smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCO1 ZINC000709021842 809939774 /nfs/dbraw/zinc/93/97/74/809939774.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N 0 2 253.317 2.388 20 10 CECDLN CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCO1 ZINC000709021842 809939779 /nfs/dbraw/zinc/93/97/79/809939779.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N 0 2 253.317 2.388 20 10 CECDLN CC(C)[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000709021842 809939780 /nfs/dbraw/zinc/93/97/80/809939780.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N 0 2 253.317 2.388 20 10 CECDLN C[C@@H]1CN(Cc2c(O)cc(F)cc2F)C[C@@H](C)O1 ZINC001140579651 816289197 /nfs/dbraw/zinc/28/91/97/816289197.db2.gz BMDYGCMIWCXSEY-RKDXNWHRSA-N 0 2 257.280 2.280 20 10 CECDLN Oc1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912425 /nfs/dbraw/zinc/91/24/25/373912425.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 0 2 290.382 2.447 20 10 CECDLN Oc1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912432 /nfs/dbraw/zinc/91/24/32/373912432.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 0 2 290.382 2.447 20 10 CECDLN CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000529666975 380183412 /nfs/dbraw/zinc/18/34/12/380183412.db2.gz PPUIMNOSXXPKIO-LBPRGKRZSA-N 0 2 285.771 2.283 20 10 CECDLN CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000529666975 380183416 /nfs/dbraw/zinc/18/34/16/380183416.db2.gz PPUIMNOSXXPKIO-LBPRGKRZSA-N 0 2 285.771 2.283 20 10 CECDLN O=C([O-])C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000821511841 598181498 /nfs/dbraw/zinc/18/14/98/598181498.db2.gz RTBHWKPFXKGXFO-UHFFFAOYSA-N 0 2 287.718 2.481 20 10 CECDLN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C(=O)[O-] ZINC000833629707 605247517 /nfs/dbraw/zinc/24/75/17/605247517.db2.gz LOOUTVMDJPUMCX-GMSGAONNSA-N 0 2 287.718 2.337 20 10 CECDLN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C(=O)[O-] ZINC000833629707 605247519 /nfs/dbraw/zinc/24/75/19/605247519.db2.gz LOOUTVMDJPUMCX-GMSGAONNSA-N 0 2 287.718 2.337 20 10 CECDLN C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902467032 634684999 /nfs/dbraw/zinc/68/49/99/634684999.db2.gz KNXOWKRSVVRPNC-LOHPEHISSA-N 0 2 250.317 2.075 20 10 CECDLN O=C([O-])[C@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000840995784 639610832 /nfs/dbraw/zinc/61/08/32/639610832.db2.gz XBVLUJRJQDWTLV-SECBINFHSA-N 0 2 273.691 2.234 20 10 CECDLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000840995784 639610833 /nfs/dbraw/zinc/61/08/33/639610833.db2.gz XBVLUJRJQDWTLV-SECBINFHSA-N 0 2 273.691 2.234 20 10 CECDLN COC(=O)[C@@H](NCc1ccc(F)c(F)c1O)C(C)(C)C ZINC000877169808 650608255 /nfs/dbraw/zinc/60/82/55/650608255.db2.gz GYIFRSHLVSZBFT-GFCCVEGCSA-N 0 2 287.306 2.348 20 10 CECDLN CC(C)n1cnnc1CN(C)Cc1ccc(F)c(F)c1O ZINC000877547706 650781112 /nfs/dbraw/zinc/78/11/12/650781112.db2.gz HJTFHOBRAXPXAS-UHFFFAOYSA-N 0 2 296.321 2.475 20 10 CECDLN COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854224668 644016116 /nfs/dbraw/zinc/01/61/16/644016116.db2.gz YGFONYLAEHLYDJ-NSHDSACASA-N 0 2 292.379 2.101 20 10 CECDLN CC1(C)COCCN1Cc1c(O)cc(F)cc1F ZINC001140583445 816292485 /nfs/dbraw/zinc/29/24/85/816292485.db2.gz HBFOXAJFXMKXBD-UHFFFAOYSA-N 0 2 257.280 2.281 20 10 CECDLN C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(F)c2O)CCN1C(=O)[O-] ZINC000833827362 605638502 /nfs/dbraw/zinc/63/85/02/605638502.db2.gz LAJRRXOZKHQWPU-NXEZZACHSA-N 0 2 282.315 2.104 20 10 CECDLN C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(F)c2O)CCN1C(=O)[O-] ZINC000833827362 605638507 /nfs/dbraw/zinc/63/85/07/605638507.db2.gz LAJRRXOZKHQWPU-NXEZZACHSA-N 0 2 282.315 2.104 20 10 CECDLN C[C@@H]1[C@H](C)[N@H+](Cc2cccc(F)c2O)CCN1C(=O)[O-] ZINC000833827367 605638669 /nfs/dbraw/zinc/63/86/69/605638669.db2.gz LAJRRXOZKHQWPU-VHSXEESVSA-N 0 2 282.315 2.104 20 10 CECDLN C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2O)CCN1C(=O)[O-] ZINC000833827367 605638672 /nfs/dbraw/zinc/63/86/72/605638672.db2.gz LAJRRXOZKHQWPU-VHSXEESVSA-N 0 2 282.315 2.104 20 10 CECDLN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc(F)c1O ZINC000817948928 633795165 /nfs/dbraw/zinc/79/51/65/633795165.db2.gz FLVNHHVVQQNSLP-KOLCDFICSA-N 0 2 270.323 2.463 20 10 CECDLN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 ZINC000877864255 650932607 /nfs/dbraw/zinc/93/26/07/650932607.db2.gz OKXGDNKOWCSAGZ-AWEZNQCLSA-N 0 2 299.286 2.463 20 10 CECDLN O=C([O-])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000874044324 649740400 /nfs/dbraw/zinc/74/04/00/649740400.db2.gz ACYCUNYWZFDXGH-JTQLQIEISA-N 0 2 269.728 2.342 20 10 CECDLN O=C([O-])[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000874044324 649740402 /nfs/dbraw/zinc/74/04/02/649740402.db2.gz ACYCUNYWZFDXGH-JTQLQIEISA-N 0 2 269.728 2.342 20 10 CECDLN Cc1ncc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139685206 816081400 /nfs/dbraw/zinc/08/14/00/816081400.db2.gz AWMZJOIWGZGGOJ-UHFFFAOYSA-N 0 2 279.290 2.401 20 10 CECDLN Cc1ncc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139685206 816081408 /nfs/dbraw/zinc/08/14/08/816081408.db2.gz AWMZJOIWGZGGOJ-UHFFFAOYSA-N 0 2 279.290 2.401 20 10 CECDLN Oc1c(F)ccc(F)c1CN1CC(Oc2cccnc2)C1 ZINC001139683352 816082011 /nfs/dbraw/zinc/08/20/11/816082011.db2.gz LTXZTXCUUYYCDI-UHFFFAOYSA-N 0 2 292.285 2.329 20 10 CECDLN O=C1CCCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140581477 816291605 /nfs/dbraw/zinc/29/16/05/816291605.db2.gz SWFOFMYXVOMLGG-UHFFFAOYSA-N 0 2 255.264 2.225 20 10 CECDLN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c(O)cc(F)cc1F ZINC001140581736 816292116 /nfs/dbraw/zinc/29/21/16/816292116.db2.gz YRLGEEJJMPHLCC-BJOHPYRUSA-N 0 2 297.301 2.198 20 10 CECDLN Cc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)c(O)c1O ZINC000273567458 373764081 /nfs/dbraw/zinc/76/40/81/373764081.db2.gz HOACPKLXPSKPQF-UHFFFAOYSA-N 0 2 288.307 2.044 20 10 CECDLN CCN1CC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000189891342 285182437 /nfs/dbraw/zinc/18/24/37/285182437.db2.gz KJYACZZWXLZBQD-LLVKDONJSA-N 0 2 275.135 2.149 20 10 CECDLN CCC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000284299290 520925000 /nfs/dbraw/zinc/92/50/00/520925000.db2.gz RNCRZQSMZDBNFU-CYBMUJFWSA-N 0 2 282.296 2.033 20 10 CECDLN CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC1=S ZINC000748358313 575184659 /nfs/dbraw/zinc/18/46/59/575184659.db2.gz UDHMCRDESHLXCO-UITAMQMPSA-N 0 2 296.329 2.131 20 10 CECDLN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)[O-] ZINC000158742025 598193272 /nfs/dbraw/zinc/19/32/72/598193272.db2.gz JKVRTUDTRREZNZ-JTQLQIEISA-N 0 2 257.717 2.244 20 10 CECDLN Cc1nnc([C@H](C)NCc2c(O)ccc(Cl)c2F)[nH]1 ZINC000894774452 629628917 /nfs/dbraw/zinc/62/89/17/629628917.db2.gz SMPZZLKXGUZBQV-LURJTMIESA-N 0 2 284.722 2.462 20 10 CECDLN CCn1cnc2c1CCN(Cc1ccc(F)c(F)c1O)C2 ZINC000897333806 631133492 /nfs/dbraw/zinc/13/34/92/631133492.db2.gz QHFNWPQCIRADBG-UHFFFAOYSA-N 0 2 293.317 2.445 20 10 CECDLN O=S(=O)(Nc1ccc(O)cc1)c1cnn(C2CCC2)c1 ZINC000901815922 634303879 /nfs/dbraw/zinc/30/38/79/634303879.db2.gz RGCAWLMLSMBTDY-UHFFFAOYSA-N 0 2 293.348 2.115 20 10 CECDLN CCCCN(Cc1ccccc1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000908044310 637222011 /nfs/dbraw/zinc/22/20/11/637222011.db2.gz ANLQMWOSVHSUGI-UHFFFAOYSA-N 0 2 287.363 2.487 20 10 CECDLN C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(F)cc(F)c1[O-] ZINC000756395851 644643579 /nfs/dbraw/zinc/64/35/79/644643579.db2.gz ZRQMKRNZELWUTK-QMMMGPOBSA-N 0 2 294.305 2.059 20 10 CECDLN CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1c(O)cccc1F ZINC001137838898 815694375 /nfs/dbraw/zinc/69/43/75/815694375.db2.gz MEERLONKGVDFAF-FZMZJTMJSA-N 0 2 264.344 2.057 20 10 CECDLN Cn1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000092851613 330414445 /nfs/dbraw/zinc/41/44/45/330414445.db2.gz DRRRCWPUEZWCSX-UHFFFAOYSA-N 0 2 287.150 2.117 20 10 CECDLN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000821509834 605229785 /nfs/dbraw/zinc/22/97/85/605229785.db2.gz XXJIJKBEWUCKNW-SNVBAGLBSA-N 0 2 273.691 2.234 20 10 CECDLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000821509834 605229787 /nfs/dbraw/zinc/22/97/87/605229787.db2.gz XXJIJKBEWUCKNW-SNVBAGLBSA-N 0 2 273.691 2.234 20 10 CECDLN C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902469828 634685636 /nfs/dbraw/zinc/68/56/36/634685636.db2.gz RKVCOPRSLPMYJL-LOHPEHISSA-N 0 2 250.317 2.075 20 10 CECDLN COc1ccc(O)c([C@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC000810348337 632208684 /nfs/dbraw/zinc/20/86/84/632208684.db2.gz UEFOLGRKHXLAIE-QUBYGPBYSA-N 0 2 295.232 2.478 20 10 CECDLN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000810348337 632208695 /nfs/dbraw/zinc/20/86/95/632208695.db2.gz UEFOLGRKHXLAIE-QUBYGPBYSA-N 0 2 295.232 2.478 20 10 CECDLN CC(C)OC(=O)C(C)(C)NCc1ccc(F)c(F)c1O ZINC000898506920 632521849 /nfs/dbraw/zinc/52/18/49/632521849.db2.gz YQMYKPSKBVLPEX-UHFFFAOYSA-N 0 2 287.306 2.490 20 10 CECDLN CCn1cnnc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756420354 644647849 /nfs/dbraw/zinc/64/78/49/644647849.db2.gz JIQPVSGRXIOTMY-MRVPVSSYSA-N 0 2 282.294 2.133 20 10 CECDLN COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000839661145 644767342 /nfs/dbraw/zinc/76/73/42/644767342.db2.gz SSVYTLHKTVKJDF-JTQLQIEISA-N 0 2 280.324 2.348 20 10 CECDLN COc1c(O)c(C[N@H+](C)Cc2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000774908413 646908154 /nfs/dbraw/zinc/90/81/54/646908154.db2.gz HGHBKTCGUMOXJB-UHFFFAOYSA-N 0 2 291.307 2.269 20 10 CECDLN COc1c(O)c(CN(C)Cc2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000774908413 646908159 /nfs/dbraw/zinc/90/81/59/646908159.db2.gz HGHBKTCGUMOXJB-UHFFFAOYSA-N 0 2 291.307 2.269 20 10 CECDLN O=C1CCCN(Cc2c(F)ccc(F)c2O)C[C@H]1F ZINC001139685806 816082442 /nfs/dbraw/zinc/08/24/42/816082442.db2.gz XVADGUVPBVYGQY-LLVKDONJSA-N 0 2 273.254 2.173 20 10 CECDLN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001139687633 816084659 /nfs/dbraw/zinc/08/46/59/816084659.db2.gz PRIDOBBOAKAWTJ-CYBMUJFWSA-N 0 2 269.291 2.281 20 10 CECDLN [O-]c1c(F)ccc(F)c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001139687633 816084667 /nfs/dbraw/zinc/08/46/67/816084667.db2.gz PRIDOBBOAKAWTJ-CYBMUJFWSA-N 0 2 269.291 2.281 20 10 CECDLN O=C(NCc1ccccc1O)c1c(O)cc(F)cc1F ZINC000748345322 629490796 /nfs/dbraw/zinc/49/07/96/629490796.db2.gz AANRQLBVQUTZDZ-UHFFFAOYSA-N 0 2 279.242 2.306 20 10 CECDLN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](F)C2)c1[O-] ZINC000824571946 635453655 /nfs/dbraw/zinc/45/36/55/635453655.db2.gz SMQHNQWIAHRGOD-VIFPVBQESA-N 0 2 274.679 2.498 20 10 CECDLN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](F)C2)c1[O-] ZINC000824571946 635453660 /nfs/dbraw/zinc/45/36/60/635453660.db2.gz SMQHNQWIAHRGOD-VIFPVBQESA-N 0 2 274.679 2.498 20 10 CECDLN Oc1c(CN2CCOCC23CC3)ccc(F)c1F ZINC000877504455 650754536 /nfs/dbraw/zinc/75/45/36/650754536.db2.gz LKBGQTSCCDWMNV-UHFFFAOYSA-N 0 2 255.264 2.035 20 10 CECDLN Oc1cc(F)cc(F)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001140582061 803178229 /nfs/dbraw/zinc/17/82/29/803178229.db2.gz AXVVYMOGCIWVRS-AOOOYVTPSA-N 0 2 255.264 2.034 20 10 CECDLN C[C@H](CCCC(=O)[O-])[NH2+]Cc1cc(F)cc(F)c1O ZINC001119610644 815138923 /nfs/dbraw/zinc/13/89/23/815138923.db2.gz BPEANIBXMRSBRN-MRVPVSSYSA-N 0 2 273.279 2.403 20 10 CECDLN C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000702613513 809571266 /nfs/dbraw/zinc/57/12/66/809571266.db2.gz XIVCEAMLDXTSNO-GASCZTMLSA-N 0 2 280.799 2.477 20 10 CECDLN C[C@@H]1CN(Cc2c(F)ccc(F)c2O)[C@H](C)CO1 ZINC001139686386 816084277 /nfs/dbraw/zinc/08/42/77/816084277.db2.gz XDYZUSHZRAQQLQ-RKDXNWHRSA-N 0 2 257.280 2.280 20 10 CECDLN C[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H](C)CO1 ZINC001139686386 816084287 /nfs/dbraw/zinc/08/42/87/816084287.db2.gz XDYZUSHZRAQQLQ-RKDXNWHRSA-N 0 2 257.280 2.280 20 10 CECDLN C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@H](C)CO1 ZINC001139686386 816084294 /nfs/dbraw/zinc/08/42/94/816084294.db2.gz XDYZUSHZRAQQLQ-RKDXNWHRSA-N 0 2 257.280 2.280 20 10 CECDLN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c(F)ccc(F)c1O ZINC001139688811 816085695 /nfs/dbraw/zinc/08/56/95/816085695.db2.gz BMZLLFKBXBKTAW-ZDMBXUJBSA-N 0 2 297.301 2.196 20 10 CECDLN C[C@@H]1[C@@H](C)N(Cc2ccc(F)c(F)c2O)[C@@H](C)C(=O)N1C ZINC000895921805 630403577 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814727191 /nfs/dbraw/zinc/72/71/91/814727191.db2.gz BTOADAVQOHSWPP-UHFFFAOYSA-N 0 2 277.274 2.019 20 10 CECDLN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2ncncc2C1 ZINC001139682762 814727199 /nfs/dbraw/zinc/72/71/99/814727199.db2.gz BTOADAVQOHSWPP-UHFFFAOYSA-N 0 2 277.274 2.019 20 10 CECDLN O=C1CCN(Cc2c(F)ccc(F)c2O)CC[C@@H]1F ZINC001139683308 814731026 /nfs/dbraw/zinc/73/10/26/814731026.db2.gz CPWUJUXOBUNUQM-JTQLQIEISA-N 0 2 273.254 2.173 20 10 CECDLN C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C ZINC000158060475 327623410 /nfs/dbraw/zinc/62/34/10/327623410.db2.gz HZGUGEGPOQZYOT-VIFPVBQESA-N 0 2 296.323 2.120 20 10 CECDLN CCc1cc(O)ccc1NS(=O)(=O)c1c(C)noc1C ZINC000189434237 523829392 /nfs/dbraw/zinc/82/93/92/523829392.db2.gz LWVFZOJVNRUUDT-UHFFFAOYSA-N 0 2 296.348 2.360 20 10 CECDLN O=C([O-])CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000821525888 598193143 /nfs/dbraw/zinc/19/31/43/598193143.db2.gz HLWIJUCEZCUCOY-UHFFFAOYSA-N 0 2 261.680 2.139 20 10 CECDLN O=C([O-])NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000834190945 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636466207 /nfs/dbraw/zinc/46/62/07/636466207.db2.gz ZUAYFNSHOLAGKI-MUWHJKNJSA-N 0 2 265.206 2.470 20 10 CECDLN CN1C(=O)c2ccccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1O ZINC000061742779 639723314 /nfs/dbraw/zinc/72/33/14/639723314.db2.gz UKCNODYQYNHGMN-AWEZNQCLSA-N 0 2 299.286 2.497 20 10 CECDLN Oc1c(CN2CCO[C@H](CCF)C2)ccc(F)c1F ZINC000703492959 809653085 /nfs/dbraw/zinc/65/30/85/809653085.db2.gz XIIJZUZTWYTTTQ-SNVBAGLBSA-N 0 2 275.270 2.231 20 10 CECDLN C[NH2+]C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000383930576 813110134 /nfs/dbraw/zinc/11/01/34/813110134.db2.gz BSFVIJBBEGDUBC-UHFFFAOYSA-N 0 2 254.761 2.229 20 10 CECDLN Oc1c(F)ccc(F)c1CN1CC2(C1)CCCCO2 ZINC001139681151 816080179 /nfs/dbraw/zinc/08/01/79/816080179.db2.gz JNTLILPEUWIPSW-UHFFFAOYSA-N 0 2 269.291 2.425 20 10 CECDLN Oc1cc(F)cc(F)c1CN1CCCC12COC2 ZINC001140583620 816292575 /nfs/dbraw/zinc/29/25/75/816292575.db2.gz OFEUGFNZETYXPD-UHFFFAOYSA-N 0 2 255.264 2.035 20 10 CECDLN C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180230735 368373089 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ZINC000871204834 649031670 /nfs/dbraw/zinc/03/16/70/649031670.db2.gz PQLYXLKTLOHOCG-SECBINFHSA-N 0 2 263.190 2.135 20 10 CECDLN Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708480834 809928961 /nfs/dbraw/zinc/92/89/61/809928961.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 0 2 282.334 2.387 20 10 CECDLN Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000708480834 809928965 /nfs/dbraw/zinc/92/89/65/809928965.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 0 2 282.334 2.387 20 10 CECDLN CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138129466 815734380 /nfs/dbraw/zinc/73/43/80/815734380.db2.gz FEDDLTYPCDDDJC-ZDUSSCGKSA-N 0 2 251.301 2.475 20 10 CECDLN CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138129466 815734384 /nfs/dbraw/zinc/73/43/84/815734384.db2.gz FEDDLTYPCDDDJC-ZDUSSCGKSA-N 0 2 251.301 2.475 20 10 CECDLN C[C@H]1CN(Cc2c(O)cc(F)cc2F)C[C@H](C)O1 ZINC001140579650 816289005 /nfs/dbraw/zinc/28/90/05/816289005.db2.gz BMDYGCMIWCXSEY-IUCAKERBSA-N 0 2 257.280 2.280 20 10 CECDLN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000376494299 374709108 /nfs/dbraw/zinc/70/91/08/374709108.db2.gz DQCNTNKWYWSZMI-PHIMTYICSA-N 0 2 298.726 2.317 20 10 CECDLN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000376494299 374709112 /nfs/dbraw/zinc/70/91/12/374709112.db2.gz DQCNTNKWYWSZMI-PHIMTYICSA-N 0 2 298.726 2.317 20 10 CECDLN CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1ccc(F)cc1O ZINC000286035334 375847974 /nfs/dbraw/zinc/84/79/74/375847974.db2.gz JLIPEEBQLGDOJL-GFCCVEGCSA-N 0 2 278.331 2.241 20 10 CECDLN O=C([O-])C[N@H+](Cc1ccno1)Cc1cc(Cl)ccc1O ZINC000739799513 574933346 /nfs/dbraw/zinc/93/33/46/574933346.db2.gz SKYUEVKLOJZAIE-UHFFFAOYSA-N 0 2 296.710 2.120 20 10 CECDLN O=C([O-])C[N@@H+](Cc1ccno1)Cc1cc(Cl)ccc1O ZINC000739799513 574933348 /nfs/dbraw/zinc/93/33/48/574933348.db2.gz SKYUEVKLOJZAIE-UHFFFAOYSA-N 0 2 296.710 2.120 20 10 CECDLN CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)NC(=O)[O-] ZINC000833792202 606008866 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ZINC000378542083 329054377 /nfs/dbraw/zinc/05/43/77/329054377.db2.gz TWNYGSGNMMHXJN-UHFFFAOYSA-N 0 2 299.161 2.347 20 10 CECDLN C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902469829 634686729 /nfs/dbraw/zinc/68/67/29/634686729.db2.gz RKVCOPRSLPMYJL-MWKLQFHZSA-N 0 2 250.317 2.075 20 10 CECDLN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)[O-] ZINC000843040263 640247898 /nfs/dbraw/zinc/24/78/98/640247898.db2.gz TUULXCGFYWHZPT-VIFPVBQESA-N 0 2 261.680 2.138 20 10 CECDLN CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1ccc(F)cc1O ZINC000850514173 642737430 /nfs/dbraw/zinc/73/74/30/642737430.db2.gz CXKOVEIWOBTSOF-NSHDSACASA-N 0 2 294.330 2.037 20 10 CECDLN CCN(C[C@@H](C)CS(C)(=O)=O)c1ccc(OC)cc1 ZINC000757831958 644850053 /nfs/dbraw/zinc/85/00/53/644850053.db2.gz VFAKCTFAEQGWKK-GFCCVEGCSA-N 0 2 285.409 2.202 20 10 CECDLN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000833554507 605246576 /nfs/dbraw/zinc/24/65/76/605246576.db2.gz VTVJNSHCOACXML-CYBMUJFWSA-N 0 2 287.718 2.481 20 10 CECDLN 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