smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1nnc(N[C@H](C)Cc2[nH+]cccc2C)o1 ZINC000095353342 521568452 /nfs/dbraw/zinc/56/84/52/521568452.db2.gz FIVYIOAMQMVKLR-LLVKDONJSA-N 1 2 260.341 2.769 50 0 CFAALO Cc1cccc2c(C)cc(N3CCC(C(N)=O)CC3)[nH+]c12 ZINC000007004365 570391726 /nfs/dbraw/zinc/39/17/26/570391726.db2.gz RMPQDAAKBUMHEW-UHFFFAOYSA-N 1 2 283.375 2.553 50 0 CFAALO c1nc(C2CC2)oc1C[NH2+][C@@H]1COc2ccccc21 ZINC000834904872 619096733 /nfs/dbraw/zinc/09/67/33/619096733.db2.gz SJUXFQZYRWSCAU-CYBMUJFWSA-N 1 2 256.305 2.775 50 0 CFAALO N#Cc1ccccc1C[N@@H+]1Cc2ccccc2[C@@H](O)C1 ZINC000091745356 650907361 /nfs/dbraw/zinc/90/73/61/650907361.db2.gz HVICWZVVLHNESS-KRWDZBQOSA-N 1 2 264.328 2.607 50 0 CFAALO N#Cc1ccccc1C[N@H+]1Cc2ccccc2[C@@H](O)C1 ZINC000091745356 650907365 /nfs/dbraw/zinc/90/73/65/650907365.db2.gz HVICWZVVLHNESS-KRWDZBQOSA-N 1 2 264.328 2.607 50 0 CFAALO CC(C)n1c[nH+]cc1CN(C)Cc1noc(C2CCC2)n1 ZINC000216034096 645987169 /nfs/dbraw/zinc/98/71/69/645987169.db2.gz NEWALVGFGUYGJL-UHFFFAOYSA-N 1 2 289.383 2.747 50 0 CFAALO COc1ccc(C[C@H]2CN(c3cccc[nH+]3)CCO2)cc1 ZINC000014960045 651184977 /nfs/dbraw/zinc/18/49/77/651184977.db2.gz GIDHYZKSRJNZGX-INIZCTEOSA-N 1 2 284.359 2.538 50 0 CFAALO COC(=O)[C@@H]([NH2+]Cc1cccc2cccnc21)C(C)(C)C ZINC000096461348 230378098 /nfs/dbraw/zinc/37/80/98/230378098.db2.gz GEZMDOVJZCNTAB-OAHLLOKOSA-N 1 2 286.375 2.912 50 0 CFAALO C[C@@H]1CC[C@H](Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000096486337 230381667 /nfs/dbraw/zinc/38/16/67/230381667.db2.gz GQVFRNVWYCEOBT-YPMHNXCESA-N 1 2 266.410 2.908 50 0 CFAALO Cc1nnc(C[NH2+][C@H](C)c2cccc(F)c2F)s1 ZINC000096492440 230383078 /nfs/dbraw/zinc/38/30/78/230383078.db2.gz CHDCFRSFMUQIGH-SSDOTTSWSA-N 1 2 269.320 2.976 50 0 CFAALO Cn1ccnc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccccc1 ZINC000095965480 185045690 /nfs/dbraw/zinc/04/56/90/185045690.db2.gz UEUJBWMOQBNLGT-HNNXBMFYSA-N 1 2 283.375 2.658 50 0 CFAALO Cn1ccnc1C[N@H+]1CCC[C@H]1CC(=O)c1ccccc1 ZINC000095965480 185045691 /nfs/dbraw/zinc/04/56/91/185045691.db2.gz UEUJBWMOQBNLGT-HNNXBMFYSA-N 1 2 283.375 2.658 50 0 CFAALO COC(=O)c1occc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000095977287 185051787 /nfs/dbraw/zinc/05/17/87/185051787.db2.gz DEEHHODBYOVSBJ-NSHDSACASA-N 1 2 274.320 2.654 50 0 CFAALO COC(=O)c1occc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000095977287 185051789 /nfs/dbraw/zinc/05/17/89/185051789.db2.gz DEEHHODBYOVSBJ-NSHDSACASA-N 1 2 274.320 2.654 50 0 CFAALO Cc1c[nH+]ccc1NC(=O)NCCc1cccc(F)c1 ZINC000095981957 185054514 /nfs/dbraw/zinc/05/45/14/185054514.db2.gz LXGBGBWHPIVRPS-UHFFFAOYSA-N 1 2 273.311 2.893 50 0 CFAALO CO[C@@H](C)c1noc(C[NH2+]C(C)(C)c2cccc(F)c2)n1 ZINC000097033511 185155724 /nfs/dbraw/zinc/15/57/24/185155724.db2.gz UVQQCSHZQUEZPV-JTQLQIEISA-N 1 2 293.342 2.941 50 0 CFAALO CCn1ccnc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174185860 529568691 /nfs/dbraw/zinc/56/86/91/529568691.db2.gz ZLIVCVNDOJUBPK-UHFFFAOYSA-N 1 2 261.291 2.677 50 0 CFAALO CCc1ncnc(NCc2cn3c(cccc3C)[nH+]2)c1F ZINC000096489013 529762194 /nfs/dbraw/zinc/76/21/94/529762194.db2.gz XKSMYOVYIMZARV-UHFFFAOYSA-N 1 2 285.326 2.746 50 0 CFAALO Cc1cc([C@@H](C)[NH2+]Cc2nnc(C)o2)c(C)s1 ZINC000097373681 185591922 /nfs/dbraw/zinc/59/19/22/185591922.db2.gz LMGCHWMWHBBWCD-MRVPVSSYSA-N 1 2 251.355 2.907 50 0 CFAALO CCCC(=O)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181082 346730067 /nfs/dbraw/zinc/73/00/67/346730067.db2.gz HRNCUNNEIKGFSW-UHFFFAOYSA-N 1 2 276.380 2.889 50 0 CFAALO C[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C(C)(C)CO1 ZINC000184792487 348127673 /nfs/dbraw/zinc/12/76/73/348127673.db2.gz FETQYHJWNVBDPQ-LBPRGKRZSA-N 1 2 265.401 2.637 50 0 CFAALO C[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C(C)(C)CO1 ZINC000184792487 348127678 /nfs/dbraw/zinc/12/76/78/348127678.db2.gz FETQYHJWNVBDPQ-LBPRGKRZSA-N 1 2 265.401 2.637 50 0 CFAALO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccnn1CC ZINC000195563696 348146914 /nfs/dbraw/zinc/14/69/14/348146914.db2.gz KNJPZYDBAQGIEN-AWEZNQCLSA-N 1 2 258.369 2.671 50 0 CFAALO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccnn1CC ZINC000195563696 348146915 /nfs/dbraw/zinc/14/69/15/348146915.db2.gz KNJPZYDBAQGIEN-AWEZNQCLSA-N 1 2 258.369 2.671 50 0 CFAALO Cc1ccsc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000225524734 348178514 /nfs/dbraw/zinc/17/85/14/348178514.db2.gz RFVDJAHAPNJLAA-GFCCVEGCSA-N 1 2 289.404 2.810 50 0 CFAALO CC[C@@H](NC(=O)N1CCc2ccccc2C1)c1[nH]cc(C)[nH+]1 ZINC000584903478 348732713 /nfs/dbraw/zinc/73/27/13/348732713.db2.gz FFUQHAFPTZJRTA-OAHLLOKOSA-N 1 2 298.390 2.937 50 0 CFAALO O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)OC1CCC1 ZINC000585135151 348735539 /nfs/dbraw/zinc/73/55/39/348735539.db2.gz ZXFSGBKPFFFIAP-ZDUSSCGKSA-N 1 2 289.310 2.917 50 0 CFAALO Cc1[nH+]cnc(NCC[C@H]2COc3ccccc3O2)c1C ZINC000091574113 180197324 /nfs/dbraw/zinc/19/73/24/180197324.db2.gz VSXNSZWYIZLQAE-ZDUSSCGKSA-N 1 2 285.347 2.735 50 0 CFAALO CC(=O)Nc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000092254279 180353438 /nfs/dbraw/zinc/35/34/38/180353438.db2.gz UOTZLIVAZSLVSN-UHFFFAOYSA-N 1 2 273.336 2.573 50 0 CFAALO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000092254279 180353441 /nfs/dbraw/zinc/35/34/41/180353441.db2.gz UOTZLIVAZSLVSN-UHFFFAOYSA-N 1 2 273.336 2.573 50 0 CFAALO C[N@H+](CCOc1cccc(Cl)c1)Cc1ncc[nH]1 ZINC000109827225 186274733 /nfs/dbraw/zinc/27/47/33/186274733.db2.gz OOIIOCPZGYFTGS-UHFFFAOYSA-N 1 2 265.744 2.574 50 0 CFAALO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ncc[nH]1 ZINC000109827225 186274734 /nfs/dbraw/zinc/27/47/34/186274734.db2.gz OOIIOCPZGYFTGS-UHFFFAOYSA-N 1 2 265.744 2.574 50 0 CFAALO Cc1[nH]ncc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000155480956 188209560 /nfs/dbraw/zinc/20/95/60/188209560.db2.gz GKJSEPYEWPAHMA-AWEZNQCLSA-N 1 2 257.337 2.722 50 0 CFAALO C[N@H+](Cc1c(Cl)cncc1Cl)CC1(C)COC1 ZINC000823702942 781936441 /nfs/dbraw/zinc/93/64/41/781936441.db2.gz LITFNVBNBZAHIO-UHFFFAOYSA-N 1 2 275.179 2.857 50 0 CFAALO C[N@@H+](Cc1c(Cl)cncc1Cl)CC1(C)COC1 ZINC000823702942 781936452 /nfs/dbraw/zinc/93/64/52/781936452.db2.gz LITFNVBNBZAHIO-UHFFFAOYSA-N 1 2 275.179 2.857 50 0 CFAALO Cc1ccc2c(cc(C[N@H+](C)Cc3cc[nH]n3)n2C)c1 ZINC000823708577 781936698 /nfs/dbraw/zinc/93/66/98/781936698.db2.gz VMYHDZLHBCWEBC-UHFFFAOYSA-N 1 2 268.364 2.842 50 0 CFAALO Cc1ccc2c(cc(C[N@@H+](C)Cc3cc[nH]n3)n2C)c1 ZINC000823708577 781936709 /nfs/dbraw/zinc/93/67/09/781936709.db2.gz VMYHDZLHBCWEBC-UHFFFAOYSA-N 1 2 268.364 2.842 50 0 CFAALO COc1cccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1Cl ZINC000585094331 540937952 /nfs/dbraw/zinc/93/79/52/540937952.db2.gz KWVRNXSANDUDAR-HNNXBMFYSA-N 1 2 296.798 2.579 50 0 CFAALO COc1cccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1Cl ZINC000585094331 540937953 /nfs/dbraw/zinc/93/79/53/540937953.db2.gz KWVRNXSANDUDAR-HNNXBMFYSA-N 1 2 296.798 2.579 50 0 CFAALO Cc1nnc(C[N@H+]2CCN(c3ccccc3)C[C@@H]2C)s1 ZINC000670447586 540997867 /nfs/dbraw/zinc/99/78/67/540997867.db2.gz PHDYLFMWIUVORG-LBPRGKRZSA-N 1 2 288.420 2.557 50 0 CFAALO Cc1nnc(C[N@@H+]2CCN(c3ccccc3)C[C@@H]2C)s1 ZINC000670447586 540997869 /nfs/dbraw/zinc/99/78/69/540997869.db2.gz PHDYLFMWIUVORG-LBPRGKRZSA-N 1 2 288.420 2.557 50 0 CFAALO Cc1cc(C(N)=O)c(N2CCC3(CCCC3)C2)[nH+]c1C ZINC000670468899 541007757 /nfs/dbraw/zinc/00/77/57/541007757.db2.gz WXGBGNAFSSFEMF-UHFFFAOYSA-N 1 2 273.380 2.568 50 0 CFAALO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1F ZINC000183864921 189369510 /nfs/dbraw/zinc/36/95/10/189369510.db2.gz JDEKRMVHBIJYSH-CQSZACIVSA-N 1 2 288.370 2.994 50 0 CFAALO CCc1noc(C)c1NCc1c[nH+]c2ccccn12 ZINC000188140450 189491832 /nfs/dbraw/zinc/49/18/32/189491832.db2.gz RPZAXUFKTCKJIV-UHFFFAOYSA-N 1 2 256.309 2.805 50 0 CFAALO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512751 284186644 /nfs/dbraw/zinc/18/66/44/284186644.db2.gz RSWYINREZIUJFR-ZFWWWQNUSA-N 1 2 295.386 2.708 50 0 CFAALO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512751 284186646 /nfs/dbraw/zinc/18/66/46/284186646.db2.gz RSWYINREZIUJFR-ZFWWWQNUSA-N 1 2 295.386 2.708 50 0 CFAALO COc1cc2c(cc1OC)C[N@H+](Cc1cccnc1)CC2 ZINC000000202273 371557102 /nfs/dbraw/zinc/55/71/02/371557102.db2.gz LQLFPGRXEJWXCO-UHFFFAOYSA-N 1 2 284.359 2.657 50 0 CFAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cccnc1)CC2 ZINC000000202273 371557112 /nfs/dbraw/zinc/55/71/12/371557112.db2.gz LQLFPGRXEJWXCO-UHFFFAOYSA-N 1 2 284.359 2.657 50 0 CFAALO CC(C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000103274 371531126 /nfs/dbraw/zinc/53/11/26/371531126.db2.gz LKVKVGFFQMECQV-UHFFFAOYSA-N 1 2 253.309 2.636 50 0 CFAALO CCCC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000000139958 371540352 /nfs/dbraw/zinc/54/03/52/371540352.db2.gz WJNJUTVVJQSPEC-UHFFFAOYSA-N 1 2 264.344 2.560 50 0 CFAALO CCc1[nH+]c(C)ccc1OCc1nc2cc[nH]cc-2n1 ZINC000000272827 371575245 /nfs/dbraw/zinc/57/52/45/371575245.db2.gz JJJHDLRAZDLEFS-UHFFFAOYSA-N 1 2 268.320 2.803 50 0 CFAALO CNc1cc(-n2nc(C)cc2-c2ccccc2)nc[nH+]1 ZINC000000337844 371589392 /nfs/dbraw/zinc/58/93/92/371589392.db2.gz HKZDGMHSXKWEHQ-UHFFFAOYSA-N 1 2 265.320 2.679 50 0 CFAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000000472420 371624995 /nfs/dbraw/zinc/62/49/95/371624995.db2.gz FTGIBRSOVXQSRU-UHFFFAOYSA-N 1 2 293.374 2.783 50 0 CFAALO Cc1cc(Cn2cc[nH+]c2)c(C)cc1Cn1ccnc1 ZINC000000499734 371632010 /nfs/dbraw/zinc/63/20/10/371632010.db2.gz NYAUDKLEAIYMOH-UHFFFAOYSA-N 1 2 266.348 2.793 50 0 CFAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCC(C)C)cc1 ZINC000000544707 371638820 /nfs/dbraw/zinc/63/88/20/371638820.db2.gz LEZYJXVGFRIPMV-UHFFFAOYSA-N 1 2 297.362 2.892 50 0 CFAALO Cc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000002380354 371723246 /nfs/dbraw/zinc/72/32/46/371723246.db2.gz XFXCTRVGCSZMSL-UHFFFAOYSA-N 1 2 296.374 2.744 50 0 CFAALO Cc1cccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000002960835 371764809 /nfs/dbraw/zinc/76/48/09/371764809.db2.gz JOPJVXYVPAODPM-UHFFFAOYSA-N 1 2 279.343 2.881 50 0 CFAALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(F)c1F ZINC000003361821 371795204 /nfs/dbraw/zinc/79/52/04/371795204.db2.gz NBVPJOLVLCDACP-SECBINFHSA-N 1 2 286.297 2.917 50 0 CFAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(F)c1F ZINC000003361821 371795207 /nfs/dbraw/zinc/79/52/07/371795207.db2.gz NBVPJOLVLCDACP-SECBINFHSA-N 1 2 286.297 2.917 50 0 CFAALO Cc1ccn2cc(CNC(=O)c3cccs3)[nH+]c2c1 ZINC000004248410 371843475 /nfs/dbraw/zinc/84/34/75/371843475.db2.gz GXHDBPPIXLGEEE-UHFFFAOYSA-N 1 2 271.345 2.634 50 0 CFAALO CCOC(=O)c1oc2ccccc2c1Cn1cc[nH+]c1 ZINC000010809534 371913390 /nfs/dbraw/zinc/91/33/90/371913390.db2.gz NBRGMWVSMNAHIM-UHFFFAOYSA-N 1 2 270.288 2.854 50 0 CFAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1ccoc1C ZINC000012480338 371965477 /nfs/dbraw/zinc/96/54/77/371965477.db2.gz UKMPXNUXTGNCHG-UHFFFAOYSA-N 1 2 287.363 2.759 50 0 CFAALO OCCCNc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000012523782 371968170 /nfs/dbraw/zinc/96/81/70/371968170.db2.gz CZWLAASLPSOLIA-UHFFFAOYSA-N 1 2 281.359 2.879 50 0 CFAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000012535142 371969737 /nfs/dbraw/zinc/96/97/37/371969737.db2.gz LUJMVAJGSUSZQU-HZPDHXFCSA-N 1 2 295.386 2.982 50 0 CFAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000012535140 371970214 /nfs/dbraw/zinc/97/02/14/371970214.db2.gz LUJMVAJGSUSZQU-JKSUJKDBSA-N 1 2 295.386 2.982 50 0 CFAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000013640588 372037394 /nfs/dbraw/zinc/03/73/94/372037394.db2.gz HCTKPECQODBMBI-UHFFFAOYSA-N 1 2 284.146 2.689 50 0 CFAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000013640588 372037398 /nfs/dbraw/zinc/03/73/98/372037398.db2.gz HCTKPECQODBMBI-UHFFFAOYSA-N 1 2 284.146 2.689 50 0 CFAALO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000013057162 372012427 /nfs/dbraw/zinc/01/24/27/372012427.db2.gz LHOUJQNOFOXCJN-QWRGUYRKSA-N 1 2 282.334 2.881 50 0 CFAALO Cc1cc(C)cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000016603011 372111736 /nfs/dbraw/zinc/11/17/36/372111736.db2.gz XNWGETBPTGQCLN-UHFFFAOYSA-N 1 2 298.386 2.854 50 0 CFAALO CC[NH+]1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000016603426 372113549 /nfs/dbraw/zinc/11/35/49/372113549.db2.gz DECQGZNTQKOCKL-UHFFFAOYSA-N 1 2 292.448 2.795 50 0 CFAALO O[C@@H]1/C(=C/c2ccccc2Br)[NH+]2CCC1CC2 ZINC000015016999 372077238 /nfs/dbraw/zinc/07/72/38/372077238.db2.gz DKLUWTUOBHTLLP-XXYUJHKVSA-N 1 2 294.192 2.877 50 0 CFAALO Cn1cc[nH+]c1CN1CCO[C@H](CCCc2ccccc2)C1 ZINC000015065498 372078755 /nfs/dbraw/zinc/07/87/55/372078755.db2.gz GSDIPYZZRCFCBD-QGZVFWFLSA-N 1 2 299.418 2.644 50 0 CFAALO C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015517325 372086654 /nfs/dbraw/zinc/08/66/54/372086654.db2.gz BWUNCMIHIJKVGT-HUBLWGQQSA-N 1 2 269.348 2.706 50 0 CFAALO C[C@H](NC(=O)c1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048041 372139261 /nfs/dbraw/zinc/13/92/61/372139261.db2.gz IZVNULUDNYJWDY-ZDUSSCGKSA-N 1 2 292.342 2.758 50 0 CFAALO O=c1nc[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000018129458 372141914 /nfs/dbraw/zinc/14/19/14/372141914.db2.gz XIUNLLKWPRXLSS-UHFFFAOYSA-N 1 2 297.383 2.543 50 0 CFAALO O=c1nc[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000018129458 372141924 /nfs/dbraw/zinc/14/19/24/372141924.db2.gz XIUNLLKWPRXLSS-UHFFFAOYSA-N 1 2 297.383 2.543 50 0 CFAALO CCOC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019634112 372178896 /nfs/dbraw/zinc/17/88/96/372178896.db2.gz AJZRLDONDJGGOX-UHFFFAOYSA-N 1 2 282.771 2.614 50 0 CFAALO CCCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=[NH2+] ZINC000019939528 372211455 /nfs/dbraw/zinc/21/14/55/372211455.db2.gz JSFRVMRZIDWDPB-CQSZACIVSA-N 1 2 285.347 2.659 50 0 CFAALO Cc1cc2cc(C(=O)NCCCn3cc[nH+]c3)ccc2o1 ZINC000019789143 372188668 /nfs/dbraw/zinc/18/86/68/372188668.db2.gz ABQAAICTKZUJAJ-UHFFFAOYSA-N 1 2 283.331 2.758 50 0 CFAALO CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000024901311 372283208 /nfs/dbraw/zinc/28/32/08/372283208.db2.gz RJYBMXNTPDGKAM-UHFFFAOYSA-N 1 2 258.325 2.642 50 0 CFAALO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)o1 ZINC000030012594 372388967 /nfs/dbraw/zinc/38/89/67/372388967.db2.gz OLNHIQBDVCPALI-UHFFFAOYSA-N 1 2 299.374 2.822 50 0 CFAALO O=C(/C=C\c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000033682004 372497872 /nfs/dbraw/zinc/49/78/72/372497872.db2.gz CPFUAFNLOYAFDT-DAXSKMNVSA-N 1 2 289.766 2.756 50 0 CFAALO Cc1cc(-c2cncc(C[NH+]3CCN(C)CC3)c2)ccc1F 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/nfs/dbraw/zinc/18/15/09/373181509.db2.gz KZTGYYGTRMAXOD-UHFFFAOYSA-N 1 2 289.400 2.592 50 0 CFAALO Fc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000048435704 373183121 /nfs/dbraw/zinc/18/31/21/373183121.db2.gz IUNLCOGMMUJDEE-UHFFFAOYSA-N 1 2 255.296 2.992 50 0 CFAALO CC(C)C[N@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000051735396 373408992 /nfs/dbraw/zinc/40/89/92/373408992.db2.gz OGPNJXSPXHXODN-UHFFFAOYSA-N 1 2 251.374 2.988 50 0 CFAALO CC(C)C[N@@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000051735396 373409004 /nfs/dbraw/zinc/40/90/04/373409004.db2.gz OGPNJXSPXHXODN-UHFFFAOYSA-N 1 2 251.374 2.988 50 0 CFAALO C[N@H+](Cc1ccco1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057332417 373587197 /nfs/dbraw/zinc/58/71/97/373587197.db2.gz PWSCSRGLNZSUEO-MRXNPFEDSA-N 1 2 284.359 2.731 50 0 CFAALO C[N@@H+](Cc1ccco1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057332417 373587210 /nfs/dbraw/zinc/58/72/10/373587210.db2.gz PWSCSRGLNZSUEO-MRXNPFEDSA-N 1 2 284.359 2.731 50 0 CFAALO COc1ccc(OC)c(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000057353421 373589809 /nfs/dbraw/zinc/58/98/09/373589809.db2.gz VZBXIPROLSNRNC-UHFFFAOYSA-N 1 2 297.358 2.870 50 0 CFAALO CC[C@H](NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C(C)C ZINC000057414855 373592242 /nfs/dbraw/zinc/59/22/42/373592242.db2.gz KIPZWNKYGPNLFP-CABCVRRESA-N 1 2 289.423 2.849 50 0 CFAALO CC[C@@H](NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C(C)C ZINC000057414860 373592314 /nfs/dbraw/zinc/59/23/14/373592314.db2.gz KIPZWNKYGPNLFP-HUUCEWRRSA-N 1 2 289.423 2.849 50 0 CFAALO C/C(=C/C(=O)NCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000055115957 373541591 /nfs/dbraw/zinc/54/15/91/373541591.db2.gz PEQFYZFTBJGLOH-QXMHVHEDSA-N 1 2 283.375 2.817 50 0 CFAALO Cc1ccc(-c2cccc(C(=O)NCCn3cc[nH+]c3)c2)o1 ZINC000065508373 373880020 /nfs/dbraw/zinc/88/00/20/373880020.db2.gz RCYOTESHEAWLMG-UHFFFAOYSA-N 1 2 295.342 2.882 50 0 CFAALO c1cc(C[NH+]2CCN(Cc3cscn3)CC2)cs1 ZINC000065585142 373888918 /nfs/dbraw/zinc/88/89/18/373888918.db2.gz WEWNKPMRGYHWFJ-UHFFFAOYSA-N 1 2 279.434 2.522 50 0 CFAALO c1coc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000065239584 373849866 /nfs/dbraw/zinc/84/98/66/373849866.db2.gz SONVLQZDDVCRMJ-UHFFFAOYSA-N 1 2 279.259 2.577 50 0 CFAALO CCN(CC)c1cc(CCC(=O)NC2CCCC2)cc[nH+]1 ZINC000065269939 373852527 /nfs/dbraw/zinc/85/25/27/373852527.db2.gz FVYPILUCNRIARU-UHFFFAOYSA-N 1 2 289.423 2.919 50 0 CFAALO Cc1cc(CN(C)c2cc(NC(C)C)[nH+]cn2)ccn1 ZINC000065397299 373867119 /nfs/dbraw/zinc/86/71/19/373867119.db2.gz XWTSRWNAVOCCJQ-UHFFFAOYSA-N 1 2 271.368 2.637 50 0 CFAALO Cc1cc(CN(C)c2cc(NC(C)C)nc[nH+]2)ccn1 ZINC000065397299 373867126 /nfs/dbraw/zinc/86/71/26/373867126.db2.gz XWTSRWNAVOCCJQ-UHFFFAOYSA-N 1 2 271.368 2.637 50 0 CFAALO CCC[C@@H]1COCC[N@@H+]1Cc1cc(F)c(O)c(OC)c1 ZINC000067820330 374007295 /nfs/dbraw/zinc/00/72/95/374007295.db2.gz BVRKTZLRRRYBOT-GFCCVEGCSA-N 1 2 283.343 2.541 50 0 CFAALO CCC[C@@H]1COCC[N@H+]1Cc1cc(F)c(O)c(OC)c1 ZINC000067820330 374007300 /nfs/dbraw/zinc/00/73/00/374007300.db2.gz BVRKTZLRRRYBOT-GFCCVEGCSA-N 1 2 283.343 2.541 50 0 CFAALO Cc1c(CN(C)Cc2[nH]cc[nH+]2)[nH]c2ccccc12 ZINC000067650021 373987705 /nfs/dbraw/zinc/98/77/05/373987705.db2.gz UYNQDCGAGRFYHA-UHFFFAOYSA-N 1 2 254.337 2.831 50 0 CFAALO CCc1noc(C[N@@H+](CC)Cc2cccc(C)c2)n1 ZINC000069416917 374060161 /nfs/dbraw/zinc/06/01/61/374060161.db2.gz BMTOAMCMKMKTJK-UHFFFAOYSA-N 1 2 259.353 2.963 50 0 CFAALO CCc1noc(C[N@H+](CC)Cc2cccc(C)c2)n1 ZINC000069416917 374060170 /nfs/dbraw/zinc/06/01/70/374060170.db2.gz BMTOAMCMKMKTJK-UHFFFAOYSA-N 1 2 259.353 2.963 50 0 CFAALO Cc1ccsc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069418639 374061080 /nfs/dbraw/zinc/06/10/80/374061080.db2.gz QIMPNOYGMSNVEW-UHFFFAOYSA-N 1 2 289.404 2.562 50 0 CFAALO O=C1OCC[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000069492695 374067815 /nfs/dbraw/zinc/06/78/15/374067815.db2.gz HMBIPKXSNGNVQE-UONOGXRCSA-N 1 2 263.312 2.572 50 0 CFAALO Cn1c[nH+]c2c1CCN(c1nc3ccccc3s1)C2 ZINC000069489719 374067934 /nfs/dbraw/zinc/06/79/34/374067934.db2.gz YRLRHLNNXXTHEA-UHFFFAOYSA-N 1 2 270.361 2.593 50 0 CFAALO Cc1ncc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)s1 ZINC000069512468 374069980 /nfs/dbraw/zinc/06/99/80/374069980.db2.gz MFNYQPRKKHBHJP-UHFFFAOYSA-N 1 2 290.436 2.867 50 0 CFAALO CCc1noc(C[NH2+]C2(c3ccc(F)cc3)CCC2)n1 ZINC000069538326 374073124 /nfs/dbraw/zinc/07/31/24/374073124.db2.gz PMDRKOBIEVDXEC-UHFFFAOYSA-N 1 2 275.327 2.940 50 0 CFAALO CCC[C@@H](C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000069669795 374084773 /nfs/dbraw/zinc/08/47/73/374084773.db2.gz RXVNEZLZPJXJOG-SNVBAGLBSA-N 1 2 264.369 2.759 50 0 CFAALO Cc1ccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000069667674 374085636 /nfs/dbraw/zinc/08/56/36/374085636.db2.gz NSFNHIOWELPIGA-CYBMUJFWSA-N 1 2 289.404 2.659 50 0 CFAALO CCOCCN1CC[N@H+](C/C=C/c2ccccc2)C[C@@H]1C ZINC000069707002 374087386 /nfs/dbraw/zinc/08/73/86/374087386.db2.gz QGSPMAVROBEOBD-JEJOPICUSA-N 1 2 288.435 2.742 50 0 CFAALO CCOCCN1CC[N@@H+](C/C=C/c2ccccc2)C[C@@H]1C ZINC000069707002 374087388 /nfs/dbraw/zinc/08/73/88/374087388.db2.gz QGSPMAVROBEOBD-JEJOPICUSA-N 1 2 288.435 2.742 50 0 CFAALO Clc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000069894684 374106663 /nfs/dbraw/zinc/10/66/63/374106663.db2.gz CQQBBHLSVOKXSJ-ZDUSSCGKSA-N 1 2 277.755 2.637 50 0 CFAALO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000070633522 374198908 /nfs/dbraw/zinc/19/89/08/374198908.db2.gz UXYBRPFZOLJGNB-LBPRGKRZSA-N 1 2 297.280 2.756 50 0 biogenic,in-vitro CFAALO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000071915948 374232265 /nfs/dbraw/zinc/23/22/65/374232265.db2.gz UCQFKUKJJPCNQE-OAHLLOKOSA-N 1 2 285.395 2.666 50 0 CFAALO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000071915948 374232268 /nfs/dbraw/zinc/23/22/68/374232268.db2.gz UCQFKUKJJPCNQE-OAHLLOKOSA-N 1 2 285.395 2.666 50 0 CFAALO CCc1c[nH+]c(C)nc1N1CCC2(CCOCC2)CC1 ZINC000071721698 374219557 /nfs/dbraw/zinc/21/95/57/374219557.db2.gz HBXVQVUUMPXAMQ-UHFFFAOYSA-N 1 2 275.396 2.744 50 0 CFAALO [NH3+]C1C(c2ccccc2)=NC(=O)N1Nc1ccccc1 ZINC000071781621 374223321 /nfs/dbraw/zinc/22/33/21/374223321.db2.gz NJJPNTSECACXGX-UHFFFAOYSA-N 1 2 266.304 2.713 50 0 CFAALO CSc1ccccc1-c1[nH+]ccn1CCn1cnnc1 ZINC000072470076 374256572 /nfs/dbraw/zinc/25/65/72/374256572.db2.gz LNTPEHZRVKRVIG-UHFFFAOYSA-N 1 2 285.376 2.564 50 0 CFAALO c1cc2ccc(N3CCC[C@@H](Cn4cc[nH+]c4)C3)nc2[nH]1 ZINC000072174220 374236154 /nfs/dbraw/zinc/23/61/54/374236154.db2.gz BYFGXGFKVVDKJX-ZDUSSCGKSA-N 1 2 281.363 2.676 50 0 CFAALO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000334094490 206002672 /nfs/dbraw/zinc/00/26/72/206002672.db2.gz QKJSDNQNHIAJPC-DGCLKSJQSA-N 1 2 290.411 2.794 50 0 CFAALO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000334094492 206002837 /nfs/dbraw/zinc/00/28/37/206002837.db2.gz QKJSDNQNHIAJPC-YPMHNXCESA-N 1 2 290.411 2.794 50 0 CFAALO CC[C@@](C)([NH2+]Cc1ccno1)c1nc(C)cs1 ZINC000072864328 374293684 /nfs/dbraw/zinc/29/36/84/374293684.db2.gz XSPSYRCSFJYMTA-GFCCVEGCSA-N 1 2 251.355 2.855 50 0 CFAALO C[C@H]1C[N@H+](Cc2ccno2)[C@H](c2ccccc2)CO1 ZINC000072896809 374300828 /nfs/dbraw/zinc/30/08/28/374300828.db2.gz LTYYVWQOVIKZSE-WFASDCNBSA-N 1 2 258.321 2.637 50 0 CFAALO C[C@H]1C[N@@H+](Cc2ccno2)[C@H](c2ccccc2)CO1 ZINC000072896809 374300838 /nfs/dbraw/zinc/30/08/38/374300838.db2.gz LTYYVWQOVIKZSE-WFASDCNBSA-N 1 2 258.321 2.637 50 0 CFAALO CCCc1[nH]c2ccc(CCC(=O)NC3CC3)cc2[nH+]1 ZINC000075478716 374484315 /nfs/dbraw/zinc/48/43/15/374484315.db2.gz BWEZXLYOWGZTAN-UHFFFAOYSA-N 1 2 271.364 2.727 50 0 CFAALO CCCc1[nH]c2cc(CCC(=O)NC3CC3)ccc2[nH+]1 ZINC000075478716 374484323 /nfs/dbraw/zinc/48/43/23/374484323.db2.gz BWEZXLYOWGZTAN-UHFFFAOYSA-N 1 2 271.364 2.727 50 0 CFAALO Cn1c(-c2ccccc2)cn(CC(=O)c2ccccc2)c1=[NH2+] ZINC000334157557 206120099 /nfs/dbraw/zinc/12/00/99/206120099.db2.gz LFVJPRKZXJEKRL-UHFFFAOYSA-N 1 2 291.354 2.856 50 0 CFAALO Cn1ccccc1=[NH+]CCc1c[nH]c2ccccc12 ZINC000334157764 206121011 /nfs/dbraw/zinc/12/10/11/206121011.db2.gz BCZOEQMHDCXZPK-UHFFFAOYSA-N 1 2 251.333 2.650 50 0 CFAALO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)no1 ZINC000078947622 374577068 /nfs/dbraw/zinc/57/70/68/374577068.db2.gz VSZFKPWOWJXJDD-OAHLLOKOSA-N 1 2 286.379 2.781 50 0 CFAALO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)no1 ZINC000078947622 374577077 /nfs/dbraw/zinc/57/70/77/374577077.db2.gz VSZFKPWOWJXJDD-OAHLLOKOSA-N 1 2 286.379 2.781 50 0 CFAALO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1F ZINC000079029510 374584835 /nfs/dbraw/zinc/58/48/35/374584835.db2.gz KILKGZOVKNPCFU-DTWKUNHWSA-N 1 2 279.315 2.938 50 0 CFAALO O=C1CCC(c2ccccc2)=NN1C[NH+]1CCCCCC1 ZINC000079501900 374616405 /nfs/dbraw/zinc/61/64/05/374616405.db2.gz TTZXGKKDGRKDHI-UHFFFAOYSA-N 1 2 285.391 2.847 50 0 CFAALO Cc1[nH+]c2ccccn2c1Cn1nc(C(C)(C)C)ccc1=O ZINC000089547732 374921317 /nfs/dbraw/zinc/92/13/17/374921317.db2.gz KLBQJSFFWKHARB-UHFFFAOYSA-N 1 2 296.374 2.545 50 0 CFAALO Cc1cc(-c2nnc(C[N@H+](C)C[C@@H]3CCCO3)o2)c(C)o1 ZINC000089582211 374924740 /nfs/dbraw/zinc/92/47/40/374924740.db2.gz IZOIVELPRHJAMT-LBPRGKRZSA-N 1 2 291.351 2.557 50 0 CFAALO Cc1cc(-c2nnc(C[N@@H+](C)C[C@@H]3CCCO3)o2)c(C)o1 ZINC000089582211 374924747 /nfs/dbraw/zinc/92/47/47/374924747.db2.gz IZOIVELPRHJAMT-LBPRGKRZSA-N 1 2 291.351 2.557 50 0 CFAALO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000089702010 374939531 /nfs/dbraw/zinc/93/95/31/374939531.db2.gz ZJZJUGXRLGHLHG-RYUDHWBXSA-N 1 2 289.404 2.552 50 0 CFAALO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(F)cccc3F)[C@@H]2C1 ZINC000092097412 375087497 /nfs/dbraw/zinc/08/74/97/375087497.db2.gz XKSINYBMTSAHGQ-LYRGGWFBSA-N 1 2 297.345 2.733 50 0 CFAALO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(F)cccc3F)[C@@H]2C1 ZINC000092097412 375087501 /nfs/dbraw/zinc/08/75/01/375087501.db2.gz XKSINYBMTSAHGQ-LYRGGWFBSA-N 1 2 297.345 2.733 50 0 CFAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000094194779 375345010 /nfs/dbraw/zinc/34/50/10/375345010.db2.gz FQFXVKCPJZLEHO-SECBINFHSA-N 1 2 288.800 2.572 50 0 CFAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000094194779 375345014 /nfs/dbraw/zinc/34/50/14/375345014.db2.gz FQFXVKCPJZLEHO-SECBINFHSA-N 1 2 288.800 2.572 50 0 CFAALO 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CC(C)=CCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000096424287 393829765 /nfs/dbraw/zinc/82/97/65/393829765.db2.gz YAKNABDHTFMQKR-OAHLLOKOSA-N 1 2 259.397 2.726 50 0 CFAALO Cc1nc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)n[nH]1 ZINC000247169783 393894043 /nfs/dbraw/zinc/89/40/43/393894043.db2.gz RBKXOLYSNQHGPO-JKSUJKDBSA-N 1 2 298.390 2.564 50 0 CFAALO Cc1nc([C@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)n[nH]1 ZINC000247169783 393894050 /nfs/dbraw/zinc/89/40/50/393894050.db2.gz RBKXOLYSNQHGPO-JKSUJKDBSA-N 1 2 298.390 2.564 50 0 CFAALO Cc1ccoc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000252497005 393936294 /nfs/dbraw/zinc/93/62/94/393936294.db2.gz PXIAZDQBQAZGFE-CQSZACIVSA-N 1 2 288.322 2.514 50 0 CFAALO CCn1ncnc1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527892678 394422164 /nfs/dbraw/zinc/42/21/64/394422164.db2.gz GTEAMUVKUBBPAI-CYBMUJFWSA-N 1 2 294.761 2.868 50 0 CFAALO C[C@@H]1CCCC[N@@H+]1Cn1nc2ccccn2c1=S ZINC000025059566 542985648 /nfs/dbraw/zinc/98/56/48/542985648.db2.gz FJNQUGHPKZBURA-LLVKDONJSA-N 1 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2.958 50 0 CFAALO O[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CC12CC2 ZINC000376435880 157354966 /nfs/dbraw/zinc/35/49/66/157354966.db2.gz PGGSNBFXOQZUDP-ZDUSSCGKSA-N 1 2 274.751 2.849 50 0 CFAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCCO ZINC000005185691 170075001 /nfs/dbraw/zinc/07/50/01/170075001.db2.gz PETAUDJEENXBGY-UHFFFAOYSA-N 1 2 281.359 2.797 50 0 CFAALO C[C@@H](O)c1ccc(OCCN(C)c2cccc[nH+]2)cc1 ZINC000005696631 170129988 /nfs/dbraw/zinc/12/99/88/170129988.db2.gz JHFMLKWNHQRDEB-CYBMUJFWSA-N 1 2 272.348 2.650 50 0 CFAALO Cc1nnc(SCc2cn3ccccc3[nH+]2)s1 ZINC000006700542 170228960 /nfs/dbraw/zinc/22/89/60/170228960.db2.gz BTTCUHNJOZOKEO-UHFFFAOYSA-N 1 2 262.363 2.787 50 0 CFAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000007200326 170270864 /nfs/dbraw/zinc/27/08/64/170270864.db2.gz FEDXTLUSDHOUJN-LBPRGKRZSA-N 1 2 271.364 2.746 50 0 CFAALO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccco2)c1 ZINC000008198310 170323901 /nfs/dbraw/zinc/32/39/01/170323901.db2.gz DIYYHFSIUKSKDJ-UHFFFAOYSA-N 1 2 258.321 2.659 50 0 CFAALO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccco2)c1 ZINC000008198310 170323902 /nfs/dbraw/zinc/32/39/02/170323902.db2.gz DIYYHFSIUKSKDJ-UHFFFAOYSA-N 1 2 258.321 2.659 50 0 CFAALO Fc1cccc(C[C@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000020450045 171207610 /nfs/dbraw/zinc/20/76/10/171207610.db2.gz YISOZMVXYYJSHZ-KRWDZBQOSA-N 1 2 286.350 2.664 50 0 CFAALO Fc1cccc(C[C@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000020450045 171207611 /nfs/dbraw/zinc/20/76/11/171207611.db2.gz YISOZMVXYYJSHZ-KRWDZBQOSA-N 1 2 286.350 2.664 50 0 CFAALO COc1ccc(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC000021916689 171336881 /nfs/dbraw/zinc/33/68/81/171336881.db2.gz QJDFUCAEGKZQPH-UHFFFAOYSA-N 1 2 279.727 2.574 50 0 CFAALO CCNc1nc2c(cnn2C)c(NCc2cccc(C)c2)[nH+]1 ZINC000021930520 171337554 /nfs/dbraw/zinc/33/75/54/171337554.db2.gz NUVYIQUVYAJLQI-UHFFFAOYSA-N 1 2 296.378 2.716 50 0 CFAALO Cc1cccc(-n2nnnc2C(C)(C)[NH2+]Cc2ccco2)c1 ZINC000035622758 172304174 /nfs/dbraw/zinc/30/41/74/172304174.db2.gz ZAJQKHVOKYQKBA-UHFFFAOYSA-N 1 2 297.362 2.589 50 0 CFAALO Cn1cc[nH+]c1CNc1ccc(OC(F)(F)F)cc1 ZINC000037301704 173106969 /nfs/dbraw/zinc/10/69/69/173106969.db2.gz MRYSSXWPRKTDOQ-UHFFFAOYSA-N 1 2 271.242 2.931 50 0 CFAALO CSc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000040526834 174314438 /nfs/dbraw/zinc/31/44/38/174314438.db2.gz CHELQLNDYVJOKB-UHFFFAOYSA-N 1 2 290.392 2.817 50 0 CFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccco1 ZINC000040541554 174322355 /nfs/dbraw/zinc/32/23/55/174322355.db2.gz ZPMLVSGVYNIEHB-UHFFFAOYSA-N 1 2 299.374 2.985 50 0 CFAALO Cc1ccc(-c2nnc(C[NH+]3CCSCC3)o2)cc1 ZINC000040540670 174322394 /nfs/dbraw/zinc/32/23/94/174322394.db2.gz ZYFAHXFUDXSWKC-UHFFFAOYSA-N 1 2 275.377 2.594 50 0 CFAALO Cc1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000043421407 175038933 /nfs/dbraw/zinc/03/89/33/175038933.db2.gz QIDKQEVTOUCPLI-UHFFFAOYSA-N 1 2 288.326 2.763 50 0 CFAALO C[N@H+](Cc1ccc(F)c(F)c1)[C@H](C(N)=O)c1ccccc1 ZINC000044438796 175175677 /nfs/dbraw/zinc/17/56/77/175175677.db2.gz CJUKFNPEAKLORR-HNNXBMFYSA-N 1 2 290.313 2.623 50 0 CFAALO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H](C(N)=O)c1ccccc1 ZINC000044438796 175175678 /nfs/dbraw/zinc/17/56/78/175175678.db2.gz CJUKFNPEAKLORR-HNNXBMFYSA-N 1 2 290.313 2.623 50 0 CFAALO CN(c1[nH+]cnc2c1cnn2C)C1CCCCCC1 ZINC000045026487 175293104 /nfs/dbraw/zinc/29/31/04/175293104.db2.gz YVQULNFGOVVZDF-UHFFFAOYSA-N 1 2 259.357 2.522 50 0 CFAALO COCC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000047505224 175409057 /nfs/dbraw/zinc/40/90/57/175409057.db2.gz BZTCYKABRUDSRM-UHFFFAOYSA-N 1 2 295.342 2.895 50 0 CFAALO CCC[C@@H]1COCCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000071278612 176108317 /nfs/dbraw/zinc/10/83/17/176108317.db2.gz XTDPIYWBKBXRDY-CYBMUJFWSA-N 1 2 299.374 2.718 50 0 CFAALO Cc1[nH]c2cc(-c3nn4c(nnc4C4CC4)s3)ccc2[nH+]1 ZINC000071714553 176249356 /nfs/dbraw/zinc/24/93/56/176249356.db2.gz DWRFXDQYJKDLRN-UHFFFAOYSA-N 1 2 296.359 2.915 50 0 CFAALO C[C@@H](c1[nH+]ccn1CCn1cccn1)c1ccccc1 ZINC000071747119 176258923 /nfs/dbraw/zinc/25/89/23/176258923.db2.gz NXIWMDABIWMYGJ-CQSZACIVSA-N 1 2 266.348 2.932 50 0 CFAALO C=Cn1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)cn1 ZINC000071763713 176261892 /nfs/dbraw/zinc/26/18/92/176261892.db2.gz JCNZPBSEIOBVHT-UHFFFAOYSA-N 1 2 281.363 2.502 50 0 CFAALO C=Cn1cc(C[N@H+](C)Cc2nc3ccccc3n2C)cn1 ZINC000071763713 176261894 /nfs/dbraw/zinc/26/18/94/176261894.db2.gz JCNZPBSEIOBVHT-UHFFFAOYSA-N 1 2 281.363 2.502 50 0 CFAALO Cc1noc(C)c1C[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000071792400 176263246 /nfs/dbraw/zinc/26/32/46/176263246.db2.gz KDDSZMKROYXOOG-UHFFFAOYSA-N 1 2 297.362 2.639 50 0 CFAALO Cc1noc(C)c1C[N@@H+](C)Cn1nccc1-c1cccnc1 ZINC000071792400 176263247 /nfs/dbraw/zinc/26/32/47/176263247.db2.gz KDDSZMKROYXOOG-UHFFFAOYSA-N 1 2 297.362 2.639 50 0 CFAALO Cc1cccc(OC2C[NH+](Cc3cccnc3)C2)c1 ZINC000072120740 176319487 /nfs/dbraw/zinc/31/94/87/176319487.db2.gz DQBFAOQWTCZRIG-UHFFFAOYSA-N 1 2 254.333 2.653 50 0 CFAALO CC(C)c1ccsc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000072278685 176357024 /nfs/dbraw/zinc/35/70/24/176357024.db2.gz UKEPROSJBKSSIQ-LLVKDONJSA-N 1 2 289.404 2.813 50 0 CFAALO CCCNC(=O)c1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000072294761 176362905 /nfs/dbraw/zinc/36/29/05/176362905.db2.gz RVXOKIWHLGIUSE-UHFFFAOYSA-N 1 2 297.358 2.782 50 0 CFAALO C[NH+](C)Cc1nc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000077423135 177265765 /nfs/dbraw/zinc/26/57/65/177265765.db2.gz BMTNQGQZCRHROU-SRVKXCTJSA-N 1 2 293.436 2.513 50 0 CFAALO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)sc1Cl ZINC000191538490 227035148 /nfs/dbraw/zinc/03/51/48/227035148.db2.gz KEAJWQZPGXQSNY-UHFFFAOYSA-N 1 2 288.781 2.906 50 0 CFAALO Cc1nc(C[NH+]2C[C@@H](C)O[C@H](C)C2)nc2ccccc12 ZINC000024230294 260127264 /nfs/dbraw/zinc/12/72/64/260127264.db2.gz AZDUNLGTCKMJHZ-VXGBXAGGSA-N 1 2 271.364 2.547 50 0 CFAALO c1c[nH+]c(-c2cccc(-c3nc([C@@H]4CCOC4)no3)c2)[nH]1 ZINC000096150897 260563249 /nfs/dbraw/zinc/56/32/49/260563249.db2.gz XYMVDEAEKBKPEK-GFCCVEGCSA-N 1 2 282.303 2.631 50 0 CFAALO COc1cc(N[C@H](C)c2[nH+]ccn2C)cc(-n2cccn2)c1 ZINC000225452636 262372372 /nfs/dbraw/zinc/37/23/72/262372372.db2.gz KHAQOTFDVYMZGI-GFCCVEGCSA-N 1 2 297.362 2.788 50 0 CFAALO Brc1cc(N2CCCC2)c2c([nH+]1)CCCN2 ZINC000096034736 275711958 /nfs/dbraw/zinc/71/19/58/275711958.db2.gz OIFPCZTYEDNVDZ-UHFFFAOYSA-N 1 2 282.185 2.802 50 0 CFAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000000236811 276293337 /nfs/dbraw/zinc/29/33/37/276293337.db2.gz YRHOLOANCOIQFP-CQSZACIVSA-N 1 2 265.328 2.743 50 0 CFAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000000236811 276293339 /nfs/dbraw/zinc/29/33/39/276293339.db2.gz YRHOLOANCOIQFP-CQSZACIVSA-N 1 2 265.328 2.743 50 0 CFAALO CC(=O)N[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C(C)C ZINC000077522382 277049165 /nfs/dbraw/zinc/04/91/65/277049165.db2.gz KXSPJQAZSNXTJR-DLBZAZTESA-N 1 2 297.402 2.832 50 0 CFAALO CC(C)(C)n1nc(-c2ccc(F)cc2)c2c1nc[nH+]c2N ZINC000001404530 277285765 /nfs/dbraw/zinc/28/57/65/277285765.db2.gz SIPDIAWCEGNHFS-UHFFFAOYSA-N 1 2 285.326 2.970 50 0 CFAALO CC(C)CN1C(=O)CC[C@H]2CN(c3cccc[nH+]3)CC[C@H]21 ZINC000072435764 277381747 /nfs/dbraw/zinc/38/17/47/277381747.db2.gz AZKWCWAYNHAXFS-LSDHHAIUSA-N 1 2 287.407 2.555 50 0 CFAALO C[C@@]1(O)C[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)CC1=O ZINC000015219752 279174399 /nfs/dbraw/zinc/17/43/99/279174399.db2.gz ZVLISYHAVDSVIF-IEBWSBKVSA-N 1 2 295.382 2.954 50 0 CFAALO C[C@@]1(O)C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)CC1=O ZINC000015219752 279174402 /nfs/dbraw/zinc/17/44/02/279174402.db2.gz ZVLISYHAVDSVIF-IEBWSBKVSA-N 1 2 295.382 2.954 50 0 CFAALO Fc1ccc(-n2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000020661927 279461016 /nfs/dbraw/zinc/46/10/16/279461016.db2.gz QMPCBCVBFAMRJW-UHFFFAOYSA-N 1 2 283.310 2.555 50 0 CFAALO C[C@]1(O)C[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)CC1=O ZINC000015219754 280171661 /nfs/dbraw/zinc/17/16/61/280171661.db2.gz ZVLISYHAVDSVIF-MJGOQNOKSA-N 1 2 295.382 2.954 50 0 CFAALO C[C@]1(O)C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)CC1=O ZINC000015219754 280171662 /nfs/dbraw/zinc/17/16/62/280171662.db2.gz ZVLISYHAVDSVIF-MJGOQNOKSA-N 1 2 295.382 2.954 50 0 CFAALO 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287.342 2.849 50 0 CFAALO Cc1cc(C[N@@H+](C)[C@@H](C)Cn2nc(C)c(Cl)c2C)no1 ZINC000584886217 348727256 /nfs/dbraw/zinc/72/72/56/348727256.db2.gz QIXSCXQRYVEMKO-VIFPVBQESA-N 1 2 296.802 2.970 50 0 CFAALO Cc1cc(C[N@H+](C)[C@@H](C)Cn2nc(C)c(Cl)c2C)no1 ZINC000584886217 348727261 /nfs/dbraw/zinc/72/72/61/348727261.db2.gz QIXSCXQRYVEMKO-VIFPVBQESA-N 1 2 296.802 2.970 50 0 CFAALO CC(C)c1nsc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)n1 ZINC000585136322 348735201 /nfs/dbraw/zinc/73/52/01/348735201.db2.gz AOQWHBXNEMAARM-NEPJUHHUSA-N 1 2 283.441 2.787 50 0 CFAALO CC(C)c1nsc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)n1 ZINC000585136322 348735204 /nfs/dbraw/zinc/73/52/04/348735204.db2.gz AOQWHBXNEMAARM-NEPJUHHUSA-N 1 2 283.441 2.787 50 0 CFAALO CC(C)c1nsc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)n1 ZINC000585136325 348735450 /nfs/dbraw/zinc/73/54/50/348735450.db2.gz AOQWHBXNEMAARM-VXGBXAGGSA-N 1 2 283.441 2.787 50 0 CFAALO CC(C)c1nsc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)n1 ZINC000585136325 348735452 /nfs/dbraw/zinc/73/54/52/348735452.db2.gz AOQWHBXNEMAARM-VXGBXAGGSA-N 1 2 283.441 2.787 50 0 CFAALO C[C@@H]1C[C@@H]([NH+]2CCC(=Cc3ccccc3)CC2)C(=O)O1 ZINC000096455411 297259950 /nfs/dbraw/zinc/25/99/50/297259950.db2.gz KRHTYJYELMOHEG-CZUORRHYSA-N 1 2 271.360 2.870 50 0 CFAALO CCOC(=O)[C@@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000233697846 539980008 /nfs/dbraw/zinc/98/00/08/539980008.db2.gz IEJKZJHXARLEMU-VIFPVBQESA-N 1 2 292.560 2.665 50 0 CFAALO Cc1nn(C)cc1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000167768140 188644672 /nfs/dbraw/zinc/64/46/72/188644672.db2.gz NTXOAQLEGRZYSM-UHFFFAOYSA-N 1 2 289.770 2.881 50 0 CFAALO O=C(C1CCCC1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252508944 540750992 /nfs/dbraw/zinc/75/09/92/540750992.db2.gz XYIYBFLYHXIZMV-UHFFFAOYSA-N 1 2 274.364 2.642 50 0 CFAALO Cc1cc(CNC(=O)c2cccn2C2CC2)c[nH+]c1C ZINC000670458244 541002064 /nfs/dbraw/zinc/00/20/64/541002064.db2.gz FBNVKZCBORSOMZ-UHFFFAOYSA-N 1 2 269.348 2.765 50 0 CFAALO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000040013653 291326735 /nfs/dbraw/zinc/32/67/35/291326735.db2.gz WUSIVPDVOWEVQY-ZDUSSCGKSA-N 1 2 267.756 2.868 50 0 CFAALO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000040013653 291326736 /nfs/dbraw/zinc/32/67/36/291326736.db2.gz WUSIVPDVOWEVQY-ZDUSSCGKSA-N 1 2 267.756 2.868 50 0 CFAALO CC(=O)c1cc(CN(C)Cc2[nH]cc(C)[nH+]2)cs1 ZINC000215609390 189695621 /nfs/dbraw/zinc/69/56/21/189695621.db2.gz DJIINMHUBFXOAV-UHFFFAOYSA-N 1 2 263.366 2.614 50 0 CFAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccccc1 ZINC000000242942 371565665 /nfs/dbraw/zinc/56/56/65/371565665.db2.gz IUQPRPHXLNIFNH-INIZCTEOSA-N 1 2 296.370 2.922 50 0 CFAALO Cc1[nH+]c(N2CCCCC2)nc(N2CCCCC2)c1C=O ZINC000000327565 371587624 /nfs/dbraw/zinc/58/76/24/371587624.db2.gz HYYRVOSDRRXGEE-UHFFFAOYSA-N 1 2 288.395 2.578 50 0 CFAALO Cc1cccc(C[C@H](O)C(Cl)(Cl)Cl)[nH+]1 ZINC000002155982 371717199 /nfs/dbraw/zinc/71/71/99/371717199.db2.gz TWTSKQISZZIJSH-QMMMGPOBSA-N 1 2 254.544 2.664 50 0 CFAALO O=C1Nc2ccccc2NC2=C1[C@H](c1ccccc1)C[NH2+]2 ZINC000002172350 371718840 /nfs/dbraw/zinc/71/88/40/371718840.db2.gz BBPHKRQZUUTHKD-SWLSCSKDSA-N 1 2 277.327 2.863 50 0 CFAALO Cc1cccc(C[C@@H](O)C(Cl)(Cl)Cl)[nH+]1 ZINC000001657473 371691542 /nfs/dbraw/zinc/69/15/42/371691542.db2.gz TWTSKQISZZIJSH-MRVPVSSYSA-N 1 2 254.544 2.664 50 0 CFAALO OC[C@H]1CCCC[N@@H+]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000001649887 371691636 /nfs/dbraw/zinc/69/16/36/371691636.db2.gz GVGACXDUCLLTDE-LLVKDONJSA-N 1 2 279.771 2.563 50 0 CFAALO OC[C@H]1CCCC[N@H+]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000001649887 371691643 /nfs/dbraw/zinc/69/16/43/371691643.db2.gz GVGACXDUCLLTDE-LLVKDONJSA-N 1 2 279.771 2.563 50 0 CFAALO COc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000002960765 371765429 /nfs/dbraw/zinc/76/54/29/371765429.db2.gz QHVFMTOBRIJHQE-UHFFFAOYSA-N 1 2 295.342 2.581 50 0 CFAALO Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000002960888 371766319 /nfs/dbraw/zinc/76/63/19/371766319.db2.gz XHFPLIHVGWVICB-UHFFFAOYSA-N 1 2 279.343 2.615 50 0 CFAALO COC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000004354877 371852495 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ZINC000016579922 372111913 /nfs/dbraw/zinc/11/19/13/372111913.db2.gz ADEKXGBZDNXOIY-UHFFFAOYSA-N 1 2 290.382 2.660 50 0 CFAALO Cc1cccc(N2CC[NH+](CC(=O)c3ccc[nH]3)CC2)c1C ZINC000014915696 372075317 /nfs/dbraw/zinc/07/53/17/372075317.db2.gz KKPQQAIYYVZDNP-UHFFFAOYSA-N 1 2 297.402 2.636 50 0 CFAALO O=C1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000015810039 372092916 /nfs/dbraw/zinc/09/29/16/372092916.db2.gz OHOYHVWEDJIMIG-UHFFFAOYSA-N 1 2 280.371 2.531 50 0 CFAALO O=C1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000015810039 372092926 /nfs/dbraw/zinc/09/29/26/372092926.db2.gz OHOYHVWEDJIMIG-UHFFFAOYSA-N 1 2 280.371 2.531 50 0 CFAALO Cc1c(Cl)cccc1NC(=S)NCCc1c[nH+]c[nH]1 ZINC000018244253 372145460 /nfs/dbraw/zinc/14/54/60/372145460.db2.gz AEAIPSMYKUHSST-UHFFFAOYSA-N 1 2 294.811 2.901 50 0 CFAALO Cc1c(Cl)cccc1NC(=S)NCCc1c[nH]c[nH+]1 ZINC000018244253 372145463 /nfs/dbraw/zinc/14/54/63/372145463.db2.gz AEAIPSMYKUHSST-UHFFFAOYSA-N 1 2 294.811 2.901 50 0 CFAALO Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000019359856 372156214 /nfs/dbraw/zinc/15/62/14/372156214.db2.gz GRCRYNJAJRZGQS-UHFFFAOYSA-N 1 2 270.376 2.906 50 0 CFAALO CCNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017296730 372131173 /nfs/dbraw/zinc/13/11/73/372131173.db2.gz BVUHNYHXGIUDPR-UHFFFAOYSA-N 1 2 273.727 2.901 50 0 CFAALO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2[nH]cnc2c1 ZINC000019939091 372211609 /nfs/dbraw/zinc/21/16/09/372211609.db2.gz KQXFPYOCWLHPHS-UHFFFAOYSA-N 1 2 295.390 2.797 50 0 CFAALO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2[nH]cnc2c1 ZINC000019939091 372211614 /nfs/dbraw/zinc/21/16/14/372211614.db2.gz KQXFPYOCWLHPHS-UHFFFAOYSA-N 1 2 295.390 2.797 50 0 CFAALO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2nc[nH]c2c1 ZINC000019939091 372211619 /nfs/dbraw/zinc/21/16/19/372211619.db2.gz KQXFPYOCWLHPHS-UHFFFAOYSA-N 1 2 295.390 2.797 50 0 CFAALO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2nc[nH]c2c1 ZINC000019939091 372211622 /nfs/dbraw/zinc/21/16/22/372211622.db2.gz KQXFPYOCWLHPHS-UHFFFAOYSA-N 1 2 295.390 2.797 50 0 CFAALO COc1ccccc1OCCn1c2ccccc2n(C)c1=[NH2+] ZINC000020069510 372224975 /nfs/dbraw/zinc/22/49/75/372224975.db2.gz HWBQFFNTLRAUQB-UHFFFAOYSA-N 1 2 297.358 2.547 50 0 CFAALO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCc2ccccc21 ZINC000021964719 372244609 /nfs/dbraw/zinc/24/46/09/372244609.db2.gz DCKQFJSMAKTZHE-AWEZNQCLSA-N 1 2 279.347 2.853 50 0 CFAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1 ZINC000023890152 372267179 /nfs/dbraw/zinc/26/71/79/372267179.db2.gz ZNFMIURWOYOZME-UHFFFAOYSA-N 1 2 253.261 2.718 50 0 CFAALO Cc1ccc2c(C[N@@H+]3CCO[C@H](C)C3)cc(=O)oc2c1C ZINC000024014471 372268563 /nfs/dbraw/zinc/26/85/63/372268563.db2.gz VPAMNHCZQWGJTL-GFCCVEGCSA-N 1 2 287.359 2.631 50 0 CFAALO Cc1ccc2c(C[N@H+]3CCO[C@H](C)C3)cc(=O)oc2c1C ZINC000024014471 372268571 /nfs/dbraw/zinc/26/85/71/372268571.db2.gz VPAMNHCZQWGJTL-GFCCVEGCSA-N 1 2 287.359 2.631 50 0 CFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000024113520 372272227 /nfs/dbraw/zinc/27/22/27/372272227.db2.gz XBZAKIWEVAKUEB-INIZCTEOSA-N 1 2 291.354 2.940 50 0 CFAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)C1CC1 ZINC000025593511 372305037 /nfs/dbraw/zinc/30/50/37/372305037.db2.gz IPBAYGODXSXCAM-LLVKDONJSA-N 1 2 271.364 2.513 50 0 CFAALO CN(C)c1cc(CNc2cnc3ccccc3n2)cc[nH+]1 ZINC000030001076 372389358 /nfs/dbraw/zinc/38/93/58/372389358.db2.gz OZKXRELJAMQAEX-UHFFFAOYSA-N 1 2 279.347 2.703 50 0 CFAALO c1coc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000032902550 372473821 /nfs/dbraw/zinc/47/38/21/372473821.db2.gz IKQMFXTVWOWADX-UHFFFAOYSA-N 1 2 283.331 2.743 50 0 CFAALO CCCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000032809211 372464076 /nfs/dbraw/zinc/46/40/76/372464076.db2.gz CAOFHEILCDEHQU-UHFFFAOYSA-N 1 2 292.427 2.641 50 0 CFAALO C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CCO1 ZINC000032824033 372465724 /nfs/dbraw/zinc/46/57/24/372465724.db2.gz BIAATQNHOSXFQE-NSHDSACASA-N 1 2 260.312 2.595 50 0 CFAALO C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CCO1 ZINC000032824033 372465729 /nfs/dbraw/zinc/46/57/29/372465729.db2.gz BIAATQNHOSXFQE-NSHDSACASA-N 1 2 260.312 2.595 50 0 CFAALO 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2.784 50 0 CFAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000022027861 372244748 /nfs/dbraw/zinc/24/47/48/372244748.db2.gz YRSRJTSAWRCXIO-UHFFFAOYSA-N 1 2 294.398 2.665 50 0 CFAALO O=C(NCCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049541 372270612 /nfs/dbraw/zinc/27/06/12/372270612.db2.gz VIIHTUBMARBUMR-UHFFFAOYSA-N 1 2 297.383 2.906 50 0 CFAALO O=C(CCc1ccsc1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025009246 372287635 /nfs/dbraw/zinc/28/76/35/372287635.db2.gz SDQVMAJXCOFKEE-UHFFFAOYSA-N 1 2 298.371 2.900 50 0 CFAALO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026224368 372316091 /nfs/dbraw/zinc/31/60/91/372316091.db2.gz FXWKHYZJTGSQCB-SUMWQHHRSA-N 1 2 298.386 2.881 50 0 CFAALO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000029594321 372383005 /nfs/dbraw/zinc/38/30/05/372383005.db2.gz YSYWLNXTILJQHH-CYBMUJFWSA-N 1 2 283.375 2.639 50 0 CFAALO NC(=O)[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000028374382 372363632 /nfs/dbraw/zinc/36/36/32/372363632.db2.gz YLRHHQLAPBMJJT-LBPRGKRZSA-N 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291.420 2.603 50 0 CFAALO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000037855328 372726028 /nfs/dbraw/zinc/72/60/28/372726028.db2.gz GVTZTBHOYNXMKJ-INIZCTEOSA-N 1 2 269.344 2.561 50 0 CFAALO CN(C)c1nc(NCc2ccccn2)[nH+]c2ccccc21 ZINC000041147229 372819188 /nfs/dbraw/zinc/81/91/88/372819188.db2.gz VIQCKNKXRSGSAL-UHFFFAOYSA-N 1 2 279.347 2.703 50 0 CFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CCCC2 ZINC000042510044 372932413 /nfs/dbraw/zinc/93/24/13/372932413.db2.gz LQJCHFKLBBJYLT-LLVKDONJSA-N 1 2 289.404 2.642 50 0 CFAALO O=C(NC1CC1)c1cccc(CNc2cccc[nH+]2)c1 ZINC000049321106 373288294 /nfs/dbraw/zinc/28/82/94/373288294.db2.gz QPSCIBVBAVXCNU-UHFFFAOYSA-N 1 2 267.332 2.586 50 0 CFAALO CC[N@H+](CC(=O)NC(C)(C)C)Cc1nc2ccccc2o1 ZINC000007683188 284393216 /nfs/dbraw/zinc/39/32/16/284393216.db2.gz FIYYQPUQXRSPAB-UHFFFAOYSA-N 1 2 289.379 2.564 50 0 CFAALO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1nc2ccccc2o1 ZINC000007683188 284393220 /nfs/dbraw/zinc/39/32/20/284393220.db2.gz FIYYQPUQXRSPAB-UHFFFAOYSA-N 1 2 289.379 2.564 50 0 CFAALO C[N@H+](CC(=O)c1cccc(O)c1)Cc1ccccc1 ZINC000054965527 373532024 /nfs/dbraw/zinc/53/20/24/373532024.db2.gz DWMWFFWZJCCKCS-UHFFFAOYSA-N 1 2 255.317 2.707 50 0 in-vitro CFAALO C[N@@H+](CC(=O)c1cccc(O)c1)Cc1ccccc1 ZINC000054965527 373532031 /nfs/dbraw/zinc/53/20/31/373532031.db2.gz DWMWFFWZJCCKCS-UHFFFAOYSA-N 1 2 255.317 2.707 50 0 in-vitro CFAALO Cc1ccc(SCC[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000055036705 373534114 /nfs/dbraw/zinc/53/41/14/373534114.db2.gz RBLVNRWPWPDWRD-UHFFFAOYSA-N 1 2 261.394 2.942 50 0 CFAALO Cc1ccc(SCC[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000055036705 373534125 /nfs/dbraw/zinc/53/41/25/373534125.db2.gz RBLVNRWPWPDWRD-UHFFFAOYSA-N 1 2 261.394 2.942 50 0 CFAALO Cc1cc(C[N@H+](C)CCCOc2ccc(F)cc2)n[nH]1 ZINC000055281411 373546374 /nfs/dbraw/zinc/54/63/74/373546374.db2.gz KVSHWKDBANVMNI-UHFFFAOYSA-N 1 2 277.343 2.758 50 0 CFAALO Cc1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)n[nH]1 ZINC000055281411 373546381 /nfs/dbraw/zinc/54/63/81/373546381.db2.gz KVSHWKDBANVMNI-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/84/65/68/373846568.db2.gz PLPHYMVVXHPWOL-UHFFFAOYSA-N 1 2 283.375 2.906 50 0 CFAALO CCC(=O)NCc1ccc(-n2cc(C)[nH+]c2CC)cc1 ZINC000065201633 373848406 /nfs/dbraw/zinc/84/84/06/373848406.db2.gz MRJMSHBLRYUHOM-UHFFFAOYSA-N 1 2 271.364 2.769 50 0 CFAALO c1cn(-c2ccc(-c3noc(-c4ccoc4)n3)cn2)c[nH+]1 ZINC000065239582 373850649 /nfs/dbraw/zinc/85/06/49/373850649.db2.gz LFFIWSZZCWYFJD-UHFFFAOYSA-N 1 2 279.259 2.577 50 0 CFAALO c1cn(-c2ccc(-c3nnc(-c4ccoc4)o3)cn2)c[nH+]1 ZINC000065259412 373852828 /nfs/dbraw/zinc/85/28/28/373852828.db2.gz ODJVBWZFCWFPCB-UHFFFAOYSA-N 1 2 279.259 2.577 50 0 CFAALO COc1ccc(C[N@H+](C)Cc2ncc[nH]2)c2cccnc12 ZINC000065395995 373866207 /nfs/dbraw/zinc/86/62/07/373866207.db2.gz ABENOSRQQGEPSQ-UHFFFAOYSA-N 1 2 282.347 2.599 50 0 CFAALO COc1ccc(C[N@@H+](C)Cc2ncc[nH]2)c2cccnc12 ZINC000065395995 373866213 /nfs/dbraw/zinc/86/62/13/373866213.db2.gz ABENOSRQQGEPSQ-UHFFFAOYSA-N 1 2 282.347 2.599 50 0 CFAALO CCc1c[nH+]c(C)nc1N[C@@H](CC)c1cnn(C)c1 ZINC000065406098 373866976 /nfs/dbraw/zinc/86/69/76/373866976.db2.gz WBBMDGURSKGCAR-ZDUSSCGKSA-N 1 2 259.357 2.644 50 0 CFAALO Cc1cc(N(C)CC2(C)COC2)nc(-c2ccccc2)[nH+]1 ZINC000065436048 373873410 /nfs/dbraw/zinc/87/34/10/373873410.db2.gz CJUKHICCOZVLNK-UHFFFAOYSA-N 1 2 283.375 2.925 50 0 CFAALO c1c[nH]c(-c2ccccc2OCCCn2cc[nH+]c2)n1 ZINC000067712877 373994861 /nfs/dbraw/zinc/99/48/61/373994861.db2.gz IMVHWXCWYJAONX-UHFFFAOYSA-N 1 2 268.320 2.742 50 0 CFAALO c1cn(CC2(c3nnc(CCc4ccccc4)[nH]3)CC2)c[nH+]1 ZINC000067723661 373997215 /nfs/dbraw/zinc/99/72/15/373997215.db2.gz VZCAPIUKZOOHGL-UHFFFAOYSA-N 1 2 293.374 2.518 50 0 CFAALO c1cn(CC2(c3nc(CCc4ccccc4)n[nH]3)CC2)c[nH+]1 ZINC000067723661 373997220 /nfs/dbraw/zinc/99/72/20/373997220.db2.gz VZCAPIUKZOOHGL-UHFFFAOYSA-N 1 2 293.374 2.518 50 0 CFAALO c1cn(CC2(c3n[nH]c(CCc4ccccc4)n3)CC2)c[nH+]1 ZINC000067723661 373997226 /nfs/dbraw/zinc/99/72/26/373997226.db2.gz VZCAPIUKZOOHGL-UHFFFAOYSA-N 1 2 293.374 2.518 50 0 CFAALO CCOc1ccc(-c2[nH+]ccn2Cc2cccnc2)cn1 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C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000067676801 373992516 /nfs/dbraw/zinc/99/25/16/373992516.db2.gz ZZUWCWYQECEPPO-LBPRGKRZSA-N 1 2 269.348 2.962 50 0 CFAALO Cc1cnn(C2C[NH+]([C@@H](C)c3cccc(F)c3)C2)c1 ZINC000069615175 374078060 /nfs/dbraw/zinc/07/80/60/374078060.db2.gz QOEUOCQPYBCWLC-LBPRGKRZSA-N 1 2 259.328 2.949 50 0 CFAALO C[C@H](C(=O)NCc1csc(C(C)(C)C)n1)n1cc[nH+]c1 ZINC000069453855 374065513 /nfs/dbraw/zinc/06/55/13/374065513.db2.gz CRLYQZONGNYBIQ-SNVBAGLBSA-N 1 2 292.408 2.515 50 0 CFAALO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2noc(C(C)(C)C)n2)c1 ZINC000069489507 374068316 /nfs/dbraw/zinc/06/83/16/374068316.db2.gz BDOJPBDAGFQELD-NWDGAFQWSA-N 1 2 291.399 2.611 50 0 CFAALO Fc1ccc(C[N@@H+]2CCc3cncnc3C2)c2ncccc12 ZINC000069486044 374068512 /nfs/dbraw/zinc/06/85/12/374068512.db2.gz MVQJXGVCOCRECM-UHFFFAOYSA-N 1 2 294.333 2.722 50 0 CFAALO Fc1ccc(C[N@H+]2CCc3cncnc3C2)c2ncccc12 ZINC000069486044 374068517 /nfs/dbraw/zinc/06/85/17/374068517.db2.gz MVQJXGVCOCRECM-UHFFFAOYSA-N 1 2 294.333 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375582585 /nfs/dbraw/zinc/58/25/85/375582585.db2.gz FZHFUGSHYXQRMI-UHFFFAOYSA-N 1 2 280.371 2.594 50 0 CFAALO CN(Cc1cnn(C)c1)Cc1c[nH+]c(CC2CCCC2)[nH]1 ZINC000097797241 375584724 /nfs/dbraw/zinc/58/47/24/375584724.db2.gz OBSQFYSQQGCDMO-UHFFFAOYSA-N 1 2 287.411 2.508 50 0 CFAALO CN(Cc1cnn(C)c1)Cc1c[nH]c(CC2CCCC2)[nH+]1 ZINC000097797241 375584729 /nfs/dbraw/zinc/58/47/29/375584729.db2.gz OBSQFYSQQGCDMO-UHFFFAOYSA-N 1 2 287.411 2.508 50 0 CFAALO CN(Cc1c[nH+]c[nH]1)Cc1nc2ccccc2s1 ZINC000097797781 375584830 /nfs/dbraw/zinc/58/48/30/375584830.db2.gz VRVVMOZGLYUIAT-UHFFFAOYSA-N 1 2 258.350 2.651 50 0 CFAALO CN(Cc1c[nH]c[nH+]1)Cc1nc2ccccc2s1 ZINC000097797781 375584835 /nfs/dbraw/zinc/58/48/35/375584835.db2.gz VRVVMOZGLYUIAT-UHFFFAOYSA-N 1 2 258.350 2.651 50 0 CFAALO O[N+]1=c2ccc(Nc3ccccc3)cc2=NC12CCCCC2 ZINC000100436558 375622349 /nfs/dbraw/zinc/62/23/49/375622349.db2.gz QEKYDTGXFOVMRB-UHFFFAOYSA-N 1 2 293.370 2.713 50 0 CFAALO Cc1c2ccccc2oc1C(=O)NCCCn1cc[nH+]c1 ZINC000100616032 375625050 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C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000185895811 381771957 /nfs/dbraw/zinc/77/19/57/381771957.db2.gz NKXCFHRKYRHYEX-KRWDZBQOSA-N 1 2 299.374 2.572 50 0 CFAALO C[C@@H](C[NH+]1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000187187880 382124347 /nfs/dbraw/zinc/12/43/47/382124347.db2.gz FINPNIXFFXJUAG-NSHDSACASA-N 1 2 271.813 2.508 50 0 CFAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)CSC ZINC000187730351 382258144 /nfs/dbraw/zinc/25/81/44/382258144.db2.gz YIYRHWPQJBLYKQ-LLVKDONJSA-N 1 2 264.394 2.713 50 0 CFAALO C[C@@H]1C[N@H+](CCSc2nc3ccccc3o2)CCO1 ZINC000188206257 382367035 /nfs/dbraw/zinc/36/70/35/382367035.db2.gz GSKFDQHMMTUBGJ-LLVKDONJSA-N 1 2 278.377 2.641 50 0 CFAALO C[C@@H]1C[N@@H+](CCSc2nc3ccccc3o2)CCO1 ZINC000188206257 382367038 /nfs/dbraw/zinc/36/70/38/382367038.db2.gz GSKFDQHMMTUBGJ-LLVKDONJSA-N 1 2 278.377 2.641 50 0 CFAALO Cc1n[nH]cc1C[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000195565069 382769771 /nfs/dbraw/zinc/76/97/71/382769771.db2.gz SJBBYRSISCASII-ZDUSSCGKSA-N 1 2 290.436 2.658 50 0 CFAALO O=C(C1CCCC1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575605042 382775109 /nfs/dbraw/zinc/77/51/09/382775109.db2.gz GFZYTVCTTNAQTF-HNNXBMFYSA-N 1 2 274.364 2.642 50 0 CFAALO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cn1 ZINC000214973335 382777635 /nfs/dbraw/zinc/77/76/35/382777635.db2.gz JYDNAGYJUKRBQY-ZDUSSCGKSA-N 1 2 288.420 2.941 50 0 CFAALO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cn1 ZINC000214973335 382777638 /nfs/dbraw/zinc/77/76/38/382777638.db2.gz JYDNAGYJUKRBQY-ZDUSSCGKSA-N 1 2 288.420 2.941 50 0 CFAALO Nc1[nH+]cnc(N[C@H](c2nccs2)C2CC2)c1Cl ZINC000225479919 382816788 /nfs/dbraw/zinc/81/67/88/382816788.db2.gz ZVLIABITAPSCLU-QMMMGPOBSA-N 1 2 281.772 2.732 50 0 CFAALO Nc1nc[nH+]c(N[C@H](c2nccs2)C2CC2)c1Cl ZINC000225479919 382816790 /nfs/dbraw/zinc/81/67/90/382816790.db2.gz ZVLIABITAPSCLU-QMMMGPOBSA-N 1 2 281.772 2.732 50 0 CFAALO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000229484138 382851461 /nfs/dbraw/zinc/85/14/61/382851461.db2.gz MKKAWVDBZHAJQO-TYNCELHUSA-N 1 2 287.363 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0 CFAALO COc1ccc(C[N@@H+]2CCO[C@@H](CC(C)C)C2)c(OC)c1 ZINC000216236862 382782472 /nfs/dbraw/zinc/78/24/72/382782472.db2.gz LKXDZYVOSCSKID-INIZCTEOSA-N 1 2 293.407 2.951 50 0 CFAALO COc1ccc(C[N@H+]2CCO[C@@H](CC(C)C)C2)c(OC)c1 ZINC000216236862 382782474 /nfs/dbraw/zinc/78/24/74/382782474.db2.gz LKXDZYVOSCSKID-INIZCTEOSA-N 1 2 293.407 2.951 50 0 CFAALO CC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccncn2)cs1 ZINC000216271085 382782787 /nfs/dbraw/zinc/78/27/87/382782787.db2.gz UDARBEVGTLMJGY-JTQLQIEISA-N 1 2 275.377 2.934 50 0 CFAALO CC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccncn2)cs1 ZINC000216271085 382782789 /nfs/dbraw/zinc/78/27/89/382782789.db2.gz UDARBEVGTLMJGY-JTQLQIEISA-N 1 2 275.377 2.934 50 0 CFAALO C/C=C/C=C\C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000229352807 382850939 /nfs/dbraw/zinc/85/09/39/382850939.db2.gz WAEMYFIEJHFGQS-WXMSFRITSA-N 1 2 299.349 2.897 50 0 CFAALO O=C(NC[C@@H]1CCCN1c1cccc[nH+]1)c1ccc(F)cc1 ZINC000225629528 382819359 /nfs/dbraw/zinc/81/93/59/382819359.db2.gz OHVWHNPLAXCEMH-HNNXBMFYSA-N 1 2 299.349 2.620 50 0 CFAALO Cc1cc(N[C@@H](C)c2[nH]cc[nH+]2)nc(-c2ccncc2)n1 ZINC000225648930 382819657 /nfs/dbraw/zinc/81/96/57/382819657.db2.gz MIRYUPVUPBDILN-NSHDSACASA-N 1 2 280.335 2.743 50 0 CFAALO Cc1cccc(C[N@H+](C)Cc2cnc3ccccc3n2)n1 ZINC000244574808 382989421 /nfs/dbraw/zinc/98/94/21/382989421.db2.gz CRVBQHJMVDQVKL-UHFFFAOYSA-N 1 2 278.359 2.965 50 0 CFAALO Cc1cccc(C[N@@H+](C)Cc2cnc3ccccc3n2)n1 ZINC000244574808 382989427 /nfs/dbraw/zinc/98/94/27/382989427.db2.gz CRVBQHJMVDQVKL-UHFFFAOYSA-N 1 2 278.359 2.965 50 0 CFAALO CC(=O)c1cc(C[N@@H+](Cc2cnn(C)c2)C2CC2)cs1 ZINC000244899800 382995721 /nfs/dbraw/zinc/99/57/21/382995721.db2.gz ZQIGAEIAWAWILE-UHFFFAOYSA-N 1 2 289.404 2.849 50 0 CFAALO CC(=O)c1cc(C[N@H+](Cc2cnn(C)c2)C2CC2)cs1 ZINC000244899800 382995724 /nfs/dbraw/zinc/99/57/24/382995724.db2.gz ZQIGAEIAWAWILE-UHFFFAOYSA-N 1 2 289.404 2.849 50 0 CFAALO CCNC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000583650842 383091308 /nfs/dbraw/zinc/09/13/08/383091308.db2.gz AGARFUXRPVPSSR-UHFFFAOYSA-N 1 2 286.379 2.547 50 0 CFAALO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000585116243 383114656 /nfs/dbraw/zinc/11/46/56/383114656.db2.gz NCYCNDZQMVNWOY-CQSZACIVSA-N 1 2 257.312 2.953 50 0 CFAALO Fc1cccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000585116243 383114659 /nfs/dbraw/zinc/11/46/59/383114659.db2.gz NCYCNDZQMVNWOY-CQSZACIVSA-N 1 2 257.312 2.953 50 0 CFAALO CN(C)c1ccc(-c2cnn([C@H]3CCCCO3)c2)c[nH+]1 ZINC000426429054 383400274 /nfs/dbraw/zinc/40/02/74/383400274.db2.gz QBNDGLPRKZFIQD-OAHLLOKOSA-N 1 2 272.352 2.710 50 0 CFAALO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CC[C@@H]2C[C@H]1C2(C)C ZINC000426490640 383402829 /nfs/dbraw/zinc/40/28/29/383402829.db2.gz UFKKLCSNVNJWHQ-JHJVBQTASA-N 1 2 290.411 2.623 50 0 CFAALO C[C@@H](C(=O)NCCCCc1ccccc1)n1cc[nH+]c1 ZINC000426618109 383408372 /nfs/dbraw/zinc/40/83/72/383408372.db2.gz JZZXJVZJDQHLNI-AWEZNQCLSA-N 1 2 271.364 2.583 50 0 CFAALO CS[C@@H]1CCCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277688541 384375657 /nfs/dbraw/zinc/37/56/57/384375657.db2.gz FRBUWXLPXFHYQT-CYBMUJFWSA-N 1 2 292.452 2.799 50 0 CFAALO CS[C@@H]1CCCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277688541 384375664 /nfs/dbraw/zinc/37/56/64/384375664.db2.gz FRBUWXLPXFHYQT-CYBMUJFWSA-N 1 2 292.452 2.799 50 0 CFAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)no1 ZINC000008319895 393469331 /nfs/dbraw/zinc/46/93/31/393469331.db2.gz MPMVRFWRHDTCHV-LLVKDONJSA-N 1 2 291.376 2.820 50 0 CFAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)no1 ZINC000008319895 393469338 /nfs/dbraw/zinc/46/93/38/393469338.db2.gz MPMVRFWRHDTCHV-LLVKDONJSA-N 1 2 291.376 2.820 50 0 CFAALO C[C@@H](NC(=O)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012520206 393475122 /nfs/dbraw/zinc/47/51/22/393475122.db2.gz AWTFRIXLRLVLNK-GFCCVEGCSA-N 1 2 281.315 2.956 50 0 CFAALO CCOc1cccc(C[N@H+](Cc2nccn2C)C2CC2)c1 ZINC000055042527 393618663 /nfs/dbraw/zinc/61/86/63/393618663.db2.gz GETAZYDZTVWTSV-UHFFFAOYSA-N 1 2 285.391 2.983 50 0 CFAALO CCOc1cccc(C[N@@H+](Cc2nccn2C)C2CC2)c1 ZINC000055042527 393618669 /nfs/dbraw/zinc/61/86/69/393618669.db2.gz GETAZYDZTVWTSV-UHFFFAOYSA-N 1 2 285.391 2.983 50 0 CFAALO Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193997169 393671118 /nfs/dbraw/zinc/67/11/18/393671118.db2.gz ZDCLKVAMYGYFAS-CYBMUJFWSA-N 1 2 289.354 2.807 50 0 CFAALO Fc1ccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193997169 393671122 /nfs/dbraw/zinc/67/11/22/393671122.db2.gz ZDCLKVAMYGYFAS-CYBMUJFWSA-N 1 2 289.354 2.807 50 0 CFAALO Cc1nnc([C@H](C)[N@H+](C)CCOc2ccc(F)cc2)o1 ZINC000077676181 393700751 /nfs/dbraw/zinc/70/07/51/393700751.db2.gz VDPIWZBRKRAHAO-JTQLQIEISA-N 1 2 279.315 2.589 50 0 CFAALO Cc1nnc([C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)o1 ZINC000077676181 393700755 /nfs/dbraw/zinc/70/07/55/393700755.db2.gz VDPIWZBRKRAHAO-JTQLQIEISA-N 1 2 279.315 2.589 50 0 CFAALO CCOC(=O)c1sc(/C=C\c2[nH+]ccn2C)nc1C ZINC000096297276 393818092 /nfs/dbraw/zinc/81/80/92/393818092.db2.gz IAIGUQDQXWKVFY-WAYWQWQTSA-N 1 2 277.349 2.532 50 0 CFAALO CCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000096407789 393822476 /nfs/dbraw/zinc/82/24/76/393822476.db2.gz LJIXCZFBXKAMAB-ZDUSSCGKSA-N 1 2 298.839 2.566 50 0 CFAALO CCNC(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000096407789 393822483 /nfs/dbraw/zinc/82/24/83/393822483.db2.gz LJIXCZFBXKAMAB-ZDUSSCGKSA-N 1 2 298.839 2.566 50 0 CFAALO FC(F)CN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000096412946 393824623 /nfs/dbraw/zinc/82/46/23/393824623.db2.gz QBFXZMYDJSGKIE-UHFFFAOYSA-N 1 2 291.345 2.618 50 0 CFAALO Cc1ccoc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000252497004 393936058 /nfs/dbraw/zinc/93/60/58/393936058.db2.gz PXIAZDQBQAZGFE-AWEZNQCLSA-N 1 2 288.322 2.514 50 0 CFAALO C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000033185587 542999211 /nfs/dbraw/zinc/99/92/11/542999211.db2.gz YKMSSXMFYWYOOK-OCCSQVGLSA-N 1 2 284.363 2.576 50 0 CFAALO CCCCn1nnnc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046088472 397579885 /nfs/dbraw/zinc/57/98/85/397579885.db2.gz UFYFTPDMMAFIKT-ZDUSSCGKSA-N 1 2 291.424 2.872 50 0 CFAALO CCCCn1nnnc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046088472 397579888 /nfs/dbraw/zinc/57/98/88/397579888.db2.gz UFYFTPDMMAFIKT-ZDUSSCGKSA-N 1 2 291.424 2.872 50 0 CFAALO COc1cccc([C@H]2CCCN2C(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000046912805 397583272 /nfs/dbraw/zinc/58/32/72/397583272.db2.gz PJMSCEJRQOGCQR-CZUORRHYSA-N 1 2 299.374 2.816 50 0 CFAALO CCOc1ccccc1C[N@H+](C)Cc1n[nH]cc1C ZINC000356088468 155158765 /nfs/dbraw/zinc/15/87/65/155158765.db2.gz OWIRMEYMZKZUDC-UHFFFAOYSA-N 1 2 259.353 2.749 50 0 CFAALO CCOc1ccccc1C[N@@H+](C)Cc1n[nH]cc1C ZINC000356088468 155158768 /nfs/dbraw/zinc/15/87/68/155158768.db2.gz OWIRMEYMZKZUDC-UHFFFAOYSA-N 1 2 259.353 2.749 50 0 CFAALO CCOc1ccccc1C[N@H+](C)Cc1[nH]ncc1C ZINC000356088468 155158769 /nfs/dbraw/zinc/15/87/69/155158769.db2.gz OWIRMEYMZKZUDC-UHFFFAOYSA-N 1 2 259.353 2.749 50 0 CFAALO CCOc1ccccc1C[N@@H+](C)Cc1[nH]ncc1C ZINC000356088468 155158772 /nfs/dbraw/zinc/15/87/72/155158772.db2.gz OWIRMEYMZKZUDC-UHFFFAOYSA-N 1 2 259.353 2.749 50 0 CFAALO Cc1ccc(NC(=S)NCCc2c[nH+]c[nH]2)c(C)c1 ZINC000004818346 170022346 /nfs/dbraw/zinc/02/23/46/170022346.db2.gz NDIZEVVLXZYOPK-UHFFFAOYSA-N 1 2 274.393 2.556 50 0 CFAALO Cc1ccc(NC(=S)NCCc2c[nH]c[nH+]2)c(C)c1 ZINC000004818346 170022349 /nfs/dbraw/zinc/02/23/49/170022349.db2.gz NDIZEVVLXZYOPK-UHFFFAOYSA-N 1 2 274.393 2.556 50 0 CFAALO CC[n+]1cscc1-c1c(C)oc2cc(O)ccc2c1=O ZINC000005908373 170153714 /nfs/dbraw/zinc/15/37/14/170153714.db2.gz YLPRUTBADMAEPT-UHFFFAOYSA-O 1 2 288.348 2.843 50 0 CFAALO CCCCCCc1c(O)ccn(CCc2c[nH+]c[nH]2)c1=O ZINC000006419753 170200012 /nfs/dbraw/zinc/20/00/12/170200012.db2.gz AFUQCMNEELPMCG-UHFFFAOYSA-N 1 2 289.379 2.643 50 0 CFAALO CCCCCCc1c(O)ccn(CCc2c[nH]c[nH+]2)c1=O ZINC000006419753 170200013 /nfs/dbraw/zinc/20/00/13/170200013.db2.gz AFUQCMNEELPMCG-UHFFFAOYSA-N 1 2 289.379 2.643 50 0 CFAALO O=C(Nc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000006742609 170238187 /nfs/dbraw/zinc/23/81/87/170238187.db2.gz RAIAQYCCNHMUIX-UHFFFAOYSA-N 1 2 285.347 2.629 50 0 CFAALO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(F)cc1 ZINC000008120440 170320170 /nfs/dbraw/zinc/32/01/70/170320170.db2.gz PUJSPQBXISPXLH-UHFFFAOYSA-N 1 2 272.323 2.896 50 0 CFAALO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(F)cc1 ZINC000008120440 170320172 /nfs/dbraw/zinc/32/01/72/170320172.db2.gz PUJSPQBXISPXLH-UHFFFAOYSA-N 1 2 272.323 2.896 50 0 CFAALO C[C@@H](NC(=O)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009515174 170379806 /nfs/dbraw/zinc/37/98/06/170379806.db2.gz IMFBJYPCUDCKLB-GFCCVEGCSA-N 1 2 269.348 2.850 50 0 CFAALO O=C(NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000013745251 170587242 /nfs/dbraw/zinc/58/72/42/170587242.db2.gz KMAJKZQFGGERQR-UHFFFAOYSA-N 1 2 297.280 2.722 50 0 CFAALO c1ccc(CC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000020254898 171108275 /nfs/dbraw/zinc/10/82/75/171108275.db2.gz RATLBTUZAOBOCS-GOSISDBHSA-N 1 2 282.387 2.915 50 0 CFAALO c1ccc(CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000020254898 171108276 /nfs/dbraw/zinc/10/82/76/171108276.db2.gz RATLBTUZAOBOCS-GOSISDBHSA-N 1 2 282.387 2.915 50 0 CFAALO Cc1cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cs1 ZINC000020514390 171231470 /nfs/dbraw/zinc/23/14/70/171231470.db2.gz BYLGOPXFMCVLLJ-UHFFFAOYSA-N 1 2 290.388 2.608 50 0 CFAALO CC[C@@H](C)Oc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000020653266 171268862 /nfs/dbraw/zinc/26/88/62/171268862.db2.gz PZJGIZYAQQNUFB-CQSZACIVSA-N 1 2 279.380 2.575 50 0 CFAALO COc1cccc(C[C@H]2C[N@H+](Cc3ccoc3)CCO2)c1 ZINC000020774165 171271990 /nfs/dbraw/zinc/27/19/90/171271990.db2.gz DEGVNECOWZUIOW-KRWDZBQOSA-N 1 2 287.359 2.732 50 0 CFAALO COc1cccc(C[C@H]2C[N@@H+](Cc3ccoc3)CCO2)c1 ZINC000020774165 171271993 /nfs/dbraw/zinc/27/19/93/171271993.db2.gz DEGVNECOWZUIOW-KRWDZBQOSA-N 1 2 287.359 2.732 50 0 CFAALO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000022238438 171380698 /nfs/dbraw/zinc/38/06/98/171380698.db2.gz UHHIMNVXSUZVEA-NSHDSACASA-N 1 2 298.839 2.595 50 0 CFAALO Cc1[nH]ncc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000035273926 172094143 /nfs/dbraw/zinc/09/41/43/172094143.db2.gz IDLNEXGQDVWPOB-UHFFFAOYSA-N 1 2 267.279 2.609 50 0 CFAALO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)sn1 ZINC000038680622 174151879 /nfs/dbraw/zinc/15/18/79/174151879.db2.gz QHLZNFSPTYWWPC-UHFFFAOYSA-N 1 2 298.371 2.949 50 0 CFAALO COc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1OC ZINC000040161695 174196034 /nfs/dbraw/zinc/19/60/34/174196034.db2.gz UXVIYSDKWHHOJO-UHFFFAOYSA-N 1 2 290.363 2.941 50 0 CFAALO COc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1OC ZINC000040161695 174196036 /nfs/dbraw/zinc/19/60/36/174196036.db2.gz UXVIYSDKWHHOJO-UHFFFAOYSA-N 1 2 290.363 2.941 50 0 CFAALO CCc1noc(C[N@H+](C)Cc2ccc(SC)cc2)n1 ZINC000040489592 174290596 /nfs/dbraw/zinc/29/05/96/174290596.db2.gz FDJFUUUYYJXEHF-UHFFFAOYSA-N 1 2 277.393 2.986 50 0 CFAALO CCc1noc(C[N@@H+](C)Cc2ccc(SC)cc2)n1 ZINC000040489592 174290598 /nfs/dbraw/zinc/29/05/98/174290598.db2.gz FDJFUUUYYJXEHF-UHFFFAOYSA-N 1 2 277.393 2.986 50 0 CFAALO CC[C@H](C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000040539123 174321576 /nfs/dbraw/zinc/32/15/76/174321576.db2.gz ARXQXKGXKRHNFN-LBPRGKRZSA-N 1 2 263.385 2.590 50 0 CFAALO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCSCC1 ZINC000040540666 174322639 /nfs/dbraw/zinc/32/26/39/174322639.db2.gz PJZQVUNBNGAKFK-NSHDSACASA-N 1 2 275.377 2.846 50 0 CFAALO Cc1cc(F)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000043421603 175039011 /nfs/dbraw/zinc/03/90/11/175039011.db2.gz XGRNXDJIFGASAW-UHFFFAOYSA-N 1 2 276.315 2.542 50 0 CFAALO COCC[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000044711536 175235965 /nfs/dbraw/zinc/23/59/65/175235965.db2.gz AXGNBVQNXMSGRZ-UHFFFAOYSA-N 1 2 287.363 2.596 50 0 CFAALO COCC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000044711536 175235967 /nfs/dbraw/zinc/23/59/67/175235967.db2.gz AXGNBVQNXMSGRZ-UHFFFAOYSA-N 1 2 287.363 2.596 50 0 CFAALO CC(C)=C[C@H]1[C@@H](C(=O)NCCCn2cc[nH+]c2)C1(C)C ZINC000049083563 175463004 /nfs/dbraw/zinc/46/30/04/175463004.db2.gz XBAQGFXHFZLHES-KBPBESRZSA-N 1 2 275.396 2.628 50 0 CFAALO CCOc1ccccc1-c1[nH+]ccn1CCN1CCCC1=O ZINC000071757031 176260689 /nfs/dbraw/zinc/26/06/89/176260689.db2.gz WHGMJGILCSKRMK-UHFFFAOYSA-N 1 2 299.374 2.571 50 0 CFAALO 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/nfs/dbraw/zinc/56/48/79/373564879.db2.gz OOSRNKCEJAJAMP-UHFFFAOYSA-N 1 2 286.778 2.779 50 0 CFAALO CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000058420308 373657190 /nfs/dbraw/zinc/65/71/90/373657190.db2.gz PSWZBCPPVMZUIL-UHFFFAOYSA-N 1 2 293.720 2.896 50 0 CFAALO CSc1ncc(C[N@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000065369887 373859330 /nfs/dbraw/zinc/85/93/30/373859330.db2.gz RHUGKVGIJUOJKA-LLVKDONJSA-N 1 2 274.393 2.787 50 0 CFAALO CSc1ncc(C[N@@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000065369887 373859336 /nfs/dbraw/zinc/85/93/36/373859336.db2.gz RHUGKVGIJUOJKA-LLVKDONJSA-N 1 2 274.393 2.787 50 0 CFAALO CC(C)c1nc(CN(C)c2cc(N(C)C)[nH+]cn2)cs1 ZINC000065407247 373868244 /nfs/dbraw/zinc/86/82/44/373868244.db2.gz HLPAYDLGIOHTPK-UHFFFAOYSA-N 1 2 291.424 2.759 50 0 CFAALO CC(C)c1nc(CN(C)c2cc(N(C)C)nc[nH+]2)cs1 ZINC000065407247 373868250 /nfs/dbraw/zinc/86/82/50/373868250.db2.gz HLPAYDLGIOHTPK-UHFFFAOYSA-N 1 2 291.424 2.759 50 0 CFAALO COC(=O)[C@@H]([NH2+]C1CCSCC1)c1cccc(C)c1 ZINC000065432087 373870899 /nfs/dbraw/zinc/87/08/99/373870899.db2.gz CYWXANUFSJHAIH-AWEZNQCLSA-N 1 2 279.405 2.694 50 0 CFAALO COc1ccc2[nH+]c(NCc3cnn(C)c3)ccc2c1 ZINC000065473338 373875704 /nfs/dbraw/zinc/87/57/04/373875704.db2.gz ZVIMQGANPJDDPW-UHFFFAOYSA-N 1 2 268.320 2.589 50 0 CFAALO CCOc1ccc(-c2[nH]cc[nH+]2)cc1COC(C)=O ZINC000067817761 374004592 /nfs/dbraw/zinc/00/45/92/374004592.db2.gz JGJMBJXLYHEKRY-UHFFFAOYSA-N 1 2 260.293 2.539 50 0 CFAALO CN(Cc1c[nH]nc1C1CCCCC1)Cc1[nH]cc[nH+]1 ZINC000067490462 373981233 /nfs/dbraw/zinc/98/12/33/373981233.db2.gz SULIKGMHUJUXDW-UHFFFAOYSA-N 1 2 273.384 2.813 50 0 CFAALO O=C(CCc1cccs1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069738324 374091821 /nfs/dbraw/zinc/09/18/21/374091821.db2.gz YLESWJQIWYTYEZ-CYBMUJFWSA-N 1 2 289.404 2.741 50 0 CFAALO CCn1c(C)nnc1SCc1cn2cccc(C)c2[nH+]1 ZINC000069774092 374096209 /nfs/dbraw/zinc/09/62/09/374096209.db2.gz IEBZZYPPDPGFBT-UHFFFAOYSA-N 1 2 287.392 2.855 50 0 CFAALO Cc1c2cccc(F)c2oc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070980424 374210231 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374242117 /nfs/dbraw/zinc/24/21/17/374242117.db2.gz VIHCPRZKXLQICW-LLVKDONJSA-N 1 2 290.367 2.562 50 0 CFAALO CCc1cnc(C[N@H+]2CCC[C@@H](c3noc(CC)n3)C2)o1 ZINC000072299814 374242121 /nfs/dbraw/zinc/24/21/21/374242121.db2.gz VIHCPRZKXLQICW-LLVKDONJSA-N 1 2 290.367 2.562 50 0 CFAALO C[C@@H]1C[N@H+](Cc2ccno2)[C@H](c2ccccc2)CO1 ZINC000072896808 374299729 /nfs/dbraw/zinc/29/97/29/374299729.db2.gz LTYYVWQOVIKZSE-DOMZBBRYSA-N 1 2 258.321 2.637 50 0 CFAALO C[C@@H]1C[N@@H+](Cc2ccno2)[C@H](c2ccccc2)CO1 ZINC000072896808 374299732 /nfs/dbraw/zinc/29/97/32/374299732.db2.gz LTYYVWQOVIKZSE-DOMZBBRYSA-N 1 2 258.321 2.637 50 0 CFAALO CC(C)Oc1ccc(C[NH+]2CC(n3cccn3)C2)cc1 ZINC000075133184 374458954 /nfs/dbraw/zinc/45/89/54/374458954.db2.gz ODIYKNGCTOBXNK-UHFFFAOYSA-N 1 2 271.364 2.727 50 0 CFAALO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccncc1 ZINC000075915564 374512659 /nfs/dbraw/zinc/51/26/59/374512659.db2.gz KMFQPMVLRIOFEE-UHFFFAOYSA-N 1 2 292.386 2.958 50 0 CFAALO O=C(NCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC=CCC1 ZINC000081013070 374681064 /nfs/dbraw/zinc/68/10/64/374681064.db2.gz RHAHKATUZBMCLG-INIZCTEOSA-N 1 2 295.386 2.904 50 0 CFAALO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000084199803 374768829 /nfs/dbraw/zinc/76/88/29/374768829.db2.gz IVPNCKLNTJPLFM-LBPRGKRZSA-N 1 2 297.424 2.584 50 0 CFAALO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000084199803 374768837 /nfs/dbraw/zinc/76/88/37/374768837.db2.gz IVPNCKLNTJPLFM-LBPRGKRZSA-N 1 2 297.424 2.584 50 0 CFAALO CC(C)c1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000089893475 374964712 /nfs/dbraw/zinc/96/47/12/374964712.db2.gz RAYLKTKBAYVHDP-UHFFFAOYSA-N 1 2 258.325 2.855 50 0 CFAALO O=C(Nc1cccs1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000253471982 189993217 /nfs/dbraw/zinc/99/32/17/189993217.db2.gz HHFIOBIHGAGAQB-GFCCVEGCSA-N 1 2 289.360 2.828 50 0 CFAALO CCc1ccc([C@@H]2COCCN2CCCn2cc[nH+]c2)o1 ZINC000095462705 375456298 /nfs/dbraw/zinc/45/62/98/375456298.db2.gz YEGGQHSBQXCLRA-HNNXBMFYSA-N 1 2 289.379 2.502 50 0 CFAALO COC(=O)C[N@H+](C)[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000095459797 375457265 /nfs/dbraw/zinc/45/72/65/375457265.db2.gz GXAOQXYKRPWYCG-CYBMUJFWSA-N 1 2 284.359 2.914 50 0 CFAALO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000095459797 375457269 /nfs/dbraw/zinc/45/72/69/375457269.db2.gz GXAOQXYKRPWYCG-CYBMUJFWSA-N 1 2 284.359 2.914 50 0 CFAALO CC[C@H](NC(=O)Nc1cccnc1F)c1[nH]cc(C)[nH+]1 ZINC000096167147 375473814 /nfs/dbraw/zinc/47/38/14/375473814.db2.gz GMAAZIYZFLHHCO-VIFPVBQESA-N 1 2 277.303 2.525 50 0 CFAALO CCc1cc(NCCCn2nc(C)c(C)c2C)nc[nH+]1 ZINC000095357218 375420366 /nfs/dbraw/zinc/42/03/66/375420366.db2.gz XIPUVNJAHDBMEX-UHFFFAOYSA-N 1 2 273.384 2.663 50 0 CFAALO Cc1[nH+]cnc(NC[C@@H](O)c2ccc(Cl)cc2)c1C ZINC000095362843 375421433 /nfs/dbraw/zinc/42/14/33/375421433.db2.gz DRXSVOPSIZMLSS-CYBMUJFWSA-N 1 2 277.755 2.892 50 0 CFAALO CCCc1nnc(N[C@H](C)Cc2cccc(C)[nH+]2)o1 ZINC000095363014 375421750 /nfs/dbraw/zinc/42/17/50/375421750.db2.gz OYBRAONQDIQFDK-LLVKDONJSA-N 1 2 260.341 2.769 50 0 CFAALO CC(C)Cn1c[nH+]cc1Cn1cccc(C(F)(F)F)c1=O ZINC000095371565 375423402 /nfs/dbraw/zinc/42/34/02/375423402.db2.gz HMSKGNQLPKHMRK-UHFFFAOYSA-N 1 2 299.296 2.768 50 0 CFAALO CCCc1nnc(NCc2cn3ccc(C)cc3[nH+]2)o1 ZINC000095392494 375429311 /nfs/dbraw/zinc/42/93/11/375429311.db2.gz FPOUFPNBAJJLLY-UHFFFAOYSA-N 1 2 271.324 2.590 50 0 CFAALO CC(C)(C)S(=O)(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000095404040 375433198 /nfs/dbraw/zinc/43/31/98/375433198.db2.gz YUOFOPXRKZOSEC-UHFFFAOYSA-N 1 2 292.404 2.763 50 0 CFAALO Cc1ccc(C[NH+]2CCN([C@H](C)c3ccccn3)CC2)o1 ZINC000097143337 375530020 /nfs/dbraw/zinc/53/00/20/375530020.db2.gz KXFXAUFINFTPQC-OAHLLOKOSA-N 1 2 285.391 2.862 50 0 CFAALO Cc1ccc(CN2CC[NH+]([C@H](C)c3ccccn3)CC2)o1 ZINC000097143337 375530026 /nfs/dbraw/zinc/53/00/26/375530026.db2.gz KXFXAUFINFTPQC-OAHLLOKOSA-N 1 2 285.391 2.862 50 0 CFAALO Cc1ncccc1C[NH+]1CCN([C@@H](C)c2ccccn2)CC1 ZINC000097143340 375530421 /nfs/dbraw/zinc/53/04/21/375530421.db2.gz IPQICQRSWFUGBK-INIZCTEOSA-N 1 2 296.418 2.664 50 0 CFAALO Cc1ccc2[nH+]cc(CNc3nnc(C(C)C)o3)n2c1 ZINC000097045374 375499438 /nfs/dbraw/zinc/49/94/38/375499438.db2.gz HITNZWWTLVGUER-UHFFFAOYSA-N 1 2 271.324 2.761 50 0 CFAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)c[nH]1 ZINC000097514402 375567756 /nfs/dbraw/zinc/56/77/56/375567756.db2.gz WUDIWUGLNWBZHO-GFCCVEGCSA-N 1 2 294.786 2.709 50 0 CFAALO CC[N@H+](Cc1ccccc1Cl)[C@H](C)CS(C)(=O)=O ZINC000112618628 375938541 /nfs/dbraw/zinc/93/85/41/375938541.db2.gz WRNYJNGODPEUPE-LLVKDONJSA-N 1 2 289.828 2.595 50 0 CFAALO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)CS(C)(=O)=O ZINC000112618628 375938545 /nfs/dbraw/zinc/93/85/45/375938545.db2.gz WRNYJNGODPEUPE-LLVKDONJSA-N 1 2 289.828 2.595 50 0 CFAALO OC[C@H]1CCCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000129963962 377495015 /nfs/dbraw/zinc/49/50/15/377495015.db2.gz DHVTWDIIVNDZDC-OLZOCXBDSA-N 1 2 261.369 2.707 50 0 CFAALO COc1ccccc1[C@@H]([NH2+]Cc1cnn(C)c1)c1ccco1 ZINC000151104573 378294273 /nfs/dbraw/zinc/29/42/73/378294273.db2.gz TUJXWTNIKVMLGD-QGZVFWFLSA-N 1 2 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ZINC000048248275 420503686 /nfs/dbraw/zinc/50/36/86/420503686.db2.gz AIHKIBQQRRZGNY-UHFFFAOYSA-N 1 2 298.390 2.920 50 0 CFAALO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC(F)(F)C2)CC1 ZINC000071257254 277180947 /nfs/dbraw/zinc/18/09/47/277180947.db2.gz XMIILQYXWZXEHK-UHFFFAOYSA-N 1 2 290.354 2.727 50 0 CFAALO CC(C)(C)OC(=O)N1CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC000071257254 277180948 /nfs/dbraw/zinc/18/09/48/277180948.db2.gz XMIILQYXWZXEHK-UHFFFAOYSA-N 1 2 290.354 2.727 50 0 CFAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(F)(F)CC1 ZINC000097674051 280178104 /nfs/dbraw/zinc/17/81/04/280178104.db2.gz IYBZCKJFCJXFBC-UHFFFAOYSA-N 1 2 291.301 2.744 50 0 CFAALO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H](C)O1 ZINC000020938361 288210523 /nfs/dbraw/zinc/21/05/23/288210523.db2.gz GRSQIZMJKQIENE-PHIMTYICSA-N 1 2 297.782 2.816 50 0 CFAALO C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H](C)O1 ZINC000020938361 288210524 /nfs/dbraw/zinc/21/05/24/288210524.db2.gz GRSQIZMJKQIENE-PHIMTYICSA-N 1 2 297.782 2.816 50 0 CFAALO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nccn2C)cn1 ZINC000537115861 281532729 /nfs/dbraw/zinc/53/27/29/281532729.db2.gz VZFPJQDOLUYYKX-NWDGAFQWSA-N 1 2 261.373 2.609 50 0 CFAALO Clc1cc(I)c2[nH+]ccn2c1 ZINC000014008085 294101169 /nfs/dbraw/zinc/10/11/69/294101169.db2.gz LQBOHSOOZOQOTB-UHFFFAOYSA-N 1 2 278.480 2.592 50 0 CFAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)[C@@H]1CCc2ccccc21 ZINC000534590920 328317971 /nfs/dbraw/zinc/31/79/71/328317971.db2.gz MQTXQPUGLQWREO-MRXNPFEDSA-N 1 2 295.386 2.510 50 0 CFAALO Cc1c[nH]c([C@H](C)NC(=O)c2ccccc2N2CCCC2)[nH+]1 ZINC000534592620 328318722 /nfs/dbraw/zinc/31/87/22/328318722.db2.gz HJKFCFVXMRDVNZ-ZDUSSCGKSA-N 1 2 298.390 2.809 50 0 CFAALO CCC[C@H](NC(=O)c1ccc(CC)[nH]1)c1[nH+]ccn1C ZINC000534639438 328335368 /nfs/dbraw/zinc/33/53/68/328335368.db2.gz TXDXAZSBFQOEEE-LBPRGKRZSA-N 1 2 274.368 2.582 50 0 CFAALO