1=C([O-])CN(c2ccccc2)C1=O ZINC000217438812 304007811 /nfs/dbraw/zinc/00/78/11/304007811.db2.gz SPNZOIZMTMZMAN-UHFFFAOYSA-N -1 0 294.310 2.484 40 0 CEABRM O=C([O-])[C@@H]1C[C@@H](F)CN(C(=O)OCc2ccccc2)C1 ZINC000116185628 186698751 /nfs/dbraw/zinc/69/87/51/186698751.db2.gz QGRPPKXRMWZVMA-VXGBXAGGSA-N -1 0 281.283 2.068 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2cc(C)cc(C)c2)C1 ZINC000685937314 540319099 /nfs/dbraw/zinc/31/90/99/540319099.db2.gz OQKZNMCRSJOYAO-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM O=C([O-])CS[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392109 363594556 /nfs/dbraw/zinc/59/45/56/363594556.db2.gz VSRGCGSISNYAGA-GFCCVEGCSA-N -1 0 295.360 2.215 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1cccc2c1-c1ccccc1C2=O ZINC000001681546 361217601 /nfs/dbraw/zinc/21/76/01/361217601.db2.gz MTJNOPNRCBONSQ-CMDGGOBGSA-N -1 0 293.278 2.477 40 0 in-vitro CEABRM C/C(=C/c1cc(Cl)ccc1OCC(=O)[O-])[N+](=O)[O-] ZINC000001865571 361223636 /nfs/dbraw/zinc/22/36/36/361223636.db2.gz XTBZIKBZNSUCBI-DAXSKMNVSA-N -1 0 271.656 2.441 40 0 CEABRM C=CC(=O)OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000002525458 361238117 /nfs/dbraw/zinc/23/81/17/361238117.db2.gz ZBWYHNHRVUSVNU-UHFFFAOYSA-N -1 0 264.277 2.273 40 0 CEABRM CCOc1ccc(CC(=O)[O-])cc1Br ZINC000003750792 361289705 /nfs/dbraw/zinc/28/97/05/361289705.db2.gz JTAXFPLSLBPYOP-UHFFFAOYSA-N -1 0 259.099 2.475 40 0 CEABRM Cc1cc(C)n2c(=O)c(Cc3ccccc3)c([O-])nc2n1 ZINC000017008514 361501979 /nfs/dbraw/zinc/50/19/79/361501979.db2.gz SYFSWQGBPSWWJB-UHFFFAOYSA-N -1 0 281.315 2.003 40 0 CEABRM COCc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000026547515 361643125 /nfs/dbraw/zinc/64/31/25/361643125.db2.gz BNCYIJPIDZRAMY-UHFFFAOYSA-N -1 0 296.348 2.239 40 0 CEABRM C[C@@H]1C[C@@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2C(=O)[O-])O1 ZINC000242547884 297314007 /nfs/dbraw/zinc/31/40/07/297314007.db2.gz KXKZVTQSNMTKIP-NXRLNHOXSA-N -1 0 252.232 2.453 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCCc1ccccc1 ZINC000169300104 367367583 /nfs/dbraw/zinc/36/75/83/367367583.db2.gz IKFYJFIRVYEOFG-XUWVNRHRSA-N -1 0 299.370 2.258 40 0 CEABRM O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccs1 ZINC000006727738 304134053 /nfs/dbraw/zinc/13/40/53/304134053.db2.gz PTWRDEGOIZXKJB-JTQLQIEISA-N -1 0 295.360 2.334 40 0 CEABRM COc1ccc(-c2nocc2C(=O)[O-])c(OC)c1OC ZINC000226099640 370329291 /nfs/dbraw/zinc/32/92/91/370329291.db2.gz BEGAGGPHCJLBOD-UHFFFAOYSA-N -1 0 279.248 2.066 40 0 CEABRM C[C@H](CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C)C(=O)[O-] ZINC000248274600 371172980 /nfs/dbraw/zinc/17/29/80/371172980.db2.gz RMMAAUYRERZOAK-OGMFBOKVSA-N -1 0 272.385 2.426 40 0 biogenic,in-vitro CEABRM Cc1cn(CC(=O)[O-])nc1NCc1ccc(F)s1 ZINC000256054954 190005371 /nfs/dbraw/zinc/00/53/71/190005371.db2.gz YMCBDPALUHZVDR-UHFFFAOYSA-N -1 0 269.301 2.089 40 0 CEABRM O=C([O-])[C@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001591472 304214149 /nfs/dbraw/zinc/21/41/49/304214149.db2.gz HQCMVKMWULKIRR-PBHICJAKSA-N -1 0 281.311 2.427 40 0 in-vitro CEABRM O=C([O-])c1n[nH]nc1Nc1ccc(Br)cc1 ZINC000044787409 304216574 /nfs/dbraw/zinc/21/65/74/304216574.db2.gz LKVPJRWSJMYNPQ-UHFFFAOYSA-N -1 0 283.085 2.009 40 0 CEABRM O=C([O-])c1cn(-c2ccccc2Br)cn1 ZINC000050225921 304274048 /nfs/dbraw/zinc/27/40/48/304274048.db2.gz MEBSCXWLVOHDOS-UHFFFAOYSA-N -1 0 267.082 2.333 40 0 CEABRM CCCCCn1c(=O)c(CC(=O)[O-])c(C)[nH]c1=S ZINC000020156403 256784227 /nfs/dbraw/zinc/78/42/27/256784227.db2.gz BPUZFNKXPSVIGM-UHFFFAOYSA-N -1 0 270.354 2.032 40 0 CEABRM C/C(=C\C(=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208152 394592187 /nfs/dbraw/zinc/59/21/87/394592187.db2.gz OAEGOFRGBQEDBQ-DDXVTDLHSA-N -1 0 255.314 2.417 40 0 CEABRM C[C@H]1CCc2nn(Cc3ccc(C(=O)[O-])cc3)c(=O)cc2C1 ZINC000096516131 394694069 /nfs/dbraw/zinc/69/40/69/394694069.db2.gz RKKJAURVODWMKH-NSHDSACASA-N -1 0 298.342 2.115 40 0 CEABRM Cc1nc(-c2ccccc2)cc(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000096516897 394694093 /nfs/dbraw/zinc/69/40/93/394694093.db2.gz MTPQMHOVQISLMO-ZDUSSCGKSA-N -1 0 283.331 2.363 40 0 CEABRM CCC(=C([O-])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096518035 394695110 /nfs/dbraw/zinc/69/51/10/394695110.db2.gz HPECESRBQTWGIR-JTQLQIEISA-N -1 0 260.742 2.346 40 0 CEABRM O=C([O-])[C@H]1C[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000116992934 394758257 /nfs/dbraw/zinc/75/82/57/394758257.db2.gz FFFCOGICKMRJSG-IUCAKERBSA-N -1 0 269.094 2.353 40 0 CEABRM O=C([O-])[C@@H]1CCCCN1c1nc2cccnc2s1 ZINC000409428153 395304317 /nfs/dbraw/zinc/30/43/17/395304317.db2.gz LYUPTLYJEJSNHM-VIFPVBQESA-N -1 0 263.322 2.135 40 0 CEABRM O=C(/C=C\c1ccco1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000035419721 400108773 /nfs/dbraw/zinc/10/87/73/400108773.db2.gz QSMRHXUZHXEHBK-QIAWRQBBSA-N -1 0 285.299 2.105 40 0 CEABRM CCCCOC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000005080530 170065128 /nfs/dbraw/zinc/06/51/28/170065128.db2.gz NGZXLZGYCKXIOB-HJWRWDBZSA-N -1 0 291.303 2.223 40 0 CEABRM CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)[O-] ZINC000005414809 170096489 /nfs/dbraw/zinc/09/64/89/170096489.db2.gz SFHXCPHAIRXKDN-QWRGUYRKSA-N -1 0 255.358 2.382 40 0 biogenic,in-vitro CEABRM COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-] ZINC000013452178 170551037 /nfs/dbraw/zinc/55/10/37/170551037.db2.gz ZOXKNVCXIKCYPF-DJBIQUGXSA-N -1 0 287.315 2.157 40 0 CEABRM O=C([O-])[C@H]1CC(c2ccc(Br)cc2)=NO1 ZINC000020594114 171263511 /nfs/dbraw/zinc/26/35/11/171263511.db2.gz MJNHEEPMKFZLMK-SECBINFHSA-N -1 0 270.082 2.027 40 0 CEABRM CCOc1cc2ncc(C(=O)[O-])c(O)c2cc1OCC ZINC000035731158 172381651 /nfs/dbraw/zinc/38/16/51/172381651.db2.gz QBEWWAUPZBMOJA-UHFFFAOYSA-N -1 0 277.276 2.024 40 0 CEABRM Cc1sc(/C=C/c2cc3n(n2)CCC3)nc1C(=O)[O-] ZINC000656613942 415788606 /nfs/dbraw/zinc/78/86/06/415788606.db2.gz SZEYJIOVZRBHAP-SNAWJCMRSA-N -1 0 275.333 2.463 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000090635754 278418515 /nfs/dbraw/zinc/41/85/15/278418515.db2.gz SFBZDQKMJLUZQF-KXUCPTDWSA-N -1 0 255.314 2.107 40 0 CEABRM CC1(C)Cc2occc2[C@H](NC(=O)CCC(=O)[O-])C1 ZINC000005126473 281376726 /nfs/dbraw/zinc/37/67/26/281376726.db2.gz BSNOOAGXUYFBJW-SNVBAGLBSA-N -1 0 265.309 2.274 40 0 CEABRM CN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000409189401 289849838 /nfs/dbraw/zinc/84/98/38/289849838.db2.gz GFJIADZSAROITC-XBXARRHUSA-N -1 0 287.102 2.222 40 0 CEABRM COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC000085393384 295228741 /nfs/dbraw/zinc/22/87/41/295228741.db2.gz KKRFAEDYDKXRIR-CPCISQLKSA-N -1 0 270.668 2.037 40 0 CEABRM Cc1cc(=NC(=O)N2CCC(F)(F)[C@H](C)C2)[n-]nc1C ZINC000335810896 301043009 /nfs/dbraw/zinc/04/30/09/301043009.db2.gz FMTAAUAZAKLPTD-SECBINFHSA-N -1 0 284.310 2.024 40 0 CEABRM Cc1cc(=O)n2[n-]c([C@H]3CCCN3C(=O)C(C)C)cc2n1 ZINC000100226102 301371528 /nfs/dbraw/zinc/37/15/28/301371528.db2.gz SNTVKVDOQZYGIO-GFCCVEGCSA-N -1 0 288.351 2.063 40 0 CEABRM C[C@H](C(=O)[O-])c1ccccc1I ZINC000114309381 329110313 /nfs/dbraw/zinc/11/03/13/329110313.db2.gz OFUOBAZZBYMDPG-LURJTMIESA-N -1 0 276.073 2.479 40 0 CEABRM CCCc1nn2c([n-]1)nc(-c1ccccc1C)cc2=O ZINC000016991421 528756408 /nfs/dbraw/zinc/75/64/08/528756408.db2.gz AMQAEUSDCUDHPZ-UHFFFAOYSA-N -1 0 268.320 2.346 40 0 CEABRM CC(C)(C)c1cc(CCS(=O)(=O)[O-])ccc1O ZINC000498049505 807352332 /nfs/dbraw/zinc/35/23/32/807352332.db2.gz YXFGHTLNZGHBKW-UHFFFAOYSA-N -1 0 258.339 2.120 40 0 CEABRM CCCCn1nc(-c2ccccc2)cc(C(=O)[O-])c1=O ZINC000082462306 178039251 /nfs/dbraw/zinc/03/92/51/178039251.db2.gz NIZBBPGNYKEOLA-UHFFFAOYSA-N -1 0 272.304 2.409 40 0 CEABRM CC(C)c1ccc(COn2cccc(C(=O)[O-])c2=O)cc1 ZINC000041670649 362046669 /nfs/dbraw/zinc/04/66/69/362046669.db2.gz INETTXCIPUGXLK-UHFFFAOYSA-N -1 0 287.315 2.299 40 0 CEABRM CCc1nnc(S/C(=C\c2cccnc2)C(=O)[O-])o1 ZINC000007364446 343358990 /nfs/dbraw/zinc/35/89/90/343358990.db2.gz PRKPNEJECKKBHB-TWGQIWQCSA-N -1 0 277.305 2.245 40 0 CEABRM O=C([O-])c1ccc(COC(=O)c2cccnc2)cc1 ZINC000010042510 343363804 /nfs/dbraw/zinc/36/38/04/343363804.db2.gz XJCKSIHCYONFOP-UHFFFAOYSA-N -1 0 257.245 2.137 40 0 CEABRM O=C([O-])c1cc(F)c(I)cc1F ZINC000034629671 343420768 /nfs/dbraw/zinc/42/07/68/343420768.db2.gz JFCOIEWOMPAZDV-UHFFFAOYSA-N -1 0 283.999 2.268 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000049466709 362364397 /nfs/dbraw/zinc/36/43/97/362364397.db2.gz IFJRKZCHMSSLGN-ZBINZKHDSA-N -1 0 291.347 2.468 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)[O-])CC(F)(F)C1 ZINC000148220543 344413163 /nfs/dbraw/zinc/41/31/63/344413163.db2.gz CDVFIGFKFSWZQV-JGVFFNPUSA-N -1 0 279.283 2.400 40 0 CEABRM CSc1nc(C)cc(-c2ccc(C(=O)[O-])o2)n1 ZINC000085392450 179048522 /nfs/dbraw/zinc/04/85/22/179048522.db2.gz LEIPLZHBDXFGRS-UHFFFAOYSA-N -1 0 250.279 2.465 40 0 CEABRM COc1ccc(OC)c(-n2nc(C)c(CC(=O)[O-])c2C)c1 ZINC000085398083 179050772 /nfs/dbraw/zinc/05/07/72/179050772.db2.gz LOKPJTFZDUSGIG-UHFFFAOYSA-N -1 0 290.319 2.133 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000100925683 185730755 /nfs/dbraw/zinc/73/07/55/185730755.db2.gz XJQBGWKOMFMYOM-XXHBBNRNSA-N -1 0 293.269 2.426 40 0 CEABRM Cc1cc(C(=O)[O-])c(=O)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000089263266 179762812 /nfs/dbraw/zinc/76/28/12/179762812.db2.gz OXANAOBGBDENTD-UHFFFAOYSA-N -1 0 298.220 2.258 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](O)CC(=O)[O-] ZINC000075629687 363479529 /nfs/dbraw/zinc/47/95/29/363479529.db2.gz GDZQCMQJVJLGRE-DGCLKSJQSA-N -1 0 295.335 2.088 40 0 CEABRM COC(=O)[C@@H](CC(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000001708528 361218922 /nfs/dbraw/zinc/21/89/22/361218922.db2.gz SIEYAZMHRJHSEX-SKDRFNHKSA-N -1 0 266.293 2.063 40 0 CEABRM CCCC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-] ZINC000001995994 361224549 /nfs/dbraw/zinc/22/45/49/361224549.db2.gz DYSKXPITKBYXQB-GFCCVEGCSA-N -1 0 287.319 2.003 40 0 CEABRM CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccc(O)cc1 ZINC000004130139 361301781 /nfs/dbraw/zinc/30/17/81/361301781.db2.gz PNVDIHJRGBPVKE-MRVPVSSYSA-N -1 0 293.348 2.236 40 0 CEABRM Cc1nccc2c3ccccc3n(S(=O)(=O)[O-])c21 ZINC000006348552 361336503 /nfs/dbraw/zinc/33/65/03/361336503.db2.gz IXOYCLIZRLFAQO-UHFFFAOYSA-N -1 0 262.290 2.149 40 0 CEABRM O=C(Nc1cccc(F)c1)c1snc2c1[n-]cnc2=O ZINC000013564129 361430945 /nfs/dbraw/zinc/43/09/45/361430945.db2.gz TWQXVEOEQFUQOH-UHFFFAOYSA-N -1 0 290.279 2.183 40 0 CEABRM CNc1nc(C)cc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000019798032 361555265 /nfs/dbraw/zinc/55/52/65/361555265.db2.gz QPUWRTJBSGAHGI-UHFFFAOYSA-N -1 0 258.281 2.269 40 0 CEABRM CC(C)(C)OC(=O)n1[n-]cc2c(F)cc(=O)cc1-2 ZINC000100351276 364544767 /nfs/dbraw/zinc/54/47/67/364544767.db2.gz TXKLILQCIKCPIE-UHFFFAOYSA-N -1 0 252.245 2.204 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000222434677 189731398 /nfs/dbraw/zinc/73/13/98/189731398.db2.gz NEISDTGMCMNXAJ-FZKCQIBNSA-N -1 0 299.370 2.258 40 0 CEABRM O=C([O-])COc1ccc2c(c1)CCC(=O)N2CC1CCC1 ZINC000218791897 370212842 /nfs/dbraw/zinc/21/28/42/370212842.db2.gz LADNFIYGLPZACG-UHFFFAOYSA-N -1 0 289.331 2.229 40 0 CEABRM CCn1c2cc(C)ccc2cc(CCC(=O)[O-])c1=O ZINC000217605593 370197910 /nfs/dbraw/zinc/19/79/10/370197910.db2.gz ZCXKPATXBLHYFY-UHFFFAOYSA-N -1 0 259.305 2.347 40 0 CEABRM CO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)[O-] ZINC000217809111 370201549 /nfs/dbraw/zinc/20/15/49/370201549.db2.gz IPDYDSCYHHDDKL-NSHDSACASA-N -1 0 274.194 2.452 40 0 CEABRM CCc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)[O-] ZINC000238852636 189901058 /nfs/dbraw/zinc/90/10/58/189901058.db2.gz GRLZUEBUGQSOIZ-ZCFIWIBFSA-N -1 0 250.220 2.185 40 0 CEABRM O=C([O-])c1cc2c(cc1Br)OCCCO2 ZINC000004656312 304228506 /nfs/dbraw/zinc/22/85/06/304228506.db2.gz VOGWBWXJOWEAFT-UHFFFAOYSA-N -1 0 273.082 2.309 40 0 CEABRM Cc1c(C)c2c(c(C)c1O)S[C@@H](CC(=O)[O-])C(=O)O2 ZINC000002033613 394452431 /nfs/dbraw/zinc/45/24/31/394452431.db2.gz SCGUJVPDOBJCCU-QMMMGPOBSA-N -1 0 282.317 2.172 40 0 CEABRM O=C([O-])CCOc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000218786581 394457004 /nfs/dbraw/zinc/45/70/04/394457004.db2.gz YTMPOMCATGOIEU-UHFFFAOYSA-N -1 0 289.331 2.229 40 0 CEABRM O=C(CC1(C(=O)[O-])CCCCCCC1)NC1CC1 ZINC000072209746 394592006 /nfs/dbraw/zinc/59/20/06/394592006.db2.gz IGZQGRCXIDSJAC-UHFFFAOYSA-N -1 0 253.342 2.470 40 0 CEABRM COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004794904 170018611 /nfs/dbraw/zinc/01/86/11/170018611.db2.gz RVWGVVNUECLEFH-OAACRXHESA-N -1 0 287.315 2.157 40 0 CEABRM CCn1c(SCC(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000005677418 170127319 /nfs/dbraw/zinc/12/73/19/170127319.db2.gz AGKXADRTUZIXQI-UHFFFAOYSA-O -1 0 298.775 2.214 40 0 CEABRM C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC000008534823 170339018 /nfs/dbraw/zinc/33/90/18/170339018.db2.gz LLKLFLAXPSJKLM-RXMQYKEDSA-N -1 0 284.724 2.142 40 0 CEABRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)CC2(CCCC2)C1=O ZINC000035185379 172039468 /nfs/dbraw/zinc/03/94/68/172039468.db2.gz WNQAAVMBPFBLKZ-CYBMUJFWSA-N -1 0 287.315 2.132 40 0 CEABRM O=C([O-])c1ccc(Cn2ccnc2)n1Cc1ccccc1 ZINC000078404715 177338511 /nfs/dbraw/zinc/33/85/11/177338511.db2.gz FANDFQSMXNLTOA-UHFFFAOYSA-N -1 0 281.315 2.479 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000101291234 287595003 /nfs/dbraw/zinc/59/50/03/287595003.db2.gz LBTSSENZJINNDI-JKOKRWQUSA-N -1 0 261.321 2.459 40 0 CEABRM COc1c(F)c(I)ccc1C(=O)[O-] ZINC000098210737 294902246 /nfs/dbraw/zinc/90/22/46/294902246.db2.gz NIFMHHUMQUYLNY-UHFFFAOYSA-N -1 0 296.035 2.137 40 0 CEABRM COc1ccc2nc(C3=N[C@@H](C(=O)[O-])CS3)sc2c1 ZINC000000057389 295279779 /nfs/dbraw/zinc/27/97/79/295279779.db2.gz ZTQKCGHSTKIWFW-MRVPVSSYSA-N -1 0 294.357 2.252 40 0 CEABRM Cc1cc(C)n2cc(COc3ccc(C(=O)[O-])cc3)nc2n1 ZINC000008462122 301161232 /nfs/dbraw/zinc/16/12/32/301161232.db2.gz QFJYWYWHUPIHOM-UHFFFAOYSA-O -1 0 298.322 2.042 40 0 CEABRM Cc1cc2c(c(=O)n1CCC(=O)[O-])C=C[C@H](C(C)C)O2 ZINC000257339309 301436028 /nfs/dbraw/zinc/43/60/28/301436028.db2.gz ZBESSRPFSCQGEP-GFCCVEGCSA-N -1 0 277.320 2.062 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000225754760 333182376 /nfs/dbraw/zinc/18/23/76/333182376.db2.gz HTWYRHWSBFSGNX-NKWVEPMBSA-N -1 0 283.246 2.401 40 0 CEABRM Cc1ccc([C@@H]2CC(=O)NC(C)=C2C(=O)[O-])c(C)c1 ZINC000044563680 362155661 /nfs/dbraw/zinc/15/56/61/362155661.db2.gz NRKQBAJOXJHZNM-LBPRGKRZSA-N -1 0 259.305 2.266 40 0 CEABRM [NH3+][C@H](CC(=O)[O-])c1cc(Cl)c([O-])c(Cl)c1 ZINC000044217115 362150654 /nfs/dbraw/zinc/15/06/54/362150654.db2.gz UNLQAZZQNCPHHP-SSDOTTSWSA-N -1 0 250.081 2.174 40 0 CEABRM CCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000032253570 343411823 /nfs/dbraw/zinc/41/18/23/343411823.db2.gz NULBABKESBZWMW-UHFFFAOYSA-N -1 0 296.120 2.467 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2[C@H](C[C@H]1C(=O)[O-])[C@@H]2C(F)(F)F ZINC000043642226 343465728 /nfs/dbraw/zinc/46/57/28/343465728.db2.gz AYEFRRLUMIYRFX-VGRMVHKJSA-N -1 0 295.257 2.257 40 0 CEABRM CC(C)[C@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000083593310 344078762 /nfs/dbraw/zinc/07/87/62/344078762.db2.gz RYEFCGYTOBTQNU-LBPRGKRZSA-N -1 0 265.309 2.270 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc(C(=O)[O-])n[nH]1 ZINC000096516149 344240416 /nfs/dbraw/zinc/24/04/16/344240416.db2.gz MICLLKYJPNEEIK-SNVBAGLBSA-N -1 0 281.312 2.180 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000049466705 362364564 /nfs/dbraw/zinc/36/45/64/362364564.db2.gz IFJRKZCHMSSLGN-YVLXSGLVSA-N -1 0 291.347 2.468 40 0 CEABRM O=C([O-])Cc1csc(COc2ccccc2F)n1 ZINC000049858798 362381160 /nfs/dbraw/zinc/38/11/60/362381160.db2.gz MVSZUEKPUOJQHM-UHFFFAOYSA-N -1 0 267.281 2.488 40 0 CEABRM COc1cc(C(=O)[O-])ccc1OCC1CCOCC1 ZINC000052171029 362467856 /nfs/dbraw/zinc/46/78/56/362467856.db2.gz ULZHHJWKDWDJSH-UHFFFAOYSA-N -1 0 266.293 2.199 40 0 CEABRM O=C([O-])c1cnc(COc2cccc(Cl)c2)nc1 ZINC000058042416 362605871 /nfs/dbraw/zinc/60/58/71/362605871.db2.gz XBJRHDUUJVUSHH-UHFFFAOYSA-N -1 0 264.668 2.407 40 0 CEABRM COc1c(F)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000066331918 362861592 /nfs/dbraw/zinc/86/15/92/362861592.db2.gz BZHFSDYKFLNPST-UHFFFAOYSA-N -1 0 277.251 2.182 40 0 CEABRM COn1c(-c2ccc(Cl)cc2)nc(C)c1C(=O)[O-] ZINC000575410835 366281627 /nfs/dbraw/zinc/28/16/27/366281627.db2.gz FVQYCHWHCHTHCI-UHFFFAOYSA-N -1 0 266.684 2.269 40 0 CEABRM Cc1ccccc1NC(=O)[C@H](C)[N-]C(=O)C(F)(F)F ZINC000408720747 538776762 /nfs/dbraw/zinc/77/67/62/538776762.db2.gz YDVBYIIEYZRQPT-QMMMGPOBSA-N -1 0 274.242 2.001 40 0 CEABRM O=C([O-])CCc1ccc2[nH]c(Br)nc2c1 ZINC000217773165 540413222 /nfs/dbraw/zinc/41/32/22/540413222.db2.gz FNYRVFOGSUNECW-UHFFFAOYSA-N -1 0 269.098 2.343 40 0 CEABRM O=C([O-])Cn1ccc(=O)c2cc(C(F)(F)F)ccc21 ZINC000040175533 304091299 /nfs/dbraw/zinc/09/12/99/304091299.db2.gz OPUYGZWFAOQEHF-UHFFFAOYSA-N -1 0 271.194 2.105 40 0 CEABRM O=C([O-])c1cccc(NC[C@H](O)COc2ccccc2)c1 ZINC000003191940 361266893 /nfs/dbraw/zinc/26/68/93/361266893.db2.gz ILXYRPCTTMZMSL-AWEZNQCLSA-N -1 0 287.315 2.237 40 0 CEABRM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000004560030 361322188 /nfs/dbraw/zinc/32/21/88/361322188.db2.gz XKDPYFLXGSXHSW-NWDGAFQWSA-N -1 0 281.283 2.034 40 0 CEABRM C[S@@](=O)c1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000006483070 361336609 /nfs/dbraw/zinc/33/66/09/361336609.db2.gz ZNCDFZLBNYSJKX-INIZCTEOSA-N -1 0 252.213 2.141 40 0 CEABRM CCc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1 ZINC000013119552 361419683 /nfs/dbraw/zinc/41/96/83/361419683.db2.gz URSPNXKDALRRBJ-DGAVXFQQSA-N -1 0 289.331 2.066 40 0 CEABRM CCCN1C(=O)S[C@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000016740534 361497277 /nfs/dbraw/zinc/49/72/77/361497277.db2.gz PXFXUBCJCHCROP-JTQLQIEISA-N -1 0 294.332 2.228 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2 ZINC000031778477 361718973 /nfs/dbraw/zinc/71/89/73/361718973.db2.gz FTKIFEVGBKEJPV-QWPQOLDESA-N -1 0 295.294 2.328 40 0 CEABRM O=C([O-])Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O ZINC000217389382 370195323 /nfs/dbraw/zinc/19/53/23/370195323.db2.gz GEVQQESHEWOHDK-UHFFFAOYSA-N -1 0 298.220 2.083 40 0 CEABRM CC[C@H](C(=O)[O-])N(CC)c1cc(OC)ccc1OC ZINC000225000936 370284328 /nfs/dbraw/zinc/28/43/28/370284328.db2.gz YLMITDSBOPATFR-LLVKDONJSA-N -1 0 267.325 2.393 40 0 CEABRM COC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC000225625502 370308311 /nfs/dbraw/zinc/30/83/11/370308311.db2.gz UOLMMDJQBSMETH-UHFFFAOYSA-N -1 0 293.319 2.048 40 0 CEABRM CCCOC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000225726596 370315024 /nfs/dbraw/zinc/31/50/24/370315024.db2.gz PKCXMWQQCFIFQA-UHFFFAOYSA-N -1 0 295.335 2.294 40 0 CEABRM O=C([O-])CCCn1cc(Br)c(C(F)F)n1 ZINC000408716311 375516332 /nfs/dbraw/zinc/51/63/32/375516332.db2.gz LHLJBWZVSOODMD-UHFFFAOYSA-N -1 0 283.072 2.448 40 0 CEABRM O=C([O-])CCn1ccc(NCc2ccc(F)s2)n1 ZINC000256053996 190005009 /nfs/dbraw/zinc/00/50/09/190005009.db2.gz UNLJAYCRRDAEKE-UHFFFAOYSA-N -1 0 269.301 2.171 40 0 CEABRM CC(C)n1ccc(CNCc2ccccc2C(=O)[O-])n1 ZINC000256051259 190003629 /nfs/dbraw/zinc/00/36/29/190003629.db2.gz ILBHPNSCPOGVTN-UHFFFAOYSA-N -1 0 273.336 2.452 40 0 CEABRM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000005043036 296337832 /nfs/dbraw/zinc/33/78/32/296337832.db2.gz JJEIOIDRCVNOLC-WCQYUDONSA-N -1 0 279.380 2.428 40 0 CEABRM O=C([O-])CCc1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716595 256723643 /nfs/dbraw/zinc/72/36/43/256723643.db2.gz YEJVENPGCNFSEN-UHFFFAOYSA-N -1 0 272.260 2.020 40 0 CEABRM O=C([O-])c1nnc2sc(-c3ccc(Cl)cc3)nn21 ZINC000057339002 304285033 /nfs/dbraw/zinc/28/50/33/304285033.db2.gz WKCDZQQWORVLKI-UHFFFAOYSA-N -1 0 280.696 2.204 40 0 CEABRM O=S(=O)([O-])O[C@@H]1CCCC[C@@H]1Nc1ccccc1 ZINC000001711762 169748154 /nfs/dbraw/zinc/74/81/54/169748154.db2.gz OWOGFSMTAPRCJP-NWDGAFQWSA-N -1 0 271.338 2.229 40 0 CEABRM CC(=O)N/C(=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000005186237 170075095 /nfs/dbraw/zinc/07/50/95/170075095.db2.gz HVLNJIRMSFAIEV-POHAHGRESA-N -1 0 273.210 2.267 40 0 in-vitro CEABRM O=C([O-])C[C@@H](c1ccccc1)[C@@]1(O)OC(=O)c2ccccc21 ZINC000005901918 170152421 /nfs/dbraw/zinc/15/24/21/170152421.db2.gz ICXMPDPXOXESRP-YOEHRIQHSA-N -1 0 298.294 2.261 40 0 CEABRM CC[C@@H](Oc1ccc(OC)c2ccccc(=O)c12)C(=O)[O-] ZINC000006002660 170167059 /nfs/dbraw/zinc/16/70/59/170167059.db2.gz FOSKEUOTQUACNL-GFCCVEGCSA-N -1 0 288.299 2.451 40 0 CEABRM COc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000006699621 170228672 /nfs/dbraw/zinc/22/86/72/170228672.db2.gz YOSJNPWFOUPEQP-QOBDMFJFSA-N -1 0 289.331 2.381 40 0 CEABRM Cc1cccc(-n2c(=O)c(CC(=O)[O-])c(C)[nH]c2=S)c1 ZINC000020156368 171039313 /nfs/dbraw/zinc/03/93/13/171039313.db2.gz BLDONTSJLNCFMA-UHFFFAOYSA-N -1 0 290.344 2.139 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000031629120 171641039 /nfs/dbraw/zinc/64/10/39/171641039.db2.gz HMCWJDHEDIGUQT-FPLPWBNLSA-N -1 0 293.278 2.477 40 0 CEABRM CCCOc1ccccc1/C=C/C(=O)N[C@@H](C)C(=O)[O-] ZINC000033440841 171801366 /nfs/dbraw/zinc/80/13/66/171801366.db2.gz RAEYFRHMZXUKOL-FBOQAHMBSA-N -1 0 277.320 2.078 40 0 CEABRM O=C([O-])CCc1cc2cc(Cl)ccc2oc1=O ZINC000072226547 176343322 /nfs/dbraw/zinc/34/33/22/176343322.db2.gz HRNSNZRWDFTTNM-UHFFFAOYSA-N -1 0 252.653 2.464 40 0 CEABRM O=C([O-])[C@H]1CC[C@H](c2nc3ccccc3c(=O)[nH]2)S1 ZINC000256055052 419470528 /nfs/dbraw/zinc/47/05/28/419470528.db2.gz YXWWBLAOLZKHRL-NXEZZACHSA-N -1 0 276.317 2.357 40 0 CEABRM Nc1ncc(C(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000095618486 185015893 /nfs/dbraw/zinc/01/58/93/185015893.db2.gz SXNOYEXOXMPFSE-UHFFFAOYSA-N -1 0 284.102 2.302 40 0 CEABRM CC(C)Cn1nc(-c2ccccc2)cc(C(=O)[O-])c1=O ZINC000082462875 178038864 /nfs/dbraw/zinc/03/88/64/178038864.db2.gz FAQAXRRQVHWFOB-UHFFFAOYSA-N -1 0 272.304 2.265 40 0 CEABRM Cc1ccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)c(C)c1 ZINC000036635193 361849015 /nfs/dbraw/zinc/84/90/15/361849015.db2.gz IDFBNVMZXOXIAL-JTQLQIEISA-N -1 0 279.317 2.347 40 0 CEABRM N=c1[n-]nc(-c2nn(CC(F)(F)F)cc2Cl)s1 ZINC000408717731 539289136 /nfs/dbraw/zinc/28/91/36/539289136.db2.gz QOHDVHAVLVOMGW-UHFFFAOYSA-N -1 0 283.666 2.030 40 0 CEABRM CC(C)(C)[C@@]([NH3+])(C[C@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-] ZINC000138901470 344391319 /nfs/dbraw/zinc/39/13/19/344391319.db2.gz ZAVGJXRCZREIRJ-BLLLJJGKSA-N -1 0 293.363 2.148 40 0 CEABRM COc1c(C)c2c(c(O)c1CC[C@H](C)C(=O)[O-])C(=O)OC2 ZINC000210468338 344531138 /nfs/dbraw/zinc/53/11/38/344531138.db2.gz QMNZQJIPOGEXDT-ZETCQYMHSA-N -1 0 294.303 2.033 40 0 biogenic,in-vitro CEABRM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])[C@@H]1C2 ZINC000225505409 344545841 /nfs/dbraw/zinc/54/58/41/344545841.db2.gz MGNFVKFCNXYOMU-UTINFBMNSA-N -1 0 255.314 2.010 40 0 CEABRM CCCNc1nn(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000256047652 344647111 /nfs/dbraw/zinc/64/71/11/344647111.db2.gz NUACWRMGDRAGLO-UHFFFAOYSA-N -1 0 260.297 2.096 40 0 CEABRM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCCC3)o2)N1 ZINC000059138010 362646956 /nfs/dbraw/zinc/64/69/56/362646956.db2.gz QHVIXTKQNVEESY-CSKARUKUSA-N -1 0 261.281 2.291 40 0 CEABRM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000110689126 186312702 /nfs/dbraw/zinc/31/27/02/186312702.db2.gz MEGIXCJSFSFWGV-YUELXQCFSA-N -1 0 287.359 2.422 40 0 CEABRM O=C([O-])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000071255895 304027089 /nfs/dbraw/zinc/02/70/89/304027089.db2.gz NHWKKBCMZVSSGC-UHFFFAOYSA-N -1 0 267.590 2.382 40 0 CEABRM CCOC(=O)c1[n-]c2ccc(OC)cc2c(=O)c1Cl ZINC000685937324 540319390 /nfs/dbraw/zinc/31/93/90/540319390.db2.gz NLXRAVQGUQHHCH-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM O=C([N-]OCc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000001101499 361198146 /nfs/dbraw/zinc/19/81/46/361198146.db2.gz ZTMUMRSDBMXKKX-OAHLLOKOSA-N -1 0 285.299 2.074 40 0 CEABRM CC(C)C[C@H](NC(=O)COc1ccccc1Cl)C(=O)[O-] ZINC000001668561 361215345 /nfs/dbraw/zinc/21/53/45/361215345.db2.gz METJAOPBLWNAAJ-NSHDSACASA-N -1 0 299.754 2.334 40 0 CEABRM CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2cccnc2)C1 ZINC000004165028 361303130 /nfs/dbraw/zinc/30/31/30/361303130.db2.gz BPTDYORIUWSERV-KGYLQXTDSA-N -1 0 274.320 2.323 40 0 CEABRM CCn1nc(C(F)(F)F)cc1CSCC(=O)[O-] ZINC000012398832 361382387 /nfs/dbraw/zinc/38/23/87/361382387.db2.gz GUXMWWUGZXIUFW-UHFFFAOYSA-N -1 0 268.260 2.240 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2ccccc2C)c1=O ZINC000016769176 361498516 /nfs/dbraw/zinc/49/85/16/361498516.db2.gz GAWZSZUENHUHTN-UHFFFAOYSA-N -1 0 257.289 2.363 40 0 CEABRM NC1=NC(=O)C(Nc2ccc(Cl)c(Cl)c2)C([O-])=N1 ZINC000016991696 361500884 /nfs/dbraw/zinc/50/08/84/361500884.db2.gz HJTNLPPBCGFHOC-UHFFFAOYSA-N -1 0 287.106 2.108 40 0 CEABRM O=C([N-][C@H]1c2ccccc2C(=O)C1(F)F)C(F)(F)F ZINC000199570503 370149206 /nfs/dbraw/zinc/14/92/06/370149206.db2.gz HVRKFKCJHQMVBU-ZETCQYMHSA-N -1 0 279.164 2.238 40 0 CEABRM CC1(C)[C@H](O)[C@]2(Br)CC[C@@]1(CC(=O)[O-])C2 ZINC000216528815 370188450 /nfs/dbraw/zinc/18/84/50/370188450.db2.gz MGHLAZREQORMKV-GDPRMGEGSA-N -1 0 277.158 2.166 40 0 CEABRM Cc1ccc(-c2nc(SCCC(=O)[O-])n[nH]2)cc1 ZINC000224972882 370284015 /nfs/dbraw/zinc/28/40/15/370284015.db2.gz AAKUNVIJHUXZQU-UHFFFAOYSA-N -1 0 263.322 2.347 40 0 CEABRM COc1ccc(C[C@H](OC(C)C)C(=O)[O-])c(OC)c1 ZINC000225113916 370285625 /nfs/dbraw/zinc/28/56/25/370285625.db2.gz XEFFUTXPNXUOAS-ZDUSSCGKSA-N -1 0 268.309 2.125 40 0 CEABRM CC[C@@H](C)N(C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2)[C@@H](C)CC ZINC000225729828 370314959 /nfs/dbraw/zinc/31/49/59/370314959.db2.gz MFIHHRMTOMCTDO-IIEFLBBWSA-N -1 0 297.395 2.290 40 0 CEABRM O=C([O-])c1cccc(NC(=O)CN2Cc3ccccc3C2)c1 ZINC000409207640 375520472 /nfs/dbraw/zinc/52/04/72/375520472.db2.gz ZGEGYWDPVHECRU-UHFFFAOYSA-N -1 0 296.326 2.339 40 0 CEABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCCCCC1 ZINC000006730007 304212301 /nfs/dbraw/zinc/21/23/01/304212301.db2.gz BDXZQZCHVGCKDL-VOAKCMCISA-N -1 0 265.353 2.136 40 0 CEABRM C[C@@H]1CCC[C@@H](C)N1C(=O)[N-]C(=O)C(F)(F)F ZINC000001470926 296425307 /nfs/dbraw/zinc/42/53/07/296425307.db2.gz ZHKJXSSAMZHLBW-RNFRBKRXSA-N -1 0 252.236 2.048 40 0 CEABRM COc1sc(C(=O)[O-])c(OC)c1Br ZINC000039294936 256726094 /nfs/dbraw/zinc/72/60/94/256726094.db2.gz WGYAOSNLHPVCGH-UHFFFAOYSA-N -1 0 267.100 2.226 40 0 CEABRM COc1cccc(-c2cc(C(=O)[O-])n3ncc(C)c3n2)c1 ZINC000095098672 184944866 /nfs/dbraw/zinc/94/48/66/184944866.db2.gz MURYUCDCCFPBRG-UHFFFAOYSA-N -1 0 283.287 2.412 40 0 CEABRM CCCn1c2ccccc2n2c(SCC(=O)[O-])nnc12 ZINC000218826605 130770802 /nfs/dbraw/zinc/77/08/02/130770802.db2.gz NDXNHUHKKPQIEZ-UHFFFAOYSA-N -1 0 290.348 2.271 40 0 CEABRM C[C@@H](C(=O)[O-])N(C)c1cccc(Br)c1 ZINC000224989116 130806164 /nfs/dbraw/zinc/80/61/64/130806164.db2.gz MCMOQEYOGBIGGQ-ZETCQYMHSA-N -1 0 258.115 2.358 40 0 CEABRM C[C@@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000004172248 394455645 /nfs/dbraw/zinc/45/56/45/394455645.db2.gz QOWWSEMCPLUMAE-ZKAWZIJESA-N -1 0 297.310 2.086 40 0 CEABRM CC(C)(C)c1ccc(/C=C/C(=O)NCC(=O)[O-])cc1 ZINC000033439490 394492146 /nfs/dbraw/zinc/49/21/46/394492146.db2.gz LXHAWHCHUOJCES-RMKNXTFCSA-N -1 0 261.321 2.198 40 0 CEABRM COc1cc2oc(=O)c(C(=O)[O-])cc2cc1Br ZINC000072219783 394594336 /nfs/dbraw/zinc/59/43/36/394594336.db2.gz SJMCEDFBJFYVPN-UHFFFAOYSA-N -1 0 299.076 2.262 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@@H]1/C=C/C(=O)[O-] ZINC000072207963 394591286 /nfs/dbraw/zinc/59/12/86/394591286.db2.gz UMFBQPDBPIDPNK-QROSGCPLSA-N -1 0 255.314 2.417 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@H]1/C=C/C(=O)[O-] ZINC000072207964 394592230 /nfs/dbraw/zinc/59/22/30/394592230.db2.gz UMFBQPDBPIDPNK-JARNTUPDSA-N -1 0 255.314 2.417 40 0 CEABRM Cc1noc([C@@H](C)NC(=O)C2CCCCC2)c1C(=O)[O-] ZINC000096297011 394679166 /nfs/dbraw/zinc/67/91/66/394679166.db2.gz JIFWFQNGOWTNOW-SECBINFHSA-N -1 0 280.324 2.439 40 0 biogenic,in-vitro CEABRM Cc1nn2c(c1C(=O)[O-])N[C@H](c1cccc(F)c1)C2 ZINC000096530345 394698104 /nfs/dbraw/zinc/69/81/04/394698104.db2.gz WXRIOSYPHWMTOI-JTQLQIEISA-N -1 0 261.256 2.196 40 0 CEABRM COc1ccc([C@@H]2Cn3nc(C)c(C(=O)[O-])c3N2)cc1 ZINC000096530341 394698307 /nfs/dbraw/zinc/69/83/07/394698307.db2.gz GRFLFXQNNSNZMP-NSHDSACASA-N -1 0 273.292 2.065 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@H](c1ccc(C)cc1)C2 ZINC000096530351 394698485 /nfs/dbraw/zinc/69/84/85/394698485.db2.gz UHACGJHXBUDECG-NSHDSACASA-N -1 0 257.293 2.365 40 0 CEABRM COc1ccc2c(c1O)C(=O)[C@H](CCC(=O)[O-])CC2 ZINC000005812976 170142429 /nfs/dbraw/zinc/14/24/29/170142429.db2.gz MYIQXOWJCMLNAK-VIFPVBQESA-N -1 0 264.277 2.011 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1cccs1 ZINC000006742089 170237748 /nfs/dbraw/zinc/23/77/48/170237748.db2.gz KKUJJZNCMMEUQQ-DNIRFERGSA-N -1 0 291.372 2.277 40 0 CEABRM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2)cc1O ZINC000020138111 171025075 /nfs/dbraw/zinc/02/50/75/171025075.db2.gz DEKNACRVSNMXMF-UHFFFAOYSA-N -1 0 275.235 2.482 40 0 CEABRM O=C([O-])c1ccc(COc2ccc(CO)cc2)cc1 ZINC000040414880 174255621 /nfs/dbraw/zinc/25/56/21/174255621.db2.gz HXTWJDBWSRWXPB-UHFFFAOYSA-N -1 0 258.273 2.456 40 0 CEABRM CC[C@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000044612074 175217208 /nfs/dbraw/zinc/21/72/08/175217208.db2.gz RBBWNFMGMZSNSC-LLVKDONJSA-N -1 0 251.282 2.118 40 0 CEABRM CCc1cc(C(=O)[O-])n(Cc2ccc(C(=O)OC)o2)c1 ZINC000078405069 177338550 /nfs/dbraw/zinc/33/85/50/177338550.db2.gz LXZOINAJUDORLO-UHFFFAOYSA-N -1 0 277.276 2.177 40 0 CEABRM CCOc1ccc2ccccc2c1/C=C1/NC(=O)[N-]C1=O ZINC000409047067 276497833 /nfs/dbraw/zinc/49/78/33/276497833.db2.gz MNZAPHCWSONAAK-UKTHLTGXSA-N -1 0 282.299 2.419 40 0 CEABRM CC(C)CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466501 278864817 /nfs/dbraw/zinc/86/48/17/278864817.db2.gz DJDWDFNEKUILHT-JSGCOSHPSA-N -1 0 261.321 2.317 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2ccccc2Cl)NC(=O)N1 ZINC000044563658 281655927 /nfs/dbraw/zinc/65/59/27/281655927.db2.gz WBDVGRQVHRNGHV-SNVBAGLBSA-N -1 0 266.684 2.053 40 0 CEABRM CN(C)[C@@H](OCCCC(=O)[O-])C(Cl)(Cl)Cl ZINC000002031756 289289577 /nfs/dbraw/zinc/28/95/77/289289577.db2.gz ANQBXBOZQNFSLW-ZETCQYMHSA-N -1 0 278.563 2.126 40 0 CEABRM Nc1cc(C(F)(F)F)c(S(=O)(=O)[O-])cc1Cl ZINC000057327586 303493701 /nfs/dbraw/zinc/49/37/01/303493701.db2.gz YFIRIVQPZYKJOR-UHFFFAOYSA-N -1 0 275.635 2.188 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1C(F)(F)F ZINC000225754786 333182442 /nfs/dbraw/zinc/18/24/42/333182442.db2.gz HTWYRHWSBFSGNX-RQJHMYQMSA-N -1 0 283.246 2.401 40 0 CEABRM CC(=O)CC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000097940094 526395817 /nfs/dbraw/zinc/39/58/17/526395817.db2.gz BJYCSAJMDYEUTR-UHFFFAOYSA-N -1 0 258.277 2.048 40 0 CEABRM O=C([O-])C[C@H]1CNC(=O)c2cc(-c3ccccc3F)cn21 ZINC000032918542 361765961 /nfs/dbraw/zinc/76/59/61/361765961.db2.gz KCZKCLXJUDGXTQ-JTQLQIEISA-N -1 0 288.278 2.053 40 0 CEABRM CCS(=O)(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000034776350 361794281 /nfs/dbraw/zinc/79/42/81/361794281.db2.gz MNHRBBMIJHTFTN-UHFFFAOYSA-N -1 0 285.346 2.361 40 0 CEABRM O=C([O-])[C@H]1Cc2c(Cl)cc(Cl)cc2C(=O)O1 ZINC000125198794 187174412 /nfs/dbraw/zinc/17/44/12/187174412.db2.gz WLHFPVXASOVTDT-MRVPVSSYSA-N -1 0 261.060 2.160 40 0 CEABRM Nc1cc(Cl)ccc1N1CCC(C(=O)[O-])CC1 ZINC000256054238 539185854 /nfs/dbraw/zinc/18/58/54/539185854.db2.gz VNTJWAMYMCADNF-UHFFFAOYSA-N -1 0 254.717 2.223 40 0 CEABRM Cc1c(-c2n[n-]c(=N)s2)cnn1CCC(F)(F)F ZINC000408717863 539289141 /nfs/dbraw/zinc/28/91/41/539289141.db2.gz YFUFCCBNVBHVSS-UHFFFAOYSA-N -1 0 277.275 2.075 40 0 CEABRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2O)c(C)n1C ZINC000008051968 343360922 /nfs/dbraw/zinc/36/09/22/343360922.db2.gz YTXIULFKOOBZLE-UHFFFAOYSA-N -1 0 288.303 2.298 40 0 CEABRM O=C([O-])[C@@H](CC1CC1)NC(=O)OCc1ccccc1 ZINC000069554042 343788678 /nfs/dbraw/zinc/78/86/78/343788678.db2.gz NCRLSXDXLQPBEU-GFCCVEGCSA-N -1 0 263.293 2.166 40 0 CEABRM CC(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000049335871 362354440 /nfs/dbraw/zinc/35/44/40/362354440.db2.gz MSVWNHHGLRSYCE-UHFFFAOYSA-N -1 0 262.265 2.470 40 0 CEABRM CCCNc1nn(-c2cccc(C)c2)nc1C(=O)[O-] ZINC000256048938 344647102 /nfs/dbraw/zinc/64/71/02/344647102.db2.gz XEPMMEJCJQYEHQ-UHFFFAOYSA-N -1 0 260.297 2.096 40 0 CEABRM O=C([O-])c1nn(-c2ccccc2F)nc1N1CCCCC1 ZINC000256047868 344647117 /nfs/dbraw/zinc/64/71/17/344647117.db2.gz PDXPQJGOOMOFRX-UHFFFAOYSA-N -1 0 290.298 2.095 40 0 CEABRM O=C([O-])[C@H]1CC(=O)[C@H](c2ccccc2OC(F)F)C1 ZINC000057328302 362577853 /nfs/dbraw/zinc/57/78/53/362577853.db2.gz LYWKYIFGEGQUSN-APPZFPTMSA-N -1 0 270.231 2.435 40 0 CEABRM C[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1 ZINC000107066348 186158415 /nfs/dbraw/zinc/15/84/15/186158415.db2.gz UFNCPBWXZSABQU-KLLKFSIISA-N -1 0 285.343 2.387 40 0 CEABRM O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)cc2)c1=O ZINC000020156336 304087799 /nfs/dbraw/zinc/08/77/99/304087799.db2.gz XVVHUTSNSHILCB-UHFFFAOYSA-N -1 0 296.735 2.176 40 0 CEABRM O=S(=O)([O-])[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000001668613 361215189 /nfs/dbraw/zinc/21/51/89/361215189.db2.gz NVZMMQLYQHEQES-AWEZNQCLSA-N -1 0 278.329 2.025 40 0 CEABRM Nc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1Cl ZINC000002574873 361241177 /nfs/dbraw/zinc/24/11/77/361241177.db2.gz WCLJWSMKOJRMJN-UHFFFAOYSA-N -1 0 272.091 2.460 40 0 CEABRM CCCCN(CCCC)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000006398618 361336876 /nfs/dbraw/zinc/33/68/76/361336876.db2.gz DEORFXSAFNFIFY-RQJABVFESA-N -1 0 297.395 2.293 40 0 CEABRM O=C([O-])c1ccccc1OCC(=O)NC1CCCCC1 ZINC000013080212 361418452 /nfs/dbraw/zinc/41/84/52/361418452.db2.gz RKEZSHDOSXQGRN-UHFFFAOYSA-N -1 0 277.320 2.213 40 0 CEABRM CCc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1 ZINC000013119553 361419609 /nfs/dbraw/zinc/41/96/09/361419609.db2.gz URSPNXKDALRRBJ-CRWXNKLISA-N -1 0 289.331 2.066 40 0 CEABRM O=C(/C=C/c1ccco1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000019440299 361536009 /nfs/dbraw/zinc/53/60/09/361536009.db2.gz QSMRHXUZHXEHBK-MYSGNRETSA-N -1 0 285.299 2.105 40 0 CEABRM CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000019392616 361530004 /nfs/dbraw/zinc/53/00/04/361530004.db2.gz DVAFPMXSECRDKJ-ZDUSSCGKSA-N -1 0 277.320 2.165 40 0 CEABRM CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000019402055 361530992 /nfs/dbraw/zinc/53/09/92/361530992.db2.gz VASIMLBFYYWHDR-SNVBAGLBSA-N -1 0 287.262 2.127 40 0 CEABRM O=c1[n-]c(-c2cccnc2)ncc1Br ZINC000084198880 363802051 /nfs/dbraw/zinc/80/20/51/363802051.db2.gz VMMSWKDIWYSHOU-UHFFFAOYSA-N -1 0 252.071 2.007 40 0 CEABRM COC(=O)c1ccc(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000095097304 364340551 /nfs/dbraw/zinc/34/05/51/364340551.db2.gz WKHDRAOLYCGDTI-UHFFFAOYSA-N -1 0 275.235 2.373 40 0 CEABRM CCc1c(C)nc2cc(C3CCOCC3)[n-]n2c1=O ZINC000100226864 364542491 /nfs/dbraw/zinc/54/24/91/364542491.db2.gz GAMVHNAPZIXYAH-UHFFFAOYSA-N -1 0 261.325 2.200 40 0 CEABRM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[O-])cn1 ZINC000114903063 364971343 /nfs/dbraw/zinc/97/13/43/364971343.db2.gz OXQVDWZWFHQQLU-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccco2)N1 ZINC000003153899 304151105 /nfs/dbraw/zinc/15/11/05/304151105.db2.gz ZAOCCYZFRAVVGT-SWLSCSKDSA-N -1 0 282.299 2.449 40 0 CEABRM O=C([O-])[C@H]1CC(=O)c2ccc(Br)cc21 ZINC000199564201 370149028 /nfs/dbraw/zinc/14/90/28/370149028.db2.gz XCTGQNKTJGLIAI-QMMMGPOBSA-N -1 0 255.067 2.204 40 0 CEABRM COc1ccc(/C=C2/NC(=O)[N-]C2=O)c2ccccc12 ZINC000207058576 370156965 /nfs/dbraw/zinc/15/69/65/370156965.db2.gz PJYXTKSEACYXEN-XYOKQWHBSA-N -1 0 268.272 2.029 40 0 CEABRM C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)[O-] ZINC000218675201 370211239 /nfs/dbraw/zinc/21/12/39/370211239.db2.gz QUHMZAPIYXMKCR-MRVPVSSYSA-N -1 0 266.684 2.378 40 0 CEABRM COc1cccc(OCc2ncc(C(=O)[O-])c(C)n2)c1 ZINC000217400089 370195008 /nfs/dbraw/zinc/19/50/08/370195008.db2.gz MPRIOKCKCPBEJN-UHFFFAOYSA-N -1 0 274.276 2.071 40 0 CEABRM O=C([O-])CCc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000223446581 370265937 /nfs/dbraw/zinc/26/59/37/370265937.db2.gz CJKLHGVXLHOAMI-UHFFFAOYSA-N -1 0 278.695 2.108 40 0 CEABRM CCCO[C@H](Cc1cc(OC)ccc1OC)C(=O)[O-] ZINC000225116557 370285565 /nfs/dbraw/zinc/28/55/65/370285565.db2.gz IWFYIHLWWJTGJG-CYBMUJFWSA-N -1 0 268.309 2.126 40 0 CEABRM CCCO[C@@H](Cc1cc(C)ccc1OC)C(=O)[O-] ZINC000225119143 370285594 /nfs/dbraw/zinc/28/55/94/370285594.db2.gz GNULXYLBQWFMSN-ZDUSSCGKSA-N -1 0 252.310 2.426 40 0 CEABRM COc1ccc(Cn2c(C(=O)[O-])c[nH]c2=S)cc1 ZINC000225319646 370289956 /nfs/dbraw/zinc/28/99/56/370289956.db2.gz VVKFSCKYADTQKD-UHFFFAOYSA-N -1 0 264.306 2.301 40 0 CEABRM CCOc1ccc(-c2nocc2C(=O)[O-])cc1OC ZINC000226099868 370328892 /nfs/dbraw/zinc/32/88/92/370328892.db2.gz XWMPYWJIFZYKMZ-UHFFFAOYSA-N -1 0 263.249 2.447 40 0 CEABRM O=C([O-])[C@H]1C=Nc2cc(Br)ccc2C1=O ZINC000100248379 304174488 /nfs/dbraw/zinc/17/44/88/304174488.db2.gz ONVGQVPSEWTAJK-ZETCQYMHSA-N -1 0 268.066 2.049 40 0 CEABRM [O-]c1ccc(C(=S)N2CCOCC2)cc1Cl ZINC000409236451 375520235 /nfs/dbraw/zinc/52/02/35/375520235.db2.gz GLHTWICTGDDGRR-UHFFFAOYSA-N -1 0 257.742 2.053 40 0 CEABRM O=C([O-])[C@H]1[C@@H](CO)[C@H](O)c2ccccc2[C@@H]1c1ccccc1 ZINC000004783067 304209708 /nfs/dbraw/zinc/20/97/08/304209708.db2.gz RAESRZQFJCRAIX-LTIDMASMSA-N -1 0 298.338 2.175 40 0 CEABRM CC(C)(C)c1csc(/C=C/c2cn(CC(=O)[O-])nn2)n1 ZINC000295955182 378368463 /nfs/dbraw/zinc/36/84/63/378368463.db2.gz PFJHNIAQUQRDRG-SNAWJCMRSA-N -1 0 292.364 2.287 40 0 CEABRM O=C([O-])c1conc1[C@H](O)c1ccc(Br)cc1 ZINC000504623818 304281801 /nfs/dbraw/zinc/28/18/01/304281801.db2.gz BCQPHWGGMUYPEY-SNVBAGLBSA-N -1 0 298.092 2.217 40 0 CEABRM O=C([O-])c1coc2c1[C@@H](O)C[C@@H](C(F)(F)F)C2 ZINC000085399208 304281808 /nfs/dbraw/zinc/28/18/08/304281808.db2.gz VOTQTWQZMGNCGI-XINAWCOVSA-N -1 0 250.172 2.136 40 0 CEABRM Cc1c(C(=O)[O-])oc2c1[C@H](O)C[C@H](C(F)(F)F)C2 ZINC000085399160 394643062 /nfs/dbraw/zinc/64/30/62/394643062.db2.gz QPUBEALPXBHHKG-NTSWFWBYSA-N -1 0 264.199 2.444 40 0 CEABRM O=C([O-])[C@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000096516981 394694461 /nfs/dbraw/zinc/69/44/61/394694461.db2.gz YHDCQYAPEKKETQ-NSHDSACASA-N -1 0 273.336 2.142 40 0 CEABRM O=c1[n-]n(-c2cccc(F)c2)c(=O)c(Cl)c1Cl ZINC000242548862 400315298 /nfs/dbraw/zinc/31/52/98/400315298.db2.gz LXEKMHPUKSIPEC-UHFFFAOYSA-N -1 0 275.066 2.384 40 0 CEABRM C[C@H]1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]231 ZINC000014649117 299698910 /nfs/dbraw/zinc/69/89/10/299698910.db2.gz MRLXXQBBRNRWDA-GCTGHDABSA-N -1 0 264.321 2.243 40 0 biogenic,in-vitro CEABRM COC(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000001713882 169748652 /nfs/dbraw/zinc/74/86/52/169748652.db2.gz RCMDZGKLQQNBJO-UHFFFAOYSA-N -1 0 299.282 2.424 40 0 CEABRM O=C([O-])CCc1nc(-c2cccc(Br)c2)n[nH]1 ZINC000006511588 170208711 /nfs/dbraw/zinc/20/87/11/170208711.db2.gz CCCSLSIMTKVIME-UHFFFAOYSA-N -1 0 296.124 2.251 40 0 CEABRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000007405437 170283397 /nfs/dbraw/zinc/28/33/97/170283397.db2.gz IGPQYSVRKGVMOA-UHFFFAOYSA-N -1 0 288.275 2.370 40 0 CEABRM CC[C@H](Sc1ccccc1NC(=O)COC)C(=O)[O-] ZINC000008732945 170351514 /nfs/dbraw/zinc/35/15/14/170351514.db2.gz LEQWWHLKCWCLIU-JTQLQIEISA-N -1 0 283.349 2.227 40 0 CEABRM Cc1cc(NC(=O)c2cccnc2)cc(C(=O)[O-])c1O ZINC000020143463 171029313 /nfs/dbraw/zinc/02/93/13/171029313.db2.gz KOVZASONTVDJQY-UHFFFAOYSA-N -1 0 272.260 2.046 40 0 CEABRM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000037359373 173149373 /nfs/dbraw/zinc/14/93/73/173149373.db2.gz WWDWDCKQQRBAAT-LLVKDONJSA-N -1 0 289.253 2.163 40 0 CEABRM Cc1n[nH]c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC000038580633 174148036 /nfs/dbraw/zinc/14/80/36/174148036.db2.gz IQZZZHVFXYJEPY-SECBINFHSA-N -1 0 295.339 2.141 40 0 CEABRM CCCCOC(=O)COc1cccc(C(=O)[O-])c1 ZINC000052076801 175531745 /nfs/dbraw/zinc/53/17/45/175531745.db2.gz SYEVHRHQNZKKLD-UHFFFAOYSA-N -1 0 252.266 2.107 40 0 CEABRM O=C([O-])c1noc(-c2ccccc2Br)n1 ZINC000071047828 176030419 /nfs/dbraw/zinc/03/04/19/176030419.db2.gz IECDGQMBDGFWQA-UHFFFAOYSA-N -1 0 269.054 2.197 40 0 CEABRM CC(C)(C)OC(=O)N1Cc2ccc(O)cc2C[C@H]1C(=O)[O-] ZINC000091303232 278419572 /nfs/dbraw/zinc/41/95/72/278419572.db2.gz PUGASQAAOACKPI-LBPRGKRZSA-N -1 0 293.319 2.139 40 0 CEABRM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C\C(=O)[O-])C2 ZINC000038591873 281451356 /nfs/dbraw/zinc/45/13/56/281451356.db2.gz BITUSFVRXSZURD-ZPCHZEDLSA-N -1 0 252.310 2.385 40 0 CEABRM COc1ccccc1[C@@H](OCC(=O)[O-])C(F)(F)F ZINC000095096428 295385925 /nfs/dbraw/zinc/38/59/25/295385925.db2.gz JJNVSEQXZLTZND-SNVBAGLBSA-N -1 0 264.199 2.400 40 0 CEABRM Cc1cc(C)nc(-n2[n-]c(-c3ccco3)cc2=O)n1 ZINC000008570270 301260512 /nfs/dbraw/zinc/26/05/12/301260512.db2.gz HCOYSBCQKLJPDQ-UHFFFAOYSA-N -1 0 256.265 2.245 40 0 CEABRM Cc1cnn2c1nc(C1CC1)c(Cl)c2C(=O)[O-] ZINC000095098667 302404798 /nfs/dbraw/zinc/40/47/98/302404798.db2.gz XIUZDZGTWRGIKX-UHFFFAOYSA-N -1 0 251.673 2.267 40 0 CEABRM Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)[O-] ZINC000020314234 303059444 /nfs/dbraw/zinc/05/94/44/303059444.db2.gz FLNSMYUVIAECOI-UHFFFAOYSA-N -1 0 253.261 2.334 40 0 CEABRM O=C([O-])C[C@@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000062758329 527627654 /nfs/dbraw/zinc/62/76/54/527627654.db2.gz NFJXBTRASCRJQH-RXMQYKEDSA-N -1 0 276.136 2.480 40 0 CEABRM CC(C)[C@@H](NC(=O)/C=C/c1ccccc1F)C(=O)[O-] ZINC000033439677 361779185 /nfs/dbraw/zinc/77/91/85/361779185.db2.gz JDXHKPPDKIOQJB-SBDDDAINSA-N -1 0 265.284 2.064 40 0 CEABRM C[C@H](NC(=O)/C=C/c1cccc(Br)c1)C(=O)[O-] ZINC000033449397 361781697 /nfs/dbraw/zinc/78/16/97/361781697.db2.gz WRGZPWKGZXNGCU-GJIOHYHPSA-N -1 0 298.136 2.052 40 0 CEABRM COc1ccccc1-n1nc(C(=O)[O-])cc1Cl ZINC000034288454 361788864 /nfs/dbraw/zinc/78/88/64/361788864.db2.gz NEYBEDJGHWJNMI-UHFFFAOYSA-N -1 0 252.657 2.233 40 0 CEABRM O=C([O-])c1ccc2nc(-c3ccc(F)cc3)nn2c1 ZINC000082749747 178270920 /nfs/dbraw/zinc/27/09/20/178270920.db2.gz FVGYSLUNSWRLDJ-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM CCOC(=O)CCC(C(C)=O)=C([O-])c1ccccc1 ZINC000036468693 361847053 /nfs/dbraw/zinc/84/70/53/361847053.db2.gz NVAYHJZJDIRYSJ-CYBMUJFWSA-N -1 0 262.305 2.418 40 0 CEABRM CCOC(=O)c1cc(=O)c2cccc(Cl)c2[n-]1 ZINC000142737118 539298954 /nfs/dbraw/zinc/29/89/54/539298954.db2.gz CUJABXFNWGJTPD-UHFFFAOYSA-N -1 0 251.669 2.358 40 0 CEABRM Cc1cc(C)nc([N-]c2noc(-c3ccco3)n2)n1 ZINC000008559030 343362927 /nfs/dbraw/zinc/36/29/27/343362927.db2.gz OOEVNOWZQSINAH-UHFFFAOYSA-N -1 0 257.253 2.480 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](CC(=O)[O-])CO2)C1 ZINC000110915025 344270344 /nfs/dbraw/zinc/27/03/44/344270344.db2.gz UPSVEAPCGVVPTN-XHDPSFHLSA-N -1 0 299.367 2.267 40 0 CEABRM C[C@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(=O)[O-])[C@@H]12 ZINC000225760822 344547150 /nfs/dbraw/zinc/54/71/50/344547150.db2.gz SWNTYLHTDSLQMT-OFPUPOEVSA-N -1 0 252.232 2.311 40 0 CEABRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000050213197 362410709 /nfs/dbraw/zinc/41/07/09/362410709.db2.gz VXFGJQNVJXEFJO-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM CCOC(=O)C(C)=C([O-])c1ccc(OC)c(OC)c1 ZINC000085396787 179050123 /nfs/dbraw/zinc/05/01/23/179050123.db2.gz IMVNUSXZBYABML-SECBINFHSA-N -1 0 266.293 2.086 40 0 CEABRM COc1cc(C)cc2c(OCC(=O)[O-])cc(C)nc12 ZINC000064874678 362797548 /nfs/dbraw/zinc/79/75/48/362797548.db2.gz MMQFKOMKPDWJQI-UHFFFAOYSA-N -1 0 261.277 2.324 40 0 CEABRM O=C([O-])/C=C\c1ccc(I)cc1 ZINC000020231841 304024506 /nfs/dbraw/zinc/02/45/06/304024506.db2.gz NIDLJAPEZBFHGP-UTCJRWHESA-N -1 0 274.057 2.389 40 0 CEABRM CC(=O)N[C@@H](C(=O)[O-])C(C)(C)SCc1ccccc1 ZINC000001593810 538736163 /nfs/dbraw/zinc/73/61/63/538736163.db2.gz YCXNOWANLXLFKW-LBPRGKRZSA-N -1 0 281.377 2.288 40 0 CEABRM CCOC(=O)c1cc(=O)c2cccc(Br)c2[n-]1 ZINC000205680535 542258681 /nfs/dbraw/zinc/25/86/81/542258681.db2.gz MLYOYXNPWABLGS-UHFFFAOYSA-N -1 0 296.120 2.467 40 0 CEABRM Nc1c(Cl)ncnc1Nc1ccc(C(=O)[O-])cc1 ZINC000001680070 361216516 /nfs/dbraw/zinc/21/65/16/361216516.db2.gz NPWMTNLQCYFNFQ-UHFFFAOYSA-N -1 0 264.672 2.154 40 0 CEABRM Cc1nn2c([n-]1)nc(-c1ccccc1Cl)cc2=O ZINC000010338625 361350427 /nfs/dbraw/zinc/35/04/27/361350427.db2.gz XWJRDYYPBSMNAY-UHFFFAOYSA-N -1 0 260.684 2.046 40 0 CEABRM O=c1c2c(O)cc([O-])cc2oc2c1-c1ccccc1O[C@@H]2O ZINC000013404431 361427622 /nfs/dbraw/zinc/42/76/22/361427622.db2.gz HMCJSHNAURZDNI-INIZCTEOSA-N -1 0 298.250 2.255 40 0 CEABRM Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)[n-]c(=O)c1F ZINC000019579189 361545465 /nfs/dbraw/zinc/54/54/65/361545465.db2.gz IHUOJDZGOOYKBR-NSHDSACASA-N -1 0 293.342 2.071 40 0 CEABRM Cc1oc2ncnc(N3CCC[C@@H](C(=O)[O-])C3)c2c1C ZINC000021779108 361584862 /nfs/dbraw/zinc/58/48/62/361584862.db2.gz ADTUWZVHYFYSTC-SNVBAGLBSA-N -1 0 275.308 2.141 40 0 CEABRM Cc1cc2c(O)c(C(=O)[O-])cnc2cc1-n1cccc1 ZINC000031794997 361718551 /nfs/dbraw/zinc/71/85/51/361718551.db2.gz BPCQXHZYGGLASR-UHFFFAOYSA-N -1 0 268.272 2.325 40 0 CEABRM O=C([O-])c1nn(-c2ccccc2Cl)nc1Cl ZINC000089263364 363952024 /nfs/dbraw/zinc/95/20/24/363952024.db2.gz IFUUMNJFKZBYFA-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM COc1ccc([C@@H](OCC(=O)[O-])C(F)(F)F)cc1OC ZINC000095096376 364340157 /nfs/dbraw/zinc/34/01/57/364340157.db2.gz JWRRRAIWUNKWLF-LLVKDONJSA-N -1 0 294.225 2.408 40 0 CEABRM CCc1cc(N2CCC(C(=O)[O-])CC2)nc(C2CC2)n1 ZINC000096516928 364425173 /nfs/dbraw/zinc/42/51/73/364425173.db2.gz PPLYAFXMCDMWNI-UHFFFAOYSA-N -1 0 275.352 2.217 40 0 CEABRM O=C([O-])[C@H]1C[C@H](F)CN(C(=O)OCc2ccccc2)C1 ZINC000116185636 365042170 /nfs/dbraw/zinc/04/21/70/365042170.db2.gz QGRPPKXRMWZVMA-RYUDHWBXSA-N -1 0 281.283 2.068 40 0 CEABRM O=C([N-][C@@H]1c2ccccc2C(=O)C1(F)F)C(F)(F)F ZINC000199570518 370148876 /nfs/dbraw/zinc/14/88/76/370148876.db2.gz HVRKFKCJHQMVBU-SSDOTTSWSA-N -1 0 279.164 2.238 40 0 CEABRM CCNC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000216927586 370191938 /nfs/dbraw/zinc/19/19/38/370191938.db2.gz IGFPFKBSQYIILF-UHFFFAOYSA-N -1 0 258.730 2.345 40 0 CEABRM O=C([O-])[C@@H]1[C@H]2C=C[C@H]([C@@H]3C[C@@H]32)[C@H]1C(=O)NCc1ccccc1 ZINC000217703803 370200226 /nfs/dbraw/zinc/20/02/26/370200226.db2.gz FIOSFBRBAZSKEI-HIFUNWJGSA-N -1 0 297.354 2.072 40 0 CEABRM O=C([O-])[C@@H]1[C@H](OCc2ccccc2)C(=O)N1c1ccccc1 ZINC000218311828 370208369 /nfs/dbraw/zinc/20/83/69/370208369.db2.gz OZUIZLPNXVKGMZ-GJZGRUSLSA-N -1 0 297.310 2.072 40 0 CEABRM COc1ccc(-c2nc(S[C@@H](C)C(=O)[O-])n[nH]2)cc1 ZINC000224973752 370284524 /nfs/dbraw/zinc/28/45/24/370284524.db2.gz ADTIBSVUIXNMOF-ZETCQYMHSA-N -1 0 279.321 2.046 40 0 CEABRM O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCc2ccccc21 ZINC000013153952 304160136 /nfs/dbraw/zinc/16/01/36/304160136.db2.gz SAHFHPVONYLTHW-PAPYEOQZSA-N -1 0 283.327 2.099 40 0 CEABRM O=C([O-])[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000008699035 304174003 /nfs/dbraw/zinc/17/40/03/304174003.db2.gz RSANTWYIKXJPTO-NSHDSACASA-N -1 0 289.253 2.163 40 0 CEABRM CCCCn1cc(Cl)c(-c2n[n-]c(=N)s2)n1 ZINC000408717457 375517114 /nfs/dbraw/zinc/51/71/14/375517114.db2.gz AWMRUURSRKIAMG-UHFFFAOYSA-N -1 0 257.750 2.268 40 0 CEABRM CC(=O)NCc1ncc(-c2ccccc2C(=O)[O-])s1 ZINC000257255827 190021963 /nfs/dbraw/zinc/02/19/63/190021963.db2.gz KJAMWUJYMYSHRC-UHFFFAOYSA-N -1 0 276.317 2.144 40 0 CEABRM C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C1 ZINC000169619723 297354757 /nfs/dbraw/zinc/35/47/57/297354757.db2.gz KLGMBMDYWUJPHD-WZBKEBKWSA-N -1 0 277.364 2.014 40 0 CEABRM O=C([O-])c1coc2c1[C@H](O)C[C@H](C(F)(F)F)C2 ZINC000085399212 304281896 /nfs/dbraw/zinc/28/18/96/304281896.db2.gz VOTQTWQZMGNCGI-UJURSFKZSA-N -1 0 250.172 2.136 40 0 CEABRM O=C([O-])c1nn(-c2ccc(Cl)cn2)nc1C(F)(F)F ZINC000089261901 304284449 /nfs/dbraw/zinc/28/44/49/304284449.db2.gz PTTQVJBMILYGMF-UHFFFAOYSA-N -1 0 292.604 2.033 40 0 CEABRM CC(C)(C)Oc1ncc(Br)c(C(=O)[O-])n1 ZINC000026441027 394478118 /nfs/dbraw/zinc/47/81/18/394478118.db2.gz MFQIIIVYSAHHPB-UHFFFAOYSA-N -1 0 275.102 2.115 40 0 CEABRM CCOC(=O)c1[n-]n(-c2ccc(F)cc2)c(=O)c1C ZINC000032975733 394491397 /nfs/dbraw/zinc/49/13/97/394491397.db2.gz WWZBTUBSPZORLN-UHFFFAOYSA-N -1 0 264.256 2.202 40 0 CEABRM O=C([O-])c1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000071619323 394588713 /nfs/dbraw/zinc/58/87/13/394588713.db2.gz LBJNGVILZFVSFL-UHFFFAOYSA-N -1 0 258.155 2.454 40 0 CEABRM O=C([O-])c1n[nH]c(OC2CCCC2)c1Br ZINC000096509303 394693114 /nfs/dbraw/zinc/69/31/14/394693114.db2.gz RHGTZAURYVKGHU-UHFFFAOYSA-N -1 0 275.102 2.192 40 0 CEABRM COc1cc(-n2cc(Cl)cn2)sc1C(=O)[O-] ZINC000096510925 394694058 /nfs/dbraw/zinc/69/40/58/394694058.db2.gz CDXNEGCZCVDOOK-UHFFFAOYSA-N -1 0 258.686 2.294 40 0 CEABRM COc1ccc([C@H]2Cn3nc(C)c(C(=O)[O-])c3N2)cc1 ZINC000096530339 394698001 /nfs/dbraw/zinc/69/80/01/394698001.db2.gz GRFLFXQNNSNZMP-LLVKDONJSA-N -1 0 273.292 2.065 40 0 CEABRM O=C([O-])c1cnn2c1N[C@H](c1ccc(Cl)cc1)C2 ZINC000096530309 394698412 /nfs/dbraw/zinc/69/84/12/394698412.db2.gz VEFMLWSXMYZZRM-JTQLQIEISA-N -1 0 263.684 2.402 40 0 CEABRM Cc1ccc(NC2=N[C@@]([O-])(C(F)(F)F)C(=O)S2)cc1 ZINC000005587954 292161053 /nfs/dbraw/zinc/16/10/53/292161053.db2.gz SVVRWOXSZOWCNK-JTQLQIEISA-N -1 0 290.266 2.287 40 0 CEABRM COC(=O)c1[nH]c2cc(OC)ccc2c1/C=C/C(=O)[O-] ZINC000002527022 169803136 /nfs/dbraw/zinc/80/31/36/169803136.db2.gz AOPOXEBHYBIYOL-AATRIKPKSA-N -1 0 275.260 2.061 40 0 CEABRM O=C1C=C([O-])C=C2OC(c3ccccc3O)C(=O)C(O)=C12 ZINC000006095498 170175964 /nfs/dbraw/zinc/17/59/64/170175964.db2.gz WCNLFPKXBGWWDS-UHFFFAOYSA-N -1 0 286.239 2.282 40 0 biogenic,in-vitro CEABRM CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000006563277 170213638 /nfs/dbraw/zinc/21/36/38/170213638.db2.gz AQDWBTVUDHFLJZ-UHFFFAOYSA-N -1 0 280.349 2.244 40 0 CEABRM O=C([O-])[C@@H]1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]2CC[C@H]1C2 ZINC000006741734 170237800 /nfs/dbraw/zinc/23/78/00/170237800.db2.gz MCZUVQZPNUJZTA-WVWOOGAGSA-N -1 0 291.322 2.189 40 0 CEABRM CCOc1ccc(Nc2ncc(C(=O)[O-])cn2)cc1 ZINC000008702945 170347655 /nfs/dbraw/zinc/34/76/55/170347655.db2.gz COCQYNWFLNKQDS-UHFFFAOYSA-N -1 0 259.265 2.317 40 0 CEABRM O=C([O-])/C=C/c1cnc(NCc2ccccc2)nc1 ZINC000008730947 170350606 /nfs/dbraw/zinc/35/06/06/170350606.db2.gz FGBGRXPQAHKARL-VOTSOKGWSA-N -1 0 255.277 2.187 40 0 CEABRM CN1CC2(CCC(C(=O)[O-])CC2)Oc2ccccc2C1=O ZINC000019587849 170829342 /nfs/dbraw/zinc/82/93/42/170829342.db2.gz IYUYPSXBMHHSMJ-UHFFFAOYSA-N -1 0 289.331 2.165 40 0 CEABRM C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H]1SC(=O)[N-]C1=O ZINC000039793464 174173009 /nfs/dbraw/zinc/17/30/09/174173009.db2.gz WJSZNDIVRAWIAN-MUWHJKNJSA-N -1 0 298.751 2.266 40 0 CEABRM C[C@@]1(C(=O)[O-])CC(c2cccc(Br)c2)=NO1 ZINC000071981073 176307676 /nfs/dbraw/zinc/30/76/76/176307676.db2.gz FXPFCJKHCIWTSD-NSHDSACASA-N -1 0 284.109 2.417 40 0 CEABRM C[C@]1(C(=O)[O-])CC(c2cccc(Br)c2)=NO1 ZINC000071981072 176307684 /nfs/dbraw/zinc/30/76/84/176307684.db2.gz FXPFCJKHCIWTSD-LLVKDONJSA-N -1 0 284.109 2.417 40 0 CEABRM CCC(=O)N1CCC[C@@H]1c1nccnc1[N-]c1ncccn1 ZINC000072384749 176388742 /nfs/dbraw/zinc/38/87/42/176388742.db2.gz HDGNILYMGKRTRE-LLVKDONJSA-N -1 0 298.350 2.084 40 0 CEABRM Cc1c(Br)cc(C=O)n1CCCC(=O)[O-] ZINC000078405534 177338525 /nfs/dbraw/zinc/33/85/25/177338525.db2.gz IMIJFSGJNWFINU-UHFFFAOYSA-N -1 0 274.114 2.236 40 0 CEABRM Nc1cc(C(=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000049455803 295348789 /nfs/dbraw/zinc/34/87/89/295348789.db2.gz HWVSPLMNRCJOPY-UHFFFAOYSA-N -1 0 297.358 2.294 40 0 CEABRM Cc1c(Br)c(C(F)F)nn1CCC(=O)[O-] ZINC000408717143 533706329 /nfs/dbraw/zinc/70/63/29/533706329.db2.gz WEZWWGAEJKJYAE-UHFFFAOYSA-N -1 0 283.072 2.366 40 0 CEABRM CC(C)c1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000395617561 329294608 /nfs/dbraw/zinc/29/46/08/329294608.db2.gz KNKMBFCQWRTMHO-UHFFFAOYSA-N -1 0 272.304 2.113 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000049466697 522106290 /nfs/dbraw/zinc/10/62/90/522106290.db2.gz IFJRKZCHMSSLGN-WDBKCZKBSA-N -1 0 291.347 2.468 40 0 CEABRM CON(C)C(=O)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000167492498 523294049 /nfs/dbraw/zinc/29/40/49/523294049.db2.gz CNSOUSCIIHECDS-UHFFFAOYSA-N -1 0 287.341 2.124 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2cc(C(F)(F)F)ccc21 ZINC000062718824 527603648 /nfs/dbraw/zinc/60/36/48/527603648.db2.gz LBAWCDNOAZWDBA-UHFFFAOYSA-N -1 0 285.221 2.495 40 0 CEABRM CCCn1c2ccc(Cl)cc2nc1S(=O)(=O)[O-] ZINC000095532052 185005119 /nfs/dbraw/zinc/00/51/19/185005119.db2.gz RRYNNGBVJXDNPS-UHFFFAOYSA-N -1 0 274.729 2.346 40 0 CEABRM CCOc1ccc(-c2cc(C(=O)[O-])c(=O)n(CC)n2)cc1 ZINC000082459196 178034730 /nfs/dbraw/zinc/03/47/30/178034730.db2.gz QZWSBKVKZFUJQX-UHFFFAOYSA-N -1 0 288.303 2.027 40 0 CEABRM Cc1ccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)cc1 ZINC000036635186 361849205 /nfs/dbraw/zinc/84/92/05/361849205.db2.gz LDWJVKPGFGVWFO-SECBINFHSA-N -1 0 265.290 2.038 40 0 CEABRM CCc1ccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)cc1 ZINC000036635204 361849635 /nfs/dbraw/zinc/84/96/35/361849635.db2.gz UIOSGZQOUOJVMF-SNVBAGLBSA-N -1 0 279.317 2.292 40 0 CEABRM CC[C@H](C)[C@@H](C(=O)[O-])n1cnc2ccccc2c1=O ZINC000049466388 362364411 /nfs/dbraw/zinc/36/44/11/362364411.db2.gz HRFFWFNRAOGQNR-CABZTGNLSA-N -1 0 260.293 2.068 40 0 CEABRM CCc1ccccc1-n1nc(C(=O)[O-])c(N2CCCC2)n1 ZINC000256045738 344646601 /nfs/dbraw/zinc/64/66/01/344646601.db2.gz ATSOWFPPMGQJMS-UHFFFAOYSA-N -1 0 286.335 2.128 40 0 CEABRM CCN(CC)c1nn(-c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000256046423 344647121 /nfs/dbraw/zinc/64/71/21/344647121.db2.gz FUGKTYQJXPYYKV-UHFFFAOYSA-N -1 0 294.742 2.465 40 0 CEABRM COc1cc(Br)cc(C(=O)[O-])c1OC(C)=O ZINC000057340106 362578469 /nfs/dbraw/zinc/57/84/69/362578469.db2.gz NZPJYRAPBMBQKF-UHFFFAOYSA-N -1 0 289.081 2.081 40 0 CEABRM CCOC(=O)C=C([O-])c1cc(CC)ccc1OC ZINC000085396745 179049069 /nfs/dbraw/zinc/04/90/69/179049069.db2.gz XEYLIRQIPZCEBA-UHFFFAOYSA-N -1 0 250.294 2.394 40 0 CEABRM O=C([O-])c1nnn(Cc2ccccc2)c1C(F)(F)F ZINC000062279847 362716749 /nfs/dbraw/zinc/71/67/49/362716749.db2.gz LVDUPBPSVVIGNY-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM O=C([O-])c1ccc(OCC(F)(F)F)c(Cl)n1 ZINC000091692974 180228921 /nfs/dbraw/zinc/22/89/21/180228921.db2.gz WZTGMRHCVLRAEZ-UHFFFAOYSA-N -1 0 255.579 2.374 40 0 CEABRM C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1 ZINC000107066345 186158866 /nfs/dbraw/zinc/15/88/66/186158866.db2.gz UFNCPBWXZSABQU-PMTDCRIQSA-N -1 0 285.343 2.387 40 0 CEABRM O=C([O-])c1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000080050787 363641736 /nfs/dbraw/zinc/64/17/36/363641736.db2.gz MCXMVQIHMHHVRW-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM Cn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000004652803 361325925 /nfs/dbraw/zinc/32/59/25/361325925.db2.gz XBWKXBPFTOQOKN-UHFFFAOYSA-N -1 0 283.740 2.312 40 0 CEABRM C[C@H]1c2ccccc2N=C2S[C@@H](CC(=O)[O-])C(=O)N21 ZINC000006268486 361336871 /nfs/dbraw/zinc/33/68/71/361336871.db2.gz JHGGILBGFIXZMZ-XVKPBYJWSA-N -1 0 276.317 2.167 40 0 CEABRM Cn1ccs/c1=N\C(=O)c1ccc([O-])c(Cl)c1 ZINC000030990841 361706403 /nfs/dbraw/zinc/70/64/03/361706403.db2.gz FGHQTZFRRCAXNF-QBFSEMIESA-N -1 0 268.725 2.187 40 0 CEABRM O=C([O-])CCc1nc(-c2ccccc2OC(F)F)no1 ZINC000089262131 363952277 /nfs/dbraw/zinc/95/22/77/363952277.db2.gz DMITYEFPFDWCGQ-UHFFFAOYSA-N -1 0 284.218 2.355 40 0 CEABRM CC(C)Cn1ncc(C(=O)[O-])c1OCc1cccnc1 ZINC000095096621 364340136 /nfs/dbraw/zinc/34/01/36/364340136.db2.gz YOHAVTYUECADPC-UHFFFAOYSA-N -1 0 275.308 2.211 40 0 CEABRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CCO ZINC000100072193 364538749 /nfs/dbraw/zinc/53/87/49/364538749.db2.gz ZQGNNPRZGSBGGH-UHFFFAOYSA-N -1 0 252.701 2.075 40 0 CEABRM COc1c(C)cc(I)cc1C(=O)[O-] ZINC000113839233 364915580 /nfs/dbraw/zinc/91/55/80/364915580.db2.gz QEXCIIKHFIGICC-UHFFFAOYSA-N -1 0 292.072 2.306 40 0 CEABRM CC[C@@H](C(=O)[O-])N(C)c1cc(OC)ccc1OC ZINC000225000669 370284498 /nfs/dbraw/zinc/28/44/98/370284498.db2.gz CRIPAIYEZPBAHP-JTQLQIEISA-N -1 0 253.298 2.003 40 0 CEABRM C[C@H]1CCCCN1C(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000225713820 370313993 /nfs/dbraw/zinc/31/39/93/370313993.db2.gz GIGGCSDKOROSIM-VJTDZRGJSA-N -1 0 277.364 2.300 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](OC2(C(=O)[O-])CCC2)C1 ZINC000409418957 375522272 /nfs/dbraw/zinc/52/22/72/375522272.db2.gz IUKAXXLAHCHHFR-SNVBAGLBSA-N -1 0 285.340 2.020 40 0 CEABRM CCn1cc(NCc2ccc(F)s2)c(C(=O)[O-])n1 ZINC000256052228 190004268 /nfs/dbraw/zinc/00/42/68/190004268.db2.gz MLVIVAOZWLPXIX-UHFFFAOYSA-N -1 0 269.301 2.414 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2CC(=O)[O-] ZINC000261506972 190039729 /nfs/dbraw/zinc/03/97/29/190039729.db2.gz DCRMSHLCTZMJHG-JGPRNRPPSA-N -1 0 269.341 2.354 40 0 CEABRM C[C@@H]1CCCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000015424055 296321130 /nfs/dbraw/zinc/32/11/30/296321130.db2.gz NZSATVHHCIJKCH-MRVPVSSYSA-N -1 0 289.378 2.009 40 0 CEABRM Nc1c(Br)ccc2ccc(C(=O)[O-])nc12 ZINC000040538034 256725124 /nfs/dbraw/zinc/72/51/24/256725124.db2.gz YAYBWEFOFDCQCT-UHFFFAOYSA-N -1 0 267.082 2.278 40 0 CEABRM CC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004016962 256872190 /nfs/dbraw/zinc/87/21/90/256872190.db2.gz BZCOJKQCVCRIOF-DHMWGJHJSA-N -1 0 299.326 2.351 40 0 CEABRM O=C([O-])c1cnn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000051174631 304279784 /nfs/dbraw/zinc/27/97/84/304279784.db2.gz OHWGBXKYNGHMKV-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM COc1ccc([C@@H](OCC(=O)[O-])C(F)(F)F)cc1 ZINC000095096380 184943561 /nfs/dbraw/zinc/94/35/61/184943561.db2.gz TXSBIWFOTNBAIA-SNVBAGLBSA-N -1 0 264.199 2.400 40 0 CEABRM Cc1ccc(Nc2cc(C3CC3)nc(NCC(=O)[O-])n2)cc1 ZINC000329061306 394560536 /nfs/dbraw/zinc/56/05/36/394560536.db2.gz WRBVHDAZYYISKC-UHFFFAOYSA-N -1 0 298.346 2.324 40 0 CEABRM CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCCC(=O)[O-] ZINC000062715999 394569613 /nfs/dbraw/zinc/56/96/13/394569613.db2.gz STYYJQNQAVVNNI-CQSZACIVSA-N -1 0 276.336 2.401 40 0 CEABRM O=c1[n-]n(-c2ccc(F)cc2)c(=O)c(Cl)c1Cl ZINC000252496893 394571506 /nfs/dbraw/zinc/57/15/06/394571506.db2.gz PUGDBKIIZGFWKS-UHFFFAOYSA-N -1 0 275.066 2.384 40 0 CEABRM CC(C)c1noc(Cc2c(C(=O)[O-])n[nH]c2C2CC2)n1 ZINC000072220421 394594598 /nfs/dbraw/zinc/59/45/98/394594598.db2.gz OMIMNYIGRQUXBH-UHFFFAOYSA-N -1 0 276.296 2.083 40 0 CEABRM C[C@H](c1ccc(Cl)cc1)n1cc(C(=O)[O-])nn1 ZINC000096510214 394693144 /nfs/dbraw/zinc/69/31/44/394693144.db2.gz UQXROFMETQPITJ-SSDOTTSWSA-N -1 0 251.673 2.239 40 0 CEABRM O=C([O-])c1cnn(CCC(F)(F)C(F)(F)F)c1 ZINC000096509057 394693428 /nfs/dbraw/zinc/69/34/28/394693428.db2.gz QNBQYKWVMIKMQA-UHFFFAOYSA-N -1 0 258.146 2.169 40 0 CEABRM CCC(=C([O-])c1ccccc1F)S(=O)(=O)CC ZINC000096518084 394695130 /nfs/dbraw/zinc/69/51/30/394695130.db2.gz QZKSMSYJNQPMOC-LLVKDONJSA-N -1 0 258.314 2.222 40 0 CEABRM Cc1nc(-c2ccc(F)cc2)cc(-n2ccc(C(=O)[O-])n2)n1 ZINC000096517409 394695211 /nfs/dbraw/zinc/69/52/11/394695211.db2.gz ITDCCKPJCHORMJ-UHFFFAOYSA-N -1 0 298.277 2.475 40 0 CEABRM CC(C)C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003335021 169880319 /nfs/dbraw/zinc/88/03/19/169880319.db2.gz SOGZORAFQCMVQL-LLVKDONJSA-N -1 0 253.273 2.055 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000004760277 170012428 /nfs/dbraw/zinc/01/24/28/170012428.db2.gz UWLWOFVQJCZMSN-BCWBERDBSA-N -1 0 293.269 2.426 40 0 CEABRM O=C([O-])c1ccc(CN2C(=O)C(=O)c3ccccc32)cc1 ZINC000022167827 171366892 /nfs/dbraw/zinc/36/68/92/171366892.db2.gz DRCKOMOOYAOLRD-UHFFFAOYSA-N -1 0 281.267 2.114 40 0 CEABRM O=C([O-])CCc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000034973180 171908963 /nfs/dbraw/zinc/90/89/63/171908963.db2.gz JYWXHGLRHJYLJJ-UHFFFAOYSA-N -1 0 292.360 2.271 40 0 CEABRM O=C([O-])c1ccc(N2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000035280322 172098652 /nfs/dbraw/zinc/09/86/52/172098652.db2.gz ASGKNXPDVUSZKF-UHFFFAOYSA-N -1 0 273.288 2.209 40 0 CEABRM CCCC[C@@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O ZINC000035410888 172182030 /nfs/dbraw/zinc/18/20/30/172182030.db2.gz OQWIBSPEAMFVKG-NSHDSACASA-N -1 0 281.352 2.339 40 0 CEABRM Cc1nn(-c2ccc(Cl)cc2C)nc1C(=O)[O-] ZINC000045954244 175389119 /nfs/dbraw/zinc/38/91/19/175389119.db2.gz AZIAUQZRWDITND-UHFFFAOYSA-N -1 0 251.673 2.236 40 0 CEABRM O=C([O-])c1cc(-c2cccc(Cl)c2)n[nH]c1=O ZINC000077058834 177169564 /nfs/dbraw/zinc/16/95/64/177169564.db2.gz CKNRMOKPQOCAFH-UHFFFAOYSA-N -1 0 250.641 2.201 40 0 CEABRM O=C([O-])[C@@H]1CC[C@H](c2nc3ccccc3c(=O)[nH]2)S1 ZINC000256055055 419470109 /nfs/dbraw/zinc/47/01/09/419470109.db2.gz YXWWBLAOLZKHRL-ZJUUUORDSA-N -1 0 276.317 2.357 40 0 CEABRM CC(C)(C)OC(=O)C[C@@]1(C)N[C@H](C(=O)[O-])C(C)(C)S1 ZINC000001707397 278377122 /nfs/dbraw/zinc/37/71/22/278377122.db2.gz UDRAPPYUWMHIHM-RNCFNFMXSA-N -1 0 289.397 2.003 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000040449993 278382872 /nfs/dbraw/zinc/38/28/72/278382872.db2.gz XUZBQTPCOHAVQD-UHFFFAOYSA-N -1 0 295.339 2.153 40 0 CEABRM CC(C)n1ncc(C(=O)[O-])c1OCc1ccccn1 ZINC000095096618 280792495 /nfs/dbraw/zinc/79/24/95/280792495.db2.gz CJMXBLULIRQONA-UHFFFAOYSA-N -1 0 261.281 2.136 40 0 CEABRM COc1ccc(-c2nc3sc(C(=O)[O-])c(C)n3n2)cc1 ZINC000098146312 295049227 /nfs/dbraw/zinc/04/92/27/295049227.db2.gz KLVRLPVEQQKQGB-UHFFFAOYSA-N -1 0 289.316 2.473 40 0 CEABRM Cc1cc(O)c(C(=O)[O-])c(=O)n1C1CCCCC1 ZINC000095094159 301367534 /nfs/dbraw/zinc/36/75/34/301367534.db2.gz WESYBBDFRUHTBQ-UHFFFAOYSA-N -1 0 251.282 2.066 40 0 CEABRM Cc1cc2nc(N3CC(C(=O)[O-])C3)sc2cc1C ZINC000061957923 301462156 /nfs/dbraw/zinc/46/21/56/301462156.db2.gz SAZVYPKTEKVJAR-UHFFFAOYSA-N -1 0 262.334 2.434 40 0 CEABRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000013434849 301518151 /nfs/dbraw/zinc/51/81/51/301518151.db2.gz LSZHOZYHPHHWJT-HNNXBMFYSA-N -1 0 297.310 2.487 40 0 CEABRM COCCOc1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000008703667 343362782 /nfs/dbraw/zinc/36/27/82/343362782.db2.gz LVLKBVQEWKEEFR-UHFFFAOYSA-N -1 0 265.309 2.010 40 0 CEABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cccs1 ZINC000000555251 343351198 /nfs/dbraw/zinc/35/11/98/343351198.db2.gz LZMWGBKYNHCFQU-FLIBITNWSA-N -1 0 290.344 2.153 40 0 CEABRM CCC/C=C/C=C/[C@H](CCC(=O)OC)[C@@H](CO)C(=O)[O-] ZINC000049181463 362345630 /nfs/dbraw/zinc/34/56/30/362345630.db2.gz PVHUKALHRBPQNM-RHLCEPFYSA-N -1 0 284.352 2.161 40 0 biogenic,in-vitro CEABRM Cc1cc(SCC(=O)[O-])nc(SC(C)C)n1 ZINC000049468918 362365998 /nfs/dbraw/zinc/36/59/98/362365998.db2.gz YJNCGXUBILOVQS-UHFFFAOYSA-N -1 0 258.368 2.462 40 0 CEABRM CCCc1nc(SC(=Cc2ccncc2)C(=O)[O-])n[nH]1 ZINC000213379852 344532586 /nfs/dbraw/zinc/53/25/86/344532586.db2.gz RHUPILPECZAVTO-NTMALXAHSA-N -1 0 290.348 2.370 40 0 CEABRM O=C([O-])c1cn(Cc2cc(Br)cs2)cn1 ZINC000236476757 344596091 /nfs/dbraw/zinc/59/60/91/344596091.db2.gz GASBQJWQWKXPRD-UHFFFAOYSA-N -1 0 287.138 2.454 40 0 CEABRM COc1ccc(CC2CC(C(=O)[O-])C2)cc1OC ZINC000084100914 178789946 /nfs/dbraw/zinc/78/99/46/178789946.db2.gz XZUAMMGEZOZDTN-UHFFFAOYSA-N -1 0 250.294 2.357 40 0 CEABRM O=C([O-])C(=O)c1c[nH]c2cccc(Br)c12 ZINC000084858936 178930551 /nfs/dbraw/zinc/93/05/51/178930551.db2.gz ZSBKPXYGLITYCN-UHFFFAOYSA-N -1 0 268.066 2.198 40 0 CEABRM COc1ccc(-c2csc(N)n2)cc1C(=O)[O-] ZINC000085397487 179049782 /nfs/dbraw/zinc/04/97/82/179049782.db2.gz LNASPTOGQMCRFX-UHFFFAOYSA-N -1 0 250.279 2.099 40 0 CEABRM CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000114833770 186645276 /nfs/dbraw/zinc/64/52/76/186645276.db2.gz NSYMCQJZIIQOHK-UHFFFAOYSA-N -1 0 293.291 2.205 40 0 CEABRM O=C([O-])C1=C(C(=O)Nc2ccccc2)[C@H]2C=C[C@@H]1C2 ZINC000001622815 304035352 /nfs/dbraw/zinc/03/53/52/304035352.db2.gz JGEIUKKXIXCBQA-VHSXEESVSA-N -1 0 255.273 2.212 40 0 CEABRM COc1c2cc(Br)cn2ccc1C(=O)[O-] ZINC000217656818 540412581 /nfs/dbraw/zinc/41/25/81/540412581.db2.gz PNETUDLLYXNSOF-UHFFFAOYSA-N -1 0 270.082 2.409 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H]1C(=O)[O-] ZINC000242543282 540423705 /nfs/dbraw/zinc/42/37/05/540423705.db2.gz JVGKKFAANDQUHO-KXUCPTDWSA-N -1 0 255.314 2.107 40 0 CEABRM CC[C@H](Oc1ccc(OC)c2ccccc(=O)c12)C(=O)[O-] ZINC000001617853 361212210 /nfs/dbraw/zinc/21/22/10/361212210.db2.gz FOSKEUOTQUACNL-LBPRGKRZSA-N -1 0 288.299 2.451 40 0 CEABRM O=S(=O)([O-])[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000002044717 361226823 /nfs/dbraw/zinc/22/68/23/361226823.db2.gz UGTWGPHWWXFKKH-GFCCVEGCSA-N -1 0 270.350 2.311 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1ncc(-c2cccs2)s1 ZINC000002548189 361238968 /nfs/dbraw/zinc/23/89/68/361238968.db2.gz QUPRFQXCTVCHQL-ONEGZZNKSA-N -1 0 280.330 2.451 40 0 CEABRM Nc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000003157257 361265772 /nfs/dbraw/zinc/26/57/72/361265772.db2.gz DEYOWSMKYZPDMQ-UHFFFAOYSA-N -1 0 256.261 2.219 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCCc1ccccc1 ZINC000004652587 361324264 /nfs/dbraw/zinc/32/42/64/361324264.db2.gz IKFYJFIRVYEOFG-QXSJWSMHSA-N -1 0 299.370 2.258 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000008699299 361343088 /nfs/dbraw/zinc/34/30/88/361343088.db2.gz SFBZDQKMJLUZQF-GUBZILKMSA-N -1 0 255.314 2.107 40 0 CEABRM O=C([O-])c1sccc1S(=O)(=O)NC1CCCCC1 ZINC000015424101 361472945 /nfs/dbraw/zinc/47/29/45/361472945.db2.gz OYIGSLGDTFYHFF-UHFFFAOYSA-N -1 0 289.378 2.057 40 0 CEABRM CC[C@@H](C)N(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2)[C@@H](C)CC ZINC000017024329 361502675 /nfs/dbraw/zinc/50/26/75/361502675.db2.gz MFIHHRMTOMCTDO-GLBINXAQSA-N -1 0 297.395 2.290 40 0 CEABRM CCc1c(C)[n-]n2c1nc(-c1ccncc1)cc2=O ZINC000019521793 361542058 /nfs/dbraw/zinc/54/20/58/361542058.db2.gz UQJMDHOKPLWHRF-UHFFFAOYSA-N -1 0 254.293 2.368 40 0 CEABRM Cc1cc2nn(-c3cccc(C(=O)[O-])c3)nc2cc1N ZINC000020156630 361581945 /nfs/dbraw/zinc/58/19/45/361581945.db2.gz BMVAOZLKLKTSBY-UHFFFAOYSA-N -1 0 268.276 2.009 40 0 CEABRM COCCn1c(CCC(=O)[O-])nc2cccc(Cl)c21 ZINC000095095643 364339034 /nfs/dbraw/zinc/33/90/34/364339034.db2.gz FOPAVGDZBBYYDB-UHFFFAOYSA-N -1 0 282.727 2.353 40 0 CEABRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Cc1c(C)[nH][nH]c1=O ZINC000100926853 364552777 /nfs/dbraw/zinc/55/27/77/364552777.db2.gz MSFLGUZSRDUQTG-LJTDUEICSA-N -1 0 296.330 2.021 40 0 CEABRM COc1ccc(C2=NC(=O)C(=C([O-])c3ccccc3)O2)cc1 ZINC000104092859 364677696 /nfs/dbraw/zinc/67/76/96/364677696.db2.gz MNLWPOAIDLFMIS-OAHLLOKOSA-N -1 0 295.294 2.250 40 0 CEABRM Cc1c(NC(=S)NC(C)C)cccc1C(=O)[O-] ZINC000216928379 189707347 /nfs/dbraw/zinc/70/73/47/189707347.db2.gz NQZVHTIZILLTNO-UHFFFAOYSA-N -1 0 252.339 2.388 40 0 CEABRM C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])[C@@H]1C ZINC000220296175 370231324 /nfs/dbraw/zinc/23/13/24/370231324.db2.gz XAGZJDIKHFHOLH-PPHWHCQRSA-N -1 0 291.391 2.450 40 0 CEABRM CC(C)(Nc1cncc(Br)c1)C(=O)[O-] ZINC000223434013 370266139 /nfs/dbraw/zinc/26/61/39/370266139.db2.gz CGONHMNCODIGDT-UHFFFAOYSA-N -1 0 259.103 2.119 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCCCCC1 ZINC000016551822 304159302 /nfs/dbraw/zinc/15/93/02/304159302.db2.gz BDXZQZCHVGCKDL-QNWHQSFQSA-N -1 0 265.353 2.136 40 0 CEABRM CCCC[C@H](Nc1cc(Cl)nc(C)n1)C(=O)[O-] ZINC000409428882 375524228 /nfs/dbraw/zinc/52/42/28/375524228.db2.gz PLGFSGVUMDHQBX-QMMMGPOBSA-N -1 0 257.721 2.494 40 0 CEABRM COc1cccc(Cc2ccc(N3CC(C(=O)[O-])C3)nc2)c1 ZINC000257302024 190030400 /nfs/dbraw/zinc/03/04/00/190030400.db2.gz SBBLQNXSCHWFGA-UHFFFAOYSA-N -1 0 298.342 2.202 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCCc2ccccc21 ZINC000005685362 304211263 /nfs/dbraw/zinc/21/12/63/304211263.db2.gz IOFJUNNZKGARLU-CLWVCHIJSA-N -1 0 297.354 2.489 40 0 CEABRM O=C([O-])c1c(Br)c[nH]c(=O)c1Br ZINC000170622909 304216806 /nfs/dbraw/zinc/21/68/06/304216806.db2.gz UQZNSUJUZRLPLA-UHFFFAOYSA-N -1 0 296.902 2.010 40 0 CEABRM CCO/C(=C\c1ccc(O)cc1)c1n[n-]c(=N)s1 ZINC000408717998 260027861 /nfs/dbraw/zinc/02/78/61/260027861.db2.gz AGMCFDCAHOHOFT-YFHOEESVSA-N -1 0 263.322 2.191 40 0 CEABRM COc1cc(C(=O)[O-])n(-c2ccccc2Cl)n1 ZINC000218292094 130767833 /nfs/dbraw/zinc/76/78/33/130767833.db2.gz ZVUOHWXDHJGJQO-UHFFFAOYSA-N -1 0 252.657 2.233 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)CC(=O)N1 ZINC000044563702 394507192 /nfs/dbraw/zinc/50/71/92/394507192.db2.gz LEUWBMAQQQENOO-SNVBAGLBSA-N -1 0 265.696 2.302 40 0 CEABRM O=C([O-])COc1ccccc1CNCc1ccco1 ZINC000062716847 394569722 /nfs/dbraw/zinc/56/97/22/394569722.db2.gz YDLPOUQIMVRUDR-UHFFFAOYSA-N -1 0 261.277 2.033 40 0 CEABRM Cc1nc(-c2ccccc2)cc(N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000096516898 394694313 /nfs/dbraw/zinc/69/43/13/394694313.db2.gz MTPQMHOVQISLMO-CYBMUJFWSA-N -1 0 283.331 2.363 40 0 CEABRM Cc1nc2c(c(=O)n1Cc1ccc(C(=O)[O-])cc1)CCCC2 ZINC000096531062 394697987 /nfs/dbraw/zinc/69/79/87/394697987.db2.gz IGYQXIOMKLWTRE-UHFFFAOYSA-N -1 0 298.342 2.177 40 0 CEABRM O=C([O-])c1cnn2c1N[C@H](c1cccc(Cl)c1)C2 ZINC000096530327 394698004 /nfs/dbraw/zinc/69/80/04/394698004.db2.gz BOLYSIHMERCCPR-JTQLQIEISA-N -1 0 263.684 2.402 40 0 CEABRM CCc1cc(C(F)(F)F)nn1CCCC(=O)[O-] ZINC000238854928 400314746 /nfs/dbraw/zinc/31/47/46/400314746.db2.gz POALUZOCFAZZRV-UHFFFAOYSA-N -1 0 250.220 2.329 40 0 CEABRM [O-]c1cnc(Br)cc1Br ZINC000071255669 296593338 /nfs/dbraw/zinc/59/33/38/296593338.db2.gz HGTPFYYAPIHRHY-UHFFFAOYSA-N -1 0 252.893 2.312 40 0 CEABRM C[C@H](C(=O)[O-])N(C(=O)c1cc2c(cccc2F)[nH]1)C1CC1 ZINC000262575437 153963406 /nfs/dbraw/zinc/96/34/06/153963406.db2.gz DJHNTQCATLCOQE-MRVPVSSYSA-N -1 0 290.294 2.385 40 0 CEABRM CCOc1ccc(OCC(=O)[O-])c2c1CCCC2=O ZINC000005813014 170142375 /nfs/dbraw/zinc/14/23/75/170142375.db2.gz GJJGNXMUEGVGHL-UHFFFAOYSA-N -1 0 264.277 2.068 40 0 CEABRM O=C([O-])CCn1cnc(-c2ccc(Cl)cc2)c1 ZINC000008514160 170338857 /nfs/dbraw/zinc/33/88/57/170338857.db2.gz LGXGSPKFEASLAL-UHFFFAOYSA-O -1 0 251.693 2.097 40 0 CEABRM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-] ZINC000008700617 170346837 /nfs/dbraw/zinc/34/68/37/170346837.db2.gz GJTJMPYIMIZXGZ-RYUDHWBXSA-N -1 0 295.335 2.006 40 0 CEABRM CCS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000019509541 170819895 /nfs/dbraw/zinc/81/98/95/170819895.db2.gz LPYGSVPTQSSPNJ-UHFFFAOYSA-N -1 0 279.317 2.300 40 0 CEABRM O=C([O-])CSc1nccn1CCc1ccccc1 ZINC000020582347 171257497 /nfs/dbraw/zinc/25/74/97/171257497.db2.gz YQSUJOJZTIVKDV-UHFFFAOYSA-N -1 0 262.334 2.303 40 0 CEABRM O=C([O-])[C@H](c1ccccc1)N1C(=O)CC2(CCCC2)C1=O ZINC000035185378 172039208 /nfs/dbraw/zinc/03/92/08/172039208.db2.gz WNQAAVMBPFBLKZ-ZDUSSCGKSA-N -1 0 287.315 2.132 40 0 CEABRM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])C1CCCC1 ZINC000095642262 260555882 /nfs/dbraw/zinc/55/58/82/260555882.db2.gz QGVWOPZWAMDFGD-SNVBAGLBSA-N -1 0 257.330 2.402 40 0 CEABRM CC(C)c1cc(=O)c2c([n-]n(-c3ccc(F)cc3)c2=O)[nH]1 ZINC000008020862 278006321 /nfs/dbraw/zinc/00/63/21/278006321.db2.gz MYZQHAKBUZRGOU-UHFFFAOYSA-N -1 0 287.294 2.270 40 0 CEABRM CC(C)CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466497 278864732 /nfs/dbraw/zinc/86/47/32/278864732.db2.gz DJDWDFNEKUILHT-GXTWGEPZSA-N -1 0 261.321 2.317 40 0 CEABRM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCC(=O)[O-])C2 ZINC000004041128 281451666 /nfs/dbraw/zinc/45/16/66/281451666.db2.gz LORGYLUHSAMZCG-RULNRJAQSA-N -1 0 253.342 2.182 40 0 CEABRM Cc1cc(-c2c([O-])c3ccccc3n(C)c2=O)no1 ZINC000101654449 301033586 /nfs/dbraw/zinc/03/35/86/301033586.db2.gz GGOBTWURPZQKHE-UHFFFAOYSA-N -1 0 256.261 2.208 40 0 CEABRM Cc1cc(O)c(C(=O)[O-])cc1I ZINC000022001288 301367601 /nfs/dbraw/zinc/36/76/01/301367601.db2.gz UTMZYHSBLJWZDY-UHFFFAOYSA-N -1 0 278.045 2.003 40 0 CEABRM Nc1cc2nn(-c3cccc(C(=O)[O-])c3)nc2cc1Cl ZINC000020156631 303494407 /nfs/dbraw/zinc/49/44/07/303494407.db2.gz QLUFPYBOIXPPBE-UHFFFAOYSA-N -1 0 288.694 2.354 40 0 CEABRM CCCc1nn2c([n-]1)nc(-c1cccc(OC)c1)cc2=O ZINC000104016611 528757103 /nfs/dbraw/zinc/75/71/03/528757103.db2.gz HZVJGMMTVHSHDK-UHFFFAOYSA-N -1 0 284.319 2.046 40 0 CEABRM CCN1C(=O)CCc2cc(SCC(=O)[O-])ccc21 ZINC000218791603 535430260 /nfs/dbraw/zinc/43/02/60/535430260.db2.gz OPSGJZCCJICRQK-UHFFFAOYSA-N -1 0 265.334 2.162 40 0 CEABRM Cc1ccnc(SCc2ccc(C(=O)[O-])o2)n1 ZINC000048106327 362245599 /nfs/dbraw/zinc/24/55/99/362245599.db2.gz IPNCBGGUYIDSGE-UHFFFAOYSA-N -1 0 250.279 2.369 40 0 CEABRM CCOc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000048655808 362293432 /nfs/dbraw/zinc/29/34/32/362293432.db2.gz MZEDLDDKKQYILG-UHFFFAOYSA-N -1 0 296.348 2.491 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H](C(=O)[O-])[C@H]2C1 ZINC000095851279 344237390 /nfs/dbraw/zinc/23/73/90/344237390.db2.gz WYOZADCWRIFDFW-VWYCJHECSA-N -1 0 269.341 2.354 40 0 CEABRM CCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000049466687 362363968 /nfs/dbraw/zinc/36/39/68/362363968.db2.gz NGDIRWAMOFFFGM-OCCSQVGLSA-N -1 0 277.320 2.079 40 0 CEABRM COc1ccccc1OCc1ncc(C(=O)[O-])c(C)n1 ZINC000049468437 362365432 /nfs/dbraw/zinc/36/54/32/362365432.db2.gz LJKOYWUJZDDEQS-UHFFFAOYSA-N -1 0 274.276 2.071 40 0 CEABRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[O-])CC(F)(F)C1 ZINC000220695862 344538454 /nfs/dbraw/zinc/53/84/54/344538454.db2.gz CDVFIGFKFSWZQV-SFYZADRCSA-N -1 0 279.283 2.400 40 0 CEABRM CN(c1ncccc1C(=O)[O-])C1CCSCC1 ZINC000403684272 344876189 /nfs/dbraw/zinc/87/61/89/344876189.db2.gz GMRLPINKQZAQMH-UHFFFAOYSA-N -1 0 252.339 2.112 40 0 CEABRM CCOc1cc(-c2ncc(C(=O)[O-])cn2)ccc1OC ZINC000058042219 362606543 /nfs/dbraw/zinc/60/65/43/362606543.db2.gz KCTRARTYZRIQAS-UHFFFAOYSA-N -1 0 274.276 2.249 40 0 CEABRM COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC000085393379 179048673 /nfs/dbraw/zinc/04/86/73/179048673.db2.gz KKRFAEDYDKXRIR-WRWORJQWSA-N -1 0 270.668 2.037 40 0 CEABRM CCCOc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC ZINC000085394829 179049107 /nfs/dbraw/zinc/04/91/07/179049107.db2.gz UGSUGNKWGJXNEF-QMTHXVAHSA-N -1 0 294.303 2.173 40 0 CEABRM CCOC(=O)c1[n-]c2cc(OC)ccc2c(=O)c1Cl ZINC000685937561 540319248 /nfs/dbraw/zinc/31/92/48/540319248.db2.gz RFPSTCDJWMWSIM-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM CCOc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(SC)n1 ZINC000079439725 363601501 /nfs/dbraw/zinc/60/15/01/363601501.db2.gz REVPQQXCUYHEEV-SECBINFHSA-N -1 0 297.380 2.041 40 0 CEABRM CCc1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000286048 361157018 /nfs/dbraw/zinc/15/70/18/361157018.db2.gz ULADJHJXHMICRU-UHFFFAOYSA-N -1 0 253.323 2.005 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000002527317 361237988 /nfs/dbraw/zinc/23/79/88/361237988.db2.gz MFBDFVFXHFCNQX-NWDGAFQWSA-N -1 0 292.335 2.117 40 0 CEABRM CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)NCc1ccco1 ZINC000004012733 361296470 /nfs/dbraw/zinc/29/64/70/361296470.db2.gz YKDHCCFJXBEINY-HFBAOOFYSA-N -1 0 291.347 2.423 40 0 CEABRM O=C([O-])CNc1ncnc2c(Cl)cc(Cl)cc12 ZINC000004294375 361310669 /nfs/dbraw/zinc/31/06/69/361310669.db2.gz WIRVDGUPIUVOLO-UHFFFAOYSA-N -1 0 272.091 2.433 40 0 CEABRM C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614640 361323941 /nfs/dbraw/zinc/32/39/41/361323941.db2.gz HQGJKFJOZCPTLE-QNWHQSFQSA-N -1 0 265.353 2.348 40 0 CEABRM O=C(Nc1nnn[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000006862936 361339069 /nfs/dbraw/zinc/33/90/69/361339069.db2.gz FNYQVZVQSOFMLZ-UHFFFAOYSA-N -1 0 273.083 2.151 40 0 CEABRM O=C([O-])c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000013079833 361418287 /nfs/dbraw/zinc/41/82/87/361418287.db2.gz FIMUSNQIDRGMIQ-UHFFFAOYSA-N -1 0 277.320 2.213 40 0 CEABRM COCCn1c(CCC(=O)[O-])nc2ccc(Cl)cc21 ZINC000095095714 364338783 /nfs/dbraw/zinc/33/87/83/364338783.db2.gz RWLUTCKCDGHXRD-UHFFFAOYSA-N -1 0 282.727 2.353 40 0 CEABRM O=C([O-])CO[C@@H](c1ccc2c(c1)CCO2)C(F)(F)F ZINC000095096452 364339738 /nfs/dbraw/zinc/33/97/38/364339738.db2.gz CUDOSCQQYUVOOI-NSHDSACASA-N -1 0 276.210 2.326 40 0 CEABRM Cc1nc(N2CCC[C@H](C(=O)[O-])C2)cc(C(F)(F)F)n1 ZINC000096516878 364425129 /nfs/dbraw/zinc/42/51/29/364425129.db2.gz YFXXVIFOUBJJMM-QMMMGPOBSA-N -1 0 289.257 2.105 40 0 CEABRM O=C([O-])Cn1c(C2CCOCC2)nc2cccc(F)c21 ZINC000098213742 364538273 /nfs/dbraw/zinc/53/82/73/364538273.db2.gz USDFWSNLVJDTTK-UHFFFAOYSA-N -1 0 278.283 2.154 40 0 CEABRM O=c1cc(-c2cccc(Br)c2)nc2cc[n-]n21 ZINC000100207257 364541340 /nfs/dbraw/zinc/54/13/40/364541340.db2.gz NCKZXEZVTCILBI-UHFFFAOYSA-N -1 0 290.120 2.452 40 0 CEABRM Cc1nc(COc2ccccc2F)ncc1C(=O)[O-] ZINC000217397362 370195589 /nfs/dbraw/zinc/19/55/89/370195589.db2.gz BPABQOUJJPTFBC-UHFFFAOYSA-N -1 0 262.240 2.201 40 0 CEABRM O=C([O-])[C@@H]1[C@H]2C=C[C@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)NCc1ccccc1 ZINC000217703887 370200485 /nfs/dbraw/zinc/20/04/85/370200485.db2.gz FIOSFBRBAZSKEI-HLZFJGBKSA-N -1 0 297.354 2.072 40 0 CEABRM Cc1ccccc1-c1nc(S[C@@H](C)C(=O)[O-])n[nH]1 ZINC000224979521 370284083 /nfs/dbraw/zinc/28/40/83/370284083.db2.gz OCYBCJSNURXEPP-QMMMGPOBSA-N -1 0 263.322 2.345 40 0 CEABRM CCCCc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000225150018 370285631 /nfs/dbraw/zinc/28/56/31/370285631.db2.gz FDSBLZQUVOKTJN-MRXNPFEDSA-N -1 0 291.391 2.357 40 0 CEABRM Cc1nc([C@@H]2CN(c3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257251797 371609988 /nfs/dbraw/zinc/60/99/88/371609988.db2.gz JSHIFSCAIWOZDM-AWEZNQCLSA-N -1 0 271.320 2.069 40 0 CEABRM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000001621341 304181068 /nfs/dbraw/zinc/18/10/68/304181068.db2.gz BERSTTUHHVIHQK-UWVGGRQHSA-N -1 0 287.319 2.392 40 0 in-vitro CEABRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)n1C ZINC000408676863 375514349 /nfs/dbraw/zinc/51/43/49/375514349.db2.gz NFOUIFVUWXKKEB-UHFFFAOYSA-N -1 0 286.331 2.270 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000002379753 304211330 /nfs/dbraw/zinc/21/13/30/304211330.db2.gz TYAYPIWADLHQNF-CLWVCHIJSA-N -1 0 297.354 2.094 40 0 CEABRM O=C([O-])c1cc2[nH]ccc2c(I)c1 ZINC000004670957 304228345 /nfs/dbraw/zinc/22/83/45/304228345.db2.gz ICDDFJQDRKTPFX-UHFFFAOYSA-N -1 0 287.056 2.471 40 0 CEABRM O=C([O-])c1cncc(Br)c1Br ZINC000091301671 304279541 /nfs/dbraw/zinc/27/95/41/304279541.db2.gz IHKYGDGPCRXNHQ-UHFFFAOYSA-N -1 0 280.903 2.305 40 0 CEABRM O=C([O-])c1nc2cc(F)ccc2n1CC1CCOCC1 ZINC000255188329 304283385 /nfs/dbraw/zinc/28/33/85/304283385.db2.gz JKNBBNHGSGNZQR-UHFFFAOYSA-N -1 0 278.283 2.300 40 0 CEABRM O=C([O-])c1nc2cc(F)ccc2n1CC(F)(F)F ZINC000255190583 304283488 /nfs/dbraw/zinc/28/34/88/304283488.db2.gz YECALFZDGQVNSS-UHFFFAOYSA-N -1 0 262.162 2.436 40 0 CEABRM CCc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)[O-] ZINC000238852635 394494814 /nfs/dbraw/zinc/49/48/14/394494814.db2.gz GRLZUEBUGQSOIZ-LURJTMIESA-N -1 0 250.220 2.185 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2ccccc2Cl)NC(=O)N1 ZINC000044563656 394507257 /nfs/dbraw/zinc/50/72/57/394507257.db2.gz WBDVGRQVHRNGHV-JTQLQIEISA-N -1 0 266.684 2.053 40 0 CEABRM CC(C)Oc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1 ZINC000062709448 394569624 /nfs/dbraw/zinc/56/96/24/394569624.db2.gz ZWIFJOFZZMLJOK-ZDUSSCGKSA-N -1 0 277.320 2.049 40 0 CEABRM Cc1noc([C@@H](C)NC(=O)NC2CCCCC2)c1C(=O)[O-] ZINC000096297091 394678858 /nfs/dbraw/zinc/67/88/58/394678858.db2.gz FOTSRWXFPBSTFE-SECBINFHSA-N -1 0 295.339 2.374 40 0 biogenic,in-vitro CEABRM CCC(=C([O-])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096518027 394695072 /nfs/dbraw/zinc/69/50/72/394695072.db2.gz KRRLZLMMCCNJSP-JTQLQIEISA-N -1 0 260.742 2.346 40 0 CEABRM COC(=O)C1=C([O-])c2ccccc2[C@H](C(=O)OC)[C@H]1C ZINC000208036888 395474878 /nfs/dbraw/zinc/47/48/78/395474878.db2.gz YFWVFGYWECDQCR-LDYMZIIASA-N -1 0 276.288 2.035 40 0 CEABRM CC(C)(C)OC(=O)Nc1cnccc1CC(=O)[O-] ZINC000199714675 395470356 /nfs/dbraw/zinc/47/03/56/395470356.db2.gz SKOWSXDCNKOWQZ-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM O=C([O-])C1CCN(C(=S)Nc2ccccc2)CC1 ZINC000005589767 170116700 /nfs/dbraw/zinc/11/67/00/170116700.db2.gz NNALTKAUKABZMI-UHFFFAOYSA-N -1 0 264.350 2.180 40 0 CEABRM CN(CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000005719612 170132687 /nfs/dbraw/zinc/13/26/87/170132687.db2.gz RQWRHTAGQYRAFL-UHFFFAOYSA-N -1 0 256.689 2.278 40 0 CEABRM CCCCC(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000005859573 170147974 /nfs/dbraw/zinc/14/79/74/170147974.db2.gz VFZRHVFRFUYXLU-UHFFFAOYSA-N -1 0 280.349 2.388 40 0 CEABRM COc1cc(/C=C/C(=O)[O-])c(Br)cc1O ZINC000013746979 170588189 /nfs/dbraw/zinc/58/81/89/170588189.db2.gz ZCMBFUYSGHEJQS-NSCUHMNNSA-N -1 0 273.082 2.261 40 0 CEABRM CN(CCC(=O)[O-])c1ccc(Br)cc1F ZINC000020133780 171021994 /nfs/dbraw/zinc/02/19/94/171021994.db2.gz NMWIYMJAMRVVQC-UHFFFAOYSA-N -1 0 276.105 2.499 40 0 CEABRM COc1cc(C(=O)[O-])cc(OC)c1OCc1ccncc1 ZINC000021952267 171340236 /nfs/dbraw/zinc/34/02/36/171340236.db2.gz JECCPNNTPXCWRP-UHFFFAOYSA-N -1 0 289.287 2.376 40 0 CEABRM O=C([O-])CCCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000022119601 171353350 /nfs/dbraw/zinc/35/33/50/171353350.db2.gz IQKWLKMDRORSKN-UHFFFAOYSA-N -1 0 299.286 2.398 40 0 CEABRM Cc1ccc2cc(-c3noc(CCC(=O)[O-])n3)c(=O)[nH]c2c1 ZINC000022119532 171353485 /nfs/dbraw/zinc/35/34/85/171353485.db2.gz DYKCGEDVZOALFY-UHFFFAOYSA-N -1 0 299.286 2.316 40 0 CEABRM CCCC[C@H](CC)C[NH+](CCC(=O)[O-])CCC(=O)[O-] ZINC000038652128 174150643 /nfs/dbraw/zinc/15/06/43/174150643.db2.gz OAHNQUKKWVAYGR-LBPRGKRZSA-N -1 0 273.373 2.454 40 0 CEABRM Nc1ccc(NCCc2ccc(O)cc2)c(C(=O)[O-])c1 ZINC000040737385 174389505 /nfs/dbraw/zinc/38/95/05/174389505.db2.gz YXOMOVAQKAMOHN-UHFFFAOYSA-N -1 0 272.304 2.327 40 0 CEABRM O=C([O-])c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000585143325 414821331 /nfs/dbraw/zinc/82/13/31/414821331.db2.gz BWQNZZZUGZUNOC-UHFFFAOYSA-N -1 0 253.261 2.178 40 0 CEABRM Cc1cc(C)nc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004457755 301264897 /nfs/dbraw/zinc/26/48/97/301264897.db2.gz PFIFPVUCCOHPSP-WVWOOGAGSA-N -1 0 286.331 2.160 40 0 CEABRM Cc1ccccc1[C@@H]1CC(=O)c2cc(C(=O)[O-])c(=O)[nH]c2C1 ZINC000020800696 302146855 /nfs/dbraw/zinc/14/68/55/302146855.db2.gz ZRBLYPYGSVBDMD-JTQLQIEISA-N -1 0 297.310 2.294 40 0 CEABRM CCNC(=O)c1cc2nc(C(=O)[O-])n(CC)c2cc1Cl ZINC000225730478 333182168 /nfs/dbraw/zinc/18/21/68/333182168.db2.gz KCUUSMBGIATKJT-UHFFFAOYSA-N -1 0 295.726 2.158 40 0 CEABRM COc1cc2nccc(SCC(=O)[O-])c2cc1OC ZINC000062718707 523069080 /nfs/dbraw/zinc/06/90/80/523069080.db2.gz WNBSVINPFMAMSZ-UHFFFAOYSA-N -1 0 279.317 2.429 40 0 CEABRM CCn1c2cc(Cl)ccc2nc1[C@@H](O)CC(=O)[O-] ZINC000064874488 523256573 /nfs/dbraw/zinc/25/65/73/523256573.db2.gz OYOGZWFGOURQMX-JTQLQIEISA-N -1 0 268.700 2.218 40 0 CEABRM O=C([O-])CCn1ccc(=O)c2ccc(C(F)(F)F)cc21 ZINC000062718827 527604106 /nfs/dbraw/zinc/60/41/06/527604106.db2.gz DCCDUYGKEDMXMS-UHFFFAOYSA-N -1 0 285.221 2.495 40 0 CEABRM CCCn1nc(-c2ccc(OC)cc2)cc(C(=O)[O-])c1=O ZINC000082461924 178038453 /nfs/dbraw/zinc/03/84/53/178038453.db2.gz GXHOBIMLWBOZON-UHFFFAOYSA-N -1 0 288.303 2.027 40 0 CEABRM O=C([O-])C(=O)c1cccc(OC(F)(F)C(F)F)c1 ZINC000095740244 185024642 /nfs/dbraw/zinc/02/46/42/185024642.db2.gz TVWKOGMZPJIVBU-UHFFFAOYSA-N -1 0 266.146 2.191 40 0 CEABRM CC(C)(C)OC(=O)N1CC=C(CC(=O)[O-])C(F)(F)C1 ZINC000096028436 185067059 /nfs/dbraw/zinc/06/70/59/185067059.db2.gz OKSUYZSMBQHYFA-UHFFFAOYSA-N -1 0 277.267 2.274 40 0 CEABRM O=C([O-])[C@H]1CCn2cc(C(=O)c3ccccc3)cc21 ZINC000034279648 361788853 /nfs/dbraw/zinc/78/88/53/361788853.db2.gz DJZUDKBHTXZJRO-LBPRGKRZSA-N -1 0 255.273 2.291 40 0 in-vitro CEABRM CC(C)(C)OCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133086580 344367141 /nfs/dbraw/zinc/36/71/41/344367141.db2.gz CLZGRHJSOQWDPX-VIFPVBQESA-N -1 0 275.345 2.170 40 0 CEABRM C[C@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000225760675 344547300 /nfs/dbraw/zinc/54/73/00/344547300.db2.gz KXKZVTQSNMTKIP-VRGHQRLXSA-N -1 0 252.232 2.453 40 0 CEABRM CCN(CC)c1nn(-c2cccc(C)c2C)nc1C(=O)[O-] ZINC000256046077 344647128 /nfs/dbraw/zinc/64/71/28/344647128.db2.gz CNSKDYYADQHGIM-UHFFFAOYSA-N -1 0 288.351 2.429 40 0 CEABRM O=C([O-])c1cc(OC(F)F)n(-c2cccc(F)c2)n1 ZINC000256049659 344647304 /nfs/dbraw/zinc/64/73/04/344647304.db2.gz AVCZAXDDXHGLHY-UHFFFAOYSA-N -1 0 272.182 2.311 40 0 CEABRM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)C1CC(F)(F)C1 ZINC000409432519 344889023 /nfs/dbraw/zinc/88/90/23/344889023.db2.gz OKSRAJSXDBATGG-NSHDSACASA-N -1 0 299.273 2.411 40 0 CEABRM Nc1nc(Cc2ccc(F)cc2)c(Br)c(=O)[n-]1 ZINC000409434315 344889090 /nfs/dbraw/zinc/88/90/90/344889090.db2.gz RISBLEMAXQJMDD-UHFFFAOYSA-N -1 0 298.115 2.087 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1c1ccncc1 ZINC000409443841 344890030 /nfs/dbraw/zinc/89/00/30/344890030.db2.gz VGCVBGJLICKXSN-NEPJUHHUSA-N -1 0 292.335 2.464 40 0 CEABRM C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)c1cccnc1 ZINC000054965088 362540796 /nfs/dbraw/zinc/54/07/96/362540796.db2.gz UJMZRFRMINOTOG-VIFPVBQESA-N -1 0 266.297 2.296 40 0 CEABRM O=C([O-])C1CN(c2nc3ccc(Cl)cc3s2)C1 ZINC000061957910 362701055 /nfs/dbraw/zinc/70/10/55/362701055.db2.gz VPMZYXSEVGWMSJ-UHFFFAOYSA-N -1 0 268.725 2.471 40 0 CEABRM CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](C(=O)[O-])[C@@H]21 ZINC000101741285 185756713 /nfs/dbraw/zinc/75/67/13/185756713.db2.gz SIRIUJBYRLGXJF-OPRDCNLKSA-N -1 0 255.314 2.107 40 0 CEABRM COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C\C(=O)[O-] ZINC000090548268 180001648 /nfs/dbraw/zinc/00/16/48/180001648.db2.gz XYFRHHAYSXIKGH-XQRVVYSFSA-N -1 0 275.260 2.061 40 0 CEABRM O=C([O-])C1=NN(c2ccc(F)c(Cl)c2)C(=O)C1 ZINC000076305235 363535694 /nfs/dbraw/zinc/53/56/94/363535694.db2.gz HGIPKJNZYWSINB-UHFFFAOYSA-N -1 0 256.620 2.069 40 0 CEABRM CC1(C)[C@@](C)(C(=O)[O-])[C@]12CC[C@@H]2C(=O)NCc1ccco1 ZINC000000189345 361142740 /nfs/dbraw/zinc/14/27/40/361142740.db2.gz YKDHCCFJXBEINY-LYRGGWFBSA-N -1 0 291.347 2.423 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC000001598751 361211443 /nfs/dbraw/zinc/21/14/43/361211443.db2.gz QOAPIBFFCXKFHF-CMDGGOBGSA-N -1 0 293.278 2.477 40 0 CEABRM O=S(=O)([O-])O[C@H]1CCCC[C@@H]1Nc1ccccc1 ZINC000001711764 361218514 /nfs/dbraw/zinc/21/85/14/361218514.db2.gz OWOGFSMTAPRCJP-RYUDHWBXSA-N -1 0 271.338 2.229 40 0 CEABRM CCOc1cccc2c(=O)c(C(=O)[O-])cn(CC)c12 ZINC000001735142 361220871 /nfs/dbraw/zinc/22/08/71/361220871.db2.gz LILXTOXYBHMERM-UHFFFAOYSA-N -1 0 261.277 2.118 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000013320975 361425201 /nfs/dbraw/zinc/42/52/01/361425201.db2.gz MCZUVQZPNUJZTA-UZGDPCLZSA-N -1 0 291.322 2.189 40 0 CEABRM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000013439611 361427775 /nfs/dbraw/zinc/42/77/75/361427775.db2.gz AIAVFZMCHCSYGP-UHFFFAOYSA-N -1 0 299.282 2.295 40 0 CEABRM C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3[C@@H](O)C(C)(C)C[C@@]123 ZINC000014649064 361459314 /nfs/dbraw/zinc/45/93/14/361459314.db2.gz WBLTVUMJMJIOGQ-NZIXVDBUSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM Nc1c(I)cc(Cl)cc1C(=O)[O-] ZINC000028278219 361671401 /nfs/dbraw/zinc/67/14/01/361671401.db2.gz VJRDUSOUTARJDM-UHFFFAOYSA-N -1 0 297.479 2.225 40 0 CEABRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Cc1c(C)[nH][nH]c1=O ZINC000100926856 364552484 /nfs/dbraw/zinc/55/24/84/364552484.db2.gz MSFLGUZSRDUQTG-YXVBKTCISA-N -1 0 296.330 2.021 40 0 CEABRM COc1ccc(C2=NC(=O)C(=C([O-])c3ccccc3)O2)cc1 ZINC000104092855 364675161 /nfs/dbraw/zinc/67/51/61/364675161.db2.gz MNLWPOAIDLFMIS-HNNXBMFYSA-N -1 0 295.294 2.250 40 0 CEABRM CCO[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000221028868 189723917 /nfs/dbraw/zinc/72/39/17/189723917.db2.gz SZOGYMDQMHFLJG-JTQLQIEISA-N -1 0 273.126 2.481 40 0 CEABRM CO[C@@H]1CN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC[C@H]1C ZINC000634944089 368979938 /nfs/dbraw/zinc/97/99/38/368979938.db2.gz NLNMJWZORFTLBP-XJKCOSOUSA-N -1 0 299.411 2.397 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1cccs1 ZINC000222441133 370254283 /nfs/dbraw/zinc/25/42/83/370254283.db2.gz KKUJJZNCMMEUQQ-LFSVMHDDSA-N -1 0 291.372 2.277 40 0 CEABRM CC(C)NC(=S)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000216929071 370191476 /nfs/dbraw/zinc/19/14/76/370191476.db2.gz WBBRXNJCTJBVSH-VMPITWQZSA-N -1 0 264.350 2.479 40 0 CEABRM CCO[C@@H](Cc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000225124344 370285320 /nfs/dbraw/zinc/28/53/20/370285320.db2.gz UGSMWULYIWTDPO-NSHDSACASA-N -1 0 258.701 2.381 40 0 CEABRM Cn1c(SCC(=O)[O-])nnc1-c1cc2ccccc2[nH]1 ZINC000228977270 370416359 /nfs/dbraw/zinc/41/63/59/370416359.db2.gz AJLVGGYFCVKZGS-UHFFFAOYSA-N -1 0 288.332 2.140 40 0 CEABRM O=C([O-])[C@@H]1[C@H](c2ccccc2)c2ccccc2[C@@H](O)[C@@H]1CO ZINC000004783066 304160067 /nfs/dbraw/zinc/16/00/67/304160067.db2.gz RAESRZQFJCRAIX-WCXIOVBPSA-N -1 0 298.338 2.175 40 0 CEABRM Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000408715736 375516714 /nfs/dbraw/zinc/51/67/14/375516714.db2.gz CZAMMXINIVGHOC-UHFFFAOYSA-N -1 0 286.118 2.349 40 0 CEABRM O=C([O-])c1ccccc1CNc1cnn(CCF)c1 ZINC000256051624 190003915 /nfs/dbraw/zinc/00/39/15/190003915.db2.gz JXRYBSJSCKHROD-UHFFFAOYSA-N -1 0 263.272 2.163 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000006330023 304211387 /nfs/dbraw/zinc/21/13/87/304211387.db2.gz XJQBGWKOMFMYOM-BCWBERDBSA-N -1 0 293.269 2.426 40 0 CEABRM O=C([O-])c1cnc2cc(Br)cnc2c1 ZINC000098181175 304279205 /nfs/dbraw/zinc/27/92/05/304279205.db2.gz NMTFSPJLZYGKTG-UHFFFAOYSA-N -1 0 253.055 2.091 40 0 CEABRM C[C@@H]1Cc2cc(C(=O)[O-])cc(Br)c2O1 ZINC000214584776 130755807 /nfs/dbraw/zinc/75/58/07/130755807.db2.gz SZPIKUCGUXXTDB-RXMQYKEDSA-N -1 0 257.083 2.471 40 0 CEABRM COc1c(I)cc(F)cc1C(=O)[O-] ZINC000225277908 394468327 /nfs/dbraw/zinc/46/83/27/394468327.db2.gz ZRUBMEXFHIEYLI-UHFFFAOYSA-N -1 0 296.035 2.137 40 0 CEABRM CC(C)[C@H]1CC[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000242649313 400315418 /nfs/dbraw/zinc/31/54/18/400315418.db2.gz SAOZGDGRXDWELD-RNCFNFMXSA-N -1 0 257.330 2.401 40 0 CEABRM CC[C@@H](C)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000013577024 286794809 /nfs/dbraw/zinc/79/48/09/286794809.db2.gz YKCGDGCCAXYKJI-NOOOWODRSA-N -1 0 270.373 2.364 40 0 CEABRM CCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000006634598 170220313 /nfs/dbraw/zinc/22/03/13/170220313.db2.gz FYFFGLNAVLGSSU-UHFFFAOYSA-N -1 0 286.740 2.261 40 0 CEABRM O=C([O-])CSc1n[nH]c(-c2ccccc2Cl)n1 ZINC000009198410 170366186 /nfs/dbraw/zinc/36/61/86/170366186.db2.gz RGLGNRSPBJWDQM-UHFFFAOYSA-N -1 0 269.713 2.302 40 0 CEABRM COc1cccc(-c2cnn3c2ncc(C(=O)[O-])c3C)c1 ZINC000022126349 171354322 /nfs/dbraw/zinc/35/43/22/171354322.db2.gz CQOACHHDLXYBNB-UHFFFAOYSA-N -1 0 283.287 2.412 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccccn1 ZINC000038580510 174147966 /nfs/dbraw/zinc/14/79/66/174147966.db2.gz VGHPUFIBMDVHCT-JTQLQIEISA-N -1 0 266.297 2.122 40 0 CEABRM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CC(C)C)cc1 ZINC000049466635 295252284 /nfs/dbraw/zinc/25/22/84/295252284.db2.gz VAXGCCZSNJHNGA-ZFWWWQNUSA-N -1 0 291.347 2.325 40 0 CEABRM COc1ccccc1-n1cc(C(=O)[O-])cnc1=S ZINC000217676346 295345131 /nfs/dbraw/zinc/34/51/31/295345131.db2.gz AQMJWYZMMPDYHD-UHFFFAOYSA-N -1 0 262.290 2.309 40 0 CEABRM Cc1c([C@@H]2N[C@@H](C(=O)[O-])CS2)c2ccccc2n1C ZINC000408809399 300996178 /nfs/dbraw/zinc/99/61/78/300996178.db2.gz GTLHGQIJBIXVAU-ZWNOBZJWSA-N -1 0 276.361 2.275 40 0 CEABRM Nc1c(Br)ccc(Cl)c1C(=O)[O-] ZINC000088123242 303491523 /nfs/dbraw/zinc/49/15/23/303491523.db2.gz FQJGLFZNTXSQQS-UHFFFAOYSA-N -1 0 250.479 2.383 40 0 CEABRM CCCCn1nc(-c2cccs2)cc(C(=O)[O-])c1=O ZINC000082462746 178038774 /nfs/dbraw/zinc/03/87/74/178038774.db2.gz SQJBYGAQQJJRIJ-UHFFFAOYSA-N -1 0 278.333 2.470 40 0 CEABRM O=C(Nc1ccc(Cl)cc1)[C@H]1CSC(=S)[N-]1 ZINC000032594647 361745342 /nfs/dbraw/zinc/74/53/42/361745342.db2.gz SCFBMKRVRLKEPW-MRVPVSSYSA-N -1 0 272.782 2.268 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccco1 ZINC000033413955 361778458 /nfs/dbraw/zinc/77/84/58/361778458.db2.gz BXPLFCDWYFFMHX-NWDGAFQWSA-N -1 0 258.229 2.360 40 0 CEABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1cccnc1 ZINC000033413965 361778792 /nfs/dbraw/zinc/77/87/92/361778792.db2.gz WIGYRLGBZDBVTA-QWHCGFSZSA-N -1 0 269.256 2.162 40 0 CEABRM COc1ccc(OC)c(CSc2nnc(C)c(=O)[n-]2)c1 ZINC000033613279 343417510 /nfs/dbraw/zinc/41/75/10/343417510.db2.gz PYSMKWSQJUWNGE-UHFFFAOYSA-N -1 0 293.348 2.195 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](CC1CC(F)(F)C1)C(=O)[O-] ZINC000167156864 344478166 /nfs/dbraw/zinc/47/81/66/344478166.db2.gz FZKXCGBTNRNDOX-QMMMGPOBSA-N -1 0 279.283 2.400 40 0 CEABRM O=c1[n-]n(-c2cccc(Cl)c2)c(=O)c(Cl)c1Cl ZINC000225330933 344545327 /nfs/dbraw/zinc/54/53/27/344545327.db2.gz JSUXKKYASYGRTK-UHFFFAOYSA-N -1 0 291.521 2.486 40 0 CEABRM O=C([O-])c1cc(-c2ccc(Br)o2)ncn1 ZINC000409436518 344889188 /nfs/dbraw/zinc/88/91/88/344889188.db2.gz DQIPJTSXULYOQY-UHFFFAOYSA-N -1 0 269.054 2.197 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1c1ccccn1 ZINC000409442993 344890085 /nfs/dbraw/zinc/89/00/85/344890085.db2.gz FGEVYVVXQRCVKS-ZYHUDNBSSA-N -1 0 292.335 2.464 40 0 CEABRM CCOC(=O)C(C)=C([O-])c1ccc(OCC)cc1 ZINC000085396800 179049803 /nfs/dbraw/zinc/04/98/03/179049803.db2.gz RMDQMJXHXQZNOQ-SNVBAGLBSA-N -1 0 250.294 2.467 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccc(Br)cc1 ZINC000085393348 179048582 /nfs/dbraw/zinc/04/85/82/179048582.db2.gz BFGIQUZHUQFEOZ-WCBMZHEXSA-N -1 0 285.093 2.138 40 0 CEABRM O=C([O-])c1cn(Cc2ccccc2)nc1Br ZINC000085392325 179048718 /nfs/dbraw/zinc/04/87/18/179048718.db2.gz PZYITUYOMWORFU-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM COc1ccc(-n2nc(C)c(CC(=O)[O-])c2C)c(C)c1 ZINC000085398095 179050241 /nfs/dbraw/zinc/05/02/41/179050241.db2.gz MLROIFMJAKSXLX-UHFFFAOYSA-N -1 0 274.320 2.433 40 0 CEABRM O=C([O-])c1nccn1Cc1cccc(Br)c1 ZINC000067173940 362903024 /nfs/dbraw/zinc/90/30/24/362903024.db2.gz AJMOXESJEBOORU-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM CCOc1ccccc1-c1nnc(SCC(=O)[O-])n1C ZINC000116937197 186732574 /nfs/dbraw/zinc/73/25/74/186732574.db2.gz BHDRZEXYKJGMRI-UHFFFAOYSA-N -1 0 293.348 2.058 40 0 CEABRM O=C([O-])C1CN(Cc2cc(Br)cs2)C1 ZINC000070569809 363094745 /nfs/dbraw/zinc/09/47/45/363094745.db2.gz URSCYOXYWYDWAI-UHFFFAOYSA-N -1 0 276.155 2.027 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](CSCC(=O)[O-])C1 ZINC000079392085 363594234 /nfs/dbraw/zinc/59/42/34/363594234.db2.gz RZBIKYBUPJHHQX-SECBINFHSA-N -1 0 275.370 2.061 40 0 CEABRM CCn1nc(C)c([N-]S(=O)(=O)c2ccccc2)c1C ZINC000000810914 361193400 /nfs/dbraw/zinc/19/34/00/361193400.db2.gz FCYZCAPRIQDTQM-UHFFFAOYSA-N -1 0 279.365 2.321 40 0 CEABRM COc1ccc([C@@H](C(=O)[O-])c2ccc(N)cc2)cc1 ZINC000001597906 361211539 /nfs/dbraw/zinc/21/15/39/361211539.db2.gz NOAPWFPEIMMORP-AWEZNQCLSA-N -1 0 257.289 2.494 40 0 CEABRM Cc1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 ZINC000002388689 361234533 /nfs/dbraw/zinc/23/45/33/361234533.db2.gz IKEULWQNBCIZFD-UHFFFAOYSA-N -1 0 280.305 2.134 40 0 CEABRM CCCCCCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000015424098 361472842 /nfs/dbraw/zinc/47/28/42/361472842.db2.gz PTGFPKQVUNANKL-UHFFFAOYSA-N -1 0 291.394 2.305 40 0 CEABRM CC1=C[C@@H](C)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000017971471 361512371 /nfs/dbraw/zinc/51/23/71/361512371.db2.gz IUFYUZYEQQSJDA-LERXQTSPSA-N -1 0 299.326 2.477 40 0 CEABRM O=C([O-])c1ccc(Cc2ccc3c(c2)OCCO3)o1 ZINC000084135362 363798228 /nfs/dbraw/zinc/79/82/28/363798228.db2.gz FXHGWZTYJZHIDB-UHFFFAOYSA-N -1 0 260.245 2.340 40 0 CEABRM O=Cc1c2ccc(Br)cc2[nH]c1C(=O)[O-] ZINC000022864674 361589449 /nfs/dbraw/zinc/58/94/49/361589449.db2.gz YGJUHWGIMPOPPF-UHFFFAOYSA-N -1 0 268.066 2.441 40 0 CEABRM Cc1nn(-c2ccccc2)c(Cl)c1CC(=O)[O-] ZINC000026545326 361643326 /nfs/dbraw/zinc/64/33/26/361643326.db2.gz XQYRNCQRSOKRPQ-UHFFFAOYSA-N -1 0 250.685 2.461 40 0 CEABRM CO[C@@H](C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000087493604 363857869 /nfs/dbraw/zinc/85/78/69/363857869.db2.gz IYQNRIHKUXQRLD-MRVPVSSYSA-N -1 0 250.172 2.357 40 0 CEABRM CCc1ccc2nc(CC(C)(C)CC(=O)[O-])c[n+]([O-])c2c1 ZINC000089263241 363952288 /nfs/dbraw/zinc/95/22/88/363952288.db2.gz OFJJIGSSDNAHHH-UHFFFAOYSA-N -1 0 288.347 2.474 40 0 CEABRM C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C1 ZINC000169619724 367368942 /nfs/dbraw/zinc/36/89/42/367368942.db2.gz KLGMBMDYWUJPHD-VPCRRHSYSA-N -1 0 277.364 2.014 40 0 CEABRM CCCO[C@@H](Cc1ccc(OC)cc1OC)C(=O)[O-] ZINC000225113788 370285736 /nfs/dbraw/zinc/28/57/36/370285736.db2.gz ABETWDSHLNNBEK-ZDUSSCGKSA-N -1 0 268.309 2.126 40 0 CEABRM COc1ccccc1Nc1cc(SCC(=O)[O-])ncn1 ZINC000226100429 370328902 /nfs/dbraw/zinc/32/89/02/370328902.db2.gz OOJAFZCIPVVBGP-UHFFFAOYSA-N -1 0 291.332 2.406 40 0 CEABRM CC(C)(C)OC(=O)C1=C(O)CCC12CCN(C(=O)[O-])CC2 ZINC000265540609 372022757 /nfs/dbraw/zinc/02/27/57/372022757.db2.gz KBXSPJDIJSSNEP-LLVKDONJSA-N -1 0 297.351 2.067 40 0 CEABRM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC1 ZINC000261508886 190040689 /nfs/dbraw/zinc/04/06/89/190040689.db2.gz XYYQNPXNASISRS-JTQLQIEISA-N -1 0 270.126 2.281 40 0 CEABRM O=C([O-])CCN[C@@H](Cc1ccccc1)C(F)(F)F ZINC000096527918 256730516 /nfs/dbraw/zinc/73/05/16/256730516.db2.gz ILCNTSHLRRZMKW-JTQLQIEISA-N -1 0 261.243 2.224 40 0 CEABRM O=C([O-])c1conc1[C@@H](O)c1ccc(Cl)cc1 ZINC000504238891 304281899 /nfs/dbraw/zinc/28/18/99/304281899.db2.gz GCFNTLRMFUKTTR-JTQLQIEISA-N -1 0 253.641 2.108 40 0 CEABRM Cc1nc(S(=O)(=O)C2CCCCC2)c(C(=O)[O-])s1 ZINC000218307928 130767815 /nfs/dbraw/zinc/76/78/15/130767815.db2.gz GYRRDYBTPXASMZ-UHFFFAOYSA-N -1 0 289.378 2.256 40 0 CEABRM CC[C@@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC000001751952 394452134 /nfs/dbraw/zinc/45/21/34/394452134.db2.gz GOPBSXOHNWRZMU-BXUZGUMPSA-N -1 0 281.377 2.374 40 0 CEABRM Cn1c2ccccc2nc1-c1cc(C(=O)[O-])nnc1Cl ZINC000072221095 394594662 /nfs/dbraw/zinc/59/46/62/394594662.db2.gz DLKXXKRZZYSDBW-UHFFFAOYSA-N -1 0 288.694 2.382 40 0 CEABRM CC(C)n1nc([C@@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000072209267 394591970 /nfs/dbraw/zinc/59/19/70/394591970.db2.gz HDYOOUZOCWAFOS-SECBINFHSA-N -1 0 260.293 2.166 40 0 CEABRM CCOC(=O)n1[n-]c(=O)c2ccc(Br)cc21 ZINC000089200375 394648040 /nfs/dbraw/zinc/64/80/40/394648040.db2.gz XRZPODDLBRORIQ-UHFFFAOYSA-N -1 0 285.097 2.097 40 0 CEABRM CCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccco1 ZINC000096515665 394694292 /nfs/dbraw/zinc/69/42/92/394694292.db2.gz RMABJNHWPGZROQ-GWCFXTLKSA-N -1 0 265.309 2.444 40 0 CEABRM CCC(=C([O-])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096518097 394695116 /nfs/dbraw/zinc/69/51/16/394695116.db2.gz GUIJEUWLVLTLML-LBPRGKRZSA-N -1 0 270.350 2.091 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@H](c1cc(F)cc(F)c1)C2 ZINC000096530356 394697836 /nfs/dbraw/zinc/69/78/36/394697836.db2.gz YGRWMNVXKLYXLW-JTQLQIEISA-N -1 0 279.246 2.335 40 0 CEABRM Cc1cc(C)cc(NC(=O)CSCC(=O)[O-])c1 ZINC000005018213 170056308 /nfs/dbraw/zinc/05/63/08/170056308.db2.gz FWHWVZWMZKNDHR-UHFFFAOYSA-N -1 0 253.323 2.060 40 0 CEABRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000005603641 170118552 /nfs/dbraw/zinc/11/85/52/170118552.db2.gz QAGUVKYLCYSVQT-CQSZACIVSA-N -1 0 285.299 2.471 40 0 CEABRM O=C(c1c(=O)[nH]c2cc(Cl)ccc2c1[O-])C1CC1 ZINC000006161246 170180270 /nfs/dbraw/zinc/18/02/70/170180270.db2.gz MXEFWCFPCLDOOG-UHFFFAOYSA-N -1 0 263.680 2.480 40 0 in-vitro CEABRM O=Cc1ccccc1OCCCSCC(=O)[O-] ZINC000008731442 170351022 /nfs/dbraw/zinc/35/10/22/170351022.db2.gz XOVVNOQWHHDWNT-UHFFFAOYSA-N -1 0 254.307 2.086 40 0 CEABRM CCOc1cc(C=O)ccc1OCCCSCC(=O)[O-] ZINC000008731444 170351031 /nfs/dbraw/zinc/35/10/31/170351031.db2.gz PVBJZPMDMCOBSE-UHFFFAOYSA-N -1 0 298.360 2.485 40 0 CEABRM CCC(=O)Oc1n[n-]sc1=NC(=O)Oc1ccccc1 ZINC000012359085 170479087 /nfs/dbraw/zinc/47/90/87/170479087.db2.gz MFUUXYXHOLIHEG-UHFFFAOYSA-N -1 0 293.304 2.464 40 0 CEABRM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccco1 ZINC000015446589 170667461 /nfs/dbraw/zinc/66/74/61/170667461.db2.gz JKQGTYDVJBARBW-LBPRGKRZSA-N -1 0 275.260 2.332 40 0 CEABRM COc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000020136868 171024507 /nfs/dbraw/zinc/02/45/07/171024507.db2.gz HXABQXJDDQCCPC-UHFFFAOYSA-N -1 0 251.282 2.378 40 0 CEABRM Cc1ccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1C ZINC000020156330 171039484 /nfs/dbraw/zinc/03/94/84/171039484.db2.gz ZNXQWZYOLONGNX-UHFFFAOYSA-N -1 0 290.344 2.139 40 0 CEABRM O=C([O-])c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000020247237 171099885 /nfs/dbraw/zinc/09/98/85/171099885.db2.gz YUNHNCRPZVKCDO-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM COc1cc(Br)c(OC(C)=O)c(C(=O)[O-])c1 ZINC000057340093 175593227 /nfs/dbraw/zinc/59/32/27/175593227.db2.gz RJJPGQWAZRFRGM-UHFFFAOYSA-N -1 0 289.081 2.081 40 0 CEABRM CC(C)(C)OC(=O)N1[C@H]2[C@@H](C[C@H]1C(=O)[O-])[C@@H]2C(F)(F)F ZINC000012506687 278421017 /nfs/dbraw/zinc/42/10/17/278421017.db2.gz AYEFRRLUMIYRFX-XAMCCFCMSA-N -1 0 295.257 2.257 40 0 CEABRM Cc1c([C@H]2N[C@@H](C(=O)[O-])CS2)c2ccccc2n1C ZINC000408809397 301008095 /nfs/dbraw/zinc/00/80/95/301008095.db2.gz GTLHGQIJBIXVAU-MFKMUULPSA-N -1 0 276.361 2.275 40 0 CEABRM Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc31)CC(C(=O)[O-])=N2 ZINC000102334135 302684337 /nfs/dbraw/zinc/68/43/37/302684337.db2.gz VJXPEIBECFVPQU-ZDUSSCGKSA-N -1 0 295.302 2.051 40 0 CEABRM CC(C)OCCCNc1ccc(N)cc1C(=O)[O-] ZINC000382959856 336099745 /nfs/dbraw/zinc/09/97/45/336099745.db2.gz OCRIODXKGRZMDV-UHFFFAOYSA-N -1 0 252.314 2.194 40 0 CEABRM CC(C)[C@H](NC(=O)/C=C/c1ccccc1F)C(=O)[O-] ZINC000033439678 361779654 /nfs/dbraw/zinc/77/96/54/361779654.db2.gz JDXHKPPDKIOQJB-GWJCSSMESA-N -1 0 265.284 2.064 40 0 CEABRM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1 ZINC000008477232 343362704 /nfs/dbraw/zinc/36/27/04/343362704.db2.gz UUJAHRLHRVVNKV-GXDHUFHOSA-N -1 0 298.342 2.399 40 0 CEABRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1 ZINC000008477189 343362886 /nfs/dbraw/zinc/36/28/86/343362886.db2.gz IJUSWZDMOFIISY-GXDHUFHOSA-N -1 0 298.342 2.399 40 0 CEABRM CCOC(=O)C(C(=O)OCC)=C([O-])c1cccc(Cl)c1 ZINC000043502117 343464629 /nfs/dbraw/zinc/46/46/29/343464629.db2.gz HGYKXPIKAPKSPP-UHFFFAOYSA-N -1 0 298.722 2.265 40 0 CEABRM CCCN1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(C(=O)[O-])cc12 ZINC000096530418 344240357 /nfs/dbraw/zinc/24/03/57/344240357.db2.gz KZMYYQCZYVYQPE-NHYWBVRUSA-N -1 0 290.319 2.360 40 0 CEABRM CCOC(=O)c1c(C)nn(-c2ccc(C(=O)[O-])cc2)c1C ZINC000223641215 344543280 /nfs/dbraw/zinc/54/32/80/344543280.db2.gz ABBAFHYDCNCCGA-UHFFFAOYSA-N -1 0 288.303 2.364 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1c1ccccn1 ZINC000409442992 344890170 /nfs/dbraw/zinc/89/01/70/344890170.db2.gz FGEVYVVXQRCVKS-PWSUYJOCSA-N -1 0 292.335 2.464 40 0 CEABRM CCN(CC)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000054008245 362505470 /nfs/dbraw/zinc/50/54/70/362505470.db2.gz YUMYXNLWGRTNRB-MDZDMXLPSA-N -1 0 262.309 2.112 40 0 CEABRM O=C([O-])CC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000005604724 304044063 /nfs/dbraw/zinc/04/40/63/304044063.db2.gz ZVRQAVXLPKCSNL-UHFFFAOYSA-N -1 0 287.315 2.316 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 ZINC000045958567 304097968 /nfs/dbraw/zinc/09/79/68/304097968.db2.gz RKZBRBLGNFGPBM-GFCCVEGCSA-N -1 0 288.347 2.114 40 0 CEABRM O=C([O-])[C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001649310 361213951 /nfs/dbraw/zinc/21/39/51/361213951.db2.gz XZCYDMWCEOPIRU-HUUCEWRRSA-N -1 0 286.283 2.317 40 0 CEABRM COc1cc(C(=O)CCC(=O)[O-])c(OC)c(C)c1C ZINC000001702771 361218556 /nfs/dbraw/zinc/21/85/56/361218556.db2.gz IMUYRBSJPDSANB-UHFFFAOYSA-N -1 0 266.293 2.368 40 0 CEABRM CCCCOC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000001714363 361218937 /nfs/dbraw/zinc/21/89/37/361218937.db2.gz NGZXLZGYCKXIOB-CMDGGOBGSA-N -1 0 291.303 2.223 40 0 CEABRM CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(O)cc1)C(=O)[O-] ZINC000002583021 361242127 /nfs/dbraw/zinc/24/21/27/361242127.db2.gz VVFJCRNSRSSPOW-HNNXBMFYSA-N -1 0 295.335 2.303 40 0 CEABRM COc1ccc(CNC(=O)OC(C)(C)C)c(C(=O)[O-])c1 ZINC000004242190 361306566 /nfs/dbraw/zinc/30/65/66/361306566.db2.gz XTRMAGMXFBLOSB-UHFFFAOYSA-N -1 0 281.308 2.418 40 0 CEABRM O=C([O-])CCCCCN1COc2ccccc2C1=O ZINC000004294458 361310322 /nfs/dbraw/zinc/31/03/22/361310322.db2.gz INYIUMFHXNBYAP-UHFFFAOYSA-N -1 0 263.293 2.124 40 0 CEABRM O=c1cnnc(SCc2nccc3ccccc32)[n-]1 ZINC000016545104 361490429 /nfs/dbraw/zinc/49/04/29/361490429.db2.gz NZTAVBFVAQWFQV-UHFFFAOYSA-N -1 0 270.317 2.418 40 0 CEABRM O=c1c2c([n-]n1-c1ccccc1)c1ccccc1n(O)c2=O ZINC000016523705 361490933 /nfs/dbraw/zinc/49/09/33/361490933.db2.gz KINIHIAYSDJHJZ-UHFFFAOYSA-N -1 0 293.282 2.283 40 0 CEABRM C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000017007555 361502165 /nfs/dbraw/zinc/50/21/65/361502165.db2.gz QWXILJYEEQQOMX-WXHSDQCUSA-N -1 0 276.336 2.150 40 0 CEABRM CCc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000016712053 361496456 /nfs/dbraw/zinc/49/64/56/361496456.db2.gz BOWCVXFRZPSSMB-XFFZJAGNSA-N -1 0 291.328 2.370 40 0 CEABRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000019773381 361551476 /nfs/dbraw/zinc/55/14/76/361551476.db2.gz NUKMWUWMUQVTFL-VWYCJHECSA-N -1 0 299.754 2.148 40 0 CEABRM O=Cc1cn(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000020272132 361583570 /nfs/dbraw/zinc/58/35/70/361583570.db2.gz JTWYXFCOBCLXEH-UHFFFAOYSA-N -1 0 250.641 2.036 40 0 CEABRM Cc1cccc(-n2nc(Br)c(C(=O)[O-])n2)c1 ZINC000089263335 363952338 /nfs/dbraw/zinc/95/23/38/363952338.db2.gz MBISYRGPRSYAJM-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM COc1ccc(CNC(=O)C(C)(C)C)cc1C(=O)[O-] ZINC000237229792 370702792 /nfs/dbraw/zinc/70/27/92/370702792.db2.gz CLRSJVJRUASHHI-UHFFFAOYSA-N -1 0 265.309 2.056 40 0 CEABRM O=C([O-])c1cncn1Cc1ccccc1Br ZINC000098214016 364538125 /nfs/dbraw/zinc/53/81/25/364538125.db2.gz AKIMFIYOMLRPII-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM COCCCNC(=S)Nc1ccc(C(=O)[O-])cc1C ZINC000225154748 189744605 /nfs/dbraw/zinc/74/46/05/189744605.db2.gz HRCVFRGORWZNLT-UHFFFAOYSA-N -1 0 282.365 2.016 40 0 CEABRM CC(C)(C)OC(=O)N1CC(C)(C)C[C@]1(C)C(=O)[O-] ZINC000212973761 370167256 /nfs/dbraw/zinc/16/72/56/370167256.db2.gz ZCXQZEQKNNNNPF-CYBMUJFWSA-N -1 0 257.330 2.497 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000222434614 370254489 /nfs/dbraw/zinc/25/44/89/370254489.db2.gz NEISDTGMCMNXAJ-XUWVNRHRSA-N -1 0 299.370 2.258 40 0 CEABRM Nc1ccc(N2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000216931505 370191948 /nfs/dbraw/zinc/19/19/48/370191948.db2.gz OZDLYCIACHOUJB-UHFFFAOYSA-N -1 0 254.717 2.223 40 0 CEABRM O=C([O-])C(F)(F)[S@](=O)c1nc2ccccc2s1 ZINC000217577440 370198171 /nfs/dbraw/zinc/19/81/71/370198171.db2.gz XICSTRSIORLZQK-QGZVFWFLSA-N -1 0 277.273 2.081 40 0 CEABRM O=C([O-])[C@H]1CCCN1C(=O)OCC(Cl)(Cl)Cl ZINC000071614656 304185295 /nfs/dbraw/zinc/18/52/95/304185295.db2.gz LNKPZNRZPGUAET-RXMQYKEDSA-N -1 0 290.530 2.042 40 0 CEABRM O=C([O-])CCCn1ncc(Br)c1C(F)F ZINC000408716185 375516102 /nfs/dbraw/zinc/51/61/02/375516102.db2.gz JSNBKRWVYLXXRY-UHFFFAOYSA-N -1 0 283.072 2.448 40 0 CEABRM Nc1nn(Cc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000408716733 375516290 /nfs/dbraw/zinc/51/62/90/375516290.db2.gz QITFZRKQPHNTKR-UHFFFAOYSA-N -1 0 286.118 2.349 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000004760279 304210961 /nfs/dbraw/zinc/21/09/61/304210961.db2.gz UWLWOFVQJCZMSN-HTEOGMQZSA-N -1 0 293.269 2.426 40 0 CEABRM O=C([O-])c1nn(-c2ccc(F)cc2)nc1C(F)(F)F ZINC000089263423 304284486 /nfs/dbraw/zinc/28/44/86/304284486.db2.gz WPSGUBXFDXRUIW-UHFFFAOYSA-N -1 0 275.161 2.123 40 0 CEABRM Cc1c(=O)[nH]c(C=CC(Cl)(Cl)Cl)nc1C(=O)[O-] ZINC000017046377 394466259 /nfs/dbraw/zinc/46/62/59/394466259.db2.gz PQNRTEPNOPYKOE-IHWYPQMZSA-N -1 0 297.525 2.160 40 0 CEABRM CCCCOc1ccccc1/C=C/C(=O)NCC(=O)[O-] ZINC000062714936 394570043 /nfs/dbraw/zinc/57/00/43/394570043.db2.gz PURXGRAKAXMTTH-CMDGGOBGSA-N -1 0 277.320 2.080 40 0 CEABRM COc1cc(C(=O)[O-])nn1-c1ccc(Br)cc1 ZINC000072209299 394592080 /nfs/dbraw/zinc/59/20/80/394592080.db2.gz BBAQOKRFHUCEPU-UHFFFAOYSA-N -1 0 297.108 2.342 40 0 CEABRM C[C@@H](c1cccc(Cl)c1)n1cc(C(=O)[O-])nn1 ZINC000096510215 394693372 /nfs/dbraw/zinc/69/33/72/394693372.db2.gz FSJJNRPAUUMIIW-ZETCQYMHSA-N -1 0 251.673 2.239 40 0 CEABRM CCC(=C([O-])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096518079 394694938 /nfs/dbraw/zinc/69/49/38/394694938.db2.gz GTMZTYNIPUSDOU-LBPRGKRZSA-N -1 0 254.351 2.391 40 0 CEABRM O=C([O-])[C@@H]1CCCC(=O)N1Cc1cccc(Cl)c1 ZINC000409428166 395304380 /nfs/dbraw/zinc/30/43/80/395304380.db2.gz LZBFICIPNPHTBU-NSHDSACASA-N -1 0 267.712 2.306 40 0 CEABRM CC[C@@H](C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000006933995 286794731 /nfs/dbraw/zinc/79/47/31/286794731.db2.gz YKCGDGCCAXYKJI-WRWGMCAJSA-N -1 0 270.373 2.364 40 0 CEABRM O=C([O-])CS(=O)(=O)C(c1ccccc1)c1ccccc1 ZINC000001704441 169745617 /nfs/dbraw/zinc/74/56/17/169745617.db2.gz XTXZDQKYJIHOMB-UHFFFAOYSA-N -1 0 290.340 2.275 40 0 in-vitro CEABRM CCCSCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000005785336 170140218 /nfs/dbraw/zinc/14/02/18/170140218.db2.gz QMKFTLSMZVWWSF-LBPRGKRZSA-N -1 0 281.377 2.403 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCC[C@@H]2C)cc1 ZINC000005814645 170142576 /nfs/dbraw/zinc/14/25/76/170142576.db2.gz WHRYSDFMRZTUIO-LBPRGKRZSA-N -1 0 296.392 2.268 40 0 CEABRM CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)CC(=O)[O-] ZINC000008580724 170341843 /nfs/dbraw/zinc/34/18/43/170341843.db2.gz LRWQNWWCMOMPGM-XFFZJAGNSA-N -1 0 294.303 2.125 40 0 CEABRM O=C([O-])c1ccc(CNC(=O)c2cccnc2Cl)cc1 ZINC000013166203 170538155 /nfs/dbraw/zinc/53/81/55/170538155.db2.gz GTLVLPQEAIVYGK-UHFFFAOYSA-N -1 0 290.706 2.363 40 0 CEABRM O=C([O-])Cc1c[nH]c(=S)n(-c2cccc(Cl)c2)c1=O ZINC000020156335 171039561 /nfs/dbraw/zinc/03/95/61/171039561.db2.gz SKTUBSPGNYIVMO-UHFFFAOYSA-N -1 0 296.735 2.176 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)[O-])C1 ZINC000071244359 176095182 /nfs/dbraw/zinc/09/51/82/176095182.db2.gz UZJNJAMJSKLINB-FGEFZZPRSA-N -1 0 255.314 2.274 40 0 CEABRM CCCCOc1ccc(C2=NO[C@@H](C(=O)[O-])C2)cc1 ZINC000071980977 176307879 /nfs/dbraw/zinc/30/78/79/176307879.db2.gz HDQNNMGTIVCIDE-CYBMUJFWSA-N -1 0 263.293 2.443 40 0 CEABRM CCOc1ccc2nc(N(C)CC(=O)[O-])sc2c1 ZINC000074934175 176637157 /nfs/dbraw/zinc/63/71/57/176637157.db2.gz JSXKFWMTFVGDSD-UHFFFAOYSA-N -1 0 266.322 2.216 40 0 CEABRM CSc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1 ZINC000078404259 177338377 /nfs/dbraw/zinc/33/83/77/177338377.db2.gz SSXKWRSBQOBOJP-UHFFFAOYSA-N -1 0 290.344 2.094 40 0 CEABRM CCOC(=O)[C@H]1CCCCN1c1cccc(C(=O)[O-])c1 ZINC000079025858 260302340 /nfs/dbraw/zinc/30/23/40/260302340.db2.gz CNQYRIUFQOWTDI-CYBMUJFWSA-N -1 0 277.320 2.307 40 0 CEABRM CC1(C)CC(=O)c2c([O-])c3ccc(=O)oc3cc2O1 ZINC000005734433 278186245 /nfs/dbraw/zinc/18/62/45/278186245.db2.gz XFSINVCSJTYZGH-UHFFFAOYSA-N -1 0 260.245 2.242 40 0 biogenic,in-vitro CEABRM CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000034131316 278378041 /nfs/dbraw/zinc/37/80/41/278378041.db2.gz RRRWAYWNXBSUFV-RTBKNWGFSA-N -1 0 255.314 2.249 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2C(=O)[O-])C1 ZINC000306145538 278413657 /nfs/dbraw/zinc/41/36/57/278413657.db2.gz IDCSHSTTWUYEMK-TVQRCGJNSA-N -1 0 255.314 2.108 40 0 CEABRM CC(C)C[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000013577166 278998923 /nfs/dbraw/zinc/99/89/23/278998923.db2.gz DDYBXINYRTUYJT-SDDRHHMPSA-N -1 0 270.373 2.364 40 0 CEABRM COc1ccccc1C1(CC(=O)[O-])CCOCC1 ZINC000041305584 295356438 /nfs/dbraw/zinc/35/64/38/295356438.db2.gz WMMAXRHTRYQFEU-UHFFFAOYSA-N -1 0 250.294 2.218 40 0 CEABRM O=C([O-])c1cccn(CCCc2cccc(F)c2)c1=O ZINC000225791786 333182320 /nfs/dbraw/zinc/18/23/20/333182320.db2.gz GKCWZFBEVWPLEE-UHFFFAOYSA-N -1 0 275.279 2.318 40 0 CEABRM COc1cc2nc(C)cc(OCC(=O)[O-])c2cc1OC ZINC000062718743 523063335 /nfs/dbraw/zinc/06/33/35/523063335.db2.gz FBHFRISXUWBOKS-UHFFFAOYSA-N -1 0 277.276 2.024 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000049466701 523946812 /nfs/dbraw/zinc/94/68/12/523946812.db2.gz IFJRKZCHMSSLGN-PSOPSSQASA-N -1 0 291.347 2.468 40 0 CEABRM Cc1cccc(NC(=O)[C@@H](C)[N-]C(=O)C(F)(F)F)c1 ZINC000408720495 538777725 /nfs/dbraw/zinc/77/77/25/538777725.db2.gz ROTDGOQNBUKSES-MRVPVSSYSA-N -1 0 274.242 2.001 40 0 CEABRM CCN1c2ccc(Cl)cc2OC[C@@H]1CC(=O)[O-] ZINC000409423643 568586064 /nfs/dbraw/zinc/58/60/64/568586064.db2.gz UAKJTUIGHCKLCD-VIFPVBQESA-N -1 0 255.701 2.402 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 ZINC000408637465 230407702 /nfs/dbraw/zinc/40/77/02/230407702.db2.gz KTXIMUDTFILLCW-SNVBAGLBSA-N -1 0 288.328 2.248 40 0 CEABRM CCCn1c2cc(Cl)ccc2nc1S(=O)(=O)[O-] ZINC000095532045 185004631 /nfs/dbraw/zinc/00/46/31/185004631.db2.gz QHJUFNPESHBESU-UHFFFAOYSA-N -1 0 274.729 2.346 40 0 CEABRM O=C([O-])CCCC1=c2cc(F)ccc2=N[C@H]1c1ccccn1 ZINC000063234495 343675322 /nfs/dbraw/zinc/67/53/22/343675322.db2.gz RJTNHFBXXJWWEQ-QGZVFWFLSA-N -1 0 298.317 2.001 40 0 CEABRM CCCN1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(C(=O)[O-])cc12 ZINC000096530420 344240117 /nfs/dbraw/zinc/24/01/17/344240117.db2.gz KZMYYQCZYVYQPE-IAQYHMDHSA-N -1 0 290.319 2.360 40 0 CEABRM CCOC(=O)c1c([O-])c2ccccc2n(C(C)C)c1=O ZINC000149210667 344415009 /nfs/dbraw/zinc/41/50/09/344415009.db2.gz VWAYLBCXPZWYIJ-UHFFFAOYSA-N -1 0 275.304 2.465 40 0 CEABRM O=C([O-])C1(COc2ccc(F)cc2)CCOCC1 ZINC000085390564 179048122 /nfs/dbraw/zinc/04/81/22/179048122.db2.gz HQEWPAIJCCRYAZ-UHFFFAOYSA-N -1 0 254.257 2.086 40 0 CEABRM CC1(C)C[C@@]1(c1ccccc1)[C@]([NH3+])(CCC(=O)[O-])C(=O)[O-] ZINC000064219267 362781067 /nfs/dbraw/zinc/78/10/67/362781067.db2.gz KXQQIVRZTWEXRE-HOTGVXAUSA-N -1 0 291.347 2.001 40 0 CEABRM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2)CCCC1 ZINC000006745001 304032970 /nfs/dbraw/zinc/03/29/70/304032970.db2.gz NMVQYHKJSJCHQU-UHFFFAOYSA-N -1 0 267.712 2.467 40 0 CEABRM O=C([O-])C1CCN(c2cc3c(nn2)CCCCC3)CC1 ZINC000096516135 304041929 /nfs/dbraw/zinc/04/19/29/304041929.db2.gz WULJYAKCCWMYBQ-UHFFFAOYSA-N -1 0 275.352 2.047 40 0 CEABRM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 ZINC000095046755 540162229 /nfs/dbraw/zinc/16/22/29/540162229.db2.gz UCNGOSFNDLTVRC-LLVKDONJSA-N -1 0 297.301 2.363 40 0 CEABRM O=C([O-])CSCC(=O)Nc1ccccc1C(F)(F)F ZINC000002584231 304072518 /nfs/dbraw/zinc/07/25/18/304072518.db2.gz ACWWPURCMUVHDX-UHFFFAOYSA-N -1 0 293.266 2.462 40 0 CEABRM O=C([O-])Cc1cc(Br)c2c(c1)CCCN2 ZINC000217774670 540413006 /nfs/dbraw/zinc/41/30/06/540413006.db2.gz UWXXIZIVVQEJTB-UHFFFAOYSA-N -1 0 270.126 2.434 40 0 CEABRM O=C([O-])Nc1ccc(I)cc1 ZINC000001608593 304092409 /nfs/dbraw/zinc/09/24/09/304092409.db2.gz IUSFWJUDWMNFGP-UHFFFAOYSA-N -1 0 263.034 2.381 40 0 CEABRM COC(=O)c1[nH]c2cccc(OC)c2c1/C=C/C(=O)[O-] ZINC000002527023 361237967 /nfs/dbraw/zinc/23/79/67/361237967.db2.gz OOQHGUAFWCTWSF-VOTSOKGWSA-N -1 0 275.260 2.061 40 0 CEABRM CCS(=O)(=O)C(C)=C([O-])c1ccc(Cl)cc1 ZINC000081907139 363746901 /nfs/dbraw/zinc/74/69/01/363746901.db2.gz KFJPNCAIXBYYTJ-MRVPVSSYSA-N -1 0 260.742 2.346 40 0 CEABRM O=C([O-])[C@@H]1CCCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516137 304110510 /nfs/dbraw/zinc/11/05/10/304110510.db2.gz JCRMVZNOOMJSLN-GFCCVEGCSA-N -1 0 275.352 2.047 40 0 CEABRM CCc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000116937211 365082349 /nfs/dbraw/zinc/08/23/49/365082349.db2.gz QGGLCBNHUALZIK-UHFFFAOYSA-N -1 0 277.349 2.221 40 0 CEABRM CCCn1c(=O)c(C(=O)[O-])cnc1-c1ccccc1 ZINC000217679371 284127650 /nfs/dbraw/zinc/12/76/50/284127650.db2.gz AIMIPOTWBRFHKI-UHFFFAOYSA-N -1 0 258.277 2.019 40 0 CEABRM CCOc1ccccc1OCc1ncc(C(=O)[O-])cn1 ZINC000217380874 370195164 /nfs/dbraw/zinc/19/51/64/370195164.db2.gz QJPHWRGOAPMKCR-UHFFFAOYSA-N -1 0 274.276 2.153 40 0 CEABRM CCOc1cc(Br)cc(C(=O)[O-])c1O ZINC000225281698 370288417 /nfs/dbraw/zinc/28/84/17/370288417.db2.gz BBDMZHYMIDLHNI-UHFFFAOYSA-N -1 0 261.071 2.252 40 0 CEABRM CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000225610471 370308005 /nfs/dbraw/zinc/30/80/05/370308005.db2.gz YLVCROYUHZSKSG-HNNXBMFYSA-N -1 0 295.335 2.294 40 0 CEABRM COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c(F)c1 ZINC000234948610 370550853 /nfs/dbraw/zinc/55/08/53/370550853.db2.gz ZGFJGKFVPONGKP-RNCFNFMXSA-N -1 0 295.310 2.160 40 0 CEABRM O=C([O-])[C@H]1COc2cccc(Br)c2C1 ZINC000090693684 304201304 /nfs/dbraw/zinc/20/13/04/304201304.db2.gz QNWFRNVPPKGIBY-ZCFIWIBFSA-N -1 0 257.083 2.085 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCc2ccccc21 ZINC000004184623 304211268 /nfs/dbraw/zinc/21/12/68/304211268.db2.gz SAHFHPVONYLTHW-OSRDXIQISA-N -1 0 283.327 2.099 40 0 CEABRM O=C([O-])c1cnc(COc2ccc(Cl)cc2)nc1 ZINC000026505796 304277088 /nfs/dbraw/zinc/27/70/88/304277088.db2.gz GRDNOZOAEUGAMZ-UHFFFAOYSA-N -1 0 264.668 2.407 40 0 CEABRM COc1nn(C)c2ccc(SCCC(=O)[O-])cc12 ZINC000225774396 533298380 /nfs/dbraw/zinc/29/83/80/533298380.db2.gz NNVCZBCQRLHFJK-UHFFFAOYSA-N -1 0 266.322 2.149 40 0 CEABRM C[C@@H](c1ccc(Cl)cc1)n1cc(C(=O)[O-])nn1 ZINC000096510213 394693231 /nfs/dbraw/zinc/69/32/31/394693231.db2.gz UQXROFMETQPITJ-ZETCQYMHSA-N -1 0 251.673 2.239 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N(CC2CC2)[C@H]1c1ccccc1 ZINC000096515678 394694443 /nfs/dbraw/zinc/69/44/43/394694443.db2.gz NSBRIVDIZLWVHA-HIFRSBDPSA-N -1 0 273.332 2.461 40 0 CEABRM CCC(=C([O-])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096518082 394694896 /nfs/dbraw/zinc/69/48/96/394694896.db2.gz VGWIGIZLYTXPBN-LLVKDONJSA-N -1 0 258.314 2.222 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@H](c1cccc(F)c1)C2 ZINC000096530383 394698164 /nfs/dbraw/zinc/69/81/64/394698164.db2.gz DMAJZORHQLDCFD-NSHDSACASA-N -1 0 275.283 2.450 40 0 CEABRM C[C@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004179198 299752699 /nfs/dbraw/zinc/75/26/99/299752699.db2.gz UKKWDQAREXKONO-TUAOUCFPSA-N -1 0 251.326 2.054 40 0 CEABRM COC(=O)[C@H](CC(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000001708526 169747262 /nfs/dbraw/zinc/74/72/62/169747262.db2.gz SIEYAZMHRJHSEX-BXKDBHETSA-N -1 0 266.293 2.063 40 0 CEABRM O=C([O-])CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000005567895 170114713 /nfs/dbraw/zinc/11/47/13/170114713.db2.gz QFCBWWCKDFPOBZ-UHFFFAOYSA-N -1 0 276.119 2.474 40 0 CEABRM CC(C)CC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000005842682 170145696 /nfs/dbraw/zinc/14/56/96/170145696.db2.gz GUCAPQJTDFZMST-UHFFFAOYSA-N -1 0 280.349 2.244 40 0 CEABRM COc1ccc(-c2ncc(/C=C/C(=O)[O-])cn2)cc1OC ZINC000008731001 170351066 /nfs/dbraw/zinc/35/10/66/170351066.db2.gz UJHYTKPHXULVDC-ZZXKWVIFSA-N -1 0 286.287 2.259 40 0 CEABRM CCc1[n-]n2c(nc(C)c(CCO)c2=O)c1-c1ccccc1 ZINC000009935426 170391128 /nfs/dbraw/zinc/39/11/28/170391128.db2.gz IOKZWVMKKSSHQE-UHFFFAOYSA-N -1 0 297.358 2.095 40 0 CEABRM O=C([O-])c1cc2ccccc2n1CC(=O)N1CCCCC1 ZINC000020074743 170984279 /nfs/dbraw/zinc/98/42/79/170984279.db2.gz SUVPXZNQYZWLSO-UHFFFAOYSA-N -1 0 286.331 2.352 40 0 CEABRM CC(C)[C@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000020304994 171142043 /nfs/dbraw/zinc/14/20/43/171142043.db2.gz PORCDMZBKKNNEH-JTQLQIEISA-N -1 0 287.262 2.127 40 0 CEABRM O=C([O-])c1cc(NC(=O)c2cccnc2Cl)ccc1O ZINC000020436591 171201857 /nfs/dbraw/zinc/20/18/57/171201857.db2.gz WQTCYPDPKJNXSH-UHFFFAOYSA-N -1 0 292.678 2.391 40 0 CEABRM CCOC(=O)c1cccc(NC=C2SC([O-])=NC2=O)c1 ZINC000036636139 172643743 /nfs/dbraw/zinc/64/37/43/172643743.db2.gz RZDKQSQKKRSIEA-YFHOEESVSA-N -1 0 292.316 2.100 40 0 CEABRM COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-] ZINC000071792694 176263516 /nfs/dbraw/zinc/26/35/16/176263516.db2.gz ZOXKNVCXIKCYPF-GZZJDILISA-N -1 0 287.315 2.157 40 0 CEABRM CC(C)(C)OC(=O)N1CC(F)(F)CC[C@H]1C(=O)[O-] ZINC000095933268 278379149 /nfs/dbraw/zinc/37/91/49/278379149.db2.gz LOIFBZRYZNAAAU-ZETCQYMHSA-N -1 0 265.256 2.106 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H]2C(=O)[O-])C1 ZINC000306145489 278397164 /nfs/dbraw/zinc/39/71/64/278397164.db2.gz GQGNNAJDLFBKIP-YGRLFVJLSA-N -1 0 269.341 2.498 40 0 CEABRM Cc1cc(F)ccc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000235400776 301309985 /nfs/dbraw/zinc/30/99/85/301309985.db2.gz AMHVXUFGFQASLL-RNCFNFMXSA-N -1 0 279.311 2.459 40 0 CEABRM Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004728965 302106002 /nfs/dbraw/zinc/10/60/02/302106002.db2.gz NACSDXKETBDIMH-XWUBHJNHSA-N -1 0 271.316 2.456 40 0 CEABRM Cc1nc(N2CCC[C@@H](C(=O)[O-])C2)cc(C(F)(F)F)n1 ZINC000096516879 302598481 /nfs/dbraw/zinc/59/84/81/302598481.db2.gz YFXXVIFOUBJJMM-MRVPVSSYSA-N -1 0 289.257 2.105 40 0 CEABRM Cn1nc(OCC(F)(F)F)c2ccc(C(=O)[O-])cc21 ZINC000225773136 230399767 /nfs/dbraw/zinc/39/97/67/230399767.db2.gz BEBYCTOESPSOIB-UHFFFAOYSA-N -1 0 274.198 2.213 40 0 CEABRM COc1ccc(Cl)cc1[C@H]1NC[C@@H](C(=O)[O-])S1 ZINC000005558967 343354842 /nfs/dbraw/zinc/35/48/42/343354842.db2.gz HCLGERQWCBMYNR-UWVGGRQHSA-N -1 0 273.741 2.137 40 0 CEABRM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000049466573 362363786 /nfs/dbraw/zinc/36/37/86/362363786.db2.gz NPCCIBUYZHLRMP-JSGCOSHPSA-N -1 0 261.321 2.461 40 0 CEABRM CCc1ncc(C(=O)[O-])c(NCc2ccccc2)n1 ZINC000049469776 362365281 /nfs/dbraw/zinc/36/52/81/362365281.db2.gz BJNGANVEMIREAW-UHFFFAOYSA-N -1 0 257.293 2.349 40 0 CEABRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)OCc2ccccc2)C1 ZINC000097759079 344245926 /nfs/dbraw/zinc/24/59/26/344245926.db2.gz SOYXQVSBDHHRLV-DGCLKSJQSA-N -1 0 277.320 2.366 40 0 CEABRM CC(C)(C)OC(=O)N1CC(F)(F)C[C@](F)(C(=O)[O-])C1 ZINC000110916147 344270251 /nfs/dbraw/zinc/27/02/51/344270251.db2.gz AHMNVTBWLXQFFX-SNVBAGLBSA-N -1 0 283.246 2.055 40 0 CEABRM O=C([O-])c1ccc2nnc(-c3ccccc3F)n2c1 ZINC000052125311 362467401 /nfs/dbraw/zinc/46/74/01/362467401.db2.gz ZIURGGVQRXCRCH-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM Cc1cccc(C)c1OCc1ncc(C(=O)[O-])cn1 ZINC000058042357 362606185 /nfs/dbraw/zinc/60/61/85/362606185.db2.gz PORTWGSDWONZPN-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM CC(C)Oc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1 ZINC000085394666 179049136 /nfs/dbraw/zinc/04/91/36/179049136.db2.gz SPVVCNOFOVOIBN-YPMHNXCESA-N -1 0 264.277 2.163 40 0 CEABRM CCCOc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC ZINC000085394831 179049371 /nfs/dbraw/zinc/04/93/71/179049371.db2.gz UGSUGNKWGJXNEF-YGRLFVJLSA-N -1 0 294.303 2.173 40 0 CEABRM CC1(C)CC(=O)C(=C([O-])CC[C@@H]2CCCO2)C(=O)C1 ZINC000104832472 186027169 /nfs/dbraw/zinc/02/71/69/186027169.db2.gz YLHBEAJTTYGVDN-JTQLQIEISA-N -1 0 266.337 2.089 40 0 CEABRM O=C([O-])/C=C\c1cc2cccc3c2n(c1=O)CCC3 ZINC000033364651 304024079 /nfs/dbraw/zinc/02/40/79/304024079.db2.gz JXLXOIXOMHOAGJ-SREVYHEPSA-N -1 0 255.273 2.046 40 0 CEABRM CCCN(c1cc(OC)ccc1OC)[C@@H](C)C(=O)[O-] ZINC000225001056 283308402 /nfs/dbraw/zinc/30/84/02/283308402.db2.gz VKCJXSFZQAMHFK-JTQLQIEISA-N -1 0 267.325 2.393 40 0 CEABRM COc1ccc(CNC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000000807006 361192117 /nfs/dbraw/zinc/19/21/17/361192117.db2.gz VQZFJJPVWRKWIV-UHFFFAOYSA-N -1 0 289.331 2.267 40 0 CEABRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000792441 361192327 /nfs/dbraw/zinc/19/23/27/361192327.db2.gz YITVJXFWSUWZEJ-UHFFFAOYSA-N -1 0 279.365 2.146 40 0 CEABRM C=C=C[C@](NC(=O)c1ccccc1)(C(=O)[O-])C(F)(F)F ZINC000001622273 361212914 /nfs/dbraw/zinc/21/29/14/361212914.db2.gz GZCTUAHLWGSBBV-LBPRGKRZSA-N -1 0 285.221 2.143 40 0 CEABRM O=C([O-])c1cc(C(=O)CNc2ccccc2)ccc1O ZINC000001746902 361221109 /nfs/dbraw/zinc/22/11/09/361221109.db2.gz QPDKLUVLGUEJME-UHFFFAOYSA-N -1 0 271.272 2.385 40 0 CEABRM CC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000002582958 361242682 /nfs/dbraw/zinc/24/26/82/361242682.db2.gz QAYDBLPDKAGEFQ-UHFFFAOYSA-N -1 0 253.254 2.437 40 0 in-vitro CEABRM COc1ccc(O)c(C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000003669325 361288509 /nfs/dbraw/zinc/28/85/09/361288509.db2.gz DUEXYVVZAVQMHZ-UHFFFAOYSA-N -1 0 272.256 2.330 40 0 CEABRM Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004197521 361305473 /nfs/dbraw/zinc/30/54/73/361305473.db2.gz UYHDXLHSMBTREL-BARDWOONSA-N -1 0 285.343 2.134 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557170 363769831 /nfs/dbraw/zinc/76/98/31/363769831.db2.gz GNGVCLGQCJEPOE-SNVBAGLBSA-N -1 0 283.246 2.261 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000013320683 361425323 /nfs/dbraw/zinc/42/53/23/361425323.db2.gz IRBSKFHBNRYZPR-CRWXNKLISA-N -1 0 279.380 2.430 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000013466131 361427482 /nfs/dbraw/zinc/42/74/82/361427482.db2.gz WXBYICHGFLMFPY-GHSKTYPESA-N -1 0 297.314 2.024 40 0 CEABRM O=C1[N-]S(=O)(=O)c2ccccc2N1c1ccccc1 ZINC000015443489 361473640 /nfs/dbraw/zinc/47/36/40/361473640.db2.gz SGKKOZFGCJFFQU-UHFFFAOYSA-N -1 0 274.301 2.441 40 0 CEABRM CC(=O)c1c([O-])cc(C)n(-c2cc(C)ccc2O)c1=O ZINC000016769712 361498113 /nfs/dbraw/zinc/49/81/13/361498113.db2.gz FJSHXZYJEOHEMV-UHFFFAOYSA-N -1 0 273.288 2.068 40 0 CEABRM CCOC(=O)/C(=C\c1cccc(OC)c1OC)CC(=O)[O-] ZINC000017062075 361503678 /nfs/dbraw/zinc/50/36/78/361503678.db2.gz XHDFWAWWXQJVTO-FLIBITNWSA-N -1 0 294.303 2.125 40 0 CEABRM O=C([O-])C1(C[C@@H]2CC(c3ccccc3)=NO2)CCOCC1 ZINC000019369840 361530079 /nfs/dbraw/zinc/53/00/79/361530079.db2.gz RWCFKJVKXQQMBX-ZDUSSCGKSA-N -1 0 289.331 2.451 40 0 CEABRM Cc1ccc(-c2cnn3c2nnc(C(=O)[O-])c3C)cc1 ZINC000020394015 361583464 /nfs/dbraw/zinc/58/34/64/361583464.db2.gz INKGDBOWKSUSAJ-UHFFFAOYSA-N -1 0 268.276 2.106 40 0 CEABRM COc1ccc(O)c(C(=O)C=C([O-])c2ccncc2)c1 ZINC000100348302 364543994 /nfs/dbraw/zinc/54/39/94/364543994.db2.gz AJSWGSKMJUOPPO-UHFFFAOYSA-N -1 0 271.272 2.252 40 0 CEABRM O=C1N=C(c2ccccc2)OC1=C([O-])c1ccccc1 ZINC000100492498 364546565 /nfs/dbraw/zinc/54/65/65/364546565.db2.gz METLMJXTPCQNPN-CQSZACIVSA-N -1 0 265.268 2.242 40 0 CEABRM COc1cc(CC(=S)C(=O)[O-])cc(OC)c1OC ZINC000104085054 364675500 /nfs/dbraw/zinc/67/55/00/364675500.db2.gz XXDLJJIHRZCXLC-POHAHGRESA-N -1 0 270.306 2.068 40 0 CEABRM CCOC(=O)C1=C(C)NC(C(=O)[O-])=C[C@@H]1c1ccccc1 ZINC000104347274 364693711 /nfs/dbraw/zinc/69/37/11/364693711.db2.gz ZFARVPXUSSXBTA-GFCCVEGCSA-N -1 0 287.315 2.179 40 0 CEABRM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccncc2)N1 ZINC000001507710 304151243 /nfs/dbraw/zinc/15/12/43/304151243.db2.gz GSKJQFXGSBOGKF-LSDHHAIUSA-N -1 0 293.326 2.251 40 0 CEABRM O=C([O-])CSc1ccc2c(c1)CCC(=O)N2CCF ZINC000218800172 370213060 /nfs/dbraw/zinc/21/30/60/370213060.db2.gz JHUUEUKKIHXKSO-UHFFFAOYSA-N -1 0 283.324 2.112 40 0 CEABRM O=C([O-])c1ccccc1NC(=S)NCc1ccco1 ZINC000225154454 370286958 /nfs/dbraw/zinc/28/69/58/370286958.db2.gz SRQWVKQNPLOALF-UHFFFAOYSA-N -1 0 276.317 2.464 40 0 CEABRM Cc1nc([C@H]2CN(c3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257251798 371611278 /nfs/dbraw/zinc/61/12/78/371611278.db2.gz JSHIFSCAIWOZDM-CQSZACIVSA-N -1 0 271.320 2.069 40 0 CEABRM O=C([O-])[C@H]1CC(=O)O[C@H]1c1cccc(Br)c1 ZINC000085393330 304175097 /nfs/dbraw/zinc/17/50/97/304175097.db2.gz FSZXXWCBODRVKI-WPRPVWTQSA-N -1 0 285.093 2.138 40 0 CEABRM Nc1nn(Cc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000408716368 375516143 /nfs/dbraw/zinc/51/61/43/375516143.db2.gz LZSHYCIIMNLPMD-UHFFFAOYSA-N -1 0 286.118 2.349 40 0 CEABRM Cc1nc2cc(NC(=O)N=c3[n-]ncs3)ccc2o1 ZINC000409126643 375520598 /nfs/dbraw/zinc/52/05/98/375520598.db2.gz MAGJRVSJYKKXQP-UHFFFAOYSA-N -1 0 275.293 2.054 40 0 CEABRM Nc1nc(C2CCCCC2)c(Br)c(=O)[n-]1 ZINC000016939691 295366202 /nfs/dbraw/zinc/36/62/02/295366202.db2.gz LCACPMXUURVVTR-UHFFFAOYSA-N -1 0 272.146 2.162 40 0 CEABRM O=C([O-])c1cc(Cl)c(Cl)c(-n2cnnc2)c1 ZINC000070461730 304224376 /nfs/dbraw/zinc/22/43/76/304224376.db2.gz PBUSBGFYCPBYEO-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 ZINC000016946286 304230460 /nfs/dbraw/zinc/23/04/60/304230460.db2.gz WYTCLQMSZDUPPT-UHFFFAOYSA-N -1 0 267.240 2.187 40 0 CEABRM O=C([O-])c1cnc(-c2ccccc2)nc1N1CCCC1 ZINC000021367788 304275215 /nfs/dbraw/zinc/27/52/15/304275215.db2.gz NXPVQYDRQVGLQD-UHFFFAOYSA-N -1 0 269.304 2.442 40 0 CEABRM COc1ccc(S(=O)(=O)C=C([O-])c2ccccc2)cc1 ZINC000081906927 177889211 /nfs/dbraw/zinc/88/92/11/177889211.db2.gz YQDRUNLVRYYCFQ-UHFFFAOYSA-N -1 0 290.340 2.352 40 0 CEABRM Cc1ccc(OCc2snnc2C(=O)[O-])cc1 ZINC000072221242 256706741 /nfs/dbraw/zinc/70/67/41/256706741.db2.gz GUDTVULYUJIQCL-UHFFFAOYSA-N -1 0 250.279 2.124 40 0 CEABRM O=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)n1 ZINC000082567744 304279916 /nfs/dbraw/zinc/27/99/16/304279916.db2.gz XSOHVYBCQGRINU-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])c1ccc2c(c1)[nH]c(=S)n(-c1cccnc1)c2=O ZINC000015424392 394467125 /nfs/dbraw/zinc/46/71/25/394467125.db2.gz BXTWEUYRTRVQGX-UHFFFAOYSA-N -1 0 299.311 2.141 40 0 CEABRM CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C\C(=O)[O-])C2 ZINC000059811580 394566537 /nfs/dbraw/zinc/56/65/37/394566537.db2.gz BITUSFVRXSZURD-WZMMYAEUSA-N -1 0 252.310 2.385 40 0 CEABRM COCCOc1cc2oc(=O)c(C(=O)[O-])cc2cc1Cl ZINC000072219778 394594218 /nfs/dbraw/zinc/59/42/18/394594218.db2.gz XQCKYNGSEALYDP-UHFFFAOYSA-N -1 0 298.678 2.170 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H]1c1nocc1C(=O)[O-] ZINC000072207748 394590967 /nfs/dbraw/zinc/59/09/67/394590967.db2.gz NLOCDNOSIUPPJQ-VIFPVBQESA-N -1 0 282.296 2.445 40 0 CEABRM CCOC(=O)c1[n-]n(-c2ccccc2C)c(=O)c1C ZINC000072209302 394592098 /nfs/dbraw/zinc/59/20/98/394592098.db2.gz RLGYEQCGSJOXHF-UHFFFAOYSA-N -1 0 260.293 2.371 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccc(C(F)F)cc1 ZINC000096517630 394694904 /nfs/dbraw/zinc/69/49/04/394694904.db2.gz BUZKWJITFDRRLY-JTQLQIEISA-N -1 0 269.247 2.200 40 0 CEABRM O=C([O-])[C@@H]1CCCC(=O)N1Cc1ccc(Cl)cc1 ZINC000409427289 395304301 /nfs/dbraw/zinc/30/43/01/395304301.db2.gz IUMVJMVBOVSETQ-NSHDSACASA-N -1 0 267.712 2.306 40 0 CEABRM CC(C)[C@@H]1CC[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000242649315 400315351 /nfs/dbraw/zinc/31/53/51/400315351.db2.gz SAOZGDGRXDWELD-TVQRCGJNSA-N -1 0 257.330 2.401 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]C(=S)N2CCCCC2)cc1 ZINC000005375773 170091315 /nfs/dbraw/zinc/09/13/15/170091315.db2.gz MGNLNMVOFNQKIA-UHFFFAOYSA-N -1 0 298.433 2.044 40 0 CEABRM CCOC(=O)c1cc(=O)c2c(OC)ccc(Cl)c2[n-]1 ZINC000005479557 170103478 /nfs/dbraw/zinc/10/34/78/170103478.db2.gz UYINNFWUGYTKJJ-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM Cc1cc(C)cc(OCc2nnc(SCC(=O)[O-])o2)c1 ZINC000005679695 170127594 /nfs/dbraw/zinc/12/75/94/170127594.db2.gz BKKNTVPJNCIQCI-UHFFFAOYSA-N -1 0 294.332 2.442 40 0 CEABRM CC(C)Cc1ccc([C@H](C)C(=O)[N-]S(C)(=O)=O)cc1 ZINC000013646044 170572757 /nfs/dbraw/zinc/57/27/57/170572757.db2.gz KQDRVXQXKZXMHP-NSHDSACASA-N -1 0 283.393 2.064 40 0 CEABRM CC(C)CCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000020136761 171024572 /nfs/dbraw/zinc/02/45/72/171024572.db2.gz LTPZLQKFSABUQA-UHFFFAOYSA-N -1 0 251.282 2.465 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)[O-])CC1 ZINC000072208005 176342905 /nfs/dbraw/zinc/34/29/05/176342905.db2.gz UMIGTGMFRRGQCV-SNAWJCMRSA-N -1 0 255.314 2.274 40 0 CEABRM O=C([O-])c1nn(CC2CCC(O)CC2)c2ccccc21 ZINC000299817346 419473287 /nfs/dbraw/zinc/47/32/87/419473287.db2.gz XMHBGLQLPWENIV-UHFFFAOYSA-N -1 0 274.320 2.286 40 0 in-vitro CEABRM CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)[O-])C2)C1 ZINC000098091074 278385212 /nfs/dbraw/zinc/38/52/12/278385212.db2.gz RSPVHRACIRZAAF-UHFFFAOYSA-N -1 0 269.341 2.498 40 0 CEABRM CC(C)c1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000050102998 280585614 /nfs/dbraw/zinc/58/56/14/280585614.db2.gz FSDYTMUWSDHROY-UHFFFAOYSA-N -1 0 258.277 2.259 40 0 CEABRM Nc1cc2nn(-c3ccc(C(=O)[O-])cc3)nc2cc1Cl ZINC000020156632 303494460 /nfs/dbraw/zinc/49/44/60/303494460.db2.gz DAFDITHMPMZAPO-UHFFFAOYSA-N -1 0 288.694 2.354 40 0 CEABRM CCN(c1cc(OC)ccc1OC)[C@H](C)C(=O)[O-] ZINC000260679495 328007068 /nfs/dbraw/zinc/00/70/68/328007068.db2.gz PFXUVWJSGIGQJP-SECBINFHSA-N -1 0 253.298 2.003 40 0 CEABRM O=C([O-])CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O ZINC000033558944 534492397 /nfs/dbraw/zinc/49/23/97/534492397.db2.gz BTWVFWOZQFJEGZ-YFHOEESVSA-N -1 0 295.291 2.337 40 0 CEABRM CCCc1nn2c([n-]1)nc(-c1ccccc1OC)cc2=O ZINC000017009203 528756187 /nfs/dbraw/zinc/75/61/87/528756187.db2.gz NOYLBCUDOZAMCC-UHFFFAOYSA-N -1 0 284.319 2.046 40 0 CEABRM O=C([O-])CCC(=O)c1cc(Br)ccc1O ZINC000034080121 361787578 /nfs/dbraw/zinc/78/75/78/361787578.db2.gz DXUKMWDLADQPDR-UHFFFAOYSA-N -1 0 273.082 2.202 40 0 CEABRM Cc1ccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)c(C)c1 ZINC000036635194 361849751 /nfs/dbraw/zinc/84/97/51/361849751.db2.gz IDFBNVMZXOXIAL-SNVBAGLBSA-N -1 0 279.317 2.347 40 0 CEABRM CCc1nc(SC(=Cc2ccc(O)cc2)C(=O)[O-])n[nH]1 ZINC000007342432 343358911 /nfs/dbraw/zinc/35/89/11/343358911.db2.gz JVUZVJGRHDKGMD-YFHOEESVSA-N -1 0 291.332 2.291 40 0 CEABRM Cc1nnc(SC(=Cc2cc(C)n(C)c2C)C(=O)[O-])[nH]1 ZINC000008334103 343362459 /nfs/dbraw/zinc/36/24/59/343362459.db2.gz LLUDMLWVOKTCLB-WDZFZDKYSA-N -1 0 292.364 2.286 40 0 CEABRM CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC(=O)[O-])C2 ZINC000085398896 344094826 /nfs/dbraw/zinc/09/48/26/344094826.db2.gz MGHLAZREQORMKV-INTQDDNPSA-N -1 0 277.158 2.166 40 0 CEABRM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC2(CCC2)C1 ZINC000144075857 344406929 /nfs/dbraw/zinc/40/69/29/344406929.db2.gz ZKKOIGGBKLNBKZ-UHFFFAOYSA-N -1 0 255.314 2.299 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000168294827 344480527 /nfs/dbraw/zinc/48/05/27/344480527.db2.gz HMHPNGIAUZMOMU-VIFPVBQESA-N -1 0 289.209 2.165 40 0 CEABRM CN1C(=O)[C@H]2CC=CC[C@@]2(C(=O)[O-])[C@H]1c1ccccc1 ZINC000004759701 530046346 /nfs/dbraw/zinc/04/63/46/530046346.db2.gz SKNILECKEROAPM-IOASZLSFSA-N -1 0 271.316 2.237 40 0 CEABRM Cc1c(I)cccc1CC(=O)[O-] ZINC000204335954 300971710 /nfs/dbraw/zinc/97/17/10/300971710.db2.gz GBZDCTCZIOBMJR-UHFFFAOYSA-N -1 0 276.073 2.227 40 0 CEABRM COc1cccc(-n2nc(C)c(CC(=O)[O-])c2C)c1 ZINC000057546898 362583726 /nfs/dbraw/zinc/58/37/26/362583726.db2.gz IYEWACRPZMOFHD-UHFFFAOYSA-N -1 0 260.293 2.125 40 0 CEABRM [O-]c1cnc(Cl)cc1I ZINC000071624212 363110332 /nfs/dbraw/zinc/11/03/32/363110332.db2.gz CXHOJLOLUDOQIT-UHFFFAOYSA-N -1 0 255.442 2.045 40 0 CEABRM O=C([O-])C1=Cc2cccc(Br)c2OC1 ZINC000090685501 304036088 /nfs/dbraw/zinc/03/60/88/304036088.db2.gz REMJHKGWSWFEBJ-UHFFFAOYSA-N -1 0 255.067 2.310 40 0 CEABRM CCn1c(SCC(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC000000526896 361183001 /nfs/dbraw/zinc/18/30/01/361183001.db2.gz KJKZQPGZRIVHAN-UHFFFAOYSA-N -1 0 298.389 2.271 40 0 CEABRM Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2[O-])n1 ZINC000001277750 361199655 /nfs/dbraw/zinc/19/96/55/361199655.db2.gz GNJOEZMYOKHGRS-UHFFFAOYSA-N -1 0 298.346 2.326 40 0 CEABRM O=C([O-])CCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000026438985 361639737 /nfs/dbraw/zinc/63/97/37/361639737.db2.gz WRRCERGOXQDVPI-UHFFFAOYSA-N -1 0 268.269 2.239 40 0 CEABRM C[C@H](CO)CCC[C@@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000031159060 361709205 /nfs/dbraw/zinc/70/92/05/361709205.db2.gz ISHXRANDGDVGJS-ZUZCIYMTSA-N -1 0 282.336 2.097 40 0 biogenic,in-vitro CEABRM Cc1nc(CC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cs1 ZINC000101681134 364571178 /nfs/dbraw/zinc/57/11/78/364571178.db2.gz QPPOVVIIUJTAQT-PHIMTYICSA-N -1 0 296.392 2.001 40 0 CEABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCc2ccccc21 ZINC000169295229 304155420 /nfs/dbraw/zinc/15/54/20/304155420.db2.gz SAHFHPVONYLTHW-MYZSUADSSA-N -1 0 283.327 2.099 40 0 CEABRM COc1ccc(/C=C/C(=O)[O-])cc1NC(=S)NC(C)C ZINC000216929921 370191556 /nfs/dbraw/zinc/19/15/56/370191556.db2.gz XVTYHMGOOINASH-FNORWQNLSA-N -1 0 294.376 2.488 40 0 CEABRM O=C([O-])CCSc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000224973172 370283580 /nfs/dbraw/zinc/28/35/80/370283580.db2.gz SPOOQXYODXXKHM-UHFFFAOYSA-N -1 0 267.285 2.178 40 0 CEABRM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000000795426 304169664 /nfs/dbraw/zinc/16/96/64/304169664.db2.gz XKDPYFLXGSXHSW-VXGBXAGGSA-N -1 0 281.283 2.034 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccc1F ZINC000004962527 304211086 /nfs/dbraw/zinc/21/10/86/304211086.db2.gz MFNCECIILNXPSI-PSJXJDHFSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])c1conc1[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000504512031 379073068 /nfs/dbraw/zinc/07/30/68/379073068.db2.gz JKBQXGJBPJMFBC-SNVBAGLBSA-N -1 0 287.193 2.473 40 0 CEABRM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000005043046 296356420 /nfs/dbraw/zinc/35/64/20/296356420.db2.gz JJEIOIDRCVNOLC-WNWFYDSVSA-N -1 0 279.380 2.428 40 0 CEABRM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O ZINC000005584042 304252375 /nfs/dbraw/zinc/25/23/75/304252375.db2.gz MAFDJHNFBOGLCR-UHFFFAOYSA-N -1 0 285.230 2.325 40 0 CEABRM O=C([O-])c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000034776325 304279448 /nfs/dbraw/zinc/27/94/48/304279448.db2.gz JWHSVTCAVUEATP-UHFFFAOYSA-N -1 0 290.275 2.260 40 0 CEABRM O=C([O-])c1cnn(-c2cc(Cl)cc(Cl)c2)n1 ZINC000082567746 304279978 /nfs/dbraw/zinc/27/99/78/304279978.db2.gz MFHDRWRFWHYDKR-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM COc1c(I)cc(C)cc1C(=O)[O-] ZINC000005538626 394457864 /nfs/dbraw/zinc/45/78/64/394457864.db2.gz BERVASXHPREIRI-UHFFFAOYSA-N -1 0 292.072 2.306 40 0 CEABRM COc1cccc(CNCc2ccco2)c1OCC(=O)[O-] ZINC000062716947 394570260 /nfs/dbraw/zinc/57/02/60/394570260.db2.gz IVZPUXXHHAIQQC-UHFFFAOYSA-N -1 0 291.303 2.041 40 0 CEABRM CCCOc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1 ZINC000062715189 394570267 /nfs/dbraw/zinc/57/02/67/394570267.db2.gz JWYSSBAZSMGYLU-JXMROGBWSA-N -1 0 291.347 2.470 40 0 CEABRM CCc1c(C(=O)[O-])n[nH]c1-c1ccc2c(c1)OCCCO2 ZINC000072220428 394594692 /nfs/dbraw/zinc/59/46/92/394594692.db2.gz NEQMMROGROENFX-UHFFFAOYSA-N -1 0 288.303 2.499 40 0 CEABRM C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000225713872 299753393 /nfs/dbraw/zinc/75/33/93/299753393.db2.gz GIGGCSDKOROSIM-NDKCEZKHSA-N -1 0 277.364 2.300 40 0 CEABRM O=C([O-])C[C@@H](c1ccccc1)[C@]1(O)OC(=O)c2ccccc21 ZINC000005901925 170152399 /nfs/dbraw/zinc/15/23/99/170152399.db2.gz ICXMPDPXOXESRP-WMLDXEAASA-N -1 0 298.294 2.261 40 0 CEABRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000006661801 170223756 /nfs/dbraw/zinc/22/37/56/170223756.db2.gz NVZVMVSTQZDUJQ-NEPJUHHUSA-N -1 0 263.293 2.166 40 0 CEABRM CC[C@H](C)Sc1nc2c([nH]1)n(C)c(=O)n(C)c2=S ZINC000008626606 170343425 /nfs/dbraw/zinc/34/34/25/170343425.db2.gz WYQCMHITOCFXFR-LURJTMIESA-N -1 0 284.410 2.220 40 0 CEABRM COc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013166194 170537959 /nfs/dbraw/zinc/53/79/59/170537959.db2.gz PJGJMYXJTDXYOW-UHFFFAOYSA-N -1 0 285.299 2.323 40 0 CEABRM O=C([O-])c1cnn(Cc2c(F)cccc2Cl)c1 ZINC000020314345 171145617 /nfs/dbraw/zinc/14/56/17/171145617.db2.gz WGOTWUUJRWNOKY-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM C[C@H]1CC[C@H]2C(C(=O)[O-])=C[C@H]3[C@@H](O)C(C)(C)C[C@@]231 ZINC000035465671 172213091 /nfs/dbraw/zinc/21/30/91/172213091.db2.gz WBLTVUMJMJIOGQ-YLYWLHNCSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM CCOc1cccc2sc(N3CC(C(=O)[O-])C3)nc21 ZINC000061957903 175659191 /nfs/dbraw/zinc/65/91/91/175659191.db2.gz CQNLMFJOGBAVJZ-UHFFFAOYSA-N -1 0 278.333 2.216 40 0 CEABRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1nccc2ccccc21 ZINC000070524109 175969213 /nfs/dbraw/zinc/96/92/13/175969213.db2.gz CSTIJJSBOPODGD-QWHCGFSZSA-N -1 0 284.315 2.218 40 0 CEABRM C[C@H](n1c([O-])cc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000005880921 299006301 /nfs/dbraw/zinc/00/63/01/299006301.db2.gz OWKJOIDVDLYLTP-HMHCLHNZSA-N -1 0 290.363 2.060 40 0 CEABRM O=C([O-])c1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 ZINC000409195548 261147504 /nfs/dbraw/zinc/14/75/04/261147504.db2.gz QTKPDCFSMHXQBY-UHFFFAOYSA-N -1 0 296.326 2.339 40 0 CEABRM CC(=O)Nc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000006857007 278184505 /nfs/dbraw/zinc/18/45/05/278184505.db2.gz AZILPXGFUCXMPL-UHFFFAOYSA-N -1 0 252.657 2.478 40 0 CEABRM CC[C@H](S[C@](CC)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC000001751947 288149317 /nfs/dbraw/zinc/14/93/17/288149317.db2.gz GOPBSXOHNWRZMU-FZMZJTMJSA-N -1 0 281.377 2.374 40 0 CEABRM CC[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O ZINC000003173778 288378183 /nfs/dbraw/zinc/37/81/83/288378183.db2.gz VBIKHPNZDSUHLR-UONOGXRCSA-N -1 0 286.331 2.477 40 0 CEABRM CCc1ccc(Cl)c2[n-]c(=S)n(N)c(=O)c12 ZINC000255187946 288539536 /nfs/dbraw/zinc/53/95/36/288539536.db2.gz HUZPIOJTJYHDHQ-UHFFFAOYSA-N -1 0 255.730 2.401 40 0 CEABRM Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-] ZINC000002250452 302105756 /nfs/dbraw/zinc/10/57/56/302105756.db2.gz NACSDXKETBDIMH-OIMNJJJWSA-N -1 0 271.316 2.456 40 0 CEABRM Cc1nc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc1C ZINC000004652291 302609679 /nfs/dbraw/zinc/60/96/79/302609679.db2.gz PJNCHGLKENCWNV-RCWTZXSCSA-N -1 0 292.360 2.221 40 0 CEABRM CCn1cc(C(=O)[O-])c(=O)c2c(Cl)ccc(OC)c21 ZINC000062671700 523347024 /nfs/dbraw/zinc/34/70/24/523347024.db2.gz VMCDHFYMUNMRIL-UHFFFAOYSA-N -1 0 281.695 2.382 40 0 CEABRM CC[C@H](C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000049466581 523946303 /nfs/dbraw/zinc/94/63/03/523946303.db2.gz LBTSSENZJINNDI-ZKYQVNSYSA-N -1 0 261.321 2.459 40 0 CEABRM CC(C)(C)OC(=O)Nc1ccnc(CC(=O)[O-])c1 ZINC000199523797 570293580 /nfs/dbraw/zinc/29/35/80/570293580.db2.gz ZLTLCHATWRQKNZ-UHFFFAOYSA-N -1 0 252.270 2.056 40 0 CEABRM CCOc1nn(C)c2ccc(SCC(=O)[O-])cc12 ZINC000225774161 230399670 /nfs/dbraw/zinc/39/96/70/230399670.db2.gz OOEWGKLXQZSNIA-UHFFFAOYSA-N -1 0 266.322 2.149 40 0 CEABRM O=C([O-])[C@@H]1Cc2c(Cl)cc(Cl)cc2C(=O)O1 ZINC000125198610 187174277 /nfs/dbraw/zinc/17/42/77/187174277.db2.gz WLHFPVXASOVTDT-QMMMGPOBSA-N -1 0 261.060 2.160 40 0 CEABRM O=C([O-])c1cn(CCC(F)(F)F)nc1Br ZINC000408717721 539289181 /nfs/dbraw/zinc/28/91/81/539289181.db2.gz QFMJQBKATCYOQO-UHFFFAOYSA-N -1 0 287.035 2.296 40 0 CEABRM C[C@@H]1[C@@H](CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000095726788 344237516 /nfs/dbraw/zinc/23/75/16/344237516.db2.gz JRYHLFUVYYTHKY-NXEZZACHSA-N -1 0 257.330 2.497 40 0 CEABRM O=C([O-])c1cn(Cc2ccc(F)cc2Cl)cn1 ZINC000236477918 344596149 /nfs/dbraw/zinc/59/61/49/344596149.db2.gz AXOLJAFSJBKKEZ-UHFFFAOYSA-N -1 0 254.648 2.422 40 0 CEABRM CCCOc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC ZINC000085394838 179049133 /nfs/dbraw/zinc/04/91/33/179049133.db2.gz UGSUGNKWGJXNEF-IINYFYTJSA-N -1 0 294.303 2.173 40 0 CEABRM CC1(C)C[C@]1(c1ccccc1)[C@]([NH3+])(CCC(=O)[O-])C(=O)[O-] ZINC000064219268 362783479 /nfs/dbraw/zinc/78/34/79/362783479.db2.gz KXQQIVRZTWEXRE-CVEARBPZSA-N -1 0 291.347 2.001 40 0 CEABRM Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000110689121 186313218 /nfs/dbraw/zinc/31/32/18/186313218.db2.gz MEGIXCJSFSFWGV-BPLDGKMQSA-N -1 0 287.359 2.422 40 0 CEABRM CCOC(=O)c1[n-]c2c(OC)cccc2c(=O)c1Cl ZINC000685937603 540319342 /nfs/dbraw/zinc/31/93/42/540319342.db2.gz SXTDPHHUJXLSPO-UHFFFAOYSA-N -1 0 281.695 2.367 40 0 CEABRM CCCCN(CCCC)C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000002772350 361249392 /nfs/dbraw/zinc/24/93/92/361249392.db2.gz DEORFXSAFNFIFY-CRWXNKLISA-N -1 0 297.395 2.293 40 0 CEABRM CCOC(=O)/C(=C/c1cccc(OC)c1OC)CC(=O)[O-] ZINC000001559365 361207239 /nfs/dbraw/zinc/20/72/39/361207239.db2.gz XHDFWAWWXQJVTO-DHZHZOJOSA-N -1 0 294.303 2.125 40 0 CEABRM CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002392271 361234421 /nfs/dbraw/zinc/23/44/21/361234421.db2.gz APVBZIOLJVJCLT-GFCCVEGCSA-N -1 0 295.335 2.255 40 0 CEABRM O=C([O-])c1cccc(NC[C@@H](O)COc2ccccc2)c1 ZINC000003191939 361266924 /nfs/dbraw/zinc/26/69/24/361266924.db2.gz ILXYRPCTTMZMSL-CQSZACIVSA-N -1 0 287.315 2.237 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1ccccc1-n1cccc1 ZINC000017039946 361502259 /nfs/dbraw/zinc/50/22/59/361502259.db2.gz KKQLIFKJBGQWIH-FPLPWBNLSA-N -1 0 256.261 2.057 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)c2ccc(Br)cc21 ZINC000199564189 189683613 /nfs/dbraw/zinc/68/36/13/189683613.db2.gz XCTGQNKTJGLIAI-MRVPVSSYSA-N -1 0 255.067 2.204 40 0 CEABRM O=C([O-])c1ccc(Cl)c(NC(=S)NC2CC2)c1 ZINC000216927371 370191754 /nfs/dbraw/zinc/19/17/54/370191754.db2.gz AGOASKBNXPHRKF-UHFFFAOYSA-N -1 0 270.741 2.487 40 0 CEABRM Cc1ccc(OCC(=O)[O-])c(NC(=O)C(C)C)c1 ZINC000217373382 370195468 /nfs/dbraw/zinc/19/54/68/370195468.db2.gz LURCGVYQKJIFNV-UHFFFAOYSA-N -1 0 251.282 2.053 40 0 CEABRM O=C([O-])Cc1cnc(-c2cccc3ccccc32)[nH]c1=O ZINC000217388830 370195752 /nfs/dbraw/zinc/19/57/52/370195752.db2.gz MJPAXLQPTYFHFV-UHFFFAOYSA-N -1 0 280.283 2.217 40 0 CEABRM CCOc1cccc2c(=O)c(Br)n[n-]c12 ZINC000225744336 370316712 /nfs/dbraw/zinc/31/67/12/370316712.db2.gz UTMPTUCWZFZVPH-UHFFFAOYSA-N -1 0 269.098 2.497 40 0 CEABRM CC[C@@H](Sc1n[nH]c(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000224975467 370283879 /nfs/dbraw/zinc/28/38/79/370283879.db2.gz AWEDSEZXUPVCPP-SNVBAGLBSA-N -1 0 293.348 2.436 40 0 CEABRM COc1ccc(OC)c(C[C@@H](OCC(C)C)C(=O)[O-])c1 ZINC000225116779 370285360 /nfs/dbraw/zinc/28/53/60/370285360.db2.gz AXRJDHSUKWOGDM-CQSZACIVSA-N -1 0 282.336 2.372 40 0 CEABRM COc1cccc(C[C@H](OCC(C)C)C(=O)[O-])c1 ZINC000225101016 370285603 /nfs/dbraw/zinc/28/56/03/370285603.db2.gz OVCQTCURBLINQW-ZDUSSCGKSA-N -1 0 252.310 2.364 40 0 CEABRM Cc1nc(-c2ccc(Cl)c(N)c2)ncc1C(=O)[O-] ZINC000225404023 370292874 /nfs/dbraw/zinc/29/28/74/370292874.db2.gz FQJSOIWSJOJIIY-UHFFFAOYSA-N -1 0 263.684 2.386 40 0 CEABRM C[C@H](CN(C)c1ccnc(C(F)(F)F)c1)C(=O)[O-] ZINC000261565136 371649142 /nfs/dbraw/zinc/64/91/42/371649142.db2.gz HQDYALHTCAJFOL-SSDOTTSWSA-N -1 0 262.231 2.257 40 0 CEABRM O=C([O-])[C@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000329020349 304173949 /nfs/dbraw/zinc/17/39/49/304173949.db2.gz OBLCDMGVXPRKKD-LBPRGKRZSA-N -1 0 250.294 2.256 40 0 CEABRM O=C([O-])[C@H]1CS[C@H](c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000002750028 304202340 /nfs/dbraw/zinc/20/23/40/304202340.db2.gz SDVSAMONKPNWEC-DUTTYOFASA-N -1 0 299.220 2.170 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccc1 ZINC000004005816 304210868 /nfs/dbraw/zinc/21/08/68/304210868.db2.gz JSGFJQIPSAHMIO-URBCHYCLSA-N -1 0 257.289 2.148 40 0 CEABRM O=C([O-])C1=NN(c2ccccc2C(F)(F)F)C(=O)C1 ZINC000118633007 304226397 /nfs/dbraw/zinc/22/63/97/304226397.db2.gz CLOPIZPCTUQCHG-UHFFFAOYSA-N -1 0 272.182 2.295 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H](c2nocc2C(=O)[O-])C1 ZINC000072207751 256847139 /nfs/dbraw/zinc/84/71/39/256847139.db2.gz XRMMKKJZGRQYTF-VIFPVBQESA-N -1 0 296.323 2.487 40 0 CEABRM O=C([O-])c1nnc2sc(-c3ccccc3Cl)nn21 ZINC000057332580 304285250 /nfs/dbraw/zinc/28/52/50/304285250.db2.gz WACXSOYHCVVTKB-UHFFFAOYSA-N -1 0 280.696 2.204 40 0 CEABRM CCOC(=O)c1n[n-]c(OCC(C)C)c1Br ZINC000096509310 394693086 /nfs/dbraw/zinc/69/30/86/394693086.db2.gz ZFYINWBRRSDYHF-UHFFFAOYSA-N -1 0 291.145 2.384 40 0 CEABRM O=C([O-])c1sc(-n2cccn2)cc1OC(F)F ZINC000096510923 394694222 /nfs/dbraw/zinc/69/42/22/394694222.db2.gz SYQVIMZKADBVHO-UHFFFAOYSA-N -1 0 260.221 2.233 40 0 CEABRM O=C([O-])c1c(Cl)ccn(Cc2ccccc2)c1=O ZINC000575422451 400608846 /nfs/dbraw/zinc/60/88/46/400608846.db2.gz GIAZTTAZEFMEBM-UHFFFAOYSA-N -1 0 263.680 2.248 40 0 CEABRM CC(C)S(=O)(=O)c1s[n-]c(=O)c1-c1ccccc1 ZINC000005732964 170134999 /nfs/dbraw/zinc/13/49/99/170134999.db2.gz ORGUHJBOXDGGRP-UHFFFAOYSA-N -1 0 283.374 2.286 40 0 CEABRM CCCc1cc(=O)c2c([n-]n(-c3ccc(F)cc3)c2=O)[nH]1 ZINC000008020820 170314062 /nfs/dbraw/zinc/31/40/62/170314062.db2.gz HVHXEBZGTGYJJC-UHFFFAOYSA-N -1 0 287.294 2.099 40 0 CEABRM Nc1ccccc1C[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000008628114 170343376 /nfs/dbraw/zinc/34/33/76/170343376.db2.gz UUZXEJWYMCTSBT-LBPRGKRZSA-N -1 0 285.299 2.408 40 0 CEABRM COC(=O)c1cccc(NCc2ccc(C(=O)[O-])o2)c1 ZINC000008702248 170347645 /nfs/dbraw/zinc/34/76/45/170347645.db2.gz QNFMOCHJWOSTMI-UHFFFAOYSA-N -1 0 275.260 2.377 40 0 CEABRM O=C([O-])C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000014684368 170642454 /nfs/dbraw/zinc/64/24/54/170642454.db2.gz VNCNCAUMHGXGGZ-LBPRGKRZSA-N -1 0 263.293 2.262 40 0 CEABRM CC(C)C[C@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O ZINC000035280327 172098646 /nfs/dbraw/zinc/09/86/46/172098646.db2.gz PRQPWWKZDSNMEE-LLVKDONJSA-N -1 0 281.352 2.195 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccccn1 ZINC000038580511 174148186 /nfs/dbraw/zinc/14/81/86/174148186.db2.gz VGHPUFIBMDVHCT-SNVBAGLBSA-N -1 0 266.297 2.122 40 0 CEABRM Cc1cn(-c2ccccc2)nc1OCCCC(=O)[O-] ZINC000218819592 414843622 /nfs/dbraw/zinc/84/36/22/414843622.db2.gz GLBCTXKGNWUYRN-UHFFFAOYSA-N -1 0 260.293 2.424 40 0 CEABRM O=C([O-])c1cccc(OCc2noc(C3CC3)n2)c1 ZINC000049336947 175473478 /nfs/dbraw/zinc/47/34/78/175473478.db2.gz VUIXFDITZFIBEY-UHFFFAOYSA-N -1 0 260.249 2.224 40 0 CEABRM Cc1ccc(OCc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000049468427 175481175 /nfs/dbraw/zinc/48/11/75/175481175.db2.gz QDASSHSWCCPISJ-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM Cc1c(C(=O)[O-])cnc2cc(-c3ccccc3)nn21 ZINC000004992144 300949401 /nfs/dbraw/zinc/94/94/01/300949401.db2.gz XAOCDVHYGFKEQR-UHFFFAOYSA-N -1 0 253.261 2.403 40 0 CEABRM Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004760052 302004408 /nfs/dbraw/zinc/00/44/08/302004408.db2.gz JIXWTVJWDIUOQC-XWUBHJNHSA-N -1 0 271.316 2.456 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2ccc(C)c(C)c2)C1 ZINC000685937082 570389227 /nfs/dbraw/zinc/38/92/27/570389227.db2.gz IVEYFCUYOOCQGW-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM CCn1nc(-c2ccc(C)c(C)c2)cc(C(=O)[O-])c1=O ZINC000082454742 178033145 /nfs/dbraw/zinc/03/31/45/178033145.db2.gz VKIHPSRAWKNJQL-UHFFFAOYSA-N -1 0 272.304 2.245 40 0 CEABRM Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1Br ZINC000033282112 361776737 /nfs/dbraw/zinc/77/67/37/361776737.db2.gz YCIRHTUJBBIMEC-PLNGDYQASA-N -1 0 284.109 2.337 40 0 CEABRM Cc1cccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)c1 ZINC000036635188 361849415 /nfs/dbraw/zinc/84/94/15/361849415.db2.gz JGMVNYWDXDMTIL-SECBINFHSA-N -1 0 265.290 2.038 40 0 CEABRM O=C([O-])c1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000036984497 361880116 /nfs/dbraw/zinc/88/01/16/361880116.db2.gz OJHUTSKLXLEELP-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(C)n1C ZINC000008051978 343360894 /nfs/dbraw/zinc/36/08/94/343360894.db2.gz BYAZLMDXEXYMAA-UHFFFAOYSA-N -1 0 288.303 2.298 40 0 CEABRM COc1ccc(NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000028210307 343396713 /nfs/dbraw/zinc/39/67/13/343396713.db2.gz IDJFZZANWRGCRZ-UHFFFAOYSA-N -1 0 295.298 2.184 40 0 CEABRM CC(C)n1c(C(=O)[O-])nc2cncc(Br)c21 ZINC000096311282 344239092 /nfs/dbraw/zinc/23/90/92/344239092.db2.gz LIGLRCZYCWVEED-UHFFFAOYSA-N -1 0 284.113 2.473 40 0 CEABRM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CC(C)C)cc1 ZINC000049466623 362364103 /nfs/dbraw/zinc/36/41/03/362364103.db2.gz VAXGCCZSNJHNGA-UKRRQHHQSA-N -1 0 291.347 2.325 40 0 CEABRM CC(C)Sc1ncc(C(=O)[O-])c(N2CCCC2)n1 ZINC000049469060 362365318 /nfs/dbraw/zinc/36/53/18/362365318.db2.gz QBUWKAYPCLWZST-UHFFFAOYSA-N -1 0 267.354 2.276 40 0 CEABRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)OCc2ccccc2)C1 ZINC000097759080 344245749 /nfs/dbraw/zinc/24/57/49/344245749.db2.gz SOYXQVSBDHHRLV-WCQYABFASA-N -1 0 277.320 2.366 40 0 CEABRM CCCNc1nn(-c2ccc(C)cc2C)nc1C(=O)[O-] ZINC000256046448 344647090 /nfs/dbraw/zinc/64/70/90/344647090.db2.gz FZRPHSKYQLROAG-UHFFFAOYSA-N -1 0 274.324 2.404 40 0 CEABRM Cc1cccc(-n2nc(C(=O)[O-])c(N3CCCCC3)n2)c1 ZINC000256048291 344647092 /nfs/dbraw/zinc/64/70/92/344647092.db2.gz RZMCNHLYXZIBIT-UHFFFAOYSA-N -1 0 286.335 2.264 40 0 CEABRM O=C([O-])c1ccc(N2C(=O)CC[C@@H]2C(F)(F)F)cc1 ZINC000256050872 344647342 /nfs/dbraw/zinc/64/73/42/344647342.db2.gz GUXIGXQOQMEWHY-SECBINFHSA-N -1 0 273.210 2.443 40 0 CEABRM Cc1c(Br)c(-c2cccnc2)nn1CC(=O)[O-] ZINC000409443679 344890166 /nfs/dbraw/zinc/89/01/66/344890166.db2.gz RJKWJVIVSNOPLE-UHFFFAOYSA-N -1 0 296.124 2.101 40 0 CEABRM CCOC(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000085385629 179046411 /nfs/dbraw/zinc/04/64/11/179046411.db2.gz HYVCJQPYCQWAFL-UHFFFAOYSA-N -1 0 281.699 2.214 40 0 CEABRM CCn1c2ccc(Cl)cc2nc1[C@H](O)CC(=O)[O-] ZINC000064874425 362797127 /nfs/dbraw/zinc/79/71/27/362797127.db2.gz CNHZMOMZAFZGTP-SNVBAGLBSA-N -1 0 268.700 2.218 40 0 CEABRM O=C([O-])C[C@]12C[C@H]3C[C@H](CC(O[N+](=O)[O-])(C3)C1)C2 ZINC000100672764 304087683 /nfs/dbraw/zinc/08/76/83/304087683.db2.gz ZUNCLGOEVTUKCH-BUDJWXLYSA-N -1 0 255.270 2.008 40 0 CEABRM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000000795427 304092731 /nfs/dbraw/zinc/09/27/31/304092731.db2.gz XKDPYFLXGSXHSW-RYUDHWBXSA-N -1 0 281.283 2.034 40 0 CEABRM O=C([O-])c1cccc(NC(=S)NCc2ccco2)c1 ZINC000000874358 361195097 /nfs/dbraw/zinc/19/50/97/361195097.db2.gz QLQRREYNFQTNLZ-UHFFFAOYSA-N -1 0 276.317 2.464 40 0 CEABRM CCCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001561879 361207364 /nfs/dbraw/zinc/20/73/64/361207364.db2.gz QDMLTJRBUROWBY-UHFFFAOYSA-N -1 0 271.338 2.317 40 0 CEABRM O=S(=O)([O-])[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000001681761 361217348 /nfs/dbraw/zinc/21/73/48/361217348.db2.gz UGTWGPHWWXFKKH-LBPRGKRZSA-N -1 0 270.350 2.311 40 0 CEABRM Cc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004197522 361305066 /nfs/dbraw/zinc/30/50/66/361305066.db2.gz UYHDXLHSMBTREL-QPSCCSFWSA-N -1 0 285.343 2.134 40 0 CEABRM Cc1c(Cl)cccc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000082265825 363755279 /nfs/dbraw/zinc/75/52/79/363755279.db2.gz LAHJQTKOKCFRIW-LLVKDONJSA-N -1 0 269.728 2.487 40 0 CEABRM O=C([O-])CCc1nc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000012399055 361382617 /nfs/dbraw/zinc/38/26/17/361382617.db2.gz KNVBPXKNMBTTHJ-UHFFFAOYSA-N -1 0 292.192 2.017 40 0 CEABRM O=C([O-])c1cc(-c2cccnc2)c(N2CCOCC2)s1 ZINC000013998965 361445916 /nfs/dbraw/zinc/44/59/16/361445916.db2.gz YKMSXAGDRDNBOK-UHFFFAOYSA-N -1 0 290.344 2.345 40 0 CEABRM CCc1[n-]n2c(nc(-c3ccccn3)cc2=O)c1C ZINC000019521407 361541596 /nfs/dbraw/zinc/54/15/96/361541596.db2.gz ATGKBTJONQDQPF-UHFFFAOYSA-N -1 0 254.293 2.368 40 0 CEABRM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000020106117 361581131 /nfs/dbraw/zinc/58/11/31/361581131.db2.gz ZGLTZOVUAHPOFW-UHFFFAOYSA-N -1 0 296.392 2.073 40 0 CEABRM COc1cc(/C(C)=C/[C@@H](C)CC(=O)[O-])oc(=O)c1C ZINC000031160854 361709692 /nfs/dbraw/zinc/70/96/92/361709692.db2.gz MPAYQRIVOSEDQH-CBVZUMJXSA-N -1 0 266.293 2.471 40 0 biogenic,in-vitro CEABRM O=C([O-])CCCc1nc(-c2c(F)cccc2F)no1 ZINC000089262283 363952150 /nfs/dbraw/zinc/95/21/50/363952150.db2.gz VCCHFNGAGHHHPT-UHFFFAOYSA-N -1 0 268.219 2.422 40 0 CEABRM CC(C)Cn1ncc(C(=O)[O-])c1OCc1ccncc1 ZINC000095096619 364339856 /nfs/dbraw/zinc/33/98/56/364339856.db2.gz JVXQBZMINURYTF-UHFFFAOYSA-N -1 0 275.308 2.211 40 0 CEABRM O=c1c(I)n[n-]c2ccc(F)cc12 ZINC000095097481 364340566 /nfs/dbraw/zinc/34/05/66/364340566.db2.gz JTIKVAFMKFKMSX-UHFFFAOYSA-N -1 0 290.035 2.079 40 0 CEABRM CC(C)CN1c2ccccc2[C@@]2(C[C@@H]2C(=O)[O-])C1=O ZINC000096243451 364417278 /nfs/dbraw/zinc/41/72/78/364417278.db2.gz WFAWDFXVORAIHS-IAQYHMDHSA-N -1 0 259.305 2.032 40 0 CEABRM CCOC(=O)CCc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100434691 364545493 /nfs/dbraw/zinc/54/54/93/364545493.db2.gz CULBJNYXHAKGSS-CYBMUJFWSA-N -1 0 274.320 2.369 40 0 CEABRM Cc1nc2n(n1)[C@@H](/C=C/c1ccccc1)CC(C(=O)[O-])=N2 ZINC000102278404 364588940 /nfs/dbraw/zinc/58/89/40/364588940.db2.gz BWCGDKVCHKZNKK-GUOLPTJISA-N -1 0 282.303 2.235 40 0 CEABRM O=C([O-])[C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1 ZINC000245227187 370806933 /nfs/dbraw/zinc/80/69/33/370806933.db2.gz FDMKGLZLQXLPDB-BWUZBNCSSA-N -1 0 258.273 2.131 40 0 CEABRM CCO[C@@H](Cc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000225121729 189744611 /nfs/dbraw/zinc/74/46/11/189744611.db2.gz IMZUYEBNULTEFI-NSHDSACASA-N -1 0 258.701 2.381 40 0 CEABRM COC(=O)C1=C([O-])c2ccc3c(c2CC1)CCCC3 ZINC000001682671 291456182 /nfs/dbraw/zinc/45/61/82/291456182.db2.gz PAMRJLABHPGNRZ-CQSZACIVSA-N -1 0 258.317 2.484 40 0 CEABRM C[C@@]1(C(=O)[O-])CC(c2c(F)cccc2Cl)=NO1 ZINC000217847179 370201166 /nfs/dbraw/zinc/20/11/66/370201166.db2.gz WRQKXMDKGRPYBO-NSHDSACASA-N -1 0 257.648 2.447 40 0 CEABRM COc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c(F)c1 ZINC000223858936 370271938 /nfs/dbraw/zinc/27/19/38/370271938.db2.gz DCBFUALEKIFFIE-SNVBAGLBSA-N -1 0 295.310 2.304 40 0 CEABRM CC[C@@H](Sc1n[nH]c(COc2ccccc2)n1)C(=O)[O-] ZINC000224976701 370284003 /nfs/dbraw/zinc/28/40/03/370284003.db2.gz QQHCNWFSWWYBBF-SNVBAGLBSA-N -1 0 293.348 2.339 40 0 CEABRM O=C([O-])[C@H](Cc1cccc2ccccc21)N1CCOCC1 ZINC000225143376 370285502 /nfs/dbraw/zinc/28/55/02/370285502.db2.gz XEDMUOHEZKEDDV-INIZCTEOSA-N -1 0 285.343 2.168 40 0 CEABRM Nc1nn(Cc2cccc3ccccc32)cc1C(=O)[O-] ZINC000408716599 375516729 /nfs/dbraw/zinc/51/67/29/375516729.db2.gz OQKCORPFYLATJR-UHFFFAOYSA-N -1 0 267.288 2.195 40 0 CEABRM Cc1c(NCc2ccccc2C(=O)[O-])cnn1CCF ZINC000256050320 190003164 /nfs/dbraw/zinc/00/31/64/190003164.db2.gz DPPKTWOUQAUQCS-UHFFFAOYSA-N -1 0 277.299 2.471 40 0 CEABRM O=C([O-])c1ccccc1-c1ccc(Cn2cncn2)cn1 ZINC000257199676 190011137 /nfs/dbraw/zinc/01/11/37/190011137.db2.gz AAKVDSVHAQNYDW-UHFFFAOYSA-N -1 0 280.287 2.087 40 0 CEABRM O=C([O-])[C@H]1COc2ccc(Br)cc2C1 ZINC000020244106 304201348 /nfs/dbraw/zinc/20/13/48/304201348.db2.gz BWCZGYZFEWAXEU-SSDOTTSWSA-N -1 0 257.083 2.085 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000004795503 304210884 /nfs/dbraw/zinc/21/08/84/304210884.db2.gz NHTGKYUWYFNJEU-PSJXJDHFSA-N -1 0 275.279 2.287 40 0 CEABRM O=C([O-])[C@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1 ZINC000035360887 304212239 /nfs/dbraw/zinc/21/22/39/304212239.db2.gz FDMKGLZLQXLPDB-OBEQPXDXSA-N -1 0 258.273 2.131 40 0 CEABRM O=C([O-])c1cc(Cl)nn1-c1ncccc1Cl ZINC000095643040 304224546 /nfs/dbraw/zinc/22/45/46/304224546.db2.gz CKAATYOECWZFCI-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 ZINC000020244019 304250850 /nfs/dbraw/zinc/25/08/50/304250850.db2.gz DRLYNTSQVIAXRZ-ZDUSSCGKSA-N -1 0 268.272 2.239 40 0 CEABRM O=C([O-])c1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC000052125307 304254840 /nfs/dbraw/zinc/25/48/40/304254840.db2.gz LTHZMPZRVWUUOS-UHFFFAOYSA-N -1 0 257.224 2.234 40 0 CEABRM Cc1cc(C)cc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)c1 ZINC000020156273 394470777 /nfs/dbraw/zinc/47/07/77/394470777.db2.gz KDCIGTIKGPMZNS-UHFFFAOYSA-N -1 0 276.317 2.210 40 0 CEABRM CCOC(=O)c1[n-]n(-c2cccc(C)c2)c(=O)c1C ZINC000072209303 394592323 /nfs/dbraw/zinc/59/23/23/394592323.db2.gz CORWWSIMOCCHRS-UHFFFAOYSA-N -1 0 260.293 2.371 40 0 CEABRM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c(=O)c1C ZINC000072209304 394592308 /nfs/dbraw/zinc/59/23/08/394592308.db2.gz RMEFLGLLLWZSTN-UHFFFAOYSA-N -1 0 260.293 2.371 40 0 CEABRM Cc1c(I)ccc(F)c1C(=O)[O-] ZINC000085210738 394643043 /nfs/dbraw/zinc/64/30/43/394643043.db2.gz BEPCNBFTDTZUJH-UHFFFAOYSA-N -1 0 280.036 2.437 40 0 CEABRM Cc1c(C(=O)[O-])[nH]c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000095532066 394673636 /nfs/dbraw/zinc/67/36/36/394673636.db2.gz HGEFDLCMDSHZBS-UHFFFAOYSA-N -1 0 286.209 2.191 40 0 CEABRM O=C([O-])[C@H]1CCN(c2nc(C3CC3)nc3c2CCCC3)C1 ZINC000096516977 394694062 /nfs/dbraw/zinc/69/40/62/394694062.db2.gz ZRXFJMJIMNOJEH-NSHDSACASA-N -1 0 287.363 2.144 40 0 CEABRM CCC(=C([O-])c1cccc(C)c1)S(=O)(=O)CC ZINC000096518091 394694876 /nfs/dbraw/zinc/69/48/76/394694876.db2.gz ZXKLKAJCXANGEY-LBPRGKRZSA-N -1 0 254.351 2.391 40 0 CEABRM O=c1[n-]c(Cl)c(Cl)c(=O)n1CCc1ccccc1 ZINC000096524097 394696617 /nfs/dbraw/zinc/69/66/17/394696617.db2.gz XGZDBIBWVCZCJM-UHFFFAOYSA-N -1 0 285.130 2.498 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@H](c1ccccc1)C2 ZINC000096530369 394698134 /nfs/dbraw/zinc/69/81/34/394698134.db2.gz WPOSZGONKQUEQN-NSHDSACASA-N -1 0 257.293 2.311 40 0 CEABRM O=C([O-])[C@@H]1[C@H](C(=O)NCc2cccs2)[C@@H]2CC[C@H]1C2 ZINC000005094728 170065898 /nfs/dbraw/zinc/06/58/98/170065898.db2.gz RCASCYGHFPRADK-DMWPJOQESA-N -1 0 279.361 2.111 40 0 CEABRM CCCCS(=O)(=O)[N-]C(=S)Nc1ccccc1 ZINC000005421928 170097702 /nfs/dbraw/zinc/09/77/02/170097702.db2.gz ICPXRIXNGNHFSI-UHFFFAOYSA-N -1 0 272.395 2.103 40 0 CEABRM O=C([O-])c1ccccc1C(=O)OCc1ccccn1 ZINC000005589384 170116660 /nfs/dbraw/zinc/11/66/60/170116660.db2.gz DJRYVZCGKQGFTM-UHFFFAOYSA-N -1 0 257.245 2.137 40 0 CEABRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000007405078 170283100 /nfs/dbraw/zinc/28/31/00/170283100.db2.gz QUACCKZAKFEVBU-UHFFFAOYSA-N -1 0 288.275 2.370 40 0 CEABRM CC(C)CSc1nc2c([nH]1)n(C)c(=O)n(C)c2=S ZINC000008626603 170343462 /nfs/dbraw/zinc/34/34/62/170343462.db2.gz FQWJZYANKIABOI-UHFFFAOYSA-N -1 0 284.410 2.078 40 0 CEABRM CCOC(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O ZINC000008700488 170346653 /nfs/dbraw/zinc/34/66/53/170346653.db2.gz POQZLXDTXDVHMY-UHFFFAOYSA-N -1 0 281.695 2.074 40 0 CEABRM CCOc1ccccc1Nc1ncc(C(=O)[O-])cn1 ZINC000008702914 170347647 /nfs/dbraw/zinc/34/76/47/170347647.db2.gz DUAHTLITBOLELM-UHFFFAOYSA-N -1 0 259.265 2.317 40 0 CEABRM COc1ccccc1Nc1ncc(/C=C/C(=O)[O-])cn1 ZINC000008702908 170347680 /nfs/dbraw/zinc/34/76/80/170347680.db2.gz SCEYDOFOYYMYHU-VOTSOKGWSA-N -1 0 271.276 2.327 40 0 CEABRM CCCC(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1 ZINC000020151274 171037686 /nfs/dbraw/zinc/03/76/86/171037686.db2.gz RRJILAGAWHSVNU-UHFFFAOYSA-N -1 0 296.348 2.012 40 0 CEABRM CCCCC(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000020151297 171037912 /nfs/dbraw/zinc/03/79/12/171037912.db2.gz FNFVCNYRMYKKKB-UHFFFAOYSA-N -1 0 294.376 2.317 40 0 CEABRM CC(C)c1nsc(Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000662895814 414793236 /nfs/dbraw/zinc/79/32/36/414793236.db2.gz PWJFRCFCCSZXEG-UHFFFAOYSA-N -1 0 295.368 2.421 40 0 CEABRM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cc3ccncc3)cc2)C1 ZINC000045958389 175389436 /nfs/dbraw/zinc/38/94/36/175389436.db2.gz VUXFOKMHNJUXQX-CQSZACIVSA-N -1 0 296.326 2.110 40 0 CEABRM CC(=O)N1CCC[C@](CCCc2ccncc2)(C(=O)[O-])C1 ZINC000072344222 176372421 /nfs/dbraw/zinc/37/24/21/176372421.db2.gz SYUKAPCCYYJODJ-INIZCTEOSA-N -1 0 290.363 2.118 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@H]1CSCC(=O)[O-] ZINC000079392080 177475624 /nfs/dbraw/zinc/47/56/24/177475624.db2.gz GGEMSKOLPLZURL-VIFPVBQESA-N -1 0 275.370 2.204 40 0 CEABRM CC(=O)Nc1c2cc(Cl)ccc2n(C)c1C(=O)[O-] ZINC000006857014 278184582 /nfs/dbraw/zinc/18/45/82/278184582.db2.gz QCTSSSMWSSTKIE-UHFFFAOYSA-N -1 0 266.684 2.488 40 0 CEABRM CC(C)(C)OC(=O)C[C@]1(C)N[C@H](C(=O)[O-])C(C)(C)S1 ZINC000001707398 278377037 /nfs/dbraw/zinc/37/70/37/278377037.db2.gz UDRAPPYUWMHIHM-NOZJJQNGSA-N -1 0 289.397 2.003 40 0 CEABRM Cc1nc2n(n1)[C@H](c1ccccc1Cl)CC(C(=O)[O-])=N2 ZINC000102278347 302684593 /nfs/dbraw/zinc/68/45/93/302684593.db2.gz WCHSPJMMKDIVDE-NSHDSACASA-N -1 0 290.710 2.223 40 0 CEABRM COc1ccc(Oc2c(N)cc(CC(=O)[O-])cc2N)cc1 ZINC000095496248 327202691 /nfs/dbraw/zinc/20/26/91/327202691.db2.gz SDJPQPZZRMJKEB-UHFFFAOYSA-N -1 0 288.303 2.279 40 0 CEABRM COC(=O)[C@H](C)n1c(C(=O)[O-])cc2cc(F)ccc21 ZINC000536555965 330365780 /nfs/dbraw/zinc/36/57/80/330365780.db2.gz ZQBWEFUVEQIBHU-ZETCQYMHSA-N -1 0 265.240 2.213 40 0 CEABRM CCn1nc(-c2ccc(Cl)cc2)cc(C(=O)[O-])c1=O ZINC000082454944 178034076 /nfs/dbraw/zinc/03/40/76/178034076.db2.gz UIQYHUFSSQYBAQ-UHFFFAOYSA-N -1 0 278.695 2.282 40 0 CEABRM CCc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000033440687 361779212 /nfs/dbraw/zinc/77/92/12/361779212.db2.gz JFMVYCGITQIXHS-FEAKQIBJSA-N -1 0 275.348 2.488 40 0 CEABRM O=C([O-])Cc1ccc(Cn2cc(Br)cn2)cc1 ZINC000132025880 344361264 /nfs/dbraw/zinc/36/12/64/344361264.db2.gz OSTOJNDLPWSBBW-UHFFFAOYSA-N -1 0 295.136 2.321 40 0 CEABRM Cc1ccccc1-n1nc(C(=O)[O-])c(N2CCCCC2)n1 ZINC000256046566 344646977 /nfs/dbraw/zinc/64/69/77/344646977.db2.gz GSDNWEGCBRJSBH-UHFFFAOYSA-N -1 0 286.335 2.264 40 0 CEABRM COc1ccc(-c2nc(N)sc2CC(=O)[O-])c(C)c1 ZINC000085397397 179050121 /nfs/dbraw/zinc/05/01/21/179050121.db2.gz NNZVVMXAUXFSGF-UHFFFAOYSA-N -1 0 278.333 2.336 40 0 CEABRM Cc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])o1 ZINC000211544852 539908756 /nfs/dbraw/zinc/90/87/56/539908756.db2.gz YXTIYRXPMNQVMG-UITAMQMPSA-N -1 0 266.278 2.497 40 0 CEABRM C[C@@H](n1c([O-])cc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008243570 296030851 /nfs/dbraw/zinc/03/08/51/296030851.db2.gz OWKJOIDVDLYLTP-LDWCXNJISA-N -1 0 290.363 2.060 40 0 CEABRM CCCC[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-] ZINC000001615667 361212970 /nfs/dbraw/zinc/21/29/70/361212970.db2.gz DYSKXPITKBYXQB-LBPRGKRZSA-N -1 0 287.319 2.003 40 0 CEABRM CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003335019 361274946 /nfs/dbraw/zinc/27/49/46/361274946.db2.gz SOGZORAFQCMVQL-NSHDSACASA-N -1 0 253.273 2.055 40 0 CEABRM O=C([O-])CCNc1ncnc2cc(Cl)ccc21 ZINC000004294377 361310639 /nfs/dbraw/zinc/31/06/39/361310639.db2.gz WCEVCSXYVPWPSH-UHFFFAOYSA-N -1 0 251.673 2.170 40 0 CEABRM O=C([O-])/C=C\C(=O)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC000017160272 361505560 /nfs/dbraw/zinc/50/55/60/361505560.db2.gz QOAPIBFFCXKFHF-HJWRWDBZSA-N -1 0 293.278 2.477 40 0 CEABRM Cc1cc2nc([C@H](C)NC(=O)CC(C)(C)C)cc(=O)n2[n-]1 ZINC000019129698 361521441 /nfs/dbraw/zinc/52/14/41/361521441.db2.gz HIDMNZJMBGHVFW-JTQLQIEISA-N -1 0 290.367 2.357 40 0 CEABRM O=C([O-])[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 ZINC000022239000 361587757 /nfs/dbraw/zinc/58/77/57/361587757.db2.gz UEZVHKAMOANQJQ-OAHLLOKOSA-N -1 0 297.310 2.108 40 0 CEABRM Cc1cc(Br)ccc1-n1cc(C(=O)[O-])nn1 ZINC000088125602 363879045 /nfs/dbraw/zinc/87/90/45/363879045.db2.gz SJLSQKXEWVBBEM-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM CCC1C(CC(=O)[O-])=C(C)[NH2+]C(C)=C1CC(=O)[O-] ZINC000104159340 364682121 /nfs/dbraw/zinc/68/21/21/364682121.db2.gz HVMVRDRYTYHBSY-UHFFFAOYSA-N -1 0 253.298 2.113 40 0 CEABRM CO[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000215957094 189699209 /nfs/dbraw/zinc/69/92/09/189699209.db2.gz ADXVNFWJNPAFDD-SECBINFHSA-N -1 0 259.099 2.091 40 0 CEABRM CC(C)(C)OC(=O)N1CC(CC(C)(C)C(=O)[O-])C1 ZINC000215854472 370181597 /nfs/dbraw/zinc/18/15/97/370181597.db2.gz QRLNBECRRSMAOR-UHFFFAOYSA-N -1 0 257.330 2.354 40 0 CEABRM C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)[O-] ZINC000218675284 370211175 /nfs/dbraw/zinc/21/11/75/370211175.db2.gz QUHMZAPIYXMKCR-QMMMGPOBSA-N -1 0 266.684 2.378 40 0 CEABRM O=C([O-])c1cnc(COc2cccc3cccnc32)nc1 ZINC000217379971 370195347 /nfs/dbraw/zinc/19/53/47/370195347.db2.gz MPPMLJSZPLQWLK-UHFFFAOYSA-N -1 0 281.271 2.302 40 0 CEABRM O=C([O-])[C@H]1[C@H](OCc2ccccc2)C(=O)N1c1ccccc1 ZINC000218311888 370208199 /nfs/dbraw/zinc/20/81/99/370208199.db2.gz OZUIZLPNXVKGMZ-CABCVRRESA-N -1 0 297.310 2.072 40 0 CEABRM Cc1ccccc1-c1nc(S[C@H](C)C(=O)[O-])n[nH]1 ZINC000224979566 370284183 /nfs/dbraw/zinc/28/41/83/370284183.db2.gz OCYBCJSNURXEPP-MRVPVSSYSA-N -1 0 263.322 2.345 40 0 CEABRM O=C([O-])c1nn(CCC(F)(F)F)cc1Br ZINC000408717127 375515890 /nfs/dbraw/zinc/51/58/90/375515890.db2.gz WAMKHTBJOVZZDC-UHFFFAOYSA-N -1 0 287.035 2.296 40 0 CEABRM O=C([O-])CCNC(=O)c1ccc(COc2ccccc2)o1 ZINC000409194370 375519684 /nfs/dbraw/zinc/51/96/84/375519684.db2.gz BBTZCEBQLZEXLB-UHFFFAOYSA-N -1 0 289.287 2.063 40 0 CEABRM CCN(c1ncccc1C(=O)[O-])[C@@H]1CCSC1 ZINC000409428541 375523357 /nfs/dbraw/zinc/52/33/57/375523357.db2.gz GRCHHEUSHYEKQU-SECBINFHSA-N -1 0 252.339 2.112 40 0 CEABRM CC(C)C(=O)NCc1ncc(-c2ccccc2C(=O)[O-])cn1 ZINC000257304728 190030724 /nfs/dbraw/zinc/03/07/24/190030724.db2.gz SMYBCWUYVMORIX-UHFFFAOYSA-N -1 0 299.330 2.114 40 0 CEABRM O=C([O-])c1ccc2c(c1)OC(F)(F)C(F)(F)O2 ZINC000044226217 304253310 /nfs/dbraw/zinc/25/33/10/304253310.db2.gz BSLPWYNSRXMUTK-UHFFFAOYSA-N -1 0 252.119 2.342 40 0 CEABRM O=C([O-])c1cnn(-c2cc(Cl)ccc2Cl)n1 ZINC000082567745 304279875 /nfs/dbraw/zinc/27/98/75/304279875.db2.gz MSBQOSLUCOTXBC-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM C[C@@H]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])[C@@H]1C ZINC000220296315 296483859 /nfs/dbraw/zinc/48/38/59/296483859.db2.gz XAGZJDIKHFHOLH-BRMKEXSVSA-N -1 0 291.391 2.450 40 0 CEABRM Cc1cc2cc3c(cc2n2c(=S)[n-]nc12)OCCO3 ZINC000013535554 292020380 /nfs/dbraw/zinc/02/03/80/292020380.db2.gz RLEPFKAZCYJVRJ-UHFFFAOYSA-N -1 0 273.317 2.251 40 0 CEABRM COCCOc1ccc(-c2cnc(C(=O)[O-])o2)cc1 ZINC000072219857 394594528 /nfs/dbraw/zinc/59/45/28/394594528.db2.gz SCYIGWTVUNOLMH-UHFFFAOYSA-N -1 0 263.249 2.065 40 0 CEABRM CC(C)Cn1nc(C(C)(C)C(=O)[O-])c2ccccc2c1=O ZINC000072209254 394592155 /nfs/dbraw/zinc/59/21/55/394592155.db2.gz HCKDABUMAOXAAI-UHFFFAOYSA-N -1 0 288.347 2.415 40 0 CEABRM C[C@@H](c1ccccc1Cl)n1cc(C(=O)[O-])nn1 ZINC000096510217 394692954 /nfs/dbraw/zinc/69/29/54/394692954.db2.gz GDVGXLYNRVMJAX-ZETCQYMHSA-N -1 0 251.673 2.239 40 0 CEABRM CCCc1nc(OCC(F)(F)F)cc(C(=O)[O-])n1 ZINC000096524188 394696612 /nfs/dbraw/zinc/69/66/12/394696612.db2.gz POCIGKPAMPPUSM-UHFFFAOYSA-N -1 0 264.203 2.068 40 0 CEABRM CC(C)(C)OC(=O)N1CC(c2nc(C(=O)[O-])cs2)C1 ZINC000396174162 395216284 /nfs/dbraw/zinc/21/62/84/395216284.db2.gz BPFOLMLKTMGCDN-UHFFFAOYSA-N -1 0 284.337 2.176 40 0 CEABRM COC(=O)C1=C([O-])c2ccccc2[C@@H](C(=O)OC)[C@@H]1C ZINC000208036845 395474873 /nfs/dbraw/zinc/47/48/73/395474873.db2.gz YFWVFGYWECDQCR-KWQFWETISA-N -1 0 276.288 2.035 40 0 CEABRM C[C@@H](CN(C)c1cncc(-c2ccccc2)n1)C(=O)[O-] ZINC000263550319 154126523 /nfs/dbraw/zinc/12/65/23/154126523.db2.gz KGKLDYMIGTYUPW-NSHDSACASA-N -1 0 271.320 2.301 40 0 CEABRM CCC1(C)CC(=O)N(C/C=C(/C)CCC(=O)[O-])C(=O)C1 ZINC000001702093 169745424 /nfs/dbraw/zinc/74/54/24/169745424.db2.gz VNFDZELZTRNPQS-XFFZJAGNSA-N -1 0 281.352 2.363 40 0 CEABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1CCCCC1 ZINC000006728284 170233737 /nfs/dbraw/zinc/23/37/37/170233737.db2.gz IRBSKFHBNRYZPR-RFGFWPKPSA-N -1 0 279.380 2.430 40 0 CEABRM CCc1ccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1 ZINC000020156332 171039443 /nfs/dbraw/zinc/03/94/43/171039443.db2.gz PORQDRPFINRRLP-UHFFFAOYSA-N -1 0 290.344 2.085 40 0 CEABRM COc1ccc(-c2cccc(C(=O)[O-])n2)cc1OC ZINC000020443292 171205512 /nfs/dbraw/zinc/20/55/12/171205512.db2.gz OIOCFHPMDLMALK-UHFFFAOYSA-N -1 0 259.261 2.464 40 0 CEABRM O=C([O-])c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000036984215 172850230 /nfs/dbraw/zinc/85/02/30/172850230.db2.gz NFHAUSBZPMOLNV-UHFFFAOYSA-N -1 0 258.064 2.272 40 0 CEABRM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000037359370 173149458 /nfs/dbraw/zinc/14/94/58/173149458.db2.gz WWDWDCKQQRBAAT-NSHDSACASA-N -1 0 289.253 2.163 40 0 CEABRM O=C([O-])[C@@H]1CCC(=O)N1Cc1cccc(Br)c1 ZINC000039025596 174162093 /nfs/dbraw/zinc/16/20/93/174162093.db2.gz PLLOGFYLPBLVPH-JTQLQIEISA-N -1 0 298.136 2.025 40 0 CEABRM COCCOc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000071399146 176152393 /nfs/dbraw/zinc/15/23/93/176152393.db2.gz MTIMYSKQEMOELX-UHFFFAOYSA-N -1 0 264.199 2.429 40 0 CEABRM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cccc(C)c1 ZINC000000355969 278075658 /nfs/dbraw/zinc/07/56/58/278075658.db2.gz NSPMXKUWUQZFIF-NWDGAFQWSA-N -1 0 265.334 2.042 40 0 CEABRM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccncc2)N1 ZINC000001507718 280071018 /nfs/dbraw/zinc/07/10/18/280071018.db2.gz GSKJQFXGSBOGKF-GJZGRUSLSA-N -1 0 293.326 2.251 40 0 CEABRM Cc1cc2c(c(=O)n1CCC(=O)[O-])C=C[C@@H](C(C)C)O2 ZINC000257339310 301436150 /nfs/dbraw/zinc/43/61/50/301436150.db2.gz ZBESSRPFSCQGEP-LBPRGKRZSA-N -1 0 277.320 2.062 40 0 CEABRM Cc1nn2c(nnc(C(=O)[O-])c2C)c1-c1ccccc1 ZINC000013639019 302808249 /nfs/dbraw/zinc/80/82/49/302808249.db2.gz NJAJYXUXKZLVCU-UHFFFAOYSA-N -1 0 268.276 2.106 40 0 CEABRM O=C([O-])CNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1 ZINC000536558866 330365761 /nfs/dbraw/zinc/36/57/61/330365761.db2.gz VHIKFRLABOSQRM-UHFFFAOYSA-N -1 0 278.695 2.150 40 0 CEABRM CC(C)(C)OC(=O)[C@@](N)(CC(=O)[O-])c1cccc(Cl)c1 ZINC000083259307 178375255 /nfs/dbraw/zinc/37/52/55/178375255.db2.gz MBFXCXCSRJUITA-CQSZACIVSA-N -1 0 299.754 2.310 40 0 CEABRM O=C([O-])Cc1ccc(-c2nn3cnnc3s2)cc1Cl ZINC000041126916 362021342 /nfs/dbraw/zinc/02/13/42/362021342.db2.gz YNIZLKYBNCGXRB-UHFFFAOYSA-N -1 0 294.723 2.133 40 0 CEABRM O=C([O-])[C@@H]1OC(c2ccc(Cl)cc2)=NC12CC2 ZINC000006495043 343356478 /nfs/dbraw/zinc/35/64/78/343356478.db2.gz CTTNKVFEUFDGSD-VIFPVBQESA-N -1 0 251.669 2.103 40 0 CEABRM O=C([O-])c1nc2cncc(Br)c2n1C1CC1 ZINC000096311237 344239082 /nfs/dbraw/zinc/23/90/82/344239082.db2.gz DLJLVQNGMIZQPM-UHFFFAOYSA-N -1 0 282.097 2.227 40 0 CEABRM O=C([O-])Cc1cnc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O ZINC000049468579 362365554 /nfs/dbraw/zinc/36/55/54/362365554.db2.gz LXXKDXCUTNMOBF-UHFFFAOYSA-N -1 0 299.113 2.371 40 0 CEABRM O=C([O-])CONC(=O)OCc1cccc2ccccc21 ZINC000230826548 344573872 /nfs/dbraw/zinc/57/38/72/344573872.db2.gz XQORSPLUKPNZOT-UHFFFAOYSA-N -1 0 275.260 2.082 40 0 CEABRM CCCNc1nn(-c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000256046067 344647050 /nfs/dbraw/zinc/64/70/50/344647050.db2.gz CMZISAAPVIZRBO-UHFFFAOYSA-N -1 0 280.715 2.441 40 0 CEABRM CCN(CC)c1nn(-c2ccc(C)cc2C)nc1C(=O)[O-] ZINC000256047781 344647114 /nfs/dbraw/zinc/64/71/14/344647114.db2.gz ORHUXORGDIESAE-UHFFFAOYSA-N -1 0 288.351 2.429 40 0 CEABRM CCC1(CC)Cc2ccccc2-c2nc3[n-]nnn3c(=O)c21 ZINC000102911854 282380088 /nfs/dbraw/zinc/38/00/88/282380088.db2.gz KZBZJZZCPWKQLW-UHFFFAOYSA-N -1 0 295.346 2.094 40 0 CEABRM O=C([O-])C[C@@H]1CSc2nc(-c3cccs3)cc(=O)n21 ZINC000085397268 179049666 /nfs/dbraw/zinc/04/96/66/179049666.db2.gz JPBLALUDFLMAKZ-SSDOTTSWSA-N -1 0 294.357 2.093 40 0 CEABRM CC(C)Oc1cccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])c1 ZINC000085394608 179049289 /nfs/dbraw/zinc/04/92/89/179049289.db2.gz CROGODDINCRNBN-DGCLKSJQSA-N -1 0 264.277 2.163 40 0 CEABRM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OCC ZINC000000086122 361126512 /nfs/dbraw/zinc/12/65/12/361126512.db2.gz CJYQDKYTDWQPDL-ZWNOBZJWSA-N -1 0 297.376 2.272 40 0 CEABRM COc1ccccc1Nc1ccc(N)cc1S(=O)(=O)[O-] ZINC000001669761 361215207 /nfs/dbraw/zinc/21/52/07/361215207.db2.gz KWQMSQIIPCKLHJ-UHFFFAOYSA-N -1 0 294.332 2.268 40 0 CEABRM CCC[C@@H]1[C@@H](C(=O)[O-])c2ccccc2C(=O)N1CC ZINC000033413928 283668700 /nfs/dbraw/zinc/66/87/00/283668700.db2.gz KKOGSYIMRMNVGG-OLZOCXBDSA-N -1 0 261.321 2.499 40 0 CEABRM CCOC(=O)c1cc(=O)c2ncc(Br)cc2[n-]1 ZINC000026522635 361642715 /nfs/dbraw/zinc/64/27/15/361642715.db2.gz WMTDOCGGQWQTLU-UHFFFAOYSA-N -1 0 297.108 2.275 40 0 CEABRM Cc1ccccc1-n1nc(Br)c(C(=O)[O-])n1 ZINC000089263328 363951976 /nfs/dbraw/zinc/95/19/76/363951976.db2.gz IBKBXZQYXMCJEL-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM COc1cccc([C@H](OCC(=O)[O-])C(F)(F)F)c1 ZINC000095096377 364340094 /nfs/dbraw/zinc/34/00/94/364340094.db2.gz VMQMRGSDPIOEOX-JTQLQIEISA-N -1 0 264.199 2.400 40 0 CEABRM CCc1[n-]n2c(nc(-c3cccnc3)cc2=O)c1C ZINC000100230696 364542402 /nfs/dbraw/zinc/54/24/02/364542402.db2.gz MSMADEPJKRHSPK-UHFFFAOYSA-N -1 0 254.293 2.368 40 0 CEABRM COc1ccc(C(=O)[O-])cc1NC(=S)NC(C)C ZINC000216928709 370192440 /nfs/dbraw/zinc/19/24/40/370192440.db2.gz VYQUBIDQIKQTIJ-UHFFFAOYSA-N -1 0 268.338 2.088 40 0 CEABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC[C@@H]1CCCO1 ZINC000225154859 370286865 /nfs/dbraw/zinc/28/68/65/370286865.db2.gz FQJSONKKHPSLLT-NSHDSACASA-N -1 0 294.376 2.159 40 0 CEABRM O=C([O-])[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000019517591 304172441 /nfs/dbraw/zinc/17/24/41/304172441.db2.gz WFEFMIVPBQYUKA-CHWSQXEVSA-N -1 0 259.305 2.285 40 0 CEABRM O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cccs1 ZINC000006727739 304199063 /nfs/dbraw/zinc/19/90/63/304199063.db2.gz PTWRDEGOIZXKJB-SNVBAGLBSA-N -1 0 295.360 2.334 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)NCc1cccs1 ZINC000006742090 304211649 /nfs/dbraw/zinc/21/16/49/304211649.db2.gz KKUJJZNCMMEUQQ-URBCHYCLSA-N -1 0 291.372 2.277 40 0 CEABRM O=C([O-])[C@]1(NC(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000001591473 304214110 /nfs/dbraw/zinc/21/41/10/304214110.db2.gz HQCMVKMWULKIRR-YOEHRIQHSA-N -1 0 281.311 2.427 40 0 in-vitro CEABRM CC(C)(C)OC(=O)N1CCC[C@@H](c2nocc2C(=O)[O-])C1 ZINC000072207752 256847211 /nfs/dbraw/zinc/84/72/11/256847211.db2.gz XRMMKKJZGRQYTF-SECBINFHSA-N -1 0 296.323 2.487 40 0 CEABRM O=C([O-])[C@@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000096516982 394694339 /nfs/dbraw/zinc/69/43/39/394694339.db2.gz YHDCQYAPEKKETQ-LLVKDONJSA-N -1 0 273.336 2.142 40 0 CEABRM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccco1 ZINC000096515664 394694454 /nfs/dbraw/zinc/69/44/54/394694454.db2.gz RMABJNHWPGZROQ-ZWNOBZJWSA-N -1 0 265.309 2.444 40 0 CEABRM COc1ccccc1-c1ccnc2c(C(=O)[O-])cnn21 ZINC000096517238 394694882 /nfs/dbraw/zinc/69/48/82/394694882.db2.gz NTJAGUPSKNEVNU-UHFFFAOYSA-N -1 0 269.260 2.103 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@@H](c1ccc(F)cc1)C2 ZINC000096530335 394698284 /nfs/dbraw/zinc/69/82/84/394698284.db2.gz GDTMFEUNDOJOFY-SNVBAGLBSA-N -1 0 261.256 2.196 40 0 CEABRM O=C([O-])[C@H]1CCCC(=O)N1Cc1ccccc1Cl ZINC000409427098 395304271 /nfs/dbraw/zinc/30/42/71/395304271.db2.gz HMQKNEJGCZHLBE-LLVKDONJSA-N -1 0 267.712 2.306 40 0 CEABRM COC(=O)C1=C([O-])c2ccccc2[C@@H](C(=O)OC)[C@H]1C ZINC000208036807 395474923 /nfs/dbraw/zinc/47/49/23/395474923.db2.gz YFWVFGYWECDQCR-KCJUWKMLSA-N -1 0 276.288 2.035 40 0 CEABRM O=C(C1=C(O)C(=C([O-])C(F)(F)F)CCC1)C(F)(F)F ZINC000100036599 304346536 /nfs/dbraw/zinc/34/65/36/304346536.db2.gz BGMWVJKEILRZEL-SYDPRGILSA-N -1 0 290.159 2.235 40 0 CEABRM CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195045 170366336 /nfs/dbraw/zinc/36/63/36/170366336.db2.gz RLNYEUKUKWJOGC-NNYUYHANSA-N -1 0 255.358 2.428 40 0 CEABRM CCCN1C(=O)S[C@@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000016740533 170711289 /nfs/dbraw/zinc/71/12/89/170711289.db2.gz PXFXUBCJCHCROP-SNVBAGLBSA-N -1 0 294.332 2.228 40 0 CEABRM COc1ccc(N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000022149552 171358062 /nfs/dbraw/zinc/35/80/62/171358062.db2.gz VNSFJPDSBIBZGU-UHFFFAOYSA-N -1 0 278.333 2.078 40 0 CEABRM CCOc1cccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000033443455 171802542 /nfs/dbraw/zinc/80/25/42/171802542.db2.gz YBVAPHOVBBQEGR-HVHJFMEUSA-N -1 0 291.347 2.324 40 0 CEABRM CN(C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000037358467 173148372 /nfs/dbraw/zinc/14/83/72/173148372.db2.gz JTTFSGDWSKNCSS-SECBINFHSA-N -1 0 258.115 2.136 40 0 CEABRM CC(C)(C)OC(=O)N1Cc2ccc(O)cc2C[C@@H]1C(=O)[O-] ZINC000091303231 278419568 /nfs/dbraw/zinc/41/95/68/278419568.db2.gz PUGASQAAOACKPI-GFCCVEGCSA-N -1 0 293.319 2.139 40 0 CEABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccon1)[C@@H]2C(=O)[O-] ZINC000013320691 278656969 /nfs/dbraw/zinc/65/69/69/278656969.db2.gz AEVBZBPNWTXFMP-OTMMVIPVSA-N -1 0 290.319 2.306 40 0 CEABRM CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCC(=O)[O-])C2 ZINC000001448477 281541737 /nfs/dbraw/zinc/54/17/37/281541737.db2.gz LORGYLUHSAMZCG-IMSIIYSGSA-N -1 0 253.342 2.182 40 0 CEABRM C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000005528298 297225117 /nfs/dbraw/zinc/22/51/17/297225117.db2.gz OENIZBQWTODIDU-LPWJVIDDSA-N -1 0 265.353 2.158 40 0 CEABRM C[S@](=O)c1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000005574376 300887213 /nfs/dbraw/zinc/88/72/13/300887213.db2.gz ZNCDFZLBNYSJKX-MRXNPFEDSA-N -1 0 252.213 2.141 40 0 CEABRM Cc1nn(-c2ccc(Br)cc2)nc1C(=O)[O-] ZINC000045920330 302725506 /nfs/dbraw/zinc/72/55/06/302725506.db2.gz SLSWMLAUWSGIOG-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM COc1ccc(CC2(C(=O)[O-])CCOCC2)cc1 ZINC000083351152 178380935 /nfs/dbraw/zinc/38/09/35/178380935.db2.gz DKDRUKVCBWPGRX-UHFFFAOYSA-N -1 0 250.294 2.119 40 0 CEABRM O=[S@@]([O-])c1c(F)cc(F)cc1Br ZINC000036533437 361848149 /nfs/dbraw/zinc/84/81/49/361848149.db2.gz JMTGSSOZFOLABW-UHFFFAOYSA-N -1 0 257.055 2.308 40 0 CEABRM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC000039383093 361988794 /nfs/dbraw/zinc/98/87/94/361988794.db2.gz OWZGHJNAVZKAIL-JTQLQIEISA-N -1 0 267.281 2.043 40 0 CEABRM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC000039383094 361989214 /nfs/dbraw/zinc/98/92/14/361989214.db2.gz OWZGHJNAVZKAIL-SNVBAGLBSA-N -1 0 267.281 2.043 40 0 CEABRM CCCc1nc(SC(=Cc2cccnc2)C(=O)[O-])n[nH]1 ZINC000007342267 343358686 /nfs/dbraw/zinc/35/86/86/343358686.db2.gz FQNNCZGIHQYLMA-YFHOEESVSA-N -1 0 290.348 2.370 40 0 CEABRM O=C([O-])c1cn([C@@H]2C[C@@H]2F)c2cc(F)c(F)cc2c1=O ZINC000034003622 343418993 /nfs/dbraw/zinc/41/89/93/343418993.db2.gz TVOYMYXRLULSCE-GXSJLCMTSA-N -1 0 283.205 2.261 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000118648653 344292179 /nfs/dbraw/zinc/29/21/79/344292179.db2.gz SFBZDQKMJLUZQF-AEJSXWLSSA-N -1 0 255.314 2.107 40 0 CEABRM O=C([O-])c1cc(OC(F)F)n(-c2ccccc2F)n1 ZINC000256050839 344647309 /nfs/dbraw/zinc/64/73/09/344647309.db2.gz GRRUZPCXQMBOBR-UHFFFAOYSA-N -1 0 272.182 2.311 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1c1ccncc1 ZINC000409443843 344890050 /nfs/dbraw/zinc/89/00/50/344890050.db2.gz VGCVBGJLICKXSN-RYUDHWBXSA-N -1 0 292.335 2.464 40 0 CEABRM Cc1cccc(OCC2(C(=O)[O-])CCOCC2)c1 ZINC000085390555 179047778 /nfs/dbraw/zinc/04/77/78/179047778.db2.gz ZBYXGUMIRYROKY-UHFFFAOYSA-N -1 0 250.294 2.255 40 0 CEABRM CCn1cc(C(=O)[O-])c(=O)c2cc(C)cc(OC)c21 ZINC000064874700 362797162 /nfs/dbraw/zinc/79/71/62/362797162.db2.gz CSILPBWXRXXZBK-UHFFFAOYSA-N -1 0 261.277 2.037 40 0 CEABRM CO[C@@]1(C(=O)[O-])CCn2c(C(=O)c3ccccc3)ccc21 ZINC000067665131 362916119 /nfs/dbraw/zinc/91/61/19/362916119.db2.gz GDFTXJNJRPKPJY-INIZCTEOSA-N -1 0 285.299 2.049 40 0 in-vitro CEABRM CCOC(=O)C1=C(C)NC(C(=O)[O-])=C[C@H]1c1ccccc1 ZINC000104347278 185978284 /nfs/dbraw/zinc/97/82/84/185978284.db2.gz ZFARVPXUSSXBTA-LBPRGKRZSA-N -1 0 287.315 2.179 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000071613099 363111043 /nfs/dbraw/zinc/11/10/43/363111043.db2.gz BCVDNYNGCYPVGC-MNOVXSKESA-N -1 0 292.335 2.117 40 0 CEABRM O=C([O-])Cc1ccc(Br)c(F)c1F ZINC000021985461 304088872 /nfs/dbraw/zinc/08/88/72/304088872.db2.gz OIGMFWLUUCQCFZ-UHFFFAOYSA-N -1 0 251.026 2.354 40 0 CEABRM CC[C@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC000001751951 361220937 /nfs/dbraw/zinc/22/09/37/361220937.db2.gz GOPBSXOHNWRZMU-SMDDNHRTSA-N -1 0 281.377 2.374 40 0 CEABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC[C@H]1CCCO1 ZINC000013813034 361442672 /nfs/dbraw/zinc/44/26/72/361442672.db2.gz MYFWZGKDBQSVJO-LLVKDONJSA-N -1 0 294.376 2.159 40 0 CEABRM Cc1ccc(Br)c2c(C(=O)[O-])n[nH]c21 ZINC000014985901 361462622 /nfs/dbraw/zinc/46/26/22/361462622.db2.gz UVWVWDCEUFZFEL-UHFFFAOYSA-N -1 0 255.071 2.332 40 0 CEABRM Cc1ccc(-c2c(C(=O)[O-])c(C)nc3ncnn32)cc1 ZINC000020368382 361583776 /nfs/dbraw/zinc/58/37/76/361583776.db2.gz QYHZQXPWTPTZLM-UHFFFAOYSA-N -1 0 268.276 2.106 40 0 CEABRM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000001621340 304107525 /nfs/dbraw/zinc/10/75/25/304107525.db2.gz BERSTTUHHVIHQK-NXEZZACHSA-N -1 0 287.319 2.392 40 0 in-vitro CEABRM O=C1N=C(c2ccccc2)OC1=C([O-])c1ccccc1 ZINC000100492496 364546617 /nfs/dbraw/zinc/54/66/17/364546617.db2.gz METLMJXTPCQNPN-AWEZNQCLSA-N -1 0 265.268 2.242 40 0 CEABRM COc1ccc(OC)c(C[C@H](OCC(C)C)C(=O)[O-])c1 ZINC000225116819 189744119 /nfs/dbraw/zinc/74/41/19/189744119.db2.gz AXRJDHSUKWOGDM-AWEZNQCLSA-N -1 0 282.336 2.372 40 0 CEABRM O=C([O-])Cc1cnc(Cc2cccc3ccccc32)[nH]c1=O ZINC000217388717 370195368 /nfs/dbraw/zinc/19/53/68/370195368.db2.gz WRRKWRWJNZSMGR-UHFFFAOYSA-N -1 0 294.310 2.141 40 0 CEABRM COc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c(F)c1 ZINC000223858989 370272066 /nfs/dbraw/zinc/27/20/66/370272066.db2.gz DCBFUALEKIFFIE-JTQLQIEISA-N -1 0 295.310 2.304 40 0 CEABRM O=C([O-])c1cnc(-c2cccc3ccccc32)[nH]c1=O ZINC000054439503 304275106 /nfs/dbraw/zinc/27/51/06/304275106.db2.gz XJLXFNAAIBNMRS-UHFFFAOYSA-N -1 0 266.256 2.288 40 0 CEABRM O=C([O-])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000075878884 304282909 /nfs/dbraw/zinc/28/29/09/304282909.db2.gz ZFYQFNWJHMOJIK-UHFFFAOYSA-N -1 0 258.155 2.454 40 0 CEABRM O=C([O-])C[C@H](CC(=O)N1CCSCC1)c1ccccc1 ZINC000217799205 130763548 /nfs/dbraw/zinc/76/35/48/130763548.db2.gz IPHNWWCDDWVALG-ZDUSSCGKSA-N -1 0 293.388 2.210 40 0 CEABRM O=C([O-])CCNC(=O)/C=C/c1cccc2ccccc12 ZINC000062715321 394569881 /nfs/dbraw/zinc/56/98/81/394569881.db2.gz LKPDLNJBFMOOFJ-CMDGGOBGSA-N -1 0 269.300 2.444 40 0 CEABRM C[C@@]1(C(=O)[O-])CC(c2ccc(Br)cc2)=NO1 ZINC000071981063 394591335 /nfs/dbraw/zinc/59/13/35/394591335.db2.gz LDURJPHYKJBKBX-NSHDSACASA-N -1 0 284.109 2.417 40 0 CEABRM CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2C(=O)[O-])CC1 ZINC000096516658 394694248 /nfs/dbraw/zinc/69/42/48/394694248.db2.gz FYDDZDRTKAPMOK-UHFFFAOYSA-N -1 0 295.339 2.222 40 0 CEABRM COCCOc1cc(OC(F)F)c(C(=O)[O-])s1 ZINC000096510877 394694309 /nfs/dbraw/zinc/69/43/09/394694309.db2.gz OJHOSGHWTDPBAF-UHFFFAOYSA-N -1 0 268.237 2.073 40 0 CEABRM CCC(=C([O-])c1cccc(F)c1)S(=O)(=O)CC ZINC000096518086 394695182 /nfs/dbraw/zinc/69/51/82/394695182.db2.gz BHLIRASDCCJOMP-LLVKDONJSA-N -1 0 258.314 2.222 40 0 CEABRM CC(C)Oc1ccccc1C1=NO[C@](C)(C(=O)[O-])C1 ZINC000096525930 394697024 /nfs/dbraw/zinc/69/70/24/394697024.db2.gz HCVHPQWNMQNPEM-AWEZNQCLSA-N -1 0 263.293 2.442 40 0 CEABRM Cc1nn2c(c1C(=O)[O-])N[C@H](c1ccc(F)cc1)C2 ZINC000096530337 394698448 /nfs/dbraw/zinc/69/84/48/394698448.db2.gz GDTMFEUNDOJOFY-JTQLQIEISA-N -1 0 261.256 2.196 40 0 CEABRM O=C([O-])[C@H]1CCCC(=O)N1Cc1ccc(Cl)cc1 ZINC000409427288 395304515 /nfs/dbraw/zinc/30/45/15/395304515.db2.gz IUMVJMVBOVSETQ-LLVKDONJSA-N -1 0 267.712 2.306 40 0 CEABRM COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)[O-])C[C@H]1C(C)C ZINC000030882289 292180723 /nfs/dbraw/zinc/18/07/23/292180723.db2.gz LRSSMMWCMYZCHF-IHRRRGAJSA-N -1 0 297.395 2.078 40 0 biogenic,in-vitro CEABRM CC[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O ZINC000003173774 169864776 /nfs/dbraw/zinc/86/47/76/169864776.db2.gz VBIKHPNZDSUHLR-KBPBESRZSA-N -1 0 286.331 2.477 40 0 CEABRM CCOc1ccc2[nH]c(C(=O)[O-])c(NC(C)=O)c2c1 ZINC000008325019 170331404 /nfs/dbraw/zinc/33/14/04/170331404.db2.gz VAZOUUKDINBMTH-UHFFFAOYSA-N -1 0 262.265 2.223 40 0 CEABRM O=C([O-])c1ccc(NC(=O)Cc2ccccc2)cc1O ZINC000019386640 170779575 /nfs/dbraw/zinc/77/95/75/170779575.db2.gz SHNCKPVRFMBVIN-UHFFFAOYSA-N -1 0 271.272 2.272 40 0 CEABRM CSc1cccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)c1 ZINC000020156312 171038923 /nfs/dbraw/zinc/03/89/23/171038923.db2.gz YUWZMNJVGUMTJT-UHFFFAOYSA-N -1 0 294.357 2.315 40 0 CEABRM CCc1c(C(=O)[O-])nnn1-c1cc(Cl)ccc1C ZINC000037312259 173114200 /nfs/dbraw/zinc/11/42/00/173114200.db2.gz FTCOUKAVMSOUBQ-UHFFFAOYSA-N -1 0 265.700 2.490 40 0 CEABRM CC(=O)N1CCC[C@](CCCc2ccccn2)(C(=O)[O-])C1 ZINC000072343784 176372278 /nfs/dbraw/zinc/37/22/78/176372278.db2.gz ZTGXSOGNQQHZFZ-INIZCTEOSA-N -1 0 290.363 2.118 40 0 CEABRM CC(=O)N1CCC(c2cc(CCC(=O)[O-])cc(C)n2)CC1 ZINC000072344312 176373002 /nfs/dbraw/zinc/37/30/02/176373002.db2.gz VQDUVRPBIKXYGW-UHFFFAOYSA-N -1 0 290.363 2.133 40 0 CEABRM Cc1cc(=O)n(-c2nccc(-c3ccccc3)n2)[n-]1 ZINC000072415093 176399887 /nfs/dbraw/zinc/39/98/87/176399887.db2.gz KEFBOKHCBCTEKR-UHFFFAOYSA-N -1 0 252.277 2.256 40 0 CEABRM COc1nc(C(=O)[O-])c(Cl)c(OC)c1Cl ZINC000001630920 295447368 /nfs/dbraw/zinc/44/73/68/295447368.db2.gz NSTOCIMDXNJPDO-UHFFFAOYSA-N -1 0 252.053 2.104 40 0 CEABRM C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@@H]3[C@H](O)C(C)(C)C[C@]123 ZINC000253388774 524624575 /nfs/dbraw/zinc/62/45/75/524624575.db2.gz WBLTVUMJMJIOGQ-LXRNVZLWSA-N -1 0 250.338 2.451 40 0 biogenic,in-vitro CEABRM COCCn1c(C(=O)[O-])cc2c1c1ccccc1n2C ZINC000106789153 230393845 /nfs/dbraw/zinc/39/38/45/230393845.db2.gz AQEAJIHXZZJQBF-UHFFFAOYSA-N -1 0 272.304 2.478 40 0 CEABRM CC(C)Cn1nc(-c2cccs2)cc(C(=O)[O-])c1=O ZINC000082463353 178039804 /nfs/dbraw/zinc/03/98/04/178039804.db2.gz ZXRSOWLVXYUWOV-UHFFFAOYSA-N -1 0 278.333 2.326 40 0 CEABRM CCCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000033440837 361779399 /nfs/dbraw/zinc/77/93/99/361779399.db2.gz RTEKDTMEPFRODD-OALRPVAKSA-N -1 0 277.320 2.078 40 0 CEABRM O=C([O-])C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000036635219 361849006 /nfs/dbraw/zinc/84/90/06/361849006.db2.gz DQZYRCPWEVAJNC-QMMMGPOBSA-N -1 0 285.708 2.383 40 0 CEABRM COc1ccc(Cl)cc1[C@@H]1NC[C@H](C(=O)[O-])S1 ZINC000005558960 343354811 /nfs/dbraw/zinc/35/48/11/343354811.db2.gz HCLGERQWCBMYNR-NXEZZACHSA-N -1 0 273.741 2.137 40 0 CEABRM O=C([O-])c1cnc2cc(N3CCCC3)c(F)cc2c1O ZINC000096515923 344240352 /nfs/dbraw/zinc/24/03/52/344240352.db2.gz UZKAPWNBMVHQHV-UHFFFAOYSA-N -1 0 276.267 2.378 40 0 CEABRM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CC(C)C)cc1 ZINC000049466627 362363812 /nfs/dbraw/zinc/36/38/12/362363812.db2.gz VAXGCCZSNJHNGA-HIFRSBDPSA-N -1 0 291.347 2.325 40 0 CEABRM CC(C)(C)[C@@]([NH3+])(C[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-] ZINC000138901229 344391470 /nfs/dbraw/zinc/39/14/70/344391470.db2.gz ZAVGJXRCZREIRJ-MLGOLLRUSA-N -1 0 293.363 2.148 40 0 CEABRM O=C([O-])[C@@H]1OCCc2c(Br)scc21 ZINC000307543150 344723483 /nfs/dbraw/zinc/72/34/83/344723483.db2.gz DXJUPPYJXVEQEY-ZCFIWIBFSA-N -1 0 263.112 2.209 40 0 CEABRM COC(=O)[C@@H](C)n1[n-]c(-c2cccs2)cc1=O ZINC000409440366 344889834 /nfs/dbraw/zinc/88/98/34/344889834.db2.gz SOZQPBHGOCUZHO-SSDOTTSWSA-N -1 0 252.295 2.051 40 0 CEABRM C[Si]1(C)C[C@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000584905830 345005176 /nfs/dbraw/zinc/00/51/76/345005176.db2.gz HQGNBIUFYSPCQM-GFCCVEGCSA-N -1 0 293.395 2.340 40 0 CEABRM CC1(C)C(=O)[C@]2(Br)CC[C@@]1(CC(=O)[O-])C2 ZINC000085398902 179051103 /nfs/dbraw/zinc/05/11/03/179051103.db2.gz QQTJORZXFODPRZ-MNOVXSKESA-N -1 0 275.142 2.374 40 0 CEABRM CCOC(=O)C=C([O-])c1cc(Br)c(C)o1 ZINC000085396768 179050186 /nfs/dbraw/zinc/05/01/86/179050186.db2.gz XZHGPGIIOUYAOZ-UHFFFAOYSA-N -1 0 275.098 2.486 40 0 CEABRM C[C@H](Oc1ccnc2c(F)ccc(F)c12)C(=O)[O-] ZINC000064875195 362798559 /nfs/dbraw/zinc/79/85/59/362798559.db2.gz AZEZZHJGZHKIEX-LURJTMIESA-N -1 0 253.204 2.365 40 0 CEABRM O=C([O-])C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000036925215 304026875 /nfs/dbraw/zinc/02/68/75/304026875.db2.gz GIQPNJXICXOHSG-UHFFFAOYSA-N -1 0 268.066 2.198 40 0 CEABRM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000000795428 361192053 /nfs/dbraw/zinc/19/20/53/361192053.db2.gz XKDPYFLXGSXHSW-NEPJUHHUSA-N -1 0 281.283 2.034 40 0 CEABRM CNc1nc([O-])c([C@H](C)c2c[nH]c3ccccc32)s1 ZINC000001566818 361209295 /nfs/dbraw/zinc/20/92/95/361209295.db2.gz LNAVOACFLBACSL-PRHODGIISA-N -1 0 273.361 2.489 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)-c1ccccc1C2=O ZINC000001598749 361211095 /nfs/dbraw/zinc/21/10/95/361211095.db2.gz PKTOAAZRAHSZCI-BQYQJAHWSA-N -1 0 293.278 2.477 40 0 CEABRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000001681534 361217617 /nfs/dbraw/zinc/21/76/17/361217617.db2.gz HMCWJDHEDIGUQT-BQYQJAHWSA-N -1 0 293.278 2.477 40 0 CEABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(F)c1 ZINC000004197934 361305645 /nfs/dbraw/zinc/30/56/45/361305645.db2.gz FANNLHCEDDRGKZ-DTVLGXAZSA-N -1 0 275.279 2.287 40 0 CEABRM CC(C)C[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000005633118 361333221 /nfs/dbraw/zinc/33/32/21/361333221.db2.gz GLCVPPIHYWFUKB-LLVKDONJSA-N -1 0 266.366 2.472 40 0 CEABRM COc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000011891132 361367311 /nfs/dbraw/zinc/36/73/11/361367311.db2.gz MKRMKVKLBRLHBQ-CQSZACIVSA-N -1 0 299.326 2.121 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2[C@H](C[C@H]1C(=O)[O-])[C@H]2C(F)(F)F ZINC000012506686 361386828 /nfs/dbraw/zinc/38/68/28/361386828.db2.gz AYEFRRLUMIYRFX-ULAWRXDQSA-N -1 0 295.257 2.257 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000012954701 361411954 /nfs/dbraw/zinc/41/19/54/361411954.db2.gz SDSRKQPMFMWNJA-UWVGGRQHSA-N -1 0 281.308 2.315 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])CC2 ZINC000095644229 364393607 /nfs/dbraw/zinc/39/36/07/364393607.db2.gz FBRWVUWBHWKVEH-AEJSXWLSSA-N -1 0 255.314 2.249 40 0 CEABRM Cc1nc(COc2ccc(F)cc2F)ncc1C(=O)[O-] ZINC000217400529 189709581 /nfs/dbraw/zinc/70/95/81/189709581.db2.gz GJTSBPKGMREDOQ-UHFFFAOYSA-N -1 0 280.230 2.340 40 0 CEABRM O=C([O-])c1cnc(COc2cccc3ccccc32)[nH]c1=O ZINC000217382727 370194867 /nfs/dbraw/zinc/19/48/67/370194867.db2.gz IXIMPXKBXJNZBA-UHFFFAOYSA-N -1 0 296.282 2.200 40 0 CEABRM CC(=O)c1cccc(OCc2ncc(C(=O)[O-])c(C)n2)c1 ZINC000217399266 370195264 /nfs/dbraw/zinc/19/52/64/370195264.db2.gz VAXORYGRRIFXCA-UHFFFAOYSA-N -1 0 286.287 2.265 40 0 CEABRM O=C([O-])[C@H]1[C@@H](OCc2ccccc2)C(=O)N1c1ccccc1 ZINC000218311783 370208766 /nfs/dbraw/zinc/20/87/66/370208766.db2.gz OZUIZLPNXVKGMZ-HUUCEWRRSA-N -1 0 297.310 2.072 40 0 CEABRM C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)[O-] ZINC000224973503 370284507 /nfs/dbraw/zinc/28/45/07/370284507.db2.gz NLAFOVGDBPVUOT-YFKPBYRVSA-N -1 0 255.324 2.098 40 0 CEABRM CCCNC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000225155020 370287257 /nfs/dbraw/zinc/28/72/57/370287257.db2.gz SFVUYHCSHCMBFC-UHFFFAOYSA-N -1 0 252.339 2.390 40 0 CEABRM O=C([O-])[C@@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001591474 304164548 /nfs/dbraw/zinc/16/45/48/304164548.db2.gz HQCMVKMWULKIRR-RHSMWYFYSA-N -1 0 281.311 2.427 40 0 in-vitro CEABRM O=C([O-])c1ccccc1CNc1cnn(CC(F)F)c1 ZINC000256052323 190004411 /nfs/dbraw/zinc/00/44/11/190004411.db2.gz MWBFMWDKZMRKDX-UHFFFAOYSA-N -1 0 281.262 2.459 40 0 CEABRM O=C([O-])c1c[nH]c2cccc(I)c12 ZINC000098180685 304218826 /nfs/dbraw/zinc/21/88/26/304218826.db2.gz BXGFEEUHEUALFB-UHFFFAOYSA-N -1 0 287.056 2.471 40 0 CEABRM CCO/C(=C\c1ccccc1OC)c1n[n-]c(=N)s1 ZINC000408718146 260028074 /nfs/dbraw/zinc/02/80/74/260028074.db2.gz MJSONLXXSZGGMG-FLIBITNWSA-N -1 0 277.349 2.494 40 0 CEABRM CC(C)Cn1ncc(C(=O)[O-])c1OCc1ccccn1 ZINC000095096620 184943717 /nfs/dbraw/zinc/94/37/17/184943717.db2.gz JFAQCGSDWURORB-UHFFFAOYSA-N -1 0 275.308 2.211 40 0 CEABRM O=C([O-])c1conc1[C@H](O)c1ccc(Cl)cc1 ZINC000504238892 304281805 /nfs/dbraw/zinc/28/18/05/304281805.db2.gz GCFNTLRMFUKTTR-SNVBAGLBSA-N -1 0 253.641 2.108 40 0 CEABRM O=C([O-])c1nc2cccc(F)c2n1C1CCOCC1 ZINC000255187395 304283518 /nfs/dbraw/zinc/28/35/18/304283518.db2.gz DFVSPFLRBOONTE-UHFFFAOYSA-N -1 0 264.256 2.225 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000006667157 394459478 /nfs/dbraw/zinc/45/94/78/394459478.db2.gz FAPUYTJXPPOQCI-JTQLQIEISA-N -1 0 266.684 2.053 40 0 CEABRM Cc1ccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1C ZINC000020156271 394471139 /nfs/dbraw/zinc/47/11/39/394471139.db2.gz ZQNUHXPLQKWZPE-UHFFFAOYSA-N -1 0 276.317 2.210 40 0 CEABRM C[C@H](c1ccccc1Cl)n1cc(C(=O)[O-])nn1 ZINC000096510218 394693533 /nfs/dbraw/zinc/69/35/33/394693533.db2.gz GDVGXLYNRVMJAX-SSDOTTSWSA-N -1 0 251.673 2.239 40 0 CEABRM O=C([O-])c1ccc(Cn2nc3c(cc2=O)CCCCC3)cc1 ZINC000096516133 394694216 /nfs/dbraw/zinc/69/42/16/394694216.db2.gz QEYIYYHAYOPISC-UHFFFAOYSA-N -1 0 298.342 2.259 40 0 CEABRM CCc1nn2c(c1C(=O)[O-])N[C@@H](c1ccc(OC)cc1)C2 ZINC000096530376 394698430 /nfs/dbraw/zinc/69/84/30/394698430.db2.gz WOQKCWXKSDPHJK-GFCCVEGCSA-N -1 0 287.319 2.319 40 0 CEABRM CNC(=S)Nc1ccc(Br)cc1C(=O)[O-] ZINC000196524296 395468802 /nfs/dbraw/zinc/46/88/02/395468802.db2.gz WXIQWBVOIHZTCF-UHFFFAOYSA-N -1 0 289.154 2.064 40 0 CEABRM CC[C@@H](C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000101291238 286777795 /nfs/dbraw/zinc/77/77/95/286777795.db2.gz LBTSSENZJINNDI-OSMZGAPFSA-N -1 0 261.321 2.459 40 0 CEABRM CC(C)(NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000005379452 170091588 /nfs/dbraw/zinc/09/15/88/170091588.db2.gz MAIXXLKEJDGGEF-UHFFFAOYSA-N -1 0 256.689 2.325 40 0 CEABRM Cc1ccc(O)c(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000005542053 170111047 /nfs/dbraw/zinc/11/10/47/170111047.db2.gz WVAZCZGLMOZWPG-OAACRXHESA-N -1 0 272.300 2.406 40 0 CEABRM Cn1cnnc1SC(=S)[N-]c1ccccc1 ZINC000006614996 170219228 /nfs/dbraw/zinc/21/92/28/170219228.db2.gz RPNLQJPIYLCECT-UHFFFAOYSA-N -1 0 250.352 2.304 40 0 CEABRM Cc1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000006726245 170233178 /nfs/dbraw/zinc/23/31/78/170233178.db2.gz VRAAQIVJRKYBIL-QPSCCSFWSA-N -1 0 287.359 2.358 40 0 CEABRM CCOC(=O)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000008577829 170341282 /nfs/dbraw/zinc/34/12/82/170341282.db2.gz UPTDWOFJWHJJDL-UHFFFAOYSA-N -1 0 252.295 2.190 40 0 CEABRM Cc1[nH]c(=S)n(C2CCCCC2)c(=O)c1CC(=O)[O-] ZINC000020156358 171039597 /nfs/dbraw/zinc/03/95/97/171039597.db2.gz FIEJCBUKRYTOPT-UHFFFAOYSA-N -1 0 282.365 2.347 40 0 CEABRM CCCC[C@@H](CC)C[NH+](CCC(=O)[O-])CCC(=O)[O-] ZINC000038652125 174150887 /nfs/dbraw/zinc/15/08/87/174150887.db2.gz OAHNQUKKWVAYGR-GFCCVEGCSA-N -1 0 273.373 2.454 40 0 CEABRM CC(=O)OCc1ccc(C(=O)[O-])cc1Br ZINC000039951895 174176224 /nfs/dbraw/zinc/17/62/24/174176224.db2.gz GGEQCBQMZSMHCO-UHFFFAOYSA-N -1 0 273.082 2.210 40 0 CEABRM CC(=O)N1CCC[C@@](CCCc2ccccn2)(C(=O)[O-])C1 ZINC000072343783 176371859 /nfs/dbraw/zinc/37/18/59/176371859.db2.gz ZTGXSOGNQQHZFZ-MRXNPFEDSA-N -1 0 290.363 2.118 40 0 CEABRM O=C([O-])c1cc(-c2ccccc2Cl)n[nH]c1=O ZINC000077058799 177169477 /nfs/dbraw/zinc/16/94/77/177169477.db2.gz WBJGOHUTCPJGPX-UHFFFAOYSA-N -1 0 250.641 2.201 40 0 CEABRM COc1cc2[nH]nc(C(=O)[O-])c2cc1Br ZINC000095635143 260555907 /nfs/dbraw/zinc/55/59/07/260555907.db2.gz NVYCZOPCDLFQNX-UHFFFAOYSA-N -1 0 271.070 2.032 40 0 CEABRM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cccc(C)c1 ZINC000000355967 278075627 /nfs/dbraw/zinc/07/56/27/278075627.db2.gz NSPMXKUWUQZFIF-RYUDHWBXSA-N -1 0 265.334 2.042 40 0 CEABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccon1)[C@H]2C(=O)[O-] ZINC000006731226 278656956 /nfs/dbraw/zinc/65/69/56/278656956.db2.gz AEVBZBPNWTXFMP-DTVLGXAZSA-N -1 0 290.319 2.306 40 0 CEABRM CO[C@]1(C(=O)[O-])CCn2c(C(=O)c3ccccc3)ccc21 ZINC000067665130 294797642 /nfs/dbraw/zinc/79/76/42/294797642.db2.gz GDFTXJNJRPKPJY-MRXNPFEDSA-N -1 0 285.299 2.049 40 0 in-vitro CEABRM COc1ccc(Cl)c2c(N)c(C(=O)[O-])cnc12 ZINC000047913082 295143374 /nfs/dbraw/zinc/14/33/74/295143374.db2.gz CBUYAOVBYIXNCN-UHFFFAOYSA-N -1 0 252.657 2.177 40 0 CEABRM Cc1ccc(-n2c(=O)c(CC(=O)[O-])c(C)[nH]c2=S)cc1 ZINC000020156369 301477098 /nfs/dbraw/zinc/47/70/98/301477098.db2.gz IBMMYGIBKLFRBO-UHFFFAOYSA-N -1 0 290.344 2.139 40 0 CEABRM CC(C)(C)OC(=O)COc1ccccc1C(=O)[O-] ZINC000090636314 333208311 /nfs/dbraw/zinc/20/83/11/333208311.db2.gz CLZZAEZVJOKUNM-UHFFFAOYSA-N -1 0 252.266 2.105 40 0 CEABRM COc1ccc(Cl)c2c(=O)ccn(CCC(=O)[O-])c12 ZINC000064874733 524188603 /nfs/dbraw/zinc/18/86/03/524188603.db2.gz USMMVRKYJYIXFE-UHFFFAOYSA-N -1 0 281.695 2.138 40 0 CEABRM Cc1cc(-n2cc(C(=O)[O-])nn2)ccc1Br ZINC000036666886 343423656 /nfs/dbraw/zinc/42/36/56/343423656.db2.gz QOONVYOFLYREAO-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM CCC/C=C/C=C/[C@@H](CCC(=O)OC)[C@@H](CO)C(=O)[O-] ZINC000049181460 362345802 /nfs/dbraw/zinc/34/58/02/362345802.db2.gz PVHUKALHRBPQNM-IDTHLQDFSA-N -1 0 284.352 2.161 40 0 biogenic,in-vitro CEABRM CC(C)(C)OC(=O)N1CCCc2c(cncc2C(=O)[O-])C1 ZINC000095828726 344237519 /nfs/dbraw/zinc/23/75/19/344237519.db2.gz XGLRSCFDQDKPDJ-UHFFFAOYSA-N -1 0 292.335 2.463 40 0 CEABRM C[C@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C(=O)[O-])O1 ZINC000225760659 344547391 /nfs/dbraw/zinc/54/73/91/344547391.db2.gz KXKZVTQSNMTKIP-VCQFTWBDSA-N -1 0 252.232 2.453 40 0 CEABRM CCCNc1nn(-c2cc(C)cc(C)c2)nc1C(=O)[O-] ZINC000256046330 344647021 /nfs/dbraw/zinc/64/70/21/344647021.db2.gz FHSYYMMYNPZOHU-UHFFFAOYSA-N -1 0 274.324 2.404 40 0 CEABRM Nc1ccc(Cl)cc1N1CCC(C(=O)[O-])CC1 ZINC000256049783 344647315 /nfs/dbraw/zinc/64/73/15/344647315.db2.gz BKUPYPSPOXSHRF-UHFFFAOYSA-N -1 0 254.717 2.223 40 0 CEABRM CCOC(=O)c1nnc(-c2ccccc2Cl)[n-]1 ZINC000085385836 179046097 /nfs/dbraw/zinc/04/60/97/179046097.db2.gz ATAKDVSTHBSPQO-UHFFFAOYSA-N -1 0 251.673 2.302 40 0 CEABRM O=C([O-])CS[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392108 363593803 /nfs/dbraw/zinc/59/38/03/363593803.db2.gz VSRGCGSISNYAGA-LBPRGKRZSA-N -1 0 295.360 2.215 40 0 CEABRM CC(C)Oc1ccccc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000000035008 361119026 /nfs/dbraw/zinc/11/90/26/361119026.db2.gz ZJDOVGPDRKBVER-CMPLNLGQSA-N -1 0 267.350 2.262 40 0 CEABRM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1OCC ZINC000000086120 361126650 /nfs/dbraw/zinc/12/66/50/361126650.db2.gz CJYQDKYTDWQPDL-MFKMUULPSA-N -1 0 297.376 2.272 40 0 CEABRM CCc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000001472441 361208091 /nfs/dbraw/zinc/20/80/91/361208091.db2.gz BOWCVXFRZPSSMB-YRNVUSSQSA-N -1 0 291.328 2.370 40 0 CEABRM C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000003593599 361285837 /nfs/dbraw/zinc/28/58/37/361285837.db2.gz LKRXXARJBFBMCE-RKDXNWHRSA-N -1 0 275.345 2.168 40 0 CEABRM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2CC[C@@H]1O2 ZINC000004614536 361324054 /nfs/dbraw/zinc/32/40/54/361324054.db2.gz PQYZQPSVUBGXDH-RHYQMDGZSA-N -1 0 295.722 2.157 40 0 CEABRM CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)[O-] ZINC000019504739 361539953 /nfs/dbraw/zinc/53/99/53/361539953.db2.gz YSLIBPDAYUDWOP-LJLILKBBSA-N -1 0 265.284 2.064 40 0 CEABRM Nc1c(F)c(F)c(C(=O)[O-])cc1Br ZINC000238632467 370773811 /nfs/dbraw/zinc/77/38/11/370773811.db2.gz MMEZYCSUXJMVOB-UHFFFAOYSA-N -1 0 252.014 2.008 40 0 CEABRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])CC2 ZINC000095644228 364393619 /nfs/dbraw/zinc/39/36/19/364393619.db2.gz FBRWVUWBHWKVEH-GUBZILKMSA-N -1 0 255.314 2.249 40 0 CEABRM CCCc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cl ZINC000103324708 364642248 /nfs/dbraw/zinc/64/22/48/364642248.db2.gz FHJRVJWAXMWNLG-UHFFFAOYSA-N -1 0 280.637 2.042 40 0 CEABRM O=C([O-])COc1c(Br)ccc2cccnc21 ZINC000225390552 370291397 /nfs/dbraw/zinc/29/13/97/370291397.db2.gz YGLOIHQJGCLHPJ-UHFFFAOYSA-N -1 0 282.093 2.461 40 0 CEABRM CC(C)(Nc1ccc(Br)nc1)C(=O)[O-] ZINC000225738243 370315351 /nfs/dbraw/zinc/31/53/51/370315351.db2.gz HSBINNPFCXSNRP-UHFFFAOYSA-N -1 0 259.103 2.119 40 0 CEABRM O=C([O-])c1ccc(OCc2noc(C(F)(F)F)n2)cc1 ZINC000226105910 370329249 /nfs/dbraw/zinc/32/92/49/370329249.db2.gz ICAQOZPPCVELEL-UHFFFAOYSA-N -1 0 288.181 2.366 40 0 CEABRM CCn1ncc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1F ZINC000252482930 371442709 /nfs/dbraw/zinc/44/27/09/371442709.db2.gz DQISXGVZAPZWMX-UHFFFAOYSA-N -1 0 297.355 2.460 40 0 CEABRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000001621342 304181366 /nfs/dbraw/zinc/18/13/66/304181366.db2.gz BERSTTUHHVIHQK-ZJUUUORDSA-N -1 0 287.319 2.392 40 0 in-vitro CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC1CCCCCC1 ZINC000102589585 304209883 /nfs/dbraw/zinc/20/98/83/304209883.db2.gz YQOYDGKIUYUEBF-XCCSTKFXSA-N -1 0 277.364 2.348 40 0 CEABRM O=C([O-])c1c(O)cnc2cccc(Br)c21 ZINC000084122373 304217798 /nfs/dbraw/zinc/21/77/98/304217798.db2.gz OMFPBBXZOAZAAZ-UHFFFAOYSA-N -1 0 268.066 2.401 40 0 CEABRM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cccs1 ZINC000000249492 169587125 /nfs/dbraw/zinc/58/71/25/169587125.db2.gz AMCBPKMBXSZUQK-UHFFFAOYSA-N -1 0 283.330 2.278 40 0 CEABRM O=C([O-])c1nocc1C(=O)c1ccc(Cl)cc1 ZINC000224967231 130806136 /nfs/dbraw/zinc/80/61/36/130806136.db2.gz BWLVKFWHOMVUQL-UHFFFAOYSA-N -1 0 251.625 2.257 40 0 CEABRM CCCn1nc(C(C)(C)C(=O)[O-])c2ccccc2c1=O ZINC000072209252 394592034 /nfs/dbraw/zinc/59/20/34/394592034.db2.gz OOGQLCBHICSLDD-UHFFFAOYSA-N -1 0 274.320 2.169 40 0 CEABRM Cc1noc([C@@H](C)NC(=O)Cc2ccccc2)c1C(=O)[O-] ZINC000096297016 394678714 /nfs/dbraw/zinc/67/87/14/394678714.db2.gz NQQRWTSUIPWAMR-SNVBAGLBSA-N -1 0 288.303 2.101 40 0 biogenic,in-vitro CEABRM C[C@@H](c1cccc(Br)c1)n1cc(C(=O)[O-])nn1 ZINC000096510225 394693539 /nfs/dbraw/zinc/69/35/39/394693539.db2.gz XURNSTJXFTXOKV-ZETCQYMHSA-N -1 0 296.124 2.348 40 0 CEABRM O=C([O-])c1cc(Br)c(=O)[nH]c1C(F)(F)F ZINC000096511257 394694080 /nfs/dbraw/zinc/69/40/80/394694080.db2.gz VCEYTOVSTMHLCJ-UHFFFAOYSA-N -1 0 286.003 2.267 40 0 CEABRM C[C@@H]1CCc2nn(Cc3ccc(C(=O)[O-])cc3)c(=O)cc2C1 ZINC000096516130 394694352 /nfs/dbraw/zinc/69/43/52/394694352.db2.gz RKKJAURVODWMKH-LLVKDONJSA-N -1 0 298.342 2.115 40 0 CEABRM O=C([O-])c1ccn(-c2cc(-c3ccc(F)cc3)ncn2)n1 ZINC000096517404 394695147 /nfs/dbraw/zinc/69/51/47/394695147.db2.gz XVLNHGWDXJHLHZ-UHFFFAOYSA-N -1 0 284.250 2.167 40 0 CEABRM O=C([O-])c1ccc(OCn2cc(Br)cn2)cc1 ZINC000096526245 394697400 /nfs/dbraw/zinc/69/74/00/394697400.db2.gz BUZCXLQMEQKCPT-UHFFFAOYSA-N -1 0 297.108 2.380 40 0 CEABRM O=C([O-])Cn1c2cc(F)ccc2nc1C1CCOCC1 ZINC000255188990 400316756 /nfs/dbraw/zinc/31/67/56/400316756.db2.gz MZCYYYBWOIHTTJ-UHFFFAOYSA-N -1 0 278.283 2.154 40 0 CEABRM CCOc1ccc(C(=O)[O-])cc1I ZINC000024737807 286561116 /nfs/dbraw/zinc/56/11/16/286561116.db2.gz BRYFLXAZXGXWLS-UHFFFAOYSA-N -1 0 292.072 2.388 40 0 CEABRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000006706783 170230864 /nfs/dbraw/zinc/23/08/64/170230864.db2.gz VHYZRTUKONKUMZ-UHFFFAOYSA-N -1 0 277.349 2.203 40 0 CEABRM Cc1ccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)[O-])cc1 ZINC000008700632 170346818 /nfs/dbraw/zinc/34/68/18/170346818.db2.gz DROMKHRRVLLBPM-VXGBXAGGSA-N -1 0 295.335 2.006 40 0 CEABRM CC(C)OC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000008732323 170351446 /nfs/dbraw/zinc/35/14/46/170351446.db2.gz CGRQLRXEDXDCHV-UHFFFAOYSA-N -1 0 279.292 2.055 40 0 CEABRM CC(C)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000013813500 170597187 /nfs/dbraw/zinc/59/71/87/170597187.db2.gz ILPLNQPFSLKDEJ-UHFFFAOYSA-N -1 0 252.339 2.009 40 0 CEABRM CC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000020503436 171227891 /nfs/dbraw/zinc/22/78/91/171227891.db2.gz FYKIBHPJTCQDEQ-UHFFFAOYSA-N -1 0 251.282 2.135 40 0 CEABRM O=C([O-])[C@@H]1CC(c2ccc(Br)cc2)=NO1 ZINC000020594113 171263419 /nfs/dbraw/zinc/26/34/19/171263419.db2.gz MJNHEEPMKFZLMK-VIFPVBQESA-N -1 0 270.082 2.027 40 0 CEABRM COc1cc(C(=O)[O-])cc(OC)c1OCc1ccccn1 ZINC000021952230 171340209 /nfs/dbraw/zinc/34/02/09/171340209.db2.gz MREBYOPLZPSSGM-UHFFFAOYSA-N -1 0 289.287 2.376 40 0 CEABRM CCN(CC)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000057367105 175595816 /nfs/dbraw/zinc/59/58/16/175595816.db2.gz DNGHQUYPFIOLTN-GFCCVEGCSA-N -1 0 290.363 2.279 40 0 CEABRM O=C([O-])CCc1cnn(CCOCc2ccccc2)c1 ZINC000585142790 419419052 /nfs/dbraw/zinc/41/90/52/419419052.db2.gz BOBNWPFJOBJKCB-UHFFFAOYSA-N -1 0 274.320 2.117 40 0 CEABRM COc1ccc(S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000001675842 295201394 /nfs/dbraw/zinc/20/13/94/295201394.db2.gz VVTQUYHSQKTELO-UHFFFAOYSA-N -1 0 292.312 2.226 40 0 CEABRM C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000005528299 297225085 /nfs/dbraw/zinc/22/50/85/297225085.db2.gz VHLOFPCUCDQZIB-LPWJVIDDSA-N -1 0 267.369 2.382 40 0 CEABRM Cc1cc(S(=O)(=O)[O-])ccc1Br ZINC000001644074 301402230 /nfs/dbraw/zinc/40/22/30/301402230.db2.gz LHCSRGCJHCBUMZ-UHFFFAOYSA-N -1 0 251.101 2.004 40 0 CEABRM Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004005822 301642477 /nfs/dbraw/zinc/64/24/77/301642477.db2.gz OXHUPWPUYMDCTL-WVWOOGAGSA-N -1 0 271.316 2.456 40 0 CEABRM O=C([O-])C[C@@H]1CNC(=O)c2cc(-c3ccccc3F)cn21 ZINC000032918541 361765895 /nfs/dbraw/zinc/76/58/95/361765895.db2.gz KCZKCLXJUDGXTQ-SNVBAGLBSA-N -1 0 288.278 2.053 40 0 CEABRM Cc1ccc(C)c(Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000041670453 362046503 /nfs/dbraw/zinc/04/65/03/362046503.db2.gz ZWRJZBSIHMNYKC-UHFFFAOYSA-N -1 0 257.289 2.212 40 0 CEABRM Cc1ccc(-n2cc(C(=O)[O-])nn2)c(Br)c1 ZINC000036666785 343423781 /nfs/dbraw/zinc/42/37/81/343423781.db2.gz ZYMOYPCBFIBVSY-UHFFFAOYSA-N -1 0 282.097 2.036 40 0 CEABRM CCC/C=C/C=C/[C@H](CCC(=O)OC)[C@H](CO)C(=O)[O-] ZINC000049181469 362345506 /nfs/dbraw/zinc/34/55/06/362345506.db2.gz PVHUKALHRBPQNM-IOJRMFQUSA-N -1 0 284.352 2.161 40 0 biogenic,in-vitro CEABRM CCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000049466691 362363761 /nfs/dbraw/zinc/36/37/61/362363761.db2.gz NGDIRWAMOFFFGM-GXTWGEPZSA-N -1 0 277.320 2.079 40 0 CEABRM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](CC(=O)[O-])CO2)C1 ZINC000110915030 344270124 /nfs/dbraw/zinc/27/01/24/344270124.db2.gz UPSVEAPCGVVPTN-IAQYHMDHSA-N -1 0 299.367 2.267 40 0 CEABRM O=C([O-])c1cccn(Cc2ccc(Cl)s2)c1=O ZINC000049843359 362379909 /nfs/dbraw/zinc/37/99/09/362379909.db2.gz SOQQGAAGHRWEBE-UHFFFAOYSA-N -1 0 269.709 2.310 40 0 CEABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1c1cccnc1 ZINC000396149387 344845895 /nfs/dbraw/zinc/84/58/95/344845895.db2.gz IRYZLPTYEPXCMO-NEPJUHHUSA-N -1 0 292.335 2.464 40 0 CEABRM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(Br)c1 ZINC000057980329 362603836 /nfs/dbraw/zinc/60/38/36/362603836.db2.gz IWZTUAKGAAAFBP-GXSJLCMTSA-N -1 0 298.136 2.053 40 0 CEABRM C[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000097463421 185611366 /nfs/dbraw/zinc/61/13/66/185611366.db2.gz DUKUKJFQHYTCIA-JQWIXIFHSA-N -1 0 263.293 2.118 40 0 CEABRM O=C([O-])CCc1nc2c(cccc2Br)[nH]1 ZINC000085399024 179051349 /nfs/dbraw/zinc/05/13/49/179051349.db2.gz ZVNKPHKEGVTWLS-UHFFFAOYSA-N -1 0 269.098 2.343 40 0 CEABRM CCc1cccc2sc(N3CC(C(=O)[O-])C3)nc21 ZINC000061957908 362700920 /nfs/dbraw/zinc/70/09/20/362700920.db2.gz DLPUNOFYNCFOGV-UHFFFAOYSA-N -1 0 262.334 2.380 40 0 CEABRM Cc1ccc(S(=O)(=O)[O-])c(C)c1Br ZINC000001628161 301697831 /nfs/dbraw/zinc/69/78/31/301697831.db2.gz RPSGCFRLOUNJIH-UHFFFAOYSA-N -1 0 265.128 2.313 40 0 CEABRM O=C([O-])CCc1nc(-c2c(F)cccc2F)no1 ZINC000089262122 179761796 /nfs/dbraw/zinc/76/17/96/179761796.db2.gz MXLQYQQMLDGIEC-UHFFFAOYSA-N -1 0 254.192 2.032 40 0 CEABRM CCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583234 169813716 /nfs/dbraw/zinc/81/37/16/169813716.db2.gz QKKXUPOTWZRRLS-VIFPVBQESA-N -1 0 277.386 2.498 40 0 CEABRM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000074934417 363424280 /nfs/dbraw/zinc/42/42/80/363424280.db2.gz KSVPTRFUYYNJLY-UHFFFAOYSA-N -1 0 295.291 2.325 40 0 CEABRM Cc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)no1 ZINC000575410757 366281236 /nfs/dbraw/zinc/28/12/36/366281236.db2.gz FYDQCBMWUKXYOX-DZGCQCFKSA-N -1 0 297.314 2.153 40 0 CEABRM C[C@@H](CO)CCC[C@@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000031159056 295975122 /nfs/dbraw/zinc/97/51/22/295975122.db2.gz ISHXRANDGDVGJS-MEBBXXQBSA-N -1 0 282.336 2.097 40 0 biogenic,in-vitro CEABRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@H](O)c1ccccc1-2 ZINC000001602357 361211225 /nfs/dbraw/zinc/21/12/25/361211225.db2.gz FTKIFEVGBKEJPV-IWAYRVGRSA-N -1 0 295.294 2.328 40 0 CEABRM O=C([O-])CCc1cccc(N(CCF)CCF)c1 ZINC000001713475 361218361 /nfs/dbraw/zinc/21/83/61/361218361.db2.gz PVCKFWPANVOENB-UHFFFAOYSA-N -1 0 257.280 2.449 40 0 CEABRM CCn1c2ccccc2n2c(SCCC(=O)[O-])nnc12 ZINC000002859113 361255687 /nfs/dbraw/zinc/25/56/87/361255687.db2.gz QJOSWJQNGVJFPX-UHFFFAOYSA-N -1 0 290.348 2.271 40 0 CEABRM C[C@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000004172247 361304163 /nfs/dbraw/zinc/30/41/63/361304163.db2.gz QOWWSEMCPLUMAE-RWYOIZDWSA-N -1 0 297.310 2.086 40 0 CEABRM O=C([O-])c1cccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1 ZINC000004203911 361305289 /nfs/dbraw/zinc/30/52/89/361305289.db2.gz OFHSSZSILFRLMN-UHFFFAOYSA-N -1 0 285.299 2.373 40 0 CEABRM CCc1c(C(=O)[O-])nnn1-c1ccccc1Cl ZINC000011759051 361363788 /nfs/dbraw/zinc/36/37/88/361363788.db2.gz MECAGPZJRZEHCF-UHFFFAOYSA-N -1 0 251.673 2.181 40 0 CEABRM Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1C ZINC000013119493 361419463 /nfs/dbraw/zinc/41/94/63/361419463.db2.gz WMOZYZPOGVOBEI-DGAVXFQQSA-N -1 0 289.331 2.120 40 0 CEABRM Nc1c(C(=O)[O-])cc(Br)c2ncccc12 ZINC000026439121 361640170 /nfs/dbraw/zinc/64/01/70/361640170.db2.gz LJDPHYJRPFVBBS-UHFFFAOYSA-N -1 0 267.082 2.278 40 0 CEABRM CC1CCN(c2ncc(C(=O)[O-])c(C3CC3)n2)CC1 ZINC000096516671 364425301 /nfs/dbraw/zinc/42/53/01/364425301.db2.gz WBFZGDTTZHMYFO-UHFFFAOYSA-N -1 0 261.325 2.289 40 0 CEABRM CCOc1ccc(NC=C2SC([O-])=NC2=O)cc1 ZINC000101279337 364555969 /nfs/dbraw/zinc/55/59/69/364555969.db2.gz JFEHRYKWZQQOKE-YFHOEESVSA-N -1 0 264.306 2.322 40 0 CEABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCCc1ccccc1 ZINC000101900635 364577449 /nfs/dbraw/zinc/57/74/49/364577449.db2.gz IKFYJFIRVYEOFG-FZKCQIBNSA-N -1 0 299.370 2.258 40 0 CEABRM Cc1c(NC(=S)NC[C@H]2CCCO2)cccc1C(=O)[O-] ZINC000225155224 189744637 /nfs/dbraw/zinc/74/46/37/189744637.db2.gz XGHGOFRDNCMKSX-SNVBAGLBSA-N -1 0 294.376 2.159 40 0 CEABRM COc1ccc(OC)c(C[C@@H](OC(C)C)C(=O)[O-])c1 ZINC000225116604 370285327 /nfs/dbraw/zinc/28/53/27/370285327.db2.gz IWTFTVMXADIRBF-CYBMUJFWSA-N -1 0 268.309 2.125 40 0 CEABRM CCCCc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000225149979 370285753 /nfs/dbraw/zinc/28/57/53/370285753.db2.gz FDSBLZQUVOKTJN-INIZCTEOSA-N -1 0 291.391 2.357 40 0 CEABRM CC(=O)c1ccc(-c2ccc(C=C3NC(=O)[N-]C3=O)o2)cc1 ZINC000409049091 375517928 /nfs/dbraw/zinc/51/79/28/375517928.db2.gz WDPYDMSHGRUMBP-MDWZMJQESA-N -1 0 296.282 2.330 40 0 CEABRM CC(C)(C)OC(=O)N1CC=C(CCC(=O)[O-])CC1 ZINC000257243515 190018292 /nfs/dbraw/zinc/01/82/92/190018292.db2.gz IHIQRDMAHVHFCC-UHFFFAOYSA-N -1 0 255.314 2.418 40 0 CEABRM O=C([O-])c1cncn1Cc1ccc(Br)cc1 ZINC000073738907 394604823 /nfs/dbraw/zinc/60/48/23/394604823.db2.gz HXLMWXJODNMOQM-UHFFFAOYSA-N -1 0 281.109 2.392 40 0 CEABRM CC(C)Oc1ccc(C2=NO[C@@](C)(C(=O)[O-])C2)cc1 ZINC000096525921 394697455 /nfs/dbraw/zinc/69/74/55/394697455.db2.gz ZRMWDAIRYQXNTJ-CQSZACIVSA-N -1 0 263.293 2.442 40 0 CEABRM O=C([O-])[C@@H]1CCCC(=O)N1Cc1ccccc1Cl ZINC000409427108 395304366 /nfs/dbraw/zinc/30/43/66/395304366.db2.gz HMQKNEJGCZHLBE-NSHDSACASA-N -1 0 267.712 2.306 40 0 CEABRM O=C([O-])c1cc(C(F)(F)F)n(Cc2cccnc2)n1 ZINC000255189346 400316884 /nfs/dbraw/zinc/31/68/84/400316884.db2.gz PFNCXZBSHPJPIF-UHFFFAOYSA-N -1 0 271.198 2.043 40 0 CEABRM CC[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O ZINC000003173779 169864640 /nfs/dbraw/zinc/86/46/40/169864640.db2.gz VBIKHPNZDSUHLR-ZIAGYGMSSA-N -1 0 286.331 2.477 40 0 CEABRM Cc1cc(C)nc(NC(=O)c2ccccc2C(=O)[O-])n1 ZINC000004977232 170048101 /nfs/dbraw/zinc/04/81/01/170048101.db2.gz PRQCBFCGWUUCSY-UHFFFAOYSA-N -1 0 271.276 2.044 40 0 CEABRM CC(=O)N[C@H](C(=O)[O-])C(C)(C)SCc1ccccc1 ZINC000005663189 170125015 /nfs/dbraw/zinc/12/50/15/170125015.db2.gz YCXNOWANLXLFKW-GFCCVEGCSA-N -1 0 281.377 2.288 40 0 CEABRM C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1 ZINC000006715590 170231452 /nfs/dbraw/zinc/23/14/52/170231452.db2.gz ARNLQRRWEIVOLL-LPUQOGTASA-N -1 0 288.347 2.006 40 0 CEABRM O=C([O-])[C@@H]1CC(c2cc(Br)ccc2F)=NO1 ZINC000020594071 171263313 /nfs/dbraw/zinc/26/33/13/171263313.db2.gz UNIUOHNYWIGZPY-VIFPVBQESA-N -1 0 288.072 2.166 40 0 CEABRM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccco1 ZINC000033413916 171790710 /nfs/dbraw/zinc/79/07/10/171790710.db2.gz QGCQVCWKQODWJO-QWHCGFSZSA-N -1 0 271.272 2.275 40 0 CEABRM CC[C@H](C)N(CC)C(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000100486999 287592380 /nfs/dbraw/zinc/59/23/80/287592380.db2.gz LOVSRDCEAGXGQK-JTQLQIEISA-N -1 0 267.369 2.208 40 0 CEABRM CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000006667158 281656098 /nfs/dbraw/zinc/65/60/98/281656098.db2.gz FAPUYTJXPPOQCI-SNVBAGLBSA-N -1 0 266.684 2.053 40 0 CEABRM CN(CCNC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000001739122 289673344 /nfs/dbraw/zinc/67/33/44/289673344.db2.gz LQDXWJLIBLVAMR-UHFFFAOYSA-N -1 0 298.342 2.251 40 0 CEABRM Cc1cc(F)ccc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000235400815 301310215 /nfs/dbraw/zinc/31/02/15/301310215.db2.gz AMHVXUFGFQASLL-NOZJJQNGSA-N -1 0 279.311 2.459 40 0 CEABRM Cc1cc2c(c(=O)n1CCC(=O)[O-])C=C1CCCC[C@@H]1O2 ZINC000257280530 301436016 /nfs/dbraw/zinc/43/60/16/301436016.db2.gz OLGAGUYSWCRXCM-ZDUSSCGKSA-N -1 0 289.331 2.350 40 0 CEABRM CCN1c2ccc(Cl)cc2OC[C@H]1CC(=O)[O-] ZINC000409423642 568586069 /nfs/dbraw/zinc/58/60/69/568586069.db2.gz UAKJTUIGHCKLCD-SECBINFHSA-N -1 0 255.701 2.402 40 0 CEABRM COC1(OC)CC(C(=O)[O-])(c2cc(C)ccc2C)C1 ZINC000685936934 570388840 /nfs/dbraw/zinc/38/88/40/570388840.db2.gz CSGJVDODSVSSMR-UHFFFAOYSA-N -1 0 264.321 2.409 40 0 CEABRM CC(C)CCC[C@H](C)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000036617524 361848466 /nfs/dbraw/zinc/84/84/66/361848466.db2.gz WXJXEOAIMHWLHP-JTQLQIEISA-N -1 0 281.356 2.063 40 0 CEABRM Cc1ccc(C)c(N2C(=O)S[C@H](CC(=O)[O-])C2=O)c1 ZINC000036635196 361849178 /nfs/dbraw/zinc/84/91/78/361849178.db2.gz JHWHUTMRZQKRFC-SNVBAGLBSA-N -1 0 279.317 2.347 40 0 CEABRM CN1CCCc2ccc([N-]S(=O)(=O)C(F)(F)F)cc21 ZINC000038540533 361987042 /nfs/dbraw/zinc/98/70/42/361987042.db2.gz LGTDNGCHLBWUPH-UHFFFAOYSA-N -1 0 294.298 2.331 40 0 CEABRM Cc1nn(CCC(F)(F)F)cc1-c1n[n-]c(=N)s1 ZINC000408717877 539289150 /nfs/dbraw/zinc/28/91/50/539289150.db2.gz YZTYEKVSMBWCQR-UHFFFAOYSA-N -1 0 277.275 2.075 40 0 CEABRM CCCc1nnc(COc2ccc(C(=O)[O-])cc2)o1 ZINC000008731383 343362903 /nfs/dbraw/zinc/36/29/03/343362903.db2.gz GTDAVOSMVMBERU-UHFFFAOYSA-N -1 0 262.265 2.299 40 0 CEABRM CC1=C(C#N)c2nc3ccccc3n2C(=O)[C@H]1CCC(=O)[O-] ZINC000039926980 343436258 /nfs/dbraw/zinc/43/62/58/343436258.db2.gz TUVHCHOPCFCURG-JTQLQIEISA-N -1 0 295.298 2.468 40 0 CEABRM CCc1ccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)cc1 ZINC000256047784 344647056 /nfs/dbraw/zinc/64/70/56/344647056.db2.gz ORZMYZKBOCITKG-UHFFFAOYSA-N -1 0 286.335 2.128 40 0 CEABRM CCc1ccc(OCc2ncc(C(=O)[O-])cn2)cc1 ZINC000057328463 362577131 /nfs/dbraw/zinc/57/71/31/362577131.db2.gz DCTWNFDMWYZGLQ-UHFFFAOYSA-N -1 0 258.277 2.316 40 0 CEABRM Cc1ccc(OCc2ncc(C(=O)[O-])cn2)cc1C ZINC000058042368 362606091 /nfs/dbraw/zinc/60/60/91/362606091.db2.gz YQEWKWRVFZOXLP-UHFFFAOYSA-N -1 0 258.277 2.371 40 0 CEABRM O=C([O-])C1(Oc2cccc(Br)c2)CC1 ZINC000085392350 179048538 /nfs/dbraw/zinc/04/85/38/179048538.db2.gz MQKAVDFGJCZVBF-UHFFFAOYSA-N -1 0 257.083 2.445 40 0 CEABRM CCCOc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000085394660 179049249 /nfs/dbraw/zinc/04/92/49/179049249.db2.gz CNONTBIMBXDNNI-AAEUAGOBSA-N -1 0 264.277 2.164 40 0 CEABRM CCCOc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1 ZINC000085394651 179049312 /nfs/dbraw/zinc/04/93/12/179049312.db2.gz CNONTBIMBXDNNI-YPMHNXCESA-N -1 0 264.277 2.164 40 0 CEABRM O=C([O-])CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013560472 304050355 /nfs/dbraw/zinc/05/03/55/304050355.db2.gz NJUKVGCFDZUOHB-UHFFFAOYSA-N -1 0 280.368 2.119 40 0 CEABRM Cc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)no1 ZINC000575410760 366281464 /nfs/dbraw/zinc/28/14/64/366281464.db2.gz FYDQCBMWUKXYOX-UKRRQHHQSA-N -1 0 297.314 2.153 40 0 CEABRM CCOn1c(-c2cccs2)nc(C)c1C(=O)[O-] ZINC000575410813 366281668 /nfs/dbraw/zinc/28/16/68/366281668.db2.gz CFJLIZQYHFTXDJ-UHFFFAOYSA-N -1 0 252.295 2.067 40 0 CEABRM CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CCC(=O)[O-] ZINC000299803603 200881927 /nfs/dbraw/zinc/88/19/27/200881927.db2.gz FBXFSASBSCSCPW-WDEREUQCSA-N -1 0 289.372 2.296 40 0 CEABRM CC(=O)Oc1ccc2ccccc2c1CS(=O)(=O)[O-] ZINC000001735385 361220938 /nfs/dbraw/zinc/22/09/38/361220938.db2.gz OLFLYTNWFZRDAX-UHFFFAOYSA-N -1 0 280.301 2.153 40 0 CEABRM C[C@@H](Nc1ncnc2cc(Cl)ccc21)C(=O)[O-] ZINC000004294379 361310803 /nfs/dbraw/zinc/31/08/03/361310803.db2.gz DUZIJEJRCLZUGZ-ZCFIWIBFSA-N -1 0 251.673 2.168 40 0 CEABRM CSc1nc2cc3c(cc2n1CC(=O)[O-])OCCCO3 ZINC000005335926 361331912 /nfs/dbraw/zinc/33/19/12/361331912.db2.gz VJYGNSXJDVZBQP-UHFFFAOYSA-N -1 0 294.332 2.004 40 0 CEABRM Cc1nc2nc(C)c(C(=O)[O-])c(-c3ccccc3)n2n1 ZINC000020294564 361583753 /nfs/dbraw/zinc/58/37/53/361583753.db2.gz WIKQQSHCEAXYDL-UHFFFAOYSA-N -1 0 268.276 2.106 40 0 CEABRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2 ZINC000091302517 364069793 /nfs/dbraw/zinc/06/97/93/364069793.db2.gz BICQNBQLGTZYCQ-BBBLOLIVSA-N -1 0 255.314 2.107 40 0 CEABRM COc1ccccc1C([O-])=C1N=C(c2ccccc2)OC1=O ZINC000104089029 364675829 /nfs/dbraw/zinc/67/58/29/364675829.db2.gz KWIVEAYJXCXFMG-AWEZNQCLSA-N -1 0 295.294 2.250 40 0 CEABRM O=C([O-])c1nc(Br)ccc1OC(F)F ZINC000218313589 370208450 /nfs/dbraw/zinc/20/84/50/370208450.db2.gz GTMVSJBBVBKZFB-UHFFFAOYSA-N -1 0 268.013 2.144 40 0 CEABRM C[C@@H](Cn1cc(Br)c(C(F)F)n1)C(=O)[O-] ZINC000408715759 375515919 /nfs/dbraw/zinc/51/59/19/375515919.db2.gz DHACDRZMXMBKDD-BYPYZUCNSA-N -1 0 283.072 2.304 40 0 CEABRM Nc1nn(Cc2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000408715863 375516313 /nfs/dbraw/zinc/51/63/13/375516313.db2.gz GADRONZFKGZQHQ-UHFFFAOYSA-N -1 0 286.118 2.349 40 0 CEABRM O=C([O-])c1ccc2c(c1)CN(C1CCCC1)C(=O)CO2 ZINC000096032000 304252923 /nfs/dbraw/zinc/25/29/23/304252923.db2.gz SCNJRLMFMCURHH-UHFFFAOYSA-N -1 0 275.304 2.048 40 0 CEABRM O=C([O-])c1cn(-c2cccc(Br)c2)cn1 ZINC000050225927 304274109 /nfs/dbraw/zinc/27/41/09/304274109.db2.gz SDRYSGMVWHIYED-UHFFFAOYSA-N -1 0 267.082 2.333 40 0 CEABRM O=C([O-])CCSc1ccc2c(c1)CCC(=O)N2 ZINC000218812649 130770952 /nfs/dbraw/zinc/77/09/52/130770952.db2.gz SHMMRZAPIKGYHC-UHFFFAOYSA-N -1 0 251.307 2.138 40 0 CEABRM C[C@@H](C(=O)[O-])N(C)c1ccc(Br)cc1 ZINC000224989735 130806544 /nfs/dbraw/zinc/80/65/44/130806544.db2.gz MZQPWTOAKVLRRD-ZETCQYMHSA-N -1 0 258.115 2.358 40 0 CEABRM CC1=C(C)CC2(C(=O)NC(=S)NC2=O)[C@H](C)C1 ZINC000006030616 394459721 /nfs/dbraw/zinc/45/97/21/394459721.db2.gz MPUNOTZOFTXVOA-MRVPVSSYSA-N -1 0 252.339 2.110 40 0 CEABRM C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]21 ZINC000003899174 299699557 /nfs/dbraw/zinc/69/95/57/299699557.db2.gz OFARKPJWSCWOBZ-TVYUQYBPSA-N -1 0 285.299 2.086 40 0 CEABRM COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000002568878 169810789 /nfs/dbraw/zinc/81/07/89/169810789.db2.gz BIZXJOLLOODDNH-QOBDMFJFSA-N -1 0 287.315 2.157 40 0 CEABRM COc1ccccc1-c1nsc(C(=O)[O-])c1N ZINC000005486481 170103772 /nfs/dbraw/zinc/10/37/72/170103772.db2.gz FUIFRKUHXPSGJL-UHFFFAOYSA-N -1 0 250.279 2.099 40 0 CEABRM CC[C@@H]1CCc2c(OC)ccc(OCC(=O)[O-])c2C1=O ZINC000005812992 170142404 /nfs/dbraw/zinc/14/24/04/170142404.db2.gz JNPDNMQAHDWJFN-SECBINFHSA-N -1 0 278.304 2.314 40 0 CEABRM O=CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000006575139 170214942 /nfs/dbraw/zinc/21/49/42/170214942.db2.gz GKJKRZKRFGEWHR-MRXNPFEDSA-N -1 0 299.326 2.007 40 0 CEABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000006741735 170237720 /nfs/dbraw/zinc/23/77/20/170237720.db2.gz MCZUVQZPNUJZTA-XWUBHJNHSA-N -1 0 291.322 2.189 40 0 CEABRM CCOC(=O)c1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000016159664 170689249 /nfs/dbraw/zinc/68/92/49/170689249.db2.gz BUEHLOFVAJZZLE-UHFFFAOYSA-N -1 0 269.200 2.037 40 0 CEABRM Cc1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1N ZINC000040469951 174278371 /nfs/dbraw/zinc/27/83/71/174278371.db2.gz MQBGEDFJGPIOJO-UHFFFAOYSA-N -1 0 286.287 2.233 40 0 CEABRM COc1ccc(-c2noc(C)c2C(=O)[O-])c(OC)c1OC ZINC000070426670 175922949 /nfs/dbraw/zinc/92/29/49/175922949.db2.gz YNZAASAQGXWDCP-UHFFFAOYSA-N -1 0 293.275 2.374 40 0 CEABRM CCC(=O)N1CCC[C@H]1c1nccnc1[N-]c1ncccn1 ZINC000072384750 176388829 /nfs/dbraw/zinc/38/88/29/176388829.db2.gz HDGNILYMGKRTRE-NSHDSACASA-N -1 0 298.350 2.084 40 0 CEABRM CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)CC(=O)N1 ZINC000044563700 281656195 /nfs/dbraw/zinc/65/61/95/281656195.db2.gz LEUWBMAQQQENOO-JTQLQIEISA-N -1 0 265.696 2.302 40 0 CEABRM Cc1cc(C(=O)[O-])ncc1NC(=O)OC(C)(C)C ZINC000228959752 524194022 /nfs/dbraw/zinc/19/40/22/524194022.db2.gz GOMIDJDVIPLRQV-UHFFFAOYSA-N -1 0 252.270 2.435 40 0 CEABRM O=C([O-])C[C@@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000057548281 527624717 /nfs/dbraw/zinc/62/47/17/527624717.db2.gz NBPMNZWIQODKCH-CYBMUJFWSA-N -1 0 261.321 2.257 40 0 CEABRM O=C([O-])/C=C/c1cnn(CCOCc2ccccc2)c1 ZINC000585143054 623860539 /nfs/dbraw/zinc/86/05/39/623860539.db2.gz PZOYRODLFIMRFS-VOTSOKGWSA-N -1 0 272.304 2.198 40 0 CEABRM