smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH]c(SCc3[nH]nc4ccccc43)nc2c1 ZINC000040422316 183064713 /nfs/dbraw/zinc/06/47/13/183064713.db2.gz JCHABRQKSUKSNP-UHFFFAOYSA-N 0 1 310.382 3.740 1 0 DHAFMN c1ccc(CNc2ncnc3[nH]c(-c4ccccc4)nc32)cc1 ZINC000058506145 184120879 /nfs/dbraw/zinc/12/08/79/184120879.db2.gz RSXORTMIOUUTCK-UHFFFAOYSA-N 0 1 301.353 3.632 1 0 DHAFMN CC(=O)c1ccc2cc([C@](O)(c3cnc[nH]3)C(C)C)ccc2c1 ZINC000066076894 184387084 /nfs/dbraw/zinc/38/70/84/184387084.db2.gz HVVULDASPWETLY-IBGZPJMESA-N 0 1 308.381 3.657 1 0 DHAFMN CCCCCC(O)=CC(=O)CCc1ccc(O)c2c1CCCO2 ZINC000085627220 560069038 /nfs/dbraw/zinc/06/90/38/560069038.db2.gz IJGLAIOALWMVKI-UHFFFAOYSA-N 0 1 318.413 3.758 1 0 biogenic,in-vitro DHAFMN CCCC[C@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)[O-] ZINC000072109015 191037574 /nfs/dbraw/zinc/03/75/74/191037574.db2.gz KLZOBIRHWKLWSZ-INIZCTEOSA-N 0 1 321.417 3.501 1 0 DHAFMN O=C(Oc1cccc(-c2ccccc2)c1)N1CCN2CCC1CC2 ZINC000043059329 183332515 /nfs/dbraw/zinc/33/25/15/183332515.db2.gz AVUBBCJSYRFMJV-UHFFFAOYSA-N 0 1 322.408 3.632 1 0 DHAFMN CC(C)(C)c1cc(C=C2OC(=O)NC2=O)cc(C(C)(C)C)c1O ZINC000013734202 581095006 /nfs/dbraw/zinc/09/50/06/581095006.db2.gz JBRIUIQTRLLQOW-LCYFTJDESA-N 0 1 317.385 3.595 1 0 DHAFMN COc1cc(C=Cc2cc(-c3ccc(O)cc3)[nH]n2)ccc1O ZINC000096915984 185391377 /nfs/dbraw/zinc/39/13/77/185391377.db2.gz KFFPFTNGFSLGNH-QHHAFSJGSA-N 0 1 308.337 3.667 1 0 DHAFMN COc1ccc(-c2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2)cc1 ZINC000071316865 190956889 /nfs/dbraw/zinc/95/68/89/190956889.db2.gz OYDIXDAQFNMWOW-HXUWFJFHSA-N 0 1 322.408 3.977 1 0 DHAFMN CC(=O)c1cc(C=CC(C)(C)O)c(O)c(C(=O)CC(C)C)c1 ZINC000014455731 290920775 /nfs/dbraw/zinc/92/07/75/290920775.db2.gz PWVHOWFSWUREIY-VOTSOKGWSA-N 0 1 304.386 3.608 1 0 biogenic,in-vitro DHAFMN Cc1ccc2c(O)c(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2n1 ZINC000040380053 183058501 /nfs/dbraw/zinc/05/85/01/183058501.db2.gz IEBPNCJONPVRGL-LBPRGKRZSA-N 0 1 324.355 3.879 1 0 DHAFMN c1n[nH]cc1-c1ccc2nc([C@H]3COc4ccccc4C3)[nH]c2c1 ZINC000040860565 183143859 /nfs/dbraw/zinc/14/38/59/183143859.db2.gz HXRUCDRLUOIELR-CQSZACIVSA-N 0 1 316.364 3.672 1 0 DHAFMN c1ccc(CN2CCc3c(ccnc3Nc3cccnc3)C2)cc1 ZINC000139955948 186024444 /nfs/dbraw/zinc/02/44/44/186024444.db2.gz GWNZQLUGXZVPTG-UHFFFAOYSA-N 0 1 316.408 3.779 1 0 DHAFMN C[C@]12CC[C@H](c3cc(F)c(O)c(F)c3F)C[C@H]1CC[C@@H]2O ZINC000066102049 184389491 /nfs/dbraw/zinc/38/94/91/184389491.db2.gz YBEWPYOAFFTAGI-YFESCLGYSA-N 0 1 300.320 3.854 1 0 in-vitro DHAFMN CCN1CCN(C2=Nc3ccccc3Nc3cscc32)CC1 ZINC000039241376 183015577 /nfs/dbraw/zinc/01/55/77/183015577.db2.gz FMJGUTVIAIMZCZ-UHFFFAOYSA-N 0 1 312.442 3.521 1 0 DHAFMN Cc1ccc2c(O)c(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2n1 ZINC000040380054 183058696 /nfs/dbraw/zinc/05/86/96/183058696.db2.gz IEBPNCJONPVRGL-GFCCVEGCSA-N 0 1 324.355 3.879 1 0 DHAFMN CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc(O)cc1 ZINC000040876063 183145162 /nfs/dbraw/zinc/14/51/62/183145162.db2.gz PIIUJRTVLCEDFP-UHFFFAOYSA-N 0 1 308.333 3.682 1 0 DHAFMN Cc1ccc2cc(NC(=O)[C@]3(C)CCN3CC(C)C)ccc2n1 ZINC000061907090 184194655 /nfs/dbraw/zinc/19/46/55/184194655.db2.gz QMJATAHUAZLLIN-IBGZPJMESA-N 0 1 311.429 3.602 3 0 DHAFMN COc1cccc(C=Cc2cc(-c3ccc(O)c(OC)c3)[nH]n2)c1 ZINC000096915997 185391454 /nfs/dbraw/zinc/39/14/54/185391454.db2.gz NFEALQPLJFIEPA-SOFGYWHQSA-N 0 1 322.364 3.970 1 0 DHAFMN Cc1ccc(NC(=O)[C@@]2(C)CCN2C2Cc3ccccc3C2)cc1 ZINC000061906346 184194207 /nfs/dbraw/zinc/19/42/07/184194207.db2.gz RINDRUVVDTYUSK-OAQYLSRUSA-N 0 1 320.436 3.565 3 0 DHAFMN C[NH+]1CCN(c2ccc(Oc3ccc(Cl)cc3[O-])cc2)CC1 ZINC000095603569 185382461 /nfs/dbraw/zinc/38/24/61/185382461.db2.gz MZHIMYOTMBAACU-UHFFFAOYSA-N 0 1 318.804 3.590 1 0 DHAFMN CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCO ZINC000072126083 191042125 /nfs/dbraw/zinc/04/21/25/191042125.db2.gz NCESCCJUVDLGLG-QGZVFWFLSA-N 0 1 300.789 3.787 1 0 DHAFMN Nc1nccc(-n2cc(-c3ccccc3Cl)c3cnccc32)n1 ZINC000095601118 185382439 /nfs/dbraw/zinc/38/24/39/185382439.db2.gz DGPFURGWWCIZHR-UHFFFAOYSA-N 0 1 321.771 3.718 1 0 DHAFMN Cc1cc2nc(C(=O)NC3C4CC5CC(C4)CC3C5)[nH]c2c(C)c1 ZINC000095605224 185382621 /nfs/dbraw/zinc/38/26/21/185382621.db2.gz UAULOWALKUUWOP-UHFFFAOYSA-N 0 1 323.440 3.734 1 0 DHAFMN COc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000072108159 191037744 /nfs/dbraw/zinc/03/77/44/191037744.db2.gz GJEOIYRANHOVOO-UHFFFAOYSA-N 0 1 302.713 3.828 1 0 DHAFMN Cc1cc(CN(C)Cc2csc(-c3cccs3)n2)n[nH]1 ZINC000019789322 182149032 /nfs/dbraw/zinc/14/90/32/182149032.db2.gz IAYOTMMKOKXMAE-UHFFFAOYSA-N 0 1 304.444 3.535 1 0 DHAFMN Fc1ccc(-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1F ZINC000102662755 526315218 /nfs/dbraw/zinc/31/52/18/526315218.db2.gz DHGHGALHAUPQNL-ABAIWWIYSA-N 0 1 322.380 3.624 1 0 DHAFMN COc1cc(-c2cc(C=Cc3ccc(O)cc3)n[nH]2)ccc1O ZINC000096915993 185391525 /nfs/dbraw/zinc/39/15/25/185391525.db2.gz JSKPOKGZGGYZOE-QHHAFSJGSA-N 0 1 308.337 3.667 1 0 DHAFMN CC(=O)CCCCCCCCCCc1c(O)ccc(C)[n+]1[O-] ZINC000014490921 290920530 /nfs/dbraw/zinc/92/05/30/290920530.db2.gz NXOSJVNWDRQXAO-UHFFFAOYSA-N 0 1 307.434 3.976 1 0 biogenic,in-vitro DHAFMN CC(C)c1ccc(NC(=O)Nc2nc([C@H](C)N)cs2)cc1 ZINC000061906575 184194799 /nfs/dbraw/zinc/19/47/99/184194799.db2.gz GEAHTTHEUFDJOQ-JTQLQIEISA-N 0 1 304.419 3.930 3 0 DHAFMN Cc1cc2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2c(C)c1 ZINC000095604162 185382317 /nfs/dbraw/zinc/38/23/17/185382317.db2.gz PFMGNNMQDSDSKD-UHFFFAOYSA-N 0 1 323.440 3.878 1 0 DHAFMN CCOC(=O)Nc1cc2nc(-c3cc(C)cc(C)c3)[nH]c2c(N)c1 ZINC000096928359 185392363 /nfs/dbraw/zinc/39/23/63/185392363.db2.gz OEXLKDGQRUFSFG-UHFFFAOYSA-N 0 1 324.384 3.997 1 0 DHAFMN CC(C)(C)Nc1c(-c2ccc(C(=O)[O-])cc2)[nH+]c2ccccn21 ZINC000073196907 191290532 /nfs/dbraw/zinc/29/05/32/191290532.db2.gz IUOQJYAQYVEYIT-UHFFFAOYSA-N 0 1 309.369 3.910 1 0 DHAFMN CC(C)NC(=O)[C@@]1(C)CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000061907709 184194691 /nfs/dbraw/zinc/19/46/91/184194691.db2.gz PTYDGCPGLCCOCR-OAQYLSRUSA-N 0 1 322.452 3.843 3 0 DHAFMN c1nc2cc(-c3nnc(SCc4ccccc4)o3)ccc2[nH]1 ZINC000005626380 181265632 /nfs/dbraw/zinc/26/56/32/181265632.db2.gz KENKFSUYPQBEGQ-UHFFFAOYSA-N 0 1 308.366 3.905 1 0 DHAFMN CC1(C)C[C@@]2(CN(Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979114 183154583 /nfs/dbraw/zinc/15/45/83/183154583.db2.gz QQYBBCAZZVHXCC-OAQYLSRUSA-N 0 1 323.436 3.975 1 0 DHAFMN CSc1nc2cc(Cl)c(C(=O)N3CCC(C)CC3)cc2[nH]1 ZINC000042889574 183316804 /nfs/dbraw/zinc/31/68/04/183316804.db2.gz ZSBCTSACEKRKFP-UHFFFAOYSA-N 0 1 323.849 3.810 1 0 DHAFMN COc1cc(C=Cc2n[nH]c3c2Cc2ccccc2-3)ccc1O ZINC000043067450 183333642 /nfs/dbraw/zinc/33/36/42/183333642.db2.gz BCWZYGBFCIHXQS-SOFGYWHQSA-N 0 1 304.349 3.866 1 0 DHAFMN CC(C)c1ccc(NC(=O)Nc2nc([C@@H](C)N)cs2)cc1 ZINC000061906574 184194762 /nfs/dbraw/zinc/19/47/62/184194762.db2.gz GEAHTTHEUFDJOQ-SNVBAGLBSA-N 0 1 304.419 3.930 3 0 DHAFMN c1cc(CN2CCN(c3ccccc3)CC2)n(-c2ccccc2)c1 ZINC000028111538 134670439 /nfs/dbraw/zinc/67/04/39/134670439.db2.gz PDPMXFHMDDUMAC-UHFFFAOYSA-N 0 1 317.436 3.800 1 0 DHAFMN O=C1C2C(=NN1c1nc3ccccc3s1)CCc1ccccc12 ZINC000101463414 193814535 /nfs/dbraw/zinc/81/45/35/193814535.db2.gz ULLPFSLRPLXCBV-UHFFFAOYSA-N 0 1 319.389 3.953 1 0 DHAFMN COc1ccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)cc1 ZINC000040425062 183065109 /nfs/dbraw/zinc/06/51/09/183065109.db2.gz APIZGYZGMSPZSW-LFIBNONCSA-N 0 1 308.337 3.628 1 0 DHAFMN FC(F)(F)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1 ZINC000013607451 134514056 /nfs/dbraw/zinc/51/40/56/134514056.db2.gz MHWHBMVPYRSQGR-UHFFFAOYSA-N 0 1 321.346 3.538 1 0 DHAFMN CC(=O)C=C(O)CCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000005315286 181229029 /nfs/dbraw/zinc/22/90/29/181229029.db2.gz CLSZJSHYGXDSDZ-UHFFFAOYSA-N 0 1 316.184 3.650 1 0 DHAFMN COC1=CC(c2ccc[nH]2)=NC1=CN[C@@H]1CCCc2ccccc21 ZINC000058584072 184123560 /nfs/dbraw/zinc/12/35/60/184123560.db2.gz PZIOJPRWRUKWIY-YZYPPFLQSA-N 0 1 319.408 3.856 1 0 DHAFMN c1cn(Cc2ccc3c(c2)-c2n[nH]c(-c4ccsc4)c2C3)cn1 ZINC000036338892 581091347 /nfs/dbraw/zinc/09/13/47/581091347.db2.gz AQFXVMZZFFFSCG-UHFFFAOYSA-N 0 1 318.405 3.954 1 0 DHAFMN CC(C)NC(=O)[C@]1(C)CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000061907708 184194733 /nfs/dbraw/zinc/19/47/33/184194733.db2.gz PTYDGCPGLCCOCR-NRFANRHFSA-N 0 1 322.452 3.843 3 0 DHAFMN Cc1ccc(NC(=O)[C@]2(C)CCN2CCc2ccccc2)cc1 ZINC000061896455 184193125 /nfs/dbraw/zinc/19/31/25/184193125.db2.gz LZTGSRKYTSOSAV-FQEVSTJZSA-N 0 1 308.425 3.641 3 0 DHAFMN CC(=O)c1ccc2cc([C@@](O)(c3cnc[nH]3)C(C)C)ccc2c1 ZINC000066076892 184387219 /nfs/dbraw/zinc/38/72/19/184387219.db2.gz HVVULDASPWETLY-LJQANCHMSA-N 0 1 308.381 3.657 1 0 DHAFMN CCN1CCN(C(C)C)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000022851030 182336688 /nfs/dbraw/zinc/33/66/88/182336688.db2.gz WXNVFYIBELASJW-UYAOXDASSA-N 0 1 311.473 3.809 1 0 DHAFMN CCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 ZINC000038960203 183013390 /nfs/dbraw/zinc/01/33/90/183013390.db2.gz TZFHMCQDGSMNOH-UHFFFAOYSA-N 0 1 312.369 3.831 1 0 DHAFMN Cc1cc(Cl)ccc1NC(=O)CCCC(O)=C1CCCC1=O ZINC000000408396 563252167 /nfs/dbraw/zinc/25/21/67/563252167.db2.gz YKLYBPLZJGHCBA-CYBMUJFWSA-N 0 1 321.804 3.696 1 0 DHAFMN CCN1CCN(Cc2coc(-c3cccc4ccccc43)n2)CC1 ZINC000072185696 191073829 /nfs/dbraw/zinc/07/38/29/191073829.db2.gz ADKCQZCKTXQQON-UHFFFAOYSA-N 0 1 321.424 3.632 1 0 DHAFMN c1n[nH]cc1-c1ccc2nc([C@@H]3COc4ccccc4C3)[nH]c2c1 ZINC000040860563 183144335 /nfs/dbraw/zinc/14/43/35/183144335.db2.gz HXRUCDRLUOIELR-AWEZNQCLSA-N 0 1 316.364 3.672 1 0 DHAFMN COc1ccc(-c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1 ZINC000096906718 185390739 /nfs/dbraw/zinc/39/07/39/185390739.db2.gz CIJHERNRLIFFKI-UHFFFAOYSA-N 0 1 310.353 3.770 1 0 DHAFMN COc1ccc(C=Cc2cc(-c3ccc(O)c(OC)c3)[nH]n2)cc1 ZINC000096915994 185391404 /nfs/dbraw/zinc/39/14/04/185391404.db2.gz SYPKVJXARMZHIQ-XVNBXDOJSA-N 0 1 322.364 3.970 1 0 DHAFMN c1cc(Nc2nccc(Nc3ccc4c(c3)CCC4)n2)ccn1 ZINC000064510377 184298569 /nfs/dbraw/zinc/29/85/69/184298569.db2.gz FSIWNVBLSPDROY-UHFFFAOYSA-N 0 1 303.369 3.848 1 0 DHAFMN COc1c(=O)c2cc(O)c3occc3c2oc1-c1ccccc1 ZINC000014677203 560224132 /nfs/dbraw/zinc/22/41/32/560224132.db2.gz SIUSULOKKLUUCB-UHFFFAOYSA-N 0 1 308.289 3.920 1 0 biogenic,in-vitro DHAFMN Cc1cc(Cl)ccc1NC(=O)CCCC(O)=C1CCCC1=O ZINC000000408395 563252063 /nfs/dbraw/zinc/25/20/63/563252063.db2.gz YKLYBPLZJGHCBA-ZDUSSCGKSA-N 0 1 321.804 3.696 1 0 DHAFMN CCC(=CCN1Cc2cc(C)cc3[nH]c(=O)n(c32)C[C@@H]1C)CC ZINC000005964747 181301643 /nfs/dbraw/zinc/30/16/43/181301643.db2.gz FRQXZJLDAFHXAZ-AWEZNQCLSA-N 0 1 313.445 3.589 1 0 DHAFMN CC(C)CN[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184515 191072038 /nfs/dbraw/zinc/07/20/38/191072038.db2.gz DAZUVWQYSREBBL-OAHLLOKOSA-N 0 1 309.335 3.830 1 0 DHAFMN COCCN(Cc1coc(-c2cccc(C)c2)n1)C(C)(C)C ZINC000072183510 191072778 /nfs/dbraw/zinc/07/27/78/191072778.db2.gz KZCFHKSCUJGERF-UHFFFAOYSA-N 0 1 302.418 3.897 1 0 DHAFMN Cc1ccc(-n2nc3c4cccc(Cl)c4[nH]cc-3c2=O)s1 ZINC000148653527 186045881 /nfs/dbraw/zinc/04/58/81/186045881.db2.gz HIUNMHMFVNBFPT-UHFFFAOYSA-N 0 1 315.785 3.890 1 0 DHAFMN O=C(c1cc(-c2ccc(Cl)cc2Cl)[nH]n1)N1CCCC1 ZINC000064622670 184301726 /nfs/dbraw/zinc/30/17/26/184301726.db2.gz KQJKUKADNUVJLO-UHFFFAOYSA-N 0 1 310.184 3.620 1 0 DHAFMN O=S(=O)(Nc1ccccc1)c1ccc2nc3cc[nH]cc-3c2c1 ZINC000040878235 183145462 /nfs/dbraw/zinc/14/54/62/183145462.db2.gz WJZWRVSOXKGPEM-UHFFFAOYSA-N 0 1 323.377 3.517 1 0 DHAFMN COc1ccc(-c2csc(Nc3ccncc3)n2)cc1OC ZINC000066099007 184389323 /nfs/dbraw/zinc/38/93/23/184389323.db2.gz IICOOWMZXGQILI-UHFFFAOYSA-N 0 1 313.382 3.966 1 0 DHAFMN COc1cc(C=Cc2cc(-c3ccc(O)cc3)[nH]n2)cc(OC)c1 ZINC000096915989 185391578 /nfs/dbraw/zinc/39/15/78/185391578.db2.gz YIPVRFPTDOALOV-ZZXKWVIFSA-N 0 1 322.364 3.970 1 0 DHAFMN CCCCN1CCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927318 185392114 /nfs/dbraw/zinc/39/21/14/185392114.db2.gz HHKSHLVSGQWALT-CQSZACIVSA-N 0 1 314.351 3.908 1 0 DHAFMN CN1CCc2cc(Cl)c3n[nH]cc3c2[C@@H](c2ccccc2)C1 ZINC000003820068 181047259 /nfs/dbraw/zinc/04/72/59/181047259.db2.gz LVAOPAQJSCZOOM-OAHLLOKOSA-N 0 1 311.816 3.836 1 0 DHAFMN Cc1n[nH]cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000020784200 182247319 /nfs/dbraw/zinc/24/73/19/182247319.db2.gz JOTGIGSUKDIYTF-UHFFFAOYSA-N 0 1 319.324 3.622 1 0 DHAFMN Cc1ccc(NC(=O)[C@]2(C)CCN2C2Cc3ccccc3C2)cc1 ZINC000061906345 184194292 /nfs/dbraw/zinc/19/42/92/184194292.db2.gz RINDRUVVDTYUSK-NRFANRHFSA-N 0 1 320.436 3.565 3 0 DHAFMN N[C@@H](c1csc(Nc2ccccn2)n1)c1ccccc1Cl ZINC000061930350 184196151 /nfs/dbraw/zinc/19/61/51/184196151.db2.gz KBSCDZWOAJPMAG-CQSZACIVSA-N 0 1 316.817 3.983 3 0 DHAFMN Cc1ccc(NC(=O)[C@@]2(C)CCN2CCc2ccccc2)cc1 ZINC000061896457 184193218 /nfs/dbraw/zinc/19/32/18/184193218.db2.gz LZTGSRKYTSOSAV-HXUWFJFHSA-N 0 1 308.425 3.641 3 0 DHAFMN Fc1ccc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1F ZINC000102662756 526314862 /nfs/dbraw/zinc/31/48/62/526314862.db2.gz DHGHGALHAUPQNL-IAQYHMDHSA-N 0 1 322.380 3.624 1 0 DHAFMN Nc1nccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)n1 ZINC000013798207 581098369 /nfs/dbraw/zinc/09/83/69/581098369.db2.gz GOUYNVPPUCUZSS-UHFFFAOYSA-N 0 1 313.364 3.783 1 0 DHAFMN CC(C)CN[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184514 191072636 /nfs/dbraw/zinc/07/26/36/191072636.db2.gz DAZUVWQYSREBBL-HNNXBMFYSA-N 0 1 309.335 3.830 1 0 DHAFMN CCCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3 ZINC000040934132 183149417 /nfs/dbraw/zinc/14/94/17/183149417.db2.gz JQZDCSZYILWJAG-QGZVFWFLSA-N 0 1 309.409 3.933 1 0 DHAFMN CN1CCC2(CC1)c1ccccc1Oc1ccc(F)cc1C2=O ZINC000060051738 184143155 /nfs/dbraw/zinc/14/31/55/184143155.db2.gz ZHYPOODMAXSAGM-UHFFFAOYSA-N 0 1 311.356 3.778 1 0 DHAFMN CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCO ZINC000072126082 191041668 /nfs/dbraw/zinc/04/16/68/191041668.db2.gz NCESCCJUVDLGLG-KRWDZBQOSA-N 0 1 300.789 3.787 1 0 DHAFMN C[C@H](C(=O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000029043793 182549981 /nfs/dbraw/zinc/54/99/81/182549981.db2.gz DJXXIZYLWLRREJ-MRXNPFEDSA-N 0 1 322.452 3.795 1 0 DHAFMN Cc1ccc2cc(NC(=O)[C@@]3(C)CCN3CC(C)C)ccc2n1 ZINC000061907091 184194573 /nfs/dbraw/zinc/19/45/73/184194573.db2.gz QMJATAHUAZLLIN-LJQANCHMSA-N 0 1 311.429 3.602 3 0 DHAFMN Cc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 ZINC000061926923 184196118 /nfs/dbraw/zinc/19/61/18/184196118.db2.gz PYEGJHGTQQCXQH-UHFFFAOYSA-N 0 1 313.307 3.916 3 0 DHAFMN Nc1nccc(-n2cc(-c3cccc(Cl)c3)c3cnccc32)n1 ZINC000095605060 185382613 /nfs/dbraw/zinc/38/26/13/185382613.db2.gz YWEGMYFIQUEIBO-UHFFFAOYSA-N 0 1 321.771 3.718 1 0 DHAFMN Nc1nccc(-n2cc(-c3ccc(Cl)cc3)c3cnccc32)n1 ZINC000095604486 185382649 /nfs/dbraw/zinc/38/26/49/185382649.db2.gz UQPQASRVEMBDQW-UHFFFAOYSA-N 0 1 321.771 3.718 1 0 DHAFMN CCCC[C@@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)[O-] ZINC000072109016 191037834 /nfs/dbraw/zinc/03/78/34/191037834.db2.gz KLZOBIRHWKLWSZ-MRXNPFEDSA-N 0 1 321.417 3.501 1 0 DHAFMN C[C@@H]1CN1[P@](=O)(Oc1ccc2ccccc2c1)N1C[C@@H]1C ZINC000004726170 181143013 /nfs/dbraw/zinc/14/30/13/181143013.db2.gz ZGGMATWNKPRVSC-MEBHQEIVSA-N 0 1 302.314 3.735 1 0 DHAFMN COC1=CC(c2ccc[nH]2)=NC1=CN[C@H]1CCCc2ccccc21 ZINC000064373292 184295838 /nfs/dbraw/zinc/29/58/38/184295838.db2.gz PZIOJPRWRUKWIY-UEIJICEPSA-N 0 1 319.408 3.856 1 0 DHAFMN CCCCN1CCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927319 185391959 /nfs/dbraw/zinc/39/19/59/185391959.db2.gz HHKSHLVSGQWALT-AWEZNQCLSA-N 0 1 314.351 3.908 1 0 DHAFMN CSc1nc2cc(Cl)c(C(=O)N3CCCCC3)cc2[nH]1 ZINC000040423700 183065414 /nfs/dbraw/zinc/06/54/14/183065414.db2.gz XPCPNPGQXGWXPJ-UHFFFAOYSA-N 0 1 309.822 3.564 1 0 DHAFMN CC1(C)C[C@]2(CN(Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979115 183154257 /nfs/dbraw/zinc/15/42/57/183154257.db2.gz QQYBBCAZZVHXCC-NRFANRHFSA-N 0 1 323.436 3.975 1 0 DHAFMN N[C@H](c1csc(Nc2ccccn2)n1)c1ccccc1Cl ZINC000061930349 184196223 /nfs/dbraw/zinc/19/62/23/184196223.db2.gz KBSCDZWOAJPMAG-AWEZNQCLSA-N 0 1 316.817 3.983 3 0 DHAFMN