smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C)C3)c2c1 ZINC000015525135 372087035 /nfs/dbraw/zinc/08/70/35/372087035.db2.gz WMNOUYIZZSANIQ-GFCCVEGCSA-N 1 1 287.359 2.775 50 10 CFCAMO COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccccn2)c1O ZINC000065395139 373864341 /nfs/dbraw/zinc/86/43/41/373864341.db2.gz IFAIRVLRBVVQPL-ZDUSSCGKSA-N 1 1 286.375 2.859 50 10 CFCAMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000009883809 170388848 /nfs/dbraw/zinc/38/88/48/170388848.db2.gz HCJBVCMCCSPLBC-UHFFFAOYSA-N 1 1 263.337 2.885 50 10 CFCAMO Oc1cc2c(cc1C[N@H+]1CCc3sccc3C1)OCO2 ZINC000014138206 372060449 /nfs/dbraw/zinc/06/04/49/372060449.db2.gz NKEGMOIQQOKVDM-UHFFFAOYSA-N 1 1 289.356 2.741 50 10 CFCAMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](C)C3)c2c1 ZINC000015525133 372086404 /nfs/dbraw/zinc/08/64/04/372086404.db2.gz WMNOUYIZZSANIQ-LBPRGKRZSA-N 1 1 287.359 2.775 50 10 CFCAMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000024528576 372275770 /nfs/dbraw/zinc/27/57/70/372275770.db2.gz XCFVTDQVGWUIRB-LLVKDONJSA-N 1 1 279.380 2.616 50 10 CFCAMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000024528576 372275775 /nfs/dbraw/zinc/27/57/75/372275775.db2.gz XCFVTDQVGWUIRB-LLVKDONJSA-N 1 1 279.380 2.616 50 10 CFCAMO OCC[N@@H+](Cc1cccs1)Cc1cc(F)ccc1O ZINC000067755912 373999081 /nfs/dbraw/zinc/99/90/81/373999081.db2.gz QOSWDUCNQLYNFO-UHFFFAOYSA-N 1 1 281.352 2.587 50 10 CFCAMO CCOC(=O)c1ccc(O)c(C[NH2+]Cc2ccccc2)c1 ZINC000409444240 380959370 /nfs/dbraw/zinc/95/93/70/380959370.db2.gz ZHQOMMUQQXOJIK-UHFFFAOYSA-N 1 1 285.343 2.859 50 10 CFCAMO C[N@@H+](Cc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000007077620 170266659 /nfs/dbraw/zinc/26/66/59/170266659.db2.gz VXONBYWXAYSOBM-UHFFFAOYSA-N 1 1 289.306 2.892 50 10 CFCAMO Cc1ncc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000040555913 174330983 /nfs/dbraw/zinc/33/09/83/174330983.db2.gz SLHBLUFCIKPGGI-UHFFFAOYSA-N 1 1 292.360 2.518 50 10 CFCAMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000000212976 371559746 /nfs/dbraw/zinc/55/97/46/371559746.db2.gz MGHZLJPJHULQJJ-SFHVURJKSA-N 1 1 284.403 2.918 50 10 CFCAMO COc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1O ZINC000065395604 373864493 /nfs/dbraw/zinc/86/44/93/373864493.db2.gz QHXAMCKDUCXVJX-UHFFFAOYSA-N 1 1 276.336 2.638 50 10 CFCAMO CCc1cc(C[N@H+](C)Cc2cccc(OC)c2O)on1 ZINC000065417380 373869197 /nfs/dbraw/zinc/86/91/97/373869197.db2.gz RRWYJNUXMWSWRV-UHFFFAOYSA-N 1 1 276.336 2.583 50 10 CFCAMO CCc1cc(C[N@@H+](C)Cc2cccc(OC)c2O)on1 ZINC000065417380 373869203 /nfs/dbraw/zinc/86/92/03/373869203.db2.gz RRWYJNUXMWSWRV-UHFFFAOYSA-N 1 1 276.336 2.583 50 10 CFCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000195573507 382769956 /nfs/dbraw/zinc/76/99/56/382769956.db2.gz BTUGQNWEUWAWGA-KRWDZBQOSA-N 1 1 284.407 2.614 50 10 CFCAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC000067678096 175783231 /nfs/dbraw/zinc/78/32/31/175783231.db2.gz ORPBOCPNBAONHJ-LBPRGKRZSA-N 1 1 292.423 2.646 50 10 CFCAMO COc1ccc(N2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000000753461 371647002 /nfs/dbraw/zinc/64/70/02/371647002.db2.gz SXYKBZWSOABUBE-UHFFFAOYSA-N 1 1 286.375 2.919 50 10 CFCAMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1C ZINC000036395766 372578488 /nfs/dbraw/zinc/57/84/88/372578488.db2.gz AHUZVAIBSMZQHC-UHFFFAOYSA-N 1 1 298.386 2.740 50 10 CFCAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cc(F)ccc2O)C1 ZINC000067675245 373989100 /nfs/dbraw/zinc/98/91/00/373989100.db2.gz TYRCIRMMSGPGEF-GFCCVEGCSA-N 1 1 278.371 2.590 50 10 CFCAMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644181 375281137 /nfs/dbraw/zinc/28/11/37/375281137.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 1 1 276.424 2.924 50 10 CFCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](O)C3)c2c1 ZINC000007012047 170262405 /nfs/dbraw/zinc/26/24/05/170262405.db2.gz FZUKLFWELVZTAO-CYBMUJFWSA-N 1 1 287.359 2.511 50 10 CFCAMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000000212988 371558493 /nfs/dbraw/zinc/55/84/93/371558493.db2.gz MGHZLJPJHULQJJ-GOSISDBHSA-N 1 1 284.403 2.918 50 10 CFCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1O)CC2 ZINC000023281577 372256746 /nfs/dbraw/zinc/25/67/46/372256746.db2.gz MMIOHRVRVCOZTM-UHFFFAOYSA-N 1 1 299.370 2.968 50 10 CFCAMO Cc1c(O)c(C[NH+](C)C)cc2c3c(c(=O)oc12)CCCC3 ZINC000011867467 291582122 /nfs/dbraw/zinc/58/21/22/291582122.db2.gz OPEZLKSXGURQFU-UHFFFAOYSA-N 1 1 287.359 2.747 50 10 CFCAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2cc(F)ccc2O)C1 ZINC000067675246 373989681 /nfs/dbraw/zinc/98/96/81/373989681.db2.gz TYRCIRMMSGPGEF-LBPRGKRZSA-N 1 1 278.371 2.590 50 10 CFCAMO NC(=S)NNc1c2ccccc2[nH+]c2ccccc21 ZINC000004855136 170031010 /nfs/dbraw/zinc/03/10/10/170031010.db2.gz HHYXHHPLUJAGMS-UHFFFAOYSA-N 1 1 268.345 2.548 50 10 CFCAMO Cc1cc(=O)oc2c(C)c(O)c(C[NH+]3CCCC3)cc12 ZINC000009049075 170361906 /nfs/dbraw/zinc/36/19/06/170361906.db2.gz SRCPGSMEOHRIPN-UHFFFAOYSA-N 1 1 273.332 2.711 50 10 CFCAMO C[N@@H+](CC(=O)N1CCCC1)Cc1c(O)ccc2ccccc21 ZINC000032906692 372473553 /nfs/dbraw/zinc/47/35/53/372473553.db2.gz REGRZBKCSQZMGE-UHFFFAOYSA-N 1 1 298.386 2.600 50 10 CFCAMO CCCc1cc(=O)oc2c(C)c(O)c(C[NH+](C)C)cc12 ZINC000004387897 371855906 /nfs/dbraw/zinc/85/59/06/371855906.db2.gz LVEPJIUWSRLCTE-UHFFFAOYSA-N 1 1 275.348 2.821 50 10 CFCAMO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000024528579 372276614 /nfs/dbraw/zinc/27/66/14/372276614.db2.gz XCFVTDQVGWUIRB-NSHDSACASA-N 1 1 279.380 2.616 50 10 CFCAMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000024528579 372276618 /nfs/dbraw/zinc/27/66/18/372276618.db2.gz XCFVTDQVGWUIRB-NSHDSACASA-N 1 1 279.380 2.616 50 10 CFCAMO C[N@@H+](CCOc1ccccc1)Cc1ccc(N)cc1 ZINC000043458262 175050558 /nfs/dbraw/zinc/05/05/58/175050558.db2.gz SRWKAPLMXXGYPA-UHFFFAOYSA-N 1 1 256.349 2.780 50 10 CFCAMO CN1CCC([N@@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC000023281731 618359236 /nfs/dbraw/zinc/35/92/36/618359236.db2.gz CJQDFRPOAMYCKL-UHFFFAOYSA-N 1 1 268.788 2.572 50 10 CFCAMO CC(C)(C(=O)c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000096027162 347700257 /nfs/dbraw/zinc/70/02/57/347700257.db2.gz DQJCAZOCXPHMBQ-UHFFFAOYSA-N 1 1 263.337 2.545 50 10 CFCAMO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1F ZINC000010217228 371902815 /nfs/dbraw/zinc/90/28/15/371902815.db2.gz FWPHRIISXZKUNM-UHFFFAOYSA-N 1 1 289.306 2.892 50 10 CFCAMO C[N@@H+](CCOc1ccccc1)Cc1ccc(O)c(O)c1 ZINC000067696463 373995121 /nfs/dbraw/zinc/99/51/21/373995121.db2.gz JRMDTEWBANWHHL-UHFFFAOYSA-N 1 1 273.332 2.609 50 10 CFCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000089983558 374982247 /nfs/dbraw/zinc/98/22/47/374982247.db2.gz PQSUZUHWZAFUED-CQSZACIVSA-N 1 1 291.391 2.784 50 10 CFCAMO COc1cccc(CNc2[nH+]c3ccccc3n2C)c1O ZINC000000111513 169539774 /nfs/dbraw/zinc/53/97/74/169539774.db2.gz WTTWIHLYQAPEJS-UHFFFAOYSA-N 1 1 283.331 2.900 50 10 CFCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](O)C3)c2c1 ZINC000007012044 170262230 /nfs/dbraw/zinc/26/22/30/170262230.db2.gz FZUKLFWELVZTAO-ZDUSSCGKSA-N 1 1 287.359 2.511 50 10 CFCAMO CCN(CC)c1cc(Nc2ccc(N)cc2)[nH+]c(C)n1 ZINC000206579680 539787682 /nfs/dbraw/zinc/78/76/82/539787682.db2.gz CCJZLCDWWCTSJP-UHFFFAOYSA-N 1 1 271.368 2.957 50 10 CFCAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC000067678097 373991783 /nfs/dbraw/zinc/99/17/83/373991783.db2.gz ORPBOCPNBAONHJ-GFCCVEGCSA-N 1 1 292.423 2.646 50 10 CFCAMO COc1ccc(C[NH2+][C@H](C)c2nnc3ccccn32)cc1C ZINC000024828940 372281183 /nfs/dbraw/zinc/28/11/83/372281183.db2.gz RKJBZNFDJCBCBJ-CYBMUJFWSA-N 1 1 296.374 2.897 50 10 CFCAMO OC1CCN(c2ccc(C[N@@H+]3CCC=C(F)C3)cc2)CC1 ZINC000583651817 383091507 /nfs/dbraw/zinc/09/15/07/383091507.db2.gz UBBMPWNZOYBTQO-UHFFFAOYSA-N 1 1 290.382 2.707 50 10 CFCAMO OC1CCN(c2ccc(C[N@H+]3CCC=C(F)C3)cc2)CC1 ZINC000583651817 383091512 /nfs/dbraw/zinc/09/15/12/383091512.db2.gz UBBMPWNZOYBTQO-UHFFFAOYSA-N 1 1 290.382 2.707 50 10 CFCAMO C[N@H+]1CCc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000004475345 371857018 /nfs/dbraw/zinc/85/70/18/371857018.db2.gz LIHCKGZEDBNUJG-OAHLLOKOSA-N 1 1 269.344 2.718 50 10 in-vitro CFCAMO Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019279052 372154841 /nfs/dbraw/zinc/15/48/41/372154841.db2.gz NQGOTIAYUKPHTA-UHFFFAOYSA-N 1 1 281.403 2.587 50 10 CFCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000089983560 374981411 /nfs/dbraw/zinc/98/14/11/374981411.db2.gz PQSUZUHWZAFUED-AWEZNQCLSA-N 1 1 291.391 2.784 50 10 CFCAMO CN1CCCc2cc([C@H](CN)[NH+]3CCCCC3)ccc21 ZINC000034936237 277087778 /nfs/dbraw/zinc/08/77/78/277087778.db2.gz UXIXWMYPKBHCIF-KRWDZBQOSA-N 1 1 273.424 2.555 50 10 CFCAMO COc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000071930736 346923134 /nfs/dbraw/zinc/92/31/34/346923134.db2.gz PUYMGBLZJCJMNM-UHFFFAOYSA-N 1 1 298.386 2.723 50 10 CFCAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC000067675995 373991301 /nfs/dbraw/zinc/99/13/01/373991301.db2.gz QNQFLFZRHIJOGC-LBPRGKRZSA-N 1 1 292.423 2.598 50 10 CFCAMO CCN1C(=O)/C(=C\C=C2/CCC[N@H+]2CC)SC1=S ZINC000031332101 276152521 /nfs/dbraw/zinc/15/25/21/276152521.db2.gz KKACEFKPAJPBRW-AMMQDNIMSA-N 1 1 282.434 2.750 50 10 CFCAMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000023282255 618358250 /nfs/dbraw/zinc/35/82/50/618358250.db2.gz OLOARAINLSJXOR-FUTAKVPZSA-N 1 1 274.408 2.613 50 10 CFCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000000757302 371649101 /nfs/dbraw/zinc/64/91/01/371649101.db2.gz ZHBKSQVEVGBEPO-INIZCTEOSA-N 1 1 276.424 2.737 50 10 CFCAMO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCN1C ZINC000067884991 374012658 /nfs/dbraw/zinc/01/26/58/374012658.db2.gz BBTCAQFPANWOHS-ZDUSSCGKSA-N 1 1 276.424 2.826 50 10 CFCAMO C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[N@@H+]1C ZINC000067884991 374012666 /nfs/dbraw/zinc/01/26/66/374012666.db2.gz BBTCAQFPANWOHS-ZDUSSCGKSA-N 1 1 276.424 2.826 50 10 CFCAMO C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[N@H+]1C ZINC000067884991 374012673 /nfs/dbraw/zinc/01/26/73/374012673.db2.gz BBTCAQFPANWOHS-ZDUSSCGKSA-N 1 1 276.424 2.826 50 10 CFCAMO CCOCC[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801439 374286483 /nfs/dbraw/zinc/28/64/83/374286483.db2.gz VSXFVPQZKQNXHM-UHFFFAOYSA-N 1 1 292.423 2.632 50 10 CFCAMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000089326542 374896297 /nfs/dbraw/zinc/89/62/97/374896297.db2.gz ZTNXZAMSVCTVJS-UHFFFAOYSA-N 1 1 255.365 2.780 50 10 CFCAMO COC(=O)CNc1c2ccccc2[nH+]c2ccccc21 ZINC000004371733 169963126 /nfs/dbraw/zinc/96/31/26/169963126.db2.gz SPYOPVUVBPZJQG-UHFFFAOYSA-N 1 1 266.300 2.973 50 10 CFCAMO COc1ccc(C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000000757265 651113817 /nfs/dbraw/zinc/11/38/17/651113817.db2.gz PWUJXGZZFRFQIZ-UHFFFAOYSA-N 1 1 269.344 2.959 50 10 CFCAMO Cc1nc[nH]c1CSCCNc1nc(C)[nH+]c(C)c1C ZINC000091914865 180286315 /nfs/dbraw/zinc/28/63/15/180286315.db2.gz PURJAQZTBPTILZ-UHFFFAOYSA-N 1 1 291.424 2.779 50 10 CFCAMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000009073 371507600 /nfs/dbraw/zinc/50/76/00/371507600.db2.gz VMWNQDUVQKEIOC-CYBMUJFWSA-N 1 1 267.328 2.850 50 10 biogenic,fda CFCAMO CCN(CC)c1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000019633005 372179066 /nfs/dbraw/zinc/17/90/66/372179066.db2.gz JQIFAVDIUNKICQ-UHFFFAOYSA-N 1 1 275.440 2.670 50 10 CFCAMO CC(C)[NH+]1CCC(NCc2ccc(N(C)C)cc2)CC1 ZINC000020188925 171055058 /nfs/dbraw/zinc/05/50/58/171055058.db2.gz QAFBBMRATMCNCF-UHFFFAOYSA-N 1 1 275.440 2.715 50 10 CFCAMO CC(C)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000020188925 171055060 /nfs/dbraw/zinc/05/50/60/171055060.db2.gz QAFBBMRATMCNCF-UHFFFAOYSA-N 1 1 275.440 2.715 50 10 CFCAMO CN(C)CC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000019360903 372156910 /nfs/dbraw/zinc/15/69/10/372156910.db2.gz ZDKASHDKXYAXHK-UHFFFAOYSA-N 1 1 284.403 2.956 50 10 CFCAMO CN(C)CC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000019360903 372156917 /nfs/dbraw/zinc/15/69/17/372156917.db2.gz ZDKASHDKXYAXHK-UHFFFAOYSA-N 1 1 284.403 2.956 50 10 CFCAMO CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000027537822 372343283 /nfs/dbraw/zinc/34/32/83/372343283.db2.gz ITEKRGHJHCTCAE-ZDUSSCGKSA-N 1 1 272.348 2.551 50 10 CFCAMO Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000004244028 371843899 /nfs/dbraw/zinc/84/38/99/371843899.db2.gz LLJIWNOWJDHUON-UHFFFAOYSA-N 1 1 285.366 2.730 50 10 CFCAMO C[N@@H+]1Cc2sccc2[C@@H](c2ccc(O)c(O)c2)C1 ZINC000025758422 372306685 /nfs/dbraw/zinc/30/66/85/372306685.db2.gz SYHALWYYSDMSLE-LLVKDONJSA-N 1 1 261.346 2.737 50 10 CFCAMO Cc1cc(C[NH+]2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000058584259 280479727 /nfs/dbraw/zinc/47/97/27/280479727.db2.gz UKKOIGCKOWRKMP-UHFFFAOYSA-N 1 1 263.381 2.830 50 10 CFCAMO CCN(CC)CC[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000022027367 617941302 /nfs/dbraw/zinc/94/13/02/617941302.db2.gz CJIZZPMPFZIMFF-UHFFFAOYSA-N 1 1 277.456 2.916 50 10 CFCAMO CCN(CC)CC[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000022027367 617941305 /nfs/dbraw/zinc/94/13/05/617941305.db2.gz CJIZZPMPFZIMFF-UHFFFAOYSA-N 1 1 277.456 2.916 50 10 CFCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000000238155 371564014 /nfs/dbraw/zinc/56/40/14/371564014.db2.gz YMLXGPHEORTYAX-OAHLLOKOSA-N 1 1 290.407 2.528 50 10 CFCAMO C[N@H+]1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002526572 371733231 /nfs/dbraw/zinc/73/32/31/371733231.db2.gz LIHCKGZEDBNUJG-HNNXBMFYSA-N 1 1 269.344 2.718 50 10 in-vitro CFCAMO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000070975744 374209139 /nfs/dbraw/zinc/20/91/39/374209139.db2.gz SHOPHCCEUGBMHS-UHFFFAOYSA-N 1 1 297.358 2.921 50 10 CFCAMO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000070975744 374209146 /nfs/dbraw/zinc/20/91/46/374209146.db2.gz SHOPHCCEUGBMHS-UHFFFAOYSA-N 1 1 297.358 2.921 50 10 CFCAMO Cc1cc(C(C)(C)C)cc(C[NH+]2CCOCC2)c1O ZINC000089587295 374924788 /nfs/dbraw/zinc/92/47/88/374924788.db2.gz DLWPAHUAPHLXOH-UHFFFAOYSA-N 1 1 263.381 2.830 50 10 CFCAMO CN1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022586702 617684371 /nfs/dbraw/zinc/68/43/71/617684371.db2.gz DHPRFKMRBJIMQT-UHFFFAOYSA-N 1 1 270.376 2.683 50 10 CFCAMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000083843977 540185712 /nfs/dbraw/zinc/18/57/12/540185712.db2.gz QXKJICSVMCESGK-MRXNPFEDSA-N 1 1 298.386 2.598 50 10 CFCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000000757300 371649216 /nfs/dbraw/zinc/64/92/16/371649216.db2.gz ZHBKSQVEVGBEPO-MRXNPFEDSA-N 1 1 276.424 2.737 50 10 CFCAMO CCN(CC)c1ccc(CNCCC[NH+](C)C)cc1 ZINC000002518424 371731269 /nfs/dbraw/zinc/73/12/69/371731269.db2.gz LLMYSLRVMKGGSF-UHFFFAOYSA-N 1 1 263.429 2.574 50 10 CFCAMO CCN(CC)c1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000002518424 371731273 /nfs/dbraw/zinc/73/12/73/371731273.db2.gz LLMYSLRVMKGGSF-UHFFFAOYSA-N 1 1 263.429 2.574 50 10 CFCAMO CC[NH+](CC)CCCNCc1ccc2c(c1)CCCN2C ZINC000032919809 372476814 /nfs/dbraw/zinc/47/68/14/372476814.db2.gz XGGRJYIPNHRVSM-UHFFFAOYSA-N 1 1 289.467 2.891 50 10 CFCAMO CC[N@H+](Cc1cccc(OC)c1O)CC1CCOCC1 ZINC000065408335 373868487 /nfs/dbraw/zinc/86/84/87/373868487.db2.gz ULULNBKIMJRNPT-UHFFFAOYSA-N 1 1 279.380 2.649 50 10 CFCAMO COc1cccc(C[N@H+]2CCc3ccccc3C2)c1O ZINC000004988098 170049349 /nfs/dbraw/zinc/04/93/49/170049349.db2.gz PDTWQCNZTZEEIZ-UHFFFAOYSA-N 1 1 269.344 2.959 50 10 CFCAMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000007141555 170268695 /nfs/dbraw/zinc/26/86/95/170268695.db2.gz RPGNHNFUKIVXSB-UHFFFAOYSA-N 1 1 289.306 2.892 50 10 CFCAMO CN1CCc2cc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)ccc21 ZINC000170603121 348056025 /nfs/dbraw/zinc/05/60/25/348056025.db2.gz HAFKJWYOXHROQD-QGZVFWFLSA-N 1 1 296.418 2.540 50 10 CFCAMO CC[NH+](CC)CN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000024716542 372280003 /nfs/dbraw/zinc/28/00/03/372280003.db2.gz IYZQBWUNCLJLME-FLIBITNWSA-N 1 1 296.417 2.780 50 10 CFCAMO COc1ccc(N2CC[N@@H+](CCCSC)[C@H](C)C2)cc1 ZINC000072168302 374234627 /nfs/dbraw/zinc/23/46/27/374234627.db2.gz FZHPKJRDDJMVEO-CQSZACIVSA-N 1 1 294.464 2.959 50 10 CFCAMO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](O)C1 ZINC000007011661 170262368 /nfs/dbraw/zinc/26/23/68/170262368.db2.gz VILKJYVGSKHXON-ZDUSSCGKSA-N 1 1 257.333 2.502 50 10 CFCAMO CCC[N@@H+](Cc1ccncc1)Cc1ccc(O)c(O)c1 ZINC000067817262 175794470 /nfs/dbraw/zinc/79/44/70/175794470.db2.gz HOPQBFYIGUNSRY-UHFFFAOYSA-N 1 1 272.348 2.905 50 10 CFCAMO Cc1c(O)c(C[NH+]2CCCC2)cc2c3c(c(=O)oc12)CCC3 ZINC000005186484 280250468 /nfs/dbraw/zinc/25/04/68/280250468.db2.gz XMBQSPVJSOOUBI-UHFFFAOYSA-N 1 1 299.370 2.892 50 10 CFCAMO CN(C)c1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000000211438 371559777 /nfs/dbraw/zinc/55/97/77/371559777.db2.gz RNIBTSWDTQXXAX-UHFFFAOYSA-N 1 1 269.392 2.822 50 10 CFCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000000238150 371565189 /nfs/dbraw/zinc/56/51/89/371565189.db2.gz YMLXGPHEORTYAX-HNNXBMFYSA-N 1 1 290.407 2.528 50 10 CFCAMO Cn1c[nH+]c2cc(NCc3ccccc3O)ccc21 ZINC000000351764 371592270 /nfs/dbraw/zinc/59/22/70/371592270.db2.gz UHNRFTCYJGXBEY-UHFFFAOYSA-N 1 1 253.305 2.891 50 10 CFCAMO C[N@@H+](Cc1cc(F)ccc1O)CC1(CO)CCCC1 ZINC000067921788 374014748 /nfs/dbraw/zinc/01/47/48/374014748.db2.gz AMAHPQWIXFBKMD-UHFFFAOYSA-N 1 1 267.344 2.516 50 10 CFCAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC000067675996 373992618 /nfs/dbraw/zinc/99/26/18/373992618.db2.gz QNQFLFZRHIJOGC-GFCCVEGCSA-N 1 1 292.423 2.598 50 10 CFCAMO CN1CCCc2cc([C@@H](CN)[NH+]3CCCCC3)ccc21 ZINC000034936236 372518468 /nfs/dbraw/zinc/51/84/68/372518468.db2.gz UXIXWMYPKBHCIF-QGZVFWFLSA-N 1 1 273.424 2.555 50 10 CFCAMO Cc1ccc(O)c(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000097229199 375542459 /nfs/dbraw/zinc/54/24/59/375542459.db2.gz JPJULZIVTANKCE-UHFFFAOYSA-N 1 1 274.408 2.665 50 10 CFCAMO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000007011662 170262242 /nfs/dbraw/zinc/26/22/42/170262242.db2.gz VILKJYVGSKHXON-CYBMUJFWSA-N 1 1 257.333 2.502 50 10 CFCAMO Cc1nc(N2CCCC2)cc(Nc2ccc(N)cc2)[nH+]1 ZINC000206579739 539787522 /nfs/dbraw/zinc/78/75/22/539787522.db2.gz PGHINDNKQBUJCJ-UHFFFAOYSA-N 1 1 269.352 2.711 50 10 CFCAMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000023282256 618358689 /nfs/dbraw/zinc/35/86/89/618358689.db2.gz OLOARAINLSJXOR-RTRPANQVSA-N 1 1 274.408 2.613 50 10 CFCAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000195573506 382769972 /nfs/dbraw/zinc/76/99/72/382769972.db2.gz BTUGQNWEUWAWGA-QGZVFWFLSA-N 1 1 284.407 2.614 50 10 CFCAMO CC[N@@H+](CCN(C)C)Cc1cc(-c2cccnc2)ccc1O ZINC000020211353 171074836 /nfs/dbraw/zinc/07/48/36/171074836.db2.gz HLWFSGULZMJZKN-UHFFFAOYSA-N 1 1 299.418 2.838 50 10 CFCAMO CCN(CC[NH+](C)C)Cc1cc(-c2cccnc2)ccc1O ZINC000020211353 171074840 /nfs/dbraw/zinc/07/48/40/171074840.db2.gz HLWFSGULZMJZKN-UHFFFAOYSA-N 1 1 299.418 2.838 50 10 CFCAMO COc1cccc(C[N@@H+](C)[C@H](C)c2ccncc2)c1O ZINC000065384257 373862197 /nfs/dbraw/zinc/86/21/97/373862197.db2.gz JSBWVDDTUJCSMP-GFCCVEGCSA-N 1 1 272.348 2.989 50 10 CFCAMO C[N@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000000155525 393448403 /nfs/dbraw/zinc/44/84/03/393448403.db2.gz VMWNQDUVQKEIOC-ZDUSSCGKSA-N 1 1 267.328 2.850 50 10 in-man CFCAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000083843975 540185685 /nfs/dbraw/zinc/18/56/85/540185685.db2.gz QXKJICSVMCESGK-INIZCTEOSA-N 1 1 298.386 2.598 50 10 CFCAMO COc1cccc(C[N@@H+](C)Cc2ccc(C)o2)c1O ZINC000065381145 373861764 /nfs/dbraw/zinc/86/17/64/373861764.db2.gz QTDWLZPAVJLCBX-UHFFFAOYSA-N 1 1 261.321 2.934 50 10 CFCAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000065384255 373862235 /nfs/dbraw/zinc/86/22/35/373862235.db2.gz JSBWVDDTUJCSMP-LBPRGKRZSA-N 1 1 272.348 2.989 50 10 CFCAMO Oc1cc2c(cc1C[N@H+]1CCc3ccccc3C1)OCO2 ZINC000005066513 170063175 /nfs/dbraw/zinc/06/31/75/170063175.db2.gz YCUHIRYZHUOVFM-UHFFFAOYSA-N 1 1 283.327 2.679 50 10 CFCAMO CCOC(=O)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000096026537 347700294 /nfs/dbraw/zinc/70/02/94/347700294.db2.gz VATATSVECGIHGQ-UHFFFAOYSA-N 1 1 263.337 2.555 50 10 CFCAMO CC[NH+](CC)CN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000013398550 372026836 /nfs/dbraw/zinc/02/68/36/372026836.db2.gz IYZQBWUNCLJLME-DHZHZOJOSA-N 1 1 296.417 2.780 50 10 CFCAMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccccn2)c1O ZINC000065395140 373863792 /nfs/dbraw/zinc/86/37/92/373863792.db2.gz IFAIRVLRBVVQPL-CYBMUJFWSA-N 1 1 286.375 2.859 50 10 CFCAMO Oc1ccc(F)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000067787094 374002100 /nfs/dbraw/zinc/00/21/00/374002100.db2.gz BUGVITLONHPSEV-UHFFFAOYSA-N 1 1 292.398 2.982 50 10 CFCAMO CN1CCc2cc(C[N@H+]3CCC[C@H]3Cn3ccnc3)ccc21 ZINC000240569389 382982474 /nfs/dbraw/zinc/98/24/74/382982474.db2.gz HAFKJWYOXHROQD-KRWDZBQOSA-N 1 1 296.418 2.540 50 10 CFCAMO C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[N@@H+]1C ZINC000067884988 393634121 /nfs/dbraw/zinc/63/41/21/393634121.db2.gz BBTCAQFPANWOHS-CYBMUJFWSA-N 1 1 276.424 2.826 50 10 CFCAMO C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[N@H+]1C ZINC000067884988 393634125 /nfs/dbraw/zinc/63/41/25/393634125.db2.gz BBTCAQFPANWOHS-CYBMUJFWSA-N 1 1 276.424 2.826 50 10 CFCAMO Oc1ccc2oc3c(c2c1C[NH+]1CCOCC1)CCCC3 ZINC000032855934 275061477 /nfs/dbraw/zinc/06/14/77/275061477.db2.gz WGQRQNIGMSPTJH-UHFFFAOYSA-N 1 1 287.359 2.849 50 10 CFCAMO C[N@@H+]1Cc2sccc2[C@H](c2ccc(O)c(O)c2)C1 ZINC000025758418 283256632 /nfs/dbraw/zinc/25/66/32/283256632.db2.gz SYHALWYYSDMSLE-NSHDSACASA-N 1 1 261.346 2.737 50 10 CFCAMO COc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000003684363 371815489 /nfs/dbraw/zinc/81/54/89/371815489.db2.gz CJYLDIZZZGTGOE-UHFFFAOYSA-N 1 1 272.348 2.610 50 10 CFCAMO CC[NH2+]CCCNCc1ccc(N(CC)CC)cc1 ZINC000013735187 372046350 /nfs/dbraw/zinc/04/63/50/372046350.db2.gz XEWUCEAXFFIIDO-UHFFFAOYSA-N 1 1 263.429 2.622 50 10 CFCAMO COc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1C ZINC000024828937 372281218 /nfs/dbraw/zinc/28/12/18/372281218.db2.gz RKJBZNFDJCBCBJ-ZDUSSCGKSA-N 1 1 296.374 2.897 50 10 CFCAMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000027537821 372343895 /nfs/dbraw/zinc/34/38/95/372343895.db2.gz ITEKRGHJHCTCAE-CYBMUJFWSA-N 1 1 272.348 2.551 50 10 CFCAMO COc1ccc(N2CC[N@@H+](CCCSC)[C@@H](C)C2)cc1 ZINC000072168303 374234545 /nfs/dbraw/zinc/23/45/45/374234545.db2.gz FZHPKJRDDJMVEO-AWEZNQCLSA-N 1 1 294.464 2.959 50 10 CFCAMO COc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1O ZINC000000423349 371611700 /nfs/dbraw/zinc/61/17/00/371611700.db2.gz VBLHIZDTCQTLLS-UHFFFAOYSA-N 1 1 283.331 2.900 50 10 CFCAMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644182 375280567 /nfs/dbraw/zinc/28/05/67/375280567.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 1 1 276.424 2.924 50 10 CFCAMO