smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1O ZINC000001166921 845002276 /nfs/dbraw/zinc/00/22/76/845002276.db2.gz AOLKMPJVAWETMW-WOJGMQOQSA-N 0 0 401.509 4.201 20 10 HICDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn4ccccc4n3)c2C)cc1 ZINC000004404981 845056199 /nfs/dbraw/zinc/05/61/99/845056199.db2.gz PLWNSQXAVNIVMK-UHFFFAOYSA-N 0 0 417.465 4.180 20 10 HICDRN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000005449764 845115643 /nfs/dbraw/zinc/11/56/43/845115643.db2.gz ZEMKVKMAVUBGJM-UHFFFAOYSA-N 0 0 418.902 4.092 20 10 HICDRN COc1ccc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000007247461 845294687 /nfs/dbraw/zinc/29/46/87/845294687.db2.gz QAVWNAHZYALRGI-OAQYLSRUSA-N 0 0 414.571 4.061 20 10 HICDRN N#CCCn1cc(C=C2SC(NC3CCCCC3)=NC2=O)c(-c2ccccc2)n1 ZINC000008322952 845513457 /nfs/dbraw/zinc/51/34/57/845513457.db2.gz JUZXLZSIROYONY-RGEXLXHISA-N 0 0 405.527 4.356 20 10 HICDRN Cc1cc(CCNC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccccc1 ZINC000010257456 845638429 /nfs/dbraw/zinc/63/84/29/845638429.db2.gz XJFYXWHWBXNWCC-UHFFFAOYSA-N 0 0 418.541 4.191 20 10 HICDRN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(Br)c(C)c1 ZINC000010733435 845700079 /nfs/dbraw/zinc/70/00/79/845700079.db2.gz QNKMAEMGYYFXMQ-UHFFFAOYSA-N 0 0 419.348 4.269 20 10 HICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000010906951 845725079 /nfs/dbraw/zinc/72/50/79/845725079.db2.gz DTJFYOQDENIXSU-UHFFFAOYSA-N 0 0 414.505 4.419 20 10 HICDRN CSc1ncc(Cl)c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000011571882 845813594 /nfs/dbraw/zinc/81/35/94/845813594.db2.gz KGWZMCCITXWYLZ-UHFFFAOYSA-N 0 0 415.902 4.299 20 10 HICDRN COc1c(Br)c([N+](=O)[O-])c(N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000014214783 845932208 /nfs/dbraw/zinc/93/22/08/845932208.db2.gz VUEYYEGRHJUOIV-UHFFFAOYSA-N 0 0 414.187 4.050 20 10 HICDRN Cc1cc(-c2cc(C(=O)NCc3ccc(N(C)C)cc3)c3c(C)noc3n2)c(C)o1 ZINC000014527364 845957265 /nfs/dbraw/zinc/95/72/65/845957265.db2.gz RLOJYGZPNZCXCV-UHFFFAOYSA-N 0 0 404.470 4.404 20 10 HICDRN Cc1nc(-c2ccccc2)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000022696870 846606061 /nfs/dbraw/zinc/60/60/61/846606061.db2.gz HRFZEOHWBLHBCK-UHFFFAOYSA-N 0 0 407.539 4.227 20 10 HICDRN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000022766317 846617927 /nfs/dbraw/zinc/61/79/27/846617927.db2.gz FAHYEMFCTCGVRK-UHFFFAOYSA-N 0 0 420.488 4.185 20 10 HICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000026417095 847140555 /nfs/dbraw/zinc/14/05/55/847140555.db2.gz UAHURIDAMJPDNH-UHFFFAOYSA-N 0 0 414.594 4.047 20 10 HICDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3Cn3cccn3)c2C)cc1 ZINC000027257197 847273284 /nfs/dbraw/zinc/27/32/84/847273284.db2.gz KGCAAWQSKQMCLR-UHFFFAOYSA-N 0 0 414.509 4.278 20 10 HICDRN C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000029074884 847500888 /nfs/dbraw/zinc/50/08/88/847500888.db2.gz ANBQRFUUYAEGCS-CYBMUJFWSA-N 0 0 417.490 4.113 20 10 HICDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(N2CCCC2)cc1 ZINC000032665897 848061183 /nfs/dbraw/zinc/06/11/83/848061183.db2.gz XDXHDYRUDSZGFA-UHFFFAOYSA-N 0 0 408.477 4.115 20 10 HICDRN Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1cccc(C)c1 ZINC000036274728 848147848 /nfs/dbraw/zinc/14/78/48/848147848.db2.gz JKJHRULINJXXSY-UHFFFAOYSA-N 0 0 414.509 4.453 20 10 HICDRN Cc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000041595071 848235908 /nfs/dbraw/zinc/23/59/08/848235908.db2.gz HGPSYWPWXVPWTF-UHFFFAOYSA-N 0 0 411.521 4.098 20 10 HICDRN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000046686264 848910462 /nfs/dbraw/zinc/91/04/62/848910462.db2.gz TXQRUBACNQQTSQ-UHFFFAOYSA-N 0 0 421.570 4.223 20 10 HICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1C(F)(F)F ZINC000047325095 849025985 /nfs/dbraw/zinc/02/59/85/849025985.db2.gz HUHYOJNNTYQVDR-UHFFFAOYSA-N 0 0 407.436 4.236 20 10 HICDRN Cc1ccc(O[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c(Br)c1 ZINC000437006025 862179647 /nfs/dbraw/zinc/17/96/47/862179647.db2.gz DYYGRGSOAMXXRH-AWEZNQCLSA-N 0 0 419.319 4.016 20 10 HICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000437008234 862182022 /nfs/dbraw/zinc/18/20/22/862182022.db2.gz OTMZTMIWDFIRCJ-UHFFFAOYSA-N 0 0 422.506 4.292 20 10 HICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000437011061 862188622 /nfs/dbraw/zinc/18/86/22/862188622.db2.gz SYHPEGOJGBMGNB-UHFFFAOYSA-N 0 0 407.495 4.106 20 10 HICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2cc(Br)ccc2o1 ZINC000437028514 862211819 /nfs/dbraw/zinc/21/18/19/862211819.db2.gz YTAJIPBOWMQWBG-UHFFFAOYSA-N 0 0 401.260 4.301 20 10 HICDRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000061077318 851289735 /nfs/dbraw/zinc/28/97/35/851289735.db2.gz QOUAYUXGKAFPQI-UHFFFAOYSA-N 0 0 400.482 4.437 20 10 HICDRN COc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc(OC)c1OC ZINC000061529397 851396267 /nfs/dbraw/zinc/39/62/67/851396267.db2.gz UUNWCAJTICRWIR-UHFFFAOYSA-N 0 0 408.498 4.358 20 10 HICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000065435393 852131647 /nfs/dbraw/zinc/13/16/47/852131647.db2.gz PIJRRAXJHPKBKK-JKSUJKDBSA-N 0 0 419.472 4.246 20 10 HICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(COCC2CC2)c1 ZINC000065472342 852147449 /nfs/dbraw/zinc/14/74/49/852147449.db2.gz DUPSQJBPSWNUHH-UHFFFAOYSA-N 0 0 411.571 4.488 20 10 HICDRN Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065561389 852181443 /nfs/dbraw/zinc/18/14/43/852181443.db2.gz OLTVENCPWVLOMY-OAHLLOKOSA-N 0 0 409.461 4.117 20 10 HICDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1-c1ccccc1 ZINC000096992094 852569214 /nfs/dbraw/zinc/56/92/14/852569214.db2.gz JPHDDWCXZVTOAF-HSZRJFAPSA-N 0 0 418.541 4.068 20 10 HICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000097134988 852585713 /nfs/dbraw/zinc/58/57/13/852585713.db2.gz DUYSYPKPOBZZIN-UHFFFAOYSA-N 0 0 419.500 4.222 20 10 HICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000105282000 852696091 /nfs/dbraw/zinc/69/60/91/852696091.db2.gz HRODQSCDPRBUIU-UHFFFAOYSA-N 0 0 418.513 4.466 20 10 HICDRN Cc1cc(C(=O)COC(=O)CCc2nc(-c3ccco3)no2)c(C)n1-c1ccccc1 ZINC000105735219 852726088 /nfs/dbraw/zinc/72/60/88/852726088.db2.gz QOYOXMYHUYYBSK-UHFFFAOYSA-N 0 0 419.437 4.096 20 10 HICDRN Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(C)n1-c1ccccn1 ZINC000106073625 852752162 /nfs/dbraw/zinc/75/21/62/852752162.db2.gz JTBXJVSUXJDQIY-UHFFFAOYSA-N 0 0 414.962 4.162 20 10 HICDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000106158342 852758753 /nfs/dbraw/zinc/75/87/53/852758753.db2.gz NTGOQXLMSFPXDO-UHFFFAOYSA-N 0 0 420.582 4.498 20 10 HICDRN Cc1[nH]c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2c1C ZINC000108457846 852853377 /nfs/dbraw/zinc/85/33/77/852853377.db2.gz DJGXEFMNPOMKIE-GJZGRUSLSA-N 0 0 409.505 4.467 20 10 HICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000108591166 852862328 /nfs/dbraw/zinc/86/23/28/852862328.db2.gz XAFBPHMOUHGBMD-UHFFFAOYSA-N 0 0 412.946 4.009 20 10 HICDRN COc1ccc(N2CCCN(C(=O)c3cccnc3Nc3ccccc3F)CC2)cc1 ZINC000108695779 852873174 /nfs/dbraw/zinc/87/31/74/852873174.db2.gz LXGHALCPRRQPMB-UHFFFAOYSA-N 0 0 420.488 4.325 20 10 HICDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)c2C)cc1 ZINC000108927151 852893293 /nfs/dbraw/zinc/89/32/93/852893293.db2.gz GBEUOCHVYPAVDL-LJQANCHMSA-N 0 0 421.516 4.498 20 10 HICDRN C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(N2CCOCC2)cc1 ZINC000109180202 852931244 /nfs/dbraw/zinc/93/12/44/852931244.db2.gz YNEIOMIFUVFHDH-KRWDZBQOSA-N 0 0 423.488 4.127 20 10 HICDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000109190086 852934290 /nfs/dbraw/zinc/93/42/90/852934290.db2.gz MXGBLKFUNBJYSY-HNNXBMFYSA-N 0 0 410.905 4.058 20 10 HICDRN CN(c1ccc(CNC(=O)CCCn2c3ccccc3oc2=O)cc1)C1CCCCC1 ZINC000109295788 852948590 /nfs/dbraw/zinc/94/85/90/852948590.db2.gz CVHVNBBTGHIQDB-UHFFFAOYSA-N 0 0 421.541 4.460 20 10 HICDRN Cc1cc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000109801111 853017003 /nfs/dbraw/zinc/01/70/03/853017003.db2.gz SXPXUZPVJNXYKW-LJQANCHMSA-N 0 0 409.574 4.415 20 10 HICDRN CCOc1ccc(-c2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)cc1OC ZINC000110004292 853046085 /nfs/dbraw/zinc/04/60/85/853046085.db2.gz ZJBBLTPFRPYWGI-UHFFFAOYSA-N 0 0 415.467 4.294 20 10 HICDRN CC(C)[C@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000110579130 853121039 /nfs/dbraw/zinc/12/10/39/853121039.db2.gz RTVYLHZRBQGMPP-QHCPKHFHSA-N 0 0 412.599 4.440 20 10 HICDRN Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000110597180 853124963 /nfs/dbraw/zinc/12/49/63/853124963.db2.gz GJNHJXKKEVXURW-GASCZTMLSA-N 0 0 419.566 4.333 20 10 HICDRN Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000110597183 853125074 /nfs/dbraw/zinc/12/50/74/853125074.db2.gz GJNHJXKKEVXURW-HUUCEWRRSA-N 0 0 419.566 4.333 20 10 HICDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000110934376 853170327 /nfs/dbraw/zinc/17/03/27/853170327.db2.gz OJEHGFAWHYTJHN-UHFFFAOYSA-N 0 0 401.359 4.411 20 10 HICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(I)c1 ZINC000113426493 853242439 /nfs/dbraw/zinc/24/24/39/853242439.db2.gz AXWXUFQZSPVYPZ-UHFFFAOYSA-N 0 0 414.312 4.081 20 10 HICDRN COc1ccc(N(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C(C)C)cc1F ZINC000116605331 853319458 /nfs/dbraw/zinc/31/94/58/853319458.db2.gz RMQXITGNUPYYCI-UHFFFAOYSA-N 0 0 422.501 4.392 20 10 HICDRN CN(C)c1ccc(CN(C)C(=O)CSCc2cc(-c3cccs3)on2)cc1 ZINC000139713252 853419309 /nfs/dbraw/zinc/41/93/09/853419309.db2.gz NIWNACCEFGWNTC-UHFFFAOYSA-N 0 0 401.557 4.361 20 10 HICDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000139944706 853428048 /nfs/dbraw/zinc/42/80/48/853428048.db2.gz AEWYWHGXLUNTNA-SFHVURJKSA-N 0 0 409.486 4.182 20 10 HICDRN C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000139980312 853429353 /nfs/dbraw/zinc/42/93/53/853429353.db2.gz GXPKXOBGVAMKQZ-CVDCTZTESA-N 0 0 408.546 4.306 20 10 HICDRN C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 ZINC000141036432 853459714 /nfs/dbraw/zinc/45/97/14/853459714.db2.gz SMEBQGKACKZXFB-INIZCTEOSA-N 0 0 410.543 4.036 20 10 HICDRN C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000141049852 853460370 /nfs/dbraw/zinc/46/03/70/853460370.db2.gz RUZBMKFOUVNRDR-HXUWFJFHSA-N 0 0 407.558 4.249 20 10 HICDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(-c2ccc(C)cc2)n1 ZINC000141624844 853477267 /nfs/dbraw/zinc/47/72/67/853477267.db2.gz HZBJLVLHXUJSDH-IBGZPJMESA-N 0 0 419.529 4.208 20 10 HICDRN C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000145677661 853555023 /nfs/dbraw/zinc/55/50/23/853555023.db2.gz HIZUXNPOKLPHKY-KRWDZBQOSA-N 0 0 407.539 4.062 20 10 HICDRN CCC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000195600620 853706689 /nfs/dbraw/zinc/70/66/89/853706689.db2.gz ZRWJURUXADOTQQ-UHFFFAOYSA-N 0 0 400.544 4.090 20 10 HICDRN O=C(/C=C/Sc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000195643288 853735007 /nfs/dbraw/zinc/73/50/07/853735007.db2.gz AEUWRXDUWIHVKX-MDWZMJQESA-N 0 0 422.472 4.464 20 10 HICDRN C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000195649081 853737063 /nfs/dbraw/zinc/73/70/63/853737063.db2.gz ZPHOUVIWLAVFTK-NVXWUHKLSA-N 0 0 413.484 4.262 20 10 HICDRN O=C1/C(=C\c2ccccc2OCc2cccnc2)SC(=S)N1c1cccnc1 ZINC000207697757 853803895 /nfs/dbraw/zinc/80/38/95/853803895.db2.gz OPJYRWFWTCEBBS-YBFXNURJSA-N 0 0 405.504 4.461 20 10 HICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000217156657 853860447 /nfs/dbraw/zinc/86/04/47/853860447.db2.gz LZDXPXKTUHROAR-UHFFFAOYSA-N 0 0 418.497 4.374 20 10 HICDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000255477822 854217029 /nfs/dbraw/zinc/21/70/29/854217029.db2.gz ZGDVZCLLMOIRQR-UHFFFAOYSA-N 0 0 408.483 4.361 20 10 HICDRN O=C(NC1CC1)c1cc(NCc2ccc(N3CCSCC3)cc2)nc2ccccc21 ZINC000301108519 854298293 /nfs/dbraw/zinc/29/82/93/854298293.db2.gz UAHWMUMYTMEZHX-UHFFFAOYSA-N 0 0 418.566 4.292 20 10 HICDRN Cc1cc(NCc2ccc(N3CCC(C)CC3)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000301191470 854325021 /nfs/dbraw/zinc/32/50/21/854325021.db2.gz HWZCELUDMILUTE-UHFFFAOYSA-N 0 0 404.440 4.300 20 10 HICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1 ZINC000301336856 854363563 /nfs/dbraw/zinc/36/35/63/854363563.db2.gz DHDYIPNRSMZOSC-UHFFFAOYSA-N 0 0 420.307 4.178 20 10 HICDRN COc1ccc(N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)cc1F ZINC000302179743 854544475 /nfs/dbraw/zinc/54/44/75/854544475.db2.gz YVFIZSBWTMBXHM-UHFFFAOYSA-N 0 0 404.898 4.333 20 10 HICDRN Fc1cc(CNc2nn3cc(C4CCCC4)nc3s2)ccc1N1CCOCC1 ZINC000302416108 854569412 /nfs/dbraw/zinc/56/94/12/854569412.db2.gz HXXVNSHHIGDHBY-UHFFFAOYSA-N 0 0 401.511 4.036 20 10 HICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000302689197 854605414 /nfs/dbraw/zinc/60/54/14/854605414.db2.gz QTUFRJBGJKSAFO-UHFFFAOYSA-N 0 0 420.469 4.220 20 10 HICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ncnc3ccc(S(C)(=O)=O)cc32)CC1 ZINC000302819985 854645425 /nfs/dbraw/zinc/64/54/25/854645425.db2.gz CVPJJAHGMHTNHT-UHFFFAOYSA-N 0 0 418.522 4.117 20 10 HICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)cc2cccnc21 ZINC000302936500 854686685 /nfs/dbraw/zinc/68/66/85/854686685.db2.gz AHMATCSHRVHZKK-UHFFFAOYSA-N 0 0 409.917 4.027 20 10 HICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000303080005 854751662 /nfs/dbraw/zinc/75/16/62/854751662.db2.gz CRKYDXDLDIJIMY-UHFFFAOYSA-N 0 0 419.500 4.140 20 10 HICDRN Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)c(C)n1-c1cccc(C)c1 ZINC000303123299 854772040 /nfs/dbraw/zinc/77/20/40/854772040.db2.gz AKAMNFRIQFRJDH-UHFFFAOYSA-N 0 0 408.571 4.207 20 10 HICDRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 ZINC000303170517 854798239 /nfs/dbraw/zinc/79/82/39/854798239.db2.gz ISNNNHQOORKBKU-QGZVFWFLSA-N 0 0 416.481 4.192 20 10 HICDRN O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000303198945 854812911 /nfs/dbraw/zinc/81/29/11/854812911.db2.gz NUVNNUYAKPMXOT-OAQYLSRUSA-N 0 0 420.475 4.248 20 10 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O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccccc2)CCCC1 ZINC000195562484 853684821 /nfs/dbraw/zinc/68/48/21/853684821.db2.gz DWFROKZQYJPYFZ-UHFFFAOYSA-N 0 0 421.585 4.207 20 10 HICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000195689225 853760031 /nfs/dbraw/zinc/76/00/31/853760031.db2.gz CDWAHTKHOQRVLR-UHFFFAOYSA-N 0 0 407.539 4.208 20 10 HICDRN COc1ccc(N2CCCN(Cn3[nH]c(/C=C\c4ccccc4)nc3=S)CC2)cc1 ZINC000208492992 853807911 /nfs/dbraw/zinc/80/79/11/853807911.db2.gz OCZGSSRSFKATMK-JYRVWZFOSA-N 0 0 421.570 4.289 20 10 HICDRN C/C(=C\C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(F)cc1 ZINC000211028714 853815174 /nfs/dbraw/zinc/81/51/74/853815174.db2.gz NAYJAPPUXKXPQI-JOQXAKKRSA-N 0 0 400.469 4.298 20 10 HICDRN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1ccc(N)cc1)CC2 ZINC000237476051 854041014 /nfs/dbraw/zinc/04/10/14/854041014.db2.gz OUNZXLVBWSPARC-RUZDIDTESA-N 0 0 402.494 4.003 20 10 HICDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000238087046 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/nfs/dbraw/zinc/82/78/80/852827880.db2.gz MVFXQOYNRNGKNV-MRXNPFEDSA-N 0 0 417.347 4.441 20 10 HICDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc4ccccc4c3)cc2F)C[C@@H](C)O1 ZINC000108281878 852835134 /nfs/dbraw/zinc/83/51/34/852835134.db2.gz BAYYTHOOOWJQHX-QZTJIDSGSA-N 0 0 406.501 4.451 20 10 HICDRN C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000109180765 852930943 /nfs/dbraw/zinc/93/09/43/852930943.db2.gz PMVVEBAZGUVBQK-KRWDZBQOSA-N 0 0 402.922 4.213 20 10 HICDRN O=C(CCc1ccc(Br)cc1F)NCc1ccc(N2CCCC2)cc1 ZINC000109376001 852962375 /nfs/dbraw/zinc/96/23/75/852962375.db2.gz URBRACFMJAGTME-UHFFFAOYSA-N 0 0 405.311 4.437 20 10 HICDRN COc1ccc(N2CCC(NC(=O)c3ccc(-c4ccccc4)nc3C)CC2)cc1 ZINC000110361352 853091417 /nfs/dbraw/zinc/09/14/17/853091417.db2.gz DOXXWTRXRSEXBZ-UHFFFAOYSA-N 0 0 401.510 4.464 20 10 HICDRN COc1ccc(N2CCC(NC(=O)Cc3c(C)nc4ccccc4c3C)CC2)cc1 ZINC000110356206 853091598 /nfs/dbraw/zinc/09/15/98/853091598.db2.gz XDIDDCGFGUFVFL-UHFFFAOYSA-N 0 0 403.526 4.188 20 10 HICDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(O)c1O ZINC000110530312 853114029 /nfs/dbraw/zinc/11/40/29/853114029.db2.gz VCWPPWFRTIPYGA-VIFPVBQESA-N 0 0 417.767 4.262 20 10 HICDRN Cc1cc(C(=O)NCC2N=NC(=S)N2C2CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000111032394 853190089 /nfs/dbraw/zinc/19/00/89/853190089.db2.gz ONLIMIABHBBJQP-UHFFFAOYSA-N 0 0 409.559 4.363 20 10 HICDRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000113831122 853242101 /nfs/dbraw/zinc/24/21/01/853242101.db2.gz XMBFQLUGMPQSHR-CPNJWEJPSA-N 0 0 415.536 4.340 20 10 HICDRN COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000139935163 853427245 /nfs/dbraw/zinc/42/72/45/853427245.db2.gz BYNFTXBGJIVQMG-GAJHUEQPSA-N 0 0 409.530 4.043 20 10 HICDRN CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Nc1ccccc1 ZINC000140984986 853458633 /nfs/dbraw/zinc/45/86/33/853458633.db2.gz ZEJKCXOVAOLPMQ-CVDCTZTESA-N 0 0 410.562 4.020 20 10 HICDRN Cc1ccccc1OCCCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140997658 853459255 /nfs/dbraw/zinc/45/92/55/853459255.db2.gz BDWDSMZAJNDYKU-FQEVSTJZSA-N 0 0 411.546 4.003 20 10 HICDRN CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000141000669 853459585 /nfs/dbraw/zinc/45/95/85/853459585.db2.gz NUDCGKREACOUAT-RTBURBONSA-N 0 0 411.546 4.432 20 10 HICDRN CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000141941876 853483644 /nfs/dbraw/zinc/48/36/44/853483644.db2.gz RERQDJNASJQELD-QGZVFWFLSA-N 0 0 410.518 4.063 20 10 HICDRN C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000145614667 853554399 /nfs/dbraw/zinc/55/43/99/853554399.db2.gz UNSRMRGMNXIIRL-SFHVURJKSA-N 0 0 406.482 4.186 20 10 HICDRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000145658220 853555411 /nfs/dbraw/zinc/55/54/11/853555411.db2.gz JFTMXDHCNNJHFV-SFHVURJKSA-N 0 0 416.525 4.077 20 10 HICDRN COc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCC(C)C ZINC000148443239 853607957 /nfs/dbraw/zinc/60/79/57/853607957.db2.gz QKEAWOODYYTYGL-GOSISDBHSA-N 0 0 412.530 4.058 20 10 HICDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000149889880 853633851 /nfs/dbraw/zinc/63/38/51/853633851.db2.gz NHZCCRVFCAXEAE-UHFFFAOYSA-N 0 0 401.514 4.077 20 10 HICDRN Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2)cc1Br ZINC000155782776 853644436 /nfs/dbraw/zinc/64/44/36/853644436.db2.gz FATDYMPJPJOHTK-UHFFFAOYSA-N 0 0 421.110 4.026 20 10 HICDRN CCOc1cccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1OC(F)F ZINC000211640677 853817060 /nfs/dbraw/zinc/81/70/60/853817060.db2.gz AVLRARBPSQNNSC-NTEUORMPSA-N 0 0 408.451 4.488 20 10 HICDRN CCN(CC)Cc1nc(C2(NCc3ccc(N4CCCCC4)cc3)CCCC2)no1 ZINC000236945479 853941600 /nfs/dbraw/zinc/94/16/00/853941600.db2.gz KCTXHCDCMROMPS-UHFFFAOYSA-N 0 0 411.594 4.461 20 10 HICDRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccc(N)cc1)CC2 ZINC000237475980 854040804 /nfs/dbraw/zinc/04/08/04/854040804.db2.gz OUNZXLVBWSPARC-VWLOTQADSA-N 0 0 402.494 4.003 20 10 HICDRN Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])c(C(F)(F)F)c2)n1 ZINC000237697506 854077642 /nfs/dbraw/zinc/07/76/42/854077642.db2.gz MEHDZTQSPIDIHP-UHFFFAOYSA-N 0 0 420.391 4.412 20 10 HICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000261384007 854242266 /nfs/dbraw/zinc/24/22/66/854242266.db2.gz DBUVAGBXORTJQW-UHFFFAOYSA-N 0 0 420.410 4.282 20 10 HICDRN Oc1ccc(CCNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)cc1O ZINC000301504905 854408792 /nfs/dbraw/zinc/40/87/92/854408792.db2.gz CIOGKPOWLROEEG-UHFFFAOYSA-N 0 0 416.268 4.164 20 10 HICDRN COc1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000302133993 854534891 /nfs/dbraw/zinc/53/48/91/854534891.db2.gz CRWDYLSBMMOKDT-GOSISDBHSA-N 0 0 412.364 4.209 20 10 HICDRN COc1cc(N2CCN(c3cc4ccccc4c(Cl)n3)CC2)cc(OC)c1OC ZINC000302138648 854535441 /nfs/dbraw/zinc/53/54/41/854535441.db2.gz CPWPBBNFUGTZRW-UHFFFAOYSA-N 0 0 413.905 4.241 20 10 HICDRN Clc1ccc(Cc2nnc(NCc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000302526532 854579991 /nfs/dbraw/zinc/57/99/91/854579991.db2.gz OZIUIOIRYKGCOJ-UHFFFAOYSA-N 0 0 400.935 4.231 20 10 HICDRN COc1ccc(N2CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC2)cc1 ZINC000302611326 854592721 /nfs/dbraw/zinc/59/27/21/854592721.db2.gz OZNSLQVWNLMHLA-UHFFFAOYSA-N 0 0 411.502 4.229 20 10 HICDRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2cccs2)cc1 ZINC000302854263 854657762 /nfs/dbraw/zinc/65/77/62/854657762.db2.gz GLYPIEXCFVQRCL-UHFFFAOYSA-N 0 0 410.495 4.173 20 10 HICDRN COc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F ZINC000302893565 854668849 /nfs/dbraw/zinc/66/88/49/854668849.db2.gz JPLPKBLMUMGQSW-OAQYLSRUSA-N 0 0 414.521 4.041 20 10 HICDRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000303065893 854745430 /nfs/dbraw/zinc/74/54/30/854745430.db2.gz VRLVEWMZFCBOGR-QGZVFWFLSA-N 0 0 403.910 4.098 20 10 HICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000303093803 854757109 /nfs/dbraw/zinc/75/71/09/854757109.db2.gz DZIATGNXVHYCBC-XMMPIXPASA-N 0 0 408.542 4.363 20 10 HICDRN Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000303129163 854774699 /nfs/dbraw/zinc/77/46/99/854774699.db2.gz AVQWKZPCAHZSBD-UHFFFAOYSA-N 0 0 402.473 4.067 20 10 HICDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC000303195064 854811255 /nfs/dbraw/zinc/81/12/55/854811255.db2.gz ZYIOINOWKGGZQG-CTNGQTDRSA-N 0 0 413.606 4.356 20 10 HICDRN Cc1cc(C(=O)CSc2nc(=O)ccn2C2CC2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000303330184 854875309 /nfs/dbraw/zinc/87/53/09/854875309.db2.gz WPFXGHPQUVEINN-UHFFFAOYSA-N 0 0 419.550 4.449 20 10 HICDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1F ZINC000303338901 854880681 /nfs/dbraw/zinc/88/06/81/854880681.db2.gz LDBPUEXOHLYDIT-UHFFFAOYSA-N 0 0 411.521 4.476 20 10 HICDRN C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)c1 ZINC000303416926 854919173 /nfs/dbraw/zinc/91/91/73/854919173.db2.gz BOXVELHLTYRTNO-PTNGSMBKSA-N 0 0 422.422 4.401 20 10 HICDRN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c(C)n1-c1ccc(F)cc1 ZINC000303500303 854989056 /nfs/dbraw/zinc/98/90/56/854989056.db2.gz RILVBDNCLYIBGV-SFHVURJKSA-N 0 0 409.509 4.425 20 10 HICDRN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2F)n1 ZINC000303738740 855163871 /nfs/dbraw/zinc/16/38/71/855163871.db2.gz YHISMJNHSQALOX-HXUWFJFHSA-N 0 0 423.488 4.155 20 10 HICDRN CCOCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 ZINC000303790523 855200464 /nfs/dbraw/zinc/20/04/64/855200464.db2.gz IBJOKWSPZUXROH-UHFFFAOYSA-N 0 0 418.559 4.139 20 10 HICDRN COc1cc(N(C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC ZINC000303870209 855261439 /nfs/dbraw/zinc/26/14/39/855261439.db2.gz HSRSZAGSRXJLJD-KRWDZBQOSA-N 0 0 414.546 4.225 20 10 HICDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)cc1 ZINC000392417657 855465204 /nfs/dbraw/zinc/46/52/04/855465204.db2.gz CQDPWTDHVJGMOB-UHFFFAOYSA-N 0 0 409.711 4.074 20 10 HICDRN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cn1 ZINC000427235860 856729474 /nfs/dbraw/zinc/72/94/74/856729474.db2.gz AHXXNGDOQKOIPB-UHFFFAOYSA-N 0 0 401.445 4.302 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)ccc21 ZINC000434174543 860167569 /nfs/dbraw/zinc/16/75/69/860167569.db2.gz QHCOLYSAABYFLJ-UHFFFAOYSA-N 0 0 407.514 4.167 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)ccc21 ZINC000434327005 860288612 /nfs/dbraw/zinc/28/86/12/860288612.db2.gz OHEPUWWFUAKFHE-LJQANCHMSA-N 0 0 416.587 4.079 20 10 HICDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnc(-c2cccs2)s1 ZINC000435163882 860672281 /nfs/dbraw/zinc/67/22/81/860672281.db2.gz AIZYQZRODSMGBL-FLIBITNWSA-N 0 0 408.464 4.434 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000467936897 881809198 /nfs/dbraw/zinc/80/91/98/881809198.db2.gz CPDGVGJHMGWETK-UHFFFAOYSA-N 0 0 400.482 4.018 20 10 HICDRN COc1cc(OC)cc(N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000468159752 882026213 /nfs/dbraw/zinc/02/62/13/882026213.db2.gz LQNZWCFATIGTSJ-UHFFFAOYSA-N 0 0 414.465 4.228 20 10 HICDRN Cc1cc(-c2nc(Cc3ccc(F)c(F)c3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000445443796 869526077 /nfs/dbraw/zinc/52/60/77/869526077.db2.gz GARUSLQREHXGGW-UHFFFAOYSA-N 0 0 411.433 4.130 20 10 HICDRN COc1cc(Cl)ccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000445668717 869736608 /nfs/dbraw/zinc/73/66/08/869736608.db2.gz PTQOYXINFRUXKY-UHFFFAOYSA-N 0 0 411.870 4.282 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccccc1OCC(F)(F)F ZINC000471218166 885791789 /nfs/dbraw/zinc/79/17/89/885791789.db2.gz AFIUCDDITBARPO-UHFFFAOYSA-N 0 0 406.404 4.123 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000471231774 885804397 /nfs/dbraw/zinc/80/43/97/885804397.db2.gz MSMRYSWTAXHDSP-UHFFFAOYSA-N 0 0 423.472 4.217 20 10 HICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1ccc(Br)s1 ZINC000471404333 886055413 /nfs/dbraw/zinc/05/54/13/886055413.db2.gz BRYADSYUPQRNHW-UHFFFAOYSA-N 0 0 409.349 4.325 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000471611869 886328038 /nfs/dbraw/zinc/32/80/38/886328038.db2.gz QZHYVGIAFKPOLV-UHFFFAOYSA-N 0 0 405.546 4.262 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000471712443 886422061 /nfs/dbraw/zinc/42/20/61/886422061.db2.gz CYLGTUWKTBZJHC-HSZRJFAPSA-N 0 0 405.498 4.208 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000471825422 886574328 /nfs/dbraw/zinc/57/43/28/886574328.db2.gz VVSGMGFXLWDCQG-UHFFFAOYSA-N 0 0 400.482 4.078 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000472225980 887030477 /nfs/dbraw/zinc/03/04/77/887030477.db2.gz XOJNZAFVAYMSDE-FQEVSTJZSA-N 0 0 424.932 4.087 20 10 HICDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472244924 887054369 /nfs/dbraw/zinc/05/43/69/887054369.db2.gz YFFWBQCGQPZWKI-FQEVSTJZSA-N 0 0 421.541 4.386 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)ccc21 ZINC000472670519 887526237 /nfs/dbraw/zinc/52/62/37/887526237.db2.gz GDLPCOUFKLKOET-INIZCTEOSA-N 0 0 418.497 4.446 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000472771217 887616744 /nfs/dbraw/zinc/61/67/44/887616744.db2.gz LAQHENWPFVLBHF-UHFFFAOYSA-N 0 0 403.404 4.069 20 10 HICDRN CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472804189 887647720 /nfs/dbraw/zinc/64/77/20/887647720.db2.gz MJOPVAXFUKMMAH-UHFFFAOYSA-N 0 0 401.919 4.117 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000473262979 888024072 /nfs/dbraw/zinc/02/40/72/888024072.db2.gz JTXZDGVWZJSYQO-UHFFFAOYSA-N 0 0 404.514 4.047 20 10 HICDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000473866489 888722404 /nfs/dbraw/zinc/72/24/04/888722404.db2.gz UTHPRHTVPFHMLK-UHFFFAOYSA-N 0 0 408.271 4.394 20 10 HICDRN CCc1[nH]nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1Br ZINC000473944401 888820443 /nfs/dbraw/zinc/82/04/43/888820443.db2.gz KTUKSZWRWQSTIW-UHFFFAOYSA-N 0 0 419.323 4.205 20 10 HICDRN CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1c(C)c2ccccc2n1C ZINC000475199126 890068823 /nfs/dbraw/zinc/06/88/23/890068823.db2.gz SDAJKFSQGBAGPO-UHFFFAOYSA-N 0 0 402.498 4.139 20 10 HICDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c21 ZINC000475946813 890869106 /nfs/dbraw/zinc/86/91/06/890869106.db2.gz LWEWDFQTRVXMTR-UHFFFAOYSA-N 0 0 406.486 4.329 20 10 HICDRN CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnc2ccccc2n1 ZINC000484892760 900276011 /nfs/dbraw/zinc/27/60/11/900276011.db2.gz ZCWLRGRVXVLWJE-UHFFFAOYSA-N 0 0 406.449 4.154 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)ccc21 ZINC000510962636 919503845 /nfs/dbraw/zinc/50/38/45/919503845.db2.gz QUKJGRQJLVJEMS-OAQYLSRUSA-N 0 0 416.525 4.341 20 10 HICDRN Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc3nsnc32)o1 ZINC000517475628 924216392 /nfs/dbraw/zinc/21/63/92/924216392.db2.gz BCZCWORXOVYYCU-UHFFFAOYSA-N 0 0 403.460 4.127 20 10 HICDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1NC(=O)c1cccs1 ZINC000535405349 933119329 /nfs/dbraw/zinc/11/93/29/933119329.db2.gz LOSMPTHAWXIVOU-UHFFFAOYSA-N 0 0 421.522 4.414 20 10 HICDRN Cc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cc2[nH]cnc21 ZINC000547141298 941010040 /nfs/dbraw/zinc/01/00/40/941010040.db2.gz FYKQTYMRJZHDKO-UHFFFAOYSA-N 0 0 415.478 4.113 20 10 HICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000548756730 941122787 /nfs/dbraw/zinc/12/27/87/941122787.db2.gz LJWUSWPZZNRSSG-UHFFFAOYSA-N 0 0 413.403 4.016 20 10 HICDRN CCc1c(NC(=O)NCc2c(C)c3ccccc3n2C)nnn1Cc1ccc(F)cc1 ZINC000549242376 941173466 /nfs/dbraw/zinc/17/34/66/941173466.db2.gz MRARCNQRRHBUIL-UHFFFAOYSA-N 0 0 420.492 4.150 20 10 HICDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000549386650 941184959 /nfs/dbraw/zinc/18/49/59/941184959.db2.gz YFHKMWHNKCEZHM-UHFFFAOYSA-N 0 0 402.498 4.478 20 10 HICDRN CCOC(=O)c1nc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc(C(C)(C)C)n1 ZINC000553250509 941856616 /nfs/dbraw/zinc/85/66/16/941856616.db2.gz BUYFHPMYENNQNK-UHFFFAOYSA-N 0 0 405.502 4.121 20 10 HICDRN CC[C@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccc(Cl)s1 ZINC000554199958 942064572 /nfs/dbraw/zinc/06/45/72/942064572.db2.gz PMSGPVXCBJGGLG-AWEZNQCLSA-N 0 0 403.935 4.085 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[C@H](Nc4ccccn4)CC3)ccc21 ZINC000556860337 942942292 /nfs/dbraw/zinc/94/22/92/942942292.db2.gz MVVNDFLEQCURHI-MEMLXQNLSA-N 0 0 420.557 4.453 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3n[nH]c(-c4ccccc4F)n3)ccc21 ZINC000557938317 943334730 /nfs/dbraw/zinc/33/47/30/943334730.db2.gz IMDRGJRSRZNMTP-UHFFFAOYSA-N 0 0 407.449 4.081 20 10 HICDRN O=C(c1c[nH]nc1-c1cccnc1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000559531238 943995842 /nfs/dbraw/zinc/99/58/42/943995842.db2.gz MUJHOQHSFDYAAV-UHFFFAOYSA-N 0 0 409.287 4.316 20 10 HICDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000571673630 947742466 /nfs/dbraw/zinc/74/24/66/947742466.db2.gz DWWRHJNMYMLZQB-HXUWFJFHSA-N 0 0 421.541 4.015 20 10 HICDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)nc(N4CCCC4)c3)ccc21 ZINC000574886896 948548535 /nfs/dbraw/zinc/54/85/35/948548535.db2.gz SBHVGTSRISFQLS-UHFFFAOYSA-N 0 0 420.557 4.138 20 10 HICDRN