smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 ZINC000138162360 186014565 /nfs/dbraw/zinc/01/45/65/186014565.db2.gz NFJXNIDBWDWGPK-UHFFFAOYSA-N 0 3 304.393 4.426 40 0 DIABHN c1ccc2c(c1)CCc1ccccc1N2[C@@H]1CN2CCC1CC2 ZINC000004214242 181085323 /nfs/dbraw/zinc/08/53/23/181085323.db2.gz JCBQCKFFSPGEDY-OAQYLSRUSA-N 0 3 304.437 4.018 40 0 in-man DIABHN CN1CCC(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000074921046 191388656 /nfs/dbraw/zinc/38/86/56/191388656.db2.gz FMAVCUBZEKJAGZ-UHFFFAOYSA-N 0 3 324.424 4.149 40 0 DIABHN COc1ccc([C@H]2C=C(c3ccc(F)cc3)NC(=N)S2)cc1 ZINC000005917621 181295822 /nfs/dbraw/zinc/29/58/22/181295822.db2.gz UBRNDOCAUUDKEB-MRXNPFEDSA-N 0 3 314.385 4.188 40 0 DIABHN CCCCCCNCc1cc(Br)ccc1OC ZINC000006427134 181340762 /nfs/dbraw/zinc/34/07/62/181340762.db2.gz FYDZEYRDEFZIFM-UHFFFAOYSA-N 0 3 300.240 4.128 40 0 DIABHN C[C@H]1CN=C(c2cccc(-c3ccc(-c4ccccc4)o3)c2)N1 ZINC000006495189 181345883 /nfs/dbraw/zinc/34/58/83/181345883.db2.gz WAEHMWVHYABFND-AWEZNQCLSA-N 0 3 302.377 4.352 40 0 DIABHN Cc1csc(-c2cc([C@@H]3CCCCN3C(C)C)nc(C)n2)n1 ZINC000257282314 203009529 /nfs/dbraw/zinc/00/95/29/203009529.db2.gz OTGKYQIAXSEPKD-INIZCTEOSA-N 0 3 316.474 4.152 40 0 DIABHN Cc1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2ccccn12 ZINC000019240680 182111528 /nfs/dbraw/zinc/11/15/28/182111528.db2.gz IUDHUCXNBOUHGX-KRWDZBQOSA-N 0 3 323.415 4.161 40 0 DIABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2ccccn12 ZINC000019240679 182111924 /nfs/dbraw/zinc/11/19/24/182111924.db2.gz IUDHUCXNBOUHGX-QGZVFWFLSA-N 0 3 323.415 4.161 40 0 DIABHN Fc1cccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293836 182113596 /nfs/dbraw/zinc/11/35/96/182113596.db2.gz LMFJXEGIOGUMAO-INIZCTEOSA-N 0 3 309.388 4.082 40 0 DIABHN Cc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000019933915 182167317 /nfs/dbraw/zinc/16/73/17/182167317.db2.gz CRBQQJVBVJVQPC-UHFFFAOYSA-N 0 3 322.452 4.479 40 0 DIABHN CNCc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158478 182193986 /nfs/dbraw/zinc/19/39/86/182193986.db2.gz RMERUOLOJOURHH-UHFFFAOYSA-N 0 3 300.583 4.082 40 0 DIABHN CCN(CC)CCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000022076872 182308135 /nfs/dbraw/zinc/30/81/35/182308135.db2.gz WGELCJFKLSEXLK-UHFFFAOYSA-N 0 3 320.864 4.340 40 0 DIABHN Cc1cc(OCc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223432 257123187 /nfs/dbraw/zinc/12/31/87/257123187.db2.gz ZTQAODVPWMLSGE-HXUWFJFHSA-N 0 3 304.393 4.017 40 0 DIABHN COc1ccc(OC)c([C@H]2CCCCN2Cc2ccccc2)c1 ZINC000072221892 257124410 /nfs/dbraw/zinc/12/44/10/257124410.db2.gz YSFKJVLQBPSICK-LJQANCHMSA-N 0 3 311.425 4.431 40 0 DIABHN COc1ccc(OC)c([C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000072221891 257124597 /nfs/dbraw/zinc/12/45/97/257124597.db2.gz YSFKJVLQBPSICK-IBGZPJMESA-N 0 3 311.425 4.431 40 0 DIABHN Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N(C)C ZINC000072218646 257125257 /nfs/dbraw/zinc/12/52/57/257125257.db2.gz TUWXORDSYQVNFW-IBGZPJMESA-N 0 3 309.457 4.183 40 0 DIABHN CCCCN1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216708 257125317 /nfs/dbraw/zinc/12/53/17/257125317.db2.gz XDWSHOUFWJHGDI-SFHVURJKSA-N 0 3 301.478 4.399 40 0 DIABHN c1ccc(CN2CCCC[C@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213805 257125829 /nfs/dbraw/zinc/12/58/29/257125829.db2.gz FNFGSZGHMKSCRZ-IBGZPJMESA-N 0 3 307.441 4.383 40 0 DIABHN CC(C)CNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213303 257126010 /nfs/dbraw/zinc/12/60/10/257126010.db2.gz NDTLPLUHICQJIR-IBGZPJMESA-N 0 3 309.457 4.487 40 0 DIABHN CC(C)CNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213304 257126639 /nfs/dbraw/zinc/12/66/39/257126639.db2.gz NDTLPLUHICQJIR-LJQANCHMSA-N 0 3 309.457 4.487 40 0 DIABHN CC(C)CN1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212083 257126847 /nfs/dbraw/zinc/12/68/47/257126847.db2.gz TYVXZFGEZRCVSG-IBGZPJMESA-N 0 3 310.441 4.454 40 0 DIABHN CCC[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000247940466 341371308 /nfs/dbraw/zinc/37/13/08/341371308.db2.gz GCUZTKRRUTYKPX-KDJJVYBXSA-N 0 3 309.453 4.486 40 0 DIABHN Fc1ccccc1CN1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168930 560084926 /nfs/dbraw/zinc/08/49/26/560084926.db2.gz LRFXPJPPOXIFPU-AWEZNQCLSA-N 0 3 312.413 4.425 40 0 biogenic,in-vitro DIABHN O[C@H]1CCCc2nc3ccccc3c(NCc3ccccc3)c21 ZINC000000004267 563211078 /nfs/dbraw/zinc/21/10/78/563211078.db2.gz HERUZAOANPGYSY-SFHVURJKSA-N 0 3 304.393 4.217 40 0 in-man DIABHN CCc1cc(CC)c(C(=O)OCCN2CCCCC2)c(CC)c1 ZINC000001646544 563289097 /nfs/dbraw/zinc/28/90/97/563289097.db2.gz RHYQHMFEJXACMQ-UHFFFAOYSA-N 0 3 317.473 4.017 40 0 DIABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001710811 563292407 /nfs/dbraw/zinc/29/24/07/563292407.db2.gz SGFGQSKEXCCYTI-OALUTQOASA-N 0 3 315.457 4.012 40 0 DIABHN O=C(/C=C/c1ccccc1)OCc1ccccc1CN1C=CCC1 ZINC000001716168 563293274 /nfs/dbraw/zinc/29/32/74/563293274.db2.gz PVNMMULREXJMLK-OUKQBFOZSA-N 0 3 319.404 4.163 40 0 DIABHN CC(C)N(C)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001843241 563296326 /nfs/dbraw/zinc/29/63/26/563296326.db2.gz KAYIKQQQTHUULM-RBUKOAKNSA-N 0 3 315.457 4.010 40 0 DIABHN CC[C@@H](C)NCc1cccc(OC)c1OCc1ccccc1F ZINC000008326034 563346024 /nfs/dbraw/zinc/34/60/24/563346024.db2.gz OMDSZNXVWYXLRO-CQSZACIVSA-N 0 3 317.404 4.301 40 0 DIABHN CN(C)CCO[C@](C)(c1ccccc1)c1ccc2ccccc2n1 ZINC000008581617 563348057 /nfs/dbraw/zinc/34/80/57/563348057.db2.gz YDJVFOAHQRFWRZ-OAQYLSRUSA-N 0 3 320.436 4.077 40 0 DIABHN Cc1ccc(Oc2ccc(F)cc2OCCN2CCCC2)cc1 ZINC000585265603 563537191 /nfs/dbraw/zinc/53/71/91/563537191.db2.gz UTEAAFVAMAWPGJ-UHFFFAOYSA-N 0 3 315.388 4.401 40 0 DIABHN COc1cc(CNC2CC2)ccc1OCc1cccc(Cl)c1 ZINC000008471872 563642106 /nfs/dbraw/zinc/64/21/06/563642106.db2.gz WUJUZWRDXVBPQT-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000009063090 563644918 /nfs/dbraw/zinc/64/49/18/563644918.db2.gz FJZBRSAIDGCJLR-UHFFFAOYSA-N 0 3 322.452 4.154 40 0 DIABHN NC1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000222546740 563725749 /nfs/dbraw/zinc/72/57/49/563725749.db2.gz YCCQIUYSFILRTF-AWEZNQCLSA-N 0 3 306.196 4.217 40 0 DIABHN NC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000222546673 563725831 /nfs/dbraw/zinc/72/58/31/563725831.db2.gz YCCQIUYSFILRTF-CQSZACIVSA-N 0 3 306.196 4.217 40 0 DIABHN Cc1cnc(-c2cc([C@@H]3CCCCN3C(C)C)nc(C)n2)s1 ZINC000257324831 563792667 /nfs/dbraw/zinc/79/26/67/563792667.db2.gz WQJRXMMTIRLSQQ-INIZCTEOSA-N 0 3 316.474 4.152 40 0 DIABHN CSc1ccc(CN(Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000013991533 1041502427 /nfs/dbraw/zinc/50/24/27/1041502427.db2.gz SBHVDRLJWPVXSY-CQSZACIVSA-N 0 3 321.511 4.161 40 0 DIABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095534166 185379263 /nfs/dbraw/zinc/37/92/63/185379263.db2.gz UDNZQGHCLQMZIX-KRWDZBQOSA-N 0 3 320.440 4.126 40 0 DIABHN CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072348585 191127264 /nfs/dbraw/zinc/12/72/64/191127264.db2.gz VGWWENLMHDKCIW-UHFFFAOYSA-N 0 3 300.833 4.135 40 0 DIABHN CN(Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393632 191150207 /nfs/dbraw/zinc/15/02/07/191150207.db2.gz SKTRQNRGDORSHB-UHFFFAOYSA-N 0 3 307.441 4.492 40 0 DIABHN C[C@@H]1CCCCN1P(c1ccccc1)N1CCCC[C@@H]1C ZINC000005328660 181230291 /nfs/dbraw/zinc/23/02/91/181230291.db2.gz IXYQVEWDGLGTQK-QRTHJKPMSA-N 0 3 304.418 4.373 40 0 DIABHN CC(=O)Nc1ccc2c(c1)[C@H](N1CCCCC1)c1ccccc1-2 ZINC000005542254 181255276 /nfs/dbraw/zinc/25/52/76/181255276.db2.gz NJLDMBUQUAPTOL-HXUWFJFHSA-N 0 3 306.409 4.201 40 0 DIABHN CC(=O)[C@H](CCN(C)C)c1ccc2c(c1)CCc1ccccc1-2 ZINC000005883706 181293074 /nfs/dbraw/zinc/29/30/74/181293074.db2.gz FLJOWAJUTGCGMY-IBGZPJMESA-N 0 3 307.437 4.077 40 0 DIABHN Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240669 182111636 /nfs/dbraw/zinc/11/16/36/182111636.db2.gz UYHZAKAZKBCEGR-QGZVFWFLSA-N 0 3 323.415 4.161 40 0 DIABHN c1ccc(CNC[C@@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000019366597 182118494 /nfs/dbraw/zinc/11/84/94/182118494.db2.gz PMEZXKXUCLALIY-JOCHJYFZSA-N 0 3 316.448 4.307 40 0 DIABHN CN1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000022036254 182305535 /nfs/dbraw/zinc/30/55/35/182305535.db2.gz ATBWRPNTOXXOBL-OALUTQOASA-N 0 3 314.860 4.113 40 0 DIABHN Cc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000035311353 182769855 /nfs/dbraw/zinc/76/98/55/182769855.db2.gz SAXXPIJGCKCFGH-UHFFFAOYSA-N 0 3 311.400 4.229 40 0 DIABHN Cc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039748019 183021700 /nfs/dbraw/zinc/02/17/00/183021700.db2.gz XCEDNBBGGXNQMF-UHFFFAOYSA-N 0 3 322.452 4.154 40 0 DIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1NCc1ccccc1 ZINC000072222340 257123526 /nfs/dbraw/zinc/12/35/26/257123526.db2.gz OXQAZRIHOANUQV-IBGZPJMESA-N 0 3 303.409 4.050 40 0 DIABHN Cc1cc(N2CCc3ccccc32)ncc1[C@@H](N)c1ccccc1 ZINC000072223954 257123681 /nfs/dbraw/zinc/12/36/81/257123681.db2.gz QXZFLKSLQXVKOY-NRFANRHFSA-N 0 3 315.420 4.132 40 0 DIABHN Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1Cc1ccccc1 ZINC000072218850 257124178 /nfs/dbraw/zinc/12/41/78/257124178.db2.gz RIWYUERLBIOFKN-HXUWFJFHSA-N 0 3 321.468 4.327 40 0 DIABHN Cc1nc(N(C)C)ccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218767 257124330 /nfs/dbraw/zinc/12/43/30/257124330.db2.gz JAZIMHBHWOMFCS-LJQANCHMSA-N 0 3 309.457 4.183 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216031 257125567 /nfs/dbraw/zinc/12/55/67/257125567.db2.gz XRFFUUNCGQGQEM-HXUWFJFHSA-N 0 3 321.468 4.409 40 0 DIABHN CC(C)CN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214381 257125838 /nfs/dbraw/zinc/12/58/38/257125838.db2.gz FGCXXWVYFFWQKM-OAHLLOKOSA-N 0 3 319.449 4.222 40 0 DIABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072214750 257126709 /nfs/dbraw/zinc/12/67/09/257126709.db2.gz YHEHKEDGQCHJQT-HNNXBMFYSA-N 0 3 319.449 4.048 40 0 DIABHN CCN(CC)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212825 257127619 /nfs/dbraw/zinc/12/76/19/257127619.db2.gz BESZXTKJHZCWMJ-IBGZPJMESA-N 0 3 309.457 4.265 40 0 DIABHN c1nc([C@H]2CCCN2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124632 534534681 /nfs/dbraw/zinc/53/46/81/534534681.db2.gz BVKQAXXOAIZESC-LJQANCHMSA-N 0 3 318.424 4.086 40 0 DIABHN COc1cccc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168943 560084914 /nfs/dbraw/zinc/08/49/14/560084914.db2.gz JSSJNSQEFWGMKR-HNNXBMFYSA-N 0 3 324.449 4.294 40 0 biogenic,in-vitro DIABHN CC(=O)OC1C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000001719799 563293247 /nfs/dbraw/zinc/29/32/47/563293247.db2.gz OBNUWEBINMHPGX-IHWFROFDSA-N 0 3 309.409 4.126 40 0 DIABHN CN(C)CCOC(=O)C1(CCC2CCCCC2)CCCCC1 ZINC000001719238 563293360 /nfs/dbraw/zinc/29/33/60/563293360.db2.gz AQENSYDDMUDGBI-UHFFFAOYSA-N 0 3 309.494 4.402 40 0 DIABHN CN(Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012222446 563364654 /nfs/dbraw/zinc/36/46/54/563364654.db2.gz FFJZKTSKAWGPLU-UHFFFAOYSA-N 0 3 317.392 4.455 40 0 DIABHN CN(C)CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585265212 563536991 /nfs/dbraw/zinc/53/69/91/563536991.db2.gz ITSIFOUOPPPGHQ-UHFFFAOYSA-N 0 3 309.768 4.212 40 0 DIABHN COc1ccc2nc(C)cc(Nc3ccc(NC(C)=O)cc3)c2c1 ZINC000000303358 563607400 /nfs/dbraw/zinc/60/74/00/563607400.db2.gz BVUICDJDFFGMBE-UHFFFAOYSA-N 0 3 321.380 4.254 40 0 DIABHN C[N@H+](CCc1ccc2c(Cl)ccc([O-])c2n1)C1CCCCC1 ZINC000059474706 563771544 /nfs/dbraw/zinc/77/15/44/563771544.db2.gz GQXCVQDVFCZAAF-UHFFFAOYSA-N 0 3 318.848 4.401 40 0 DIABHN C[N@@H+](CCc1ccc2c(Cl)ccc([O-])c2n1)C1CCCCC1 ZINC000059474706 563771546 /nfs/dbraw/zinc/77/15/46/563771546.db2.gz GQXCVQDVFCZAAF-UHFFFAOYSA-N 0 3 318.848 4.401 40 0 DIABHN CC(C)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257226342 563791062 /nfs/dbraw/zinc/79/10/62/563791062.db2.gz FKHDVPSBONKURP-UHFFFAOYSA-N 0 3 316.420 4.166 40 0 DIABHN Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329063835 563833537 /nfs/dbraw/zinc/83/35/37/563833537.db2.gz XFPGWXVXHKCUHP-AWEZNQCLSA-N 0 3 322.456 4.091 40 0 DIABHN C[C@@H]1CCCN(P(c2ccccc2)N2CCC[C@@H](C)C2)C1 ZINC000016911673 563922829 /nfs/dbraw/zinc/92/28/29/563922829.db2.gz RTEVWEPQWAUGNR-IAGOWNOFSA-N 0 3 304.418 4.088 40 0 DIABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095534167 185379402 /nfs/dbraw/zinc/37/94/02/185379402.db2.gz UDNZQGHCLQMZIX-QGZVFWFLSA-N 0 3 320.440 4.126 40 0 DIABHN CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004162264 181079540 /nfs/dbraw/zinc/07/95/40/181079540.db2.gz LDCYUQWOTSEZCL-UWHLTILDSA-N 0 3 309.453 4.486 40 0 DIABHN Cc1ccc2c(c1)N(C(=O)CNC1CCCC1)C(C)(C)C=C2C ZINC000004896783 181169655 /nfs/dbraw/zinc/16/96/55/181169655.db2.gz QFVAHFZYBMFWBC-UHFFFAOYSA-N 0 3 312.457 4.056 40 0 DIABHN CCC(C(=O)[C@H](C)CN(C)C)(c1ccccc1)c1ccccc1 ZINC000005964855 181301708 /nfs/dbraw/zinc/30/17/08/181301708.db2.gz FGGFXBCANDWASR-QGZVFWFLSA-N 0 3 309.453 4.150 40 0 DIABHN C[C@@H]1CCCN(P(c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000017023703 182068366 /nfs/dbraw/zinc/06/83/66/182068366.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 0 3 304.418 4.088 40 0 DIABHN Fc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019349017 182117949 /nfs/dbraw/zinc/11/79/49/182117949.db2.gz ZLEOOIZNIZLEQH-MRXNPFEDSA-N 0 3 309.388 4.082 40 0 DIABHN CCNCc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158481 182194057 /nfs/dbraw/zinc/19/40/57/182194057.db2.gz HWJQDEYFBHVEIL-UHFFFAOYSA-N 0 3 314.610 4.472 40 0 DIABHN CCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875640 182251766 /nfs/dbraw/zinc/25/17/66/182251766.db2.gz DVSHLIRDIQGDBL-UHFFFAOYSA-N 0 3 314.610 4.472 40 0 DIABHN COc1c(Cl)cc(Cl)cc1CNCCc1ccccc1 ZINC000022074315 182307704 /nfs/dbraw/zinc/30/77/04/182307704.db2.gz HOWGHMFKYBXAFS-UHFFFAOYSA-N 0 3 310.224 4.334 40 0 DIABHN Cc1nn(C(C)C)c(C)c1CN(C)Cc1cccc2ncccc12 ZINC000057811536 184055304 /nfs/dbraw/zinc/05/53/04/184055304.db2.gz VSYDJKPURFLOJA-UHFFFAOYSA-N 0 3 322.456 4.261 40 0 DIABHN Cc1nc(N(C)Cc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224447 257123057 /nfs/dbraw/zinc/12/30/57/257123057.db2.gz QAZDMYXMVIRCNR-OAQYLSRUSA-N 0 3 317.436 4.075 40 0 DIABHN Cc1cc(N(C)Cc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223406 257123376 /nfs/dbraw/zinc/12/33/76/257123376.db2.gz OQQGINUPDZVWFP-NRFANRHFSA-N 0 3 317.436 4.075 40 0 DIABHN Cc1nc(N2CCc3ccccc32)ccc1[C@@H](N)c1ccccc1 ZINC000072224996 257123403 /nfs/dbraw/zinc/12/34/03/257123403.db2.gz AUTVIUNJGAWBDN-NRFANRHFSA-N 0 3 315.420 4.132 40 0 DIABHN Cc1nc(N(C)c2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224394 257123425 /nfs/dbraw/zinc/12/34/25/257123425.db2.gz CJXNSLOSZUMRQG-FQEVSTJZSA-N 0 3 303.409 4.206 40 0 DIABHN Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218790 257124281 /nfs/dbraw/zinc/12/42/81/257124281.db2.gz YPUPGRWSEBXAJS-HXUWFJFHSA-N 0 3 321.468 4.327 40 0 DIABHN CCCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214397 257126185 /nfs/dbraw/zinc/12/61/85/257126185.db2.gz GUEJEBAKBFDSMD-HNNXBMFYSA-N 0 3 319.449 4.366 40 0 DIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214690 257126616 /nfs/dbraw/zinc/12/66/16/257126616.db2.gz ZWVCTPSCZUKVOT-HNNXBMFYSA-N 0 3 319.449 4.048 40 0 DIABHN CCN(C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072212802 257127146 /nfs/dbraw/zinc/12/71/46/257127146.db2.gz AXHJWLDWGDEWNG-IBGZPJMESA-N 0 3 309.457 4.265 40 0 DIABHN CC(C)CN1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212082 257127237 /nfs/dbraw/zinc/12/72/37/257127237.db2.gz TYVXZFGEZRCVSG-LJQANCHMSA-N 0 3 310.441 4.454 40 0 DIABHN CC(C)CN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212023 257127419 /nfs/dbraw/zinc/12/74/19/257127419.db2.gz IIFRNFPXBLFDHX-IBGZPJMESA-N 0 3 310.441 4.454 40 0 DIABHN Fc1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000049168867 560084835 /nfs/dbraw/zinc/08/48/35/560084835.db2.gz JICXHQCRCLRPJJ-ZDUSSCGKSA-N 0 3 314.335 4.096 40 0 biogenic,in-vitro DIABHN CC(=O)[C@@H](CCN(C)C)c1ccc2c(c1)CCc1ccccc1-2 ZINC000001594885 563286910 /nfs/dbraw/zinc/28/69/10/563286910.db2.gz FLJOWAJUTGCGMY-LJQANCHMSA-N 0 3 307.437 4.077 40 0 DIABHN CN(C)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628141 563288717 /nfs/dbraw/zinc/28/87/17/563288717.db2.gz KBGPTRHFMZERIT-WHLIDYPQSA-N 0 3 301.817 4.105 40 0 DIABHN C[C@H]1CCCCN1Cc1ccccc1CC(=O)c1ccccc1 ZINC000001716181 563293107 /nfs/dbraw/zinc/29/31/07/563293107.db2.gz NTDITIGBWSJJEV-KRWDZBQOSA-N 0 3 307.437 4.486 40 0 DIABHN CC1CCN(P(c2ccccc2)N2CCC(C)CC2)CC1 ZINC000001737480 563294724 /nfs/dbraw/zinc/29/47/24/563294724.db2.gz FJPWXXUVZAKXTA-UHFFFAOYSA-N 0 3 304.418 4.088 40 0 DIABHN CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1F ZINC000008254144 563345452 /nfs/dbraw/zinc/34/54/52/563345452.db2.gz CQWGAAHELGLKGT-UHFFFAOYSA-N 0 3 323.795 4.176 40 0 DIABHN Cc1c(Cl)ccc([C@@H](O)CN(C)Cc2ccccc2)c1Cl ZINC000031912240 563441142 /nfs/dbraw/zinc/44/11/42/563441142.db2.gz NTIUTEYRJPOJNH-INIZCTEOSA-N 0 3 324.251 4.467 40 0 DIABHN Cc1c(Cl)ccc([C@H](O)CN(C)Cc2ccccc2)c1Cl ZINC000031912236 563441392 /nfs/dbraw/zinc/44/13/92/563441392.db2.gz NTIUTEYRJPOJNH-MRXNPFEDSA-N 0 3 324.251 4.467 40 0 DIABHN CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000002502147 563619598 /nfs/dbraw/zinc/61/95/98/563619598.db2.gz LDCYUQWOTSEZCL-XSDIEEQYSA-N 0 3 309.453 4.486 40 0 DIABHN COc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000008471467 563642512 /nfs/dbraw/zinc/64/25/12/563642512.db2.gz NJVMVKKJGXUVON-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN NC1=NN(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(F)cc2)C1 ZINC000222548635 563726041 /nfs/dbraw/zinc/72/60/41/563726041.db2.gz BQYDTSDJQOGKBB-CQSZACIVSA-N 0 3 323.293 4.068 40 0 DIABHN CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)n1 ZINC000329044255 563833408 /nfs/dbraw/zinc/83/34/08/563833408.db2.gz SVTBXYWRCHGNBL-AWEZNQCLSA-N 0 3 324.472 4.293 40 0 DIABHN CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C)n1 ZINC000329033793 563833849 /nfs/dbraw/zinc/83/38/49/563833849.db2.gz QWDSHZLYVASFEU-AWEZNQCLSA-N 0 3 324.472 4.337 40 0 DIABHN C[C@H](N[C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951411 563923411 /nfs/dbraw/zinc/92/34/11/563923411.db2.gz AARQIPNIUYKDTQ-NYVOZVTQSA-N 0 3 319.448 4.063 40 0 DIABHN CCCOc1ccc(C(=O)[C@H](CN(C)C)c2ccccc2)cc1 ZINC000003068306 563941924 /nfs/dbraw/zinc/94/19/24/563941924.db2.gz XPCSEUAVZBRTEN-LJQANCHMSA-N 0 3 311.425 4.004 40 0 DIABHN Cc1cnc(Nc2cccc([C@H]3CCCN3CC3CC3)n2)s1 ZINC000072375232 191139450 /nfs/dbraw/zinc/13/94/50/191139450.db2.gz GEGBCGDVTKOOLR-OAHLLOKOSA-N 0 3 314.458 4.137 40 0 DIABHN C[C@@H]1C[C@H](C)CN(Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393363 191148793 /nfs/dbraw/zinc/14/87/93/191148793.db2.gz DPNZUHQWLYTKES-PHIMTYICSA-N 0 3 311.351 4.060 40 0 DIABHN CCC[C@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004652792 181131951 /nfs/dbraw/zinc/13/19/51/181131951.db2.gz GCUZTKRRUTYKPX-UYMUPBKUSA-N 0 3 309.453 4.486 40 0 DIABHN CCN1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638879 191333696 /nfs/dbraw/zinc/33/36/96/191333696.db2.gz GQLDKHSOPNEADO-UHFFFAOYSA-N 0 3 323.259 4.168 40 0 DIABHN c1ccc2c(c1)CCc1ccccc1N2[C@H]1CN2CCC1CC2 ZINC000005162687 181212423 /nfs/dbraw/zinc/21/24/23/181212423.db2.gz JCBQCKFFSPGEDY-NRFANRHFSA-N 0 3 304.437 4.018 40 0 in-man DIABHN O=C(c1ccccc1)[C@@H]1CN(C2CCCC2)[C@H]1c1ccccc1 ZINC000005412044 181240193 /nfs/dbraw/zinc/24/01/93/181240193.db2.gz DYOADTOJACZXAL-UXHICEINSA-N 0 3 305.421 4.485 40 0 DIABHN CCC(=O)[C@](CCN(C)C)(c1cccs1)C1CCCCC1 ZINC000005964798 181301327 /nfs/dbraw/zinc/30/13/27/181301327.db2.gz MTUJSLYLOCBLKQ-GOSISDBHSA-N 0 3 307.503 4.497 40 0 DIABHN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000005968226 181302049 /nfs/dbraw/zinc/30/20/49/181302049.db2.gz JFFVUPLRAUGKIO-UHFFFAOYSA-N 0 3 308.425 4.233 40 0 DIABHN O=C(C[C@@H](c1ccccc1)N1CCCCC1)OCc1ccccc1 ZINC000006580099 181356467 /nfs/dbraw/zinc/35/64/67/181356467.db2.gz PWMHOMZHKCPYAJ-FQEVSTJZSA-N 0 3 323.436 4.347 40 0 DIABHN CCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261732 181450274 /nfs/dbraw/zinc/45/02/74/181450274.db2.gz SWYXIXWNHAWOGU-UHFFFAOYSA-N 0 3 317.404 4.303 40 0 DIABHN c1ccc(-c2nc3ccccc3nc2CN2CCCCC2)cc1 ZINC000016492028 182047609 /nfs/dbraw/zinc/04/76/09/182047609.db2.gz FOLPROHTKZCZHU-UHFFFAOYSA-N 0 3 303.409 4.283 40 0 DIABHN Fc1cccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293835 182113564 /nfs/dbraw/zinc/11/35/64/182113564.db2.gz LMFJXEGIOGUMAO-MRXNPFEDSA-N 0 3 309.388 4.082 40 0 DIABHN CCN(CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000022871018 182338642 /nfs/dbraw/zinc/33/86/42/182338642.db2.gz HLZZHRVERPITLD-ZDUSSCGKSA-N 0 3 323.695 4.029 40 0 DIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000039745095 183021855 /nfs/dbraw/zinc/02/18/55/183021855.db2.gz HXXXZRQZFDVLPJ-UHFFFAOYSA-N 0 3 322.452 4.154 40 0 DIABHN CN1CC=C([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000065743350 184378514 /nfs/dbraw/zinc/37/85/14/184378514.db2.gz CAQVAQIJQYJEND-LJQANCHMSA-N 0 3 324.855 4.227 40 0 in-vitro DIABHN Cc1cc([C@H](N)c2ccccc2)cnc1N(C)c1ccccc1 ZINC000072222312 257123746 /nfs/dbraw/zinc/12/37/46/257123746.db2.gz XITCQCZZTWDLSJ-LJQANCHMSA-N 0 3 303.409 4.206 40 0 DIABHN Cc1nc(N(C)c2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224393 257123838 /nfs/dbraw/zinc/12/38/38/257123838.db2.gz CJXNSLOSZUMRQG-HXUWFJFHSA-N 0 3 303.409 4.206 40 0 DIABHN CCCCN1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216126 257124697 /nfs/dbraw/zinc/12/46/97/257124697.db2.gz QHQSVDNWQVMUKM-GOSISDBHSA-N 0 3 301.478 4.399 40 0 DIABHN c1ccc(CN2CCCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215949 257124741 /nfs/dbraw/zinc/12/47/41/257124741.db2.gz GTWVOMKEKDIKRC-FQEVSTJZSA-N 0 3 321.468 4.409 40 0 DIABHN c1ccc(CN2CCCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215948 257125395 /nfs/dbraw/zinc/12/53/95/257125395.db2.gz GTWVOMKEKDIKRC-HXUWFJFHSA-N 0 3 321.468 4.409 40 0 DIABHN CCCN1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216660 257125605 /nfs/dbraw/zinc/12/56/05/257125605.db2.gz BVIVSVFVKBXAJL-GOSISDBHSA-N 0 3 301.478 4.399 40 0 DIABHN CCCCN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214384 257125841 /nfs/dbraw/zinc/12/58/41/257125841.db2.gz HIZLMJDTWYQTLB-HNNXBMFYSA-N 0 3 319.449 4.366 40 0 DIABHN CC(C)CN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214382 257126176 /nfs/dbraw/zinc/12/61/76/257126176.db2.gz FGCXXWVYFFWQKM-HNNXBMFYSA-N 0 3 319.449 4.222 40 0 DIABHN CC(C)N1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214338 257126396 /nfs/dbraw/zinc/12/63/96/257126396.db2.gz SYWXQAFQJAWZAY-OAHLLOKOSA-N 0 3 319.449 4.364 40 0 DIABHN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072214931 257126672 /nfs/dbraw/zinc/12/66/72/257126672.db2.gz WZXQEGHZRYHBLE-OAHLLOKOSA-N 0 3 319.449 4.046 40 0 DIABHN CCN(C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212743 257127229 /nfs/dbraw/zinc/12/72/29/257127229.db2.gz YRULCNPQPIMKLV-LJQANCHMSA-N 0 3 309.457 4.265 40 0 DIABHN CCN(CC)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212826 257127474 /nfs/dbraw/zinc/12/74/74/257127474.db2.gz BESZXTKJHZCWMJ-LJQANCHMSA-N 0 3 309.457 4.265 40 0 DIABHN C[C@@H]1CCCCN1P(c1ccccc1)N1CCCC[C@H]1C ZINC000001737478 563855026 /nfs/dbraw/zinc/85/50/26/563855026.db2.gz IXYQVEWDGLGTQK-IAGOWNOFSA-N 0 3 304.418 4.373 40 0 DIABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710810 563292700 /nfs/dbraw/zinc/29/27/00/563292700.db2.gz SGFGQSKEXCCYTI-RTBURBONSA-N 0 3 315.457 4.012 40 0 DIABHN COCCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008469031 563347418 /nfs/dbraw/zinc/34/74/18/563347418.db2.gz ZCAYUFASYAZLIY-UHFFFAOYSA-N 0 3 321.420 4.155 40 0 DIABHN Clc1ccc(C2(CN(Cc3ccccn3)C3CC3)CC2)cc1 ZINC000012364465 563366998 /nfs/dbraw/zinc/36/69/98/563366998.db2.gz WBGDPJCBSJZLNE-UHFFFAOYSA-N 0 3 312.844 4.431 40 0 DIABHN COc1ccc(C2(NCc3ccc4ncccc4c3)CC2)cc1 ZINC000012361883 563367188 /nfs/dbraw/zinc/36/71/88/563367188.db2.gz KPRCMTYUDUMPOV-UHFFFAOYSA-N 0 3 304.393 4.022 40 0 DIABHN O=c1oc2ccccc2c(Nc2ccccc2)c1CN1CCCC1 ZINC000000272743 563584037 /nfs/dbraw/zinc/58/40/37/563584037.db2.gz UKZIIUVGIXOPDF-UHFFFAOYSA-N 0 3 320.392 4.132 40 0 DIABHN O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000012481018 563652460 /nfs/dbraw/zinc/65/24/60/563652460.db2.gz XTYHVZOJOZJRJQ-UHFFFAOYSA-N 0 3 313.828 4.435 40 0 DIABHN CCn1c(CNCc2ccc(OC)cc2)ccc1CC(C)C ZINC000226020448 563767824 /nfs/dbraw/zinc/76/78/24/563767824.db2.gz MTAZPKAAWNVZBF-UHFFFAOYSA-N 0 3 300.446 4.005 40 0 DIABHN CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C)n1 ZINC000329033798 563833426 /nfs/dbraw/zinc/83/34/26/563833426.db2.gz QWDSHZLYVASFEU-CQSZACIVSA-N 0 3 324.472 4.337 40 0 DIABHN Cc1ccc(CN2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251136 563913291 /nfs/dbraw/zinc/91/32/91/563913291.db2.gz FGCOLLOUEVFJAO-UHFFFAOYSA-N 0 3 304.393 4.426 40 0 DIABHN CCC[C@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 ZINC000001569406 568412308 /nfs/dbraw/zinc/41/23/08/568412308.db2.gz RRODMYNEUWOESW-WMZOPIPTSA-N 0 3 303.446 4.336 40 0 DIABHN CC[C@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524701 1056063982 /nfs/dbraw/zinc/06/39/82/1056063982.db2.gz SCKAFJMISVPZKW-CYBMUJFWSA-N 0 3 314.212 4.114 40 0 DIABHN CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@@H]2CC[C@H](C1)N2C ZINC000005019613 181191896 /nfs/dbraw/zinc/19/18/96/181191896.db2.gz JIKAVSKPMLXRKC-HEBLUMGWSA-N 0 3 324.468 4.079 40 0 DIABHN C[C@@H]1CCCCN1Cc1ccccc1CC(=O)c1ccccc1 ZINC000005187339 181215052 /nfs/dbraw/zinc/21/50/52/181215052.db2.gz NTDITIGBWSJJEV-QGZVFWFLSA-N 0 3 307.437 4.486 40 0 DIABHN C[C@@H](CN1CC2CCC(CC2)C1)C(=O)c1ccc(Cl)s1 ZINC000006487188 181344992 /nfs/dbraw/zinc/34/49/92/181344992.db2.gz QUOYCTBLNABMIY-HIFPTAJRSA-N 0 3 311.878 4.342 40 0 DIABHN Cc1csc(-c2cc([C@H]3CCCCN3C(C)C)nc(C)n2)n1 ZINC000257282315 203010482 /nfs/dbraw/zinc/01/04/82/203010482.db2.gz OTGKYQIAXSEPKD-MRXNPFEDSA-N 0 3 316.474 4.152 40 0 DIABHN Fc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1 ZINC000016401759 182043903 /nfs/dbraw/zinc/04/39/03/182043903.db2.gz AMAHFEBBIHFCBZ-UHFFFAOYSA-N 0 3 305.780 4.310 40 0 DIABHN CC(C)(C)c1noc([C@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000019084649 182104721 /nfs/dbraw/zinc/10/47/21/182104721.db2.gz UFJKMROZPHQMIK-ZDUSSCGKSA-N 0 3 319.836 4.010 40 0 DIABHN Fc1ccccc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019349019 182117885 /nfs/dbraw/zinc/11/78/85/182117885.db2.gz ZLEOOIZNIZLEQH-INIZCTEOSA-N 0 3 309.388 4.082 40 0 DIABHN N[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000019365771 182118780 /nfs/dbraw/zinc/11/87/80/182118780.db2.gz QHUYQHXMNCGJAS-MMHMDJKXSA-N 0 3 306.453 4.445 40 0 DIABHN CCOc1ccc(Cl)cc1CNCCc1ccc(OC)cc1 ZINC000022074615 182307910 /nfs/dbraw/zinc/30/79/10/182307910.db2.gz LWPBNKXWMGGVMM-UHFFFAOYSA-N 0 3 319.832 4.080 40 0 DIABHN Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218789 257124550 /nfs/dbraw/zinc/12/45/50/257124550.db2.gz YPUPGRWSEBXAJS-FQEVSTJZSA-N 0 3 321.468 4.327 40 0 DIABHN Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N(C)C ZINC000072218647 257125047 /nfs/dbraw/zinc/12/50/47/257125047.db2.gz TUWXORDSYQVNFW-LJQANCHMSA-N 0 3 309.457 4.183 40 0 DIABHN CCCCN1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216707 257125104 /nfs/dbraw/zinc/12/51/04/257125104.db2.gz XDWSHOUFWJHGDI-GOSISDBHSA-N 0 3 301.478 4.399 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215972 257125107 /nfs/dbraw/zinc/12/51/07/257125107.db2.gz XADLMMXPZFBVHA-IBGZPJMESA-N 0 3 307.441 4.019 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216032 257125159 /nfs/dbraw/zinc/12/51/59/257125159.db2.gz XRFFUUNCGQGQEM-FQEVSTJZSA-N 0 3 321.468 4.409 40 0 DIABHN CCCN1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216661 257125185 /nfs/dbraw/zinc/12/51/85/257125185.db2.gz BVIVSVFVKBXAJL-SFHVURJKSA-N 0 3 301.478 4.399 40 0 DIABHN CC(C)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216663 257125640 /nfs/dbraw/zinc/12/56/40/257125640.db2.gz BBQZKWDVLNILBK-SFHVURJKSA-N 0 3 301.478 4.397 40 0 DIABHN CC(C)CN1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216125 257125684 /nfs/dbraw/zinc/12/56/84/257125684.db2.gz SSJUQJGJGIFECR-SFHVURJKSA-N 0 3 301.478 4.255 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213828 257126021 /nfs/dbraw/zinc/12/60/21/257126021.db2.gz JQPQSDYOYABOCB-IBGZPJMESA-N 0 3 307.441 4.383 40 0 DIABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214871 257126171 /nfs/dbraw/zinc/12/61/71/257126171.db2.gz KRQCRXJQUVJVBG-OAHLLOKOSA-N 0 3 319.449 4.046 40 0 DIABHN CC(C)CN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212022 257126985 /nfs/dbraw/zinc/12/69/85/257126985.db2.gz IIFRNFPXBLFDHX-LJQANCHMSA-N 0 3 310.441 4.454 40 0 DIABHN CN(C)CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585265645 563537159 /nfs/dbraw/zinc/53/71/59/563537159.db2.gz WFXIOALQYSXKPZ-UHFFFAOYSA-N 0 3 309.768 4.212 40 0 DIABHN CCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007261321 333002994 /nfs/dbraw/zinc/00/29/94/333002994.db2.gz DVZDMICZSJKMML-UHFFFAOYSA-N 0 3 301.386 4.013 40 0 DIABHN c1ccc(CNCc2ccc(C[NH2+]Cc3ccccc3)cc2)cc1 ZINC000001620958 563288219 /nfs/dbraw/zinc/28/82/19/563288219.db2.gz PSMQNQWPTFFHIR-UHFFFAOYSA-N 0 3 316.448 4.266 40 0 DIABHN c1ccc(CNCc2ccc(CNCc3ccccc3)cc2)cc1 ZINC000001620958 563288221 /nfs/dbraw/zinc/28/82/21/563288221.db2.gz PSMQNQWPTFFHIR-UHFFFAOYSA-N 0 3 316.448 4.266 40 0 DIABHN CN(Cc1ccccc1)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000001632677 563288643 /nfs/dbraw/zinc/28/86/43/563288643.db2.gz LCBITDWMTQEONN-QFIPXVFZSA-N 0 3 317.432 4.400 40 0 DIABHN CC(=O)OC1C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000001719800 563293152 /nfs/dbraw/zinc/29/31/52/563293152.db2.gz OBNUWEBINMHPGX-PMACEKPBSA-N 0 3 309.409 4.126 40 0 DIABHN CCN(CC)CCOC(=O)[C@@]1(C2CCCCC2)CC=CCC1 ZINC000001719284 563293164 /nfs/dbraw/zinc/29/31/64/563293164.db2.gz FXXLEWYHZLZWQG-IBGZPJMESA-N 0 3 307.478 4.178 40 0 DIABHN O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 ZINC000002017910 563297357 /nfs/dbraw/zinc/29/73/57/563297357.db2.gz IJIHPPHWXPHTRG-IBGZPJMESA-N 0 3 322.408 4.056 40 0 DIABHN Fc1cccc(Cc2cnc([C@H]3CCCN3C3CCCC3)o2)c1 ZINC000257228312 563790908 /nfs/dbraw/zinc/79/09/08/563790908.db2.gz FTJJNMRZCYUELR-GOSISDBHSA-N 0 3 314.404 4.484 40 0 DIABHN CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)n1 ZINC000329044257 563833712 /nfs/dbraw/zinc/83/37/12/563833712.db2.gz SVTBXYWRCHGNBL-CQSZACIVSA-N 0 3 324.472 4.293 40 0 DIABHN Cc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000226251151 563913444 /nfs/dbraw/zinc/91/34/44/563913444.db2.gz HUKKPKGYPGLUIW-UHFFFAOYSA-N 0 3 303.409 4.161 40 0 DIABHN C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000012342198 563920974 /nfs/dbraw/zinc/92/09/74/563920974.db2.gz UZHMQBMKYWOFAJ-IHRRRGAJSA-N 0 3 309.837 4.148 40 0 DIABHN C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000013136928 563921006 /nfs/dbraw/zinc/92/10/06/563921006.db2.gz GBAHPMMVENBPNR-IHRRRGAJSA-N 0 3 309.837 4.148 40 0 DIABHN CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375165 191139172 /nfs/dbraw/zinc/13/91/72/191139172.db2.gz UAVZLYLQFSRSDA-CQSZACIVSA-N 0 3 316.474 4.465 40 0 DIABHN CN1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744324 181146212 /nfs/dbraw/zinc/14/62/12/181146212.db2.gz CMARNPIDSNAMJM-ROUUACIJSA-N 0 3 301.817 4.150 40 0 in-man DIABHN O=C(c1ccccc1)[C@H]1CN(C2CCCC2)[C@H]1c1ccccc1 ZINC000005412049 181240327 /nfs/dbraw/zinc/24/03/27/181240327.db2.gz DYOADTOJACZXAL-PMACEKPBSA-N 0 3 305.421 4.485 40 0 DIABHN CN(Cc1ccccc1)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000005599790 181262521 /nfs/dbraw/zinc/26/25/21/181262521.db2.gz LCBITDWMTQEONN-JOCHJYFZSA-N 0 3 317.432 4.400 40 0 DIABHN CC(C)(C)c1noc([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000019084647 182104839 /nfs/dbraw/zinc/10/48/39/182104839.db2.gz UFJKMROZPHQMIK-CYBMUJFWSA-N 0 3 319.836 4.010 40 0 DIABHN CN1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000019366065 182118846 /nfs/dbraw/zinc/11/88/46/182118846.db2.gz ATBWRPNTOXXOBL-MOPGFXCFSA-N 0 3 314.860 4.113 40 0 DIABHN CCN(CC)C[C@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C ZINC000022858996 182338120 /nfs/dbraw/zinc/33/81/20/182338120.db2.gz BFTKLTXWDUKHIE-RTWAWAEBSA-N 0 3 323.484 4.168 40 0 DIABHN Cc1cc([C@H](N)c2ccccc2)cnc1OCc1ccccc1 ZINC000072222393 257123098 /nfs/dbraw/zinc/12/30/98/257123098.db2.gz AACYJVSZMVLGCU-LJQANCHMSA-N 0 3 304.393 4.017 40 0 DIABHN Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072218909 257123990 /nfs/dbraw/zinc/12/39/90/257123990.db2.gz UFAPISWVNBPNBB-FQEVSTJZSA-N 0 3 321.468 4.327 40 0 DIABHN Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N1CCCCC1 ZINC000072219180 257124207 /nfs/dbraw/zinc/12/42/07/257124207.db2.gz DMFYMBVLHYTBMO-SFHVURJKSA-N 0 3 301.478 4.316 40 0 DIABHN CCCN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216720 257125572 /nfs/dbraw/zinc/12/55/72/257125572.db2.gz WNLURJNNFYTTSL-GOSISDBHSA-N 0 3 301.478 4.399 40 0 DIABHN CCCCN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214323 257126068 /nfs/dbraw/zinc/12/60/68/257126068.db2.gz YJHDZVGZRJEOCJ-OAHLLOKOSA-N 0 3 319.449 4.366 40 0 DIABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2NC2CC2)cc1 ZINC000072213744 257126536 /nfs/dbraw/zinc/12/65/36/257126536.db2.gz ABIDYRCQQLPPFL-LJQANCHMSA-N 0 3 307.441 4.383 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213888 257126633 /nfs/dbraw/zinc/12/66/33/257126633.db2.gz MSMNZPZMBAFRQQ-IBGZPJMESA-N 0 3 307.441 4.383 40 0 DIABHN CCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007261322 333002837 /nfs/dbraw/zinc/00/28/37/333002837.db2.gz ZSTMDMXOUJUJEI-UHFFFAOYSA-N 0 3 315.413 4.403 40 0 DIABHN COc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1 ZINC000020006545 563678449 /nfs/dbraw/zinc/67/84/49/563678449.db2.gz AEPGHTBUTDBPBM-UHFFFAOYSA-N 0 3 310.224 4.334 40 0 DIABHN Clc1cccc(CN2CC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000049168853 560084801 /nfs/dbraw/zinc/08/48/01/560084801.db2.gz WMBLAXOKZFMHGA-AWEZNQCLSA-N 0 3 312.800 4.471 40 0 biogenic,in-vitro DIABHN O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000001747996 563294747 /nfs/dbraw/zinc/29/47/47/563294747.db2.gz FCFBSTQJUHPEID-UHFFFAOYSA-N 0 3 307.437 4.264 40 0 DIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000007016444 563336000 /nfs/dbraw/zinc/33/60/00/563336000.db2.gz NUYGIPRWYYLSJV-UHFFFAOYSA-N 0 3 308.425 4.171 40 0 DIABHN CC[C@H](C)NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008326778 563345738 /nfs/dbraw/zinc/34/57/38/563345738.db2.gz LHFSZGIZFVMGJY-AWEZNQCLSA-N 0 3 317.404 4.301 40 0 DIABHN CCOC[C@@H]1c2ccccc2CCN1Cc1c[nH]c2ccccc12 ZINC000031669938 563440386 /nfs/dbraw/zinc/44/03/86/563440386.db2.gz YQTCYADVPQXATE-OAQYLSRUSA-N 0 3 320.436 4.304 40 0 DIABHN CC(C)NCSCc1ccccc1CSCNC(C)C ZINC000068604825 563495524 /nfs/dbraw/zinc/49/55/24/563495524.db2.gz VGSMNJBRROMVHK-UHFFFAOYSA-N 0 3 312.548 4.064 40 0 DIABHN C[C@H](N[C@@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951409 563531423 /nfs/dbraw/zinc/53/14/23/563531423.db2.gz AARQIPNIUYKDTQ-BWAGFHJFSA-N 0 3 319.448 4.063 40 0 DIABHN COc1cccc(CNC(C)(C)C)c1OCc1ccccc1F ZINC000006882594 563639336 /nfs/dbraw/zinc/63/93/36/563639336.db2.gz SFLQTPUMTYVCRX-UHFFFAOYSA-N 0 3 317.404 4.301 40 0 DIABHN Fc1ccc2oc([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 ZINC000035446908 563867390 /nfs/dbraw/zinc/86/73/90/563867390.db2.gz HHXCDCPMHLMSBD-ZDUSSCGKSA-N 0 3 314.335 4.096 40 0 biogenic,in-vitro DIABHN C[C@@H](N[C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951412 563923399 /nfs/dbraw/zinc/92/33/99/563923399.db2.gz AARQIPNIUYKDTQ-COPCDDAFSA-N 0 3 319.448 4.063 40 0 DIABHN CN(C)C[C@@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537485 181120761 /nfs/dbraw/zinc/12/07/61/181120761.db2.gz KBGPTRHFMZERIT-DDKKJVIOSA-N 0 3 301.817 4.105 40 0 DIABHN CCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004652793 181132332 /nfs/dbraw/zinc/13/23/32/181132332.db2.gz GCUZTKRRUTYKPX-KJRRRBQDSA-N 0 3 309.453 4.486 40 0 DIABHN Cc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000005981927 181303535 /nfs/dbraw/zinc/30/35/35/181303535.db2.gz BPRJSZNTBJFEAC-UHFFFAOYSA-N 0 3 308.425 4.233 40 0 DIABHN C[C@@H]1CN=C(c2cccc(-c3ccc(-c4ccccc4)o3)c2)N1 ZINC000006488551 181345102 /nfs/dbraw/zinc/34/51/02/181345102.db2.gz WAEHMWVHYABFND-CQSZACIVSA-N 0 3 302.377 4.352 40 0 DIABHN CC(C)c1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019453312 182123537 /nfs/dbraw/zinc/12/35/37/182123537.db2.gz KAKIUANEYZFNNT-VQTJNVASSA-N 0 3 313.416 4.221 40 0 DIABHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCCC1 ZINC000019934064 182167490 /nfs/dbraw/zinc/16/74/90/182167490.db2.gz KKFVBBXEDHGNPO-UHFFFAOYSA-N 0 3 314.473 4.077 40 0 DIABHN CNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875638 182251743 /nfs/dbraw/zinc/25/17/43/182251743.db2.gz XEQUTPSTLSVFSY-UHFFFAOYSA-N 0 3 300.583 4.082 40 0 DIABHN Cc1cc([C@H](N)c2ccccc2)cnc1NCc1ccccc1 ZINC000072222339 257123269 /nfs/dbraw/zinc/12/32/69/257123269.db2.gz OXQAZRIHOANUQV-LJQANCHMSA-N 0 3 303.409 4.050 40 0 DIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1OCc1ccccc1 ZINC000072222394 257123462 /nfs/dbraw/zinc/12/34/62/257123462.db2.gz AACYJVSZMVLGCU-IBGZPJMESA-N 0 3 304.393 4.017 40 0 DIABHN Cc1cc(N2CCc3ccccc32)ncc1[C@H](N)c1ccccc1 ZINC000072223953 257123519 /nfs/dbraw/zinc/12/35/19/257123519.db2.gz QXZFLKSLQXVKOY-OAQYLSRUSA-N 0 3 315.420 4.132 40 0 DIABHN Cc1cc(N(C)c2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223352 257123803 /nfs/dbraw/zinc/12/38/03/257123803.db2.gz LHLAVRNQBKXCKU-FQEVSTJZSA-N 0 3 303.409 4.206 40 0 DIABHN N[C@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 ZINC000072225418 257123813 /nfs/dbraw/zinc/12/38/13/257123813.db2.gz GRRLESCGPBYOLD-LJQANCHMSA-N 0 3 306.434 4.422 40 0 DIABHN CC(C)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216662 257125178 /nfs/dbraw/zinc/12/51/78/257125178.db2.gz BBQZKWDVLNILBK-GOSISDBHSA-N 0 3 301.478 4.397 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213827 257125860 /nfs/dbraw/zinc/12/58/60/257125860.db2.gz JQPQSDYOYABOCB-LJQANCHMSA-N 0 3 307.441 4.383 40 0 DIABHN c1ccc(CN2CCCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213804 257125870 /nfs/dbraw/zinc/12/58/70/257125870.db2.gz FNFGSZGHMKSCRZ-LJQANCHMSA-N 0 3 307.441 4.383 40 0 DIABHN CCCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214396 257126051 /nfs/dbraw/zinc/12/60/51/257126051.db2.gz GUEJEBAKBFDSMD-OAHLLOKOSA-N 0 3 319.449 4.366 40 0 DIABHN C[C@H]1CCCN(P(c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000001737479 563294688 /nfs/dbraw/zinc/29/46/88/563294688.db2.gz RTEVWEPQWAUGNR-IRXDYDNUSA-N 0 3 304.418 4.088 40 0 DIABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OC ZINC000008253690 563345443 /nfs/dbraw/zinc/34/54/43/563345443.db2.gz YJQRVAPLYONYOO-UHFFFAOYSA-N 0 3 311.834 4.099 40 0 DIABHN CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1 ZINC000008254054 563345509 /nfs/dbraw/zinc/34/55/09/563345509.db2.gz SPFHDHNISHJWPQ-UHFFFAOYSA-N 0 3 305.805 4.037 40 0 DIABHN CN1CCc2c3ccccc3[nH]c2C[C@@H](c2ccccc2)CC1 ZINC000013679807 563385323 /nfs/dbraw/zinc/38/53/23/563385323.db2.gz MEHMCAALFDXXGP-KRWDZBQOSA-N 0 3 304.437 4.372 40 0 DIABHN Fc1ccc(Oc2ccccc2)c(OCCN2CCCCC2)c1 ZINC000585265235 563537179 /nfs/dbraw/zinc/53/71/79/563537179.db2.gz JYBGSDWGBFHTGZ-UHFFFAOYSA-N 0 3 315.388 4.483 40 0 DIABHN COc1cc(CNC2CC2)ccc1OCc1ccccc1Cl ZINC000008472111 563642411 /nfs/dbraw/zinc/64/24/11/563642411.db2.gz BLPVCHBILLVHED-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN COc1cccc(CNC2CC2)c1OCc1ccc(Cl)cc1 ZINC000008495274 563642883 /nfs/dbraw/zinc/64/28/83/563642883.db2.gz MUBYPVHAHXBJLM-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN COc1cccc(CNC2CC2)c1OCc1ccccc1Cl ZINC000008495563 563642980 /nfs/dbraw/zinc/64/29/80/563642980.db2.gz GBNLEYFWTBRUJT-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN CCc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010364691 563648522 /nfs/dbraw/zinc/64/85/22/563648522.db2.gz DILWFYNBTAHGES-UHFFFAOYSA-N 0 3 308.425 4.097 40 0 DIABHN N[C@@H](Cc1ccccc1)C(F)(c1ccccc1)c1ccccc1 ZINC000002506619 563854969 /nfs/dbraw/zinc/85/49/69/563854969.db2.gz MAQPVYODFPAVII-FQEVSTJZSA-N 0 3 305.396 4.470 40 0 DIABHN CCC[C@@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 ZINC000001569407 568412170 /nfs/dbraw/zinc/41/21/70/568412170.db2.gz RRODMYNEUWOESW-SJLPKXTDSA-N 0 3 303.446 4.336 40 0 DIABHN CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357523 191130419 /nfs/dbraw/zinc/13/04/19/191130419.db2.gz XLBYJDVNOCGMRG-QGZVFWFLSA-N 0 3 320.358 4.458 40 0 DIABHN CN(C)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537483 181120705 /nfs/dbraw/zinc/12/07/05/181120705.db2.gz KBGPTRHFMZERIT-JXCVUKRWSA-N 0 3 301.817 4.105 40 0 DIABHN CNc1cccc2c(OC)ccc(C(=N)c3ccc(OC)cc3)c12 ZINC000004638917 181130918 /nfs/dbraw/zinc/13/09/18/181130918.db2.gz FLTWPCYPWQJMSA-UHFFFAOYSA-N 0 3 320.392 4.315 40 0 DIABHN C[C@H](NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004969221 181181083 /nfs/dbraw/zinc/18/10/83/181181083.db2.gz HGWKOWHSFFTYKL-HNNXBMFYSA-N 0 3 308.425 4.213 40 0 DIABHN Cc1ccc2c(c1)OC1(CCN(C(C)C)CC1)[C@H]1CCCO[C@H]21 ZINC000257309715 203033968 /nfs/dbraw/zinc/03/39/68/203033968.db2.gz UCCKCYYILLZTEV-PKOBYXMFSA-N 0 3 315.457 4.098 40 0 DIABHN Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccn12 ZINC000019240673 182111501 /nfs/dbraw/zinc/11/15/01/182111501.db2.gz VOQCPYXNEWOBFE-QGZVFWFLSA-N 0 3 323.415 4.161 40 0 DIABHN Fc1ccccc1CN1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000019348905 182117663 /nfs/dbraw/zinc/11/76/63/182117663.db2.gz HHWIQKIBQIHFPT-UHFFFAOYSA-N 0 3 309.388 4.082 40 0 DIABHN Fc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019345307 182117972 /nfs/dbraw/zinc/11/79/72/182117972.db2.gz MUCQFJCRMQYRMZ-OAHLLOKOSA-N 0 3 309.388 4.082 40 0 DIABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022524186 182324912 /nfs/dbraw/zinc/32/49/12/182324912.db2.gz PDJLGRFMMHFHSN-UHFFFAOYSA-N 0 3 322.452 4.479 40 0 DIABHN CN1CC=C([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000065743351 184378672 /nfs/dbraw/zinc/37/86/72/184378672.db2.gz CAQVAQIJQYJEND-IBGZPJMESA-N 0 3 324.855 4.227 40 0 in-vitro DIABHN Cc1cc(N(C)Cc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223405 257123180 /nfs/dbraw/zinc/12/31/80/257123180.db2.gz OQQGINUPDZVWFP-OAQYLSRUSA-N 0 3 317.436 4.075 40 0 DIABHN Cc1cc(NCc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223379 257123231 /nfs/dbraw/zinc/12/32/31/257123231.db2.gz XYQHEWDJPSMBMT-FQEVSTJZSA-N 0 3 303.409 4.050 40 0 DIABHN Cc1nc(NCc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224420 257123272 /nfs/dbraw/zinc/12/32/72/257123272.db2.gz ZBJXICCBSBFANG-HXUWFJFHSA-N 0 3 303.409 4.050 40 0 DIABHN Cc1nc(N(C)Cc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224448 257123699 /nfs/dbraw/zinc/12/36/99/257123699.db2.gz QAZDMYXMVIRCNR-NRFANRHFSA-N 0 3 317.436 4.075 40 0 DIABHN Cc1nc(N2CCc3ccccc32)ccc1[C@H](N)c1ccccc1 ZINC000072224995 257123719 /nfs/dbraw/zinc/12/37/19/257123719.db2.gz AUTVIUNJGAWBDN-OAQYLSRUSA-N 0 3 315.420 4.132 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216091 257125370 /nfs/dbraw/zinc/12/53/70/257125370.db2.gz AANDTDZMPOIEJR-HXUWFJFHSA-N 0 3 321.468 4.409 40 0 DIABHN CCCCN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214324 257126043 /nfs/dbraw/zinc/12/60/43/257126043.db2.gz YJHDZVGZRJEOCJ-HNNXBMFYSA-N 0 3 319.449 4.366 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213887 257126254 /nfs/dbraw/zinc/12/62/54/257126254.db2.gz MSMNZPZMBAFRQQ-LJQANCHMSA-N 0 3 307.441 4.383 40 0 DIABHN c1csc(CO[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000001734065 563294594 /nfs/dbraw/zinc/29/45/94/563294594.db2.gz QWEQTGGAXPDBJB-GOSISDBHSA-N 0 3 301.455 4.492 40 0 DIABHN CN(C)CCOc1c(Cc2ccccc2)ccc2ccccc21 ZINC000001586336 563286346 /nfs/dbraw/zinc/28/63/46/563286346.db2.gz ZWULITCBDVCPEH-UHFFFAOYSA-N 0 3 305.421 4.371 40 0 DIABHN CC(=O)Nc1ccc2c(c1)[C@@H](N1CCCCC1)c1ccccc1-2 ZINC000001602360 563287527 /nfs/dbraw/zinc/28/75/27/563287527.db2.gz NJLDMBUQUAPTOL-FQEVSTJZSA-N 0 3 306.409 4.201 40 0 DIABHN CN1CCc2c3ccccc3[nH]c2C[C@H](c2ccccc2)CC1 ZINC000013679805 563385559 /nfs/dbraw/zinc/38/55/59/563385559.db2.gz MEHMCAALFDXXGP-QGZVFWFLSA-N 0 3 304.437 4.372 40 0 DIABHN O=C(/C=C\c1ccccc1)OCc1ccccc1CN1C=CCC1 ZINC000017004276 563413662 /nfs/dbraw/zinc/41/36/62/563413662.db2.gz PVNMMULREXJMLK-SEYXRHQNSA-N 0 3 319.404 4.163 40 0 DIABHN CCOC[C@H]1c2ccccc2CCN1Cc1c[nH]c2ccccc12 ZINC000031669937 563440743 /nfs/dbraw/zinc/44/07/43/563440743.db2.gz YQTCYADVPQXATE-NRFANRHFSA-N 0 3 320.436 4.304 40 0 DIABHN Oc1ccc([C@H](Cc2ccccc2)NCc2ccccc2)cc1 ZINC000031962208 563441310 /nfs/dbraw/zinc/44/13/10/563441310.db2.gz HBHRPCSKQCIYPB-NRFANRHFSA-N 0 3 303.405 4.466 40 0 DIABHN C[C@@H](NCc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 ZINC000022076469 563714150 /nfs/dbraw/zinc/71/41/50/563714150.db2.gz PZQNNDCAUSTISI-FOIQADDNSA-N 0 3 307.393 4.158 40 0 DIABHN Cc1ncc2cc(C)nc([C@H]3CCCCN3Cc3ccccc3)n21 ZINC000257205505 563789967 /nfs/dbraw/zinc/78/99/67/563789967.db2.gz AZJSBSKVLWNDTI-LJQANCHMSA-N 0 3 320.440 4.073 40 0 DIABHN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H](C)C1 ZINC000001326097 563854849 /nfs/dbraw/zinc/85/48/49/563854849.db2.gz VUEZNONIYWVUJQ-DLBZAZTESA-N 0 3 322.452 4.413 40 0 DIABHN CCCN1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251024 563913311 /nfs/dbraw/zinc/91/33/11/563913311.db2.gz QKZIZBSRNWZAKB-UHFFFAOYSA-N 0 3 321.218 4.089 40 0 DIABHN CCCCCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 ZINC000001569383 568412276 /nfs/dbraw/zinc/41/22/76/568412276.db2.gz YOCFAWSYGSKHED-GOSISDBHSA-N 0 3 303.446 4.337 40 0 DIABHN CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072348587 191127775 /nfs/dbraw/zinc/12/77/75/191127775.db2.gz KHGIMYFCNGBMNH-OAHLLOKOSA-N 0 3 300.833 4.135 40 0 DIABHN CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072348583 191127336 /nfs/dbraw/zinc/12/73/36/191127336.db2.gz OSSOYFJZFLBUOO-HNNXBMFYSA-N 0 3 300.833 4.135 40 0 DIABHN Cc1cnc(Nc2cccc([C@@H]3CCCN3CC3CC3)n2)s1 ZINC000072375231 191140170 /nfs/dbraw/zinc/14/01/70/191140170.db2.gz GEGBCGDVTKOOLR-HNNXBMFYSA-N 0 3 314.458 4.137 40 0 DIABHN C[C@H]1C[C@H](C)CN(Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393364 191148887 /nfs/dbraw/zinc/14/88/87/191148887.db2.gz DPNZUHQWLYTKES-QWRGUYRKSA-N 0 3 311.351 4.060 40 0 DIABHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@H]1O ZINC000004652790 181132306 /nfs/dbraw/zinc/13/23/06/181132306.db2.gz GCUZTKRRUTYKPX-YSCIFQABSA-N 0 3 309.453 4.486 40 0 DIABHN CCN(CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000019366405 182118502 /nfs/dbraw/zinc/11/85/02/182118502.db2.gz HLZZHRVERPITLD-CYBMUJFWSA-N 0 3 323.695 4.029 40 0 DIABHN CCN(CC)C[C@@H]1c2ccccc2[C@H](CNc2ccccc2)N1C ZINC000019365210 182118564 /nfs/dbraw/zinc/11/85/64/182118564.db2.gz BFTKLTXWDUKHIE-LEWJYISDSA-N 0 3 323.484 4.168 40 0 DIABHN COc1ccccc1CN1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570061 182130437 /nfs/dbraw/zinc/13/04/37/182130437.db2.gz DCSQSCQYAHKNNV-GOSISDBHSA-N 0 3 318.420 4.233 40 0 DIABHN N[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000022588080 182326916 /nfs/dbraw/zinc/32/69/16/182326916.db2.gz QHUYQHXMNCGJAS-OWWWHOFVSA-N 0 3 306.453 4.445 40 0 DIABHN CN(C)CCN(Cc1cccs1)Cc1cccc2ccccc21 ZINC000023247840 182354617 /nfs/dbraw/zinc/35/46/17/182354617.db2.gz WIDIQZXZZKUVRD-UHFFFAOYSA-N 0 3 324.493 4.465 40 0 DIABHN c1ccc(CNC[C@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000023477018 182361690 /nfs/dbraw/zinc/36/16/90/182361690.db2.gz PMEZXKXUCLALIY-QFIPXVFZSA-N 0 3 316.448 4.307 40 0 DIABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCc2ccccc21 ZINC000072222909 257123706 /nfs/dbraw/zinc/12/37/06/257123706.db2.gz FTMRSNVQJAHKAI-HXUWFJFHSA-N 0 3 315.420 4.132 40 0 DIABHN CCCN1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219179 257124096 /nfs/dbraw/zinc/12/40/96/257124096.db2.gz RMTRZWIRCAXBTP-SFHVURJKSA-N 0 3 301.478 4.317 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215912 257125144 /nfs/dbraw/zinc/12/51/44/257125144.db2.gz ITOXHFKFWQXLSE-IBGZPJMESA-N 0 3 307.441 4.019 40 0 DIABHN c1ccc(CN2CCCC[C@H]2c2cccnc2NC2CC2)cc1 ZINC000072213745 257125918 /nfs/dbraw/zinc/12/59/18/257125918.db2.gz ABIDYRCQQLPPFL-IBGZPJMESA-N 0 3 307.441 4.383 40 0 DIABHN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072214930 257126227 /nfs/dbraw/zinc/12/62/27/257126227.db2.gz WZXQEGHZRYHBLE-HNNXBMFYSA-N 0 3 319.449 4.046 40 0 DIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214691 257126704 /nfs/dbraw/zinc/12/67/04/257126704.db2.gz ZWVCTPSCZUKVOT-OAHLLOKOSA-N 0 3 319.449 4.048 40 0 DIABHN CC(C)CNc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072213244 257127325 /nfs/dbraw/zinc/12/73/25/257127325.db2.gz IJRARKQPHYQUJQ-LJQANCHMSA-N 0 3 309.457 4.487 40 0 DIABHN CC(=O)[C@@](CCc1ccccc1)(CCN(C)C)c1ccccc1 ZINC000001577550 257231369 /nfs/dbraw/zinc/23/13/69/257231369.db2.gz HIGLEGFIFRRHOW-OAQYLSRUSA-N 0 3 309.453 4.098 40 0 DIABHN CCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000007262408 333003136 /nfs/dbraw/zinc/00/31/36/333003136.db2.gz VYLVAWWCZVDHPM-UHFFFAOYSA-N 0 3 319.832 4.427 40 0 DIABHN C[C@H](CN1CC2CCC(CC2)C1)C(=O)c1ccc(Cl)s1 ZINC000001615878 563288119 /nfs/dbraw/zinc/28/81/19/563288119.db2.gz QUOYCTBLNABMIY-PNESKVBLSA-N 0 3 311.878 4.342 40 0 DIABHN CN(C)Cc1c(OC(=O)c2ccccc2)ccc2ccccc21 ZINC000001688830 563291510 /nfs/dbraw/zinc/29/15/10/563291510.db2.gz YMISRKZYNORDAN-UHFFFAOYSA-N 0 3 305.377 4.121 40 0 DIABHN CC(C)(C)OC(=O)N1CC[C@H](N)c2c(Cl)cc(Cl)cc21 ZINC000002512911 563304999 /nfs/dbraw/zinc/30/49/99/563304999.db2.gz LDZWNGAENNODAS-JTQLQIEISA-N 0 3 317.216 4.138 40 0 DIABHN CCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000008227224 563345163 /nfs/dbraw/zinc/34/51/63/563345163.db2.gz KAZQPNCCNMJCCR-UHFFFAOYSA-N 0 3 320.230 4.138 40 0 DIABHN CC1CCN(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 ZINC000044910335 563464435 /nfs/dbraw/zinc/46/44/35/563464435.db2.gz QYDZWXUKDLQUMW-UHFFFAOYSA-N 0 3 322.452 4.195 40 0 DIABHN CC(C)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257250987 563792821 /nfs/dbraw/zinc/79/28/21/563792821.db2.gz JOWHNFDXNOLQFT-UHFFFAOYSA-N 0 3 316.420 4.166 40 0 DIABHN COc1ccccc1CN1CC[C@H](c2nc3cc(C)ccc3o2)C1 ZINC000035446498 563867046 /nfs/dbraw/zinc/86/70/46/563867046.db2.gz SLIQPCSSDRAHRW-INIZCTEOSA-N 0 3 322.408 4.134 40 0 biogenic,in-vitro DIABHN COc1cc(CN[C@H]2CCSc3ccccc32)cc(OC)c1 ZINC000008329006 563947999 /nfs/dbraw/zinc/94/79/99/563947999.db2.gz RKASSCYNURAJEG-KRWDZBQOSA-N 0 3 315.438 4.031 40 0 DIABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OC ZINC000007538070 568412433 /nfs/dbraw/zinc/41/24/33/568412433.db2.gz SRBITVMTOPNDMR-UHFFFAOYSA-N 0 3 319.832 4.346 40 0 DIABHN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H](C)C1 ZINC000227109486 1052127050 /nfs/dbraw/zinc/12/70/50/1052127050.db2.gz VUEZNONIYWVUJQ-IAGOWNOFSA-N 0 3 322.452 4.413 40 0 DIABHN CC(C)N1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000079030441 185147532 /nfs/dbraw/zinc/14/75/32/185147532.db2.gz CVJPPNVGQUIBOP-UHFFFAOYSA-N 0 3 311.425 4.171 40 0 DIABHN CCN(CC)CCOC(=O)[C@]1(C2CCCCC2)CC=CCC1 ZINC000004896168 181169090 /nfs/dbraw/zinc/16/90/90/181169090.db2.gz FXXLEWYHZLZWQG-LJQANCHMSA-N 0 3 307.478 4.178 40 0 DIABHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H](C)C1 ZINC000004897847 181170461 /nfs/dbraw/zinc/17/04/61/181170461.db2.gz VUEZNONIYWVUJQ-IRXDYDNUSA-N 0 3 322.452 4.413 40 0 DIABHN c1csc(CO[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000006582094 181356693 /nfs/dbraw/zinc/35/66/93/181356693.db2.gz QWEQTGGAXPDBJB-SFHVURJKSA-N 0 3 301.455 4.492 40 0 DIABHN N[C@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225796 257123805 /nfs/dbraw/zinc/12/38/05/257123805.db2.gz VQWSTYMVPSIJGD-OAQYLSRUSA-N 0 3 315.420 4.214 40 0 DIABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216124 257125691 /nfs/dbraw/zinc/12/56/91/257125691.db2.gz SSJUQJGJGIFECR-GOSISDBHSA-N 0 3 301.478 4.255 40 0 DIABHN CC(C)N1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214339 257125956 /nfs/dbraw/zinc/12/59/56/257125956.db2.gz SYWXQAFQJAWZAY-HNNXBMFYSA-N 0 3 319.449 4.364 40 0 DIABHN CC(C)N1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214399 257126425 /nfs/dbraw/zinc/12/64/25/257126425.db2.gz KIPOZSXTLANQLJ-HNNXBMFYSA-N 0 3 319.449 4.364 40 0 DIABHN CC(C)CNc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072213243 257127018 /nfs/dbraw/zinc/12/70/18/257127018.db2.gz IJRARKQPHYQUJQ-IBGZPJMESA-N 0 3 309.457 4.487 40 0 DIABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213020 257127163 /nfs/dbraw/zinc/12/71/63/257127163.db2.gz HXTHWRQNVYJQKN-SFHVURJKSA-N 0 3 303.494 4.498 40 0 DIABHN CCCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007261053 333002954 /nfs/dbraw/zinc/00/29/54/333002954.db2.gz MQAMIMGFJYJKMW-UHFFFAOYSA-N 0 3 315.413 4.403 40 0 DIABHN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H]1CCCN1 ZINC000001543423 563284614 /nfs/dbraw/zinc/28/46/14/563284614.db2.gz QOTDIUAVPXJUEG-MRXNPFEDSA-N 0 3 303.298 4.047 40 0 DIABHN O=C(c1ccccc1)[C@H]1CN(C2CCCC2)[C@@H]1c1ccccc1 ZINC000001557504 563284903 /nfs/dbraw/zinc/28/49/03/563284903.db2.gz DYOADTOJACZXAL-VQTJNVASSA-N 0 3 305.421 4.485 40 0 DIABHN CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495717 563304704 /nfs/dbraw/zinc/30/47/04/563304704.db2.gz MRZPUHWOCOJGFJ-QGZVFWFLSA-N 0 3 302.462 4.205 40 0 DIABHN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc2ccccc21 ZINC000012186450 563363735 /nfs/dbraw/zinc/36/37/35/563363735.db2.gz SHQYWKYPVMUKHC-LAUBAEHRSA-N 0 3 315.420 4.200 40 0 DIABHN C[C@@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 ZINC000022076472 563713758 /nfs/dbraw/zinc/71/37/58/563713758.db2.gz PZQNNDCAUSTISI-QRWLVFNGSA-N 0 3 307.393 4.158 40 0 DIABHN C[C@@H](c1cccs1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203839 191076477 /nfs/dbraw/zinc/07/64/77/191076477.db2.gz SPRLIMZPAMKGDN-ZDUSSCGKSA-N 0 3 324.490 4.046 40 0 DIABHN O=C(CCN1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000001651135 180884303 /nfs/dbraw/zinc/88/43/03/180884303.db2.gz LTSPJTBUKVYDFH-UHFFFAOYSA-N 0 3 313.372 4.287 40 0 DIABHN CC(C)N(C)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004692034 181137599 /nfs/dbraw/zinc/13/75/99/181137599.db2.gz KAYIKQQQTHUULM-OALUTQOASA-N 0 3 315.457 4.010 40 0 DIABHN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC000005462346 181246340 /nfs/dbraw/zinc/24/63/40/181246340.db2.gz GQAVUGJFAZINAR-UHFFFAOYSA-N 0 3 323.342 4.484 40 0 DIABHN NC1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(F)cc2)C1 ZINC000222548392 201613267 /nfs/dbraw/zinc/61/32/67/201613267.db2.gz KEXDTMJKRURDGT-AWEZNQCLSA-N 0 3 324.186 4.356 40 0 DIABHN CN(C)Cc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000020506692 182226070 /nfs/dbraw/zinc/22/60/70/182226070.db2.gz ASHMGMPTNNCDMS-UHFFFAOYSA-N 0 3 311.816 4.199 40 0 DIABHN COc1ccc(CCNCc2c(Cl)cccc2Cl)cc1 ZINC000021016084 182260447 /nfs/dbraw/zinc/26/04/47/182260447.db2.gz GFLFDUALEIMJJZ-UHFFFAOYSA-N 0 3 310.224 4.334 40 0 DIABHN N[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000022588085 182327604 /nfs/dbraw/zinc/32/76/04/182327604.db2.gz QHUYQHXMNCGJAS-NSRDPVEOSA-N 0 3 306.453 4.445 40 0 DIABHN Cc1cc([C@H](N)c2ccccc2)cnc1N(C)Cc1ccccc1 ZINC000072222366 257123158 /nfs/dbraw/zinc/12/31/58/257123158.db2.gz CIKVFEOMBBNIHE-HXUWFJFHSA-N 0 3 317.436 4.075 40 0 DIABHN Cc1cc(OCc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223433 257123421 /nfs/dbraw/zinc/12/34/21/257123421.db2.gz ZTQAODVPWMLSGE-FQEVSTJZSA-N 0 3 304.393 4.017 40 0 DIABHN Cc1nc(OCc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224474 257123530 /nfs/dbraw/zinc/12/35/30/257123530.db2.gz NEYPIGSIWFNNEN-HXUWFJFHSA-N 0 3 304.393 4.017 40 0 DIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)c1ccccc1 ZINC000072222313 257123820 /nfs/dbraw/zinc/12/38/20/257123820.db2.gz XITCQCZZTWDLSJ-IBGZPJMESA-N 0 3 303.409 4.206 40 0 DIABHN Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218706 257124384 /nfs/dbraw/zinc/12/43/84/257124384.db2.gz QZJFAOJKHNTLPZ-IBGZPJMESA-N 0 3 309.457 4.183 40 0 DIABHN CCCCN1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216127 257124968 /nfs/dbraw/zinc/12/49/68/257124968.db2.gz QHQSVDNWQVMUKM-SFHVURJKSA-N 0 3 301.478 4.399 40 0 DIABHN c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216092 257125238 /nfs/dbraw/zinc/12/52/38/257125238.db2.gz AANDTDZMPOIEJR-FQEVSTJZSA-N 0 3 321.468 4.409 40 0 DIABHN CC(C)N1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214398 257126057 /nfs/dbraw/zinc/12/60/57/257126057.db2.gz KIPOZSXTLANQLJ-OAHLLOKOSA-N 0 3 319.449 4.364 40 0 DIABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072214751 257126330 /nfs/dbraw/zinc/12/63/30/257126330.db2.gz YHEHKEDGQCHJQT-OAHLLOKOSA-N 0 3 319.449 4.048 40 0 DIABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214870 257126378 /nfs/dbraw/zinc/12/63/78/257126378.db2.gz KRQCRXJQUVJVBG-HNNXBMFYSA-N 0 3 319.449 4.046 40 0 DIABHN CCN(CC)c1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072212886 257126892 /nfs/dbraw/zinc/12/68/92/257126892.db2.gz VTZBYLVEMSRNGK-LJQANCHMSA-N 0 3 309.457 4.265 40 0 DIABHN CC(=O)OC1C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 ZINC000001719801 563293124 /nfs/dbraw/zinc/29/31/24/563293124.db2.gz OBNUWEBINMHPGX-WOJBJXKFSA-N 0 3 309.409 4.126 40 0 DIABHN CCCC[NH+](CCCC)CC[N-]c1nc(-c2ccccc2)no1 ZINC000002002230 563297825 /nfs/dbraw/zinc/29/78/25/563297825.db2.gz VYWQZAARVNRSTR-UHFFFAOYSA-N 0 3 316.449 4.051 40 0 in-man DIABHN CC(C)(C)OC(=O)N1CC[C@@H](N)c2c(Cl)cc(Cl)cc21 ZINC000012647689 563372600 /nfs/dbraw/zinc/37/26/00/563372600.db2.gz LDZWNGAENNODAS-SNVBAGLBSA-N 0 3 317.216 4.138 40 0 DIABHN Oc1ccc([C@@H](Cc2ccccc2)NCc2ccccc2)cc1 ZINC000031962204 563441453 /nfs/dbraw/zinc/44/14/53/563441453.db2.gz HBHRPCSKQCIYPB-OAQYLSRUSA-N 0 3 303.405 4.466 40 0 DIABHN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000032131001 563441899 /nfs/dbraw/zinc/44/18/99/563441899.db2.gz ZXPLMKPRHWPRMQ-QFIPXVFZSA-N 0 3 317.432 4.422 40 0 DIABHN CC(C)CN1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182392 563525377 /nfs/dbraw/zinc/52/53/77/563525377.db2.gz GZDBYDFKBAOWAT-QGZVFWFLSA-N 0 3 302.393 4.197 40 0 DIABHN CC(C)(C)c1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000013998554 563549571 /nfs/dbraw/zinc/54/95/71/563549571.db2.gz XHQNRUZJHLELRV-UHFFFAOYSA-N 0 3 320.436 4.115 40 0 DIABHN c1csc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000127598227 563604563 /nfs/dbraw/zinc/60/45/63/563604563.db2.gz HNGCKCSTRXPZQO-MRXNPFEDSA-N 0 3 309.438 4.071 40 0 DIABHN CCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008227310 563641631 /nfs/dbraw/zinc/64/16/31/563641631.db2.gz DHRIYJWQTIWTJE-UHFFFAOYSA-N 0 3 305.805 4.037 40 0 DIABHN CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027987000 563836403 /nfs/dbraw/zinc/83/64/03/563836403.db2.gz SPRZMZUTUXPCLY-UHFFFAOYSA-N 0 3 311.816 4.254 40 0 DIABHN Cc1ccc2[nH]c(C3=CCN(Cc4ccccc4)CC3)nc2c1 ZINC000226250734 563913431 /nfs/dbraw/zinc/91/34/31/563913431.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 0 3 303.409 4.161 40 0 DIABHN Cc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1 ZINC000226250734 563913432 /nfs/dbraw/zinc/91/34/32/563913432.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 0 3 303.409 4.161 40 0 DIABHN COc1cc(CN[C@@H]2CCSc3ccccc32)cc(OC)c1 ZINC000008329005 563947989 /nfs/dbraw/zinc/94/79/89/563947989.db2.gz RKASSCYNURAJEG-QGZVFWFLSA-N 0 3 315.438 4.031 40 0 DIABHN CSc1ccc(CN(Cc2sccc2C)C[C@H](C)O)cc1 ZINC000013991536 1041502789 /nfs/dbraw/zinc/50/27/89/1041502789.db2.gz SBHVDRLJWPVXSY-AWEZNQCLSA-N 0 3 321.511 4.161 40 0 DIABHN CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072348584 191127635 /nfs/dbraw/zinc/12/76/35/191127635.db2.gz OSSOYFJZFLBUOO-OAHLLOKOSA-N 0 3 300.833 4.135 40 0 DIABHN CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072348586 191127949 /nfs/dbraw/zinc/12/79/49/191127949.db2.gz KHGIMYFCNGBMNH-HNNXBMFYSA-N 0 3 300.833 4.135 40 0 DIABHN CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375166 191139089 /nfs/dbraw/zinc/13/90/89/191139089.db2.gz UAVZLYLQFSRSDA-AWEZNQCLSA-N 0 3 316.474 4.465 40 0 DIABHN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H]1CCCN1 ZINC000003823281 181047211 /nfs/dbraw/zinc/04/72/11/181047211.db2.gz QOTDIUAVPXJUEG-INIZCTEOSA-N 0 3 303.298 4.047 40 0 DIABHN Fc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315282 181096541 /nfs/dbraw/zinc/09/65/41/181096541.db2.gz WJBZWXBJWOBKNE-UHFFFAOYSA-N 0 3 309.388 4.082 40 0 DIABHN O=C(c1ccccc1)[C@@H]1CN(C2CCCC2)[C@@H]1c1ccccc1 ZINC000005412041 181240185 /nfs/dbraw/zinc/24/01/85/181240185.db2.gz DYOADTOJACZXAL-WOJBJXKFSA-N 0 3 305.421 4.485 40 0 DIABHN C[C@H]1CCCCN1P(c1ccccc1)N1CCCC[C@@H]1C ZINC000005328661 181230110 /nfs/dbraw/zinc/23/01/10/181230110.db2.gz IXYQVEWDGLGTQK-IRXDYDNUSA-N 0 3 304.418 4.373 40 0 DIABHN Nc1nc2ccccc2c(-c2ccccc2)c1CN1CCCCC1 ZINC000005775581 181283065 /nfs/dbraw/zinc/28/30/65/181283065.db2.gz OGNDCJSRSJDHRR-UHFFFAOYSA-N 0 3 317.436 4.470 40 0 DIABHN Cc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000005981571 181303738 /nfs/dbraw/zinc/30/37/38/181303738.db2.gz JIEZSDBKBOUKKC-UHFFFAOYSA-N 0 3 308.425 4.233 40 0 DIABHN CC[C@@H](C)NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008326027 181548401 /nfs/dbraw/zinc/54/84/01/181548401.db2.gz LHFSZGIZFVMGJY-CQSZACIVSA-N 0 3 317.404 4.301 40 0 DIABHN Fc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346909 182118201 /nfs/dbraw/zinc/11/82/01/182118201.db2.gz JYFVHGFLSFULOP-INIZCTEOSA-N 0 3 309.388 4.082 40 0 DIABHN CN1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365270 182118895 /nfs/dbraw/zinc/11/88/95/182118895.db2.gz WEUCDJCFJHYFRL-IBGZPJMESA-N 0 3 314.860 4.067 40 0 in-man DIABHN CCN(CC)CCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000022076599 182308107 /nfs/dbraw/zinc/30/81/07/182308107.db2.gz VTATUWBJRFHPJP-UHFFFAOYSA-N 0 3 306.837 4.031 40 0 DIABHN Cc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000022522506 182325311 /nfs/dbraw/zinc/32/53/11/182325311.db2.gz MSAPZWFIRUEUDI-UHFFFAOYSA-N 0 3 322.452 4.479 40 0 DIABHN C[C@H]1CCCC[C@@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000040155735 183040794 /nfs/dbraw/zinc/04/07/94/183040794.db2.gz CDWKJPACYVRXMX-IEZWGBDMSA-N 0 3 316.489 4.058 40 0 DIABHN Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072218910 257123891 /nfs/dbraw/zinc/12/38/91/257123891.db2.gz UFAPISWVNBPNBB-HXUWFJFHSA-N 0 3 321.468 4.327 40 0 DIABHN COc1cccc(OC)c1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072221444 257124390 /nfs/dbraw/zinc/12/43/90/257124390.db2.gz FWESDVIDVZECEL-KRWDZBQOSA-N 0 3 311.425 4.431 40 0 DIABHN Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218766 257124447 /nfs/dbraw/zinc/12/44/47/257124447.db2.gz JAZIMHBHWOMFCS-IBGZPJMESA-N 0 3 309.457 4.183 40 0 DIABHN COc1cccc(OC)c1[C@H]1CCCCN1Cc1ccccc1 ZINC000072221445 257124607 /nfs/dbraw/zinc/12/46/07/257124607.db2.gz FWESDVIDVZECEL-QGZVFWFLSA-N 0 3 311.425 4.431 40 0 DIABHN CC(C)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216723 257125069 /nfs/dbraw/zinc/12/50/69/257125069.db2.gz LOAPWGDINOWBKU-SFHVURJKSA-N 0 3 301.478 4.397 40 0 DIABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213019 257126931 /nfs/dbraw/zinc/12/69/31/257126931.db2.gz HXTHWRQNVYJQKN-GOSISDBHSA-N 0 3 303.494 4.498 40 0 DIABHN CCC(=O)[C@@](CCN(C)C)(c1cccs1)C1CCCCC1 ZINC000001593244 563286826 /nfs/dbraw/zinc/28/68/26/563286826.db2.gz MTUJSLYLOCBLKQ-SFHVURJKSA-N 0 3 307.503 4.497 40 0 DIABHN CCOc1cc(CNC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253982 563345266 /nfs/dbraw/zinc/34/52/66/563345266.db2.gz VEJIAHYTMCNSKC-UHFFFAOYSA-N 0 3 323.795 4.176 40 0 DIABHN CC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1F ZINC000008326783 563345980 /nfs/dbraw/zinc/34/59/80/563345980.db2.gz OMDSZNXVWYXLRO-AWEZNQCLSA-N 0 3 317.404 4.301 40 0 DIABHN Cc1c2cc(C)ccc2[nH]c1CN(C)[C@H](C)Cc1ccccn1 ZINC000012148195 563362970 /nfs/dbraw/zinc/36/29/70/563362970.db2.gz VPDURSJMXGWGLG-OAHLLOKOSA-N 0 3 307.441 4.243 40 0 DIABHN CC(C)CN1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182391 563525459 /nfs/dbraw/zinc/52/54/59/563525459.db2.gz GZDBYDFKBAOWAT-KRWDZBQOSA-N 0 3 302.393 4.197 40 0 DIABHN CO[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccc(C)cc21 ZINC000096100202 563532978 /nfs/dbraw/zinc/53/29/78/563532978.db2.gz RVSGUDIPMISTEE-HXUWFJFHSA-N 0 3 322.452 4.015 40 0 DIABHN c1csc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000127597991 563604440 /nfs/dbraw/zinc/60/44/40/563604440.db2.gz HNGCKCSTRXPZQO-INIZCTEOSA-N 0 3 309.438 4.071 40 0 DIABHN C[C@H](NCc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 ZINC000022076471 563714101 /nfs/dbraw/zinc/71/41/01/563714101.db2.gz PZQNNDCAUSTISI-MGPUTAFESA-N 0 3 307.393 4.158 40 0 DIABHN N[C@H](Cc1ccccc1)C(F)(c1ccccc1)c1ccccc1 ZINC000002506618 563854835 /nfs/dbraw/zinc/85/48/35/563854835.db2.gz MAQPVYODFPAVII-HXUWFJFHSA-N 0 3 305.396 4.470 40 0 DIABHN Cc1ccc2oc([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 ZINC000035446485 563867357 /nfs/dbraw/zinc/86/73/57/563867357.db2.gz NGINRCRIHRMDEF-HNNXBMFYSA-N 0 3 310.372 4.265 40 0 biogenic,in-vitro DIABHN CC[C@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=N ZINC000102631466 563870869 /nfs/dbraw/zinc/87/08/69/563870869.db2.gz MXHVSVSFQWGVRX-MRXNPFEDSA-N 0 3 312.800 4.142 40 0 DIABHN O=C(C[C@H](c1ccccc1)N1CCCCC1)OCc1ccccc1 ZINC000001569386 568412317 /nfs/dbraw/zinc/41/23/17/568412317.db2.gz PWMHOMZHKCPYAJ-HXUWFJFHSA-N 0 3 323.436 4.347 40 0 DIABHN [O-]c1cc2c(cc1Cl)CC[NH2+]C[C@@H]2c1cccc2ccoc21 ZINC001570009207 1055881777 /nfs/dbraw/zinc/88/17/77/1055881777.db2.gz FNSOIGQMVWZWDF-OAHLLOKOSA-N 0 3 313.784 4.069 40 0 DIABHN COc1cc(CNCc2ccccc2)ccc1OC1CCCC1 ZINC000004657682 181132936 /nfs/dbraw/zinc/13/29/36/181132936.db2.gz RIVUGUSOUXWSRF-UHFFFAOYSA-N 0 3 311.425 4.306 40 0 DIABHN CCN(CC)C[C@H]1c2ccccc2[C@H](CNc2ccccc2)N1C ZINC000073386758 191311273 /nfs/dbraw/zinc/31/12/73/191311273.db2.gz BFTKLTXWDUKHIE-SFTDATJTSA-N 0 3 323.484 4.168 40 0 DIABHN CN(C)CCSc1nc2ccccc2cc1Cc1ccccc1 ZINC000004929996 181174319 /nfs/dbraw/zinc/17/43/19/181174319.db2.gz IIDRDZYJDMMVSM-UHFFFAOYSA-N 0 3 322.477 4.479 40 0 DIABHN C[C@@H](NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004969223 181181707 /nfs/dbraw/zinc/18/17/07/181181707.db2.gz HGWKOWHSFFTYKL-OAHLLOKOSA-N 0 3 308.425 4.213 40 0 DIABHN COc1ccc([C@@H]2C=C(c3ccc(F)cc3)NC(=N)S2)cc1 ZINC000005917575 181295926 /nfs/dbraw/zinc/29/59/26/181295926.db2.gz UBRNDOCAUUDKEB-INIZCTEOSA-N 0 3 314.385 4.188 40 0 DIABHN Cc1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccn12 ZINC000019240674 182111735 /nfs/dbraw/zinc/11/17/35/182111735.db2.gz VOQCPYXNEWOBFE-KRWDZBQOSA-N 0 3 323.415 4.161 40 0 DIABHN Fc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019345309 182118196 /nfs/dbraw/zinc/11/81/96/182118196.db2.gz MUCQFJCRMQYRMZ-HNNXBMFYSA-N 0 3 309.388 4.082 40 0 DIABHN Clc1ccc(C2(CN(Cc3ccncc3)C3CC3)CC2)cc1 ZINC000019332727 182116143 /nfs/dbraw/zinc/11/61/43/182116143.db2.gz DPERNDSIHUJAPZ-UHFFFAOYSA-N 0 3 312.844 4.431 40 0 DIABHN COc1ccc2c(C)cc3sc(-c4ccccc4)c([O-])[n+]3c2c1 ZINC000020120566 182189133 /nfs/dbraw/zinc/18/91/33/182189133.db2.gz FKFQRNPESWFEEE-UHFFFAOYSA-O 0 3 322.409 4.330 40 0 DIABHN Cc1cc(N(C)C)ncc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218707 257124084 /nfs/dbraw/zinc/12/40/84/257124084.db2.gz QZJFAOJKHNTLPZ-LJQANCHMSA-N 0 3 309.457 4.183 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215971 257124718 /nfs/dbraw/zinc/12/47/18/257124718.db2.gz XADLMMXPZFBVHA-LJQANCHMSA-N 0 3 307.441 4.019 40 0 DIABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216008 257124767 /nfs/dbraw/zinc/12/47/67/257124767.db2.gz LDLJLIJBAIQHOG-HXUWFJFHSA-N 0 3 321.468 4.409 40 0 DIABHN CCCN1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216721 257125673 /nfs/dbraw/zinc/12/56/73/257125673.db2.gz WNLURJNNFYTTSL-SFHVURJKSA-N 0 3 301.478 4.399 40 0 DIABHN CCCCN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214383 257126076 /nfs/dbraw/zinc/12/60/76/257126076.db2.gz HIZLMJDTWYQTLB-OAHLLOKOSA-N 0 3 319.449 4.366 40 0 DIABHN CCN(CC)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072212885 257126951 /nfs/dbraw/zinc/12/69/51/257126951.db2.gz VTZBYLVEMSRNGK-IBGZPJMESA-N 0 3 309.457 4.265 40 0 DIABHN c1csc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168959 560084879 /nfs/dbraw/zinc/08/48/79/560084879.db2.gz ZKSBUMPVSRYXSK-LBPRGKRZSA-N 0 3 300.452 4.347 40 0 biogenic,in-vitro DIABHN O=C(CN1CCCCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000000251385 563233520 /nfs/dbraw/zinc/23/35/20/563233520.db2.gz JLIKUJMBCQPFQA-UHFFFAOYSA-N 0 3 320.521 4.356 40 0 DIABHN CN(C)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628143 563288493 /nfs/dbraw/zinc/28/84/93/563288493.db2.gz KBGPTRHFMZERIT-OAJJDEHYSA-N 0 3 301.817 4.105 40 0 DIABHN CCN(CC)CCOC(=O)C=C(c1ccccc1)c1ccccc1 ZINC000001734036 563294548 /nfs/dbraw/zinc/29/45/48/563294548.db2.gz XIROWYXRKYJPMU-UHFFFAOYSA-N 0 3 323.436 4.003 40 0 DIABHN CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495714 563304371 /nfs/dbraw/zinc/30/43/71/563304371.db2.gz MRZPUHWOCOJGFJ-KRWDZBQOSA-N 0 3 302.462 4.205 40 0 DIABHN CCOc1ccc(-c2nc(CNC3CCCC3)cs2)cc1 ZINC000007813827 563342692 /nfs/dbraw/zinc/34/26/92/563342692.db2.gz REDBPZVNYZRIPV-UHFFFAOYSA-N 0 3 302.443 4.241 40 0 DIABHN CC(C)(C)OC(=O)n1ccc2c1cccc2[C@H](N)c1ccccc1 ZINC000096509806 563486360 /nfs/dbraw/zinc/48/63/60/563486360.db2.gz DJGXLJIGMKIIGC-GOSISDBHSA-N 0 3 322.408 4.473 40 0 DIABHN COc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1 ZINC000008470332 563643608 /nfs/dbraw/zinc/64/36/08/563643608.db2.gz WSNVLJNREMJQNS-UHFFFAOYSA-N 0 3 317.816 4.180 40 0 DIABHN C[C@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 ZINC000022076474 563713784 /nfs/dbraw/zinc/71/37/84/563713784.db2.gz PZQNNDCAUSTISI-YWZLYKJASA-N 0 3 307.393 4.158 40 0 DIABHN Cc1ncc2cc(C)nc([C@@H]3CCCCN3Cc3ccccc3)n21 ZINC000257205504 563789664 /nfs/dbraw/zinc/78/96/64/563789664.db2.gz AZJSBSKVLWNDTI-IBGZPJMESA-N 0 3 320.440 4.073 40 0 DIABHN CC[C@@]12CCCN(C1)CCc1c3cccc(OC)c3[nH]c1CC2 ZINC000032275646 563922909 /nfs/dbraw/zinc/92/29/09/563922909.db2.gz BIOVFIIYODPMOE-FQEVSTJZSA-N 0 3 312.457 4.157 40 0 biogenic,in-vitro DIABHN Cc1nc(NC2CCCCC2)cc(N2CCc3ccccc3C2)n1 ZINC000240650228 1039318906 /nfs/dbraw/zinc/31/89/06/1039318906.db2.gz AFUDCWQWOARVJK-UHFFFAOYSA-N 0 3 322.456 4.092 40 0 DIABHN C[C@H](c1cccs1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203840 191076334 /nfs/dbraw/zinc/07/63/34/191076334.db2.gz SPRLIMZPAMKGDN-CYBMUJFWSA-N 0 3 324.490 4.046 40 0 DIABHN C[C@@H]1C[C@@H](C)CN(Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393365 191149894 /nfs/dbraw/zinc/14/98/94/191149894.db2.gz DPNZUHQWLYTKES-GHMZBOCLSA-N 0 3 311.351 4.060 40 0 DIABHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H](C)C1 ZINC000004897846 181170005 /nfs/dbraw/zinc/17/00/05/181170005.db2.gz VUEZNONIYWVUJQ-SJORKVTESA-N 0 3 322.452 4.413 40 0 DIABHN C[n+]1c(/C=C\c2ccc([O-])c3ncccc23)sc2ccccc21 ZINC000004900199 181170041 /nfs/dbraw/zinc/17/00/41/181170041.db2.gz YVGNOHMFVPDRNY-UHFFFAOYSA-O 0 3 319.409 4.150 40 0 DIABHN O=C(Cc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000005462264 181246520 /nfs/dbraw/zinc/24/65/20/181246520.db2.gz FNOLFYLSHDEZII-UHFFFAOYSA-N 0 3 301.389 4.135 40 0 DIABHN Cc1nc2ccccc2nc1CN1CCC(c2ccccc2)CC1 ZINC000016265194 182038732 /nfs/dbraw/zinc/03/87/32/182038732.db2.gz MRIVTETXXBNDEH-UHFFFAOYSA-N 0 3 317.436 4.318 40 0 DIABHN C[C@@H]1CCCCN1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000017030795 182068823 /nfs/dbraw/zinc/06/88/23/182068823.db2.gz IJZKUJUXXXRFJN-SNVBAGLBSA-N 0 3 302.365 4.277 40 0 DIABHN c1ccc(C[C@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000031962173 182630649 /nfs/dbraw/zinc/63/06/49/182630649.db2.gz FIVPTTNCAKAAAB-JOCHJYFZSA-N 0 3 317.432 4.456 40 0 DIABHN Cc1cc(NCc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223378 257123286 /nfs/dbraw/zinc/12/32/86/257123286.db2.gz XYQHEWDJPSMBMT-HXUWFJFHSA-N 0 3 303.409 4.050 40 0 DIABHN N[C@@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 ZINC000072225419 257123783 /nfs/dbraw/zinc/12/37/83/257123783.db2.gz GRRLESCGPBYOLD-IBGZPJMESA-N 0 3 306.434 4.422 40 0 DIABHN CCCN1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219178 257124156 /nfs/dbraw/zinc/12/41/56/257124156.db2.gz RMTRZWIRCAXBTP-GOSISDBHSA-N 0 3 301.478 4.317 40 0 DIABHN c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216009 257124973 /nfs/dbraw/zinc/12/49/73/257124973.db2.gz LDLJLIJBAIQHOG-FQEVSTJZSA-N 0 3 321.468 4.409 40 0 DIABHN c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215911 257125114 /nfs/dbraw/zinc/12/51/14/257125114.db2.gz ITOXHFKFWQXLSE-LJQANCHMSA-N 0 3 307.441 4.019 40 0 DIABHN CCCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214336 257126025 /nfs/dbraw/zinc/12/60/25/257126025.db2.gz NOGLBSNNOHBEEP-OAHLLOKOSA-N 0 3 319.449 4.366 40 0 DIABHN CCN(C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212742 257127031 /nfs/dbraw/zinc/12/70/31/257127031.db2.gz YRULCNPQPIMKLV-IBGZPJMESA-N 0 3 309.457 4.265 40 0 DIABHN CCC[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000247940460 341371232 /nfs/dbraw/zinc/37/12/32/341371232.db2.gz GCUZTKRRUTYKPX-DRYZZIBHSA-N 0 3 309.453 4.486 40 0 DIABHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@@H]1O ZINC000247940471 341371270 /nfs/dbraw/zinc/37/12/70/341371270.db2.gz GCUZTKRRUTYKPX-MKCNHSFFSA-N 0 3 309.453 4.486 40 0 DIABHN O[C@@H]1CCCc2nc3ccccc3c(NCc3ccccc3)c21 ZINC000001851379 563296414 /nfs/dbraw/zinc/29/64/14/563296414.db2.gz HERUZAOANPGYSY-GOSISDBHSA-N 0 3 304.393 4.217 40 0 in-man DIABHN Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc2ccccc21 ZINC000012186451 563363757 /nfs/dbraw/zinc/36/37/57/563363757.db2.gz SHQYWKYPVMUKHC-UTKZUKDTSA-N 0 3 315.420 4.200 40 0 DIABHN c1ccc(C[C@@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000031962169 563441373 /nfs/dbraw/zinc/44/13/73/563441373.db2.gz FIVPTTNCAKAAAB-QFIPXVFZSA-N 0 3 317.432 4.456 40 0 DIABHN CC(C)(C)OC(=O)n1ccc2c1cccc2[C@@H](N)c1ccccc1 ZINC000096509807 563485845 /nfs/dbraw/zinc/48/58/45/563485845.db2.gz DJGXLJIGMKIIGC-SFHVURJKSA-N 0 3 322.408 4.473 40 0 DIABHN Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010324240 563648447 /nfs/dbraw/zinc/64/84/47/563648447.db2.gz GJBFHGRCRLCPFK-UHFFFAOYSA-N 0 3 308.425 4.152 40 0 DIABHN CC(C)C(NC(=O)c1ccc(CN2CCCCC2)cc1)C(C)C ZINC000010359698 563648601 /nfs/dbraw/zinc/64/86/01/563648601.db2.gz PFIGWSZAAFXTFG-UHFFFAOYSA-N 0 3 316.489 4.083 40 0 DIABHN NC1=NN(c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(F)cc2)C1 ZINC000222548693 563725989 /nfs/dbraw/zinc/72/59/89/563725989.db2.gz BQYDTSDJQOGKBB-AWEZNQCLSA-N 0 3 323.293 4.068 40 0 DIABHN CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007262405 563832123 /nfs/dbraw/zinc/83/21/23/563832123.db2.gz QORKZEPUUHYODP-UHFFFAOYSA-N 0 3 319.832 4.427 40 0 DIABHN CCCOc1ccc(C(=O)[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000003068305 563941932 /nfs/dbraw/zinc/94/19/32/563941932.db2.gz XPCSEUAVZBRTEN-IBGZPJMESA-N 0 3 311.425 4.004 40 0 DIABHN CCC[C@@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 ZINC000001569405 568412270 /nfs/dbraw/zinc/41/22/70/568412270.db2.gz RRODMYNEUWOESW-AEFFLSMTSA-N 0 3 303.446 4.336 40 0 DIABHN CCn1c2ccccc2c2cc(CNCc3ccncc3)ccc21 ZINC000006871197 190625584 /nfs/dbraw/zinc/62/55/84/190625584.db2.gz MPCSKWKGPXQPGE-UHFFFAOYSA-N 0 3 315.420 4.499 40 0 DIABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2c(F)cccc2Cl)on1 ZINC000072395100 191149846 /nfs/dbraw/zinc/14/98/46/191149846.db2.gz KFLIVGDIWBPSIB-YVEFUNNKSA-N 0 3 322.811 4.277 40 0 DIABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@H]1O ZINC000004652791 181131955 /nfs/dbraw/zinc/13/19/55/181131955.db2.gz GCUZTKRRUTYKPX-JMMIECQRSA-N 0 3 309.453 4.486 40 0 DIABHN CN1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744326 181145935 /nfs/dbraw/zinc/14/59/35/181145935.db2.gz CMARNPIDSNAMJM-MSOLQXFVSA-N 0 3 301.817 4.150 40 0 in-man DIABHN O=C(Cc1ccccc1F)NC(c1ccccc1)c1ccccc1 ZINC000005462381 181246427 /nfs/dbraw/zinc/24/64/27/181246427.db2.gz AFYFFFPJKWEAJE-UHFFFAOYSA-N 0 3 319.379 4.274 40 0 DIABHN O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC1CCCCC1 ZINC000006582081 181357298 /nfs/dbraw/zinc/35/72/98/181357298.db2.gz IACAVAYUXQMBHW-IBGZPJMESA-N 0 3 315.457 4.480 40 0 DIABHN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240670 182111875 /nfs/dbraw/zinc/11/18/75/182111875.db2.gz UYHZAKAZKBCEGR-KRWDZBQOSA-N 0 3 323.415 4.161 40 0 DIABHN Fc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346907 182117575 /nfs/dbraw/zinc/11/75/75/182117575.db2.gz JYFVHGFLSFULOP-MRXNPFEDSA-N 0 3 309.388 4.082 40 0 DIABHN COc1ccccc1CN1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570064 182130049 /nfs/dbraw/zinc/13/00/49/182130049.db2.gz DCSQSCQYAHKNNV-SFHVURJKSA-N 0 3 318.420 4.233 40 0 DIABHN Cc1ccc(CN(CCCOC(C)C)Cc2ccncc2)s1 ZINC000057797119 184052981 /nfs/dbraw/zinc/05/29/81/184052981.db2.gz RMZCFGBGGALXHU-UHFFFAOYSA-N 0 3 318.486 4.269 40 0 DIABHN Cc1cc(N(C)c2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223351 257123111 /nfs/dbraw/zinc/12/31/11/257123111.db2.gz LHLAVRNQBKXCKU-HXUWFJFHSA-N 0 3 303.409 4.206 40 0 DIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)Cc1ccccc1 ZINC000072222367 257123437 /nfs/dbraw/zinc/12/34/37/257123437.db2.gz CIKVFEOMBBNIHE-FQEVSTJZSA-N 0 3 317.436 4.075 40 0 DIABHN N[C@@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225795 257123732 /nfs/dbraw/zinc/12/37/32/257123732.db2.gz VQWSTYMVPSIJGD-NRFANRHFSA-N 0 3 315.420 4.214 40 0 DIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCc2ccccc21 ZINC000072222910 257123742 /nfs/dbraw/zinc/12/37/42/257123742.db2.gz FTMRSNVQJAHKAI-FQEVSTJZSA-N 0 3 315.420 4.132 40 0 DIABHN Cc1cc([C@H]2CCCCN2C(C)C)cnc1N1CCCCC1 ZINC000072219181 257124135 /nfs/dbraw/zinc/12/41/35/257124135.db2.gz DMFYMBVLHYTBMO-GOSISDBHSA-N 0 3 301.478 4.316 40 0 DIABHN CC(C)N1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216722 257125633 /nfs/dbraw/zinc/12/56/33/257125633.db2.gz LOAPWGDINOWBKU-GOSISDBHSA-N 0 3 301.478 4.397 40 0 DIABHN CCCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214337 257126492 /nfs/dbraw/zinc/12/64/92/257126492.db2.gz NOGLBSNNOHBEEP-HNNXBMFYSA-N 0 3 319.449 4.366 40 0 DIABHN CCN(C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072212803 257127102 /nfs/dbraw/zinc/12/71/02/257127102.db2.gz AXHJWLDWGDEWNG-LJQANCHMSA-N 0 3 309.457 4.265 40 0 DIABHN c1ccc(CCc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001583778 563286402 /nfs/dbraw/zinc/28/64/02/563286402.db2.gz ABTZZBQZXXTIID-UHFFFAOYSA-N 0 3 309.453 4.337 40 0 DIABHN CN(C)CCO[C@@](C)(c1ccccc1)c1ccc2ccccc2n1 ZINC000001621991 563288228 /nfs/dbraw/zinc/28/82/28/563288228.db2.gz YDJVFOAHQRFWRZ-NRFANRHFSA-N 0 3 320.436 4.077 40 0 DIABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710809 563292565 /nfs/dbraw/zinc/29/25/65/563292565.db2.gz SGFGQSKEXCCYTI-MOPGFXCFSA-N 0 3 315.457 4.012 40 0 DIABHN OCCN(Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001745177 563294757 /nfs/dbraw/zinc/29/47/57/563294757.db2.gz FWZVKZNNACLWTD-UHFFFAOYSA-N 0 3 317.432 4.271 40 0 DIABHN CC(C)(CO)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006883161 563334697 /nfs/dbraw/zinc/33/46/97/563334697.db2.gz PUTMTWORLCLHIY-UHFFFAOYSA-N 0 3 314.212 4.114 40 0 DIABHN CCCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000007261737 563337246 /nfs/dbraw/zinc/33/72/46/563337246.db2.gz WSKSXRQYHBHKFY-UHFFFAOYSA-N 0 3 317.404 4.303 40 0 DIABHN Cc1cc(C)c(NC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 ZINC000010330878 563356043 /nfs/dbraw/zinc/35/60/43/563356043.db2.gz TUPLZTBKVDGSKZ-UHFFFAOYSA-N 0 3 322.452 4.460 40 0 DIABHN CO[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccc(C)cc21 ZINC000096100203 563533379 /nfs/dbraw/zinc/53/33/79/563533379.db2.gz RVSGUDIPMISTEE-FQEVSTJZSA-N 0 3 322.452 4.015 40 0 DIABHN Fc1cccc(OCCN2CCCC2)c1Oc1ccccc1 ZINC000585265639 563537172 /nfs/dbraw/zinc/53/71/72/563537172.db2.gz VVJCPPRIVKDGIG-UHFFFAOYSA-N 0 3 301.361 4.093 40 0 DIABHN CCOC(=O)c1ccc(-c2ccc(CNC(C)(C)C)o2)cc1 ZINC000008253093 563642211 /nfs/dbraw/zinc/64/22/11/563642211.db2.gz UNZBMNPMLSCKNN-UHFFFAOYSA-N 0 3 301.386 4.011 40 0 DIABHN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCC2)cc1 ZINC000010328134 563922669 /nfs/dbraw/zinc/92/26/69/563922669.db2.gz VSFITRUJJSTFAL-UHFFFAOYSA-N 0 3 314.816 4.188 40 0 DIABHN c1nc([C@@H]2CCCN2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124631 231082997 /nfs/dbraw/zinc/08/29/97/231082997.db2.gz BVKQAXXOAIZESC-IBGZPJMESA-N 0 3 318.424 4.086 40 0 DIABHN CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357524 191131017 /nfs/dbraw/zinc/13/10/17/191131017.db2.gz XLBYJDVNOCGMRG-KRWDZBQOSA-N 0 3 320.358 4.458 40 0 DIABHN O=C(C[C@H](c1ccccc1)N1CCCCC1)OC1CCCCC1 ZINC000001569385 180874273 /nfs/dbraw/zinc/87/42/73/180874273.db2.gz IACAVAYUXQMBHW-LJQANCHMSA-N 0 3 315.457 4.480 40 0 DIABHN CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004162263 181079799 /nfs/dbraw/zinc/07/97/99/181079799.db2.gz LDCYUQWOTSEZCL-DOIPELPJSA-N 0 3 309.453 4.486 40 0 DIABHN CC(=O)[C@](CCc1ccccc1)(CCN(C)C)c1ccccc1 ZINC000005883881 181293249 /nfs/dbraw/zinc/29/32/49/181293249.db2.gz HIGLEGFIFRRHOW-NRFANRHFSA-N 0 3 309.453 4.098 40 0 DIABHN CCCCCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 ZINC000005973241 181302831 /nfs/dbraw/zinc/30/28/31/181302831.db2.gz YOCFAWSYGSKHED-SFHVURJKSA-N 0 3 303.446 4.337 40 0 DIABHN c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000016493163 182047391 /nfs/dbraw/zinc/04/73/91/182047391.db2.gz LCZNYTPFEVDXAN-UHFFFAOYSA-N 0 3 317.388 4.372 40 0 DIABHN Cc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213909 182107312 /nfs/dbraw/zinc/10/73/12/182107312.db2.gz KQHBGMDBUUTCGF-VQTJNVASSA-N 0 3 313.416 4.057 40 0 DIABHN Fc1ccccc1CN1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019348903 182118093 /nfs/dbraw/zinc/11/80/93/182118093.db2.gz ACYJRBMWPPAOHI-UHFFFAOYSA-N 0 3 309.388 4.082 40 0 DIABHN c1c2ccccc2oc1CN1CCC(COc2ccccn2)CC1 ZINC000019376280 182120859 /nfs/dbraw/zinc/12/08/59/182120859.db2.gz XGFMHMDPNCFSEE-UHFFFAOYSA-N 0 3 322.408 4.119 40 0 DIABHN N[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000022588090 182327014 /nfs/dbraw/zinc/32/70/14/182327014.db2.gz QHUYQHXMNCGJAS-VCJJEUFXSA-N 0 3 306.453 4.445 40 0 DIABHN CCN(CC)C[C@@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C ZINC000022858992 182337551 /nfs/dbraw/zinc/33/75/51/182337551.db2.gz BFTKLTXWDUKHIE-NHCUHLMSSA-N 0 3 323.484 4.168 40 0 DIABHN C[C@H]1CCCC[C@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000040155737 183040566 /nfs/dbraw/zinc/04/05/66/183040566.db2.gz CDWKJPACYVRXMX-WDYCEAGBSA-N 0 3 316.489 4.058 40 0 DIABHN Cc1nc(NCc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224421 257123302 /nfs/dbraw/zinc/12/33/02/257123302.db2.gz ZBJXICCBSBFANG-FQEVSTJZSA-N 0 3 303.409 4.050 40 0 DIABHN Cc1nc(OCc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224475 257123429 /nfs/dbraw/zinc/12/34/29/257123429.db2.gz NEYPIGSIWFNNEN-FQEVSTJZSA-N 0 3 304.393 4.017 40 0 DIABHN Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072218849 257124477 /nfs/dbraw/zinc/12/44/77/257124477.db2.gz RIWYUERLBIOFKN-FQEVSTJZSA-N 0 3 321.468 4.327 40 0 DIABHN CCC(C(=O)[C@@H](C)CN(C)C)(c1ccccc1)c1ccccc1 ZINC000001577551 257231363 /nfs/dbraw/zinc/23/13/63/257231363.db2.gz FGGFXBCANDWASR-KRWDZBQOSA-N 0 3 309.453 4.150 40 0 DIABHN CC(C)(C)OC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000047218996 331723662 /nfs/dbraw/zinc/72/36/62/331723662.db2.gz CPEGCQWBBDVIMB-UHFFFAOYSA-N 0 3 311.425 4.097 40 0 DIABHN CN1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000001319936 563271056 /nfs/dbraw/zinc/27/10/56/563271056.db2.gz WEUCDJCFJHYFRL-LJQANCHMSA-N 0 3 314.860 4.067 40 0 in-man DIABHN O=C(O[C@@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 ZINC000001641788 563288511 /nfs/dbraw/zinc/28/85/11/563288511.db2.gz IJIHPPHWXPHTRG-LJQANCHMSA-N 0 3 322.408 4.056 40 0 DIABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001710812 563292625 /nfs/dbraw/zinc/29/26/25/563292625.db2.gz SGFGQSKEXCCYTI-RBUKOAKNSA-N 0 3 315.457 4.012 40 0 DIABHN CCCCCNCc1cc(Br)ccc1OCC ZINC000007261260 563337465 /nfs/dbraw/zinc/33/74/65/563337465.db2.gz ZAJYMWWOHWULIT-UHFFFAOYSA-N 0 3 300.240 4.128 40 0 DIABHN Cc1c2cc(C)ccc2[nH]c1CN(C)[C@@H](C)Cc1ccccn1 ZINC000012148194 563362930 /nfs/dbraw/zinc/36/29/30/563362930.db2.gz VPDURSJMXGWGLG-HNNXBMFYSA-N 0 3 307.441 4.243 40 0 DIABHN COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1 ZINC000012361886 563367192 /nfs/dbraw/zinc/36/71/92/563367192.db2.gz DSWXGHONYJOBMW-UHFFFAOYSA-N 0 3 304.393 4.022 40 0 DIABHN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000032131003 563442145 /nfs/dbraw/zinc/44/21/45/563442145.db2.gz ZXPLMKPRHWPRMQ-JOCHJYFZSA-N 0 3 317.432 4.422 40 0 DIABHN Fc1ccc(Oc2ccccc2)c(OCCN2CCCC2)c1 ZINC000585265552 563537113 /nfs/dbraw/zinc/53/71/13/563537113.db2.gz SPPAMEDFIDTKCV-UHFFFAOYSA-N 0 3 301.361 4.093 40 0 DIABHN Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1C ZINC000010359982 563648391 /nfs/dbraw/zinc/64/83/91/563648391.db2.gz OYCVUSKRAYBAMV-UHFFFAOYSA-N 0 3 308.425 4.152 40 0 DIABHN Cc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1C ZINC000010370592 563648495 /nfs/dbraw/zinc/64/84/95/563648495.db2.gz ZCNIJSRTWYWCJL-UHFFFAOYSA-N 0 3 308.425 4.152 40 0 DIABHN CC[C@@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=N ZINC000004247089 563682451 /nfs/dbraw/zinc/68/24/51/563682451.db2.gz MXHVSVSFQWGVRX-INIZCTEOSA-N 0 3 312.800 4.142 40 0 DIABHN Clc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000049169033 563701059 /nfs/dbraw/zinc/70/10/59/563701059.db2.gz OVRBODIQRFMCNG-AWEZNQCLSA-N 0 3 311.816 4.206 40 0 biogenic,in-vitro DIABHN NC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(F)cc2)C1 ZINC000222548328 563726021 /nfs/dbraw/zinc/72/60/21/563726021.db2.gz KEXDTMJKRURDGT-CQSZACIVSA-N 0 3 324.186 4.356 40 0 DIABHN Fc1cccc(Cc2cnc([C@@H]3CCCN3C3CCCC3)o2)c1 ZINC000257228313 563790466 /nfs/dbraw/zinc/79/04/66/563790466.db2.gz FTJJNMRZCYUELR-SFHVURJKSA-N 0 3 314.404 4.484 40 0 DIABHN Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329063837 563833411 /nfs/dbraw/zinc/83/34/11/563833411.db2.gz XFPGWXVXHKCUHP-CQSZACIVSA-N 0 3 322.456 4.091 40 0 DIABHN Cc1c(Cl)cccc1NC(=O)CN(CC(C)C)CC(C)C ZINC000001672754 563895593 /nfs/dbraw/zinc/89/55/93/563895593.db2.gz OJKDAUXQDCFKPK-UHFFFAOYSA-N 0 3 310.869 4.201 40 0 DIABHN CCC[C@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 ZINC000001569408 568412180 /nfs/dbraw/zinc/41/21/80/568412180.db2.gz RRODMYNEUWOESW-FUHWJXTLSA-N 0 3 303.446 4.336 40 0 DIABHN CC[C@@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524698 1056064255 /nfs/dbraw/zinc/06/42/55/1056064255.db2.gz SCKAFJMISVPZKW-ZDUSSCGKSA-N 0 3 314.212 4.114 40 0 DIABHN