smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([O-])c(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000135629477 394966683 /nfs/dbraw/zinc/96/66/83/394966683.db2.gz BCFWIUSHQUMYBA-UKRRQHHQSA-N 0 3 265.353 2.184 10 10 CECEHN Cc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000183405488 395255927 /nfs/dbraw/zinc/25/59/27/395255927.db2.gz SEBIRLDNXJROQJ-CQSZACIVSA-N 0 3 286.379 2.204 10 10 CECEHN Cc1cccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000183405488 395255934 /nfs/dbraw/zinc/25/59/34/395255934.db2.gz SEBIRLDNXJROQJ-CQSZACIVSA-N 0 3 286.379 2.204 10 10 CECEHN CC[C@@H]([NH2+]CCCC(=O)OC)c1ccccc1[O-] ZINC000037416256 173193328 /nfs/dbraw/zinc/19/33/28/173193328.db2.gz AGKOIWOZJZDJOE-GFCCVEGCSA-N 0 3 251.326 2.386 10 10 CECEHN C=C(C=C1CCCN1C)C1SC(=S)N(C)C1=O ZINC000038644974 174150702 /nfs/dbraw/zinc/15/07/02/174150702.db2.gz IYSUEATZWRPJFI-FIFLTTCUSA-N 0 3 268.407 2.360 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1[O-] ZINC000228677353 631214023 /nfs/dbraw/zinc/21/40/23/631214023.db2.gz RSZLDJMNNRGJAB-NWDGAFQWSA-N 0 3 285.771 2.447 10 10 CECEHN C[C@H]([NH2+]CC1CCOCC1)c1ccc(O)cc1[O-] ZINC000104203366 185930515 /nfs/dbraw/zinc/93/05/15/185930515.db2.gz PHRDXWTUQDERLZ-JTQLQIEISA-N 0 3 251.326 2.175 10 10 CECEHN Cn1cc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000180074534 368367265 /nfs/dbraw/zinc/36/72/65/368367265.db2.gz ZZSFYUKCMPLGCP-CQSZACIVSA-N 0 3 257.337 2.463 10 10 CECEHN Cn1cc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000180074534 368367268 /nfs/dbraw/zinc/36/72/68/368367268.db2.gz ZZSFYUKCMPLGCP-CQSZACIVSA-N 0 3 257.337 2.463 10 10 CECEHN Cn1cc([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000180175664 368369309 /nfs/dbraw/zinc/36/93/09/368369309.db2.gz KOZXXJKGCKGVKJ-NSHDSACASA-N 0 3 275.327 2.254 10 10 CECEHN Cn1cc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000180175664 368369311 /nfs/dbraw/zinc/36/93/11/368369311.db2.gz KOZXXJKGCKGVKJ-NSHDSACASA-N 0 3 275.327 2.254 10 10 CECEHN Cc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000180330861 368376182 /nfs/dbraw/zinc/37/61/82/368376182.db2.gz SAXZFNLPJCTAGA-ZDUSSCGKSA-N 0 3 271.364 2.424 10 10 CECEHN Cc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000180330861 368376186 /nfs/dbraw/zinc/37/61/86/368376186.db2.gz SAXZFNLPJCTAGA-ZDUSSCGKSA-N 0 3 271.364 2.424 10 10 CECEHN Nc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1[O-] ZINC000307729250 400339665 /nfs/dbraw/zinc/33/96/65/400339665.db2.gz GYIVLQORNMTWMZ-QMMMGPOBSA-N 0 3 257.131 2.161 10 10 CECEHN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000038095491 174109287 /nfs/dbraw/zinc/10/92/87/174109287.db2.gz SGQFLOHHGKHFSS-ZYHUDNBSSA-N 0 3 251.326 2.318 10 10 CECEHN CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000155278444 261100156 /nfs/dbraw/zinc/10/01/56/261100156.db2.gz MCLVAWNMEHMXQP-GDBMZVCRSA-N 0 3 292.423 2.280 10 10 CECEHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183597196 329250817 /nfs/dbraw/zinc/25/08/17/329250817.db2.gz BTLGJPPYCORNSG-VXGBXAGGSA-N 0 3 286.379 2.212 10 10 CECEHN COc1cc(Cl)cc(C[NH2+]CCn2cc(C)cn2)c1[O-] ZINC000230934369 333322667 /nfs/dbraw/zinc/32/26/67/333322667.db2.gz YWFRPYHAKKDQEA-UHFFFAOYSA-N 0 3 295.770 2.349 10 10 CECEHN COCCN(C)CC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000061375470 523605251 /nfs/dbraw/zinc/60/52/51/523605251.db2.gz PSKSGMVGQNBLNH-UHFFFAOYSA-N 0 3 288.391 2.213 10 10 CECEHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1[O-] ZINC000083385046 178393002 /nfs/dbraw/zinc/39/30/02/178393002.db2.gz PXWMWMLWIKNTQD-MWLCHTKSSA-N 0 3 251.326 2.472 10 10 CECEHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@H]2O)c1[O-] ZINC000228675743 394476181 /nfs/dbraw/zinc/47/61/81/394476181.db2.gz AGAGCXADXKPLSI-BXKDBHETSA-N 0 3 285.771 2.305 10 10 CECEHN CCN1CCC(N(C)C(=O)CCc2ccc(N)cc2)CC1 ZINC000038051718 174063298 /nfs/dbraw/zinc/06/32/98/174063298.db2.gz ZYKQMTWBPATKOS-UHFFFAOYSA-N 0 3 289.423 2.144 10 10 CECEHN CCN1CCC([NH2+][C@H](C)c2ccc(O)cc2[O-])CC1 ZINC000038097917 174112485 /nfs/dbraw/zinc/11/24/85/174112485.db2.gz IPIJHMVBMROIDS-LLVKDONJSA-N 0 3 264.369 2.233 10 10 CECEHN COc1ccc([O-])c(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037166519 260072074 /nfs/dbraw/zinc/07/20/74/260072074.db2.gz WGIKYNYUSFNNHY-CQSZACIVSA-N 0 3 280.412 2.467 10 10 CECEHN CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565805 395195701 /nfs/dbraw/zinc/19/57/01/395195701.db2.gz OFONAKKJSHJINI-CQSZACIVSA-N 0 3 276.380 2.273 10 10 CECEHN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565805 395195705 /nfs/dbraw/zinc/19/57/05/395195705.db2.gz OFONAKKJSHJINI-CQSZACIVSA-N 0 3 276.380 2.273 10 10 CECEHN Cc1cc(CN[C@H](C)C(N)=O)c(C)n1-c1ccccc1 ZINC000035148876 172010484 /nfs/dbraw/zinc/01/04/84/172010484.db2.gz IWEWURDFOXREJS-GFCCVEGCSA-N 0 3 271.364 2.058 10 10 CECEHN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(O)ccc1[O-] ZINC000038043933 174051556 /nfs/dbraw/zinc/05/15/56/174051556.db2.gz RAOPGNCPOCJAMT-MNOVXSKESA-N 0 3 251.326 2.175 10 10 CECEHN CN(Cc1ccccc1)C[C@@H](O)c1ccc(O)c(O)c1 ZINC000077272639 177247936 /nfs/dbraw/zinc/24/79/36/177247936.db2.gz YENHZTNWVCNPRW-MRXNPFEDSA-N 0 3 273.332 2.263 10 10 in-vitro CECEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)(C)C ZINC000121151712 394793095 /nfs/dbraw/zinc/79/30/95/394793095.db2.gz NRXCOLJRYJUOJR-ZDUSSCGKSA-N 0 3 267.369 2.000 10 10 CECEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)(C)C ZINC000121151712 394793098 /nfs/dbraw/zinc/79/30/98/394793098.db2.gz NRXCOLJRYJUOJR-ZDUSSCGKSA-N 0 3 267.369 2.000 10 10 CECEHN Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)cn1 ZINC000179577554 395197195 /nfs/dbraw/zinc/19/71/95/395197195.db2.gz NCGFSIGKJWUEPE-GFCCVEGCSA-N 0 3 257.337 2.115 10 10 CECEHN Cn1cc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cn1 ZINC000179577554 395197198 /nfs/dbraw/zinc/19/71/98/395197198.db2.gz NCGFSIGKJWUEPE-GFCCVEGCSA-N 0 3 257.337 2.115 10 10 CECEHN C[C@H]([NH2+]CCCN1CCCC1)c1ccc(O)cc1[O-] ZINC000020129033 171016666 /nfs/dbraw/zinc/01/66/66/171016666.db2.gz QDPTVAKMUXWJOC-LBPRGKRZSA-N 0 3 264.369 2.234 10 10 CECEHN C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1[O-])[C@@H]1CCCO1 ZINC000020207039 171071124 /nfs/dbraw/zinc/07/11/24/171071124.db2.gz PTFBXFHQKVXRSK-RBZYPMLTSA-N 0 3 251.326 2.316 10 10 CECEHN COc1cc(Cl)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1[O-] ZINC000230976112 333323204 /nfs/dbraw/zinc/32/32/04/333323204.db2.gz RCIJVOHANSQNEX-GWCFXTLKSA-N 0 3 298.814 2.436 10 10 CECEHN CN(CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022178559 171371880 /nfs/dbraw/zinc/37/18/80/171371880.db2.gz JHAYWJPJPNQZAD-UHFFFAOYSA-N 0 3 261.369 2.472 10 10 CECEHN C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(O)ccc1[O-] ZINC000038043934 174051787 /nfs/dbraw/zinc/05/17/87/174051787.db2.gz RAOPGNCPOCJAMT-WDEREUQCSA-N 0 3 251.326 2.175 10 10 CECEHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCNCC1 ZINC000038086973 174098944 /nfs/dbraw/zinc/09/89/44/174098944.db2.gz PKOKNEKGGITIMQ-UHFFFAOYSA-N 0 3 256.349 2.341 10 10 CECEHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCNCC1 ZINC000038086973 174098946 /nfs/dbraw/zinc/09/89/46/174098946.db2.gz PKOKNEKGGITIMQ-UHFFFAOYSA-N 0 3 256.349 2.341 10 10 CECEHN CC[C@](C)(O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000161504458 261249250 /nfs/dbraw/zinc/24/92/50/261249250.db2.gz PSYROAOKSCZMEX-INIZCTEOSA-N 0 3 296.386 2.117 10 10 CECEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCOCC2 ZINC000186307527 262087704 /nfs/dbraw/zinc/08/77/04/262087704.db2.gz PHRWKNUVALYRIP-HZPDHXFCSA-N 0 3 291.391 2.456 10 10 CECEHN CC(C)NC(=O)C[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000036781604 519708503 /nfs/dbraw/zinc/70/85/03/519708503.db2.gz BHEZIFRSIIJSBZ-UHFFFAOYSA-N 0 3 272.348 2.160 10 10 CECEHN COC(=O)Cc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000117148867 344288798 /nfs/dbraw/zinc/28/87/98/344288798.db2.gz YCZSKMFYAYZYTQ-UHFFFAOYSA-N 0 3 285.343 2.398 10 10 CECEHN COc1ccc(Br)c([C@H]([NH3+])CF)c1[O-] ZINC000238432745 344606703 /nfs/dbraw/zinc/60/67/03/344606703.db2.gz YRWZGKDITSWIAI-ZCFIWIBFSA-N 0 3 264.094 2.133 10 10 CECEHN CN(C)c1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000245550819 370838106 /nfs/dbraw/zinc/83/81/06/370838106.db2.gz AMDJYFHGBNSMJP-KRWDZBQOSA-N 0 3 273.424 2.423 10 10 CECEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C ZINC000022153717 171360544 /nfs/dbraw/zinc/36/05/44/171360544.db2.gz RTHLAOKDNXFCTN-NEPJUHHUSA-N 0 3 261.369 2.470 10 10 CECEHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085962938 524752341 /nfs/dbraw/zinc/75/23/41/524752341.db2.gz HDMYAPKIMRKFPA-BXUZGUMPSA-N 0 3 265.353 2.042 10 10 CECEHN Fc1cc(CNC2CC2)cc(F)c1N1CCOCC1 ZINC000062708984 526297025 /nfs/dbraw/zinc/29/70/25/526297025.db2.gz PNWIRIJREDHQQI-UHFFFAOYSA-N 0 3 268.307 2.053 10 10 CECEHN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000158721413 395052803 /nfs/dbraw/zinc/05/28/03/395052803.db2.gz OEIGUFNUIBGMIU-LLVKDONJSA-N 0 3 264.344 2.105 10 10 CECEHN COc1ccc(C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC000019908978 170920702 /nfs/dbraw/zinc/92/07/02/170920702.db2.gz QGMHWXXCRPZIHV-UHFFFAOYSA-N 0 3 259.305 2.396 10 10 CECEHN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(O)ccc1[O-] ZINC000020125825 171008993 /nfs/dbraw/zinc/00/89/93/171008993.db2.gz MBLUONBVSSKGPP-JTQLQIEISA-N 0 3 252.358 2.089 10 10 CECEHN COc1ccc([O-])c(C[NH2+]C[C@H](C(C)C)N(C)C)c1 ZINC000020145986 171031697 /nfs/dbraw/zinc/03/16/97/171031697.db2.gz LLECPMUQDAPIKM-CQSZACIVSA-N 0 3 266.385 2.077 10 10 CECEHN CCCC(=O)Nc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C)c1 ZINC000022144709 171356456 /nfs/dbraw/zinc/35/64/56/171356456.db2.gz UMDCWYJDRDFEQL-GFCCVEGCSA-N 0 3 293.411 2.343 10 10 CECEHN CC[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000155278259 261099869 /nfs/dbraw/zinc/09/98/69/261099869.db2.gz MCLVAWNMEHMXQP-GOEBONIOSA-N 0 3 292.423 2.280 10 10 CECEHN Cc1cnn(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296264287 274830361 /nfs/dbraw/zinc/83/03/61/274830361.db2.gz BPQSRLJQRAMRDF-ZDUSSCGKSA-N 0 3 257.337 2.174 10 10 CECEHN CCCNC(=O)C[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000036780947 519880392 /nfs/dbraw/zinc/88/03/92/519880392.db2.gz NXLODMPZGPRKML-UHFFFAOYSA-N 0 3 272.348 2.161 10 10 CECEHN CNCc1cc(F)c(N2CCC(OC)CC2)c(F)c1 ZINC000062710489 522112337 /nfs/dbraw/zinc/11/23/37/522112337.db2.gz NROWFFGCAFEQRJ-UHFFFAOYSA-N 0 3 270.323 2.299 10 10 CECEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128504924 525341799 /nfs/dbraw/zinc/34/17/99/525341799.db2.gz PABJSIYVFNWGDR-CQSZACIVSA-N 0 3 286.379 2.204 10 10 CECEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128504924 525341807 /nfs/dbraw/zinc/34/18/07/525341807.db2.gz PABJSIYVFNWGDR-CQSZACIVSA-N 0 3 286.379 2.204 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](O)C2)c1[O-] ZINC000228677376 631214038 /nfs/dbraw/zinc/21/40/38/631214038.db2.gz RSZLDJMNNRGJAB-RYUDHWBXSA-N 0 3 285.771 2.447 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1[O-] ZINC000228677365 631214059 /nfs/dbraw/zinc/21/40/59/631214059.db2.gz RSZLDJMNNRGJAB-NEPJUHHUSA-N 0 3 285.771 2.447 10 10 CECEHN Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000180175647 368369360 /nfs/dbraw/zinc/36/93/60/368369360.db2.gz KOZXXJKGCKGVKJ-LLVKDONJSA-N 0 3 275.327 2.254 10 10 CECEHN Cn1cc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000180175647 368369369 /nfs/dbraw/zinc/36/93/69/368369369.db2.gz KOZXXJKGCKGVKJ-LLVKDONJSA-N 0 3 275.327 2.254 10 10 CECEHN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178252 171371545 /nfs/dbraw/zinc/37/15/45/171371545.db2.gz HOJDOBJURZCKKH-TXEJJXNPSA-N 0 3 261.369 2.185 10 10 CECEHN C=C(C=C1CCCN1C)C1SC(=S)N(C)C1=O ZINC000038644976 174150883 /nfs/dbraw/zinc/15/08/83/174150883.db2.gz IYSUEATZWRPJFI-ZWOQCJTASA-N 0 3 268.407 2.360 10 10 CECEHN CN(Cc1ccccc1)C[C@H](O)c1ccc(O)c(O)c1 ZINC000077272636 177247931 /nfs/dbraw/zinc/24/79/31/177247931.db2.gz YENHZTNWVCNPRW-INIZCTEOSA-N 0 3 273.332 2.263 10 10 in-vitro CECEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c([O-])c1 ZINC000185115403 262041872 /nfs/dbraw/zinc/04/18/72/262041872.db2.gz XKTIDHWIFPVGBX-GJZGRUSLSA-N 0 3 292.423 2.198 10 10 CECEHN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000049553156 524167114 /nfs/dbraw/zinc/16/71/14/524167114.db2.gz PLFLWTCQCYXURI-GHMZBOCLSA-N 0 3 252.358 2.089 10 10 CECEHN [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000044539707 639321572 /nfs/dbraw/zinc/32/15/72/639321572.db2.gz PFNWSJYMXZGNHA-GFCCVEGCSA-N 0 3 254.761 2.359 10 10 CECEHN NCC[C@@H]([NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000306585273 344715351 /nfs/dbraw/zinc/71/53/51/344715351.db2.gz QSLHCUCWOSDZHT-MRVPVSSYSA-N 0 3 279.565 2.157 10 10 CECEHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1[O-] ZINC000134247179 366302763 /nfs/dbraw/zinc/30/27/63/366302763.db2.gz SGVGHCPTUNJHRA-CMPLNLGQSA-N 0 3 251.326 2.058 10 10 CECEHN CN(Cc1cccc(F)c1[O-])CC1([NH+](C)C)CCC1 ZINC000097934080 394700199 /nfs/dbraw/zinc/70/01/99/394700199.db2.gz WIXQTILPWJYCPB-UHFFFAOYSA-N 0 3 266.360 2.447 10 10 CECEHN CC(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000016077526 170686701 /nfs/dbraw/zinc/68/67/01/170686701.db2.gz HRUJUDJNOIZOLL-UHFFFAOYSA-N 0 3 284.359 2.210 10 10 CECEHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCOCC2 ZINC000186307543 262087863 /nfs/dbraw/zinc/08/78/63/262087863.db2.gz PHRWKNUVALYRIP-CVEARBPZSA-N 0 3 291.391 2.456 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H]2C)c1[O-] ZINC000228676781 329344442 /nfs/dbraw/zinc/34/44/42/329344442.db2.gz HBXNWXZBXCGPQT-KWQFWETISA-N 0 3 271.744 2.321 10 10 CECEHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000236545138 526351376 /nfs/dbraw/zinc/35/13/76/526351376.db2.gz GPPHRHXYOFGGEQ-TZMCWYRMSA-N 0 3 253.317 2.315 10 10 CECEHN Cc1cccc(CNCc2cc3c(cc2O)OCO3)n1 ZINC000051575648 624451572 /nfs/dbraw/zinc/45/15/72/624451572.db2.gz WRKUKAZHDAXTMD-UHFFFAOYSA-N 0 3 272.304 2.114 10 10 CECEHN CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000584655422 344974173 /nfs/dbraw/zinc/97/41/73/344974173.db2.gz VNTVXQGTQXLNJL-UHFFFAOYSA-N 0 3 260.381 2.018 10 10 CECEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000119500194 394768744 /nfs/dbraw/zinc/76/87/44/394768744.db2.gz GGDMKAWDURCATL-HNNXBMFYSA-N 0 3 286.379 2.438 10 10 CECEHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000119500194 394768751 /nfs/dbraw/zinc/76/87/51/394768751.db2.gz GGDMKAWDURCATL-HNNXBMFYSA-N 0 3 286.379 2.438 10 10 CECEHN Cc1ccc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)nn1 ZINC000179575280 395196937 /nfs/dbraw/zinc/19/69/37/395196937.db2.gz CPXVOAMEXDZQMH-UHFFFAOYSA-N 0 3 298.390 2.203 10 10 CECEHN Cc1ccc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)nn1 ZINC000179575280 395196940 /nfs/dbraw/zinc/19/69/40/395196940.db2.gz CPXVOAMEXDZQMH-UHFFFAOYSA-N 0 3 298.390 2.203 10 10 CECEHN CCOc1cccc(C[NH2+]CCn2cc(C)cn2)c1[O-] ZINC000105908552 261363482 /nfs/dbraw/zinc/36/34/82/261363482.db2.gz ZYFJLOOLPSRQPK-UHFFFAOYSA-N 0 3 275.352 2.086 10 10 CECEHN C[NH+](C)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134164588 652784954 /nfs/dbraw/zinc/78/49/54/652784954.db2.gz LISJANXLPDWMFF-GFCCVEGCSA-N 0 3 254.761 2.182 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282196794 375426405 /nfs/dbraw/zinc/42/64/05/375426405.db2.gz GPWAAHUYEQOKRO-GVXVVHGQSA-N 0 3 262.353 2.018 10 10 CECEHN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(O)cc1[O-] ZINC000020125795 171008747 /nfs/dbraw/zinc/00/87/47/171008747.db2.gz XZKKWKNDHKBRJN-JTQLQIEISA-N 0 3 252.358 2.089 10 10 CECEHN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000078640352 260168347 /nfs/dbraw/zinc/16/83/47/260168347.db2.gz RFLKNWROLYYTSR-NSHDSACASA-N 0 3 293.388 2.068 10 10 CECEHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1[O-] ZINC000282277046 288065376 /nfs/dbraw/zinc/06/53/76/288065376.db2.gz KURXHHAYYKWFCS-WCFLWFBJSA-N 0 3 262.353 2.100 10 10 CECEHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000246569755 329867635 /nfs/dbraw/zinc/86/76/35/329867635.db2.gz XVHIQHFWUXJXEU-PBHICJAKSA-N 0 3 291.439 2.124 10 10 CECEHN COCCNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062734303 523952185 /nfs/dbraw/zinc/95/21/85/523952185.db2.gz IEAWJORUANMUQH-KBPBESRZSA-N 0 3 278.396 2.036 10 10 CECEHN CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000168865954 639587032 /nfs/dbraw/zinc/58/70/32/639587032.db2.gz MIFVOGPGKNJFIS-UONOGXRCSA-N 0 3 278.396 2.072 10 10 CECEHN C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000227373360 639588373 /nfs/dbraw/zinc/58/83/73/639588373.db2.gz AVBDKZFCCMYSHI-MVWJERBFSA-N 0 3 253.317 2.485 10 10 CECEHN NCC[C@@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000306897355 344718359 /nfs/dbraw/zinc/71/83/59/344718359.db2.gz SUNKOUNXLWNEQT-MRVPVSSYSA-N 0 3 279.565 2.157 10 10 CECEHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000180331124 368377040 /nfs/dbraw/zinc/37/70/40/368377040.db2.gz AWTIZAHLYZJMRK-LBPRGKRZSA-N 0 3 287.363 2.124 10 10 CECEHN COc1ccc([O-])c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000180331124 368377045 /nfs/dbraw/zinc/37/70/45/368377045.db2.gz AWTIZAHLYZJMRK-LBPRGKRZSA-N 0 3 287.363 2.124 10 10 CECEHN CCN(C)c1ccc([C@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000246569770 370978686 /nfs/dbraw/zinc/97/86/86/370978686.db2.gz XVHIQHFWUXJXEU-YOEHRIQHSA-N 0 3 291.439 2.124 10 10 CECEHN FC(F)(F)COc1ccc(N2CCNCC2)cc1 ZINC000035650833 134515795 /nfs/dbraw/zinc/51/57/95/134515795.db2.gz HPSPMCQNULMOEN-UHFFFAOYSA-N 0 3 260.259 2.037 10 10 CECEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000228675714 394476550 /nfs/dbraw/zinc/47/65/50/394476550.db2.gz AGAGCXADXKPLSI-CABZTGNLSA-N 0 3 285.771 2.305 10 10 CECEHN NCC[C@H]([NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000306660676 394517199 /nfs/dbraw/zinc/51/71/99/394517199.db2.gz QSLHCUCWOSDZHT-QMMMGPOBSA-N 0 3 279.565 2.157 10 10 CECEHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1[NH+](C)C ZINC000131470112 394910938 /nfs/dbraw/zinc/91/09/38/394910938.db2.gz MXCLDDVNWYAWDK-MFKMUULPSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1N(C)C ZINC000131470112 394910941 /nfs/dbraw/zinc/91/09/41/394910941.db2.gz MXCLDDVNWYAWDK-MFKMUULPSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1N(C)C ZINC000131470112 394910947 /nfs/dbraw/zinc/91/09/47/394910947.db2.gz MXCLDDVNWYAWDK-MFKMUULPSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178248 171371592 /nfs/dbraw/zinc/37/15/92/171371592.db2.gz HOJDOBJURZCKKH-VXGBXAGGSA-N 0 3 261.369 2.185 10 10 CECEHN C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(O)ccc1[O-] ZINC000038095562 174109169 /nfs/dbraw/zinc/10/91/69/174109169.db2.gz KFHFDBSTGCQIFR-JQWIXIFHSA-N 0 3 251.326 2.318 10 10 CECEHN CCCN([C@@H](C)c1ccc(O)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314534 176121134 /nfs/dbraw/zinc/12/11/34/176121134.db2.gz VHHPOCWGQFQNRX-NWDGAFQWSA-N 0 3 264.369 2.233 10 10 CECEHN CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCOCC2 ZINC000186307511 262087524 /nfs/dbraw/zinc/08/75/24/262087524.db2.gz PHRWKNUVALYRIP-HOTGVXAUSA-N 0 3 291.391 2.456 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2C)c1[O-] ZINC000228676746 329344308 /nfs/dbraw/zinc/34/43/08/329344308.db2.gz HBXNWXZBXCGPQT-LDYMZIIASA-N 0 3 271.744 2.321 10 10 CECEHN CCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000152375067 640216686 /nfs/dbraw/zinc/21/66/86/640216686.db2.gz VWAVMWOKDYKNMH-SMDDNHRTSA-N 0 3 294.395 2.308 10 10 CECEHN C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1[NH+](C)C ZINC000131470272 394911043 /nfs/dbraw/zinc/91/10/43/394911043.db2.gz MXCLDDVNWYAWDK-GWCFXTLKSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1N(C)C ZINC000131470272 394911046 /nfs/dbraw/zinc/91/10/46/394911046.db2.gz MXCLDDVNWYAWDK-GWCFXTLKSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1N(C)C ZINC000131470272 394911051 /nfs/dbraw/zinc/91/10/51/394911051.db2.gz MXCLDDVNWYAWDK-GWCFXTLKSA-N 0 3 268.788 2.428 10 10 CECEHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000179571382 395196989 /nfs/dbraw/zinc/19/69/89/395196989.db2.gz HVDIIGPVKQZPHP-HNNXBMFYSA-N 0 3 298.390 2.283 10 10 CECEHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000179571382 395196992 /nfs/dbraw/zinc/19/69/92/395196992.db2.gz HVDIIGPVKQZPHP-HNNXBMFYSA-N 0 3 298.390 2.283 10 10 CECEHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(O)cc1[O-])N(C)C ZINC000020145665 171030661 /nfs/dbraw/zinc/03/06/61/171030661.db2.gz NGFNHDBLRXJKSS-BXUZGUMPSA-N 0 3 266.385 2.335 10 10 CECEHN C=COCCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000020197278 171060974 /nfs/dbraw/zinc/06/09/74/171060974.db2.gz KWXPBCVDJCTVBF-UHFFFAOYSA-N 0 3 251.326 2.431 10 10 CECEHN CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000185207092 262046344 /nfs/dbraw/zinc/04/63/44/262046344.db2.gz QSFCALHRPNONLU-HIFRSBDPSA-N 0 3 278.396 2.154 10 10 CECEHN COc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000248892677 334321247 /nfs/dbraw/zinc/32/12/47/334321247.db2.gz SWOLUVWQJLFFML-ZDUSSCGKSA-N 0 3 296.798 2.334 10 10 CECEHN COc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000248892677 334321248 /nfs/dbraw/zinc/32/12/48/334321248.db2.gz SWOLUVWQJLFFML-ZDUSSCGKSA-N 0 3 296.798 2.334 10 10 CECEHN CCOCCN1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100309 628072413 /nfs/dbraw/zinc/07/24/13/628072413.db2.gz WZWBAWDPNZPOBP-ZDUSSCGKSA-N 0 3 296.386 2.074 10 10 CECEHN C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1[NH+](C)C ZINC000131460646 652427438 /nfs/dbraw/zinc/42/74/38/652427438.db2.gz DMOCMNGNEHJTCX-GWCFXTLKSA-N 0 3 268.788 2.428 10 10 CECEHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1[O-] ZINC000134247143 366303365 /nfs/dbraw/zinc/30/33/65/366303365.db2.gz SGVGHCPTUNJHRA-ZYHUDNBSSA-N 0 3 251.326 2.058 10 10 CECEHN CN(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000160235042 366985534 /nfs/dbraw/zinc/98/55/34/366985534.db2.gz HNLMEGUNWJXDKV-NSHDSACASA-N 0 3 254.761 2.182 10 10 CECEHN CN(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000160235042 366985538 /nfs/dbraw/zinc/98/55/38/366985538.db2.gz HNLMEGUNWJXDKV-NSHDSACASA-N 0 3 254.761 2.182 10 10 CECEHN CC(C)N1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000158680365 395051592 /nfs/dbraw/zinc/05/15/92/395051592.db2.gz HQDJVCWRTLHZBW-UHFFFAOYSA-N 0 3 266.360 2.494 10 10 CECEHN NC(=O)[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000007982895 170311733 /nfs/dbraw/zinc/31/17/33/170311733.db2.gz SQPUHTQLXZGKCV-OAHLLOKOSA-N 0 3 284.359 2.385 10 10 CECEHN NC(=O)[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000007982895 170311734 /nfs/dbraw/zinc/31/17/34/170311734.db2.gz SQPUHTQLXZGKCV-OAHLLOKOSA-N 0 3 284.359 2.385 10 10 CECEHN CCCC(=O)Nc1ccc([O-])c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000022144711 171356237 /nfs/dbraw/zinc/35/62/37/171356237.db2.gz UMDCWYJDRDFEQL-LBPRGKRZSA-N 0 3 293.411 2.343 10 10 CECEHN CCN(CC)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000035224775 172069167 /nfs/dbraw/zinc/06/91/67/172069167.db2.gz DHEDFOMPQDELBS-ZDUSSCGKSA-N 0 3 277.412 2.099 10 10 CECEHN CCN(CC)C(=O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000071408035 176156658 /nfs/dbraw/zinc/15/66/58/176156658.db2.gz OEGLYTAQYHHAOP-UHFFFAOYSA-N 0 3 264.369 2.049 10 10 CECEHN CCC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000161836146 261261719 /nfs/dbraw/zinc/26/17/19/261261719.db2.gz DCAZQCGEBYUUCE-OAHLLOKOSA-N 0 3 295.402 2.238 10 10 CECEHN [O-]c1ccc2ccccc2c1C[NH2+]C[C@@H](O)C1CC1 ZINC000071299631 526357217 /nfs/dbraw/zinc/35/72/17/526357217.db2.gz XQGJGMXZQGYMMY-MRXNPFEDSA-N 0 3 257.333 2.406 10 10 CECEHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1[O-] ZINC000124555181 365655102 /nfs/dbraw/zinc/65/51/02/365655102.db2.gz FNBFNELIEOAQIE-BMIGLBTASA-N 0 3 294.370 2.116 10 10 CECEHN C[C@@H](NCCO)c1ccc(N2CCCC2)c(F)c1 ZINC000020550907 256810226 /nfs/dbraw/zinc/81/02/26/256810226.db2.gz SFEUDGHWDNXNIL-LLVKDONJSA-N 0 3 252.333 2.069 10 10 CECEHN CCN1CCC([NH2+][C@@H](C)c2ccc(O)cc2[O-])CC1 ZINC000038097916 174112360 /nfs/dbraw/zinc/11/23/60/174112360.db2.gz IPIJHMVBMROIDS-NSHDSACASA-N 0 3 264.369 2.233 10 10 CECEHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(F)ccc1[O-] ZINC000185115751 262041888 /nfs/dbraw/zinc/04/18/88/262041888.db2.gz HVTUUKNLPGXASP-TZMCWYRMSA-N 0 3 296.386 2.029 10 10 CECEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000249725239 334339360 /nfs/dbraw/zinc/33/93/60/334339360.db2.gz LDEBEVOUTOHZAM-VZJVUDMVSA-N 0 3 265.353 2.355 10 10 CECEHN Cc1cnn(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185843895 642040338 /nfs/dbraw/zinc/04/03/38/642040338.db2.gz BRFVSEQHOAUOBD-LLVKDONJSA-N 0 3 263.316 2.387 10 10 CECEHN CCCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000195187986 395461405 /nfs/dbraw/zinc/46/14/05/395461405.db2.gz TXIJHKBVNCORHN-AWEZNQCLSA-N 0 3 267.369 2.002 10 10 CECEHN CCCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000195187986 395461407 /nfs/dbraw/zinc/46/14/07/395461407.db2.gz TXIJHKBVNCORHN-AWEZNQCLSA-N 0 3 267.369 2.002 10 10 CECEHN COC(=O)CC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000037308579 173111421 /nfs/dbraw/zinc/11/14/21/173111421.db2.gz MREVFWJNGCCEJE-UHFFFAOYSA-N 0 3 259.305 2.198 10 10 CECEHN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000038044102 174051538 /nfs/dbraw/zinc/05/15/38/174051538.db2.gz RZSCIBSXHDNFSM-QWRGUYRKSA-N 0 3 251.326 2.175 10 10 CECEHN COc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1[O-] ZINC000038095466 174109283 /nfs/dbraw/zinc/10/92/83/174109283.db2.gz KFDJXZOYQQLDLV-LBPRGKRZSA-N 0 3 251.326 2.060 10 10 CECEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934250 262034128 /nfs/dbraw/zinc/03/41/28/262034128.db2.gz LPSWGAAPOCUUQP-ZIAGYGMSSA-N 0 3 278.396 2.072 10 10 CECEHN CO[C@H]1C=CC2=CCN3CCc4cc(O)c(O)cc4[C@@]23C1 ZINC000015203706 571735281 /nfs/dbraw/zinc/73/52/81/571735281.db2.gz GNBQGLMYBIWCOO-SUMWQHHRSA-N 0 3 285.343 2.066 10 10 endogenous,in-man CECEHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1[O-] ZINC000124555368 365655590 /nfs/dbraw/zinc/65/55/90/365655590.db2.gz FNBFNELIEOAQIE-BONVTDFDSA-N 0 3 294.370 2.116 10 10 CECEHN C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])[C@@H]1CCCO1 ZINC000020206778 171071063 /nfs/dbraw/zinc/07/10/63/171071063.db2.gz JJIHQFBGCMKOGY-RBZYPMLTSA-N 0 3 251.326 2.316 10 10 CECEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183257790 329248869 /nfs/dbraw/zinc/24/88/69/329248869.db2.gz ZZOINAVDBIXEPC-GFCCVEGCSA-N 0 3 290.342 2.035 10 10 CECEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183257790 329248870 /nfs/dbraw/zinc/24/88/70/329248870.db2.gz ZZOINAVDBIXEPC-GFCCVEGCSA-N 0 3 290.342 2.035 10 10 CECEHN [NH3+]C[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000220298736 628824733 /nfs/dbraw/zinc/82/47/33/628824733.db2.gz SXZQDYPOSSHDNH-NSHDSACASA-N 0 3 285.185 2.078 10 10 CECEHN COc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000128489989 365791426 /nfs/dbraw/zinc/79/14/26/365791426.db2.gz ODTUHQRILVQBRG-LBPRGKRZSA-N 0 3 287.363 2.124 10 10 CECEHN COc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000128489989 365791430 /nfs/dbraw/zinc/79/14/30/365791430.db2.gz ODTUHQRILVQBRG-LBPRGKRZSA-N 0 3 287.363 2.124 10 10 CECEHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000226610883 370348656 /nfs/dbraw/zinc/34/86/56/370348656.db2.gz INRNHCALACEULP-GWCFXTLKSA-N 0 3 253.317 2.172 10 10 CECEHN COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1[O-] ZINC000230976109 333323171 /nfs/dbraw/zinc/32/31/71/333323171.db2.gz RCIJVOHANSQNEX-MFKMUULPSA-N 0 3 298.814 2.436 10 10 CECEHN [O-]c1c(O)cc2c(c1F)CC[NH2+]C[C@@H]2c1ccc(O)cc1 ZINC000026390151 361638663 /nfs/dbraw/zinc/63/86/63/361638663.db2.gz VCANAEDMYJEQEH-CYBMUJFWSA-N 0 3 289.306 2.220 10 10 CECEHN C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])CN1CCCC1 ZINC000158765101 366860060 /nfs/dbraw/zinc/86/00/60/366860060.db2.gz ZFGVWZMVRDTINE-LBPRGKRZSA-N 0 3 266.360 2.353 10 10 CECEHN Cc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000183405470 395256469 /nfs/dbraw/zinc/25/64/69/395256469.db2.gz SEBIRLDNXJROQJ-AWEZNQCLSA-N 0 3 286.379 2.204 10 10 CECEHN Cc1cccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000183405470 395256474 /nfs/dbraw/zinc/25/64/74/395256474.db2.gz SEBIRLDNXJROQJ-AWEZNQCLSA-N 0 3 286.379 2.204 10 10 CECEHN [O-]c1ccc(-c2csc3[n+]2CCS3)cc1O ZINC000005944064 170160483 /nfs/dbraw/zinc/16/04/83/170160483.db2.gz SDWHWPTUDUKQHI-UHFFFAOYSA-O 0 3 252.340 2.220 10 10 CECEHN Oc1cc2c(cc1O)C[C@@H](Cc1ccccc1)NC2 ZINC000013896117 170607030 /nfs/dbraw/zinc/60/70/30/170607030.db2.gz FBQLLJKFEIWIRB-CQSZACIVSA-N 0 3 255.317 2.355 10 10 CECEHN COc1cc(Cl)cc(CN2CC[C@@H]([NH+](C)C)C2)c1[O-] ZINC000229120787 333300685 /nfs/dbraw/zinc/30/06/85/333300685.db2.gz OPWMJGDVGLZNNS-GFCCVEGCSA-N 0 3 284.787 2.190 10 10 CECEHN [O-]c1ccc2ccccc2c1C[NH2+]C[C@H](O)C1CC1 ZINC000071299629 526355907 /nfs/dbraw/zinc/35/59/07/526355907.db2.gz XQGJGMXZQGYMMY-INIZCTEOSA-N 0 3 257.333 2.406 10 10 CECEHN CCN1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226586130 639554426 /nfs/dbraw/zinc/55/44/26/639554426.db2.gz DFHMLJLFOGBKLJ-ZDUSSCGKSA-N 0 3 252.333 2.105 10 10 CECEHN CCC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000120498437 365432883 /nfs/dbraw/zinc/43/28/83/365432883.db2.gz ODUADIXLPBRXMB-MRXNPFEDSA-N 0 3 291.439 2.441 10 10 CECEHN CNCc1cc(F)c(N(C)C2CCOCC2)c(F)c1 ZINC000062711207 522110020 /nfs/dbraw/zinc/11/00/20/522110020.db2.gz LSQDFGLPRUPEQC-UHFFFAOYSA-N 0 3 270.323 2.299 10 10 CECEHN CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccccc1[O-] ZINC000037166808 361902595 /nfs/dbraw/zinc/90/25/95/361902595.db2.gz XOYOXDGWMXHJJT-CQSZACIVSA-N 0 3 250.386 2.458 10 10 CECEHN COc1cccc(CNCc2ccc(O)cc2)c1O ZINC000083431889 178443147 /nfs/dbraw/zinc/44/31/47/178443147.db2.gz FOGYCACIHVLZMO-UHFFFAOYSA-N 0 3 259.305 2.396 10 10 CECEHN CN1Cc2c(N)cccc2[C@@H](c2ccc(O)c(O)c2)C1 ZINC000027102844 361648660 /nfs/dbraw/zinc/64/86/60/361648660.db2.gz ODIYTWXTFQEXKZ-GFCCVEGCSA-N 0 3 270.332 2.257 10 10 CECEHN C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000245892153 370885282 /nfs/dbraw/zinc/88/52/82/370885282.db2.gz ONYUDSCKYKSCNW-DUFXMDAXSA-N 0 3 253.317 2.485 10 10 CECEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)(C)C ZINC000121151579 394793249 /nfs/dbraw/zinc/79/32/49/394793249.db2.gz NRXCOLJRYJUOJR-CYBMUJFWSA-N 0 3 267.369 2.000 10 10 CECEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)(C)C ZINC000121151579 394793253 /nfs/dbraw/zinc/79/32/53/394793253.db2.gz NRXCOLJRYJUOJR-CYBMUJFWSA-N 0 3 267.369 2.000 10 10 CECEHN [O-]c1c(F)cccc1C[NH2+]CCCN1CCCCC1 ZINC000158676075 395051031 /nfs/dbraw/zinc/05/10/31/395051031.db2.gz MIYQNRSMUCYCGI-UHFFFAOYSA-N 0 3 266.360 2.497 10 10 CECEHN [O-]c1c(F)cccc1CNCCC[NH+]1CCCCC1 ZINC000158676075 395051034 /nfs/dbraw/zinc/05/10/34/395051034.db2.gz MIYQNRSMUCYCGI-UHFFFAOYSA-N 0 3 266.360 2.497 10 10 CECEHN C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178257 171371349 /nfs/dbraw/zinc/37/13/49/171371349.db2.gz HOJDOBJURZCKKH-RYUDHWBXSA-N 0 3 261.369 2.185 10 10 CECEHN COc1cc(Cl)cc(CN2CC[C@H]([NH+](C)C)C2)c1[O-] ZINC000229120775 333300669 /nfs/dbraw/zinc/30/06/69/333300669.db2.gz OPWMJGDVGLZNNS-LBPRGKRZSA-N 0 3 284.787 2.190 10 10 CECEHN CN(CCOCC(F)(F)F)Cc1ccc(N)cc1 ZINC000049311272 522886648 /nfs/dbraw/zinc/88/66/48/522886648.db2.gz RIYZMMOUGQYBHM-UHFFFAOYSA-N 0 3 262.275 2.280 10 10 CECEHN CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1[O-] ZINC000164047034 639343939 /nfs/dbraw/zinc/34/39/39/639343939.db2.gz RNFJORJYOINICP-UKRRQHHQSA-N 0 3 278.396 2.154 10 10 CECEHN C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1[O-] ZINC000083385047 178392727 /nfs/dbraw/zinc/39/27/27/178392727.db2.gz PXWMWMLWIKNTQD-GXSJLCMTSA-N 0 3 251.326 2.472 10 10 CECEHN [NH3+][C@@H](CCO)c1ccc(OCc2ccccc2)cc1[O-] ZINC000044236306 362150022 /nfs/dbraw/zinc/15/00/22/362150022.db2.gz PGLSPIUEGKGXLX-HNNXBMFYSA-N 0 3 273.332 2.353 10 10 CECEHN C=C(C=C1CCCN1C)C1SC(=S)N(C)C1=O ZINC000038644968 174150487 /nfs/dbraw/zinc/15/04/87/174150487.db2.gz IYSUEATZWRPJFI-FKJILZIQSA-N 0 3 268.407 2.360 10 10 CECEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000180331111 368376495 /nfs/dbraw/zinc/37/64/95/368376495.db2.gz AWTIZAHLYZJMRK-GFCCVEGCSA-N 0 3 287.363 2.124 10 10 CECEHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000180331111 368376500 /nfs/dbraw/zinc/37/65/00/368376500.db2.gz AWTIZAHLYZJMRK-GFCCVEGCSA-N 0 3 287.363 2.124 10 10 CECEHN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000038044105 174051664 /nfs/dbraw/zinc/05/16/64/174051664.db2.gz RZSCIBSXHDNFSM-GHMZBOCLSA-N 0 3 251.326 2.175 10 10 CECEHN COc1ccc([O-])c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038095982 174110343 /nfs/dbraw/zinc/11/03/43/174110343.db2.gz PGSZJGLRTIUJEG-LBPRGKRZSA-N 0 3 251.326 2.060 10 10 CECEHN Cc1ccc([O-])c(C[NH2+][C@@H](CN(C)C)C(C)C)c1 ZINC000071408390 176156619 /nfs/dbraw/zinc/15/66/19/176156619.db2.gz QDPRITRDVSVKIK-AWEZNQCLSA-N 0 3 250.386 2.376 10 10 CECEHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCOCC2 ZINC000186307493 262087776 /nfs/dbraw/zinc/08/77/76/262087776.db2.gz PHRWKNUVALYRIP-JKSUJKDBSA-N 0 3 291.391 2.456 10 10 CECEHN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134164807 652784669 /nfs/dbraw/zinc/78/46/69/652784669.db2.gz LISJANXLPDWMFF-LBPRGKRZSA-N 0 3 254.761 2.182 10 10 CECEHN COc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000128489764 365792066 /nfs/dbraw/zinc/79/20/66/365792066.db2.gz ODTUHQRILVQBRG-GFCCVEGCSA-N 0 3 287.363 2.124 10 10 CECEHN COc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000128489764 365792070 /nfs/dbraw/zinc/79/20/70/365792070.db2.gz ODTUHQRILVQBRG-GFCCVEGCSA-N 0 3 287.363 2.124 10 10 CECEHN CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1[O-] ZINC000180128699 368368238 /nfs/dbraw/zinc/36/82/38/368368238.db2.gz KKYUHINVKAUAPY-AWEZNQCLSA-N 0 3 266.360 2.447 10 10 CECEHN CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1[O-] ZINC000180128699 368368243 /nfs/dbraw/zinc/36/82/43/368368243.db2.gz KKYUHINVKAUAPY-AWEZNQCLSA-N 0 3 266.360 2.447 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282196784 375426884 /nfs/dbraw/zinc/42/68/84/375426884.db2.gz GPWAAHUYEQOKRO-DMDPSCGWSA-N 0 3 262.353 2.018 10 10 CECEHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000020206782 171071536 /nfs/dbraw/zinc/07/15/36/171071536.db2.gz JJIHQFBGCMKOGY-BHDSKKPTSA-N 0 3 251.326 2.316 10 10 CECEHN CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000155278154 261100162 /nfs/dbraw/zinc/10/01/62/261100162.db2.gz MCLVAWNMEHMXQP-HOCLYGCPSA-N 0 3 292.423 2.280 10 10 CECEHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1[O-] ZINC000282277037 288087261 /nfs/dbraw/zinc/08/72/61/288087261.db2.gz KURXHHAYYKWFCS-DRZSPHRISA-N 0 3 262.353 2.100 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1[O-] ZINC000228677345 631213993 /nfs/dbraw/zinc/21/39/93/631213993.db2.gz RSZLDJMNNRGJAB-VXGBXAGGSA-N 0 3 285.771 2.447 10 10 CECEHN CCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000152375248 640216672 /nfs/dbraw/zinc/21/66/72/640216672.db2.gz VWAVMWOKDYKNMH-BXUZGUMPSA-N 0 3 294.395 2.308 10 10 CECEHN CN(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000160234907 366986343 /nfs/dbraw/zinc/98/63/43/366986343.db2.gz HNLMEGUNWJXDKV-LLVKDONJSA-N 0 3 254.761 2.182 10 10 CECEHN CN(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000160234907 366986349 /nfs/dbraw/zinc/98/63/49/366986349.db2.gz HNLMEGUNWJXDKV-LLVKDONJSA-N 0 3 254.761 2.182 10 10 CECEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282494903 375498433 /nfs/dbraw/zinc/49/84/33/375498433.db2.gz XRTZJZYAKXXTHB-LOWVWBTDSA-N 0 3 262.353 2.018 10 10 CECEHN Nc1cccc2c1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC000038032665 174028377 /nfs/dbraw/zinc/02/83/77/174028377.db2.gz JGKMEDPYVOCMHO-UHFFFAOYSA-N 0 3 270.332 2.238 10 10 CECEHN Nc1cccc2c1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC000038032665 174028378 /nfs/dbraw/zinc/02/83/78/174028378.db2.gz JGKMEDPYVOCMHO-UHFFFAOYSA-N 0 3 270.332 2.238 10 10 CECEHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1[O-] ZINC000282277041 288065148 /nfs/dbraw/zinc/06/51/48/288065148.db2.gz KURXHHAYYKWFCS-KGYLQXTDSA-N 0 3 262.353 2.100 10 10 CECEHN CO[C@H]1C=CC2=CCN3CCc4cc(O)c(O)cc4[C@]23C1 ZINC000015203703 571735182 /nfs/dbraw/zinc/73/51/82/571735182.db2.gz GNBQGLMYBIWCOO-GUYCJALGSA-N 0 3 285.343 2.066 10 10 endogenous,in-man CECEHN CN(Cc1c([O-])cccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000156018944 261111500 /nfs/dbraw/zinc/11/15/00/261111500.db2.gz HPXWTZBKLGWPIQ-NSHDSACASA-N 0 3 268.788 2.429 10 10 CECEHN CN(Cc1c([O-])cccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000156018944 261111498 /nfs/dbraw/zinc/11/14/98/261111498.db2.gz HPXWTZBKLGWPIQ-NSHDSACASA-N 0 3 268.788 2.429 10 10 CECEHN COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000077204631 326923101 /nfs/dbraw/zinc/92/31/01/326923101.db2.gz VBCLNJXEGIFHHK-AAEUAGOBSA-N 0 3 265.353 2.042 10 10 CECEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223066 641951280 /nfs/dbraw/zinc/95/12/80/641951280.db2.gz RGWAYYJPYNBPAT-AWEZNQCLSA-N 0 3 257.337 2.253 10 10 CECEHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223066 641951286 /nfs/dbraw/zinc/95/12/86/641951286.db2.gz RGWAYYJPYNBPAT-AWEZNQCLSA-N 0 3 257.337 2.253 10 10 CECEHN CCC[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000136461461 366514477 /nfs/dbraw/zinc/51/44/77/366514477.db2.gz PFJWZOCVOYKGBH-CYBMUJFWSA-N 0 3 264.369 2.081 10 10 CECEHN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(F)c1[O-] ZINC000160249404 366988074 /nfs/dbraw/zinc/98/80/74/366988074.db2.gz IFCDDFRNJRBGTG-CYBMUJFWSA-N 0 3 266.360 2.447 10 10 CECEHN CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(F)c1[O-] ZINC000160249404 366988079 /nfs/dbraw/zinc/98/80/79/366988079.db2.gz IFCDDFRNJRBGTG-CYBMUJFWSA-N 0 3 266.360 2.447 10 10 CECEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000226610901 370349014 /nfs/dbraw/zinc/34/90/14/370349014.db2.gz INRNHCALACEULP-ZWNOBZJWSA-N 0 3 253.317 2.172 10 10 CECEHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1[O-] ZINC000229120803 370420342 /nfs/dbraw/zinc/42/03/42/370420342.db2.gz AZUFVDPWEUTTGD-LLVKDONJSA-N 0 3 298.814 2.438 10 10 CECEHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1[O-] ZINC000229120803 370420344 /nfs/dbraw/zinc/42/03/44/370420344.db2.gz AZUFVDPWEUTTGD-LLVKDONJSA-N 0 3 298.814 2.438 10 10 CECEHN [O-]c1cc(O)ccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137779 171025224 /nfs/dbraw/zinc/02/52/24/171025224.db2.gz VQFLXHGSLGKGDB-ZDUSSCGKSA-N 0 3 287.315 2.027 10 10 CECEHN C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000038044104 174051626 /nfs/dbraw/zinc/05/16/26/174051626.db2.gz RZSCIBSXHDNFSM-WDEREUQCSA-N 0 3 251.326 2.175 10 10 CECEHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c([O-])c1 ZINC000184935661 262034066 /nfs/dbraw/zinc/03/40/66/262034066.db2.gz GBBBFYQWBDABFX-UONOGXRCSA-N 0 3 278.396 2.072 10 10 CECEHN COc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000184691097 262292053 /nfs/dbraw/zinc/29/20/53/262292053.db2.gz SWOLUVWQJLFFML-CYBMUJFWSA-N 0 3 296.798 2.334 10 10 CECEHN COc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000184691097 262292055 /nfs/dbraw/zinc/29/20/55/262292055.db2.gz SWOLUVWQJLFFML-CYBMUJFWSA-N 0 3 296.798 2.334 10 10 CECEHN CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880112 519342040 /nfs/dbraw/zinc/34/20/40/519342040.db2.gz JHVGXCGYFFUGQS-CYBMUJFWSA-N 0 3 294.395 2.187 10 10 CECEHN CNCc1cc(F)c(N(CCOC)C2CC2)c(F)c1 ZINC000062712830 522112060 /nfs/dbraw/zinc/11/20/60/522112060.db2.gz JEGVFKIYOJICIO-UHFFFAOYSA-N 0 3 270.323 2.299 10 10 CECEHN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2[O-])CC1 ZINC000106249967 186104720 /nfs/dbraw/zinc/10/47/20/186104720.db2.gz JRKBVFRYGIPTMI-HOMQSWHASA-N 0 3 251.326 2.472 10 10 CECEHN COc1ccc(O)c(CN2CCC[C@H]2c2cnn(C)c2)c1 ZINC000180052742 368366117 /nfs/dbraw/zinc/36/61/17/368366117.db2.gz JQEJLTLPLBGNPU-HNNXBMFYSA-N 0 3 287.363 2.471 10 10 CECEHN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000049553153 524476697 /nfs/dbraw/zinc/47/66/97/524476697.db2.gz PLFLWTCQCYXURI-QWRGUYRKSA-N 0 3 252.358 2.089 10 10 CECEHN CCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C ZINC000152374986 640216501 /nfs/dbraw/zinc/21/65/01/640216501.db2.gz VWAVMWOKDYKNMH-FZMZJTMJSA-N 0 3 294.395 2.308 10 10 CECEHN CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(F)c1[O-] ZINC000160249544 366987722 /nfs/dbraw/zinc/98/77/22/366987722.db2.gz IFCDDFRNJRBGTG-ZDUSSCGKSA-N 0 3 266.360 2.447 10 10 CECEHN CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(F)c1[O-] ZINC000160249544 366987728 /nfs/dbraw/zinc/98/77/28/366987728.db2.gz IFCDDFRNJRBGTG-ZDUSSCGKSA-N 0 3 266.360 2.447 10 10 CECEHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000180160352 368370451 /nfs/dbraw/zinc/37/04/51/368370451.db2.gz VSHLZTVFUMXMFV-SMDDNHRTSA-N 0 3 264.344 2.200 10 10 CECEHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000180160352 368370454 /nfs/dbraw/zinc/37/04/54/368370454.db2.gz VSHLZTVFUMXMFV-SMDDNHRTSA-N 0 3 264.344 2.200 10 10 CECEHN CC[C@H]([NH2+]CCCC(=O)OC)c1ccccc1[O-] ZINC000037416253 173193092 /nfs/dbraw/zinc/19/30/92/173193092.db2.gz AGKOIWOZJZDJOE-LBPRGKRZSA-N 0 3 251.326 2.386 10 10 CECEHN CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000155278354 261099789 /nfs/dbraw/zinc/09/97/89/261099789.db2.gz MCLVAWNMEHMXQP-ZBFHGGJFSA-N 0 3 292.423 2.280 10 10 CECEHN CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000156503569 261124721 /nfs/dbraw/zinc/12/47/21/261124721.db2.gz RNFGHVHLNJOKRA-AAEUAGOBSA-N 0 3 272.352 2.039 10 10 CECEHN COc1cc(Cl)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000229119717 333300695 /nfs/dbraw/zinc/30/06/95/333300695.db2.gz RCIJVOHANSQNEX-GXFFZTMASA-N 0 3 298.814 2.436 10 10 CECEHN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(O)cc1[O-] ZINC000049553155 525596366 /nfs/dbraw/zinc/59/63/66/525596366.db2.gz PLFLWTCQCYXURI-WDEREUQCSA-N 0 3 252.358 2.089 10 10 CECEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000282494901 375498949 /nfs/dbraw/zinc/49/89/49/375498949.db2.gz XRTZJZYAKXXTHB-GVXVVHGQSA-N 0 3 262.353 2.018 10 10 CECEHN COc1cc(O)c(CN2CCS[C@@H](C)C2)cc1OC ZINC000160145206 261205907 /nfs/dbraw/zinc/20/59/07/261205907.db2.gz JDZQSQLIKGLJFN-JTQLQIEISA-N 0 3 283.393 2.347 10 10 CECEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085962931 524754188 /nfs/dbraw/zinc/75/41/88/524754188.db2.gz HDMYAPKIMRKFPA-FZMZJTMJSA-N 0 3 265.353 2.042 10 10 CECEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000282494895 525937922 /nfs/dbraw/zinc/93/79/22/525937922.db2.gz XRTZJZYAKXXTHB-GMXVVIOVSA-N 0 3 262.353 2.018 10 10 CECEHN NCC[C@H]([NH3+])c1c([O-])c(Cl)ccc1Br ZINC000306894208 344718318 /nfs/dbraw/zinc/71/83/18/344718318.db2.gz KQHQSRWGWQECIT-ZETCQYMHSA-N 0 3 279.565 2.157 10 10 CECEHN N[C@@H](CC[NH3+])c1c([O-])c(Cl)ccc1Br ZINC000306894208 344718321 /nfs/dbraw/zinc/71/83/21/344718321.db2.gz KQHQSRWGWQECIT-ZETCQYMHSA-N 0 3 279.565 2.157 10 10 CECEHN Cc1ncsc1CN(C)Cc1cc(N)ccc1O ZINC000104448194 186005676 /nfs/dbraw/zinc/00/56/76/186005676.db2.gz PAKRUMAZHHQYRA-UHFFFAOYSA-N 0 3 263.366 2.371 10 10 CECEHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000151623222 366655487 /nfs/dbraw/zinc/65/54/87/366655487.db2.gz XPPWGTRSXKXLCG-CYBMUJFWSA-N 0 3 277.364 2.394 10 10 CECEHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000151623222 366655491 /nfs/dbraw/zinc/65/54/91/366655491.db2.gz XPPWGTRSXKXLCG-CYBMUJFWSA-N 0 3 277.364 2.394 10 10 CECEHN COc1cccc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000131919977 394922009 /nfs/dbraw/zinc/92/20/09/394922009.db2.gz GMWISNLIGAVARS-CQSZACIVSA-N 0 3 287.363 2.471 10 10 CECEHN C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000038095488 174109429 /nfs/dbraw/zinc/10/94/29/174109429.db2.gz SGQFLOHHGKHFSS-JQWIXIFHSA-N 0 3 251.326 2.318 10 10 CECEHN [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000044539709 639321790 /nfs/dbraw/zinc/32/17/90/639321790.db2.gz PFNWSJYMXZGNHA-LBPRGKRZSA-N 0 3 254.761 2.359 10 10 CECEHN COc1cc(Cl)cc(C[NH2+]C2CC(OC)C2)c1[O-] ZINC000230935855 639807450 /nfs/dbraw/zinc/80/74/50/639807450.db2.gz HHRYJQAMEKKCCI-UHFFFAOYSA-N 0 3 271.744 2.321 10 10 CECEHN C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1[NH+](C)C ZINC000131460442 652427444 /nfs/dbraw/zinc/42/74/44/652427444.db2.gz DMOCMNGNEHJTCX-MFKMUULPSA-N 0 3 268.788 2.428 10 10 CECEHN COc1ccc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000180052758 368366315 /nfs/dbraw/zinc/36/63/15/368366315.db2.gz JQEJLTLPLBGNPU-OAHLLOKOSA-N 0 3 287.363 2.471 10 10 CECEHN Cn1cc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)cn1 ZINC000179577569 395197072 /nfs/dbraw/zinc/19/70/72/395197072.db2.gz NCGFSIGKJWUEPE-LBPRGKRZSA-N 0 3 257.337 2.115 10 10 CECEHN Cn1cc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cn1 ZINC000179577569 395197073 /nfs/dbraw/zinc/19/70/73/395197073.db2.gz NCGFSIGKJWUEPE-LBPRGKRZSA-N 0 3 257.337 2.115 10 10 CECEHN Cc1cnn(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296264277 395315929 /nfs/dbraw/zinc/31/59/29/395315929.db2.gz BPQSRLJQRAMRDF-CYBMUJFWSA-N 0 3 257.337 2.174 10 10 CECEHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137776 171025431 /nfs/dbraw/zinc/02/54/31/171025431.db2.gz VQFLXHGSLGKGDB-CYBMUJFWSA-N 0 3 287.315 2.027 10 10 CECEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128514279 525343044 /nfs/dbraw/zinc/34/30/44/525343044.db2.gz ZINRDKMGUVKGCR-CYBMUJFWSA-N 0 3 271.364 2.424 10 10 CECEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128514279 525343049 /nfs/dbraw/zinc/34/30/49/525343049.db2.gz ZINRDKMGUVKGCR-CYBMUJFWSA-N 0 3 271.364 2.424 10 10 CECEHN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCN(C)C2)c1[O-] ZINC000229120814 370420585 /nfs/dbraw/zinc/42/05/85/370420585.db2.gz AZUFVDPWEUTTGD-NSHDSACASA-N 0 3 298.814 2.438 10 10 CECEHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1[O-] ZINC000229120814 370420589 /nfs/dbraw/zinc/42/05/89/370420589.db2.gz AZUFVDPWEUTTGD-NSHDSACASA-N 0 3 298.814 2.438 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282196800 375426669 /nfs/dbraw/zinc/42/66/69/375426669.db2.gz GPWAAHUYEQOKRO-LOWVWBTDSA-N 0 3 262.353 2.018 10 10 CECEHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000158721254 395052749 /nfs/dbraw/zinc/05/27/49/395052749.db2.gz OEIGUFNUIBGMIU-NSHDSACASA-N 0 3 264.344 2.105 10 10 CECEHN COC(=O)CCCNCc1ccc(OC)c(C)c1 ZINC000037416632 173194209 /nfs/dbraw/zinc/19/42/09/173194209.db2.gz SEGBVLCBUPCKSP-UHFFFAOYSA-N 0 3 251.326 2.046 10 10 CECEHN Cc1ccc([O-])c(C[NH2+][C@H](CN(C)C)C(C)C)c1 ZINC000071408391 176156838 /nfs/dbraw/zinc/15/68/38/176156838.db2.gz QDPRITRDVSVKIK-CQSZACIVSA-N 0 3 250.386 2.376 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2C)c1[O-] ZINC000228676760 329344242 /nfs/dbraw/zinc/34/42/42/329344242.db2.gz HBXNWXZBXCGPQT-KCJUWKMLSA-N 0 3 271.744 2.321 10 10 CECEHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000246027195 334228196 /nfs/dbraw/zinc/22/81/96/334228196.db2.gz VSHLZTVFUMXMFV-FZMZJTMJSA-N 0 3 264.344 2.200 10 10 CECEHN C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000246027195 334228197 /nfs/dbraw/zinc/22/81/97/334228197.db2.gz VSHLZTVFUMXMFV-FZMZJTMJSA-N 0 3 264.344 2.200 10 10 CECEHN CC(=O)c1cc(F)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000094351187 518283896 /nfs/dbraw/zinc/28/38/96/518283896.db2.gz CASZLNMEKOHVOE-CQSZACIVSA-N 0 3 292.354 2.014 10 10 CECEHN CC(=O)c1cc(F)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000094351187 518283905 /nfs/dbraw/zinc/28/39/05/518283905.db2.gz CASZLNMEKOHVOE-CQSZACIVSA-N 0 3 292.354 2.014 10 10 CECEHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1[NH+](C)C ZINC000251780000 524979945 /nfs/dbraw/zinc/97/99/45/524979945.db2.gz MXCLDDVNWYAWDK-ZWNOBZJWSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1N(C)C ZINC000251780000 524979957 /nfs/dbraw/zinc/97/99/57/524979957.db2.gz MXCLDDVNWYAWDK-ZWNOBZJWSA-N 0 3 268.788 2.428 10 10 CECEHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1N(C)C ZINC000251780000 524979964 /nfs/dbraw/zinc/97/99/64/524979964.db2.gz MXCLDDVNWYAWDK-ZWNOBZJWSA-N 0 3 268.788 2.428 10 10 CECEHN CCCOc1cc(N(C)CCN(C)C)ccc1N ZINC000111131801 186356223 /nfs/dbraw/zinc/35/62/23/186356223.db2.gz GFZCWEZKTVDQFQ-UHFFFAOYSA-N 0 3 251.374 2.055 10 10 CECEHN Cc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000180066663 368366169 /nfs/dbraw/zinc/36/61/69/368366169.db2.gz MNXBLGJKWUHEEN-CQSZACIVSA-N 0 3 272.352 2.129 10 10 CECEHN Cc1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000180066663 368366171 /nfs/dbraw/zinc/36/61/71/368366171.db2.gz MNXBLGJKWUHEEN-CQSZACIVSA-N 0 3 272.352 2.129 10 10 CECEHN CC(C)N1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000020189050 171054568 /nfs/dbraw/zinc/05/45/68/171054568.db2.gz VMDHSKWXKPUROC-UHFFFAOYSA-N 0 3 264.369 2.060 10 10 CECEHN CCN(CC)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000035224773 172069798 /nfs/dbraw/zinc/06/97/98/172069798.db2.gz DHEDFOMPQDELBS-CYBMUJFWSA-N 0 3 277.412 2.099 10 10 CECEHN CCN(CC)c1ccc(CNCC(OC)OC)cc1 ZINC000037388207 173171624 /nfs/dbraw/zinc/17/16/24/173171624.db2.gz UDJJIVFTTWVKNC-UHFFFAOYSA-N 0 3 266.385 2.241 10 10 CECEHN C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000038095489 174109478 /nfs/dbraw/zinc/10/94/78/174109478.db2.gz SGQFLOHHGKHFSS-PWSUYJOCSA-N 0 3 251.326 2.318 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934272 262033959 /nfs/dbraw/zinc/03/39/59/262033959.db2.gz LPSWGAAPOCUUQP-KGLIPLIRSA-N 0 3 278.396 2.072 10 10 CECEHN CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000185207128 262046334 /nfs/dbraw/zinc/04/63/34/262046334.db2.gz QSFCALHRPNONLU-ZFWWWQNUSA-N 0 3 278.396 2.154 10 10 CECEHN COCCOCC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000044693459 524009955 /nfs/dbraw/zinc/00/99/55/524009955.db2.gz BEKBJVYCMOHWOR-UHFFFAOYSA-N 0 3 275.348 2.298 10 10 CECEHN CCOc1cccc(CN2CCC[C@@H](C(=O)OC)C2)c1O ZINC000123219289 365636122 /nfs/dbraw/zinc/63/61/22/365636122.db2.gz INDOBGCWFYEGBS-CYBMUJFWSA-N 0 3 293.363 2.176 10 10 CECEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1[O-] ZINC000123219289 365636128 /nfs/dbraw/zinc/63/61/28/365636128.db2.gz INDOBGCWFYEGBS-CYBMUJFWSA-N 0 3 293.363 2.176 10 10 CECEHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1[O-] ZINC000123219289 365636133 /nfs/dbraw/zinc/63/61/33/365636133.db2.gz INDOBGCWFYEGBS-CYBMUJFWSA-N 0 3 293.363 2.176 10 10 CECEHN COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000077204636 363546123 /nfs/dbraw/zinc/54/61/23/363546123.db2.gz VBCLNJXEGIFHHK-DGCLKSJQSA-N 0 3 265.353 2.042 10 10 CECEHN C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 ZINC000083433801 135021017 /nfs/dbraw/zinc/02/10/17/135021017.db2.gz CTRITCGEWTZDMI-SECBINFHSA-N 0 3 260.259 2.383 10 10 CECEHN C[C@H](C[NH2+]Cc1cccc(F)c1[O-])CN1CCCC1 ZINC000158765242 395053607 /nfs/dbraw/zinc/05/36/07/395053607.db2.gz ZFGVWZMVRDTINE-GFCCVEGCSA-N 0 3 266.360 2.353 10 10 CECEHN COc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c([O-])c1 ZINC000038088242 174101641 /nfs/dbraw/zinc/10/16/41/174101641.db2.gz NHIKLYBFBYQTKQ-MNOVXSKESA-N 0 3 252.358 2.002 10 10 CECEHN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(F)ccc1[O-] ZINC000185115697 262042057 /nfs/dbraw/zinc/04/20/57/262042057.db2.gz HVTUUKNLPGXASP-JSGCOSHPSA-N 0 3 296.386 2.029 10 10 CECEHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183597165 329250805 /nfs/dbraw/zinc/25/08/05/329250805.db2.gz BTLGJPPYCORNSG-NWDGAFQWSA-N 0 3 286.379 2.212 10 10 CECEHN Nc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019726899 170845486 /nfs/dbraw/zinc/84/54/86/170845486.db2.gz NFKYRFGQWGYXEI-UHFFFAOYSA-N 0 3 259.397 2.329 10 10 CECEHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c([O-])c1 ZINC000185115386 262041969 /nfs/dbraw/zinc/04/19/69/262041969.db2.gz XKTIDHWIFPVGBX-CABCVRRESA-N 0 3 292.423 2.198 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282196789 301654698 /nfs/dbraw/zinc/65/46/98/301654698.db2.gz GPWAAHUYEQOKRO-GMXVVIOVSA-N 0 3 262.353 2.018 10 10 CECEHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1[O-] ZINC000083385045 178393089 /nfs/dbraw/zinc/39/30/89/178393089.db2.gz PXWMWMLWIKNTQD-ONGXEEELSA-N 0 3 251.326 2.472 10 10 CECEHN NCC[C@@H]([NH3+])c1c([O-])c(Cl)ccc1Br ZINC000306576658 344714502 /nfs/dbraw/zinc/71/45/02/344714502.db2.gz KQHQSRWGWQECIT-SSDOTTSWSA-N 0 3 279.565 2.157 10 10 CECEHN N[C@H](CC[NH3+])c1c([O-])c(Cl)ccc1Br ZINC000306576658 344714503 /nfs/dbraw/zinc/71/45/03/344714503.db2.gz KQHQSRWGWQECIT-SSDOTTSWSA-N 0 3 279.565 2.157 10 10 CECEHN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179643529 368346245 /nfs/dbraw/zinc/34/62/45/368346245.db2.gz JVDBKNCGTZNLFL-CYBMUJFWSA-N 0 3 263.337 2.086 10 10 CECEHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179643529 368346251 /nfs/dbraw/zinc/34/62/51/368346251.db2.gz JVDBKNCGTZNLFL-CYBMUJFWSA-N 0 3 263.337 2.086 10 10 CECEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000119500345 394768486 /nfs/dbraw/zinc/76/84/86/394768486.db2.gz GGDMKAWDURCATL-OAHLLOKOSA-N 0 3 286.379 2.438 10 10 CECEHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000119500345 394768488 /nfs/dbraw/zinc/76/84/88/394768488.db2.gz GGDMKAWDURCATL-OAHLLOKOSA-N 0 3 286.379 2.438 10 10 CECEHN CN(c1cccnn1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179577713 395196607 /nfs/dbraw/zinc/19/66/07/395196607.db2.gz FFDMEKCOXZOZHC-UHFFFAOYSA-N 0 3 298.390 2.283 10 10 CECEHN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(O)ccc1[O-] ZINC000020125824 171008838 /nfs/dbraw/zinc/00/88/38/171008838.db2.gz MBLUONBVSSKGPP-SNVBAGLBSA-N 0 3 252.358 2.089 10 10 CECEHN CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000156503444 261124552 /nfs/dbraw/zinc/12/45/52/261124552.db2.gz RNFGHVHLNJOKRA-DGCLKSJQSA-N 0 3 272.352 2.039 10 10 CECEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c([O-])c1 ZINC000185115434 262042142 /nfs/dbraw/zinc/04/21/42/262042142.db2.gz XKTIDHWIFPVGBX-LSDHHAIUSA-N 0 3 292.423 2.198 10 10 CECEHN CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1[O-] ZINC000164047116 639343440 /nfs/dbraw/zinc/34/34/40/639343440.db2.gz RNFJORJYOINICP-ZFWWWQNUSA-N 0 3 278.396 2.154 10 10 CECEHN CN(C)c1cccc(NC(=O)c2cccc(CN)c2)c1 ZINC000082698863 178200149 /nfs/dbraw/zinc/20/01/49/178200149.db2.gz HKLRAIDKZKDAKZ-UHFFFAOYSA-N 0 3 269.348 2.464 10 10 CECEHN CCN(CC)c1ccc(CN[C@@H](C(N)=O)C(C)C)cc1 ZINC000223958680 540161544 /nfs/dbraw/zinc/16/15/44/540161544.db2.gz VZCDDEWCQTWRMA-OAHLLOKOSA-N 0 3 277.412 2.132 10 10 CECEHN Oc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1O ZINC000020137737 171025186 /nfs/dbraw/zinc/02/51/86/171025186.db2.gz SFSCCISWDISKDV-GFCCVEGCSA-N 0 3 287.315 2.027 10 10 CECEHN [O-]c1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000179571434 261798233 /nfs/dbraw/zinc/79/82/33/261798233.db2.gz ZPAUMWQAABWCKK-UHFFFAOYSA-N 0 3 284.363 2.259 10 10 CECEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c([O-])c1 ZINC000185115420 262041844 /nfs/dbraw/zinc/04/18/44/262041844.db2.gz XKTIDHWIFPVGBX-HUUCEWRRSA-N 0 3 292.423 2.198 10 10 CECEHN CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000168866059 639587331 /nfs/dbraw/zinc/58/73/31/639587331.db2.gz MIFVOGPGKNJFIS-KBPBESRZSA-N 0 3 278.396 2.072 10 10 CECEHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1[O-] ZINC000134247155 366302244 /nfs/dbraw/zinc/30/22/44/366302244.db2.gz SGVGHCPTUNJHRA-PWSUYJOCSA-N 0 3 251.326 2.058 10 10 CECEHN [O-]c1cc(O)ccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020124354 171006081 /nfs/dbraw/zinc/00/60/81/171006081.db2.gz SCUJAMSGZBNVGG-UHFFFAOYSA-N 0 3 273.288 2.116 10 10 CECEHN CC[C@@H](C)N(CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273449 173085965 /nfs/dbraw/zinc/08/59/65/173085965.db2.gz ADPJCKGRRQDRSI-GFCCVEGCSA-N 0 3 263.385 2.352 10 10 CECEHN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(O)ccc1[O-] ZINC000038043935 174051489 /nfs/dbraw/zinc/05/14/89/174051489.db2.gz RAOPGNCPOCJAMT-GHMZBOCLSA-N 0 3 251.326 2.175 10 10 CECEHN CCOc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1[O-] ZINC000038095460 174109253 /nfs/dbraw/zinc/10/92/53/174109253.db2.gz GNBPLEFWJAJUGL-ZDUSSCGKSA-N 0 3 265.353 2.450 10 10 CECEHN CC(=O)c1cc(F)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000246422387 334257248 /nfs/dbraw/zinc/25/72/48/334257248.db2.gz CASZLNMEKOHVOE-AWEZNQCLSA-N 0 3 292.354 2.014 10 10 CECEHN CC(=O)c1cc(F)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000246422387 334257249 /nfs/dbraw/zinc/25/72/49/334257249.db2.gz CASZLNMEKOHVOE-AWEZNQCLSA-N 0 3 292.354 2.014 10 10 CECEHN CCOc1ccc(O)c(CN2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123256759 365635672 /nfs/dbraw/zinc/63/56/72/365635672.db2.gz QEZBCFHQFPBQCB-GFCCVEGCSA-N 0 3 293.363 2.176 10 10 CECEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123256759 365635677 /nfs/dbraw/zinc/63/56/77/365635677.db2.gz QEZBCFHQFPBQCB-GFCCVEGCSA-N 0 3 293.363 2.176 10 10 CECEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123256759 365635680 /nfs/dbraw/zinc/63/56/80/365635680.db2.gz QEZBCFHQFPBQCB-GFCCVEGCSA-N 0 3 293.363 2.176 10 10 CECEHN NCC[C@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000306897356 344718373 /nfs/dbraw/zinc/71/83/73/344718373.db2.gz SUNKOUNXLWNEQT-QMMMGPOBSA-N 0 3 279.565 2.157 10 10 CECEHN C[NH+](C)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000134174620 366295030 /nfs/dbraw/zinc/29/50/30/366295030.db2.gz CIRMHSNVXYJWNF-LBPRGKRZSA-N 0 3 299.212 2.291 10 10 CECEHN CCCCOC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000195187973 395461322 /nfs/dbraw/zinc/46/13/22/395461322.db2.gz TXIJHKBVNCORHN-CQSZACIVSA-N 0 3 267.369 2.002 10 10 CECEHN CCCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000195187973 395461323 /nfs/dbraw/zinc/46/13/23/395461323.db2.gz TXIJHKBVNCORHN-CQSZACIVSA-N 0 3 267.369 2.002 10 10 CECEHN C[C@@H]([NH2+]CCc1ccccn1)c1ccc(O)cc1[O-] ZINC000019916631 170925888 /nfs/dbraw/zinc/92/58/88/170925888.db2.gz INPQZTPAEGFHII-LLVKDONJSA-N 0 3 258.321 2.386 10 10 CECEHN CCCN1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000020189624 171055830 /nfs/dbraw/zinc/05/58/30/171055830.db2.gz JLJCEZUPBIMEBN-UHFFFAOYSA-N 0 3 264.369 2.062 10 10 CECEHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c([O-])c1 ZINC000184935683 262033933 /nfs/dbraw/zinc/03/39/33/262033933.db2.gz GBBBFYQWBDABFX-KBPBESRZSA-N 0 3 278.396 2.072 10 10 CECEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934297 262034098 /nfs/dbraw/zinc/03/40/98/262034098.db2.gz LPSWGAAPOCUUQP-UONOGXRCSA-N 0 3 278.396 2.072 10 10 CECEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934321 262034197 /nfs/dbraw/zinc/03/41/97/262034197.db2.gz LPSWGAAPOCUUQP-KBPBESRZSA-N 0 3 278.396 2.072 10 10 CECEHN COc1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000229119703 333300663 /nfs/dbraw/zinc/30/06/63/333300663.db2.gz RCIJVOHANSQNEX-ZWNOBZJWSA-N 0 3 298.814 2.436 10 10 CECEHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000246027199 334228184 /nfs/dbraw/zinc/22/81/84/334228184.db2.gz VSHLZTVFUMXMFV-RISCZKNCSA-N 0 3 264.344 2.200 10 10 CECEHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000246027199 334228186 /nfs/dbraw/zinc/22/81/86/334228186.db2.gz VSHLZTVFUMXMFV-RISCZKNCSA-N 0 3 264.344 2.200 10 10 CECEHN [O-]c1cc2c(cc1C[NH2+]CC1CC(F)(F)C1)OCO2 ZINC000291654826 526336681 /nfs/dbraw/zinc/33/66/81/526336681.db2.gz DGVXXBLRTAQIPX-UHFFFAOYSA-N 0 3 271.263 2.256 10 10 CECEHN CCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226586126 639555081 /nfs/dbraw/zinc/55/50/81/639555081.db2.gz DFHMLJLFOGBKLJ-CYBMUJFWSA-N 0 3 252.333 2.105 10 10 CECEHN [O-]c1c(O)cc2c(c1F)CC[NH2+]C[C@H]2c1ccc(O)cc1 ZINC000026390147 361638881 /nfs/dbraw/zinc/63/88/81/361638881.db2.gz VCANAEDMYJEQEH-ZDUSSCGKSA-N 0 3 289.306 2.220 10 10 CECEHN COc1ccc([O-])c(C[NH2+]CCCOC(C)C)c1 ZINC000020198473 171062308 /nfs/dbraw/zinc/06/23/08/171062308.db2.gz YYHJYQSFXQWICJ-UHFFFAOYSA-N 0 3 253.342 2.306 10 10 CECEHN CCNC(=O)[C@H](C)N(Cc1ccc(N)cc1)C(C)C ZINC000035365435 172155592 /nfs/dbraw/zinc/15/55/92/172155592.db2.gz YCNYSDMAOILIDU-LBPRGKRZSA-N 0 3 263.385 2.004 10 10 CECEHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OC)cc1[O-] ZINC000038013890 173984361 /nfs/dbraw/zinc/98/43/61/173984361.db2.gz SWMDUWDKXGAHIE-RYUDHWBXSA-N 0 3 294.395 2.356 10 10 CECEHN C[C@@H](c1ccc(F)cc1[O-])N1CCCC[C@@H]1C[NH3+] ZINC000062749278 526060180 /nfs/dbraw/zinc/06/01/80/526060180.db2.gz DYTJZFGOHNPQQV-CMPLNLGQSA-N 0 3 252.333 2.406 10 10 CECEHN C[C@@H](c1ccc(F)cc1[O-])[N@@H+]1CCCC[C@@H]1CN ZINC000062749278 526060185 /nfs/dbraw/zinc/06/01/85/526060185.db2.gz DYTJZFGOHNPQQV-CMPLNLGQSA-N 0 3 252.333 2.406 10 10 CECEHN C[C@@H](c1ccc(F)cc1[O-])[N@H+]1CCCC[C@@H]1CN ZINC000062749278 526060189 /nfs/dbraw/zinc/06/01/89/526060189.db2.gz DYTJZFGOHNPQQV-CMPLNLGQSA-N 0 3 252.333 2.406 10 10 CECEHN NCC[C@H]([NH3+])c1c(Cl)ccc(Br)c1[O-] ZINC000306560492 344714487 /nfs/dbraw/zinc/71/44/87/344714487.db2.gz BDTFCMXMKIIMHC-ZETCQYMHSA-N 0 3 279.565 2.157 10 10 CECEHN N[C@@H](CC[NH3+])c1c(Cl)ccc(Br)c1[O-] ZINC000306560492 344714490 /nfs/dbraw/zinc/71/44/90/344714490.db2.gz BDTFCMXMKIIMHC-ZETCQYMHSA-N 0 3 279.565 2.157 10 10 CECEHN COc1ccc(C[NH2+]CCOC2CCCC2)c([O-])c1 ZINC000104154804 185912910 /nfs/dbraw/zinc/91/29/10/185912910.db2.gz OBFZLLYGGTUFLA-UHFFFAOYSA-N 0 3 265.353 2.450 10 10 CECEHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000180160334 368369666 /nfs/dbraw/zinc/36/96/66/368369666.db2.gz VSHLZTVFUMXMFV-BXUZGUMPSA-N 0 3 264.344 2.200 10 10 CECEHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000180160334 368369673 /nfs/dbraw/zinc/36/96/73/368369673.db2.gz VSHLZTVFUMXMFV-BXUZGUMPSA-N 0 3 264.344 2.200 10 10 CECEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493280 368384801 /nfs/dbraw/zinc/38/48/01/368384801.db2.gz RJQXSRVKIDXEJD-DLBZAZTESA-N 0 3 291.439 2.124 10 10 CECEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019947293 170937278 /nfs/dbraw/zinc/93/72/78/170937278.db2.gz YOKINZKFEDXUBP-IAQYHMDHSA-N 0 3 276.380 2.146 10 10 CECEHN CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000185207113 262046209 /nfs/dbraw/zinc/04/62/09/262046209.db2.gz QSFCALHRPNONLU-UKRRQHHQSA-N 0 3 278.396 2.154 10 10 CECEHN CCN(CC)c1ccc(CN[C@H](C(N)=O)C(C)C)cc1 ZINC000223958739 540161499 /nfs/dbraw/zinc/16/14/99/540161499.db2.gz VZCDDEWCQTWRMA-HNNXBMFYSA-N 0 3 277.412 2.132 10 10 CECEHN CCC[C@@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000136461417 366513892 /nfs/dbraw/zinc/51/38/92/366513892.db2.gz PFJWZOCVOYKGBH-ZDUSSCGKSA-N 0 3 264.369 2.081 10 10 CECEHN COCCN1CCN(Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000117323575 365102497 /nfs/dbraw/zinc/10/24/97/365102497.db2.gz QNLDUWRHMMSMNW-OAHLLOKOSA-N 0 3 292.423 2.162 10 10 CECEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1C ZINC000022153721 171360531 /nfs/dbraw/zinc/36/05/31/171360531.db2.gz RTHLAOKDNXFCTN-RYUDHWBXSA-N 0 3 261.369 2.470 10 10 CECEHN COc1ccc(CNCc2ncccc2C)c(O)c1 ZINC000071339976 176129937 /nfs/dbraw/zinc/12/99/37/176129937.db2.gz YKTXNTMBPMUMAN-UHFFFAOYSA-N 0 3 258.321 2.394 10 10 CECEHN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(F)ccc1[O-] ZINC000185115733 262041938 /nfs/dbraw/zinc/04/19/38/262041938.db2.gz HVTUUKNLPGXASP-GXTWGEPZSA-N 0 3 296.386 2.029 10 10 CECEHN NCC[C@H]([NH3+])c1ccc(Cl)c(Br)c1[O-] ZINC000306562435 344714581 /nfs/dbraw/zinc/71/45/81/344714581.db2.gz CLGIXXRTAPUZNQ-ZETCQYMHSA-N 0 3 279.565 2.157 10 10 CECEHN C[NH+](C)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000134174404 366294019 /nfs/dbraw/zinc/29/40/19/366294019.db2.gz CIRMHSNVXYJWNF-GFCCVEGCSA-N 0 3 299.212 2.291 10 10 CECEHN CCOc1cccc(C[N@H+](C)C[C@H]2CCN(C)C2)c1[O-] ZINC000156020289 366826206 /nfs/dbraw/zinc/82/62/06/366826206.db2.gz AZNYDRIUHHBFDL-ZDUSSCGKSA-N 0 3 278.396 2.174 10 10 CECEHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1[O-] ZINC000156020289 366826207 /nfs/dbraw/zinc/82/62/07/366826207.db2.gz AZNYDRIUHHBFDL-ZDUSSCGKSA-N 0 3 278.396 2.174 10 10 CECEHN COc1cccc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000131919779 394921980 /nfs/dbraw/zinc/92/19/80/394921980.db2.gz GMWISNLIGAVARS-AWEZNQCLSA-N 0 3 287.363 2.471 10 10 CECEHN Oc1ccc(CNC[C@H]2COc3ccccc3O2)cc1O ZINC000020137741 171025659 /nfs/dbraw/zinc/02/56/59/171025659.db2.gz SFSCCISWDISKDV-LBPRGKRZSA-N 0 3 287.315 2.027 10 10 CECEHN Cc1cc(CN[C@@H](C)C(N)=O)c(C)n1-c1ccccc1 ZINC000035148875 172010621 /nfs/dbraw/zinc/01/06/21/172010621.db2.gz IWEWURDFOXREJS-LBPRGKRZSA-N 0 3 271.364 2.058 10 10 CECEHN COCCNCc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000062737452 523951055 /nfs/dbraw/zinc/95/10/55/523951055.db2.gz IGOJJZKVGBQGFZ-GOEBONIOSA-N 0 3 260.381 2.411 10 10 CECEHN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000049553154 524168305 /nfs/dbraw/zinc/16/83/05/524168305.db2.gz PLFLWTCQCYXURI-MNOVXSKESA-N 0 3 252.358 2.089 10 10 CECEHN [NH3+][C@H](CCO)c1ccc(OCc2ccccc2)cc1[O-] ZINC000044236303 362151032 /nfs/dbraw/zinc/15/10/32/362151032.db2.gz PGLSPIUEGKGXLX-OAHLLOKOSA-N 0 3 273.332 2.353 10 10 CECEHN CCC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000120498274 365432395 /nfs/dbraw/zinc/43/23/95/365432395.db2.gz ODUADIXLPBRXMB-INIZCTEOSA-N 0 3 291.439 2.441 10 10 CECEHN Cc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000180066641 368367247 /nfs/dbraw/zinc/36/72/47/368367247.db2.gz MNXBLGJKWUHEEN-AWEZNQCLSA-N 0 3 272.352 2.129 10 10 CECEHN Cc1cccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000180066641 368367252 /nfs/dbraw/zinc/36/72/52/368367252.db2.gz MNXBLGJKWUHEEN-AWEZNQCLSA-N 0 3 272.352 2.129 10 10 CECEHN [O-]c1c(O)cc([C@H](O)C[NH2+]C2CCCC2)cc1Cl ZINC000199563052 370148954 /nfs/dbraw/zinc/14/89/54/370148954.db2.gz IRKMAGYGIANYCC-GFCCVEGCSA-N 0 3 271.744 2.317 10 10 CECEHN NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000007982897 170311622 /nfs/dbraw/zinc/31/16/22/170311622.db2.gz SQPUHTQLXZGKCV-HNNXBMFYSA-N 0 3 284.359 2.385 10 10 CECEHN NC(=O)[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000007982897 170311623 /nfs/dbraw/zinc/31/16/23/170311623.db2.gz SQPUHTQLXZGKCV-HNNXBMFYSA-N 0 3 284.359 2.385 10 10 CECEHN CCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000161275517 261241853 /nfs/dbraw/zinc/24/18/53/261241853.db2.gz SNHUQPMPUDUADD-HNNXBMFYSA-N 0 3 277.412 2.099 10 10 CECEHN CCC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000161836010 261261652 /nfs/dbraw/zinc/26/16/52/261261652.db2.gz DCAZQCGEBYUUCE-HNNXBMFYSA-N 0 3 295.402 2.238 10 10 CECEHN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114929 262042146 /nfs/dbraw/zinc/04/21/46/262042146.db2.gz MRLUALLZLQWTKW-OCCSQVGLSA-N 0 3 296.386 2.029 10 10 CECEHN C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114929 262042147 /nfs/dbraw/zinc/04/21/47/262042147.db2.gz MRLUALLZLQWTKW-OCCSQVGLSA-N 0 3 296.386 2.029 10 10 CECEHN CNCc1cc(F)c(N2CCOCC2(C)C)c(F)c1 ZINC000062712191 522113401 /nfs/dbraw/zinc/11/34/01/522113401.db2.gz FFKTVIGPJHFPKW-UHFFFAOYSA-N 0 3 270.323 2.299 10 10 CECEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128504636 525342780 /nfs/dbraw/zinc/34/27/80/525342780.db2.gz PABJSIYVFNWGDR-AWEZNQCLSA-N 0 3 286.379 2.204 10 10 CECEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128504636 525342783 /nfs/dbraw/zinc/34/27/83/525342783.db2.gz PABJSIYVFNWGDR-AWEZNQCLSA-N 0 3 286.379 2.204 10 10 CECEHN COC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000123183923 365635730 /nfs/dbraw/zinc/63/57/30/365635730.db2.gz PMRVOCALTDBROK-CQSZACIVSA-N 0 3 276.380 2.138 10 10 CECEHN C[NH+](C)[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000134173058 366294350 /nfs/dbraw/zinc/29/43/50/366294350.db2.gz BOJYVZKMFRQXKS-SNVBAGLBSA-N 0 3 254.761 2.182 10 10 CECEHN C[C@H](NCCO)c1ccc(N2CCCC2)c(F)c1 ZINC000020550909 361583189 /nfs/dbraw/zinc/58/31/89/361583189.db2.gz SFEUDGHWDNXNIL-NSHDSACASA-N 0 3 252.333 2.069 10 10 CECEHN NC(N)N=Nc1c2ccccc2nc2ccccc21 ZINC000004738462 170008147 /nfs/dbraw/zinc/00/81/47/170008147.db2.gz JHPKVYXKCHTPLJ-UHFFFAOYSA-N 0 3 251.293 2.198 10 10 CECEHN NC(N)=[NH+][N-]c1c2ccccc2nc2ccccc21 ZINC000004738462 170008148 /nfs/dbraw/zinc/00/81/48/170008148.db2.gz JHPKVYXKCHTPLJ-UHFFFAOYSA-N 0 3 251.293 2.198 10 10 CECEHN COc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000038088243 174101112 /nfs/dbraw/zinc/10/11/12/174101112.db2.gz NHIKLYBFBYQTKQ-WDEREUQCSA-N 0 3 252.358 2.002 10 10 CECEHN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(O)ccc1[O-] ZINC000038095565 174109490 /nfs/dbraw/zinc/10/94/90/174109490.db2.gz KFHFDBSTGCQIFR-ZYHUDNBSSA-N 0 3 251.326 2.318 10 10 CECEHN CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000185207147 262046294 /nfs/dbraw/zinc/04/62/94/262046294.db2.gz QSFCALHRPNONLU-DZGCQCFKSA-N 0 3 278.396 2.154 10 10 CECEHN [O-]c1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179567618 329209784 /nfs/dbraw/zinc/20/97/84/329209784.db2.gz CZWZILCSEUPBTJ-UHFFFAOYSA-N 0 3 257.337 2.495 10 10 CECEHN [NH3+]C[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000220298802 644265261 /nfs/dbraw/zinc/26/52/61/644265261.db2.gz SXZQDYPOSSHDNH-LLVKDONJSA-N 0 3 285.185 2.078 10 10 CECEHN COc1ccc(Br)c([C@@H]([NH3+])CF)c1[O-] ZINC000238432328 344606599 /nfs/dbraw/zinc/60/65/99/344606599.db2.gz YRWZGKDITSWIAI-LURJTMIESA-N 0 3 264.094 2.133 10 10 CECEHN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1[O-] ZINC000180128676 368367717 /nfs/dbraw/zinc/36/77/17/368367717.db2.gz KKYUHINVKAUAPY-CQSZACIVSA-N 0 3 266.360 2.447 10 10 CECEHN CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1[O-] ZINC000180128676 368367723 /nfs/dbraw/zinc/36/77/23/368367723.db2.gz KKYUHINVKAUAPY-CQSZACIVSA-N 0 3 266.360 2.447 10 10 CECEHN CN(Cc1c([O-])cccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000156019059 261111240 /nfs/dbraw/zinc/11/12/40/261111240.db2.gz HPXWTZBKLGWPIQ-LLVKDONJSA-N 0 3 268.788 2.429 10 10 CECEHN CN(Cc1c([O-])cccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000156019059 261111241 /nfs/dbraw/zinc/11/12/41/261111241.db2.gz HPXWTZBKLGWPIQ-LLVKDONJSA-N 0 3 268.788 2.429 10 10 CECEHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])N(C)C ZINC000020145664 171030959 /nfs/dbraw/zinc/03/09/59/171030959.db2.gz NGFNHDBLRXJKSS-FZMZJTMJSA-N 0 3 266.385 2.335 10 10 CECEHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000180499092 261862645 /nfs/dbraw/zinc/86/26/45/261862645.db2.gz XVHIQHFWUXJXEU-RHSMWYFYSA-N 0 3 291.439 2.124 10 10 CECEHN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(F)ccc1[O-] ZINC000185115715 262041962 /nfs/dbraw/zinc/04/19/62/262041962.db2.gz HVTUUKNLPGXASP-OCCSQVGLSA-N 0 3 296.386 2.029 10 10 CECEHN Cc1cnn(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185843879 642040791 /nfs/dbraw/zinc/04/07/91/642040791.db2.gz BRFVSEQHOAUOBD-NSHDSACASA-N 0 3 263.316 2.387 10 10 CECEHN [O-]c1c(O)cc([C@@H](O)C[NH2+]C2CCCC2)cc1Cl ZINC000199563065 370149052 /nfs/dbraw/zinc/14/90/52/370149052.db2.gz IRKMAGYGIANYCC-LBPRGKRZSA-N 0 3 271.744 2.317 10 10 CECEHN CC(C)C(=O)NCC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000020125194 171008581 /nfs/dbraw/zinc/00/85/81/171008581.db2.gz ISGMUSXEKIZNQD-UHFFFAOYSA-N 0 3 286.375 2.407 10 10 CECEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047276 174057343 /nfs/dbraw/zinc/05/73/43/174057343.db2.gz NORQHIQQVBWVBM-NWDGAFQWSA-N 0 3 297.420 2.273 10 10 CECEHN CCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000161275639 261242121 /nfs/dbraw/zinc/24/21/21/261242121.db2.gz SNHUQPMPUDUADD-OAHLLOKOSA-N 0 3 277.412 2.099 10 10 CECEHN CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1[O-] ZINC000051991431 327547942 /nfs/dbraw/zinc/54/79/42/327547942.db2.gz PUKIAZBQGOQGEN-QWHCGFSZSA-N 0 3 265.353 2.184 10 10 CECEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183257772 329248997 /nfs/dbraw/zinc/24/89/97/329248997.db2.gz ZZOINAVDBIXEPC-LBPRGKRZSA-N 0 3 290.342 2.035 10 10 CECEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183257772 329248999 /nfs/dbraw/zinc/24/89/99/329248999.db2.gz ZZOINAVDBIXEPC-LBPRGKRZSA-N 0 3 290.342 2.035 10 10 CECEHN CCOc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1[O-] ZINC000134247201 366302163 /nfs/dbraw/zinc/30/21/63/366302163.db2.gz SGVGHCPTUNJHRA-JQWIXIFHSA-N 0 3 251.326 2.058 10 10 CECEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493263 368383043 /nfs/dbraw/zinc/38/30/43/368383043.db2.gz RJQXSRVKIDXEJD-IRXDYDNUSA-N 0 3 291.439 2.124 10 10 CECEHN COc1ccc([C@@H](C)[NH2+]CCN2CCCC2)c([O-])c1 ZINC000020127089 171011749 /nfs/dbraw/zinc/01/17/49/171011749.db2.gz VCJNSXSAYHPRBV-GFCCVEGCSA-N 0 3 264.369 2.147 10 10 CECEHN COc1ccc([O-])c(C[NH2+]C[C@@H](C(C)C)N(C)C)c1 ZINC000020145985 171032164 /nfs/dbraw/zinc/03/21/64/171032164.db2.gz LLECPMUQDAPIKM-AWEZNQCLSA-N 0 3 266.385 2.077 10 10 CECEHN CC[C@H](C)N(CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273451 173085243 /nfs/dbraw/zinc/08/52/43/173085243.db2.gz ADPJCKGRRQDRSI-LBPRGKRZSA-N 0 3 263.385 2.352 10 10 CECEHN C[C@H](c1ccc(F)cc1[O-])N1CCCC[C@@H]1C[NH3+] ZINC000062749279 526064011 /nfs/dbraw/zinc/06/40/11/526064011.db2.gz DYTJZFGOHNPQQV-ZYHUDNBSSA-N 0 3 252.333 2.406 10 10 CECEHN C[C@H](c1ccc(F)cc1[O-])[N@@H+]1CCCC[C@@H]1CN ZINC000062749279 526064017 /nfs/dbraw/zinc/06/40/17/526064017.db2.gz DYTJZFGOHNPQQV-ZYHUDNBSSA-N 0 3 252.333 2.406 10 10 CECEHN C[C@H](c1ccc(F)cc1[O-])[N@H+]1CCCC[C@@H]1CN ZINC000062749279 526064023 /nfs/dbraw/zinc/06/40/23/526064023.db2.gz DYTJZFGOHNPQQV-ZYHUDNBSSA-N 0 3 252.333 2.406 10 10 CECEHN COc1cc(Br)cc([C@@H]([NH3+])CF)c1[O-] ZINC000238453940 344606522 /nfs/dbraw/zinc/60/65/22/344606522.db2.gz UPHCEUMRNLVFJQ-ZETCQYMHSA-N 0 3 264.094 2.133 10 10 CECEHN CN1Cc2c(N)cccc2[C@H](c2ccc(O)c(O)c2)C1 ZINC000027102842 361648768 /nfs/dbraw/zinc/64/87/68/361648768.db2.gz ODIYTWXTFQEXKZ-LBPRGKRZSA-N 0 3 270.332 2.257 10 10 CECEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282494893 375498816 /nfs/dbraw/zinc/49/88/16/375498816.db2.gz XRTZJZYAKXXTHB-DMDPSCGWSA-N 0 3 262.353 2.018 10 10 CECEHN COc1ccc(O)c(CN2CCS[C@@H](C)C2)c1 ZINC000180041451 261834511 /nfs/dbraw/zinc/83/45/11/261834511.db2.gz BNRIXTYKBGPZFS-JTQLQIEISA-N 0 3 253.367 2.338 10 10 CECEHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183597185 329250867 /nfs/dbraw/zinc/25/08/67/329250867.db2.gz BTLGJPPYCORNSG-RYUDHWBXSA-N 0 3 286.379 2.212 10 10 CECEHN COCCNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000062734304 523952016 /nfs/dbraw/zinc/95/20/16/523952016.db2.gz IEAWJORUANMUQH-ZIAGYGMSSA-N 0 3 278.396 2.036 10 10 CECEHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1[O-] ZINC000083385044 178392645 /nfs/dbraw/zinc/39/26/45/178392645.db2.gz PXWMWMLWIKNTQD-KOLCDFICSA-N 0 3 251.326 2.472 10 10 CECEHN CCN(C)c1ccc([C@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000180499116 368384622 /nfs/dbraw/zinc/38/46/22/368384622.db2.gz XVHIQHFWUXJXEU-WMLDXEAASA-N 0 3 291.439 2.124 10 10 CECEHN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(O)cc1[O-] ZINC000020125794 171008986 /nfs/dbraw/zinc/00/89/86/171008986.db2.gz XZKKWKNDHKBRJN-SNVBAGLBSA-N 0 3 252.358 2.089 10 10 CECEHN COc1ccc([C@H](C)[NH2+]CCN2CCCC2)c([O-])c1 ZINC000020127090 171012201 /nfs/dbraw/zinc/01/22/01/171012201.db2.gz VCJNSXSAYHPRBV-LBPRGKRZSA-N 0 3 264.369 2.147 10 10 CECEHN COc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000038088241 174101384 /nfs/dbraw/zinc/10/13/84/174101384.db2.gz NHIKLYBFBYQTKQ-QWRGUYRKSA-N 0 3 252.358 2.002 10 10 CECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2C)c1[O-] ZINC000228676773 329344248 /nfs/dbraw/zinc/34/42/48/329344248.db2.gz HBXNWXZBXCGPQT-GZMMTYOYSA-N 0 3 271.744 2.321 10 10 CECEHN CC[C@H]1CN(c2c(F)cc(CNC)cc2F)CCO1 ZINC000062710840 523307021 /nfs/dbraw/zinc/30/70/21/523307021.db2.gz HSWWCYXDPMOPFS-NSHDSACASA-N 0 3 270.323 2.299 10 10 CECEHN NCC[C@@H]([NH3+])c1c(Cl)ccc(Br)c1[O-] ZINC000306560491 344714670 /nfs/dbraw/zinc/71/46/70/344714670.db2.gz BDTFCMXMKIIMHC-SSDOTTSWSA-N 0 3 279.565 2.157 10 10 CECEHN N[C@H](CC[NH3+])c1c(Cl)ccc(Br)c1[O-] ZINC000306560491 344714671 /nfs/dbraw/zinc/71/46/71/344714671.db2.gz BDTFCMXMKIIMHC-SSDOTTSWSA-N 0 3 279.565 2.157 10 10 CECEHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=[N-] ZINC000221425965 394462515 /nfs/dbraw/zinc/46/25/15/394462515.db2.gz GBWQBBFEXNNPNO-LBPRGKRZSA-O 0 3 290.343 2.001 10 10 CECEHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000179571370 395197097 /nfs/dbraw/zinc/19/70/97/395197097.db2.gz HVDIIGPVKQZPHP-OAHLLOKOSA-N 0 3 298.390 2.283 10 10 CECEHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000179571370 395197100 /nfs/dbraw/zinc/19/71/00/395197100.db2.gz HVDIIGPVKQZPHP-OAHLLOKOSA-N 0 3 298.390 2.283 10 10 CECEHN CCN(CC(=O)N(C)c1ccc(N)cc1)CC(C)C ZINC000037273427 173085929 /nfs/dbraw/zinc/08/59/29/173085929.db2.gz RMAVIHSKVOLEAY-UHFFFAOYSA-N 0 3 263.385 2.210 10 10 CECEHN COc1ccc(C[NH2+]Cc2scnc2C)c([O-])c1 ZINC000071213039 176085033 /nfs/dbraw/zinc/08/50/33/176085033.db2.gz KWIZTNUQFDUTTE-UHFFFAOYSA-N 0 3 264.350 2.456 10 10 CECEHN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000251632816 334365959 /nfs/dbraw/zinc/36/59/59/334365959.db2.gz FNBFNELIEOAQIE-MEBBXXQBSA-N 0 3 294.370 2.116 10 10 CECEHN CC[C@@H]1CN(c2c(F)cc(CNC)cc2F)CCO1 ZINC000062710837 523471148 /nfs/dbraw/zinc/47/11/48/523471148.db2.gz HSWWCYXDPMOPFS-LLVKDONJSA-N 0 3 270.323 2.299 10 10 CECEHN CCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C ZINC000152375171 640216376 /nfs/dbraw/zinc/21/63/76/640216376.db2.gz VWAVMWOKDYKNMH-RISCZKNCSA-N 0 3 294.395 2.308 10 10 CECEHN COc1cc(Br)cc([C@H]([NH3+])CF)c1[O-] ZINC000238454404 344606784 /nfs/dbraw/zinc/60/67/84/344606784.db2.gz UPHCEUMRNLVFJQ-SSDOTTSWSA-N 0 3 264.094 2.133 10 10 CECEHN Nc1ccc(Br)c([C@H]2CCC[NH2+]2)c1[O-] ZINC000306506574 344713794 /nfs/dbraw/zinc/71/37/94/344713794.db2.gz GYIVLQORNMTWMZ-MRVPVSSYSA-N 0 3 257.131 2.161 10 10 CECEHN CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000156503696 261124919 /nfs/dbraw/zinc/12/49/19/261124919.db2.gz RNFGHVHLNJOKRA-WCQYABFASA-N 0 3 272.352 2.039 10 10 CECEHN CC[C@@](C)(O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000161504567 261249017 /nfs/dbraw/zinc/24/90/17/261249017.db2.gz PSYROAOKSCZMEX-MRXNPFEDSA-N 0 3 296.386 2.117 10 10 CECEHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183597212 329250857 /nfs/dbraw/zinc/25/08/57/329250857.db2.gz BTLGJPPYCORNSG-NEPJUHHUSA-N 0 3 286.379 2.212 10 10 CECEHN O=C1NCCC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000050394746 623406718 /nfs/dbraw/zinc/40/67/18/623406718.db2.gz CUHILOQUFBUNAC-MRXNPFEDSA-N 0 3 287.407 2.045 10 10 CECEHN CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1[O-] ZINC000164047215 639343408 /nfs/dbraw/zinc/34/34/08/639343408.db2.gz RNFJORJYOINICP-DZGCQCFKSA-N 0 3 278.396 2.154 10 10 CECEHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCS1 ZINC000171606460 367577545 /nfs/dbraw/zinc/57/75/45/367577545.db2.gz RAKQFHNCULYSNI-VIFPVBQESA-N 0 3 267.350 2.058 10 10 CECEHN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114913 262041954 /nfs/dbraw/zinc/04/19/54/262041954.db2.gz MRLUALLZLQWTKW-JSGCOSHPSA-N 0 3 296.386 2.029 10 10 CECEHN C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114913 262041955 /nfs/dbraw/zinc/04/19/55/262041955.db2.gz MRLUALLZLQWTKW-JSGCOSHPSA-N 0 3 296.386 2.029 10 10 CECEHN COCCNCc1ccc(N(C)CC(F)(F)F)cc1 ZINC000062736387 523951488 /nfs/dbraw/zinc/95/14/88/523951488.db2.gz PHWNXWZDIMKOSI-UHFFFAOYSA-N 0 3 276.302 2.421 10 10 CECEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C)C1 ZINC000022152238 171359578 /nfs/dbraw/zinc/35/95/78/171359578.db2.gz HPDDKNGBKNUYGX-NEPJUHHUSA-N 0 3 261.369 2.328 10 10 CECEHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047273 174056939 /nfs/dbraw/zinc/05/69/39/174056939.db2.gz NORQHIQQVBWVBM-NEPJUHHUSA-N 0 3 297.420 2.273 10 10 CECEHN [O-]c1cc(O)ccc1C[NH2+]CCc1ccc(O)cc1 ZINC000040735507 174389298 /nfs/dbraw/zinc/38/92/98/174389298.db2.gz CLVKFPDOBRUKSU-UHFFFAOYSA-N 0 3 259.305 2.136 10 10 CECEHN COCCNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000062734302 523951232 /nfs/dbraw/zinc/95/12/32/523951232.db2.gz IEAWJORUANMUQH-OKILXGFUSA-N 0 3 278.396 2.036 10 10 CECEHN NCC[C@@H]([NH3+])c1ccc(Cl)c(Br)c1[O-] ZINC000306562432 344714650 /nfs/dbraw/zinc/71/46/50/344714650.db2.gz CLGIXXRTAPUZNQ-SSDOTTSWSA-N 0 3 279.565 2.157 10 10 CECEHN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] ZINC000575408847 366279970 /nfs/dbraw/zinc/27/99/70/366279970.db2.gz ATBIIHLCSYTMAC-ZDUSSCGKSA-O 0 3 290.343 2.207 10 10 CECEHN Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cn1 ZINC000180074517 368366356 /nfs/dbraw/zinc/36/63/56/368366356.db2.gz ZZSFYUKCMPLGCP-AWEZNQCLSA-N 0 3 257.337 2.463 10 10 CECEHN Cn1cc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cn1 ZINC000180074517 368366360 /nfs/dbraw/zinc/36/63/60/368366360.db2.gz ZZSFYUKCMPLGCP-AWEZNQCLSA-N 0 3 257.337 2.463 10 10 CECEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000184935636 262034004 /nfs/dbraw/zinc/03/40/04/262034004.db2.gz GBBBFYQWBDABFX-KGLIPLIRSA-N 0 3 278.396 2.072 10 10 CECEHN CCN(CCOC)c1c(F)cc(CNC)cc1F ZINC000062712634 521136964 /nfs/dbraw/zinc/13/69/64/521136964.db2.gz HFRCTOWRCBAOJE-UHFFFAOYSA-N 0 3 258.312 2.157 10 10 CECEHN CNCc1cc(F)c(N2CCSCC2)c(F)c1 ZINC000062709910 522114720 /nfs/dbraw/zinc/11/47/20/522114720.db2.gz FHSRCSVVHUSYEF-UHFFFAOYSA-N 0 3 258.337 2.237 10 10 CECEHN CCN(CC)CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000083399571 363771814 /nfs/dbraw/zinc/77/18/14/363771814.db2.gz VGLIFTREBFRLQD-UHFFFAOYSA-N 0 3 254.349 2.353 10 10 CECEHN CC[NH+](CC)CCCNCc1cccc(F)c1[O-] ZINC000083399571 363771818 /nfs/dbraw/zinc/77/18/18/363771818.db2.gz VGLIFTREBFRLQD-UHFFFAOYSA-N 0 3 254.349 2.353 10 10 CECEHN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(O)cc1[O-])N(C)C ZINC000020145666 171030920 /nfs/dbraw/zinc/03/09/20/171030920.db2.gz NGFNHDBLRXJKSS-RISCZKNCSA-N 0 3 266.385 2.335 10 10 CECEHN CCNC(=O)[C@@H](C)N(Cc1ccc(N)cc1)C(C)C ZINC000035365434 172155119 /nfs/dbraw/zinc/15/51/19/172155119.db2.gz YCNYSDMAOILIDU-GFCCVEGCSA-N 0 3 263.385 2.004 10 10 CECEHN CCCN([C@@H](C)c1ccc(O)cc1[O-])[C@H]1CC[NH2+]C1 ZINC000071314535 176121051 /nfs/dbraw/zinc/12/10/51/176121051.db2.gz VHHPOCWGQFQNRX-RYUDHWBXSA-N 0 3 264.369 2.233 10 10 CECEHN COc1c(Cl)cc(N2CCNCC2)cc1Cl ZINC000002556735 274090193 /nfs/dbraw/zinc/09/01/93/274090193.db2.gz AJOOWSQLZCGHIH-UHFFFAOYSA-N 0 3 261.152 2.412 10 10 CECEHN Cc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000180330881 368376967 /nfs/dbraw/zinc/37/69/67/368376967.db2.gz SAXZFNLPJCTAGA-CYBMUJFWSA-N 0 3 271.364 2.424 10 10 CECEHN Cc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000180330881 368376971 /nfs/dbraw/zinc/37/69/71/368376971.db2.gz SAXZFNLPJCTAGA-CYBMUJFWSA-N 0 3 271.364 2.424 10 10 CECEHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1[O-] ZINC000282277049 375445040 /nfs/dbraw/zinc/44/50/40/375445040.db2.gz KURXHHAYYKWFCS-WXHSDQCUSA-N 0 3 262.353 2.100 10 10 CECEHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(O)ccc1[O-] ZINC000020207043 171071565 /nfs/dbraw/zinc/07/15/65/171071565.db2.gz PTFBXFHQKVXRSK-BHDSKKPTSA-N 0 3 251.326 2.316 10 10 CECEHN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000038044103 174051732 /nfs/dbraw/zinc/05/17/32/174051732.db2.gz RZSCIBSXHDNFSM-MNOVXSKESA-N 0 3 251.326 2.175 10 10 CECEHN C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(O)ccc1[O-] ZINC000038095564 174109631 /nfs/dbraw/zinc/10/96/31/174109631.db2.gz KFHFDBSTGCQIFR-CMPLNLGQSA-N 0 3 251.326 2.318 10 10 CECEHN CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000156503331 261124633 /nfs/dbraw/zinc/12/46/33/261124633.db2.gz RNFGHVHLNJOKRA-YPMHNXCESA-N 0 3 272.352 2.039 10 10 CECEHN C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1[NH+](C)C ZINC000251779995 524608618 /nfs/dbraw/zinc/60/86/18/524608618.db2.gz MXCLDDVNWYAWDK-GXFFZTMASA-N 0 3 268.788 2.428 10 10 CECEHN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1N(C)C ZINC000251779995 524608626 /nfs/dbraw/zinc/60/86/26/524608626.db2.gz MXCLDDVNWYAWDK-GXFFZTMASA-N 0 3 268.788 2.428 10 10 CECEHN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1N(C)C ZINC000251779995 524608630 /nfs/dbraw/zinc/60/86/30/524608630.db2.gz MXCLDDVNWYAWDK-GXFFZTMASA-N 0 3 268.788 2.428 10 10 CECEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128514034 525346920 /nfs/dbraw/zinc/34/69/20/525346920.db2.gz ZINRDKMGUVKGCR-ZDUSSCGKSA-N 0 3 271.364 2.424 10 10 CECEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128514034 525346927 /nfs/dbraw/zinc/34/69/27/525346927.db2.gz ZINRDKMGUVKGCR-ZDUSSCGKSA-N 0 3 271.364 2.424 10 10 CECEHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])N(C)C ZINC000020145663 171030637 /nfs/dbraw/zinc/03/06/37/171030637.db2.gz NGFNHDBLRXJKSS-SMDDNHRTSA-N 0 3 266.385 2.335 10 10 CECEHN Nc1ccc(NC(=O)CCCN2CCSCC2)cc1 ZINC000020256915 171111737 /nfs/dbraw/zinc/11/17/37/171111737.db2.gz QPHQPAILTMHULK-UHFFFAOYSA-N 0 3 279.409 2.036 10 10 CECEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047274 174056484 /nfs/dbraw/zinc/05/64/84/174056484.db2.gz NORQHIQQVBWVBM-RYUDHWBXSA-N 0 3 297.420 2.273 10 10 CECEHN C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(O)ccc1[O-] ZINC000038095563 174109333 /nfs/dbraw/zinc/10/93/33/174109333.db2.gz KFHFDBSTGCQIFR-PWSUYJOCSA-N 0 3 251.326 2.318 10 10 CECEHN COc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1[O-] ZINC000037167102 260072012 /nfs/dbraw/zinc/07/20/12/260072012.db2.gz KERCFGGGLRVXAL-CQSZACIVSA-N 0 3 280.412 2.467 10 10 CECEHN CNCc1ccc(N2CCC2)cc1Br ZINC000306896988 344718207 /nfs/dbraw/zinc/71/82/07/344718207.db2.gz RLIFXJZRBSEKMO-UHFFFAOYSA-N 0 3 255.159 2.379 10 10 CECEHN CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565818 395194705 /nfs/dbraw/zinc/19/47/05/395194705.db2.gz OFONAKKJSHJINI-AWEZNQCLSA-N 0 3 276.380 2.273 10 10 CECEHN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565818 395194713 /nfs/dbraw/zinc/19/47/13/395194713.db2.gz OFONAKKJSHJINI-AWEZNQCLSA-N 0 3 276.380 2.273 10 10 CECEHN C[C@H](CS(C)(=O)=O)[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000078640357 260168313 /nfs/dbraw/zinc/16/83/13/260168313.db2.gz RFLKNWROLYYTSR-LLVKDONJSA-N 0 3 293.388 2.068 10 10 CECEHN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114942 262042117 /nfs/dbraw/zinc/04/21/17/262042117.db2.gz MRLUALLZLQWTKW-GXTWGEPZSA-N 0 3 296.386 2.029 10 10 CECEHN C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114942 262042118 /nfs/dbraw/zinc/04/21/18/262042118.db2.gz MRLUALLZLQWTKW-GXTWGEPZSA-N 0 3 296.386 2.029 10 10 CECEHN C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000227373372 639588551 /nfs/dbraw/zinc/58/85/51/639588551.db2.gz AVBDKZFCCMYSHI-ZMLRMANQSA-N 0 3 253.317 2.485 10 10 CECEHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] ZINC000575408874 366279499 /nfs/dbraw/zinc/27/94/99/366279499.db2.gz KGNIDZBKAJQZEP-FZMZJTMJSA-O 0 3 290.343 2.207 10 10 CECEHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1[O-] ZINC000156020170 366825541 /nfs/dbraw/zinc/82/55/41/366825541.db2.gz AZNYDRIUHHBFDL-CYBMUJFWSA-N 0 3 278.396 2.174 10 10 CECEHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1[O-] ZINC000156020170 366825549 /nfs/dbraw/zinc/82/55/49/366825549.db2.gz AZNYDRIUHHBFDL-CYBMUJFWSA-N 0 3 278.396 2.174 10 10 CECEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493227 368382777 /nfs/dbraw/zinc/38/27/77/368382777.db2.gz RJQXSRVKIDXEJD-SJORKVTESA-N 0 3 291.439 2.124 10 10 CECEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493244 368383458 /nfs/dbraw/zinc/38/34/58/368383458.db2.gz RJQXSRVKIDXEJD-IAGOWNOFSA-N 0 3 291.439 2.124 10 10 CECEHN C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(O)cc1[O-] ZINC000020129032 171015921 /nfs/dbraw/zinc/01/59/21/171015921.db2.gz QDPTVAKMUXWJOC-GFCCVEGCSA-N 0 3 264.369 2.234 10 10 CECEHN CN(C)C[C@H](NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129291 171017175 /nfs/dbraw/zinc/01/71/75/171017175.db2.gz COVKLNAKCDGHOY-HNNXBMFYSA-N 0 3 286.375 2.490 10 10 CECEHN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(O)ccc1[O-] ZINC000038043932 174051513 /nfs/dbraw/zinc/05/15/13/174051513.db2.gz RAOPGNCPOCJAMT-QWRGUYRKSA-N 0 3 251.326 2.175 10 10 CECEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000184935616 262033945 /nfs/dbraw/zinc/03/39/45/262033945.db2.gz GBBBFYQWBDABFX-ZIAGYGMSSA-N 0 3 278.396 2.072 10 10 CECEHN CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1[O-] ZINC000164046941 639344248 /nfs/dbraw/zinc/34/42/48/639344248.db2.gz RNFJORJYOINICP-HIFRSBDPSA-N 0 3 278.396 2.154 10 10 CECEHN C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 ZINC000083433802 135020958 /nfs/dbraw/zinc/02/09/58/135020958.db2.gz CTRITCGEWTZDMI-VIFPVBQESA-N 0 3 260.259 2.383 10 10 CECEHN C=C(C=C1CCCN1C)C1SC(=S)N(C)C1=O ZINC000038644971 174150654 /nfs/dbraw/zinc/15/06/54/174150654.db2.gz IYSUEATZWRPJFI-XOHWUJONSA-N 0 3 268.407 2.360 10 10 CECEHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114958 262042073 /nfs/dbraw/zinc/04/20/73/262042073.db2.gz MRLUALLZLQWTKW-TZMCWYRMSA-N 0 3 296.386 2.029 10 10 CECEHN C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000185114958 262042074 /nfs/dbraw/zinc/04/20/74/262042074.db2.gz MRLUALLZLQWTKW-TZMCWYRMSA-N 0 3 296.386 2.029 10 10 CECEHN COCCN1CCN(Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000247159986 371072320 /nfs/dbraw/zinc/07/23/20/371072320.db2.gz QNLDUWRHMMSMNW-HNNXBMFYSA-N 0 3 292.423 2.162 10 10 CECEHN CN(C)C[C@@H](NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129290 171016920 /nfs/dbraw/zinc/01/69/20/171016920.db2.gz COVKLNAKCDGHOY-OAHLLOKOSA-N 0 3 286.375 2.490 10 10 CECEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](C)C1 ZINC000022152243 171359542 /nfs/dbraw/zinc/35/95/42/171359542.db2.gz HPDDKNGBKNUYGX-RYUDHWBXSA-N 0 3 261.369 2.328 10 10 CECEHN COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c([O-])c1 ZINC000038088244 174101802 /nfs/dbraw/zinc/10/18/02/174101802.db2.gz NHIKLYBFBYQTKQ-GHMZBOCLSA-N 0 3 252.358 2.002 10 10 CECEHN C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000038095490 174109725 /nfs/dbraw/zinc/10/97/25/174109725.db2.gz SGQFLOHHGKHFSS-CMPLNLGQSA-N 0 3 251.326 2.318 10 10 CECEHN CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000251632822 334365841 /nfs/dbraw/zinc/36/58/41/334365841.db2.gz FNBFNELIEOAQIE-ZUZCIYMTSA-N 0 3 294.370 2.116 10 10 CECEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223044 641951483 /nfs/dbraw/zinc/95/14/83/641951483.db2.gz RGWAYYJPYNBPAT-CQSZACIVSA-N 0 3 257.337 2.253 10 10 CECEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223044 641951487 /nfs/dbraw/zinc/95/14/87/641951487.db2.gz RGWAYYJPYNBPAT-CQSZACIVSA-N 0 3 257.337 2.253 10 10 CECEHN