smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)N1CCCC1 ZINC000000634784 551505849 /nfs/dbraw/zinc/50/58/49/551505849.db2.gz MIABPOYRBRRLEK-ATVHPVEESA-N 0 1 527.433 4.402 50 0 KIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000671497 551519206 /nfs/dbraw/zinc/51/92/06/551519206.db2.gz SVSUXOFQNXRULR-UHFFFAOYSA-N 0 1 525.546 4.474 50 0 KIAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(I)c(OC(C)C)c(OC)c1 ZINC000000679502 551523517 /nfs/dbraw/zinc/52/35/17/551523517.db2.gz IVWUTUKLBPJTBI-FQEVSTJZSA-N 0 1 536.366 4.415 50 0 KIAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(I)c(OC(C)C)c(OC)c1 ZINC000000679503 551523451 /nfs/dbraw/zinc/52/34/51/551523451.db2.gz IVWUTUKLBPJTBI-HXUWFJFHSA-N 0 1 536.366 4.415 50 0 KIAAMN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000942857 551588117 /nfs/dbraw/zinc/58/81/17/551588117.db2.gz XTVMNXHCVBCPQM-UHFFFAOYSA-N 0 1 519.421 4.355 50 0 KIAAMN CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc(OCC)c1OCC ZINC000000949263 551588466 /nfs/dbraw/zinc/58/84/66/551588466.db2.gz ZYVWHTKWJVHIPA-UHFFFAOYSA-N 0 1 514.604 4.343 50 0 KIAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000000980250 551591752 /nfs/dbraw/zinc/59/17/52/551591752.db2.gz RRRBFCGATRVYMI-UHFFFAOYSA-N 0 1 545.683 4.333 50 0 KIAAMN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)s1)c1ccccc1 ZINC000001040358 551598893 /nfs/dbraw/zinc/59/88/93/551598893.db2.gz KBZUQFZKMJIAIE-UHFFFAOYSA-N 0 1 516.357 4.223 50 0 KIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2Cl)c(C)c1 ZINC000001059104 551600530 /nfs/dbraw/zinc/60/05/30/551600530.db2.gz IHJQQEMODHYJPX-UHFFFAOYSA-N 0 1 528.030 4.482 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)c(OC)c1 ZINC000001061756 551600853 /nfs/dbraw/zinc/60/08/53/551600853.db2.gz RRUXAZLNDFWWGJ-UHFFFAOYSA-N 0 1 599.662 4.478 50 0 KIAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1 ZINC000001066665 551601894 /nfs/dbraw/zinc/60/18/94/551601894.db2.gz YSESTKGODGIMKN-UHFFFAOYSA-N 0 1 564.085 4.031 50 0 KIAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCc3cccnc3)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000001069626 551602590 /nfs/dbraw/zinc/60/25/90/551602590.db2.gz ITFBZEIIDRDYKZ-QHCPKHFHSA-N 0 1 505.600 4.432 50 0 KIAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3cccnc3)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000001069629 551602534 /nfs/dbraw/zinc/60/25/34/551602534.db2.gz ITFBZEIIDRDYKZ-HSZRJFAPSA-N 0 1 505.600 4.432 50 0 KIAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2Cl)c1 ZINC000001079643 551605597 /nfs/dbraw/zinc/60/55/97/551605597.db2.gz HJJPMUNTAVJGBV-UHFFFAOYSA-N 0 1 514.003 4.174 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)c(OC)c1 ZINC000001128196 551614851 /nfs/dbraw/zinc/61/48/51/551614851.db2.gz LFQUNBOOVWDVNR-UHFFFAOYSA-N 0 1 517.563 4.257 50 0 KIAAMN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(Br)c1 ZINC000001134574 551616561 /nfs/dbraw/zinc/61/65/61/551616561.db2.gz GZFCPVNUTPKORB-UHFFFAOYSA-N 0 1 519.421 4.237 50 0 KIAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c1 ZINC000001140081 551616878 /nfs/dbraw/zinc/61/68/78/551616878.db2.gz ZEAXKNKAODAKTI-UHFFFAOYSA-N 0 1 557.444 4.077 50 0 KIAAMN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319033 551641003 /nfs/dbraw/zinc/64/10/03/551641003.db2.gz BPRFFUXYKBBLED-KECSPFHLSA-N 0 1 584.673 4.199 50 0 biogenic KIAAMN CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319034 551641069 /nfs/dbraw/zinc/64/10/69/551641069.db2.gz BPRFFUXYKBBLED-CBUPUIKESA-N 0 1 584.673 4.199 50 0 biogenic KIAAMN CCOC(=O)C1=C(CNc2ccc(I)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001423136 551669023 /nfs/dbraw/zinc/66/90/23/551669023.db2.gz JLMGQSBBXOPZHG-FQEVSTJZSA-N 0 1 505.356 4.191 50 0 KIAAMN CCOC(=O)C1=C(CNc2ccc(I)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001423137 551669063 /nfs/dbraw/zinc/66/90/63/551669063.db2.gz JLMGQSBBXOPZHG-HXUWFJFHSA-N 0 1 505.356 4.191 50 0 KIAAMN CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)s1 ZINC000001895826 551727609 /nfs/dbraw/zinc/72/76/09/551727609.db2.gz KHXBEWGGSKKTCQ-UHFFFAOYSA-N 0 1 515.646 4.485 50 0 KIAAMN COCCCN1CCN(c2nnc3n2-c2sc(Br)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000002049844 551738076 /nfs/dbraw/zinc/73/80/76/551738076.db2.gz DNGSMWKVABJHOC-UHFFFAOYSA-N 0 1 535.899 4.254 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120436 551770188 /nfs/dbraw/zinc/77/01/88/551770188.db2.gz PUHBXGIFAAMCAT-RZXXJPOTSA-N 0 1 533.433 4.209 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120440 551770196 /nfs/dbraw/zinc/77/01/96/551770196.db2.gz PUHBXGIFAAMCAT-XQJRBFNUSA-N 0 1 533.433 4.209 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002121491 551770851 /nfs/dbraw/zinc/77/08/51/551770851.db2.gz HZWKGJDJEFZFIC-VZZQTLFRSA-N 0 1 523.825 4.464 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002121495 551770856 /nfs/dbraw/zinc/77/08/56/551770856.db2.gz HZWKGJDJEFZFIC-IISPMBILSA-N 0 1 523.825 4.464 50 0 KIAAMN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)C(C)C)cc1 ZINC000002132454 551773021 /nfs/dbraw/zinc/77/30/21/551773021.db2.gz ZIFTUWORMFTAEC-SANMLTNESA-N 0 1 507.564 4.383 50 0 biogenic KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1 ZINC000002135898 551773643 /nfs/dbraw/zinc/77/36/43/551773643.db2.gz XKZDWYDHEBCGCG-UHFFFAOYSA-N 0 1 584.905 4.202 50 0 in-vitro KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002164009 551781587 /nfs/dbraw/zinc/78/15/87/551781587.db2.gz NMJNRVDWGWKNFC-RZXXJPOTSA-N 0 1 577.884 4.319 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002164013 551781580 /nfs/dbraw/zinc/78/15/80/551781580.db2.gz NMJNRVDWGWKNFC-XQJRBFNUSA-N 0 1 577.884 4.319 50 0 KIAAMN CCc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)s1 ZINC000002187491 551787950 /nfs/dbraw/zinc/78/79/50/551787950.db2.gz JRHXOMBDEJHYTI-UHFFFAOYSA-N 0 1 512.638 4.273 50 0 KIAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002212473 551794425 /nfs/dbraw/zinc/79/44/25/551794425.db2.gz BGHVDJNBCWPPKQ-DOGKRZLPSA-N 0 1 503.908 4.407 50 0 KIAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc(Br)c1O ZINC000002228498 552082089 /nfs/dbraw/zinc/08/20/89/552082089.db2.gz NLFPGPJWVAGOCO-FQEVSTJZSA-N 0 1 522.783 4.148 50 0 KIAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc(Br)c1O ZINC000002228500 552082097 /nfs/dbraw/zinc/08/20/97/552082097.db2.gz NLFPGPJWVAGOCO-HXUWFJFHSA-N 0 1 522.783 4.148 50 0 KIAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002236579 552082579 /nfs/dbraw/zinc/08/25/79/552082579.db2.gz VIXKFUYXIFIRLF-FQEVSTJZSA-N 0 1 522.783 4.412 50 0 KIAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002236581 552082633 /nfs/dbraw/zinc/08/26/33/552082633.db2.gz VIXKFUYXIFIRLF-HXUWFJFHSA-N 0 1 522.783 4.412 50 0 KIAAMN COC(=O)c1c([N-]C(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)sc2c1CC[N@@H+](C)C2 ZINC000002306950 551808818 /nfs/dbraw/zinc/80/88/18/551808818.db2.gz XCHFFIYETRKCLG-UHFFFAOYSA-N 0 1 509.472 4.494 50 0 KIAAMN CC1(C)CN=C(N2CCN(C[C@H](O)Cn3c4ccccc4c4cc(Br)ccc43)CC2)S1 ZINC000002314889 552092338 /nfs/dbraw/zinc/09/23/38/552092338.db2.gz DIWHKVGYIDGIKS-SFHVURJKSA-N 0 1 501.494 4.417 50 0 KIAAMN CC1(C)CN=C(N2CCN(C[C@@H](O)Cn3c4ccccc4c4cc(Br)ccc43)CC2)S1 ZINC000002314890 552092388 /nfs/dbraw/zinc/09/23/88/552092388.db2.gz DIWHKVGYIDGIKS-GOSISDBHSA-N 0 1 501.494 4.417 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000002316620 552092713 /nfs/dbraw/zinc/09/27/13/552092713.db2.gz FRIAIDSWQMWFDP-UHFFFAOYSA-N 0 1 510.428 4.328 50 0 KIAAMN CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002328261 552095677 /nfs/dbraw/zinc/09/56/77/552095677.db2.gz LZOTYZLKOZHFHC-DOGKRZLPSA-N 0 1 503.908 4.352 50 0 KIAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000002388890 552108522 /nfs/dbraw/zinc/10/85/22/552108522.db2.gz SFFNQYLBPGQOKV-UHFFFAOYSA-N 0 1 504.641 4.468 50 0 KIAAMN Cn1nccc1C(=O)Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000002426670 552116957 /nfs/dbraw/zinc/11/69/57/552116957.db2.gz DZKDLLHIHSJKOT-GVAUOCQISA-N 0 1 528.952 4.344 50 0 KIAAMN Nc1cc(N)nc(SCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2ccccc2)n1 ZINC000002586462 552131180 /nfs/dbraw/zinc/13/11/80/552131180.db2.gz IPNHRGUTYBFESO-UHFFFAOYSA-N 0 1 532.577 4.264 50 0 KIAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002628132 552139188 /nfs/dbraw/zinc/13/91/88/552139188.db2.gz HKSZFRBSLZRENB-UHFFFAOYSA-N 0 1 536.477 4.140 50 0 KIAAMN O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002629336 552139565 /nfs/dbraw/zinc/13/95/65/552139565.db2.gz ZMFSQLJCFLIHFB-UHFFFAOYSA-N 0 1 512.444 4.294 50 0 KIAAMN COc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002635556 552140768 /nfs/dbraw/zinc/14/07/68/552140768.db2.gz QUSMPCVTOPOSKZ-UHFFFAOYSA-N 0 1 538.553 4.248 50 0 KIAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCCOC(C)C)c2)cc1Cl ZINC000002644167 552144371 /nfs/dbraw/zinc/14/43/71/552144371.db2.gz HOVAGYHOMFBPQD-UHFFFAOYSA-N 0 1 505.420 4.356 50 0 KIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)cc2)n1 ZINC000002709347 552160692 /nfs/dbraw/zinc/16/06/92/552160692.db2.gz KLNHQZKYWKFNFV-UHFFFAOYSA-N 0 1 559.714 4.141 50 0 KIAAMN CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc(OCC)c1OCC ZINC000002709485 552160702 /nfs/dbraw/zinc/16/07/02/552160702.db2.gz UMYLDGCJJANNLQ-UHFFFAOYSA-N 0 1 500.577 4.034 50 0 KIAAMN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709520 552160724 /nfs/dbraw/zinc/16/07/24/552160724.db2.gz BDSDCYTXVJGYAV-UHFFFAOYSA-N 0 1 565.677 4.049 50 0 KIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709534 552160729 /nfs/dbraw/zinc/16/07/29/552160729.db2.gz UALYZFVRXBKLRJ-UHFFFAOYSA-N 0 1 551.650 4.053 50 0 KIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)cc2)n1 ZINC000002709555 552160753 /nfs/dbraw/zinc/16/07/53/552160753.db2.gz TVUCKPCVBMBNEI-UHFFFAOYSA-N 0 1 579.704 4.437 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)n1 ZINC000002709566 552160696 /nfs/dbraw/zinc/16/06/96/552160696.db2.gz VNNLOYCMYUTXPF-UHFFFAOYSA-N 0 1 577.688 4.288 50 0 KIAAMN Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000002712458 552160991 /nfs/dbraw/zinc/16/09/91/552160991.db2.gz WWZMGIRSTFYZLV-UHFFFAOYSA-N 0 1 503.915 4.069 50 0 KIAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]c2=O)cc1OC ZINC000002712625 552160980 /nfs/dbraw/zinc/16/09/80/552160980.db2.gz ROZAKFBJNWWVGT-UHFFFAOYSA-N 0 1 557.938 4.025 50 0 KIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCc4cc(OC)ccc4OC)c3=O)c2c1 ZINC000002713067 552160903 /nfs/dbraw/zinc/16/09/03/552160903.db2.gz POZMYXFSUIYCEJ-UHFFFAOYSA-N 0 1 510.616 4.095 50 0 KIAAMN CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)nnc1-c1ccccc1Br ZINC000002841240 552199177 /nfs/dbraw/zinc/19/91/77/552199177.db2.gz DSICUXAAVZNDBG-UHFFFAOYSA-N 0 1 588.513 4.358 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 ZINC000002842089 552199491 /nfs/dbraw/zinc/19/94/91/552199491.db2.gz NGMLKBPWGHRFPP-UHFFFAOYSA-N 0 1 540.454 4.093 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)n1 ZINC000002843774 552200154 /nfs/dbraw/zinc/20/01/54/552200154.db2.gz ANJSVECIVKQVGP-UHFFFAOYSA-N 0 1 525.812 4.328 50 0 KIAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000002853223 552201711 /nfs/dbraw/zinc/20/17/11/552201711.db2.gz TYJHSNGZKYWAFX-UHFFFAOYSA-N 0 1 523.471 4.103 50 0 KIAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 ZINC000002853791 552201767 /nfs/dbraw/zinc/20/17/67/552201767.db2.gz YVKWWVAKKHMGJH-UHFFFAOYSA-N 0 1 544.460 4.094 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c(OC)c1 ZINC000002869097 552206408 /nfs/dbraw/zinc/20/64/08/552206408.db2.gz ISEURFAVTPQGNW-UHFFFAOYSA-N 0 1 538.363 4.362 50 0 KIAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000002873780 552207207 /nfs/dbraw/zinc/20/72/07/552207207.db2.gz GIIVJQHPWVGGAF-UHFFFAOYSA-N 0 1 520.032 4.178 50 0 KIAAMN COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 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CCN1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCC[C@H](C)C5)cc4)cc3s2)CC1 ZINC000012490000 553380221 /nfs/dbraw/zinc/38/02/21/553380221.db2.gz XWPAVBHVZJUOJS-IBGZPJMESA-N 0 1 528.700 4.078 50 0 KIAAMN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCN(CC)CC4)sc3c2)cc1 ZINC000012490090 553380309 /nfs/dbraw/zinc/38/03/09/553380309.db2.gz HBXZDVDMRVOEBD-UHFFFAOYSA-N 0 1 516.689 4.078 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 ZINC000012523924 553383174 /nfs/dbraw/zinc/38/31/74/553383174.db2.gz MNEGWXAPAQRUGV-UHFFFAOYSA-N 0 1 509.462 4.305 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC000012524858 553383923 /nfs/dbraw/zinc/38/39/23/553383923.db2.gz IHHOVJAOLHRBKQ-UHFFFAOYSA-N 0 1 525.652 4.463 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)c2)cc1 ZINC000012526165 553384241 /nfs/dbraw/zinc/38/42/41/553384241.db2.gz ALVFMOLHWZKVSE-RUZDIDTESA-N 0 1 509.628 4.072 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)c2)cc1 ZINC000012526166 553384267 /nfs/dbraw/zinc/38/42/67/553384267.db2.gz ALVFMOLHWZKVSE-VWLOTQADSA-N 0 1 509.628 4.072 50 0 KIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526205 553384262 /nfs/dbraw/zinc/38/42/62/553384262.db2.gz GPCQCHIOFICVCZ-OAQYLSRUSA-N 0 1 518.433 4.410 50 0 KIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526206 553384256 /nfs/dbraw/zinc/38/42/56/553384256.db2.gz GPCQCHIOFICVCZ-NRFANRHFSA-N 0 1 518.433 4.410 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)c2)cc1 ZINC000012526211 553384152 /nfs/dbraw/zinc/38/41/52/553384152.db2.gz DKNHXDQKHWQUII-AREMUKBSSA-N 0 1 509.628 4.072 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)c2)cc1 ZINC000012526212 553384204 /nfs/dbraw/zinc/38/42/04/553384204.db2.gz DKNHXDQKHWQUII-SANMLTNESA-N 0 1 509.628 4.072 50 0 KIAAMN CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2)cc1 ZINC000012526226 553384130 /nfs/dbraw/zinc/38/41/30/553384130.db2.gz RPKKVOPUWHSAFZ-HHHXNRCGSA-N 0 1 523.655 4.462 50 0 KIAAMN CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2)cc1 ZINC000012526227 553384058 /nfs/dbraw/zinc/38/40/58/553384058.db2.gz RPKKVOPUWHSAFZ-MHZLTWQESA-N 0 1 523.655 4.462 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1C ZINC000012526324 553384113 /nfs/dbraw/zinc/38/41/13/553384113.db2.gz ZAXLLUHIPUPTKQ-DHZHZOJOSA-N 0 1 505.640 4.276 50 0 KIAAMN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)cc2)cc1 ZINC000012526392 553384047 /nfs/dbraw/zinc/38/40/47/553384047.db2.gz WLIMDFKZIHFJOQ-AREMUKBSSA-N 0 1 523.655 4.462 50 0 KIAAMN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)cc1 ZINC000012526393 553384181 /nfs/dbraw/zinc/38/41/81/553384181.db2.gz WLIMDFKZIHFJOQ-SANMLTNESA-N 0 1 523.655 4.462 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1N1CCCC1 ZINC000012530980 553386199 /nfs/dbraw/zinc/38/61/99/553386199.db2.gz NXWGVEFHIUCRIA-UHFFFAOYSA-N 0 1 519.579 4.455 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012537847 553388039 /nfs/dbraw/zinc/38/80/39/553388039.db2.gz SIDBMIANZQHEOZ-UHFFFAOYSA-N 0 1 524.609 4.274 50 0 KIAAMN CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 ZINC000012540985 553389157 /nfs/dbraw/zinc/38/91/57/553389157.db2.gz XWTPRCKJRICTLC-JOCHJYFZSA-N 0 1 509.628 4.465 50 0 KIAAMN CC[C@H](C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 ZINC000012540986 553389142 /nfs/dbraw/zinc/38/91/42/553389142.db2.gz XWTPRCKJRICTLC-QFIPXVFZSA-N 0 1 509.628 4.465 50 0 KIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012544801 553391236 /nfs/dbraw/zinc/39/12/36/553391236.db2.gz BDLWOGFBCAQGHD-OAQYLSRUSA-N 0 1 518.433 4.410 50 0 KIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012544802 553391215 /nfs/dbraw/zinc/39/12/15/553391215.db2.gz BDLWOGFBCAQGHD-NRFANRHFSA-N 0 1 518.433 4.410 50 0 KIAAMN CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c2ccccc2c1=O ZINC000012546645 553391666 /nfs/dbraw/zinc/39/16/66/553391666.db2.gz OWERFMVSLKXUOY-UHFFFAOYSA-N 0 1 506.584 4.258 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012549356 553392663 /nfs/dbraw/zinc/39/26/63/553392663.db2.gz YARKNXKPYKZCAQ-UHFFFAOYSA-N 0 1 524.609 4.274 50 0 KIAAMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012583725 553399450 /nfs/dbraw/zinc/39/94/50/553399450.db2.gz TYTNZYKTJCKOTF-UHFFFAOYSA-N 0 1 519.620 4.218 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1N1CCCC1 ZINC000012585047 553399607 /nfs/dbraw/zinc/39/96/07/553399607.db2.gz SZYKTBOIDDZIST-UHFFFAOYSA-N 0 1 519.579 4.455 50 0 KIAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 ZINC000012601678 553401816 /nfs/dbraw/zinc/40/18/16/553401816.db2.gz BSUMYMVHMJIFBK-UHFFFAOYSA-N 0 1 522.048 4.260 50 0 KIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000012632809 553405929 /nfs/dbraw/zinc/40/59/29/553405929.db2.gz NDSHYMBAUISTEK-UHFFFAOYSA-N 0 1 511.047 4.096 50 0 KIAAMN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000012632834 553405913 /nfs/dbraw/zinc/40/59/13/553405913.db2.gz JGJAWZPRDQSDSD-UHFFFAOYSA-N 0 1 529.062 4.178 50 0 KIAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012647582 553409153 /nfs/dbraw/zinc/40/91/53/553409153.db2.gz UWCIBKQEEONMIZ-CQSZACIVSA-N 0 1 507.490 4.272 50 0 KIAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012647584 553409081 /nfs/dbraw/zinc/40/90/81/553409081.db2.gz UWCIBKQEEONMIZ-AWEZNQCLSA-N 0 1 507.490 4.272 50 0 KIAAMN COc1ccc(NC(=S)NC(=O)C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012651206 553409575 /nfs/dbraw/zinc/40/95/75/553409575.db2.gz IEINUSJNWMOIJH-UHFFFAOYSA-N 0 1 512.451 4.262 50 0 KIAAMN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012872629 553424210 /nfs/dbraw/zinc/42/42/10/553424210.db2.gz UYVXXMRBDXIAQJ-WOJBJXKFSA-N 0 1 508.482 4.237 50 0 KIAAMN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012872639 553424188 /nfs/dbraw/zinc/42/41/88/553424188.db2.gz UYVXXMRBDXIAQJ-VQTJNVASSA-N 0 1 508.482 4.237 50 0 KIAAMN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012872648 553424193 /nfs/dbraw/zinc/42/41/93/553424193.db2.gz UYVXXMRBDXIAQJ-UXHICEINSA-N 0 1 508.482 4.237 50 0 KIAAMN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012872658 553424214 /nfs/dbraw/zinc/42/42/14/553424214.db2.gz UYVXXMRBDXIAQJ-PMACEKPBSA-N 0 1 508.482 4.237 50 0 KIAAMN CC(C)Cn1c(N)c([C@H](c2ccc(-c3ccccc3)s2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 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553446958 /nfs/dbraw/zinc/44/69/58/553446958.db2.gz JSRLMRXBTUHMHB-NRFANRHFSA-N 0 1 513.909 4.471 50 0 KIAAMN CCOC(=O)C1C(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013098371 553446965 /nfs/dbraw/zinc/44/69/65/553446965.db2.gz UIGZFKJVSCUXKB-OAQYLSRUSA-N 0 1 512.925 4.001 50 0 KIAAMN CCOC(=O)C1C(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)=NC(=O)N[C@H]1c1ccccc1 ZINC000013098372 553447010 /nfs/dbraw/zinc/44/70/10/553447010.db2.gz UIGZFKJVSCUXKB-NRFANRHFSA-N 0 1 512.925 4.001 50 0 KIAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)[NH+]1CCCC1 ZINC000013134458 553452136 /nfs/dbraw/zinc/45/21/36/553452136.db2.gz YJNJBPVVJGYQHI-AREMUKBSSA-N 0 1 521.639 4.266 50 0 KIAAMN COc1ccccc1[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)[NH+]1CCCC1 ZINC000013134459 553452095 /nfs/dbraw/zinc/45/20/95/553452095.db2.gz YJNJBPVVJGYQHI-SANMLTNESA-N 0 1 521.639 4.266 50 0 KIAAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[N-][NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000013136748 1064288375 /nfs/dbraw/zinc/28/83/75/1064288375.db2.gz JBXYLZQLIQJOLZ-UHFFFAOYSA-N 0 1 515.979 4.332 50 0 KIAAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1ccc(N2CCOCC2)cc1 ZINC000013136748 1064288366 /nfs/dbraw/zinc/28/83/66/1064288366.db2.gz JBXYLZQLIQJOLZ-UHFFFAOYSA-N 0 1 515.979 4.332 50 0 KIAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 ZINC000013146534 553455296 /nfs/dbraw/zinc/45/52/96/553455296.db2.gz PSCBVJVBVIUXKC-UHFFFAOYSA-N 0 1 501.596 4.151 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)ccc1N1CCCC1 ZINC000013149859 553456473 /nfs/dbraw/zinc/45/64/73/553456473.db2.gz YICYCADYSOBDIQ-DEOSSOPVSA-N 0 1 521.595 4.337 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@H]2OC(=O)c3ccccc32)ccc1N1CCCC1 ZINC000013149860 553456458 /nfs/dbraw/zinc/45/64/58/553456458.db2.gz YICYCADYSOBDIQ-XMMPIXPASA-N 0 1 521.595 4.337 50 0 KIAAMN Cc1ccc([S@@](C)(=O)=NC(=S)NC(=O)c2cnn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000013466328 553459718 /nfs/dbraw/zinc/45/97/18/553459718.db2.gz ZWRKGEMPLIENRV-MGBGTMOVSA-N 0 1 509.457 4.247 50 0 KIAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000013523570 553468450 /nfs/dbraw/zinc/46/84/50/553468450.db2.gz FDXBEFLZXJUCQJ-UHFFFAOYSA-N 0 1 514.460 4.197 50 0 KIAAMN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)N[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000013607949 553477492 /nfs/dbraw/zinc/47/74/92/553477492.db2.gz LEMQFEFMIIMPQR-PYHHMDQSSA-N 0 1 519.985 4.229 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1C ZINC000014356711 553512195 /nfs/dbraw/zinc/51/21/95/553512195.db2.gz ILRPHARRLZUQQE-UHFFFAOYSA-N 0 1 508.552 4.237 50 0 KIAAMN CC(C)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)cc1 ZINC000014360662 553514166 /nfs/dbraw/zinc/51/41/66/553514166.db2.gz ANNVKNGRKYVPKU-UHFFFAOYSA-N 0 1 506.568 4.336 50 0 KIAAMN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014534745 553517801 /nfs/dbraw/zinc/51/78/01/553517801.db2.gz QATQLNOPCRXPTQ-UHFFFAOYSA-N 0 1 508.644 4.140 50 0 KIAAMN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c2ccccc12 ZINC000014987207 553523781 /nfs/dbraw/zinc/52/37/81/553523781.db2.gz QXGSTAAQWKOKGZ-UHFFFAOYSA-N 0 1 523.637 4.280 50 0 KIAAMN COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(N3CCN(C)CC3)n2)c1 ZINC000014991400 553524198 /nfs/dbraw/zinc/52/41/98/553524198.db2.gz MIZWNWKJJQLHHL-UHFFFAOYSA-N 0 1 514.548 4.466 50 0 KIAAMN Cc1nn(C)cc1CNC(=O)COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1 ZINC000015068106 553527256 /nfs/dbraw/zinc/52/72/56/553527256.db2.gz BOXGLRFIAJSHGI-UHFFFAOYSA-N 0 1 515.683 4.474 50 0 KIAAMN CC1(C)C[C@@H](NC(=O)c2ccc(CN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000015069342 553527421 /nfs/dbraw/zinc/52/74/21/553527421.db2.gz ODVKBTOPSJGISE-SANMLTNESA-N 0 1 529.681 4.210 50 0 KIAAMN CC1(C)C[C@H](NC(=O)c2ccc(CN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000015069344 553527294 /nfs/dbraw/zinc/52/72/94/553527294.db2.gz ODVKBTOPSJGISE-AREMUKBSSA-N 0 1 529.681 4.210 50 0 KIAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015276269 553530253 /nfs/dbraw/zinc/53/02/53/553530253.db2.gz NZAMWYOVJPKKPX-XHQAOKIUSA-N 0 1 511.597 4.387 50 0 KIAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015320462 553531917 /nfs/dbraw/zinc/53/19/17/553531917.db2.gz XRBHBAWULXUMMS-CFRBSIFHSA-N 0 1 515.610 4.099 50 0 KIAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015320497 553531871 /nfs/dbraw/zinc/53/18/71/553531871.db2.gz ZRFGCOFGZGFLFM-XHQAOKIUSA-N 0 1 511.597 4.387 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000015912210 553541632 /nfs/dbraw/zinc/54/16/32/553541632.db2.gz CMJVMEXUYCJNOP-UHFFFAOYSA-N 0 1 512.959 4.343 50 0 KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000015956690 553546288 /nfs/dbraw/zinc/54/62/88/553546288.db2.gz HXCKYPRXEGBRCE-MVPDCNEZSA-N 0 1 513.981 4.019 50 0 biogenic KIAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000015956900 553546357 /nfs/dbraw/zinc/54/63/57/553546357.db2.gz GEUCIRDPVUBKDK-WPQKMFINSA-N 0 1 512.569 4.489 50 0 biogenic KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015959335 553546657 /nfs/dbraw/zinc/54/66/57/553546657.db2.gz GPMILASLXAYRTN-YAGSXNBFSA-N 0 1 507.590 4.408 50 0 KIAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968006 553547212 /nfs/dbraw/zinc/54/72/12/553547212.db2.gz YSEWFROULTYVQI-YDXRHMNESA-N 0 1 525.008 4.027 50 0 biogenic KIAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968009 553547147 /nfs/dbraw/zinc/54/71/47/553547147.db2.gz YSEWFROULTYVQI-SODQHWRNSA-N 0 1 525.008 4.027 50 0 biogenic KIAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968011 553547127 /nfs/dbraw/zinc/54/71/27/553547127.db2.gz YSEWFROULTYVQI-ZASNTINBSA-N 0 1 525.008 4.027 50 0 biogenic KIAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968013 553547135 /nfs/dbraw/zinc/54/71/35/553547135.db2.gz YSEWFROULTYVQI-ZRIOWSNCSA-N 0 1 525.008 4.027 50 0 biogenic KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015968083 553547183 /nfs/dbraw/zinc/54/71/83/553547183.db2.gz TXAPGBAUFDPOSG-LQCJGMINSA-N 0 1 507.590 4.408 50 0 KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968450 553547172 /nfs/dbraw/zinc/54/71/72/553547172.db2.gz AIYXPECHDHQTHQ-HNFJUSDZSA-N 0 1 510.981 4.297 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968452 553547208 /nfs/dbraw/zinc/54/72/08/553547208.db2.gz AIYXPECHDHQTHQ-MVPDCNEZSA-N 0 1 510.981 4.297 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968453 553547186 /nfs/dbraw/zinc/54/71/86/553547186.db2.gz AIYXPECHDHQTHQ-IDCDSMMUSA-N 0 1 510.981 4.297 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968455 553547190 /nfs/dbraw/zinc/54/71/90/553547190.db2.gz AIYXPECHDHQTHQ-CHCBTGSZSA-N 0 1 510.981 4.297 50 0 biogenic KIAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971895 553547626 /nfs/dbraw/zinc/54/76/26/553547626.db2.gz TVVHSPVHRUUGGH-DHMIZTNRSA-N 0 1 514.944 4.128 50 0 KIAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971897 553547560 /nfs/dbraw/zinc/54/75/60/553547560.db2.gz TVVHSPVHRUUGGH-KYALDGGBSA-N 0 1 514.944 4.128 50 0 KIAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000015980570 553548544 /nfs/dbraw/zinc/54/85/44/553548544.db2.gz AHIAETNEOAIDMS-KRWDZBQOSA-N 0 1 514.467 4.114 50 0 KIAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000015980572 553548694 /nfs/dbraw/zinc/54/86/94/553548694.db2.gz AHIAETNEOAIDMS-QGZVFWFLSA-N 0 1 514.467 4.114 50 0 KIAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996917 553549507 /nfs/dbraw/zinc/54/95/07/553549507.db2.gz HWDPFJYBEWFTIK-CMCWBKRRSA-N 0 1 503.908 4.204 50 0 KIAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000659 553549945 /nfs/dbraw/zinc/54/99/45/553549945.db2.gz MOVHWHGVJBESTF-NARGUJOISA-N 0 1 503.908 4.407 50 0 KIAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000016006864 553550273 /nfs/dbraw/zinc/55/02/73/553550273.db2.gz DKZLILOJMLTBJU-NJBJSMFESA-N 0 1 512.537 4.405 50 0 KIAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010042 553550497 /nfs/dbraw/zinc/55/04/97/553550497.db2.gz BGHVDJNBCWPPKQ-NARGUJOISA-N 0 1 503.908 4.407 50 0 KIAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012094 553550673 /nfs/dbraw/zinc/55/06/73/553550673.db2.gz LZOTYZLKOZHFHC-NARGUJOISA-N 0 1 503.908 4.352 50 0 KIAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000016012392 553550938 /nfs/dbraw/zinc/55/09/38/553550938.db2.gz SPKHMHKOCHPNBW-PBWVOLNLSA-N 0 1 509.937 4.037 50 0 KIAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021426 553551142 /nfs/dbraw/zinc/55/11/42/553551142.db2.gz YLJZCWJLRRAUJQ-NLJXWPIHSA-N 0 1 503.002 4.117 50 0 KIAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021428 553551139 /nfs/dbraw/zinc/55/11/39/553551139.db2.gz YLJZCWJLRRAUJQ-IMBSWCNGSA-N 0 1 503.002 4.117 50 0 KIAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021430 553551241 /nfs/dbraw/zinc/55/12/41/553551241.db2.gz YLJZCWJLRRAUJQ-QUIZSENMSA-N 0 1 503.002 4.117 50 0 KIAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021432 553551171 /nfs/dbraw/zinc/55/11/71/553551171.db2.gz YLJZCWJLRRAUJQ-DFIMXKNXSA-N 0 1 503.002 4.117 50 0 KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021666 553551199 /nfs/dbraw/zinc/55/11/99/553551199.db2.gz VWAJLQMUPIMLBJ-HNFJUSDZSA-N 0 1 517.029 4.426 50 0 KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021667 553551149 /nfs/dbraw/zinc/55/11/49/553551149.db2.gz VWAJLQMUPIMLBJ-MVPDCNEZSA-N 0 1 517.029 4.426 50 0 KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021668 553551211 /nfs/dbraw/zinc/55/12/11/553551211.db2.gz VWAJLQMUPIMLBJ-IDCDSMMUSA-N 0 1 517.029 4.426 50 0 KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021669 553551187 /nfs/dbraw/zinc/55/11/87/553551187.db2.gz VWAJLQMUPIMLBJ-CHCBTGSZSA-N 0 1 517.029 4.426 50 0 KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016033885 553551715 /nfs/dbraw/zinc/55/17/15/553551715.db2.gz HYHXJRLPTXAGKQ-QLBZUPSYSA-N 0 1 503.908 4.352 50 0 KIAAMN COc1cc(C(O)=C2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000016040643 553552864 /nfs/dbraw/zinc/55/28/64/553552864.db2.gz HOPKMXANQZZBKP-GMVMSBRFSA-N 0 1 524.573 4.275 50 0 biogenic KIAAMN Cn1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2ccccc2c1=O ZINC000016044767 553554315 /nfs/dbraw/zinc/55/43/15/553554315.db2.gz BUFPIPHTVDABBY-UHFFFAOYSA-N 0 1 503.367 4.293 50 0 KIAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000016248564 553557717 /nfs/dbraw/zinc/55/77/17/553557717.db2.gz HUWNYZAKFREHFC-UHFFFAOYSA-N 0 1 513.519 4.130 50 0 KIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2Cl)c(C)c1 ZINC000016284976 553558615 /nfs/dbraw/zinc/55/86/15/553558615.db2.gz FFGHSKNHEWEREP-UHFFFAOYSA-N 0 1 522.048 4.406 50 0 KIAAMN COc1cccc(N2C(=O)NC(=O)[C@@](CCc3ccncc3)(Cc3ccc(Br)cc3)C2=O)c1 ZINC000016293310 553559156 /nfs/dbraw/zinc/55/91/56/553559156.db2.gz PZGBYGMOQVBBJL-RUZDIDTESA-N 0 1 508.372 4.297 50 0 KIAAMN COc1cccc(N2C(=O)NC(=O)[C@](CCc3ccncc3)(Cc3ccc(Br)cc3)C2=O)c1 ZINC000016293313 553559170 /nfs/dbraw/zinc/55/91/70/553559170.db2.gz PZGBYGMOQVBBJL-VWLOTQADSA-N 0 1 508.372 4.297 50 0 KIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nc(SCc2ccccc2)ncc1Cl ZINC000016447827 553564776 /nfs/dbraw/zinc/56/47/76/553564776.db2.gz IHDQJCWRLKOGGR-UHFFFAOYSA-N 0 1 513.004 4.265 50 0 KIAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000016534162 553567558 /nfs/dbraw/zinc/56/75/58/553567558.db2.gz WGXDONXREZCBTO-HMAPJEAMSA-N 0 1 501.524 4.231 50 0 KIAAMN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000016913594 553583925 /nfs/dbraw/zinc/58/39/25/553583925.db2.gz OCGLOMKMOJBWFL-UHFFFAOYSA-N 0 1 524.668 4.338 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2ccc(F)cc2s1 ZINC000016913612 553583933 /nfs/dbraw/zinc/58/39/33/553583933.db2.gz XIECNRVAJCQNGP-UHFFFAOYSA-N 0 1 524.643 4.395 50 0 KIAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000017013649 553586312 /nfs/dbraw/zinc/58/63/12/553586312.db2.gz ZKMDURDTNXXWDR-UHFFFAOYSA-N 0 1 511.648 4.472 50 0 KIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc21 ZINC000017026771 553586870 /nfs/dbraw/zinc/58/68/70/553586870.db2.gz ABYXOJVVUOXLAZ-GOSISDBHSA-N 0 1 530.716 4.242 50 0 KIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc21 ZINC000017026773 553586968 /nfs/dbraw/zinc/58/69/68/553586968.db2.gz ABYXOJVVUOXLAZ-SFHVURJKSA-N 0 1 530.716 4.242 50 0 KIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000017026776 553587000 /nfs/dbraw/zinc/58/70/00/553587000.db2.gz BLOABNFHVQEUBO-IBGZPJMESA-N 0 1 530.716 4.385 50 0 KIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc21 ZINC000017026778 553586992 /nfs/dbraw/zinc/58/69/92/553586992.db2.gz BLOABNFHVQEUBO-LJQANCHMSA-N 0 1 530.716 4.385 50 0 KIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000017026780 553586959 /nfs/dbraw/zinc/58/69/59/553586959.db2.gz RUGOETIKCGAOTJ-UHFFFAOYSA-N 0 1 530.716 4.386 50 0 KIAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc2c1 ZINC000017245238 553591490 /nfs/dbraw/zinc/59/14/90/553591490.db2.gz AVDWEGVUNVMSJU-SFHVURJKSA-N 0 1 516.689 4.076 50 0 KIAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2c1 ZINC000017245242 553591471 /nfs/dbraw/zinc/59/14/71/553591471.db2.gz AVDWEGVUNVMSJU-GOSISDBHSA-N 0 1 516.689 4.076 50 0 KIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000017315713 553593388 /nfs/dbraw/zinc/59/33/88/553593388.db2.gz UXRCTLVHFIVYSL-UHFFFAOYSA-N 0 1 530.716 4.324 50 0 KIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1 ZINC000017315716 553593333 /nfs/dbraw/zinc/59/33/33/553593333.db2.gz HPYOJLWQWUDRJB-LJQANCHMSA-N 0 1 530.716 4.324 50 0 KIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1 ZINC000017315719 553593372 /nfs/dbraw/zinc/59/33/72/553593372.db2.gz HPYOJLWQWUDRJB-IBGZPJMESA-N 0 1 530.716 4.324 50 0 KIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2c1 ZINC000017315722 553593392 /nfs/dbraw/zinc/59/33/92/553593392.db2.gz CSMWSNOHARWAOU-IBGZPJMESA-N 0 1 530.716 4.467 50 0 KIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)sc2c1 ZINC000017315725 553593353 /nfs/dbraw/zinc/59/33/53/553593353.db2.gz CSMWSNOHARWAOU-LJQANCHMSA-N 0 1 530.716 4.467 50 0 KIAAMN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc(N6CCOCC6)ccc5[nH]c4=S)cc3)CC2)cc1 ZINC000017337607 553593688 /nfs/dbraw/zinc/59/36/88/553593688.db2.gz BTONUNHWIANVKX-UHFFFAOYSA-N 0 1 583.714 4.109 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000017376286 553594917 /nfs/dbraw/zinc/59/49/17/553594917.db2.gz WFLNLEVCPDHUNQ-UHFFFAOYSA-N 0 1 552.678 4.101 50 0 KIAAMN CCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OCC ZINC000017434247 553596187 /nfs/dbraw/zinc/59/61/87/553596187.db2.gz ZOMIOIOKARXWEM-UHFFFAOYSA-N 0 1 547.700 4.170 50 0 KIAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000017747725 553599537 /nfs/dbraw/zinc/59/95/37/553599537.db2.gz GDEBMACEGIKBHB-SJBKTWHCSA-N 0 1 513.319 4.354 50 0 KIAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@@H](NS(C)(=O)=O)C(=O)c1ccccc1 ZINC000018198599 553609693 /nfs/dbraw/zinc/60/96/93/553609693.db2.gz FYTXGKDUMFOLSR-BJKOFHAPSA-N 0 1 510.015 4.472 50 0 KIAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@@H](NS(C)(=O)=O)C(=O)c1ccccc1 ZINC000018198601 553609684 /nfs/dbraw/zinc/60/96/84/553609684.db2.gz FYTXGKDUMFOLSR-DNQXCXABSA-N 0 1 510.015 4.472 50 0 KIAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@H](NS(C)(=O)=O)C(=O)c1ccccc1 ZINC000018198603 553609668 /nfs/dbraw/zinc/60/96/68/553609668.db2.gz FYTXGKDUMFOLSR-ZEQRLZLVSA-N 0 1 510.015 4.472 50 0 KIAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@H](NS(C)(=O)=O)C(=O)c1ccccc1 ZINC000018198605 553609714 /nfs/dbraw/zinc/60/97/14/553609714.db2.gz FYTXGKDUMFOLSR-RPWUZVMVSA-N 0 1 510.015 4.472 50 0 KIAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000019333750 553613830 /nfs/dbraw/zinc/61/38/30/553613830.db2.gz JTILRZHEIXQAOZ-UHFFFAOYSA-N 0 1 500.618 4.459 50 0 KIAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000019720912 553615638 /nfs/dbraw/zinc/61/56/38/553615638.db2.gz URZKEBUKLPOXSO-XMMPIXPASA-N 0 1 504.428 4.488 50 0 KIAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019798967 553617061 /nfs/dbraw/zinc/61/70/61/553617061.db2.gz ZJEKRYKLKKOHBG-UHFFFAOYSA-N 0 1 500.437 4.444 50 0 KIAAMN Cc1cccc(Oc2coc3cc(OC[C@@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912296 553633546 /nfs/dbraw/zinc/63/35/46/553633546.db2.gz AGUADGVEWOXPLJ-DEOSSOPVSA-N 0 1 500.595 4.451 50 0 KIAAMN Cc1cccc(Oc2coc3cc(OC[C@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912299 553633576 /nfs/dbraw/zinc/63/35/76/553633576.db2.gz AGUADGVEWOXPLJ-XMMPIXPASA-N 0 1 500.595 4.451 50 0 KIAAMN O=c1oc2cc(OC[C@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912365 553633433 /nfs/dbraw/zinc/63/34/33/553633433.db2.gz ZXSAZRIAXISXJI-RUZDIDTESA-N 0 1 510.634 4.429 50 0 KIAAMN O=c1oc2cc(OC[C@@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912370 553633553 /nfs/dbraw/zinc/63/35/53/553633553.db2.gz ZXSAZRIAXISXJI-VWLOTQADSA-N 0 1 510.634 4.429 50 0 KIAAMN COc1ccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c(OC)c1 ZINC000019944416 553646174 /nfs/dbraw/zinc/64/61/74/553646174.db2.gz XSJQQCKBQLNUFK-UHFFFAOYSA-N 0 1 511.630 4.122 50 0 KIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCc4ccc(OC)cc4OC)c3=O)c2c1 ZINC000020131727 553591696 /nfs/dbraw/zinc/59/16/96/553591696.db2.gz NKLTWBREDWCVPJ-UHFFFAOYSA-N 0 1 510.616 4.095 50 0 KIAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000020136115 553593789 /nfs/dbraw/zinc/59/37/89/553593789.db2.gz ZKEICYJONXHQTA-UHFFFAOYSA-N 0 1 535.092 4.016 50 0 KIAAMN CCN(CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1)c1cccc(C)c1 ZINC000020136249 553593781 /nfs/dbraw/zinc/59/37/81/553593781.db2.gz FHJZMNFIWWNMLG-UHFFFAOYSA-N 0 1 530.717 4.355 50 0 KIAAMN CCN(CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1)c1ccccc1 ZINC000020136289 553593785 /nfs/dbraw/zinc/59/37/85/553593785.db2.gz ZSKJQKZTBRXOIV-UHFFFAOYSA-N 0 1 516.690 4.047 50 0 KIAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)cc4OC)ccc3n2)CC1 ZINC000020136347 553593827 /nfs/dbraw/zinc/59/38/27/553593827.db2.gz LFTSWTOLPJRBMR-UHFFFAOYSA-N 0 1 505.619 4.060 50 0 KIAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)c(OC)c4)ccc3n2)CC1 ZINC000020136350 553593906 /nfs/dbraw/zinc/59/39/06/553593906.db2.gz HTUPLYYOCXSTSA-UHFFFAOYSA-N 0 1 505.619 4.060 50 0 KIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc(C(C)=O)cc5)CC4)ccc3n2)CC1 ZINC000020153635 553598226 /nfs/dbraw/zinc/59/82/26/553598226.db2.gz UWJMPJNIBYFABT-UHFFFAOYSA-N 0 1 516.715 4.407 50 0 KIAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020155269 553598914 /nfs/dbraw/zinc/59/89/14/553598914.db2.gz ZYIKYMMPLILGHR-UHFFFAOYSA-N 0 1 509.606 4.185 50 0 KIAAMN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000020182307 553604645 /nfs/dbraw/zinc/60/46/45/553604645.db2.gz OAQQFEOOPGENSE-UHFFFAOYSA-N 0 1 511.670 4.156 50 0 KIAAMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000020192484 553606145 /nfs/dbraw/zinc/60/61/45/553606145.db2.gz WVUBTXWIRDWAII-DHZHZOJOSA-N 0 1 520.630 4.021 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214193 553612672 /nfs/dbraw/zinc/61/26/72/553612672.db2.gz DPPVFZVUGAZXAT-HSZRJFAPSA-N 0 1 503.430 4.295 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214196 553612626 /nfs/dbraw/zinc/61/26/26/553612626.db2.gz DPPVFZVUGAZXAT-QHCPKHFHSA-N 0 1 503.430 4.295 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214406 553612903 /nfs/dbraw/zinc/61/29/03/553612903.db2.gz KPYUOUAJTJMTTC-RUZDIDTESA-N 0 1 513.038 4.121 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214410 553612874 /nfs/dbraw/zinc/61/28/74/553612874.db2.gz KPYUOUAJTJMTTC-VWLOTQADSA-N 0 1 513.038 4.121 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214519 553612893 /nfs/dbraw/zinc/61/28/93/553612893.db2.gz PVBHQNKYZDUZOY-RUZDIDTESA-N 0 1 513.038 4.121 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214523 553613331 /nfs/dbraw/zinc/61/33/31/553613331.db2.gz PVBHQNKYZDUZOY-VWLOTQADSA-N 0 1 513.038 4.121 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214645 553613345 /nfs/dbraw/zinc/61/33/45/553613345.db2.gz ZJMCEEQGWMVESJ-HHHXNRCGSA-N 0 1 506.647 4.084 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214649 553613318 /nfs/dbraw/zinc/61/33/18/553613318.db2.gz ZJMCEEQGWMVESJ-MHZLTWQESA-N 0 1 506.647 4.084 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214660 553613219 /nfs/dbraw/zinc/61/32/19/553613219.db2.gz LELYQUAJXFCTMS-HHHXNRCGSA-N 0 1 506.647 4.084 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214664 553613202 /nfs/dbraw/zinc/61/32/02/553613202.db2.gz LELYQUAJXFCTMS-MHZLTWQESA-N 0 1 506.647 4.084 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214667 553613238 /nfs/dbraw/zinc/61/32/38/553613238.db2.gz NAHPWHYLRYWBOX-KDYSTLNUSA-N 0 1 506.647 4.164 50 0 KIAAMN COc1cccc(-c2nn(C)c3sc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc23)c1 ZINC000020233480 553619068 /nfs/dbraw/zinc/61/90/68/553619068.db2.gz JFYIFADUYPUSOO-UHFFFAOYSA-N 0 1 503.672 4.248 50 0 KIAAMN COc1ccc(-c2nn(C)c3sc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc23)cc1OC ZINC000020233785 553619493 /nfs/dbraw/zinc/61/94/93/553619493.db2.gz BMANRVGWGOTKLU-UHFFFAOYSA-N 0 1 533.698 4.257 50 0 KIAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)NCc1ccc2c(c1)OCO2 ZINC000020235625 553622188 /nfs/dbraw/zinc/62/21/88/553622188.db2.gz RHDNGQKLAXPBJJ-UHFFFAOYSA-N 0 1 508.578 4.126 50 0 KIAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000020242697 553627826 /nfs/dbraw/zinc/62/78/26/553627826.db2.gz BIGZZDQDIMGHEK-BHVANESWSA-N 0 1 501.652 4.456 50 0 KIAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242699 553627833 /nfs/dbraw/zinc/62/78/33/553627833.db2.gz BIGZZDQDIMGHEK-PSXMRANNSA-N 0 1 501.652 4.456 50 0 KIAAMN CCN(CC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000020243031 553628138 /nfs/dbraw/zinc/62/81/38/553628138.db2.gz ACLRNCZGMBKVMZ-UHFFFAOYSA-N 0 1 505.640 4.060 50 0 KIAAMN CCN(CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243078 553628084 /nfs/dbraw/zinc/62/80/84/553628084.db2.gz WUXADZKMOUKXOL-UHFFFAOYSA-N 0 1 526.058 4.405 50 0 KIAAMN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)cc1Cl ZINC000020355906 553641990 /nfs/dbraw/zinc/64/19/90/553641990.db2.gz ILDUTXLNUKBMCX-UHFFFAOYSA-N 0 1 522.048 4.293 50 0 KIAAMN COc1c2c(cc3c1[C@H](c1c([O-])n(-c4ccccc4)c(=S)n(-c4ccccc4)c1=O)[N@@H+](C)CC3)OCO2 ZINC000020411669 553646553 /nfs/dbraw/zinc/64/65/53/553646553.db2.gz VOWKXFVMJSYVSO-HSZRJFAPSA-N 0 1 515.591 4.378 50 0 biogenic KIAAMN COc1c2c(cc3c1[C@H](c1c([O-])n(-c4ccccc4)c(=S)n(-c4ccccc4)c1=O)[N@H+](C)CC3)OCO2 ZINC000020411669 553646550 /nfs/dbraw/zinc/64/65/50/553646550.db2.gz VOWKXFVMJSYVSO-HSZRJFAPSA-N 0 1 515.591 4.378 50 0 biogenic KIAAMN COc1c2c(cc3c1[C@@H](c1c([O-])n(-c4ccccc4)c(=S)n(-c4ccccc4)c1=O)[N@@H+](C)CC3)OCO2 ZINC000020411672 553646587 /nfs/dbraw/zinc/64/65/87/553646587.db2.gz VOWKXFVMJSYVSO-QHCPKHFHSA-N 0 1 515.591 4.378 50 0 biogenic KIAAMN COc1c2c(cc3c1[C@@H](c1c([O-])n(-c4ccccc4)c(=S)n(-c4ccccc4)c1=O)[N@H+](C)CC3)OCO2 ZINC000020411672 553646585 /nfs/dbraw/zinc/64/65/85/553646585.db2.gz VOWKXFVMJSYVSO-QHCPKHFHSA-N 0 1 515.591 4.378 50 0 biogenic KIAAMN COc1ccc(OC)c(CN(CCN2CCOCC2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)c1 ZINC000020412820 553647232 /nfs/dbraw/zinc/64/72/32/553647232.db2.gz SPMVOGOLDSKNHL-RHZKHNMOSA-N 0 1 512.691 4.152 50 0 biogenic KIAAMN COc1ccc(OC)c(CN(CCN2CCOCC2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)c1 ZINC000020412824 553647486 /nfs/dbraw/zinc/64/74/86/553647486.db2.gz SPMVOGOLDSKNHL-HREWNLAKSA-N 0 1 512.691 4.152 50 0 biogenic KIAAMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020461105 553655567 /nfs/dbraw/zinc/65/55/67/553655567.db2.gz QEYYGOFVCOGNSE-UHFFFAOYSA-N 0 1 512.610 4.309 50 0 KIAAMN COc1ccc([C@@H](CC(=O)NCCCN2CCOCC2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000020500971 553667695 /nfs/dbraw/zinc/66/76/95/553667695.db2.gz GBGGOBFAKQMWIK-JOCHJYFZSA-N 0 1 516.067 4.196 50 0 KIAAMN COc1ccc([C@H](CC(=O)NCCCN2CCOCC2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000020500973 553667729 /nfs/dbraw/zinc/66/77/29/553667729.db2.gz GBGGOBFAKQMWIK-QFIPXVFZSA-N 0 1 516.067 4.196 50 0 KIAAMN Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2nc1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000020518574 553668770 /nfs/dbraw/zinc/66/87/70/553668770.db2.gz LTNFIBWFPKYJKK-UHFFFAOYSA-N 0 1 510.063 4.392 50 0 KIAAMN COc1cc2c(cc1OC)-c1cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(=O)n1CC2 ZINC000020519324 553669089 /nfs/dbraw/zinc/66/90/89/553669089.db2.gz CEZFHBUKPHNEAL-UHFFFAOYSA-N 0 1 508.622 4.395 50 0 KIAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2cnn(Cc3cccc4ccccc43)c2)cc1 ZINC000020533995 553670870 /nfs/dbraw/zinc/67/08/70/553670870.db2.gz VTYDCXPHBAIUAG-UHFFFAOYSA-N 0 1 515.624 4.484 50 0 KIAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2=Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)CC1 ZINC000020565489 553673616 /nfs/dbraw/zinc/67/36/16/553673616.db2.gz WWBGWCLORJQMIO-UHFFFAOYSA-N 0 1 514.957 4.118 50 0 KIAAMN CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566885 553673642 /nfs/dbraw/zinc/67/36/42/553673642.db2.gz MJRMUZWTEQGRHA-AREMUKBSSA-N 0 1 502.659 4.023 50 0 KIAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572261 553674494 /nfs/dbraw/zinc/67/44/94/553674494.db2.gz TVVHSPVHRUUGGH-SQVYLTPJSA-N 0 1 514.944 4.128 50 0 KIAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572263 553674470 /nfs/dbraw/zinc/67/44/70/553674470.db2.gz TVVHSPVHRUUGGH-WYNJNVBPSA-N 0 1 514.944 4.128 50 0 KIAAMN O=C(CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)NCCOc1cccc(C(F)(F)F)c1 ZINC000020618531 553680887 /nfs/dbraw/zinc/68/08/87/553680887.db2.gz ANUROWHFDNVELV-UHFFFAOYSA-N 0 1 509.428 4.022 50 0 KIAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccc2c(c1)OCO2 ZINC000020644207 553684047 /nfs/dbraw/zinc/68/40/47/553684047.db2.gz KVMRMIZNZRVXPH-UHFFFAOYSA-N 0 1 504.406 4.427 50 0 KIAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCCc1ccc(Cl)cc1 ZINC000020644541 553684727 /nfs/dbraw/zinc/68/47/27/553684727.db2.gz SNYIWHUHHVEPLJ-UHFFFAOYSA-N 0 1 515.079 4.468 50 0 KIAAMN CCN(CCCNC(=O)CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)c1ccccc1 ZINC000020644544 553684601 /nfs/dbraw/zinc/68/46/01/553684601.db2.gz QHRKWTPUEHWFKJ-UHFFFAOYSA-N 0 1 537.730 4.489 50 0 KIAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCCc1ccccc1Cl ZINC000020644546 553684629 /nfs/dbraw/zinc/68/46/29/553684629.db2.gz HOYDZNMJSSTLKL-UHFFFAOYSA-N 0 1 515.079 4.468 50 0 KIAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCCc1c[nH]c2ccccc12 ZINC000020644548 553684768 /nfs/dbraw/zinc/68/47/68/553684768.db2.gz GZEKVODLIAFCOL-UHFFFAOYSA-N 0 1 519.671 4.296 50 0 KIAAMN CC(=O)c1ccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)CC2)cc1 ZINC000020644714 553684976 /nfs/dbraw/zinc/68/49/76/553684976.db2.gz VQLFUVCMISKRGV-UHFFFAOYSA-N 0 1 504.656 4.417 50 0 KIAAMN O=C(CCCc1cn(CN2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCOCC1 ZINC000020648034 553685329 /nfs/dbraw/zinc/68/53/29/553685329.db2.gz KUSSGRBYQSZJPM-UHFFFAOYSA-N 0 1 503.672 4.212 50 0 KIAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2/Oc3ccccc3NC2=O)cc1 ZINC000020731120 553691806 /nfs/dbraw/zinc/69/18/06/553691806.db2.gz MSVDFBPJYOEYHN-NHFJDJAPSA-N 0 1 500.574 4.140 50 0 KIAAMN CCN(CC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000020736381 553693759 /nfs/dbraw/zinc/69/37/59/553693759.db2.gz QMYCIJHJMFTGJP-UHFFFAOYSA-N 0 1 526.058 4.405 50 0 KIAAMN CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020737047 553694317 /nfs/dbraw/zinc/69/43/17/553694317.db2.gz XZHIQGGGFFTFIU-UHFFFAOYSA-N 0 1 508.688 4.216 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(Cl)c2)c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000020860947 553700497 /nfs/dbraw/zinc/70/04/97/553700497.db2.gz OWZVWRKSGWWCGT-UHFFFAOYSA-N 0 1 503.911 4.006 50 0 KIAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2=O)cc1Cl ZINC000020861025 553700464 /nfs/dbraw/zinc/70/04/64/553700464.db2.gz DDHRYZGONCZCEI-UHFFFAOYSA-N 0 1 508.021 4.119 50 0 KIAAMN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)c1 ZINC000020861072 553700449 /nfs/dbraw/zinc/70/04/49/553700449.db2.gz UINLQGQIJGAWRD-UHFFFAOYSA-N 0 1 503.671 4.353 50 0 KIAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000022459654 553742576 /nfs/dbraw/zinc/74/25/76/553742576.db2.gz QDDHNCBFPGLWBA-DEOSSOPVSA-N 0 1 551.428 4.330 50 0 KIAAMN CC(C)(C)C1CCC(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000022914718 553766577 /nfs/dbraw/zinc/76/65/77/553766577.db2.gz LUEAEPVLXHHIOT-BQCMWAFGSA-N 0 1 521.702 4.036 50 0 KIAAMN CC(C)(C)C1CCC(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000022914723 553766525 /nfs/dbraw/zinc/76/65/25/553766525.db2.gz LUEAEPVLXHHIOT-OADZCNSWSA-N 0 1 521.702 4.036 50 0 KIAAMN CCOC(=O)c1sc2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000022920947 553767115 /nfs/dbraw/zinc/76/71/15/553767115.db2.gz LBFJKYLTYIYGPL-UHFFFAOYSA-N 0 1 502.640 4.377 50 0 KIAAMN COCCn1c(=S)n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccncc1 ZINC000022927093 553767542 /nfs/dbraw/zinc/76/75/42/553767542.db2.gz GSFDGDPCWBRBQX-UHFFFAOYSA-N 0 1 500.672 4.487 50 0 KIAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000022972205 553768868 /nfs/dbraw/zinc/76/88/68/553768868.db2.gz GTVCTKSEZAHBGP-DEOSSOPVSA-N 0 1 504.428 4.488 50 0 KIAAMN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccc(F)cc3)cc1CN1CCN(C)CC1)CC2 ZINC000023358473 553774485 /nfs/dbraw/zinc/77/44/85/553774485.db2.gz BFTZPQZOTZPISS-UHFFFAOYSA-N 0 1 533.644 4.221 50 0 KIAAMN O[C@@H](COc1cccc2ccccc21)CN1CCN(C[C@@H](O)CCOc2cccc3ccccc32)CC1 ZINC000023633948 553787300 /nfs/dbraw/zinc/78/73/00/553787300.db2.gz TXXLUYBHTXLIEY-RRPNLBNLSA-N 0 1 500.639 4.180 50 0 KIAAMN O[C@H](CCOc1cccc2ccccc21)CN1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000023633950 553787320 /nfs/dbraw/zinc/78/73/20/553787320.db2.gz TXXLUYBHTXLIEY-KAYWLYCHSA-N 0 1 500.639 4.180 50 0 KIAAMN O[C@@H](CCOc1cccc2ccccc21)CN1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633952 553787335 /nfs/dbraw/zinc/78/73/35/553787335.db2.gz TXXLUYBHTXLIEY-SVBPBHIXSA-N 0 1 500.639 4.180 50 0 KIAAMN O[C@H](CCOc1cccc2ccccc21)CN1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633954 553787235 /nfs/dbraw/zinc/78/72/35/553787235.db2.gz TXXLUYBHTXLIEY-SXOMAYOGSA-N 0 1 500.639 4.180 50 0 KIAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025185231 553806029 /nfs/dbraw/zinc/80/60/29/553806029.db2.gz ODCOVUAGXLFQDX-LXFBAYGMSA-N 0 1 500.530 4.195 50 0 KIAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025185239 553806005 /nfs/dbraw/zinc/80/60/05/553806005.db2.gz ODCOVUAGXLFQDX-QDPGVEIFSA-N 0 1 500.530 4.195 50 0 KIAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5OC)C[C@@H]43)C2=O)cc1 ZINC000025185463 553806020 /nfs/dbraw/zinc/80/60/20/553806020.db2.gz IHVRMAXBNFHSDD-IRPSRAIASA-N 0 1 512.566 4.065 50 0 KIAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5OC)C[C@@H]43)C2=O)cc1 ZINC000025185471 553806094 /nfs/dbraw/zinc/80/60/94/553806094.db2.gz IHVRMAXBNFHSDD-VAVYLYDRSA-N 0 1 512.566 4.065 50 0 KIAAMN COc1ccccc1N1CCN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000025185479 553806050 /nfs/dbraw/zinc/80/60/50/553806050.db2.gz ZTDURFYZCUGMHA-FIPFOOKPSA-N 0 1 500.530 4.195 50 0 KIAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)c1 ZINC000025390855 553807269 /nfs/dbraw/zinc/80/72/69/553807269.db2.gz ACVGQOBBCHMLRO-OAHLLOKOSA-N 0 1 501.944 4.340 50 0 KIAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1cccc(Cl)c1 ZINC000025390862 553807306 /nfs/dbraw/zinc/80/73/06/553807306.db2.gz ACVGQOBBCHMLRO-HNNXBMFYSA-N 0 1 501.944 4.340 50 0 KIAAMN COc1cc(C(=O)C[C@@H]2CCC[C@@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)N2C)cc(OC)c1OC ZINC000025693328 553812549 /nfs/dbraw/zinc/81/25/49/553812549.db2.gz PQRANDWRVLELFR-PMACEKPBSA-N 0 1 515.603 4.437 50 0 KIAAMN COc1cc(C(=O)C[C@H]2CCC[C@@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)N2C)cc(OC)c1OC ZINC000025693332 553812829 /nfs/dbraw/zinc/81/28/29/553812829.db2.gz PQRANDWRVLELFR-BGYRXZFFSA-N 0 1 515.603 4.437 50 0 KIAAMN COc1cc(C(=O)C[C@H]2CCC[C@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)N2C)cc(OC)c1OC ZINC000025693338 553812778 /nfs/dbraw/zinc/81/27/78/553812778.db2.gz PQRANDWRVLELFR-WOJBJXKFSA-N 0 1 515.603 4.437 50 0 KIAAMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccs1 ZINC000025720748 553812990 /nfs/dbraw/zinc/81/29/90/553812990.db2.gz LCWIDQQKQPTCQZ-NRFANRHFSA-N 0 1 504.077 4.181 50 0 KIAAMN CN(C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccs1 ZINC000025720755 553812969 /nfs/dbraw/zinc/81/29/69/553812969.db2.gz LCWIDQQKQPTCQZ-OAQYLSRUSA-N 0 1 504.077 4.181 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000029747717 553848647 /nfs/dbraw/zinc/84/86/47/553848647.db2.gz BHCVMJXTVHYMAC-GDLZYMKVSA-N 0 1 540.664 4.274 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000029747718 553848584 /nfs/dbraw/zinc/84/85/84/553848584.db2.gz BHCVMJXTVHYMAC-LJAQVGFWSA-N 0 1 540.664 4.274 50 0 KIAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000029749009 553850717 /nfs/dbraw/zinc/85/07/17/553850717.db2.gz KUJOIVIWNRGGNW-UJOCQTKCSA-N 0 1 529.637 4.094 50 0 KIAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)CC3)c(C)o2)cc1OC ZINC000029749156 553851097 /nfs/dbraw/zinc/85/10/97/553851097.db2.gz PGADSIZNNHASKL-UHFFFAOYSA-N 0 1 582.145 4.471 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000032675974 553873225 /nfs/dbraw/zinc/87/32/25/553873225.db2.gz PBXKAWPIOANWHP-MDWZMJQESA-N 0 1 517.095 4.308 50 0 KIAAMN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)c([O-])c2)c1 ZINC000032914647 553876426 /nfs/dbraw/zinc/87/64/26/553876426.db2.gz CWILGOLLHITYCF-UHFFFAOYSA-N 0 1 503.599 4.099 50 0 KIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000032983099 553884805 /nfs/dbraw/zinc/88/48/05/553884805.db2.gz DUDKLECLMIOIDX-AREMUKBSSA-N 0 1 507.656 4.477 50 0 KIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000032983100 553884725 /nfs/dbraw/zinc/88/47/25/553884725.db2.gz DUDKLECLMIOIDX-SANMLTNESA-N 0 1 507.656 4.477 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)c2)cc1 ZINC000033025988 553890456 /nfs/dbraw/zinc/89/04/56/553890456.db2.gz WGGJRPYJHGGRQG-HHHXNRCGSA-N 0 1 523.655 4.462 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)c2)cc1 ZINC000033025991 553890434 /nfs/dbraw/zinc/89/04/34/553890434.db2.gz WGGJRPYJHGGRQG-MHZLTWQESA-N 0 1 523.655 4.462 50 0 KIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4O)CC3)ccc2Cl)cc1 ZINC000033028043 553891223 /nfs/dbraw/zinc/89/12/23/553891223.db2.gz KDVUCICHDDJOMY-UHFFFAOYSA-N 0 1 516.019 4.208 50 0 KIAAMN C[NH+](C)[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028914 553891303 /nfs/dbraw/zinc/89/13/03/553891303.db2.gz QQWMKKZFQZKCNF-QFIPXVFZSA-N 0 1 502.434 4.283 50 0 KIAAMN C[NH+](C)[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028916 553891448 /nfs/dbraw/zinc/89/14/48/553891448.db2.gz QQWMKKZFQZKCNF-JOCHJYFZSA-N 0 1 502.434 4.283 50 0 KIAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033209 553892225 /nfs/dbraw/zinc/89/22/25/553892225.db2.gz NUMBUCSOFCSCTB-UHFFFAOYSA-N 0 1 500.709 4.268 50 0 KIAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033328 553892012 /nfs/dbraw/zinc/89/20/12/553892012.db2.gz AQJDOCWBFPIBHC-UHFFFAOYSA-N 0 1 500.709 4.268 50 0 KIAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033355 553892760 /nfs/dbraw/zinc/89/27/60/553892760.db2.gz QTUTXICETPBTLV-UHFFFAOYSA-N 0 1 500.709 4.268 50 0 KIAAMN CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033033437 553892553 /nfs/dbraw/zinc/89/25/53/553892553.db2.gz XDEFJWVMMGNYGK-UHFFFAOYSA-N 0 1 500.709 4.358 50 0 KIAAMN CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033463 553892596 /nfs/dbraw/zinc/89/25/96/553892596.db2.gz XZJKSQXPLDSSMZ-UHFFFAOYSA-N 0 1 500.709 4.214 50 0 KIAAMN CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033549 553892640 /nfs/dbraw/zinc/89/26/40/553892640.db2.gz SZFNBFDHQGVXOI-UHFFFAOYSA-N 0 1 516.708 4.050 50 0 KIAAMN CCC[C@@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1 ZINC000033058930 553904353 /nfs/dbraw/zinc/90/43/53/553904353.db2.gz YSRFMOKDEXWLSW-CTDFXDFQSA-N 0 1 532.682 4.026 50 0 KIAAMN CCC[C@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1 ZINC000033058931 553904409 /nfs/dbraw/zinc/90/44/09/553904409.db2.gz YSRFMOKDEXWLSW-CFGKVWFZSA-N 0 1 532.682 4.026 50 0 KIAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250937 553913610 /nfs/dbraw/zinc/91/36/10/553913610.db2.gz XGYWPHBOKAYEJD-HBRDYDSTSA-N 0 1 528.719 4.034 50 0 KIAAMN CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250938 553913673 /nfs/dbraw/zinc/91/36/73/553913673.db2.gz XGYWPHBOKAYEJD-GTCGAKFVSA-N 0 1 528.719 4.034 50 0 KIAAMN COC(=O)c1c([N-]C(NC(=O)c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)sc2c1CC[N@@H+](C)C2 ZINC000033353749 553926772 /nfs/dbraw/zinc/92/67/72/553926772.db2.gz QABGQUUNPRRJBR-UHFFFAOYSA-N 0 1 525.471 4.194 50 0 KIAAMN COc1ccc2[nH]c(SCC(=O)Nc3cccc(NC(=O)CSc4nc5ccc(OC)cc5[nH]4)n3)nc2c1 ZINC000033353861 553927254 /nfs/dbraw/zinc/92/72/54/553927254.db2.gz DCADXRVWKHPKRM-UHFFFAOYSA-N 0 1 549.638 4.313 50 0 KIAAMN O=C([O-])CCC(=O)OCCN1CC[NH+](CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000033355223 553933727 /nfs/dbraw/zinc/93/37/27/553933727.db2.gz RTXVCIPJNLSCLI-UHFFFAOYSA-N 0 1 551.587 4.250 50 0 biogenic KIAAMN Cc1ccc(-n2nc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000033356345 553940659 /nfs/dbraw/zinc/94/06/59/553940659.db2.gz DCUUVHJOVGKSBG-UHFFFAOYSA-N 0 1 552.654 4.267 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccccc1C(F)(F)F ZINC000033356652 553943408 /nfs/dbraw/zinc/94/34/08/553943408.db2.gz KZIOBODIKRVBIX-UHFFFAOYSA-N 0 1 548.362 4.115 50 0 KIAAMN COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356839 553944847 /nfs/dbraw/zinc/94/48/47/553944847.db2.gz IOYRLJFIRXMMLC-FIRIVFDPSA-N 0 1 572.681 4.008 50 0 KIAAMN COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356841 553944795 /nfs/dbraw/zinc/94/47/95/553944795.db2.gz IOYRLJFIRXMMLC-IOWSJCHKSA-N 0 1 572.681 4.008 50 0 KIAAMN COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356844 553944803 /nfs/dbraw/zinc/94/48/03/553944803.db2.gz IOYRLJFIRXMMLC-JSOSNVBQSA-N 0 1 572.681 4.008 50 0 KIAAMN COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356846 553945077 /nfs/dbraw/zinc/94/50/77/553945077.db2.gz IOYRLJFIRXMMLC-CONSDPRKSA-N 0 1 572.681 4.008 50 0 KIAAMN CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CCN(C)CC3)C2=S)c1 ZINC000033357395 553947993 /nfs/dbraw/zinc/94/79/93/553947993.db2.gz LPJZGFWJFMBAMB-HSZRJFAPSA-N 0 1 590.613 4.139 50 0 KIAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CCN(C)CC3)C2=S)c1 ZINC000033357397 553948065 /nfs/dbraw/zinc/94/80/65/553948065.db2.gz LPJZGFWJFMBAMB-QHCPKHFHSA-N 0 1 590.613 4.139 50 0 KIAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)C(C)C)cc1OC ZINC000033733173 553971049 /nfs/dbraw/zinc/97/10/49/553971049.db2.gz PORIHLQGZKTRHP-UHFFFAOYSA-N 0 1 513.679 4.147 50 0 KIAAMN NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000033778263 553973169 /nfs/dbraw/zinc/97/31/69/553973169.db2.gz OBVONTDOOZPQNO-ZHZULCJRSA-N 0 1 503.561 4.419 50 0 KIAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)NC(C)(C)C)cc1OC ZINC000033827274 553974707 /nfs/dbraw/zinc/97/47/07/553974707.db2.gz ZAUYRUPJKWEYDE-UHFFFAOYSA-N 0 1 542.721 4.473 50 0 KIAAMN COc1cc(CN2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc(OC)c1 ZINC000034681701 553985025 /nfs/dbraw/zinc/98/50/25/553985025.db2.gz HPVRMRQVGQTXHV-UHFFFAOYSA-N 0 1 511.022 4.482 50 0 KIAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c(OC)c1 ZINC000034681709 553985094 /nfs/dbraw/zinc/98/50/94/553985094.db2.gz JCOTXYGWAIDWSR-UHFFFAOYSA-N 0 1 511.022 4.482 50 0 KIAAMN COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(OC)c(OC)c4OC)CC3)nc2)c1 ZINC000034681807 553984980 /nfs/dbraw/zinc/98/49/80/553984980.db2.gz HQZJLYDJRDIDJJ-UHFFFAOYSA-N 0 1 506.603 4.081 50 0 KIAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)c(OC)c1OC ZINC000034681937 553985660 /nfs/dbraw/zinc/98/56/60/553985660.db2.gz HOOBLUNBEXJDRF-UHFFFAOYSA-N 0 1 512.557 4.350 50 0 KIAAMN COc1ccc(NC(=O)Nc2ccc(N3CCCN(Cc4ccc(OC)c(OC)c4OC)CC3)nc2)cc1 ZINC000034682121 553985523 /nfs/dbraw/zinc/98/55/23/553985523.db2.gz MWCZJNOINJLIKS-UHFFFAOYSA-N 0 1 521.618 4.472 50 0 KIAAMN COc1cc(CN2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)cc(OC)c1 ZINC000034682131 553985607 /nfs/dbraw/zinc/98/56/07/553985607.db2.gz JYFIXIZJSOVYFL-UHFFFAOYSA-N 0 1 521.618 4.472 50 0 KIAAMN COc1cc(NC(=O)Nc2ccc(N3CCCN(Cc4cccc(OC)c4OC)CC3)nc2)cc(OC)c1 ZINC000034682133 553985533 /nfs/dbraw/zinc/98/55/33/553985533.db2.gz OSNGJFSCWUUMDQ-UHFFFAOYSA-N 0 1 521.618 4.472 50 0 KIAAMN COc1ccc(OC)c(CN2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)c1 ZINC000034682134 553985496 /nfs/dbraw/zinc/98/54/96/553985496.db2.gz GOWTYUGYYUEWBF-UHFFFAOYSA-N 0 1 521.618 4.472 50 0 KIAAMN O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684543 553986628 /nfs/dbraw/zinc/98/66/28/553986628.db2.gz AOAWVJRVIJIDPM-UHFFFAOYSA-N 0 1 510.594 4.241 50 0 KIAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708056 553993980 /nfs/dbraw/zinc/99/39/80/553993980.db2.gz SGQXGGLVNXMXJF-NDEPHWFRSA-N 0 1 524.614 4.256 50 0 KIAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708057 553993937 /nfs/dbraw/zinc/99/39/37/553993937.db2.gz SGQXGGLVNXMXJF-MUUNZHRXSA-N 0 1 524.614 4.256 50 0 KIAAMN O=C(NCc1ccccc1)[C@@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1ccccc1F ZINC000034708264 553994496 /nfs/dbraw/zinc/99/44/96/553994496.db2.gz JOXOQNAVSAONLI-NEKDWFFYSA-N 0 1 506.574 4.299 50 0 KIAAMN O=C(NCc1ccccc1)[C@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1ccccc1F ZINC000034708265 553994608 /nfs/dbraw/zinc/99/46/08/553994608.db2.gz JOXOQNAVSAONLI-FIPFOOKPSA-N 0 1 506.574 4.299 50 0 KIAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000034724729 553996432 /nfs/dbraw/zinc/99/64/32/553996432.db2.gz YJXQVDVPBFEDLJ-UHFFFAOYSA-N 0 1 504.675 4.266 50 0 KIAAMN COCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000034725935 553996790 /nfs/dbraw/zinc/99/67/90/553996790.db2.gz RMFWNKMFBUQZHI-UHFFFAOYSA-N 0 1 504.597 4.193 50 0 KIAAMN COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)c1 ZINC000034729639 553997339 /nfs/dbraw/zinc/99/73/39/553997339.db2.gz UBIVJGPSVUIELC-UHFFFAOYSA-N 0 1 520.674 4.127 50 0 KIAAMN COc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)c1 ZINC000034729650 553997388 /nfs/dbraw/zinc/99/73/88/553997388.db2.gz QGFDQVIIVPSNFY-UHFFFAOYSA-N 0 1 504.675 4.048 50 0 KIAAMN O=C(CCc1nnc(-c2ccc(OCc3ccccc3F)cc2)[n-]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034762993 554002278 /nfs/dbraw/zinc/00/22/78/554002278.db2.gz FTRHAFWVCKXRSG-UHFFFAOYSA-N 0 1 527.600 4.239 50 0 KIAAMN O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034763107 554002448 /nfs/dbraw/zinc/00/24/48/554002448.db2.gz BPJFZWXJYRQGAC-UHFFFAOYSA-N 0 1 527.600 4.239 50 0 KIAAMN Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(Cl)cc2Cl)CC3)CC1 ZINC000034809695 554009504 /nfs/dbraw/zinc/00/95/04/554009504.db2.gz IKRSFWXRKLZZNX-UHFFFAOYSA-N 0 1 512.441 4.115 50 0 KIAAMN O=C1NC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)Nc2ccc(I)cc21 ZINC000034812265 554010852 /nfs/dbraw/zinc/01/08/52/554010852.db2.gz PDPCRMPPSAGAEH-UHFFFAOYSA-N 0 1 501.290 4.458 50 0 KIAAMN CCN1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829567 554012198 /nfs/dbraw/zinc/01/21/98/554012198.db2.gz UQIOQIJLQOLAKR-UHFFFAOYSA-N 0 1 509.720 4.478 50 0 KIAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830330 554015169 /nfs/dbraw/zinc/01/51/69/554015169.db2.gz GULQGEAZBYHNJZ-RBISFHTESA-N 0 1 503.668 4.142 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830331 554015254 /nfs/dbraw/zinc/01/52/54/554015254.db2.gz GULQGEAZBYHNJZ-DWACAAAGSA-N 0 1 503.668 4.142 50 0 KIAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830350 554015337 /nfs/dbraw/zinc/01/53/37/554015337.db2.gz MQQKNYPCXMMLED-CCLHPLFOSA-N 0 1 517.651 4.106 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830351 554015418 /nfs/dbraw/zinc/01/54/18/554015418.db2.gz MQQKNYPCXMMLED-DCFHFQCYSA-N 0 1 517.651 4.106 50 0 KIAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830352 554015314 /nfs/dbraw/zinc/01/53/14/554015314.db2.gz GFPNVRUITGINDD-RBTNQOKQSA-N 0 1 505.659 4.445 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830353 554015175 /nfs/dbraw/zinc/01/51/75/554015175.db2.gz GFPNVRUITGINDD-KMRXNPHXSA-N 0 1 505.659 4.445 50 0 KIAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830424 554015636 /nfs/dbraw/zinc/01/56/36/554015636.db2.gz JHIRAXCFJFOOGW-RBTNQOKQSA-N 0 1 531.678 4.496 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830425 554015678 /nfs/dbraw/zinc/01/56/78/554015678.db2.gz JHIRAXCFJFOOGW-KMRXNPHXSA-N 0 1 531.678 4.496 50 0 KIAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830498 554016131 /nfs/dbraw/zinc/01/61/31/554016131.db2.gz JJGOCLSEEDAIBQ-LJAQVGFWSA-N 0 1 521.658 4.112 50 0 KIAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830499 554015996 /nfs/dbraw/zinc/01/59/96/554015996.db2.gz JJGOCLSEEDAIBQ-GDLZYMKVSA-N 0 1 521.658 4.112 50 0 KIAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830619 554016470 /nfs/dbraw/zinc/01/64/70/554016470.db2.gz IFHWSOGJJCARTE-WXVAWEFUSA-N 0 1 523.724 4.316 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830620 554016662 /nfs/dbraw/zinc/01/66/62/554016662.db2.gz IFHWSOGJJCARTE-CUNXSJBXSA-N 0 1 523.724 4.316 50 0 KIAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830631 554016541 /nfs/dbraw/zinc/01/65/41/554016541.db2.gz WLWFIFVPRGEBMO-HRFSGMKKSA-N 0 1 527.687 4.146 50 0 KIAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830632 554016525 /nfs/dbraw/zinc/01/65/25/554016525.db2.gz WLWFIFVPRGEBMO-DCFHFQCYSA-N 0 1 527.687 4.146 50 0 KIAAMN CCN1CCN(c2c(CN(C(=O)Cc3ccc(OC)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831303 554017025 /nfs/dbraw/zinc/01/70/25/554017025.db2.gz SSCUKXJZRYPSAV-UHFFFAOYSA-N 0 1 507.654 4.450 50 0 KIAAMN CCN1CCN(c2c(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831309 554017045 /nfs/dbraw/zinc/01/70/45/554017045.db2.gz JRDKDMYFQWFERD-UHFFFAOYSA-N 0 1 507.610 4.241 50 0 KIAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831340 554016936 /nfs/dbraw/zinc/01/69/36/554016936.db2.gz QAOGTLWCCCMFHT-UHFFFAOYSA-N 0 1 521.637 4.489 50 0 KIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034831378 554016899 /nfs/dbraw/zinc/01/68/99/554016899.db2.gz YATBPXGCPAKLJK-UHFFFAOYSA-N 0 1 502.084 4.187 50 0 KIAAMN CCN1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831385 554017233 /nfs/dbraw/zinc/01/72/33/554017233.db2.gz FMRAZPFNUMATDF-UHFFFAOYSA-N 0 1 531.673 4.448 50 0 KIAAMN CCN1CCN(c2c(CN(CCOC)C(=O)c3ccc(Cl)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831832 554017229 /nfs/dbraw/zinc/01/72/29/554017229.db2.gz VOMYDNWWZZSUNL-UHFFFAOYSA-N 0 1 514.045 4.404 50 0 KIAAMN CCN1CCN(c2c(CN(CCOC)C(=O)CCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831843 554017256 /nfs/dbraw/zinc/01/72/56/554017256.db2.gz WAGVRDZSLCTOIP-UHFFFAOYSA-N 0 1 507.654 4.070 50 0 KIAAMN CCc1ccc(C(=O)N(CCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)cc1 ZINC000034831853 554017341 /nfs/dbraw/zinc/01/73/41/554017341.db2.gz QIKRHTFWLTVBPQ-UHFFFAOYSA-N 0 1 507.654 4.313 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CCc1ccccc1 ZINC000034834554 554018891 /nfs/dbraw/zinc/01/88/91/554018891.db2.gz WUMOWZFGRGNRLC-UHFFFAOYSA-N 0 1 507.654 4.070 50 0 KIAAMN CCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C)CC2)cc1 ZINC000034834585 554018789 /nfs/dbraw/zinc/01/87/89/554018789.db2.gz ASODUJDUFOSMEX-UHFFFAOYSA-N 0 1 507.654 4.313 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CSc1ccccc1 ZINC000034834598 554018731 /nfs/dbraw/zinc/01/87/31/554018731.db2.gz LDIOJIDQSQFMHR-UHFFFAOYSA-N 0 1 525.694 4.229 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034834599 554018749 /nfs/dbraw/zinc/01/87/49/554018749.db2.gz HXRDROPBIBVCOZ-RRPNLBNLSA-N 0 1 519.665 4.240 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034834601 554018900 /nfs/dbraw/zinc/01/89/00/554018900.db2.gz HXRDROPBIBVCOZ-SVBPBHIXSA-N 0 1 519.665 4.240 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)Nc1ccccc1C ZINC000034834816 554019350 /nfs/dbraw/zinc/01/93/50/554019350.db2.gz GTMRQIWZNDLTBR-UHFFFAOYSA-N 0 1 508.642 4.451 50 0 KIAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1ccc(OC)cc1 ZINC000034834835 554019179 /nfs/dbraw/zinc/01/91/79/554019179.db2.gz MWDHVOIPGBNVAC-UHFFFAOYSA-N 0 1 506.651 4.012 50 0 KIAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834837 554019244 /nfs/dbraw/zinc/01/92/44/554019244.db2.gz DRVCRFYJUIDYRQ-UHFFFAOYSA-N 0 1 516.111 4.433 50 0 KIAAMN COc1ccc(S(=O)(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)cc1 ZINC000034834878 554019193 /nfs/dbraw/zinc/01/91/93/554019193.db2.gz ZCWWHGSNYXIIFA-UHFFFAOYSA-N 0 1 525.719 4.178 50 0 KIAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3cc(OC)cc(OC)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835170 554019611 /nfs/dbraw/zinc/01/96/11/554019611.db2.gz XSEIGHGRJAJFTB-UHFFFAOYSA-N 0 1 535.689 4.019 50 0 KIAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835186 554019533 /nfs/dbraw/zinc/01/95/33/554019533.db2.gz QGSHKGXTODCORA-UHFFFAOYSA-N 0 1 507.654 4.070 50 0 KIAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)[C@@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835217 554019626 /nfs/dbraw/zinc/01/96/26/554019626.db2.gz GCIGAKBKIOYMOV-WUFINQPMSA-N 0 1 515.702 4.491 50 0 KIAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)[C@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835221 554019658 /nfs/dbraw/zinc/01/96/58/554019658.db2.gz GCIGAKBKIOYMOV-NSOVKSMOSA-N 0 1 515.702 4.491 50 0 KIAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000034835273 554019595 /nfs/dbraw/zinc/01/95/95/554019595.db2.gz HUZUIZCAOWTIIA-JOCHJYFZSA-N 0 1 525.719 4.321 50 0 KIAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000034835276 554019648 /nfs/dbraw/zinc/01/96/48/554019648.db2.gz HUZUIZCAOWTIIA-QFIPXVFZSA-N 0 1 525.719 4.321 50 0 KIAAMN CCOC(=O)CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C ZINC000034835366 554019633 /nfs/dbraw/zinc/01/96/33/554019633.db2.gz QLRCOJLBZAAZBB-UHFFFAOYSA-N 0 1 529.701 4.432 50 0 KIAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)CCC(=O)OCC ZINC000034835464 554020062 /nfs/dbraw/zinc/02/00/62/554020062.db2.gz NXYPZPQSCGZLBU-UHFFFAOYSA-N 0 1 515.674 4.186 50 0 KIAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)COCc1ccccc1 ZINC000034835550 554019895 /nfs/dbraw/zinc/01/98/95/554019895.db2.gz WLFVHGFCFQUIOU-UHFFFAOYSA-N 0 1 507.654 4.417 50 0 KIAAMN CCN1CCN(c2c(CN(C(=O)COCc3ccccc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835651 554020052 /nfs/dbraw/zinc/02/00/52/554020052.db2.gz JGYCDABCAJYTRT-UHFFFAOYSA-N 0 1 505.638 4.170 50 0 KIAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)S(=O)(=O)Cc1ccccc1 ZINC000034835914 554020561 /nfs/dbraw/zinc/02/05/61/554020561.db2.gz CCXDXHFCFHFABD-UHFFFAOYSA-N 0 1 513.683 4.204 50 0 KIAAMN CCN1CCN(c2c(CN(CCOC)Cc3ccc(F)c(F)c3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836448 554020411 /nfs/dbraw/zinc/02/04/11/554020411.db2.gz LWBOCMWURTXDRH-UHFFFAOYSA-N 0 1 501.597 4.389 50 0 KIAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccco2)cc1OC ZINC000034859668 554021755 /nfs/dbraw/zinc/02/17/55/554021755.db2.gz HXAQZHUVJMUGGR-UHFFFAOYSA-N 0 1 537.657 4.398 50 0 KIAAMN CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928279 554032905 /nfs/dbraw/zinc/03/29/05/554032905.db2.gz LGOXEFXNQSXFHG-VSGBNLITSA-N 0 1 535.685 4.490 50 0 KIAAMN CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928280 554032939 /nfs/dbraw/zinc/03/29/39/554032939.db2.gz LGOXEFXNQSXFHG-IZLXSDGUSA-N 0 1 535.685 4.490 50 0 KIAAMN CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928281 554032986 /nfs/dbraw/zinc/03/29/86/554032986.db2.gz LGOXEFXNQSXFHG-WUFINQPMSA-N 0 1 535.685 4.490 50 0 KIAAMN CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928282 554032978 /nfs/dbraw/zinc/03/29/78/554032978.db2.gz LGOXEFXNQSXFHG-NSOVKSMOSA-N 0 1 535.685 4.490 50 0 KIAAMN COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035363850 554044702 /nfs/dbraw/zinc/04/47/02/554044702.db2.gz HUWYWGOVTDZYLP-JMBFNUQRSA-N 0 1 513.981 4.363 50 0 biogenic KIAAMN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000035375664 554045379 /nfs/dbraw/zinc/04/53/79/554045379.db2.gz XYEKHEWXWXZAHZ-XADOIVSYSA-N 0 1 507.974 4.070 50 0 KIAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035396311 554047321 /nfs/dbraw/zinc/04/73/21/554047321.db2.gz HWDPFJYBEWFTIK-FDGPYGQJSA-N 0 1 503.908 4.204 50 0 KIAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397199 554047911 /nfs/dbraw/zinc/04/79/11/554047911.db2.gz FIHCJIJADRZPQF-UHFFFAOYSA-N 0 1 501.450 4.453 50 0 KIAAMN COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397200 554047847 /nfs/dbraw/zinc/04/78/47/554047847.db2.gz LVXFJWLVIKNKCT-UHFFFAOYSA-N 0 1 501.450 4.453 50 0 KIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)=N2 ZINC000035397201 554047729 /nfs/dbraw/zinc/04/77/29/554047729.db2.gz KEUGZCPAHXQVIE-UHFFFAOYSA-N 0 1 515.433 4.173 50 0 KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806807 554075728 /nfs/dbraw/zinc/07/57/28/554075728.db2.gz GPMILASLXAYRTN-LLXHICIGSA-N 0 1 507.590 4.408 50 0 KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807160 554076094 /nfs/dbraw/zinc/07/60/94/554076094.db2.gz TXAPGBAUFDPOSG-APPQYHDTSA-N 0 1 507.590 4.408 50 0 KIAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)c2ccco2)cc1OC ZINC000035809001 554077554 /nfs/dbraw/zinc/07/75/54/554077554.db2.gz XPCDFXNNCSEDSL-UHFFFAOYSA-N 0 1 523.630 4.008 50 0 KIAAMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000035829433 554079570 /nfs/dbraw/zinc/07/95/70/554079570.db2.gz UAVOJWFQJBWAHH-ODLFYWEKSA-N 0 1 501.421 4.160 50 0 KIAAMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035829515 554079661 /nfs/dbraw/zinc/07/96/61/554079661.db2.gz CBJYLKWQMBKUME-ODLFYWEKSA-N 0 1 501.421 4.160 50 0 KIAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843294 554082155 /nfs/dbraw/zinc/08/21/55/554082155.db2.gz MOVHWHGVJBESTF-SYSFZUQMSA-N 0 1 503.908 4.407 50 0 KIAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851712 554083621 /nfs/dbraw/zinc/08/36/21/554083621.db2.gz BGHVDJNBCWPPKQ-BKJGLDIHSA-N 0 1 503.908 4.407 50 0 KIAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872076 554086475 /nfs/dbraw/zinc/08/64/75/554086475.db2.gz ZBCQQZFUUBIYLQ-XRKRLSELSA-N 0 1 503.618 4.065 50 0 KIAAMN COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872077 554086515 /nfs/dbraw/zinc/08/65/15/554086515.db2.gz ZBCQQZFUUBIYLQ-LMSSTIIKSA-N 0 1 503.618 4.065 50 0 KIAAMN CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O ZINC000035877172 554087855 /nfs/dbraw/zinc/08/78/55/554087855.db2.gz MJRMUZWTEQGRHA-SANMLTNESA-N 0 1 502.659 4.023 50 0 KIAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894114 554091801 /nfs/dbraw/zinc/09/18/01/554091801.db2.gz NWVAOZRFCFUSLD-XNMGPUDCSA-N 0 1 503.618 4.065 50 0 KIAAMN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894116 554091836 /nfs/dbraw/zinc/09/18/36/554091836.db2.gz NWVAOZRFCFUSLD-AHKZPQOWSA-N 0 1 503.618 4.065 50 0 KIAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CCOc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929935 554101712 /nfs/dbraw/zinc/10/17/12/554101712.db2.gz QYNRFVWIYJNKJJ-UHFFFAOYSA-N 0 1 523.616 4.464 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCSC)N[C@]32c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000035955842 554107893 /nfs/dbraw/zinc/10/78/93/554107893.db2.gz QXDXCFYVNWKEGW-YKEGNUIGSA-N 0 1 545.636 4.107 50 0 KIAAMN CC[NH+]1CCN(C2=C(c3c(-c4ccccc4)[n-]n(-c4ccccc4)c3=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000035960736 554108796 /nfs/dbraw/zinc/10/87/96/554108796.db2.gz BOIKJXLYSREANA-UHFFFAOYSA-N 0 1 525.653 4.295 50 0 KIAAMN CC(C)c1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035960890 554108810 /nfs/dbraw/zinc/10/88/10/554108810.db2.gz XSKLNEKSQXHTKH-UHFFFAOYSA-N 0 1 523.996 4.026 50 0 KIAAMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)nc2N2CCN(Cc3ccccc3)CC2)C1 ZINC000035988872 554122432 /nfs/dbraw/zinc/12/24/32/554122432.db2.gz FXJFUMPPIZZOBL-AREMUKBSSA-N 0 1 527.669 4.190 50 0 KIAAMN CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)nc2N2CCN(Cc3ccccc3)CC2)C1 ZINC000035988873 554122508 /nfs/dbraw/zinc/12/25/08/554122508.db2.gz FXJFUMPPIZZOBL-SANMLTNESA-N 0 1 527.669 4.190 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991226 554124029 /nfs/dbraw/zinc/12/40/29/554124029.db2.gz GTKRQNBSMNJUDI-XMMPIXPASA-N 0 1 517.457 4.325 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991227 554124026 /nfs/dbraw/zinc/12/40/26/554124026.db2.gz GTKRQNBSMNJUDI-DEOSSOPVSA-N 0 1 517.457 4.325 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991394 554124162 /nfs/dbraw/zinc/12/41/62/554124162.db2.gz XCQJROWERALYQN-XMMPIXPASA-N 0 1 517.457 4.325 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991395 554124068 /nfs/dbraw/zinc/12/40/68/554124068.db2.gz XCQJROWERALYQN-DEOSSOPVSA-N 0 1 517.457 4.325 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991474 554124155 /nfs/dbraw/zinc/12/41/55/554124155.db2.gz IXKLRRVDAFFQPB-VWLOTQADSA-N 0 1 530.591 4.427 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991475 554124049 /nfs/dbraw/zinc/12/40/49/554124049.db2.gz IXKLRRVDAFFQPB-RUZDIDTESA-N 0 1 530.591 4.427 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991490 554124175 /nfs/dbraw/zinc/12/41/75/554124175.db2.gz XHPCKVREXHOTCH-XMMPIXPASA-N 0 1 516.564 4.037 50 0 KIAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991491 554124124 /nfs/dbraw/zinc/12/41/24/554124124.db2.gz XHPCKVREXHOTCH-DEOSSOPVSA-N 0 1 516.564 4.037 50 0 KIAAMN O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2ccc(F)cc2)nc1N1CCN(Cc2ccccc2)CC1 ZINC000036003175 554129385 /nfs/dbraw/zinc/12/93/85/554129385.db2.gz NBRGGXUMWQMIHZ-UHFFFAOYSA-N 0 1 525.584 4.264 50 0 KIAAMN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1Cl ZINC000036027571 554141081 /nfs/dbraw/zinc/14/10/81/554141081.db2.gz BENFVRBWAXDCKB-UHFFFAOYSA-N 0 1 519.045 4.387 50 0 KIAAMN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000036027578 554141149 /nfs/dbraw/zinc/14/11/49/554141149.db2.gz UPBBMAZWHNDSAA-UHFFFAOYSA-N 0 1 519.045 4.387 50 0 KIAAMN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(C)c4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000036027584 554141207 /nfs/dbraw/zinc/14/12/07/554141207.db2.gz FSTSWKAJNIWVNW-UHFFFAOYSA-N 0 1 528.653 4.051 50 0 KIAAMN Cc1cccc(CN2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036027590 554141063 /nfs/dbraw/zinc/14/10/63/554141063.db2.gz AGLXVELEARFVJP-UHFFFAOYSA-N 0 1 516.617 4.181 50 0 KIAAMN COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(C)c4)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000036027593 554141115 /nfs/dbraw/zinc/14/11/15/554141115.db2.gz OBVVBOQVFLFSPL-UHFFFAOYSA-N 0 1 528.653 4.051 50 0 KIAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCCc4ccccn4)o3)n2)CC1 ZINC000036029921 554142082 /nfs/dbraw/zinc/14/20/82/554142082.db2.gz FXJGTIOVAHFSKC-UHFFFAOYSA-N 0 1 508.692 4.169 50 0 KIAAMN CCc1cc(N2CCN(CC)CC2)nc(SCc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)n1 ZINC000036038484 554146453 /nfs/dbraw/zinc/14/64/53/554146453.db2.gz KVVTZCSHEWMORE-UHFFFAOYSA-N 0 1 519.671 4.132 50 0 KIAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 ZINC000036040907 554150400 /nfs/dbraw/zinc/15/04/00/554150400.db2.gz MBUSYUSBWKGSKT-UHFFFAOYSA-N 0 1 507.660 4.067 50 0 KIAAMN CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4ccncc4)cc3)n2)CC1 ZINC000036045156 554153219 /nfs/dbraw/zinc/15/32/19/554153219.db2.gz PNVBDBYSSJOORQ-UHFFFAOYSA-N 0 1 516.593 4.255 50 0 KIAAMN CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4cccnc4)cc3)n2)CC1 ZINC000036045161 554153533 /nfs/dbraw/zinc/15/35/33/554153533.db2.gz YECZEUVRNBTVGL-UHFFFAOYSA-N 0 1 516.593 4.255 50 0 KIAAMN CCN1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000036049747 554156253 /nfs/dbraw/zinc/15/62/53/554156253.db2.gz MTZFHLWWEKSQOR-UHFFFAOYSA-N 0 1 504.704 4.402 50 0 KIAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000036053906 554159101 /nfs/dbraw/zinc/15/91/01/554159101.db2.gz KROXWYMWXMHGSC-UHFFFAOYSA-N 0 1 503.672 4.130 50 0 KIAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036053907 554159066 /nfs/dbraw/zinc/15/90/66/554159066.db2.gz CVAXDCSSTUIFSB-UHFFFAOYSA-N 0 1 517.699 4.377 50 0 KIAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036061602 554161750 /nfs/dbraw/zinc/16/17/50/554161750.db2.gz DFWDIGNIYMZZEG-UHFFFAOYSA-N 0 1 517.699 4.474 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000036080284 554174510 /nfs/dbraw/zinc/17/45/10/554174510.db2.gz NAHPWHYLRYWBOX-JIPXPUAJSA-N 0 1 506.647 4.164 50 0 KIAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080286 554174488 /nfs/dbraw/zinc/17/44/88/554174488.db2.gz NAHPWHYLRYWBOX-ZBLYBZFDSA-N 0 1 506.647 4.164 50 0 KIAAMN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CCN1CCCC1)C(=O)c1ccccc1 ZINC000036117535 554185358 /nfs/dbraw/zinc/18/53/58/554185358.db2.gz ARFQEZHJAUWUQI-RUZDIDTESA-N 0 1 533.694 4.500 50 0 KIAAMN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CCN1CCCC1)C(=O)c1ccccc1 ZINC000036117536 554185368 /nfs/dbraw/zinc/18/53/68/554185368.db2.gz ARFQEZHJAUWUQI-VWLOTQADSA-N 0 1 533.694 4.500 50 0 KIAAMN COc1cccc(CN(C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147013 554198160 /nfs/dbraw/zinc/19/81/60/554198160.db2.gz WUEXAOZTKFVTOH-NOZRDPDXSA-N 0 1 504.583 4.167 50 0 KIAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147016 554198058 /nfs/dbraw/zinc/19/80/58/554198058.db2.gz WUEXAOZTKFVTOH-ZCYQVOJMSA-N 0 1 504.583 4.167 50 0 KIAAMN CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205994 554201648 /nfs/dbraw/zinc/20/16/48/554201648.db2.gz IWMSVNCGAIVYBJ-LJQANCHMSA-N 0 1 501.649 4.201 50 0 KIAAMN CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205997 554201636 /nfs/dbraw/zinc/20/16/36/554201636.db2.gz IWMSVNCGAIVYBJ-IBGZPJMESA-N 0 1 501.649 4.201 50 0 KIAAMN Cc1ccccc1OC[C@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249730 554210133 /nfs/dbraw/zinc/21/01/33/554210133.db2.gz SGHNNCNGZSIGKR-RPBOFIJWSA-N 0 1 525.621 4.047 50 0 KIAAMN Cc1ccccc1OC[C@@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249731 554210138 /nfs/dbraw/zinc/21/01/38/554210138.db2.gz SGHNNCNGZSIGKR-DQEYMECFSA-N 0 1 525.621 4.047 50 0 KIAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)CN1CCOCC1 ZINC000036304001 554213994 /nfs/dbraw/zinc/21/39/94/554213994.db2.gz UXGRUENYJGTGSG-XMMPIXPASA-N 0 1 514.617 4.402 50 0 KIAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036304003 554213786 /nfs/dbraw/zinc/21/37/86/554213786.db2.gz UXGRUENYJGTGSG-DEOSSOPVSA-N 0 1 514.617 4.402 50 0 KIAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036304294 554214508 /nfs/dbraw/zinc/21/45/08/554214508.db2.gz LHXKMYPVPLCTIM-XMMPIXPASA-N 0 1 512.601 4.156 50 0 KIAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036304297 554214401 /nfs/dbraw/zinc/21/44/01/554214401.db2.gz LHXKMYPVPLCTIM-DEOSSOPVSA-N 0 1 512.601 4.156 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036309301 554216584 /nfs/dbraw/zinc/21/65/84/554216584.db2.gz POQNMWMWIPHREA-OFVILXPXSA-N 0 1 504.693 4.007 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036309302 554217173 /nfs/dbraw/zinc/21/71/73/554217173.db2.gz POQNMWMWIPHREA-BWKNWUBXSA-N 0 1 504.693 4.007 50 0 KIAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309755 554217700 /nfs/dbraw/zinc/21/77/00/554217700.db2.gz GKBQNCWOXQEVFM-OFVILXPXSA-N 0 1 516.635 4.273 50 0 KIAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309757 554217552 /nfs/dbraw/zinc/21/75/52/554217552.db2.gz GKBQNCWOXQEVFM-BWKNWUBXSA-N 0 1 516.635 4.273 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309797 554217756 /nfs/dbraw/zinc/21/77/56/554217756.db2.gz HLXWXFBESWLDCV-OFVILXPXSA-N 0 1 516.635 4.275 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309799 554217680 /nfs/dbraw/zinc/21/76/80/554217680.db2.gz HLXWXFBESWLDCV-BWKNWUBXSA-N 0 1 516.635 4.275 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036309928 554217806 /nfs/dbraw/zinc/21/78/06/554217806.db2.gz RJFMPNNVDBXCAH-AHWVRZQESA-N 0 1 508.684 4.461 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309931 554217692 /nfs/dbraw/zinc/21/76/92/554217692.db2.gz RJFMPNNVDBXCAH-RSXGOPAZSA-N 0 1 508.684 4.461 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036309987 554217565 /nfs/dbraw/zinc/21/75/65/554217565.db2.gz LXOJYNQVJHHLPT-ZCYQVOJMSA-N 0 1 524.683 4.161 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000036309989 554218059 /nfs/dbraw/zinc/21/80/59/554218059.db2.gz LXOJYNQVJHHLPT-NOZRDPDXSA-N 0 1 524.683 4.161 50 0 KIAAMN Cc1ccccc1OC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313400 554218771 /nfs/dbraw/zinc/21/87/71/554218771.db2.gz IFXSNTKCMZRWRX-PKTZIBPZSA-N 0 1 525.621 4.047 50 0 KIAAMN Cc1ccccc1OC[C@@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313401 554218931 /nfs/dbraw/zinc/21/89/31/554218931.db2.gz IFXSNTKCMZRWRX-GOTSBHOMSA-N 0 1 525.621 4.047 50 0 KIAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)COC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036316586 554219649 /nfs/dbraw/zinc/21/96/49/554219649.db2.gz HIMYPJSEHPVYQQ-SANMLTNESA-N 0 1 504.675 4.097 50 0 KIAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036316587 554219492 /nfs/dbraw/zinc/21/94/92/554219492.db2.gz HIMYPJSEHPVYQQ-AREMUKBSSA-N 0 1 504.675 4.097 50 0 KIAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)COCC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340038 554219860 /nfs/dbraw/zinc/21/98/60/554219860.db2.gz IBEAHVOXLIFMKR-MHZLTWQESA-N 0 1 518.702 4.345 50 0 KIAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)COCC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340040 554219949 /nfs/dbraw/zinc/21/99/49/554219949.db2.gz IBEAHVOXLIFMKR-HHHXNRCGSA-N 0 1 518.702 4.345 50 0 KIAAMN CCCCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340073 554219890 /nfs/dbraw/zinc/21/98/90/554219890.db2.gz CWAHKPOUKYFPDP-HHHXNRCGSA-N 0 1 518.702 4.489 50 0 KIAAMN CCCCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340075 554219800 /nfs/dbraw/zinc/21/98/00/554219800.db2.gz CWAHKPOUKYFPDP-MHZLTWQESA-N 0 1 518.702 4.489 50 0 KIAAMN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341980 554221112 /nfs/dbraw/zinc/22/11/12/554221112.db2.gz KDNNTZMKHLCQOE-RUZDIDTESA-N 0 1 508.663 4.133 50 0 KIAAMN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341981 554221301 /nfs/dbraw/zinc/22/13/01/554221301.db2.gz KDNNTZMKHLCQOE-VWLOTQADSA-N 0 1 508.663 4.133 50 0 KIAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341994 554221207 /nfs/dbraw/zinc/22/12/07/554221207.db2.gz ACXDRPGALHLUCP-RCZVLFRGSA-N 0 1 508.663 4.275 50 0 KIAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341995 554221188 /nfs/dbraw/zinc/22/11/88/554221188.db2.gz ACXDRPGALHLUCP-WIOPSUGQSA-N 0 1 508.663 4.275 50 0 KIAAMN COc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037359332 554235132 /nfs/dbraw/zinc/23/51/32/554235132.db2.gz QKJNUYDNRDXTHR-UHFFFAOYSA-N 0 1 505.626 4.455 50 0 KIAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CCOc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037359712 554235056 /nfs/dbraw/zinc/23/50/56/554235056.db2.gz ZMMSJAFATJDIBN-UHFFFAOYSA-N 0 1 523.616 4.464 50 0 KIAAMN COCCN1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037377473 554235646 /nfs/dbraw/zinc/23/56/46/554235646.db2.gz OSNQIWJYSYABCX-UHFFFAOYSA-N 0 1 516.408 4.279 50 0 KIAAMN O=C(c1ccccc1N1CCC(NC(=S)Nc2ccc(F)cc2)CC1)N1CCN(C2CCCC2)CC1 ZINC000037526272 554250620 /nfs/dbraw/zinc/25/06/20/554250620.db2.gz SDVNJJOALVOVGP-UHFFFAOYSA-N 0 1 509.695 4.482 50 0 KIAAMN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCCN5CCCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037604821 554256198 /nfs/dbraw/zinc/25/61/98/554256198.db2.gz SUICZEXEPWGEEZ-GDLZYMKVSA-N 0 1 528.653 4.272 50 0 KIAAMN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCCN5CCCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037604822 554256226 /nfs/dbraw/zinc/25/62/26/554256226.db2.gz SUICZEXEPWGEEZ-LJAQVGFWSA-N 0 1 528.653 4.272 50 0 KIAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000038139305 554259978 /nfs/dbraw/zinc/25/99/78/554259978.db2.gz IDDCKRJBLQUZIL-UHFFFAOYSA-N 0 1 518.209 4.200 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000038140298 554262878 /nfs/dbraw/zinc/26/28/78/554262878.db2.gz AQNXYEYJVUWVBT-UHFFFAOYSA-N 0 1 539.529 4.491 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038140471 554263873 /nfs/dbraw/zinc/26/38/73/554263873.db2.gz YRENCYSKNXJWAU-UHFFFAOYSA-N 0 1 539.529 4.491 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000038144551 554266085 /nfs/dbraw/zinc/26/60/85/554266085.db2.gz LRIOWIZGCOYAIF-UHFFFAOYSA-N 0 1 538.651 4.059 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000038144552 554266141 /nfs/dbraw/zinc/26/61/41/554266141.db2.gz UEZYHYZYFREBHX-UHFFFAOYSA-N 0 1 537.505 4.052 50 0 KIAAMN Cc1ccc(C)c(N2CCN(C(=O)CCCCCn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)CC2)c1 ZINC000038150008 554270821 /nfs/dbraw/zinc/27/08/21/554270821.db2.gz YRUFCRMSWYXDDA-UHFFFAOYSA-N 0 1 549.741 4.422 50 0 KIAAMN Cc1cccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)CC2)c1C ZINC000038150015 554270856 /nfs/dbraw/zinc/27/08/56/554270856.db2.gz KMLNVYUKYBOEGN-UHFFFAOYSA-N 0 1 549.741 4.422 50 0 KIAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000038152212 554272301 /nfs/dbraw/zinc/27/23/01/554272301.db2.gz LBBMXZNBFBXUDL-MDWZMJQESA-N 0 1 548.656 4.256 50 0 KIAAMN COc1ccc([C@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000038152359 554272565 /nfs/dbraw/zinc/27/25/65/554272565.db2.gz MCOOYONNVNRHBQ-QHCPKHFHSA-N 0 1 532.460 4.291 50 0 KIAAMN COc1ccc([C@@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000038152360 554272543 /nfs/dbraw/zinc/27/25/43/554272543.db2.gz MCOOYONNVNRHBQ-HSZRJFAPSA-N 0 1 532.460 4.291 50 0 KIAAMN Cc1ccc(N2CC[NH+](CCc3nc4cc([N-]S(=O)(=O)c5ccc(F)cc5)ccc4n3C)CC2)cc1 ZINC000038696607 554275455 /nfs/dbraw/zinc/27/54/55/554275455.db2.gz CAIKCPDUBXJVLV-UHFFFAOYSA-N 0 1 507.635 4.186 50 0 KIAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(Br)cc3)cc21 ZINC000040450446 554285430 /nfs/dbraw/zinc/28/54/30/554285430.db2.gz LCFPETPKZDEFSQ-UHFFFAOYSA-N 0 1 500.212 4.312 50 0 KIAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 ZINC000040450505 554285518 /nfs/dbraw/zinc/28/55/18/554285518.db2.gz BPVWUDQNJJMVDN-UHFFFAOYSA-N 0 1 505.312 4.448 50 0 KIAAMN COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(O[C@@H]3CC[N@@H+](C)C3)c2)cc1OC ZINC000042881303 554297165 /nfs/dbraw/zinc/29/71/65/554297165.db2.gz KQCZCINJGIRLCD-CYBMUJFWSA-N 0 1 505.818 4.003 50 0 in-vitro KIAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CCOc3ccccc3)CC1)nc2-c1ccccc1F ZINC000044854584 554305581 /nfs/dbraw/zinc/30/55/81/554305581.db2.gz YUJKGFPRARARFL-UHFFFAOYSA-N 0 1 523.616 4.464 50 0 KIAAMN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[nH]2)cc1 ZINC000045922073 554314546 /nfs/dbraw/zinc/31/45/46/554314546.db2.gz JHBGCPNIQOKWGG-UHFFFAOYSA-N 0 1 512.657 4.057 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)Nc1ccccc1Cl ZINC000046016274 554318439 /nfs/dbraw/zinc/31/84/39/554318439.db2.gz BAZRHKRBNGNQOE-UHFFFAOYSA-N 0 1 503.911 4.006 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)Nc1cccc(Cl)c1 ZINC000046016276 554318560 /nfs/dbraw/zinc/31/85/60/554318560.db2.gz QYKLLHZKLAFCCT-UHFFFAOYSA-N 0 1 503.911 4.006 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)Nc1ccc(Cl)cc1 ZINC000046016278 554318569 /nfs/dbraw/zinc/31/85/69/554318569.db2.gz PGQTUNHNJVWMKS-UHFFFAOYSA-N 0 1 503.911 4.006 50 0 KIAAMN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)c1 ZINC000046016302 554318520 /nfs/dbraw/zinc/31/85/20/554318520.db2.gz JEDRJZICSOJYME-UHFFFAOYSA-N 0 1 515.560 4.074 50 0 KIAAMN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)cc1 ZINC000046016307 554318370 /nfs/dbraw/zinc/31/83/70/554318370.db2.gz QAKZDQSQKBTLJX-UHFFFAOYSA-N 0 1 511.547 4.476 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[nH]c2=O)cc1 ZINC000046016354 554318378 /nfs/dbraw/zinc/31/83/78/554318378.db2.gz JHHZZPROYLXHFI-UHFFFAOYSA-N 0 1 522.048 4.338 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3OC)[nH]c2=O)cc1 ZINC000046016359 554318782 /nfs/dbraw/zinc/31/87/82/554318782.db2.gz FPNSTOBFFWQQMQ-UHFFFAOYSA-N 0 1 522.048 4.338 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OCC)cc3)[nH]c2=O)cc1 ZINC000046016363 554318846 /nfs/dbraw/zinc/31/88/46/554318846.db2.gz AFSBHIIBPVLXEV-UHFFFAOYSA-N 0 1 501.630 4.075 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(SC)c3)[nH]c2=O)cc1 ZINC000046016372 554318859 /nfs/dbraw/zinc/31/88/59/554318859.db2.gz STNUIMWVQUANCB-UHFFFAOYSA-N 0 1 503.671 4.398 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3OCC)[nH]c2=O)cc1 ZINC000046016376 554318683 /nfs/dbraw/zinc/31/86/83/554318683.db2.gz CEIRQOVUJKDAGO-UHFFFAOYSA-N 0 1 501.630 4.075 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000046016382 554318708 /nfs/dbraw/zinc/31/87/08/554318708.db2.gz SIQHOQCMUMIBMV-UHFFFAOYSA-N 0 1 506.049 4.007 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000046016391 554318714 /nfs/dbraw/zinc/31/87/14/554318714.db2.gz HLGAXXNDWXIZSV-UHFFFAOYSA-N 0 1 520.076 4.050 50 0 KIAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3Cl)[nH]c2=O)cc1 ZINC000046016393 554318876 /nfs/dbraw/zinc/31/88/76/554318876.db2.gz LWMQNVSZQDVDCF-UHFFFAOYSA-N 0 1 506.049 4.007 50 0 KIAAMN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)n1 ZINC000055041963 554349806 /nfs/dbraw/zinc/34/98/06/554349806.db2.gz IWOCVKNFZWSUAC-ZYBMPSBHSA-N 0 1 500.112 4.072 50 0 KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057122029 554352739 /nfs/dbraw/zinc/35/27/39/554352739.db2.gz GPMILASLXAYRTN-KDLQGFRMSA-N 0 1 507.590 4.408 50 0 biogenic KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057128766 554352655 /nfs/dbraw/zinc/35/26/55/554352655.db2.gz TXAPGBAUFDPOSG-CBVMVLCFSA-N 0 1 507.590 4.408 50 0 biogenic KIAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000057222802 554353088 /nfs/dbraw/zinc/35/30/88/554353088.db2.gz QQIPLLLOPUGVMA-UHFFFAOYSA-N 0 1 519.598 4.074 50 0 KIAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000057222966 554353123 /nfs/dbraw/zinc/35/31/23/554353123.db2.gz CTNDFOJVTSAADG-UHFFFAOYSA-N 0 1 503.599 4.455 50 0 KIAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000057223012 554353069 /nfs/dbraw/zinc/35/30/69/554353069.db2.gz IGVFVERBGPMGNI-UHFFFAOYSA-N 0 1 503.599 4.212 50 0 KIAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000057233534 554353387 /nfs/dbraw/zinc/35/33/87/554353387.db2.gz UKDFLIHYCWMOCX-UHFFFAOYSA-N 0 1 502.640 4.231 50 0 KIAAMN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000057264477 554353436 /nfs/dbraw/zinc/35/34/36/554353436.db2.gz SUFKPSAYHWGIPN-UHFFFAOYSA-N 0 1 501.606 4.403 50 0 KIAAMN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264478 554353479 /nfs/dbraw/zinc/35/34/79/554353479.db2.gz SVQWYTUDGZELBI-UHFFFAOYSA-N 0 1 501.606 4.403 50 0 KIAAMN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264482 554353420 /nfs/dbraw/zinc/35/34/20/554353420.db2.gz CKXKOLQZMIOPAS-UHFFFAOYSA-N 0 1 517.605 4.103 50 0 KIAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000059192613 554384110 /nfs/dbraw/zinc/38/41/10/554384110.db2.gz BARDSKHUTJBBIT-UHFFFAOYSA-N 0 1 580.717 4.228 50 0 KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccccc2OC)[C@@]12c1ccccc1NC2=O ZINC000059485880 554398136 /nfs/dbraw/zinc/39/81/36/554398136.db2.gz FGPMHVIIECBBJC-CBVMVLCFSA-N 0 1 507.590 4.272 50 0 biogenic KIAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487372 554398118 /nfs/dbraw/zinc/39/81/18/554398118.db2.gz GCRJVSFFGWCWGD-GLKSXAEWSA-N 0 1 507.590 4.490 50 0 biogenic KIAAMN COc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487373 554398220 /nfs/dbraw/zinc/39/82/20/554398220.db2.gz ASTZMCSPNGKYIN-NZWZHHCMSA-N 0 1 507.590 4.327 50 0 biogenic KIAAMN CN1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515132 554402486 /nfs/dbraw/zinc/40/24/86/554402486.db2.gz IKKDPHXMIMKVJC-JOCHJYFZSA-N 0 1 578.964 4.071 50 0 KIAAMN CN1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515133 554402528 /nfs/dbraw/zinc/40/25/28/554402528.db2.gz IKKDPHXMIMKVJC-QFIPXVFZSA-N 0 1 578.964 4.071 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000059515229 554403043 /nfs/dbraw/zinc/40/30/43/554403043.db2.gz PJBGNSABZRLACB-LOYHVIPDSA-N 0 1 537.664 4.486 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000059515230 554403047 /nfs/dbraw/zinc/40/30/47/554403047.db2.gz PJBGNSABZRLACB-XZWHSSHBSA-N 0 1 537.664 4.486 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000059515231 554403054 /nfs/dbraw/zinc/40/30/54/554403054.db2.gz PJBGNSABZRLACB-IHLOFXLRSA-N 0 1 537.664 4.486 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000059515232 554403056 /nfs/dbraw/zinc/40/30/56/554403056.db2.gz PJBGNSABZRLACB-KYJUHHDHSA-N 0 1 537.664 4.486 50 0 KIAAMN O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000059522682 554403756 /nfs/dbraw/zinc/40/37/56/554403756.db2.gz MBRUWZOETJLJNX-UHFFFAOYSA-N 0 1 537.705 4.333 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)cc2)n1 ZINC000059522827 554403743 /nfs/dbraw/zinc/40/37/43/554403743.db2.gz IUIMJXLZCRVGIT-UHFFFAOYSA-N 0 1 573.741 4.449 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2)n1 ZINC000059522877 554403975 /nfs/dbraw/zinc/40/39/75/554403975.db2.gz OANZMMCYHXCTKX-UHFFFAOYSA-N 0 1 557.698 4.100 50 0 KIAAMN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000059522885 554404071 /nfs/dbraw/zinc/40/40/71/554404071.db2.gz YZASPSFETWAFMW-UHFFFAOYSA-N 0 1 579.704 4.357 50 0 KIAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059525167 554406196 /nfs/dbraw/zinc/40/61/96/554406196.db2.gz CYLUOPCKCSXZBC-UHFFFAOYSA-N 0 1 556.132 4.458 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530947 554406868 /nfs/dbraw/zinc/40/68/68/554406868.db2.gz NWBMPAJGLTUFOC-FIRIVFDPSA-N 0 1 551.691 4.496 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530948 554406852 /nfs/dbraw/zinc/40/68/52/554406852.db2.gz NWBMPAJGLTUFOC-JSOSNVBQSA-N 0 1 551.691 4.496 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530949 554406908 /nfs/dbraw/zinc/40/69/08/554406908.db2.gz NWBMPAJGLTUFOC-IOWSJCHKSA-N 0 1 551.691 4.496 50 0 KIAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530950 554406889 /nfs/dbraw/zinc/40/68/89/554406889.db2.gz NWBMPAJGLTUFOC-CONSDPRKSA-N 0 1 551.691 4.496 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5N(CC(=O)Nc5ccc(C)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000059587134 554407720 /nfs/dbraw/zinc/40/77/20/554407720.db2.gz XGPUBBOSRCBOTK-KRKRULMMSA-N 0 1 566.658 4.008 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5N(CC(=O)Nc5ccc(C)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000059587142 554407696 /nfs/dbraw/zinc/40/76/96/554407696.db2.gz XGPUBBOSRCBOTK-RQWQZFOUSA-N 0 1 566.658 4.008 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@]32c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000059587214 554407705 /nfs/dbraw/zinc/40/77/05/554407705.db2.gz QXDXCFYVNWKEGW-LFNVBFKESA-N 0 1 545.636 4.107 50 0 KIAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000059616722 554413077 /nfs/dbraw/zinc/41/30/77/554413077.db2.gz BCGPOQSIAMNSOA-UHFFFAOYSA-N 0 1 599.662 4.478 50 0 KIAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl ZINC000059620820 554414276 /nfs/dbraw/zinc/41/42/76/554414276.db2.gz BQURUBGINPSTAF-UHFFFAOYSA-N 0 1 534.059 4.486 50 0 KIAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1I ZINC000059626587 554414898 /nfs/dbraw/zinc/41/48/98/554414898.db2.gz QHBOFRXRXAVKSC-UHFFFAOYSA-N 0 1 588.445 4.218 50 0 KIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c(C)c1 ZINC000059627231 554415538 /nfs/dbraw/zinc/41/55/38/554415538.db2.gz CUCFPIPEWXKMEU-UHFFFAOYSA-N 0 1 564.085 4.031 50 0 KIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CCCCC3)cc2)n1 ZINC000059766017 554428528 /nfs/dbraw/zinc/42/85/28/554428528.db2.gz IFLATLZLAJFIET-UHFFFAOYSA-N 0 1 564.697 4.475 50 0 KIAAMN O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000059771676 554428653 /nfs/dbraw/zinc/42/86/53/554428653.db2.gz CUFZTGIFQYFBBS-UHFFFAOYSA-N 0 1 544.706 4.381 50 0 KIAAMN Cc1onc(-c2ccccc2)c1C(=O)NCCCN1CCN(CCCNC(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000059829445 554432709 /nfs/dbraw/zinc/43/27/09/554432709.db2.gz VXMVZTCILQMHHY-UHFFFAOYSA-N 0 1 570.694 4.171 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209315 554503035 /nfs/dbraw/zinc/50/30/35/554503035.db2.gz NQRDOKLPQBEFHB-UHFFFAOYSA-N 0 1 551.532 4.442 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209353 554502993 /nfs/dbraw/zinc/50/29/93/554502993.db2.gz BNLMGXOIMPSKPY-IBGZPJMESA-N 0 1 581.558 4.067 50 0 KIAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCO2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209354 554503180 /nfs/dbraw/zinc/50/31/80/554503180.db2.gz BNLMGXOIMPSKPY-LJQANCHMSA-N 0 1 581.558 4.067 50 0 KIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209461 554503324 /nfs/dbraw/zinc/50/33/24/554503324.db2.gz GYDVJLBSDFWVND-UHFFFAOYSA-N 0 1 552.678 4.449 50 0 KIAAMN COc1cc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2cc1OC ZINC000060209518 554503375 /nfs/dbraw/zinc/50/33/75/554503375.db2.gz MLAUCIAMCLLPIZ-UHFFFAOYSA-N 0 1 560.742 4.475 50 0 KIAAMN COc1cc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2cc1OC ZINC000060209519 554503330 /nfs/dbraw/zinc/50/33/30/554503330.db2.gz RPJSXHDVZZSSNM-UHFFFAOYSA-N 0 1 568.721 4.343 50 0 KIAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc2c1 ZINC000060209539 554503298 /nfs/dbraw/zinc/50/32/98/554503298.db2.gz MCDABPSXWHXBRL-UHFFFAOYSA-N 0 1 536.679 4.265 50 0 KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2)[C@@]12c1ccccc1NC2=O ZINC000061997753 554506098 /nfs/dbraw/zinc/50/60/98/554506098.db2.gz NMUVGINWDKQGNT-GLKSXAEWSA-N 0 1 507.590 4.272 50 0 biogenic KIAAMN CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061997767 554506086 /nfs/dbraw/zinc/50/60/86/554506086.db2.gz OTMKRMZIMHXSDG-NZWZHHCMSA-N 0 1 507.590 4.272 50 0 biogenic KIAAMN COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999337 554506121 /nfs/dbraw/zinc/50/61/21/554506121.db2.gz IENFCJWKWCGXOO-KDLQGFRMSA-N 0 1 507.590 4.327 50 0 biogenic KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061999338 554506116 /nfs/dbraw/zinc/50/61/16/554506116.db2.gz VKXHDGXYEZBTOB-GLKSXAEWSA-N 0 1 507.590 4.272 50 0 biogenic KIAAMN COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999347 554506056 /nfs/dbraw/zinc/50/60/56/554506056.db2.gz IYLQWKSJFNCKQD-KDLQGFRMSA-N 0 1 507.590 4.327 50 0 biogenic KIAAMN CCOC(=O)C1=C(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000062572043 554506842 /nfs/dbraw/zinc/50/68/42/554506842.db2.gz JXNQLUYGZBYCOL-HSZRJFAPSA-N 0 1 500.580 4.305 50 0 KIAAMN CCOC(=O)C1=C(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000062572044 554506837 /nfs/dbraw/zinc/50/68/37/554506837.db2.gz JXNQLUYGZBYCOL-QHCPKHFHSA-N 0 1 500.580 4.305 50 0 KIAAMN CCOC(=O)C1=C(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000062572061 554507229 /nfs/dbraw/zinc/50/72/29/554507229.db2.gz ZMETTYPGIYALPW-JOCHJYFZSA-N 0 1 504.543 4.135 50 0 KIAAMN CCOC(=O)C1=C(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000062572063 554507184 /nfs/dbraw/zinc/50/71/84/554507184.db2.gz ZMETTYPGIYALPW-QFIPXVFZSA-N 0 1 504.543 4.135 50 0 KIAAMN O=C(c1ccccc1)c1ccc2nc(NCCN3CCN(c4cccc(Cl)c4)CC3)c3nncn3c2c1 ZINC000063457760 554509390 /nfs/dbraw/zinc/50/93/90/554509390.db2.gz KUTDBXDIYXCMDW-UHFFFAOYSA-N 0 1 512.017 4.396 50 0 KIAAMN Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000063539888 554509658 /nfs/dbraw/zinc/50/96/58/554509658.db2.gz JVDOKQYTTYUYDV-UHFFFAOYSA-N 0 1 509.680 4.101 50 0 in-vitro KIAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000067190013 554530097 /nfs/dbraw/zinc/53/00/97/554530097.db2.gz DBDMEDCSXHUEAU-UHFFFAOYSA-N 0 1 513.641 4.223 50 0 KIAAMN COc1ccc(C[C@@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672054 553601474 /nfs/dbraw/zinc/60/14/74/553601474.db2.gz RPOCLRMLCJYPNM-PKHCJMHPSA-N 0 1 543.620 4.348 50 0 biogenic KIAAMN COc1ccc(C[C@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672057 553601332 /nfs/dbraw/zinc/60/13/32/553601332.db2.gz RPOCLRMLCJYPNM-GEFUHLBYSA-N 0 1 543.620 4.348 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699208 553615890 /nfs/dbraw/zinc/61/58/90/553615890.db2.gz ADFLRTWCVUDHAX-XTQYNZLPSA-N 0 1 532.600 4.155 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699210 553615897 /nfs/dbraw/zinc/61/58/97/553615897.db2.gz ADFLRTWCVUDHAX-ACIRYHQQSA-N 0 1 532.600 4.155 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699213 553615936 /nfs/dbraw/zinc/61/59/36/553615936.db2.gz ADFLRTWCVUDHAX-WEBZSHJMSA-N 0 1 532.600 4.155 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699216 553615905 /nfs/dbraw/zinc/61/59/05/553615905.db2.gz ADFLRTWCVUDHAX-BESNRVDSSA-N 0 1 532.600 4.155 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699219 553615893 /nfs/dbraw/zinc/61/58/93/553615893.db2.gz QKNNYFKQZIDUHR-CPBHOCDRSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699223 553615927 /nfs/dbraw/zinc/61/59/27/553615927.db2.gz QKNNYFKQZIDUHR-YTEUAAESSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699229 553615873 /nfs/dbraw/zinc/61/58/73/553615873.db2.gz QKNNYFKQZIDUHR-YRIIQKNPSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699230 553615901 /nfs/dbraw/zinc/61/59/01/553615901.db2.gz QKNNYFKQZIDUHR-TUAOVVRQSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699493 553616179 /nfs/dbraw/zinc/61/61/79/553616179.db2.gz DWGVEKIJIURHDU-KDLQGFRMSA-N 0 1 523.589 4.027 50 0 biogenic KIAAMN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070699621 553616517 /nfs/dbraw/zinc/61/65/17/553616517.db2.gz ORRRQSVEYRCVDW-CBVMVLCFSA-N 0 1 523.589 4.027 50 0 biogenic KIAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700213 553617974 /nfs/dbraw/zinc/61/79/74/553617974.db2.gz DQDVMXAVIZOHDD-XZSHTLEFSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700214 553617916 /nfs/dbraw/zinc/61/79/16/553617916.db2.gz DQDVMXAVIZOHDD-GURVGDRESA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700221 553618017 /nfs/dbraw/zinc/61/80/17/553618017.db2.gz DQDVMXAVIZOHDD-PCEYSVKOSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700222 553617951 /nfs/dbraw/zinc/61/79/51/553617951.db2.gz DQDVMXAVIZOHDD-ZGQJUUMOSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000070700364 553618199 /nfs/dbraw/zinc/61/81/99/553618199.db2.gz SIUOYTKNFZJECV-JZMUPVMCSA-N 0 1 521.573 4.047 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700742 553619457 /nfs/dbraw/zinc/61/94/57/553619457.db2.gz CPWXBTKJSFJSBO-ZASNTINBSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700744 553619489 /nfs/dbraw/zinc/61/94/89/553619489.db2.gz CPWXBTKJSFJSBO-ZRIOWSNCSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700746 553619520 /nfs/dbraw/zinc/61/95/20/553619520.db2.gz CPWXBTKJSFJSBO-YDXRHMNESA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700749 553619345 /nfs/dbraw/zinc/61/93/45/553619345.db2.gz CPWXBTKJSFJSBO-SODQHWRNSA-N 0 1 538.991 4.192 50 0 biogenic KIAAMN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000070700782 553619421 /nfs/dbraw/zinc/61/94/21/553619421.db2.gz CCIIJTFYTVPCNO-JDPWCRRISA-N 0 1 537.616 4.335 50 0 biogenic KIAAMN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070700960 553619943 /nfs/dbraw/zinc/61/99/43/553619943.db2.gz CLNDGPCBHSTQAI-IHAJHMTMSA-N 0 1 537.616 4.335 50 0 biogenic KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2OC)[C@@]12c1ccccc1NC2=O ZINC000070701068 553620512 /nfs/dbraw/zinc/62/05/12/553620512.db2.gz YZPBMSIWXFOMES-LZEYHBPHSA-N 0 1 537.616 4.281 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701085 553620483 /nfs/dbraw/zinc/62/04/83/553620483.db2.gz IEOHKQQNYBSAFG-SODQHWRNSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701086 553620583 /nfs/dbraw/zinc/62/05/83/553620583.db2.gz IEOHKQQNYBSAFG-YDXRHMNESA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701087 553620600 /nfs/dbraw/zinc/62/06/00/553620600.db2.gz IEOHKQQNYBSAFG-ZRIOWSNCSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701088 553620575 /nfs/dbraw/zinc/62/05/75/553620575.db2.gz IEOHKQQNYBSAFG-ZASNTINBSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701090 553620503 /nfs/dbraw/zinc/62/05/03/553620503.db2.gz DKJGVCSNCFDAPO-GALPXTFTSA-N 0 1 555.034 4.302 50 0 biogenic KIAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701091 553620524 /nfs/dbraw/zinc/62/05/24/553620524.db2.gz DKJGVCSNCFDAPO-BQNOKLPLSA-N 0 1 555.034 4.302 50 0 biogenic KIAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701093 553620548 /nfs/dbraw/zinc/62/05/48/553620548.db2.gz DKJGVCSNCFDAPO-AIHUPLDYSA-N 0 1 555.034 4.302 50 0 biogenic KIAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701094 553620556 /nfs/dbraw/zinc/62/05/56/553620556.db2.gz DKJGVCSNCFDAPO-BQMULWJUSA-N 0 1 555.034 4.302 50 0 biogenic KIAAMN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701139 553620956 /nfs/dbraw/zinc/62/09/56/553620956.db2.gz JRWJDJJVEJEJCL-IHAJHMTMSA-N 0 1 537.616 4.335 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701160 553620895 /nfs/dbraw/zinc/62/08/95/553620895.db2.gz OCBRZYPRQKZDTM-XZSHTLEFSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701162 553620930 /nfs/dbraw/zinc/62/09/30/553620930.db2.gz OCBRZYPRQKZDTM-GURVGDRESA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701164 553620839 /nfs/dbraw/zinc/62/08/39/553620839.db2.gz OCBRZYPRQKZDTM-PCEYSVKOSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701165 553620849 /nfs/dbraw/zinc/62/08/49/553620849.db2.gz OCBRZYPRQKZDTM-ZGQJUUMOSA-N 0 1 539.035 4.336 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701179 553620935 /nfs/dbraw/zinc/62/09/35/553620935.db2.gz FQQLILCIEXODCP-SODQHWRNSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701181 553620942 /nfs/dbraw/zinc/62/09/42/553620942.db2.gz FQQLILCIEXODCP-YDXRHMNESA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701182 553620925 /nfs/dbraw/zinc/62/09/25/553620925.db2.gz FQQLILCIEXODCP-ZRIOWSNCSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701184 553620902 /nfs/dbraw/zinc/62/09/02/553620902.db2.gz FQQLILCIEXODCP-ZASNTINBSA-N 0 1 541.007 4.306 50 0 biogenic KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070701413 553621659 /nfs/dbraw/zinc/62/16/59/553621659.db2.gz OOOYCSXLQOMGDV-NEYZWBGCSA-N 0 1 537.616 4.281 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704586 553623291 /nfs/dbraw/zinc/62/32/91/553623291.db2.gz ZOTNKMUIYSXUSK-WZUKXRJWSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704593 553623235 /nfs/dbraw/zinc/62/32/35/553623235.db2.gz ZOTNKMUIYSXUSK-FOLYNEBTSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704595 553623272 /nfs/dbraw/zinc/62/32/72/553623272.db2.gz ZOTNKMUIYSXUSK-YIZCCYSQSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704600 553623225 /nfs/dbraw/zinc/62/32/25/553623225.db2.gz ZOTNKMUIYSXUSK-VVPNKDTJSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705243 553624875 /nfs/dbraw/zinc/62/48/75/553624875.db2.gz QBBOEJJIFLLBIH-MUSMBDMCSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705246 553624881 /nfs/dbraw/zinc/62/48/81/553624881.db2.gz QBBOEJJIFLLBIH-PTLRTPRYSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705249 553624899 /nfs/dbraw/zinc/62/48/99/553624899.db2.gz QBBOEJJIFLLBIH-GFGYWFAOSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705252 553624785 /nfs/dbraw/zinc/62/47/85/553624785.db2.gz QBBOEJJIFLLBIH-YCYTWPSCSA-N 0 1 585.060 4.044 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705423 553625278 /nfs/dbraw/zinc/62/52/78/553625278.db2.gz XWGPXGCFZNGUDZ-XDEUOAMESA-N 0 1 569.017 4.069 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705426 553625388 /nfs/dbraw/zinc/62/53/88/553625388.db2.gz XWGPXGCFZNGUDZ-ZFXCNGLTSA-N 0 1 569.017 4.069 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705428 553625354 /nfs/dbraw/zinc/62/53/54/553625354.db2.gz XWGPXGCFZNGUDZ-UGZASAPCSA-N 0 1 569.017 4.069 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705431 553625336 /nfs/dbraw/zinc/62/53/36/553625336.db2.gz XWGPXGCFZNGUDZ-WDYOTBSQSA-N 0 1 569.017 4.069 50 0 biogenic KIAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705904 553626716 /nfs/dbraw/zinc/62/67/16/553626716.db2.gz XZAAUWRCFUWEIW-XZSHTLEFSA-N 0 1 569.017 4.223 50 0 biogenic KIAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705907 553626704 /nfs/dbraw/zinc/62/67/04/553626704.db2.gz XZAAUWRCFUWEIW-GURVGDRESA-N 0 1 569.017 4.223 50 0 biogenic KIAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705912 553626660 /nfs/dbraw/zinc/62/66/60/553626660.db2.gz XZAAUWRCFUWEIW-PCEYSVKOSA-N 0 1 569.017 4.223 50 0 biogenic KIAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705913 553626641 /nfs/dbraw/zinc/62/66/41/553626641.db2.gz XZAAUWRCFUWEIW-ZGQJUUMOSA-N 0 1 569.017 4.223 50 0 biogenic KIAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706141 553627176 /nfs/dbraw/zinc/62/71/76/553627176.db2.gz SWKHSAVLZHPMIR-VVPQVUFJSA-N 0 1 569.017 4.084 50 0 biogenic KIAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706144 553627204 /nfs/dbraw/zinc/62/72/04/553627204.db2.gz SWKHSAVLZHPMIR-DCBMAJDCSA-N 0 1 569.017 4.084 50 0 biogenic KIAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706148 553627188 /nfs/dbraw/zinc/62/71/88/553627188.db2.gz SWKHSAVLZHPMIR-USFMNVFSSA-N 0 1 569.017 4.084 50 0 biogenic KIAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706150 553627210 /nfs/dbraw/zinc/62/72/10/553627210.db2.gz SWKHSAVLZHPMIR-GMFHJIRQSA-N 0 1 569.017 4.084 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706689 553628547 /nfs/dbraw/zinc/62/85/47/553628547.db2.gz DXBFPRWETVBCRR-XDEUOAMESA-N 0 1 569.017 4.022 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706692 553628552 /nfs/dbraw/zinc/62/85/52/553628552.db2.gz DXBFPRWETVBCRR-ZFXCNGLTSA-N 0 1 569.017 4.022 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706695 553628569 /nfs/dbraw/zinc/62/85/69/553628569.db2.gz DXBFPRWETVBCRR-UGZASAPCSA-N 0 1 569.017 4.022 50 0 biogenic KIAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706698 553628559 /nfs/dbraw/zinc/62/85/59/553628559.db2.gz DXBFPRWETVBCRR-WDYOTBSQSA-N 0 1 569.017 4.022 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706700 553628542 /nfs/dbraw/zinc/62/85/42/553628542.db2.gz AXOWKBARDCNFGR-RXDUGQIKSA-N 0 1 569.017 4.166 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706702 553628564 /nfs/dbraw/zinc/62/85/64/553628564.db2.gz AXOWKBARDCNFGR-CYOUBLJMSA-N 0 1 569.017 4.166 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706707 553628574 /nfs/dbraw/zinc/62/85/74/553628574.db2.gz AXOWKBARDCNFGR-TXHDDHBJSA-N 0 1 569.017 4.166 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706709 553628520 /nfs/dbraw/zinc/62/85/20/553628520.db2.gz AXOWKBARDCNFGR-PBANKSGMSA-N 0 1 569.017 4.166 50 0 biogenic KIAAMN CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070706992 553629669 /nfs/dbraw/zinc/62/96/69/553629669.db2.gz UTQFEYHQIFMLLP-GIHVEBPHSA-N 0 1 567.642 4.289 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707192 553630268 /nfs/dbraw/zinc/63/02/68/553630268.db2.gz YMVLMPZUCAGUQE-UOJGMACNSA-N 0 1 583.044 4.474 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707195 553630204 /nfs/dbraw/zinc/63/02/04/553630204.db2.gz YMVLMPZUCAGUQE-XPZOENDESA-N 0 1 583.044 4.474 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707197 553630222 /nfs/dbraw/zinc/63/02/22/553630222.db2.gz YMVLMPZUCAGUQE-ZVJSOJQNSA-N 0 1 583.044 4.474 50 0 biogenic KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707200 553630254 /nfs/dbraw/zinc/63/02/54/553630254.db2.gz YMVLMPZUCAGUQE-FBIDWWCOSA-N 0 1 583.044 4.474 50 0 biogenic KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070707263 553630443 /nfs/dbraw/zinc/63/04/43/553630443.db2.gz YAONODVEIISWDZ-VTQDICDJSA-N 0 1 567.642 4.289 50 0 biogenic KIAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000072135043 553644342 /nfs/dbraw/zinc/64/43/42/553644342.db2.gz NGMNWORWRJEHNQ-QHCPKHFHSA-N 0 1 532.460 4.291 50 0 KIAAMN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000072135044 553644383 /nfs/dbraw/zinc/64/43/83/553644383.db2.gz NGMNWORWRJEHNQ-HSZRJFAPSA-N 0 1 532.460 4.291 50 0 KIAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000072136833 553644393 /nfs/dbraw/zinc/64/43/93/553644393.db2.gz IKVXOJQJCKPPJA-UHFFFAOYSA-N 0 1 536.481 4.108 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1N1CCOCC1 ZINC000072139650 553644988 /nfs/dbraw/zinc/64/49/88/553644988.db2.gz KQZOJGVATWUJAM-UHFFFAOYSA-N 0 1 539.507 4.141 50 0 KIAAMN CC[C@H](C(=O)Nc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1)c1ccccc1 ZINC000072405867 553651738 /nfs/dbraw/zinc/65/17/38/553651738.db2.gz NTGLTFRNTPILRJ-SFTDATJTSA-N 0 1 506.570 4.453 50 0 KIAAMN CC[C@@H](C(=O)Nc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1)c1ccccc1 ZINC000072405868 553651700 /nfs/dbraw/zinc/65/17/00/553651700.db2.gz NTGLTFRNTPILRJ-RTWAWAEBSA-N 0 1 506.570 4.453 50 0 KIAAMN CC[C@H](C(=O)Nc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1)c1ccccc1 ZINC000072405869 553651723 /nfs/dbraw/zinc/65/17/23/553651723.db2.gz NTGLTFRNTPILRJ-LEWJYISDSA-N 0 1 506.570 4.453 50 0 KIAAMN CC[C@@H](C(=O)Nc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1)c1ccccc1 ZINC000072405870 553651709 /nfs/dbraw/zinc/65/17/09/553651709.db2.gz NTGLTFRNTPILRJ-NHCUHLMSSA-N 0 1 506.570 4.453 50 0 KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000085876347 553689007 /nfs/dbraw/zinc/68/90/07/553689007.db2.gz VBBWWBHXKKTQKY-KRWDZBQOSA-N 0 1 502.475 4.395 50 0 biogenic KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000085876350 553688952 /nfs/dbraw/zinc/68/89/52/553688952.db2.gz VBBWWBHXKKTQKY-QGZVFWFLSA-N 0 1 502.475 4.395 50 0 biogenic KIAAMN CC(C)(C)OC(=O)N1CCCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCCNCC1 ZINC000090411141 553694861 /nfs/dbraw/zinc/69/48/61/553694861.db2.gz FIPOUUYFPSMVMX-UHFFFAOYSA-N 0 1 500.681 4.081 50 0 KIAAMN CN(Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000091998092 553695251 /nfs/dbraw/zinc/69/52/51/553695251.db2.gz VSRTUVSDRRMHNY-UHFFFAOYSA-N 0 1 520.120 4.419 50 0 KIAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000095101406 553700435 /nfs/dbraw/zinc/70/04/35/553700435.db2.gz ZRFGCOFGZGFLFM-NZOAYYAZSA-N 0 1 511.597 4.387 50 0 KIAAMN Cc1ncc(CN2CCN(CCc3ccncc3)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095472628 553701384 /nfs/dbraw/zinc/70/13/84/553701384.db2.gz KXOOSKXGADAGBL-UHFFFAOYSA-N 0 1 524.577 4.394 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc21 ZINC000095476278 553701818 /nfs/dbraw/zinc/70/18/18/553701818.db2.gz WWWAZDQHRWWQED-HHHXNRCGSA-N 0 1 508.517 4.119 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc21 ZINC000095476279 553701773 /nfs/dbraw/zinc/70/17/73/553701773.db2.gz WWWAZDQHRWWQED-MHZLTWQESA-N 0 1 508.517 4.119 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(CCCc2ccccc2)c2ccc(F)cc21 ZINC000095476548 553701780 /nfs/dbraw/zinc/70/17/80/553701780.db2.gz XLWXZDMJCOMCTB-MUUNZHRXSA-N 0 1 522.544 4.243 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(CCCc2ccccc2)c2ccc(F)cc21 ZINC000095476549 553701753 /nfs/dbraw/zinc/70/17/53/553701753.db2.gz XLWXZDMJCOMCTB-NDEPHWFRSA-N 0 1 522.544 4.243 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000095478853 553701853 /nfs/dbraw/zinc/70/18/53/553701853.db2.gz PHKHBCCLUKKTGI-AREMUKBSSA-N 0 1 510.945 4.325 50 0 KIAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000095478854 553701847 /nfs/dbraw/zinc/70/18/47/553701847.db2.gz PHKHBCCLUKKTGI-SANMLTNESA-N 0 1 510.945 4.325 50 0 KIAAMN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000095551773 553704381 /nfs/dbraw/zinc/70/43/81/553704381.db2.gz KPZQRBACZSLMPH-SSEXGKCCSA-N 0 1 520.722 4.214 50 0 in-vitro KIAAMN CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C ZINC000095564006 553704338 /nfs/dbraw/zinc/70/43/38/553704338.db2.gz ULNXAWLQFZMIHX-UHFFFAOYSA-N 0 1 541.700 4.310 50 0 in-vitro KIAAMN COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000096022006 553718826 /nfs/dbraw/zinc/71/88/26/553718826.db2.gz DRBLANZJXUYOSG-UHFFFAOYSA-N 0 1 553.662 4.287 50 0 KIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C\c3cccs3)NC(=O)c3cccs3)cc2)n1 ZINC000096022680 553722068 /nfs/dbraw/zinc/72/20/68/553722068.db2.gz APLTZGGOHIJIGB-XSFVSMFZSA-N 0 1 539.664 4.427 50 0 KIAAMN COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116319 553726821 /nfs/dbraw/zinc/72/68/21/553726821.db2.gz XQTFHFNXUDYLEY-QGZVFWFLSA-N 0 1 504.491 4.346 50 0 biogenic KIAAMN COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116320 553726912 /nfs/dbraw/zinc/72/69/12/553726912.db2.gz XQTFHFNXUDYLEY-KRWDZBQOSA-N 0 1 504.491 4.346 50 0 biogenic KIAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN[C@H](C)C4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000096281213 553737086 /nfs/dbraw/zinc/73/70/86/553737086.db2.gz IJVRDBYZTKAEFF-PBBNMVCDSA-N 0 1 501.627 4.485 50 0 KIAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN[C@H](C)C4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000096281214 553737232 /nfs/dbraw/zinc/73/72/32/553737232.db2.gz IJVRDBYZTKAEFF-ONOMSOESSA-N 0 1 501.627 4.485 50 0 KIAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN[C@@H](C)C4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000096281215 553737171 /nfs/dbraw/zinc/73/71/71/553737171.db2.gz IJVRDBYZTKAEFF-LGGPFLRQSA-N 0 1 501.627 4.485 50 0 KIAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN[C@@H](C)C4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000096281216 553737072 /nfs/dbraw/zinc/73/70/72/553737072.db2.gz IJVRDBYZTKAEFF-KCWXNJEJSA-N 0 1 501.627 4.485 50 0 KIAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096299592 553748692 /nfs/dbraw/zinc/74/86/92/553748692.db2.gz IAIXAIAYQAHPPU-ONLLFZDPSA-N 0 1 512.075 4.208 50 0 KIAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096562016 553755414 /nfs/dbraw/zinc/75/54/14/553755414.db2.gz URZKEBUKLPOXSO-DEOSSOPVSA-N 0 1 504.428 4.488 50 0 KIAAMN Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000096793146 553757241 /nfs/dbraw/zinc/75/72/41/553757241.db2.gz CEYYFXSKKCSWFL-NFQMXDRXSA-N 0 1 519.989 4.067 50 0 KIAAMN Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000096793147 553757235 /nfs/dbraw/zinc/75/72/35/553757235.db2.gz CEYYFXSKKCSWFL-HRFSGMKKSA-N 0 1 519.989 4.067 50 0 KIAAMN Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000096793148 553757324 /nfs/dbraw/zinc/75/73/24/553757324.db2.gz CEYYFXSKKCSWFL-CCLHPLFOSA-N 0 1 519.989 4.067 50 0 KIAAMN Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@H]1[C@@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000096793149 553757305 /nfs/dbraw/zinc/75/73/05/553757305.db2.gz CEYYFXSKKCSWFL-DCFHFQCYSA-N 0 1 519.989 4.067 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000097944503 553769811 /nfs/dbraw/zinc/76/98/11/553769811.db2.gz WWGQEIQUSPOYOB-JAORQVBISA-N 0 1 716.335 4.112 50 0 KIAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000097944504 553769771 /nfs/dbraw/zinc/76/97/71/553769771.db2.gz WWGQEIQUSPOYOB-JCAJYURWSA-N 0 1 716.335 4.112 50 0 KIAAMN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C(=O)OC(C)C ZINC000097945694 553774158 /nfs/dbraw/zinc/77/41/58/553774158.db2.gz NGPQLRJXWNLOOD-UHFFFAOYSA-N 0 1 534.682 4.066 50 0 KIAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(Br)cc(Br)c2OC)CC1 ZINC000097948170 553791690 /nfs/dbraw/zinc/79/16/90/553791690.db2.gz UZVVTBUJOYVAAP-UHFFFAOYSA-N 0 1 555.267 4.401 50 0 KIAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000097950248 553803768 /nfs/dbraw/zinc/80/37/68/553803768.db2.gz BLJRFPSBMLTXSO-SANMLTNESA-N 0 1 620.728 4.120 50 0 KIAAMN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(c2ccccc2OC)CC1 ZINC000097952084 553812970 /nfs/dbraw/zinc/81/29/70/553812970.db2.gz REJWVBUAKWGSMA-UHFFFAOYSA-N 0 1 529.435 4.267 50 0 KIAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000097954988 553827139 /nfs/dbraw/zinc/82/71/39/553827139.db2.gz GDRJJHSRUREXAI-VJGNERBWSA-N 0 1 538.560 4.007 50 0 KIAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(CC(=O)OCc3ccccc3)C2=O)c1=O ZINC000097955929 553835194 /nfs/dbraw/zinc/83/51/94/553835194.db2.gz BFRQUVGMAJFYDP-XYGWBWBKSA-N 0 1 540.551 4.252 50 0 KIAAMN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000097956528 553839421 /nfs/dbraw/zinc/83/94/21/553839421.db2.gz ASJNKLSYJLHRSI-UHFFFAOYSA-N 0 1 559.714 4.429 50 0 KIAAMN O=C1NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C(=O)N1Cc1ccccc1Cl ZINC000097956532 553839368 /nfs/dbraw/zinc/83/93/68/553839368.db2.gz XVPAMUMQXVETCO-IADCTJSHSA-N 0 1 539.979 4.113 50 0 KIAAMN O=C1NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1Cc1ccccc1Cl ZINC000097956533 553839409 /nfs/dbraw/zinc/83/94/09/553839409.db2.gz XVPAMUMQXVETCO-BTYSJIOQSA-N 0 1 539.979 4.113 50 0 KIAAMN Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000097958204 553852089 /nfs/dbraw/zinc/85/20/89/553852089.db2.gz DPXSESKCDAPOLL-UHFFFAOYSA-N 0 1 515.876 4.147 50 0 KIAAMN Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000097958209 553851997 /nfs/dbraw/zinc/85/19/97/553851997.db2.gz WYZAWNISFDWFCR-UHFFFAOYSA-N 0 1 566.743 4.363 50 0 KIAAMN CCCCCN(C(=O)NC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000097961165 553875749 /nfs/dbraw/zinc/87/57/49/553875749.db2.gz SHBKNVLWOXREKC-UHFFFAOYSA-N 0 1 574.685 4.017 50 0 KIAAMN CCCCCN(C(=O)NC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000097961166 553875756 /nfs/dbraw/zinc/87/57/56/553875756.db2.gz UOKBUUNZWVKYAG-UHFFFAOYSA-N 0 1 588.712 4.325 50 0 KIAAMN Cc1ccc(C)c(Cn2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000097963922 553895378 /nfs/dbraw/zinc/89/53/78/553895378.db2.gz GEFGUKOBTKUJDL-UHFFFAOYSA-N 0 1 562.718 4.006 50 0 KIAAMN COc1ccc2occ([C@H](CC(=O)N3CCN(C)CC3)c3c(=O)cc(O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000097971876 553963465 /nfs/dbraw/zinc/96/34/65/553963465.db2.gz SWGLUUYCLNQDOW-NRFANRHFSA-N 0 1 582.609 4.282 50 0 biogenic KIAAMN COc1ccc2occ([C@@H](CC(=O)N3CCN(C)CC3)c3c(=O)cc(O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000097971877 553963656 /nfs/dbraw/zinc/96/36/56/553963656.db2.gz SWGLUUYCLNQDOW-OAQYLSRUSA-N 0 1 582.609 4.282 50 0 biogenic KIAAMN COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097971941 553964234 /nfs/dbraw/zinc/96/42/34/553964234.db2.gz AONZXHPATMHIOQ-NRFANRHFSA-N 0 1 574.630 4.193 50 0 biogenic KIAAMN COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097971942 553964242 /nfs/dbraw/zinc/96/42/42/553964242.db2.gz AONZXHPATMHIOQ-OAQYLSRUSA-N 0 1 574.630 4.193 50 0 biogenic KIAAMN COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097972018 553965074 /nfs/dbraw/zinc/96/50/74/553965074.db2.gz YKFYDLIKNHHPHF-HXUWFJFHSA-N 0 1 561.587 4.278 50 0 biogenic KIAAMN COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097972019 553964948 /nfs/dbraw/zinc/96/49/48/553964948.db2.gz YKFYDLIKNHHPHF-FQEVSTJZSA-N 0 1 561.587 4.278 50 0 biogenic KIAAMN COc1ccc2occ([C@@H](CC(=O)N3CCOCC3)c3c(=O)cc(O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000097972029 553965365 /nfs/dbraw/zinc/96/53/65/553965365.db2.gz IICORKUJBKWIPA-HXUWFJFHSA-N 0 1 569.566 4.367 50 0 biogenic KIAAMN COc1ccc2occ([C@H](CC(=O)N3CCOCC3)c3c(=O)cc(O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000097972030 553965381 /nfs/dbraw/zinc/96/53/81/553965381.db2.gz IICORKUJBKWIPA-FQEVSTJZSA-N 0 1 569.566 4.367 50 0 biogenic KIAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)=NC(=O)N[C@@H]1c1ccccc1 ZINC000097979237 553977553 /nfs/dbraw/zinc/97/75/53/553977553.db2.gz IQRSOPJKBPVSSV-XIQMRYHBSA-N 0 1 538.963 4.401 50 0 KIAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)=NC(=O)N[C@H]1c1ccccc1 ZINC000097979238 553977498 /nfs/dbraw/zinc/97/74/98/553977498.db2.gz IQRSOPJKBPVSSV-XXFRDUSWSA-N 0 1 538.963 4.401 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)C2=O)c1 ZINC000097980526 553989202 /nfs/dbraw/zinc/98/92/02/553989202.db2.gz IPCZVESJLXUHOH-QUPMIFSKSA-N 0 1 688.784 4.465 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(S(=O)(=O)NCc4ccco4)cc3)ccc2OC)cc1 ZINC000097980615 553989960 /nfs/dbraw/zinc/98/99/60/553989960.db2.gz WTSTTYBCMWALAF-FRKPEAEDSA-N 0 1 597.671 4.228 50 0 KIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000097981273 553992710 /nfs/dbraw/zinc/99/27/10/553992710.db2.gz RVYAQLKCVCRHRQ-UHFFFAOYSA-N 0 1 525.446 4.474 50 0 KIAAMN CCN(CC)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000097981290 553992599 /nfs/dbraw/zinc/99/25/99/553992599.db2.gz FFTBIHLWMQYGBB-UHFFFAOYSA-N 0 1 591.781 4.401 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCc2ccc3c(c2)OCO3)ccc1N1CCCC1 ZINC000097981295 553992972 /nfs/dbraw/zinc/99/29/72/553992972.db2.gz KBOBINRJTRPIPY-UHFFFAOYSA-N 0 1 540.667 4.312 50 0 KIAAMN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097981465 553994171 /nfs/dbraw/zinc/99/41/71/553994171.db2.gz FMTDKQBZKGAECN-UHFFFAOYSA-N 0 1 579.719 4.382 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000097982328 554001183 /nfs/dbraw/zinc/00/11/83/554001183.db2.gz MTZCTWBNPRCWLE-UHFFFAOYSA-N 0 1 520.430 4.385 50 0 KIAAMN CCOc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc(OCC)c1OCC ZINC000097982330 554001225 /nfs/dbraw/zinc/00/12/25/554001225.db2.gz PQFRPMLXGYXMHU-UHFFFAOYSA-N 0 1 573.697 4.217 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1N1CCCC1 ZINC000097982343 554001217 /nfs/dbraw/zinc/00/12/17/554001217.db2.gz NNTYDXUKVDYCRY-UHFFFAOYSA-N 0 1 528.631 4.362 50 0 KIAAMN CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(CC)CC2)cc(OCC)c1OCC ZINC000097982589 554003677 /nfs/dbraw/zinc/00/36/77/554003677.db2.gz NOXUFVVSVGMINP-UHFFFAOYSA-N 0 1 588.771 4.452 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)ccc2Cl)cc1 ZINC000097982684 554004651 /nfs/dbraw/zinc/00/46/51/554004651.db2.gz XYEVOWMIBLJJIW-NRFANRHFSA-N 0 1 536.075 4.014 50 0 KIAAMN 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ZINC000101085796 554580516 /nfs/dbraw/zinc/58/05/16/554580516.db2.gz JUASMWZXZKOZBO-UHFFFAOYSA-N 0 1 554.713 5.073 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108092 554640547 /nfs/dbraw/zinc/64/05/47/554640547.db2.gz PVUKVNDIGLJWON-JIXXDEQJSA-N 0 1 562.626 4.129 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108096 554640436 /nfs/dbraw/zinc/64/04/36/554640436.db2.gz PVUKVNDIGLJWON-ZLFFOLKFSA-N 0 1 562.626 4.129 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108097 554640456 /nfs/dbraw/zinc/64/04/56/554640456.db2.gz PVUKVNDIGLJWON-LIHQSLCGSA-N 0 1 562.626 4.129 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108098 554640522 /nfs/dbraw/zinc/64/05/22/554640522.db2.gz PVUKVNDIGLJWON-IZPIQJOWSA-N 0 1 562.626 4.129 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111359 554641908 /nfs/dbraw/zinc/64/19/08/554641908.db2.gz IWNNBOZOHOTNLA-ZGQJUUMOSA-N 0 1 569.017 4.166 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111360 554641922 /nfs/dbraw/zinc/64/19/22/554641922.db2.gz IWNNBOZOHOTNLA-PCEYSVKOSA-N 0 1 569.017 4.166 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111362 554641892 /nfs/dbraw/zinc/64/18/92/554641892.db2.gz IWNNBOZOHOTNLA-GURVGDRESA-N 0 1 569.017 4.166 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111364 554641886 /nfs/dbraw/zinc/64/18/86/554641886.db2.gz IWNNBOZOHOTNLA-XZSHTLEFSA-N 0 1 569.017 4.166 50 0 KIAAMN Cn1nccc1C(=O)Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101161945 554659965 /nfs/dbraw/zinc/65/99/65/554659965.db2.gz DZKDLLHIHSJKOT-SDHSZQHLSA-N 0 1 528.952 4.344 50 0 KIAAMN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)cc12 ZINC000101192452 554670831 /nfs/dbraw/zinc/67/08/31/554670831.db2.gz UXWFJTSFGDIKGJ-UHFFFAOYSA-N 0 1 542.728 4.186 50 0 KIAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000101193831 554671587 /nfs/dbraw/zinc/67/15/87/554671587.db2.gz KPZJSMMTQZODKU-UHFFFAOYSA-N 0 1 565.166 4.059 50 0 KIAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101194164 554671499 /nfs/dbraw/zinc/67/14/99/554671499.db2.gz GDEBMACEGIKBHB-VWPQPMDRSA-N 0 1 513.319 4.354 50 0 KIAAMN CN(CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204164 554674239 /nfs/dbraw/zinc/67/42/39/554674239.db2.gz PDYMRDSGTMGWTR-FEAJSZFMSA-N 0 1 577.125 4.010 50 0 biogenic KIAAMN CN(CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204168 554674260 /nfs/dbraw/zinc/67/42/60/554674260.db2.gz PDYMRDSGTMGWTR-VXRLQYQGSA-N 0 1 577.125 4.010 50 0 biogenic KIAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000101211531 554679479 /nfs/dbraw/zinc/67/94/79/554679479.db2.gz GDRJJHSRUREXAI-PFBJBMPXSA-N 0 1 538.560 4.007 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1Cl ZINC000101216221 554682846 /nfs/dbraw/zinc/68/28/46/554682846.db2.gz MYTFQUAUPWMONO-JOCHJYFZSA-N 0 1 608.990 4.080 50 0 KIAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1Cl ZINC000101216226 554682934 /nfs/dbraw/zinc/68/29/34/554682934.db2.gz MYTFQUAUPWMONO-QFIPXVFZSA-N 0 1 608.990 4.080 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101216451 554683650 /nfs/dbraw/zinc/68/36/50/554683650.db2.gz YVQLYDVLVHKSCZ-RUZDIDTESA-N 0 1 558.148 4.097 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101216455 554683684 /nfs/dbraw/zinc/68/36/84/554683684.db2.gz YVQLYDVLVHKSCZ-VWLOTQADSA-N 0 1 558.148 4.097 50 0 KIAAMN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216598 554684168 /nfs/dbraw/zinc/68/41/68/554684168.db2.gz WOPCQXPPKWGFNG-PMERELPUSA-N 0 1 629.783 4.021 50 0 KIAAMN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216603 554684296 /nfs/dbraw/zinc/68/42/96/554684296.db2.gz WOPCQXPPKWGFNG-SSEXGKCCSA-N 0 1 629.783 4.021 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101216644 554684218 /nfs/dbraw/zinc/68/42/18/554684218.db2.gz DVCUQWDSQYDESW-RUZDIDTESA-N 0 1 558.148 4.097 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101216650 554684326 /nfs/dbraw/zinc/68/43/26/554684326.db2.gz DVCUQWDSQYDESW-VWLOTQADSA-N 0 1 558.148 4.097 50 0 KIAAMN CN1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254918 554695810 /nfs/dbraw/zinc/69/58/10/554695810.db2.gz SGZKCOHKIXWUJP-JOCHJYFZSA-N 0 1 578.964 4.071 50 0 KIAAMN CN1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254921 554695892 /nfs/dbraw/zinc/69/58/92/554695892.db2.gz SGZKCOHKIXWUJP-QFIPXVFZSA-N 0 1 578.964 4.071 50 0 KIAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254999 554696129 /nfs/dbraw/zinc/69/61/29/554696129.db2.gz XJHRUPOIPFKVST-SSEXGKCCSA-N 0 1 601.773 4.243 50 0 KIAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255001 554696089 /nfs/dbraw/zinc/69/60/89/554696089.db2.gz XJHRUPOIPFKVST-PMERELPUSA-N 0 1 601.773 4.243 50 0 KIAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255022 554696104 /nfs/dbraw/zinc/69/61/04/554696104.db2.gz WVTUNMVRPPYFNK-GDLZYMKVSA-N 0 1 589.737 4.373 50 0 KIAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255024 554696124 /nfs/dbraw/zinc/69/61/24/554696124.db2.gz WVTUNMVRPPYFNK-LJAQVGFWSA-N 0 1 589.737 4.373 50 0 KIAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255117 554696213 /nfs/dbraw/zinc/69/62/13/554696213.db2.gz MYOFLYAGCCSJFZ-LJAQVGFWSA-N 0 1 589.737 4.373 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255120 554696552 /nfs/dbraw/zinc/69/65/52/554696552.db2.gz MYOFLYAGCCSJFZ-GDLZYMKVSA-N 0 1 589.737 4.373 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101255375 554696536 /nfs/dbraw/zinc/69/65/36/554696536.db2.gz SRTWTDPZJNGNCL-AREMUKBSSA-N 0 1 569.797 4.166 50 0 KIAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000101255380 554696474 /nfs/dbraw/zinc/69/64/74/554696474.db2.gz SRTWTDPZJNGNCL-SANMLTNESA-N 0 1 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554789270 /nfs/dbraw/zinc/78/92/70/554789270.db2.gz ONXUJEBNLUXEGI-PXFJVXAFSA-N 0 1 568.033 4.256 50 0 KIAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1 ZINC000101503028 554789169 /nfs/dbraw/zinc/78/91/69/554789169.db2.gz ONXUJEBNLUXEGI-BCVXLEMTSA-N 0 1 568.033 4.256 50 0 KIAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000101511689 554792923 /nfs/dbraw/zinc/79/29/23/554792923.db2.gz WFEWGMFYCRMHBR-UHFFFAOYSA-N 0 1 548.362 4.115 50 0 KIAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)cc1Cl ZINC000101511767 554792885 /nfs/dbraw/zinc/79/28/85/554792885.db2.gz BRQFDBXSOXQNIZ-UHFFFAOYSA-N 0 1 533.937 4.014 50 0 KIAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1Cl ZINC000101511771 554792842 /nfs/dbraw/zinc/79/28/42/554792842.db2.gz LLUQBTUCBITKMP-UHFFFAOYSA-N 0 1 533.937 4.014 50 0 KIAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[nH]c2=O)cc1 ZINC000101511867 554793121 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CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101592546 554803076 /nfs/dbraw/zinc/80/30/76/554803076.db2.gz XZAAUWRCFUWEIW-PXFJVXAFSA-N 0 1 569.017 4.223 50 0 KIAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101592551 554803145 /nfs/dbraw/zinc/80/31/45/554803145.db2.gz XZAAUWRCFUWEIW-BCVXLEMTSA-N 0 1 569.017 4.223 50 0 KIAAMN CC(=O)c1ccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)CC2)cc1 ZINC000101621846 554809555 /nfs/dbraw/zinc/80/95/55/554809555.db2.gz XNBQIAFRSBHZLZ-UHFFFAOYSA-N 0 1 563.724 4.007 50 0 KIAAMN CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccc(OCC)c(OCC)c4)c(=O)c3c2)cc1 ZINC000101630187 554811689 /nfs/dbraw/zinc/81/16/89/554811689.db2.gz YYUKAMONXBIDMA-UHFFFAOYSA-N 0 1 579.675 4.498 50 0 KIAAMN O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000101632361 554811975 /nfs/dbraw/zinc/81/19/75/554811975.db2.gz HJMYCIKHYFEHBW-VFCFBJKWSA-N 0 1 532.591 4.060 50 0 KIAAMN O=C(COc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCCCC3)o1)C(=O)CO2 ZINC000101636177 554812913 /nfs/dbraw/zinc/81/29/13/554812913.db2.gz ZBIUYEIXLTUFOU-UHFFFAOYSA-N 0 1 552.027 4.336 50 0 KIAAMN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCCN4CCCCC4)o2)C(=O)CO3)c1 ZINC000101636248 554812892 /nfs/dbraw/zinc/81/28/92/554812892.db2.gz CFIHWJQWVMIXFX-UHFFFAOYSA-N 0 1 545.636 4.245 50 0 KIAAMN COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101685024 554829508 /nfs/dbraw/zinc/82/95/08/554829508.db2.gz FKCLVFVBEBDISF-UHFFFAOYSA-N 0 1 530.599 4.102 50 0 KIAAMN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)NCC4(N5CCOCC5)CCCCCC4)CC3)c2C1=O ZINC000101752705 554835500 /nfs/dbraw/zinc/83/55/00/554835500.db2.gz WEUSOIVTPQYESN-QFIPXVFZSA-N 0 1 579.767 4.258 50 0 KIAAMN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)NCC4(N5CCOCC5)CCCCCC4)CC3)c2C1=O ZINC000101752709 554835529 /nfs/dbraw/zinc/83/55/29/554835529.db2.gz 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CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000104111320 571374073 /nfs/dbraw/zinc/37/40/73/571374073.db2.gz YAONODVEIISWDZ-SCNFEJEJSA-N 0 1 567.642 4.289 50 0 KIAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000104111334 571374131 /nfs/dbraw/zinc/37/41/31/571374131.db2.gz YAONODVEIISWDZ-HUVBXKCFSA-N 0 1 567.642 4.289 50 0 KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000104821971 571386469 /nfs/dbraw/zinc/38/64/69/571386469.db2.gz TXAPGBAUFDPOSG-ALMDLERYSA-N 0 1 507.590 4.408 50 0 KIAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000104821990 571386599 /nfs/dbraw/zinc/38/65/99/571386599.db2.gz GPMILASLXAYRTN-APVDNHQMSA-N 0 1 507.590 4.408 50 0 KIAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000104984879 571388672 /nfs/dbraw/zinc/38/86/72/571388672.db2.gz WUEXAOZTKFVTOH-UKILVPOCSA-N 0 1 504.583 4.167 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000105002886 571389025 /nfs/dbraw/zinc/38/90/25/571389025.db2.gz POQNMWMWIPHREA-SQJMNOBHSA-N 0 1 504.693 4.007 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000105002904 571389019 /nfs/dbraw/zinc/38/90/19/571389019.db2.gz RJFMPNNVDBXCAH-AZGAKELHSA-N 0 1 508.684 4.461 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000105004920 571389137 /nfs/dbraw/zinc/38/91/37/571389137.db2.gz LXOJYNQVJHHLPT-UKILVPOCSA-N 0 1 524.683 4.161 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000105004987 571389197 /nfs/dbraw/zinc/38/91/97/571389197.db2.gz HLXWXFBESWLDCV-SQJMNOBHSA-N 0 1 516.635 4.275 50 0 KIAAMN O=C(Nc1ccc(N2CCC[N@H+](C[C@@H](O)COCc3ccco3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000105032647 571390000 /nfs/dbraw/zinc/39/00/00/571390000.db2.gz BEPDAEBACFQSBB-JOCHJYFZSA-N 0 1 518.536 4.036 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000105060340 571390709 /nfs/dbraw/zinc/39/07/09/571390709.db2.gz GFPNVRUITGINDD-PIKZIKFNSA-N 0 1 505.659 4.445 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060442 571390754 /nfs/dbraw/zinc/39/07/54/571390754.db2.gz JHIRAXCFJFOOGW-PIKZIKFNSA-N 0 1 531.678 4.496 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060723 571390680 /nfs/dbraw/zinc/39/06/80/571390680.db2.gz MQQKNYPCXMMLED-HRFSGMKKSA-N 0 1 517.651 4.106 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000105061311 571390989 /nfs/dbraw/zinc/39/09/89/571390989.db2.gz GULQGEAZBYHNJZ-DFHRPNOPSA-N 0 1 503.668 4.142 50 0 KIAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000105061437 571391046 /nfs/dbraw/zinc/39/10/46/571391046.db2.gz VGEXOGXIAHRGMT-WHLCRQNOSA-N 0 1 535.641 4.327 50 0 KIAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061533 571391041 /nfs/dbraw/zinc/39/10/41/571391041.db2.gz IFHWSOGJJCARTE-AMGIVPHBSA-N 0 1 523.724 4.316 50 0 KIAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000105062162 571391010 /nfs/dbraw/zinc/39/10/10/571391010.db2.gz WLWFIFVPRGEBMO-NFQMXDRXSA-N 0 1 527.687 4.146 50 0 KIAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106535707 571412902 /nfs/dbraw/zinc/41/29/02/571412902.db2.gz DKZLILOJMLTBJU-VEAWFHDZSA-N 0 1 512.537 4.405 50 0 KIAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000107176723 571419777 /nfs/dbraw/zinc/41/97/77/571419777.db2.gz BGHVDJNBCWPPKQ-HCWCBTOOSA-N 0 1 503.908 4.407 50 0 KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000108447506 571423788 /nfs/dbraw/zinc/42/37/88/571423788.db2.gz LRFXIVRRTNFBKM-KRWDZBQOSA-N 0 1 539.496 4.228 50 0 biogenic KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000108447508 571423795 /nfs/dbraw/zinc/42/37/95/571423795.db2.gz LRFXIVRRTNFBKM-QGZVFWFLSA-N 0 1 539.496 4.228 50 0 biogenic KIAAMN CCN1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449059 571424522 /nfs/dbraw/zinc/42/45/22/571424522.db2.gz FTQODULAWMAJLG-KHGZIGHDSA-N 0 1 608.780 4.290 50 0 biogenic KIAAMN CCN1CCC[C@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449062 571424512 /nfs/dbraw/zinc/42/45/12/571424512.db2.gz FTQODULAWMAJLG-WSHBGFIESA-N 0 1 608.780 4.290 50 0 biogenic KIAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449694 571424853 /nfs/dbraw/zinc/42/48/53/571424853.db2.gz HFAOQNPXYHYLQK-ZTOMLWHTSA-N 0 1 628.770 4.444 50 0 biogenic KIAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cccc(-c4nnc[nH]4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450325 571425144 /nfs/dbraw/zinc/42/51/44/571425144.db2.gz UARXPIQEMKTBDA-VWLOTQADSA-N 0 1 612.687 4.479 50 0 biogenic KIAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450530 193926088 /nfs/dbraw/zinc/92/60/88/193926088.db2.gz CFEODYJCHRJFRS-NDEPHWFRSA-N 0 1 614.743 4.056 50 0 biogenic KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000108450839 571425431 /nfs/dbraw/zinc/42/54/31/571425431.db2.gz JSHLYBYUGKXOSN-INIZCTEOSA-N 0 1 525.469 4.185 50 0 biogenic KIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000108450841 571425543 /nfs/dbraw/zinc/42/55/43/571425543.db2.gz JSHLYBYUGKXOSN-MRXNPFEDSA-N 0 1 525.469 4.185 50 0 biogenic KIAAMN C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000108931054 571427658 /nfs/dbraw/zinc/42/76/58/571427658.db2.gz FDQZTPBXOTZOEQ-MJBXVCDLSA-N 0 1 533.405 4.114 50 0 KIAAMN C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000108931056 571427718 /nfs/dbraw/zinc/42/77/18/571427718.db2.gz FDQZTPBXOTZOEQ-MCIONIFRSA-N 0 1 533.405 4.114 50 0 KIAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000136620700 571449678 /nfs/dbraw/zinc/44/96/78/571449678.db2.gz HWDPFJYBEWFTIK-VKDGWMQASA-N 0 1 503.908 4.204 50 0 KIAAMN CC(=O)Oc1c(C)cc(OC[C@H](O)C[N@@H+](C[C@H](O)COc2cc(C)c(OC(C)=O)c(C)c2C)C(C)C)c(C)c1C ZINC000138586054 571451425 /nfs/dbraw/zinc/45/14/25/571451425.db2.gz HXGOATCEUNDBBC-MKPDMIMOSA-N 0 1 559.700 4.278 50 0 KIAAMN CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 ZINC000139929867 571454290 /nfs/dbraw/zinc/45/42/90/571454290.db2.gz PWDLXPJQFNVTNL-UHFFFAOYSA-N 0 1 501.513 4.261 50 0 in-vitro KIAAMN Fc1ccc2[nH]ccc2c1-c1nc2cc(CN3CCN(CC4CC4)CC3)sc2c(N2CCOCC2)n1 ZINC000144899724 571456482 /nfs/dbraw/zinc/45/64/82/571456482.db2.gz YDNOHCOYQVZOMC-UHFFFAOYSA-N 0 1 506.651 4.343 50 0 in-vitro KIAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)C2=O)c1 ZINC000150386670 571469493 /nfs/dbraw/zinc/46/94/93/571469493.db2.gz IPCZVESJLXUHOH-IADYIPOJSA-N 0 1 688.784 4.465 50 0 KIAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390579 571472843 /nfs/dbraw/zinc/47/28/43/571472843.db2.gz DXZXXARRGIATGD-WJOKGBTCSA-N 0 1 643.810 4.411 50 0 KIAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390580 571472901 /nfs/dbraw/zinc/47/29/01/571472901.db2.gz DXZXXARRGIATGD-HKBQPEDESA-N 0 1 643.810 4.411 50 0 KIAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390582 571472838 /nfs/dbraw/zinc/47/28/38/571472838.db2.gz JHQIALRVKWPAGN-WJOKGBTCSA-N 0 1 643.810 4.411 50 0 KIAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390584 571472794 /nfs/dbraw/zinc/47/27/94/571472794.db2.gz JHQIALRVKWPAGN-HKBQPEDESA-N 0 1 643.810 4.411 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414298 571485007 /nfs/dbraw/zinc/48/50/07/571485007.db2.gz UHQRFEHZKJWIPE-HKBQPEDESA-N 0 1 643.810 4.411 50 0 KIAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414302 571484864 /nfs/dbraw/zinc/48/48/64/571484864.db2.gz UHQRFEHZKJWIPE-WJOKGBTCSA-N 0 1 643.810 4.411 50 0 KIAAMN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418583 571486693 /nfs/dbraw/zinc/48/66/93/571486693.db2.gz URHCWROENAHTPT-HKBQPEDESA-N 0 1 643.810 4.411 50 0 KIAAMN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418583 571486692 /nfs/dbraw/zinc/48/66/92/571486692.db2.gz URHCWROENAHTPT-HKBQPEDESA-N 0 1 643.810 4.411 50 0 KIAAMN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418590 571486676 /nfs/dbraw/zinc/48/66/76/571486676.db2.gz URHCWROENAHTPT-WJOKGBTCSA-N 0 1 643.810 4.411 50 0 KIAAMN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418590 571486675 /nfs/dbraw/zinc/48/66/75/571486675.db2.gz URHCWROENAHTPT-WJOKGBTCSA-N 0 1 643.810 4.411 50 0 KIAAMN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150432980 571494538 /nfs/dbraw/zinc/49/45/38/571494538.db2.gz BXOLRSWMKZDYON-UHFFFAOYSA-N 0 1 696.211 4.423 50 0 KIAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000150438340 571496985 /nfs/dbraw/zinc/49/69/85/571496985.db2.gz UPVSWHBOMYMTBE-UHFFFAOYSA-N 0 1 671.842 4.216 50 0 KIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 ZINC000150447358 571501348 /nfs/dbraw/zinc/50/13/48/571501348.db2.gz OQVNIXPMQVWTJY-UHFFFAOYSA-N 0 1 647.735 4.347 50 0 KIAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2Cl)cc1Br ZINC000150453720 571503765 /nfs/dbraw/zinc/50/37/65/571503765.db2.gz ZSZQUGLBITZNAZ-UHFFFAOYSA-N 0 1 674.979 4.380 50 0 KIAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@@]32c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000169620681 571554406 /nfs/dbraw/zinc/55/44/06/571554406.db2.gz QXDXCFYVNWKEGW-YXMNTCDSSA-N 0 1 545.636 4.107 50 0 KIAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677603 571555040 /nfs/dbraw/zinc/55/50/40/571555040.db2.gz ZBCQQZFUUBIYLQ-PXJZQJOASA-N 0 1 503.618 4.065 50 0 KIAAMN COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677605 571555048 /nfs/dbraw/zinc/55/50/48/571555048.db2.gz ZBCQQZFUUBIYLQ-YTMVLYRLSA-N 0 1 503.618 4.065 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000169678352 571555550 /nfs/dbraw/zinc/55/55/50/571555550.db2.gz HLXWXFBESWLDCV-PXDATVDWSA-N 0 1 516.635 4.275 50 0 KIAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CN1CCOCC1 ZINC000169678882 571556107 /nfs/dbraw/zinc/55/61/07/571556107.db2.gz ACXDRPGALHLUCP-RDGATRHJSA-N 0 1 508.663 4.275 50 0 KIAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CN1CCOCC1 ZINC000169678883 571556094 /nfs/dbraw/zinc/55/60/94/571556094.db2.gz ACXDRPGALHLUCP-DHLKQENFSA-N 0 1 508.663 4.275 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680130 571556627 /nfs/dbraw/zinc/55/66/27/571556627.db2.gz LXOJYNQVJHHLPT-ILBGXUMGSA-N 0 1 524.683 4.161 50 0 KIAAMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680130 571556624 /nfs/dbraw/zinc/55/66/24/571556624.db2.gz LXOJYNQVJHHLPT-ILBGXUMGSA-N 0 1 524.683 4.161 50 0 KIAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680345 571556728 /nfs/dbraw/zinc/55/67/28/571556728.db2.gz POQNMWMWIPHREA-PXDATVDWSA-N 0 1 504.693 4.007 50 0 KIAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680345 571556727 /nfs/dbraw/zinc/55/67/27/571556727.db2.gz POQNMWMWIPHREA-PXDATVDWSA-N 0 1 504.693 4.007 50 0 KIAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169681042 571557425 /nfs/dbraw/zinc/55/74/25/571557425.db2.gz RJFMPNNVDBXCAH-AOYPEHQESA-N 0 1 508.684 4.461 50 0 KIAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169681749 571557568 /nfs/dbraw/zinc/55/75/68/571557568.db2.gz NWVAOZRFCFUSLD-VPUSJEBWSA-N 0 1 503.618 4.065 50 0 KIAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169681749 571557567 /nfs/dbraw/zinc/55/75/67/571557567.db2.gz NWVAOZRFCFUSLD-VPUSJEBWSA-N 0 1 503.618 4.065 50 0 KIAAMN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169681750 571557434 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CCOc1ccc(CCNC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc(C)oc2=O)cc1OCC ZINC000253471732 572289772 /nfs/dbraw/zinc/28/97/72/572289772.db2.gz YFSIRFYKSPFNLS-OAQYLSRUSA-N 0 1 555.624 4.358 50 0 KIAAMN CCCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000253500280 572294188 /nfs/dbraw/zinc/29/41/88/572294188.db2.gz RVVDXQKCGASQPS-GRDZGFKTSA-N 0 1 688.715 4.284 50 0 KIAAMN CCCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000253500282 572294143 /nfs/dbraw/zinc/29/41/43/572294143.db2.gz RVVDXQKCGASQPS-PDYFWAJUSA-N 0 1 688.715 4.284 50 0 KIAAMN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c(=O)c3c2)C1 ZINC000253531025 572298540 /nfs/dbraw/zinc/29/85/40/572298540.db2.gz MRCPBQBLPIOUTL-SFHLNBCPSA-N 0 1 527.643 4.021 50 0 KIAAMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c(=O)c3c2)C1 ZINC000253531026 572298511 /nfs/dbraw/zinc/29/85/11/572298511.db2.gz MRCPBQBLPIOUTL-SVFBPWRDSA-N 0 1 527.643 4.021 50 0 KIAAMN CC(=O)c1ccc(-c2ccc(C=c3[nH]c(=O)c(=Cc4ccc(-c5ccc(C(C)=O)cc5)o4)[nH]c3=O)o2)cc1 ZINC000253531797 572298959 /nfs/dbraw/zinc/29/89/59/572298959.db2.gz TUOIYNLJQDRFMI-UHFFFAOYSA-N 0 1 506.514 4.471 50 0 KIAAMN CCCCCCCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)[nH]c(=O)n2C ZINC000254874930 1064274240 /nfs/dbraw/zinc/27/42/40/1064274240.db2.gz SYQYLVKLFPFKMV-UHFFFAOYSA-N 0 1 505.417 4.413 50 0 KIAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc(CO)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585005 572116545 /nfs/dbraw/zinc/11/65/45/572116545.db2.gz DAIMFZWEFFKAGY-OZXSUGGESA-N 0 1 661.781 4.404 50 0 KIAAMN COc1ccc([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585648 572119394 /nfs/dbraw/zinc/11/93/94/572119394.db2.gz LBJOIXCICAPRQH-FQEVSTJZSA-N 0 1 506.555 4.042 50 0 KIAAMN COc1ccc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585649 572119341 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