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(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297606 291361822 /nfs/dbraw/zinc/36/18/22/291361822.db2.gz DSGMFMYGPAPRFK-JUXOCIIHSA-N 0 3 437.569 3.190 40 0 biogenic,in-vitro IGABHN COc1ccc(OC)c([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1 ZINC000035289927 524909018 /nfs/dbraw/zinc/90/90/18/524909018.db2.gz YHGLDWGFFFSRFM-JOCHJYFZSA-N 0 3 442.608 3.485 40 0 IGABHN O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)c([O-])cc1OCC(F)(F)F ZINC000021986208 526505983 /nfs/dbraw/zinc/50/59/83/526505983.db2.gz QUXZMOOURSXVFW-JTQLQIEISA-N 0 3 430.345 3.146 40 0 IGABHN CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)OC ZINC000008653630 556196864 /nfs/dbraw/zinc/19/68/64/556196864.db2.gz HIZPXEKYWKIHGU-KRWDZBQOSA-N 0 3 449.507 3.148 40 0 IGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1NC(C)=O ZINC000015360773 556523394 /nfs/dbraw/zinc/52/33/94/556523394.db2.gz MXDLLRJJKKDFBG-UHFFFAOYSA-N 0 3 431.558 3.118 40 0 IGABHN O=C1CCCN1CCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257335486 556706292 /nfs/dbraw/zinc/70/62/92/556706292.db2.gz YKIGMBHHWCRKLC-SANMLTNESA-N 0 3 438.568 3.484 40 0 IGABHN COc1c(C)cccc1CN1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019236010 556720394 /nfs/dbraw/zinc/72/03/94/556720394.db2.gz CEBBZELIDGYVRT-SFTDATJTSA-N 0 3 437.588 3.088 40 0 IGABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000880715 556732490 /nfs/dbraw/zinc/73/24/90/556732490.db2.gz HQWIRJIVOLGRTK-UHFFFAOYSA-N 0 3 440.569 3.306 40 0 IGABHN O=C1CCCN1c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332373 556737564 /nfs/dbraw/zinc/73/75/64/556737564.db2.gz ANQQANGNKUODFP-FCHUYYIVSA-N 0 3 440.515 3.337 40 0 IGABHN O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019403593 556754234 /nfs/dbraw/zinc/75/42/34/556754234.db2.gz ZKJDPGMDPBGRMP-OAQYLSRUSA-N 0 3 438.576 3.213 40 0 IGABHN CC(C)N1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448423 556758050 /nfs/dbraw/zinc/75/80/50/556758050.db2.gz KNMBFSVFPNUKTE-GOSISDBHSA-N 0 3 436.965 3.128 40 0 IGABHN Cc1cc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)s1 ZINC000019567999 556808174 /nfs/dbraw/zinc/80/81/74/556808174.db2.gz QMBVEMWBYRFWOT-PMACEKPBSA-N 0 3 427.618 3.495 40 0 IGABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000019577955 556815545 /nfs/dbraw/zinc/81/55/45/556815545.db2.gz YDFLKPXQKGZIFY-AREMUKBSSA-N 0 3 447.583 3.370 40 0 IGABHN COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCCN(C3CCOCC3)C1)nc2C ZINC000019743904 556889163 /nfs/dbraw/zinc/88/91/63/556889163.db2.gz VMXPAOWGPUGOSU-IBGZPJMESA-N 0 3 436.556 3.241 40 0 IGABHN COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2)CC1 ZINC000019754120 556897641 /nfs/dbraw/zinc/89/76/41/556897641.db2.gz NPNILDRRWRGKOY-UHFFFAOYSA-N 0 3 433.556 3.208 40 0 IGABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761708 556905198 /nfs/dbraw/zinc/90/51/98/556905198.db2.gz UMBXFHPSJFEXID-LJQANCHMSA-N 0 3 445.567 3.158 40 0 IGABHN Fc1ccccc1CN1CCC(c2cc(N3CCOCC3)nc(-c3cnccn3)n2)CC1 ZINC000072352940 556925394 /nfs/dbraw/zinc/92/53/94/556925394.db2.gz VKAVDIYFFZFCDU-UHFFFAOYSA-N 0 3 434.519 3.289 40 0 IGABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CCOCc3ccccc3)C2)cc1 ZINC000072356452 556931296 /nfs/dbraw/zinc/93/12/96/556931296.db2.gz OLWVZVHBGNGYEI-NRFANRHFSA-N 0 3 431.540 3.221 40 0 IGABHN Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)c4cccc(OCCN(C)C)c4)CC3)c2n1 ZINC000072373208 556945772 /nfs/dbraw/zinc/94/57/72/556945772.db2.gz NDSNADMGSYPEFM-UHFFFAOYSA-N 0 3 449.555 3.022 40 0 IGABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020082369 556978982 /nfs/dbraw/zinc/97/89/82/556978982.db2.gz UPMMZHMPCFECTR-NFBKMPQASA-N 0 3 447.587 3.062 40 0 IGABHN COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)c1 ZINC000020139844 556989168 /nfs/dbraw/zinc/98/91/68/556989168.db2.gz JVUOLQMWGMNYBG-NRFANRHFSA-N 0 3 428.581 3.095 40 0 IGABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3ccc(F)cc3[nH]1)CC2 ZINC000585261223 557194560 /nfs/dbraw/zinc/19/45/60/557194560.db2.gz QBFJRDMHGKIGDG-QFZRFWILSA-N 0 3 434.515 3.331 40 0 IGABHN C[C@@H](N)C(=O)N1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262949 557203356 /nfs/dbraw/zinc/20/33/56/557203356.db2.gz FPJPNRMDZXOSIS-MRXNPFEDSA-N 0 3 437.569 3.148 40 0 IGABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 ZINC000585274245 557218527 /nfs/dbraw/zinc/21/85/27/557218527.db2.gz XYOOBDZRZSVRBT-UHFFFAOYSA-N 0 3 440.584 3.112 40 0 IGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382258 557237082 /nfs/dbraw/zinc/23/70/82/557237082.db2.gz MATYFZSVPFNLFW-OHUMZHCVSA-N 0 3 425.479 3.112 40 0 biogenic,in-vitro IGABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000057774112 557264098 /nfs/dbraw/zinc/26/40/98/557264098.db2.gz JHIJIEKNFRRMCY-HOYKHHGWSA-N 0 3 427.545 3.205 40 0 IGABHN C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000224843706 557657759 /nfs/dbraw/zinc/65/77/59/557657759.db2.gz XEBCZOLSACRDJB-SFHVURJKSA-N 0 3 447.576 3.283 40 0 IGABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCCC[C@@H]3CC)cc2sc1=O ZINC000225732585 557770371 /nfs/dbraw/zinc/77/03/71/557770371.db2.gz SQACQSBUXCNRGB-INIZCTEOSA-N 0 3 425.620 3.406 40 0 IGABHN CCOc1ccc(CN2CCC[C@@H]([C@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000057774028 568625991 /nfs/dbraw/zinc/62/59/91/568625991.db2.gz JQVPKKZQZHOCJW-DVECYGJZSA-N 0 3 427.545 3.205 40 0 IGABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4c3)C2)CC1 ZINC000257221864 568675258 /nfs/dbraw/zinc/67/52/58/568675258.db2.gz DQVWYGCQJCPNKI-DEOSSOPVSA-N 0 3 446.595 3.307 40 0 IGABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000257224715 568676350 /nfs/dbraw/zinc/67/63/50/568676350.db2.gz FCZZTAJAONPHDB-GOSISDBHSA-N 0 3 436.581 3.146 40 0 IGABHN CN(CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1cccnc1 ZINC000257262861 568694760 /nfs/dbraw/zinc/69/47/60/568694760.db2.gz LNGNOCKUEMUBCD-UMFSSWHCSA-N 0 3 434.584 3.175 40 0 IGABHN CCCn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cnccn3)cc2oc1=O ZINC000257274729 568699658 /nfs/dbraw/zinc/69/96/58/568699658.db2.gz NMJQFXCIWLNVOD-DBXWQHBBSA-N 0 3 449.555 3.324 40 0 IGABHN CC1(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)CCN(Cc2ccccc2)CC1 ZINC000257336634 568727437 /nfs/dbraw/zinc/72/74/37/568727437.db2.gz YPHITJPBMKWEMC-QFIPXVFZSA-N 0 3 447.583 3.049 40 0 IGABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 ZINC000257338669 568728018 /nfs/dbraw/zinc/72/80/18/568728018.db2.gz YYKLGYLUMGGCPR-QGZVFWFLSA-N 0 3 441.557 3.362 40 0 IGABHN Cc1ncsc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123333 568762507 /nfs/dbraw/zinc/76/25/07/568762507.db2.gz AKLRLEFIBGKIBZ-SIKLNZKXSA-N 0 3 440.594 3.305 40 0 IGABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1N(Cc3ccoc3)CC[C@]1(c1ccccc1)CC2 ZINC000306141268 568771875 /nfs/dbraw/zinc/77/18/75/568771875.db2.gz VQIJEBGMADOFOU-OFVILXPXSA-N 0 3 431.540 3.312 40 0 IGABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1 ZINC000329043055 568810170 /nfs/dbraw/zinc/81/01/70/568810170.db2.gz SQKVVCNKONRXOI-UHFFFAOYSA-N 0 3 426.362 3.336 40 0 IGABHN CN(C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000248082785 569206946 /nfs/dbraw/zinc/20/69/46/569206946.db2.gz DBUFTYSXBLEBRN-FGZHOGPDSA-N 0 3 443.538 3.323 40 0 IGABHN C[C@H](C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1)N1CCCC1 ZINC000019700322 569231184 /nfs/dbraw/zinc/23/11/84/569231184.db2.gz NKDRFNXBVBIBRB-OAQYLSRUSA-N 0 3 448.611 3.472 40 0 IGABHN COc1ccc(CN2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cc1c(C)noc1C ZINC000019763434 569238087 /nfs/dbraw/zinc/23/80/87/569238087.db2.gz UXOQGPHXRYSVLE-LJQANCHMSA-N 0 3 449.555 3.468 40 0 IGABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4ccc(F)cc43)CC1)CCC[C@H]2O ZINC000067665271 569301934 /nfs/dbraw/zinc/30/19/34/569301934.db2.gz SVATZOFABXGUAB-LJQANCHMSA-N 0 3 426.492 3.081 40 0 in-vitro IGABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218621857 569458837 /nfs/dbraw/zinc/45/88/37/569458837.db2.gz JMWUNQBVJMMLDY-AOIWGVFYSA-N 0 3 428.337 3.441 40 0 IGABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccsc1 ZINC000008636245 569469592 /nfs/dbraw/zinc/46/95/92/569469592.db2.gz UPTTXDHMRVNACT-SXWKCWPCSA-N 0 3 439.629 3.402 40 0 biogenic,in-vitro IGABHN CN1CCC(N2CCC(O)(c3csc(CN4CCc5ccccc5C4)n3)CC2)CC1 ZINC000225473877 291356093 /nfs/dbraw/zinc/35/60/93/291356093.db2.gz OTUMYQCRGIVHFN-UHFFFAOYSA-N 0 3 426.630 3.079 40 0 biogenic,in-vitro IGABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)N2CCOCC2)C3)no1 ZINC000049171920 291360085 /nfs/dbraw/zinc/36/00/85/291360085.db2.gz PUNFEHLFLJRYFY-VXKWHMMOSA-N 0 3 436.556 3.446 40 0 biogenic,in-vitro IGABHN CC1CCN(Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)CC1 ZINC000020484137 521022980 /nfs/dbraw/zinc/02/29/80/521022980.db2.gz BBUGVTIBUZYWRX-UHFFFAOYSA-N 0 3 441.597 3.372 40 0 IGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000036719273 524765966 /nfs/dbraw/zinc/76/59/66/524765966.db2.gz QSCZLDJPSQOILF-JYFHCDHNSA-N 0 3 438.568 3.257 40 0 IGABHN COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000012707853 525477493 /nfs/dbraw/zinc/47/74/93/525477493.db2.gz LEOXRFPAWWWZRR-UHFFFAOYSA-N 0 3 434.540 3.344 40 0 IGABHN O=C(CCCN1CCC2(CC(=O)N(N3CCCCCC3)C2=O)CC1)c1ccc(F)cc1 ZINC000001641770 555707929 /nfs/dbraw/zinc/70/79/29/555707929.db2.gz ALGMMJAQGMCYIY-UHFFFAOYSA-N 0 3 429.536 3.421 40 0 IGABHN CCN(CC)CCOC(=O)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000008870231 556229651 /nfs/dbraw/zinc/22/96/51/556229651.db2.gz XUJZBMYNLLQJNK-OAQYLSRUSA-N 0 3 428.485 3.484 40 0 IGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086069 556699666 /nfs/dbraw/zinc/69/96/66/556699666.db2.gz QSCZLDJPSQOILF-ZEQKJWHPSA-N 0 3 438.568 3.257 40 0 IGABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245588 556711048 /nfs/dbraw/zinc/71/10/48/556711048.db2.gz IQFUZIGRUGSILI-OAQYLSRUSA-N 0 3 425.529 3.233 40 0 IGABHN O=C(Cc1ccsc1)N1C[C@@H]2CCCCN(Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC000019341916 556740278 /nfs/dbraw/zinc/74/02/78/556740278.db2.gz YEPGUDKQCGKHRM-FCHUYYIVSA-N 0 3 440.613 3.035 40 0 IGABHN CC[C@@H](C)NC(=O)CN1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc2C1=O ZINC000019499961 556771793 /nfs/dbraw/zinc/77/17/93/556771793.db2.gz AWXIDRYCALLDOE-HXUWFJFHSA-N 0 3 435.568 3.471 40 0 IGABHN CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[n-]1)CC[N@@H+](C(C)C)C3)CCCC2 ZINC000019524091 556781378 /nfs/dbraw/zinc/78/13/78/556781378.db2.gz KMPIYINPSJWKPV-FQEVSTJZSA-N 0 3 438.576 3.021 40 0 IGABHN CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[n-]1)CC[N@H+](C(C)C)C3)CCCC2 ZINC000019524091 556781380 /nfs/dbraw/zinc/78/13/80/556781380.db2.gz KMPIYINPSJWKPV-FQEVSTJZSA-N 0 3 438.576 3.021 40 0 IGABHN CCOc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019533402 556793354 /nfs/dbraw/zinc/79/33/54/556793354.db2.gz GPZLFRJZPXZARG-FGZHOGPDSA-N 0 3 437.588 3.216 40 0 IGABHN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556137 556798983 /nfs/dbraw/zinc/79/89/83/556798983.db2.gz LSKBLZOGCTWWSS-QVKFZJNVSA-N 0 3 440.592 3.385 40 0 IGABHN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556137 556798985 /nfs/dbraw/zinc/79/89/85/556798985.db2.gz LSKBLZOGCTWWSS-QVKFZJNVSA-N 0 3 440.592 3.385 40 0 IGABHN Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C4CC[NH+](C)CC4)n3)C2)s1 ZINC000019560403 556802132 /nfs/dbraw/zinc/80/21/32/556802132.db2.gz UJYJUJWRJWWWIC-QGZVFWFLSA-N 0 3 429.590 3.013 40 0 IGABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[n-]c(=O)c2C1 ZINC000019590241 556825396 /nfs/dbraw/zinc/82/53/96/556825396.db2.gz IAZIJRKNKBTROE-OAHLLOKOSA-N 0 3 437.569 3.119 40 0 IGABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[n-]c(=O)c2C1 ZINC000019590241 556825397 /nfs/dbraw/zinc/82/53/97/556825397.db2.gz IAZIJRKNKBTROE-OAHLLOKOSA-N 0 3 437.569 3.119 40 0 IGABHN O=C(Nc1ccccc1CN1CCCC1)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019748088 556892826 /nfs/dbraw/zinc/89/28/26/556892826.db2.gz SYYMBMHKIUVGPT-SFHVURJKSA-N 0 3 431.533 3.071 40 0 IGABHN COc1ccccc1CNC(=O)c1cncnc1CC1CCN(CC2=CCCOC2)CC1 ZINC000019757204 556901330 /nfs/dbraw/zinc/90/13/30/556901330.db2.gz DUBNKPNHLSFMLN-UHFFFAOYSA-N 0 3 436.556 3.016 40 0 IGABHN CN(CCO)C(=O)c1cc([C@@H]2CCN(Cc3c[nH]nc3C(C)(C)C)C2)nc2ccccc21 ZINC000019761934 556905840 /nfs/dbraw/zinc/90/58/40/556905840.db2.gz QKJMXRYTNGKHPA-QGZVFWFLSA-N 0 3 435.572 3.309 40 0 IGABHN Cc1nc([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763475 556908215 /nfs/dbraw/zinc/90/82/15/556908215.db2.gz CAMYTYOGSNQKON-QFIPXVFZSA-N 0 3 449.599 3.297 40 0 IGABHN CN(C)C(=O)c1ccc(C2CCN(Cc3cc4ccccc4nc3N(C)C)CC2)nc1N ZINC000019765922 556911153 /nfs/dbraw/zinc/91/11/53/556911153.db2.gz OGXRARQQLHQLQF-UHFFFAOYSA-N 0 3 432.572 3.359 40 0 IGABHN COC(=O)[C@]1(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340244 556912122 /nfs/dbraw/zinc/91/21/22/556912122.db2.gz JDOCYYZOHHZWOL-MUNBIWSKSA-N 0 3 426.557 3.331 40 0 IGABHN COC(=O)[C@]1(CC(=O)N2C[C@H](C)C[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340264 556912284 /nfs/dbraw/zinc/91/22/84/556912284.db2.gz UHLYUMFZFNWZRR-GXRLWRAUSA-N 0 3 426.557 3.046 40 0 IGABHN CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(CCc3ccccc3)CC2)o1 ZINC000072344895 556915770 /nfs/dbraw/zinc/91/57/70/556915770.db2.gz OGZMGUMEZRBTGV-HXUWFJFHSA-N 0 3 432.590 3.368 40 0 IGABHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000072347700 556918977 /nfs/dbraw/zinc/91/89/77/556918977.db2.gz SSPPWMOTHWSVFP-JOCHJYFZSA-N 0 3 437.588 3.038 40 0 IGABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000072371494 556939059 /nfs/dbraw/zinc/93/90/59/556939059.db2.gz XDBRDYJGBKDCKG-MRXNPFEDSA-N 0 3 428.487 3.155 40 0 IGABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000072371494 556939061 /nfs/dbraw/zinc/93/90/61/556939061.db2.gz XDBRDYJGBKDCKG-MRXNPFEDSA-N 0 3 428.487 3.155 40 0 IGABHN O=C(NC1CC2(C1)CCN(Cc1ccnc(N3CCOCC3)c1)CC2)OC1CCCC1 ZINC000585102886 557036767 /nfs/dbraw/zinc/03/67/67/557036767.db2.gz GOJGAYSBBDIGKV-UHFFFAOYSA-N 0 3 428.577 3.332 40 0 IGABHN O[C@H]1CCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585286902 557225544 /nfs/dbraw/zinc/22/55/44/557225544.db2.gz KCXAYCDQDSAJCI-IODBPXAYSA-N 0 3 447.522 3.230 40 0 IGABHN CCCCc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@H]2O)cc1 ZINC000585290310 557227228 /nfs/dbraw/zinc/22/72/28/557227228.db2.gz QGQMUPHBFJKWTN-NOZRDPDXSA-N 0 3 445.003 3.339 40 0 IGABHN CCOc1ccc(CN2CCC[C@H]([C@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000057774026 557263682 /nfs/dbraw/zinc/26/36/82/557263682.db2.gz JQVPKKZQZHOCJW-CYFREDJKSA-N 0 3 427.545 3.205 40 0 IGABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000057774116 557264051 /nfs/dbraw/zinc/26/40/51/557264051.db2.gz JHIJIEKNFRRMCY-KOSHJBKYSA-N 0 3 427.545 3.205 40 0 IGABHN Cc1ccc(C)c(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000113965266 557383551 /nfs/dbraw/zinc/38/35/51/557383551.db2.gz DSKXGNBPWZGSKP-UHFFFAOYSA-N 0 3 429.586 3.094 40 0 IGABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1cccnc1 ZINC000223256589 557451520 /nfs/dbraw/zinc/45/15/20/557451520.db2.gz OISSWFRBHRPMIA-XZOQPEGZSA-N 0 3 434.613 3.477 40 0 IGABHN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223292046 557456535 /nfs/dbraw/zinc/45/65/35/557456535.db2.gz QGKMZRUXMWVSJS-VXKWHMMOSA-N 0 3 449.580 3.193 40 0 IGABHN Clc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140780 557516051 /nfs/dbraw/zinc/51/60/51/557516051.db2.gz BMFJJYUOOXTTKS-LEWJYISDSA-N 0 3 430.984 3.155 40 0 IGABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1NC(C)=O ZINC000224804171 557653094 /nfs/dbraw/zinc/65/30/94/557653094.db2.gz UVERXLMDWLAVJL-UHFFFAOYSA-N 0 3 433.599 3.441 40 0 IGABHN C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224844485 557658025 /nfs/dbraw/zinc/65/80/25/557658025.db2.gz WYSLAGWSOKZBPE-SFHVURJKSA-N 0 3 447.576 3.283 40 0 IGABHN Cc1c(C(=O)NCc2ccccc2CN2CCCCC2)cccc1N(C)S(C)(=O)=O ZINC000224848308 557658378 /nfs/dbraw/zinc/65/83/78/557658378.db2.gz LFDDLVKZLVJNEW-UHFFFAOYSA-N 0 3 429.586 3.307 40 0 IGABHN Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ccc1N(C)S(C)(=O)=O ZINC000224848441 557658416 /nfs/dbraw/zinc/65/84/16/557658416.db2.gz UOASFESYUUNHJB-UHFFFAOYSA-N 0 3 429.586 3.307 40 0 IGABHN COc1cc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)ccc1OCC(N)=O ZINC000257231626 568679602 /nfs/dbraw/zinc/67/96/02/568679602.db2.gz GHNOJEBZHZTAMV-UHFFFAOYSA-N 0 3 447.539 3.473 40 0 IGABHN Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257341824 568729347 /nfs/dbraw/zinc/72/93/47/568729347.db2.gz ZMCSDVSXDGEPBF-GOSISDBHSA-N 0 3 448.527 3.269 40 0 IGABHN CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CN3CCCCCC3)ccc2c1N ZINC000257344857 568730425 /nfs/dbraw/zinc/73/04/25/568730425.db2.gz ZYXBIAZOKDOQGI-KRWDZBQOSA-N 0 3 429.590 3.168 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(Cl)c4)C[C@H]2C3)cc1 ZINC000306123531 568762725 /nfs/dbraw/zinc/76/27/25/568762725.db2.gz APMOHXDHJZWFFQ-SJORKVTESA-N 0 3 437.931 3.497 40 0 IGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129388 568765759 /nfs/dbraw/zinc/76/57/59/568765759.db2.gz IBSSISUPRXXHKY-BDYUSTAISA-N 0 3 442.563 3.491 40 0 IGABHN CCOc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000227305880 569183159 /nfs/dbraw/zinc/18/31/59/569183159.db2.gz JQVPKKZQZHOCJW-NTKDMRAZSA-N 0 3 427.545 3.205 40 0 IGABHN CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019458690 569226664 /nfs/dbraw/zinc/22/66/64/569226664.db2.gz BWLDJMQUHANBJD-AVIJNYRZSA-N 0 3 442.531 3.407 40 0 IGABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497855 569226830 /nfs/dbraw/zinc/22/68/30/569226830.db2.gz KZGJRDISBGFNIZ-KOSHJBKYSA-N 0 3 428.598 3.385 40 0 IGABHN CC(C)(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699872 569230915 /nfs/dbraw/zinc/23/09/15/569230915.db2.gz ZUVFQAUUTFOKII-HXUWFJFHSA-N 0 3 440.588 3.000 40 0 IGABHN COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)CN2CCCCCC2)cc1 ZINC000019713876 569235750 /nfs/dbraw/zinc/23/57/50/569235750.db2.gz ZBMISKLIDSZSNF-AKIFATBCSA-N 0 3 427.589 3.142 40 0 IGABHN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019739242 569236546 /nfs/dbraw/zinc/23/65/46/569236546.db2.gz IFJPZUNYFZEMHJ-QHCPKHFHSA-N 0 3 425.508 3.304 40 0 IGABHN Cc1nc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)N3CCCC3)cc2)ccc1C(N)=O ZINC000019700600 569327372 /nfs/dbraw/zinc/32/73/72/569327372.db2.gz SXUWUYHXAPYHFK-VWLOTQADSA-N 0 3 442.563 3.479 40 0 IGABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000008635642 291361654 /nfs/dbraw/zinc/36/16/54/291361654.db2.gz QRTVVQHFSZPXSX-WRALFONMSA-N 0 3 436.575 3.088 40 0 biogenic,in-vitro IGABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345804 519673128 /nfs/dbraw/zinc/67/31/28/519673128.db2.gz LAOOGHRXDHOGCD-QFIPXVFZSA-N 0 3 433.618 3.131 40 0 IGABHN COc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1 ZINC000036719538 525868610 /nfs/dbraw/zinc/86/86/10/525868610.db2.gz XERQPDOGPPSIMQ-XZOQPEGZSA-N 0 3 437.584 3.054 40 0 IGABHN COc1cc(C(=O)N2CCOC23CCN(Cc2ccccc2)CC3)cc(OC)c1OC ZINC000001726848 555710882 /nfs/dbraw/zinc/71/08/82/555710882.db2.gz NKOIZCPMZYPAAD-UHFFFAOYSA-N 0 3 426.513 3.177 40 0 IGABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000005986467 556071395 /nfs/dbraw/zinc/07/13/95/556071395.db2.gz VGEBQTXHXAHOKY-TZIWHRDSSA-N 0 3 447.560 3.491 40 0 IGABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(I)c1OCC(N)=O ZINC000036612912 556511388 /nfs/dbraw/zinc/51/13/88/556511388.db2.gz ZCGOLUYZZZLHOF-LBPRGKRZSA-N 0 3 440.281 3.015 40 0 IGABHN COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941930 556516317 /nfs/dbraw/zinc/51/63/17/556516317.db2.gz BQSUKJGRTGIHSW-IBGZPJMESA-N 0 3 427.520 3.443 40 0 IGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022157 556694005 /nfs/dbraw/zinc/69/40/05/556694005.db2.gz JQYYYIWQBBDJMZ-RTWAWAEBSA-N 0 3 426.513 3.038 40 0 IGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022383 556694179 /nfs/dbraw/zinc/69/41/79/556694179.db2.gz SHNUEUVSCLOXIN-FGZHOGPDSA-N 0 3 426.513 3.038 40 0 IGABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125198 556703252 /nfs/dbraw/zinc/70/32/52/556703252.db2.gz ZESWEVRIIIUSCH-SFTDATJTSA-N 0 3 425.525 3.459 40 0 IGABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448343 556757619 /nfs/dbraw/zinc/75/76/19/556757619.db2.gz RSGZFYSHCFIBBT-JOCHJYFZSA-N 0 3 437.588 3.311 40 0 IGABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448343 556757623 /nfs/dbraw/zinc/75/76/23/556757623.db2.gz RSGZFYSHCFIBBT-JOCHJYFZSA-N 0 3 437.588 3.311 40 0 IGABHN C[C@@H]1CCCN(CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)C1 ZINC000019496520 556769135 /nfs/dbraw/zinc/76/91/35/556769135.db2.gz MNQYEGKQWCPDKG-CQSZACIVSA-N 0 3 432.450 3.158 40 0 IGABHN COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549743 556794658 /nfs/dbraw/zinc/79/46/58/556794658.db2.gz VNJZXHFMDUHTNN-SFHVURJKSA-N 0 3 442.560 3.166 40 0 IGABHN COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549743 556794661 /nfs/dbraw/zinc/79/46/61/556794661.db2.gz VNJZXHFMDUHTNN-SFHVURJKSA-N 0 3 442.560 3.166 40 0 IGABHN COc1ccccc1C1(O)CCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1 ZINC000019569283 556809381 /nfs/dbraw/zinc/80/93/81/556809381.db2.gz FTCZTEATWGSFHL-UHFFFAOYSA-N 0 3 433.552 3.412 40 0 IGABHN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)ccc1F ZINC000019570773 556811096 /nfs/dbraw/zinc/81/10/96/556811096.db2.gz KJBPVTALNJDOMI-FQEVSTJZSA-N 0 3 448.564 3.312 40 0 IGABHN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)ccc1F ZINC000019570773 556811098 /nfs/dbraw/zinc/81/10/98/556811098.db2.gz KJBPVTALNJDOMI-FQEVSTJZSA-N 0 3 448.564 3.312 40 0 IGABHN COc1ccccc1OCC(=O)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000019571366 556811593 /nfs/dbraw/zinc/81/15/93/556811593.db2.gz XJGTYPLHZATFLP-NRFANRHFSA-N 0 3 439.556 3.050 40 0 IGABHN Cc1nc(CC2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc(N2CCCC2)n1 ZINC000019758721 556902415 /nfs/dbraw/zinc/90/24/15/556902415.db2.gz DTAFGHXSDMBDIG-UHFFFAOYSA-N 0 3 434.588 3.030 40 0 IGABHN Cc1nc([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763473 556908313 /nfs/dbraw/zinc/90/83/13/556908313.db2.gz CAMYTYOGSNQKON-JOCHJYFZSA-N 0 3 449.599 3.297 40 0 IGABHN Cc1cccc(C(=O)N2CCC3(C[C@H](CC(=O)NCCN(C)C)c4ccccc43)CC2)n1 ZINC000096052897 557166097 /nfs/dbraw/zinc/16/60/97/557166097.db2.gz CHDQOCGRMNWCEA-FQEVSTJZSA-N 0 3 434.584 3.119 40 0 IGABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144103 557171661 /nfs/dbraw/zinc/17/16/61/557171661.db2.gz PYLWKPLTXKGDOD-SANMLTNESA-N 0 3 447.583 3.450 40 0 IGABHN CCC(CC)C(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCN(CC)C3=O)CC1 ZINC000096144404 557172367 /nfs/dbraw/zinc/17/23/67/557172367.db2.gz LGEVULHFWBVYTF-VWLOTQADSA-N 0 3 426.605 3.181 40 0 IGABHN Cc1nc(-c2nc(C(=O)NCCN3CCCC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155163 557179393 /nfs/dbraw/zinc/17/93/93/557179393.db2.gz WYGCFOJCHMANLZ-UHFFFAOYSA-N 0 3 428.540 3.380 40 0 IGABHN O[C@H]1CCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585284937 557224388 /nfs/dbraw/zinc/22/43/88/557224388.db2.gz BCBJEBGWKZGYBW-UGZNWAIPSA-N 0 3 447.522 3.230 40 0 IGABHN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4)CC3)n2)c(OC)c1 ZINC000219404300 557242760 /nfs/dbraw/zinc/24/27/60/557242760.db2.gz IOELBIXDWCREFJ-UHFFFAOYSA-N 0 3 436.512 3.282 40 0 IGABHN CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773652 557265801 /nfs/dbraw/zinc/26/58/01/557265801.db2.gz MBLBQAFIDLVYMS-XZOQPEGZSA-N 0 3 437.584 3.111 40 0 IGABHN CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773656 557265808 /nfs/dbraw/zinc/26/58/08/557265808.db2.gz MBLBQAFIDLVYMS-PKTZIBPZSA-N 0 3 437.584 3.111 40 0 IGABHN COc1ccc(CCn2nnnc2[C@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1OC ZINC000022929977 557274721 /nfs/dbraw/zinc/27/47/21/557274721.db2.gz JTZZEVKLHRJYQM-QHCPKHFHSA-N 0 3 442.608 3.190 40 0 IGABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccncc1 ZINC000223256887 557451515 /nfs/dbraw/zinc/45/15/15/557451515.db2.gz MPUCZENGZXJUND-GOTSBHOMSA-N 0 3 434.613 3.477 40 0 IGABHN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223291358 557456230 /nfs/dbraw/zinc/45/62/30/557456230.db2.gz SDOIQXIGGONUQL-FGZHOGPDSA-N 0 3 449.580 3.193 40 0 IGABHN Cc1ccccc1N(CCCC(=O)NCCCN1CCc2ccccc2C1)S(C)(=O)=O ZINC000224138057 557565485 /nfs/dbraw/zinc/56/54/85/557565485.db2.gz VKNLDBYNTIDCRG-UHFFFAOYSA-N 0 3 443.613 3.106 40 0 IGABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)ccc21 ZINC000224852654 557659001 /nfs/dbraw/zinc/65/90/01/557659001.db2.gz ATRXMXFOYGLSPB-UHFFFAOYSA-N 0 3 441.597 3.450 40 0 IGABHN O=c1sc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc2n1Cc1ccccc1 ZINC000225744968 557772046 /nfs/dbraw/zinc/77/20/46/557772046.db2.gz ASWRJUGTMPBKJU-UHFFFAOYSA-N 0 3 445.610 3.266 40 0 IGABHN CSc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1NC(=O)C(C)C ZINC000225833307 557782923 /nfs/dbraw/zinc/78/29/23/557782923.db2.gz DENAQAUDQBGDSI-MRXNPFEDSA-N 0 3 427.636 3.403 40 0 IGABHN Cc1nc(C)c(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC4(CCOC4)CC3)C2)s1 ZINC000585109478 568616020 /nfs/dbraw/zinc/61/60/20/568616020.db2.gz SDNOOCOUKCWBAH-AQNXPRMDSA-N 0 3 433.618 3.016 40 0 IGABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H]2c2cncc(-n3ccnc3)n2)CC1 ZINC000257333754 568725909 /nfs/dbraw/zinc/72/59/09/568725909.db2.gz YCXOOINTFIJJSY-QFIPXVFZSA-N 0 3 448.546 3.420 40 0 IGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622035 568761659 /nfs/dbraw/zinc/76/16/59/568761659.db2.gz JMWUNQBVJMMLDY-LNLFQRSKSA-N 0 3 428.337 3.441 40 0 IGABHN O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(Cc3cccs3)CC1)COC2 ZINC000306129549 568765666 /nfs/dbraw/zinc/76/56/66/568765666.db2.gz IGSWKJBVCXEMOY-UHFFFAOYSA-N 0 3 429.590 3.215 40 0 IGABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(Cl)c3)CC1)COC2 ZINC000306136487 568769447 /nfs/dbraw/zinc/76/94/47/568769447.db2.gz PUUARUOBVIOXFU-INIZCTEOSA-N 0 3 431.968 3.272 40 0 IGABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136249 568769473 /nfs/dbraw/zinc/76/94/73/568769473.db2.gz POCBJZOMCURPJB-BDYUSTAISA-N 0 3 443.547 3.487 40 0 IGABHN CCc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137484 568770067 /nfs/dbraw/zinc/77/00/67/568770067.db2.gz QXMUHQAWHPXKMZ-VPUSJEBWSA-N 0 3 442.563 3.436 40 0 IGABHN CCc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137482 568770265 /nfs/dbraw/zinc/77/02/65/568770265.db2.gz QXMUHQAWHPXKMZ-AHKZPQOWSA-N 0 3 442.563 3.436 40 0 IGABHN CN(C)CCNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328981956 568808321 /nfs/dbraw/zinc/80/83/21/568808321.db2.gz GXBUXOYRNDLHLZ-UHFFFAOYSA-N 0 3 431.462 3.472 40 0 IGABHN CN(C)CCNc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070517 568811274 /nfs/dbraw/zinc/81/12/74/568811274.db2.gz ZHDKBDKRHPHNRG-UHFFFAOYSA-N 0 3 433.434 3.309 40 0 IGABHN CN(C)C[C@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000248082792 569206903 /nfs/dbraw/zinc/20/69/03/569206903.db2.gz DBUFTYSXBLEBRN-YADHBBJMSA-N 0 3 443.538 3.323 40 0 IGABHN CN(C)C[C@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000248106320 569207130 /nfs/dbraw/zinc/20/71/30/569207130.db2.gz IUKRCBTYOYTCNN-PKTZIBPZSA-N 0 3 425.548 3.184 40 0 IGABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000019694780 569229225 /nfs/dbraw/zinc/22/92/25/569229225.db2.gz IINDEGODMIBJBJ-LJQANCHMSA-N 0 3 449.530 3.316 40 0 IGABHN CC(=O)N1C[C@H](C(=O)Nc2ncc(-c3ccccc3)n2C)[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019699254 569230420 /nfs/dbraw/zinc/23/04/20/569230420.db2.gz HSTXIMNXCSIGIP-PKTZIBPZSA-N 0 3 445.567 3.349 40 0 IGABHN CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699471 569230558 /nfs/dbraw/zinc/23/05/58/569230558.db2.gz ATNIKOPIERNWDX-UHFFFAOYSA-N 0 3 440.588 3.000 40 0 IGABHN Cc1nn(C)cc1S(=O)(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C ZINC000019711730 569234870 /nfs/dbraw/zinc/23/48/70/569234870.db2.gz JWXNYWFNLAVRNR-PUHATCMVSA-N 0 3 430.618 3.367 40 0 IGABHN Cc1noc(C)c1COc1ccc(CN2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 ZINC000019763689 569238054 /nfs/dbraw/zinc/23/80/54/569238054.db2.gz OMLTYISUNYSEOJ-IBGZPJMESA-N 0 3 435.528 3.447 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218660794 569459015 /nfs/dbraw/zinc/45/90/15/569459015.db2.gz ZFRBBAVBSOTKFN-WOIUINJBSA-N 0 3 434.533 3.296 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218660866 569459017 /nfs/dbraw/zinc/45/90/17/569459017.db2.gz ZFRBBAVBSOTKFN-XQBPLPMBSA-N 0 3 434.533 3.296 40 0 IGABHN CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635401 291355758 /nfs/dbraw/zinc/35/57/58/291355758.db2.gz YESFSJXXGCGTRQ-TYPHKJRUSA-N 0 3 433.556 3.354 40 0 biogenic,in-vitro IGABHN CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 ZINC000036055842 519730663 /nfs/dbraw/zinc/73/06/63/519730663.db2.gz FXWWUJWKYUULRA-TWRVUUBYSA-N 0 3 429.586 3.229 40 0 IGABHN CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442648 520880547 /nfs/dbraw/zinc/88/05/47/520880547.db2.gz VAABRQRSPVXVNN-VABKMULXSA-N 0 3 439.604 3.139 40 0 biogenic,in-vitro IGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@@H]2O ZINC000019022400 556694239 /nfs/dbraw/zinc/69/42/39/556694239.db2.gz KMHGFBIUWBSCGT-VXKWHMMOSA-N 0 3 426.513 3.038 40 0 IGABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125187 556702901 /nfs/dbraw/zinc/70/29/01/556702901.db2.gz ZESWEVRIIIUSCH-NHCUHLMSSA-N 0 3 425.525 3.459 40 0 IGABHN COc1ccc(C)cc1CN1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019133583 556705024 /nfs/dbraw/zinc/70/50/24/556705024.db2.gz UMULEDJKCNZKJT-SFTDATJTSA-N 0 3 437.588 3.088 40 0 IGABHN CC(=O)N1CCc2cc([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219283 556713767 /nfs/dbraw/zinc/71/37/67/556713767.db2.gz HKWGJUCCEGLSEC-ZEQRLZLVSA-N 0 3 436.552 3.288 40 0 IGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)OC1 ZINC000575403729 556745909 /nfs/dbraw/zinc/74/59/09/556745909.db2.gz JZXVASXBJXFGIE-JOCHJYFZSA-N 0 3 435.568 3.089 40 0 IGABHN COc1ccccc1CN1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450128 556761050 /nfs/dbraw/zinc/76/10/50/556761050.db2.gz IKGOFXVTEGMJDS-SFTDATJTSA-N 0 3 437.588 3.216 40 0 IGABHN Cc1c(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2cccnc2)cnn1C ZINC000019553750 556797596 /nfs/dbraw/zinc/79/75/96/556797596.db2.gz LKPRSURGACAUEI-HJOGWXRNSA-N 0 3 433.531 3.393 40 0 IGABHN COc1c(CN2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577934 556815483 /nfs/dbraw/zinc/81/54/83/556815483.db2.gz FHEOIFBQAOCFRZ-SANMLTNESA-N 0 3 447.583 3.322 40 0 IGABHN COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N(C)CCN(C)C)c3C2)cc1 ZINC000019582491 556820361 /nfs/dbraw/zinc/82/03/61/556820361.db2.gz JZEMOPABBKVNEQ-UHFFFAOYSA-N 0 3 432.572 3.103 40 0 IGABHN CCCCNC(=S)N(CCN1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004162126 556820645 /nfs/dbraw/zinc/82/06/45/556820645.db2.gz FGVAJEGCVBEXSV-UHFFFAOYSA-N 0 3 430.618 3.499 40 0 IGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cn(C)nc2C)cc1OC ZINC000019583646 556821020 /nfs/dbraw/zinc/82/10/20/556821020.db2.gz NIGZQOHOVDLHKE-YADHBBJMSA-N 0 3 434.540 3.144 40 0 IGABHN Cc1nn(C)cc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019583888 556821391 /nfs/dbraw/zinc/82/13/91/556821391.db2.gz WUVBQCHVFQVCFQ-HJOGWXRNSA-N 0 3 433.531 3.393 40 0 IGABHN CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019741732 556884790 /nfs/dbraw/zinc/88/47/90/556884790.db2.gz HNLXPLKYMBKKOK-NRFANRHFSA-N 0 3 435.572 3.270 40 0 IGABHN O=C(Cn1cccc(C(=O)Nc2ccccc2CN2CCCC2)c1=O)NC1CCCCC1 ZINC000019750155 556894353 /nfs/dbraw/zinc/89/43/53/556894353.db2.gz BVWPHAYSMBROMN-UHFFFAOYSA-N 0 3 436.556 3.145 40 0 IGABHN O=C(CN1CCCC1)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761364 556904815 /nfs/dbraw/zinc/90/48/15/556904815.db2.gz CNQWLCCBMHGVLU-MRXNPFEDSA-N 0 3 435.553 3.355 40 0 IGABHN COc1cccc(CNC(=O)c2ccc(C3CCN(Cc4ccncc4)CC3)nc2N)c1 ZINC000019766360 556911611 /nfs/dbraw/zinc/91/16/11/556911611.db2.gz UDXJFWRKTBNONY-UHFFFAOYSA-N 0 3 431.540 3.377 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cc(OC)ccc1OC ZINC000019819179 556922119 /nfs/dbraw/zinc/92/21/19/556922119.db2.gz IWFDVEVFKMJWJZ-QGZVFWFLSA-N 0 3 442.443 3.282 40 0 IGABHN COc1ccc(NC(=O)CC2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 ZINC000019819475 556922902 /nfs/dbraw/zinc/92/29/02/556922902.db2.gz FSARQRYFRAJNDM-NRFANRHFSA-N 0 3 444.495 3.248 40 0 IGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)c(O)c(C)c4)C[C@H]32)c(OCC)n1 ZINC000072392654 556963965 /nfs/dbraw/zinc/96/39/65/556963965.db2.gz YSDIMBGDEAEIGI-MFSJNOQSSA-N 0 3 427.545 3.326 40 0 IGABHN COc1cc2c(cc1CN1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)CCC2 ZINC000072394967 556966369 /nfs/dbraw/zinc/96/63/69/556966369.db2.gz WYFVYHHKDRPTBK-KMXBQNHCSA-N 0 3 435.568 3.176 40 0 IGABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398785 556970614 /nfs/dbraw/zinc/97/06/14/556970614.db2.gz LSKBLZOGCTWWSS-YCRPNKLZSA-N 0 3 440.592 3.385 40 0 IGABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398785 556970615 /nfs/dbraw/zinc/97/06/15/556970615.db2.gz LSKBLZOGCTWWSS-YCRPNKLZSA-N 0 3 440.592 3.385 40 0 IGABHN COc1ncc(CN2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)cc1C ZINC000585101993 557035514 /nfs/dbraw/zinc/03/55/14/557035514.db2.gz SOJYSVPNEWVRGV-LJQANCHMSA-N 0 3 437.531 3.275 40 0 IGABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096242214 557185970 /nfs/dbraw/zinc/18/59/70/557185970.db2.gz FLZCSIBVGGBFCC-IBGZPJMESA-N 0 3 425.598 3.477 40 0 IGABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)Nc2cccnc2C)Cn2ccnc23)cc1 ZINC000096243873 557188287 /nfs/dbraw/zinc/18/82/87/557188287.db2.gz XGMIAKXVTJIHJV-JOCHJYFZSA-N 0 3 431.540 3.424 40 0 IGABHN O[C@@]1(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287314 557224219 /nfs/dbraw/zinc/22/42/19/557224219.db2.gz MKOCUEIEBORZGA-DCEDVJGZSA-N 0 3 447.522 3.496 40 0 IGABHN COc1ccc(OC)c([C@@H](c2nnnn2CCC(C)C)N2CCN(C3CCCC3)CC2)c1 ZINC000022929838 557274233 /nfs/dbraw/zinc/27/42/33/557274233.db2.gz ZIGJDLSZTGHLLT-QHCPKHFHSA-N 0 3 442.608 3.386 40 0 IGABHN CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C2CCCC2)CC1 ZINC000019446895 557499367 /nfs/dbraw/zinc/49/93/67/557499367.db2.gz WUCCWZCMVQMUMF-FQEVSTJZSA-N 0 3 426.565 3.098 40 0 IGABHN COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)c1OC ZINC000020139816 557515765 /nfs/dbraw/zinc/51/57/65/557515765.db2.gz VNHPEFFCHZTJPT-FQEVSTJZSA-N 0 3 428.581 3.095 40 0 IGABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc21 ZINC000224803578 557653077 /nfs/dbraw/zinc/65/30/77/557653077.db2.gz FJPGPQUSOMRTPC-UHFFFAOYSA-N 0 3 427.570 3.060 40 0 IGABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)CC2 ZINC000257206265 568667864 /nfs/dbraw/zinc/66/78/64/568667864.db2.gz BCQMNNYRPVMQQR-YMVVMYQSSA-N 0 3 448.542 3.341 40 0 IGABHN Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)c1 ZINC000257305135 568713591 /nfs/dbraw/zinc/71/35/91/568713591.db2.gz SONYMVHJJNSGTH-HVJVJISESA-N 0 3 428.602 3.057 40 0 IGABHN Cc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257332162 568725162 /nfs/dbraw/zinc/72/51/62/568725162.db2.gz XVZVDQBEXNHMIG-KLJDGLGGSA-N 0 3 435.612 3.214 40 0 IGABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccoc3)CC1)CCN(Cc1ccccc1)C2 ZINC000306126075 568764238 /nfs/dbraw/zinc/76/42/38/568764238.db2.gz DLQSBHZCWOSKQA-UHFFFAOYSA-N 0 3 430.552 3.233 40 0 IGABHN CCc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)N[C@H](C)CC)n2C3)cc1 ZINC000306134318 568768483 /nfs/dbraw/zinc/76/84/83/568768483.db2.gz NIWDDFHDAMGQAP-GOSISDBHSA-N 0 3 425.577 3.181 40 0 IGABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000306141546 568772211 /nfs/dbraw/zinc/77/22/11/568772211.db2.gz VZWYQEZESZDXBZ-UHFFFAOYSA-N 0 3 435.503 3.250 40 0 IGABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000328980445 568808301 /nfs/dbraw/zinc/80/83/01/568808301.db2.gz GNPBPRYNVONGCK-UHFFFAOYSA-N 0 3 426.362 3.336 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccncc2)n1 ZINC000328998002 568808857 /nfs/dbraw/zinc/80/88/57/568808857.db2.gz JRDZOJKIBUFKTK-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN Cc1c(Br)cccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329013604 568809310 /nfs/dbraw/zinc/80/93/10/568809310.db2.gz MREQLTOMWHYWET-UHFFFAOYSA-N 0 3 427.350 3.170 40 0 IGABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000253616935 569209245 /nfs/dbraw/zinc/20/92/45/569209245.db2.gz UPMMZHMPCFECTR-NZQKXSOJSA-N 0 3 447.587 3.474 40 0 IGABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)CN2CCCCCC2)cc1 ZINC000019713204 569235544 /nfs/dbraw/zinc/23/55/44/569235544.db2.gz OWKXCGXYEREPIU-PKTZIBPZSA-N 0 3 427.589 3.443 40 0 IGABHN CN(C)c1cc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)nc([C@H]2CCCN2)n1 ZINC000019760081 569237586 /nfs/dbraw/zinc/23/75/86/569237586.db2.gz QJMWZUPNGMRINI-GOSISDBHSA-N 0 3 436.585 3.287 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218658218 569458972 /nfs/dbraw/zinc/45/89/72/569458972.db2.gz XNGNUZWPYJRASA-XQBPLPMBSA-N 0 3 434.533 3.296 40 0 IGABHN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1c[nH]c2ccccc12 ZINC000020463773 527679943 /nfs/dbraw/zinc/67/99/43/527679943.db2.gz MDSXLKYRMNOMNR-KUDLYRENSA-N 0 3 447.579 3.065 40 0 biogenic,in-vitro IGABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955514 556236501 /nfs/dbraw/zinc/23/65/01/556236501.db2.gz VGEBQTXHXAHOKY-FPOVZHCZSA-N 0 3 447.560 3.491 40 0 IGABHN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCN2CCCCCC2)cc1 ZINC000013679751 556556077 /nfs/dbraw/zinc/55/60/77/556556077.db2.gz ZJXFIANJCAWYAK-UHFFFAOYSA-N 0 3 447.576 3.398 40 0 IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022154 556694010 /nfs/dbraw/zinc/69/40/10/556694010.db2.gz NPBYOONDNRFLRE-LEWJYISDSA-N 0 3 444.503 3.177 40 0 IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022148 556694015 /nfs/dbraw/zinc/69/40/15/556694015.db2.gz NPBYOONDNRFLRE-NHCUHLMSSA-N 0 3 444.503 3.177 40 0 IGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@@H]2O ZINC000019022395 556694204 /nfs/dbraw/zinc/69/42/04/556694204.db2.gz KMHGFBIUWBSCGT-FCHUYYIVSA-N 0 3 426.513 3.038 40 0 IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219221 556713814 /nfs/dbraw/zinc/71/38/14/556713814.db2.gz WYPAEGFSYRESBY-FCHUYYIVSA-N 0 3 440.540 3.346 40 0 IGABHN Cc1cccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236232 556720814 /nfs/dbraw/zinc/72/08/14/556720814.db2.gz MLSMDERCUONELO-KRWDZBQOSA-N 0 3 449.580 3.113 40 0 IGABHN O=C(NCc1ccncc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372480 556749004 /nfs/dbraw/zinc/74/90/04/556749004.db2.gz RZDQJPVQFPKZTF-GOTSBHOMSA-N 0 3 442.567 3.004 40 0 IGABHN CCn1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)cn1 ZINC000019524867 556782447 /nfs/dbraw/zinc/78/24/47/556782447.db2.gz UBJJFRLIDXRAEC-OAQYLSRUSA-N 0 3 438.576 3.314 40 0 IGABHN CCn1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000019524867 556782451 /nfs/dbraw/zinc/78/24/51/556782451.db2.gz UBJJFRLIDXRAEC-OAQYLSRUSA-N 0 3 438.576 3.314 40 0 IGABHN CCn1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)cn1 ZINC000019524867 556782453 /nfs/dbraw/zinc/78/24/53/556782453.db2.gz UBJJFRLIDXRAEC-OAQYLSRUSA-N 0 3 438.576 3.314 40 0 IGABHN COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552759 556796562 /nfs/dbraw/zinc/79/65/62/556796562.db2.gz WVEGMWQZIWMNQN-QGZVFWFLSA-N 0 3 442.560 3.166 40 0 IGABHN COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552759 556796563 /nfs/dbraw/zinc/79/65/63/556796563.db2.gz WVEGMWQZIWMNQN-QGZVFWFLSA-N 0 3 442.560 3.166 40 0 IGABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000019572430 556812863 /nfs/dbraw/zinc/81/28/63/556812863.db2.gz YVDQOEFCNVEOHN-QHCPKHFHSA-N 0 3 430.545 3.361 40 0 IGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(C)c1C ZINC000019577259 556815438 /nfs/dbraw/zinc/81/54/38/556815438.db2.gz NZGNNYRCALWJEP-QRQCMCJISA-N 0 3 427.545 3.239 40 0 IGABHN COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1OC ZINC000019584753 556822060 /nfs/dbraw/zinc/82/20/60/556822060.db2.gz KKJUCUFXWNBAPF-UHFFFAOYSA-N 0 3 434.544 3.396 40 0 IGABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)CCCOc1cccc3cccnc31)C2 ZINC000019707496 556867423 /nfs/dbraw/zinc/86/74/23/556867423.db2.gz WEBCMDHTRGJYLI-LJQANCHMSA-N 0 3 446.555 3.235 40 0 IGABHN Cc1nc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019707809 556867684 /nfs/dbraw/zinc/86/76/84/556867684.db2.gz RNKUWTLELGRMEI-OAQYLSRUSA-N 0 3 448.615 3.181 40 0 IGABHN CNc1nc([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710484 556873384 /nfs/dbraw/zinc/87/33/84/556873384.db2.gz FEXKMFJAOZKFJX-SFHVURJKSA-N 0 3 432.572 3.294 40 0 IGABHN O=C(N[C@@H]1Cc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2C1)C1CCCC1 ZINC000019749606 556893940 /nfs/dbraw/zinc/89/39/40/556893940.db2.gz FTDCNMXEJFRMHK-JOCHJYFZSA-N 0 3 447.645 3.005 40 0 IGABHN COc1cccc(CNC(=O)c2ccc(C3CCN(Cc4cccnc4)CC3)nc2N)c1 ZINC000019754276 556897607 /nfs/dbraw/zinc/89/76/07/556897607.db2.gz PSPJNBYCJORAFG-UHFFFAOYSA-N 0 3 431.540 3.377 40 0 IGABHN Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C[C@H](C)Cc2ccc3c(c2)OCO3)CC4)no1 ZINC000072337116 556909803 /nfs/dbraw/zinc/90/98/03/556909803.db2.gz OVPHTSBKDOHQCO-CQSZACIVSA-N 0 3 447.495 3.364 40 0 IGABHN CCCOc1ccc([C@@H]2NC(N3CCc4ccccc4C3)=NC(=O)[C@H]2C(=O)OCC)cc1 ZINC000019817747 556920530 /nfs/dbraw/zinc/92/05/30/556920530.db2.gz SWQPSSZBTXBSRR-VXKWHMMOSA-N 0 3 435.524 3.240 40 0 IGABHN CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccc5nccnc5c4)C3)n2)ncn1 ZINC000072377996 556956684 /nfs/dbraw/zinc/95/66/84/556956684.db2.gz BHSWRNXDLFBOCS-QGZVFWFLSA-N 0 3 427.516 3.375 40 0 IGABHN CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3cccnc3)CC2)C1 ZINC000072380070 556957573 /nfs/dbraw/zinc/95/75/73/556957573.db2.gz FONKYFMPSDQGRQ-QHCPKHFHSA-N 0 3 434.584 3.118 40 0 IGABHN CCn1cc(S(=O)(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cn1 ZINC000072393410 556964820 /nfs/dbraw/zinc/96/48/20/556964820.db2.gz RDPCODXNWSWGQA-UHFFFAOYSA-N 0 3 437.009 3.421 40 0 IGABHN CCn1cc(CN2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c2ccc(F)cc21 ZINC000072395413 556967352 /nfs/dbraw/zinc/96/73/52/556967352.db2.gz GPOKGBXXENEKEI-VNOPPTIDSA-N 0 3 440.519 3.337 40 0 IGABHN Cc1nc(N)cc([C@@]2(C)CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)n1 ZINC000257251990 568689633 /nfs/dbraw/zinc/68/96/33/568689633.db2.gz JTDTZIOHOBRUDC-DEOSSOPVSA-N 0 3 439.579 3.341 40 0 IGABHN Cc1[nH]ncc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267851 568696675 /nfs/dbraw/zinc/69/66/75/568696675.db2.gz MJADYDNRAOSIFL-QHCPKHFHSA-N 0 3 446.979 3.424 40 0 IGABHN CC(=O)OCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 ZINC000257273746 568699504 /nfs/dbraw/zinc/69/95/04/568699504.db2.gz NIAXXOJTVMZTFJ-ONTIZHBOSA-N 0 3 428.479 3.344 40 0 IGABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc5c(c4)OCO5)CC2)CN(C)C3)cc1 ZINC000306134688 568768829 /nfs/dbraw/zinc/76/88/29/568768829.db2.gz NVHVIBZFTHKFIL-UHFFFAOYSA-N 0 3 447.539 3.119 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccn3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136776 568769674 /nfs/dbraw/zinc/76/96/74/568769674.db2.gz QCWKVVJTHYKBJW-DHLKQENFSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140732 568771806 /nfs/dbraw/zinc/77/18/06/568771806.db2.gz VCJXPADGJDBDSR-UPVQGACJSA-N 0 3 434.565 3.244 40 0 IGABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccsc3)CC1)CCN(Cc1cccnc1)C2 ZINC000306144152 568773706 /nfs/dbraw/zinc/77/37/06/568773706.db2.gz YXTWEAGANZFHKB-UHFFFAOYSA-N 0 3 447.608 3.097 40 0 IGABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000247875655 569206368 /nfs/dbraw/zinc/20/63/68/569206368.db2.gz GOBCVBYSUUZRQR-KWOQKUFVSA-N 0 3 439.556 3.347 40 0 IGABHN CN(C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000248106317 569207083 /nfs/dbraw/zinc/20/70/83/569207083.db2.gz IUKRCBTYOYTCNN-DHIUTWEWSA-N 0 3 425.548 3.184 40 0 IGABHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369979 569226679 /nfs/dbraw/zinc/22/66/79/569226679.db2.gz BHBSLIMPKSRXNY-FGZHOGPDSA-N 0 3 434.584 3.165 40 0 IGABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000019694781 569229305 /nfs/dbraw/zinc/22/93/05/569229305.db2.gz IINDEGODMIBJBJ-IBGZPJMESA-N 0 3 449.530 3.316 40 0 IGABHN COc1ccc(CN2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cc1Cn1nc(C)cc1C ZINC000019766611 569239455 /nfs/dbraw/zinc/23/94/55/569239455.db2.gz CPCNHZOOIULTMT-UHFFFAOYSA-N 0 3 448.571 3.134 40 0 IGABHN N[C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072379939 569250178 /nfs/dbraw/zinc/25/01/78/569250178.db2.gz QRKHCLUXEGXIEH-WIXQSORDSA-N 0 3 449.534 3.109 40 0 IGABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218623865 569458828 /nfs/dbraw/zinc/45/88/28/569458828.db2.gz NHXYXGLVSUDYEB-AOIWGVFYSA-N 0 3 428.337 3.441 40 0 IGABHN CN(C)CCCNc1nc(-c2ccccn2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329056083 569582832 /nfs/dbraw/zinc/58/28/32/569582832.db2.gz VQSUIPGOGLHLBZ-UHFFFAOYSA-N 0 3 435.429 3.898 40 0 IGABHN CC(C)CCN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225477156 291354200 /nfs/dbraw/zinc/35/42/00/291354200.db2.gz VGRFSWMXYNABBS-UHFFFAOYSA-N 0 3 429.634 3.190 40 0 biogenic,in-vitro IGABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(OC)cc2)C3)c(OCC)n1 ZINC000012181050 521611075 /nfs/dbraw/zinc/61/10/75/521611075.db2.gz BLVXPGFCLQDIDS-QRQCMCJISA-N 0 3 427.545 3.402 40 0 IGABHN Cc1nc([C@H]2CCCN(Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345580 527077116 /nfs/dbraw/zinc/07/71/16/527077116.db2.gz CPKRQHZKRVCWAT-NRFANRHFSA-N 0 3 438.572 3.424 40 0 IGABHN COc1ccc(/C=C\C(=O)OCCNCCOC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000031623664 556524765 /nfs/dbraw/zinc/52/47/65/556524765.db2.gz IMCXEISUSBYHNH-PVRNWPCDSA-N 0 3 425.481 3.106 40 0 IGABHN O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038831127 556621735 /nfs/dbraw/zinc/62/17/35/556621735.db2.gz NOKXIISQQMZZJR-QHCPKHFHSA-N 0 3 425.548 3.186 40 0 IGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022386 556694218 /nfs/dbraw/zinc/69/42/18/556694218.db2.gz SHNUEUVSCLOXIN-YADHBBJMSA-N 0 3 426.513 3.038 40 0 IGABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3nc(C)cc3C)cc2)cc1 ZINC000257229008 556708963 /nfs/dbraw/zinc/70/89/63/556708963.db2.gz FWFIBGLJCUGTJT-JOCHJYFZSA-N 0 3 439.556 3.459 40 0 IGABHN CC(=O)N1CCc2cc([C@H](O)CN3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219285 556713832 /nfs/dbraw/zinc/71/38/32/556713832.db2.gz HKWGJUCCEGLSEC-BJKOFHAPSA-N 0 3 436.552 3.288 40 0 IGABHN CN1CCN([C@H]2CC[C@](CNC(=O)CCc3ccccc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257292455 556716377 /nfs/dbraw/zinc/71/63/77/556716377.db2.gz QLNJUQCOPDBDGV-NSVAZKTRSA-N 0 3 449.639 3.224 40 0 IGABHN O=C(CN1C(=O)CSC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019332833 556737532 /nfs/dbraw/zinc/73/75/32/556737532.db2.gz ZJOYYVVWWOKOKS-UHFFFAOYSA-N 0 3 435.977 3.038 40 0 IGABHN CC(C)N(Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)o1)C(C)C ZINC000019447611 556756674 /nfs/dbraw/zinc/75/66/74/556756674.db2.gz PZBFITVVXAFIAH-UHFFFAOYSA-N 0 3 439.560 3.106 40 0 IGABHN COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019448337 556757524 /nfs/dbraw/zinc/75/75/24/556757524.db2.gz LHTDQQIMKLETMQ-OAQYLSRUSA-N 0 3 438.572 3.231 40 0 IGABHN COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019448337 556757527 /nfs/dbraw/zinc/75/75/27/556757527.db2.gz LHTDQQIMKLETMQ-OAQYLSRUSA-N 0 3 438.572 3.231 40 0 IGABHN COc1cccc2c1cc(C(=O)N1CCC[C@H]1c1nc3c(c(=O)[n-]1)CC[N@@H+](C(C)C)C3)n2C ZINC000019448399 556757933 /nfs/dbraw/zinc/75/79/33/556757933.db2.gz 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Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499218 569208602 /nfs/dbraw/zinc/20/86/02/569208602.db2.gz RDVJMIQJPVMQAV-SIKLNZKXSA-N 0 3 433.560 3.220 40 0 IGABHN Cc1nc([C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763227 569237902 /nfs/dbraw/zinc/23/79/02/569237902.db2.gz IBRKODBWAYEIGA-QFIPXVFZSA-N 0 3 449.599 3.493 40 0 IGABHN COc1ccc(CN2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1nc(C)cc1C ZINC000019763728 569238214 /nfs/dbraw/zinc/23/82/14/569238214.db2.gz CVXJILYJSPBYPH-FQEVSTJZSA-N 0 3 448.571 3.134 40 0 IGABHN Cc1nc(C2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)ncc1C(N)=O ZINC000019766601 569239463 /nfs/dbraw/zinc/23/94/63/569239463.db2.gz XVIQRIUCKAYJCN-UHFFFAOYSA-N 0 3 448.571 3.296 40 0 IGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c(OC)c1 ZINC000008768195 569290417 /nfs/dbraw/zinc/29/04/17/569290417.db2.gz WVDKNKYAZHNKRD-ZLNRFVROSA-N 0 3 446.459 3.461 40 0 IGABHN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NCc3ccc(F)cc3)CN(C)C(=O)C2)cc1 ZINC000096113450 291358766 /nfs/dbraw/zinc/35/87/66/291358766.db2.gz UHOZCPJQORIQDG-IFMALSPDSA-N 0 3 441.547 3.258 40 0 biogenic,in-vitro IGABHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccnc(-n2cnnc2)c1 ZINC000013568079 132350605 /nfs/dbraw/zinc/35/06/05/132350605.db2.gz UPARDCXYHLLWCJ-UHFFFAOYSA-N 0 3 439.523 3.237 40 0 IGABHN CCCN1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3-c2ccccc2C)CC1 ZINC000022918157 519858954 /nfs/dbraw/zinc/85/89/54/519858954.db2.gz ZGHTYFMNUIXYKK-UHFFFAOYSA-N 0 3 448.596 3.463 40 0 IGABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036719464 521119636 /nfs/dbraw/zinc/11/96/36/521119636.db2.gz KIMUWKWTVCEMJL-ZEQKJWHPSA-N 0 3 438.568 3.401 40 0 IGABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039759056 556441971 /nfs/dbraw/zinc/44/19/71/556441971.db2.gz LZTFFAQCULVDEA-UHFFFAOYSA-N 0 3 428.460 3.250 40 0 IGABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030939854 556515871 /nfs/dbraw/zinc/51/58/71/556515871.db2.gz WZGACAYMPOSIQK-LJQANCHMSA-N 0 3 425.504 3.149 40 0 IGABHN CN(C)CCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000013613278 556535000 /nfs/dbraw/zinc/53/50/00/556535000.db2.gz MEMWSFTZTWFKTG-UHFFFAOYSA-N 0 3 444.384 3.251 40 0 IGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022163 556693973 /nfs/dbraw/zinc/69/39/73/556693973.db2.gz JQYYYIWQBBDJMZ-SFTDATJTSA-N 0 3 426.513 3.038 40 0 IGABHN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000019081428 556696093 /nfs/dbraw/zinc/69/60/93/556696093.db2.gz CMYGCWMWTRZXBV-QHCPKHFHSA-N 0 3 437.584 3.424 40 0 IGABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4ccc(OCC(=O)N5CCCC5)cc4)C[C@H]32)nc1 ZINC000019216004 556711953 /nfs/dbraw/zinc/71/19/53/556711953.db2.gz HROVXNMBAIDLDF-SYVJQLTCSA-N 0 3 435.568 3.121 40 0 IGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219213 556713683 /nfs/dbraw/zinc/71/36/83/556713683.db2.gz WYPAEGFSYRESBY-YADHBBJMSA-N 0 3 440.540 3.346 40 0 IGABHN O=C(CN1CCC2(C1)CCCCC2)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019291988 556731628 /nfs/dbraw/zinc/73/16/28/556731628.db2.gz RKYOSHYDTYIATG-HXUWFJFHSA-N 0 3 426.605 3.332 40 0 IGABHN O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019343162 556740964 /nfs/dbraw/zinc/74/09/64/556740964.db2.gz VVCCBLJDDYFMTF-INIZCTEOSA-N 0 3 426.586 3.081 40 0 IGABHN O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019343162 556740967 /nfs/dbraw/zinc/74/09/67/556740967.db2.gz VVCCBLJDDYFMTF-INIZCTEOSA-N 0 3 426.586 3.081 40 0 IGABHN COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550112 556795164 /nfs/dbraw/zinc/79/51/64/556795164.db2.gz UXLPVHVXACPKKO-UHFFFAOYSA-N 0 3 428.439 3.043 40 0 IGABHN COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550112 556795167 /nfs/dbraw/zinc/79/51/67/556795167.db2.gz UXLPVHVXACPKKO-UHFFFAOYSA-N 0 3 428.439 3.043 40 0 IGABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C(C)C)CC2 ZINC000019571531 556811508 /nfs/dbraw/zinc/81/15/08/556811508.db2.gz QJXPFKSXBCESKQ-IBGZPJMESA-N 0 3 448.564 3.312 40 0 IGABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C(C)C)CC2 ZINC000019571531 556811510 /nfs/dbraw/zinc/81/15/10/556811510.db2.gz QJXPFKSXBCESKQ-IBGZPJMESA-N 0 3 448.564 3.312 40 0 IGABHN COc1ccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1C ZINC000019571396 556811698 /nfs/dbraw/zinc/81/16/98/556811698.db2.gz VQBIABOTKLMNPM-SFTDATJTSA-N 0 3 437.588 3.134 40 0 IGABHN COCCOc1cc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC ZINC000019593619 556829763 /nfs/dbraw/zinc/82/97/63/556829763.db2.gz RCTAZUXNNXVCAU-GOSISDBHSA-N 0 3 443.573 3.348 40 0 IGABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)C(C)(C)Oc1cccc(C)c1)CC2 ZINC000019711384 556875822 /nfs/dbraw/zinc/87/58/22/556875822.db2.gz ADPARXPPYYGNLP-UHFFFAOYSA-N 0 3 437.588 3.378 40 0 IGABHN CCn1cc(CN2CCC3(C[C@@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c(C)n1 ZINC000072325633 556902943 /nfs/dbraw/zinc/90/29/43/556902943.db2.gz PVQBOMNKRXQQLV-QFIPXVFZSA-N 0 3 429.952 3.172 40 0 IGABHN CCn1c2ccc(CN3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cc2n(CC)c1=O ZINC000019761746 556905291 /nfs/dbraw/zinc/90/52/91/556905291.db2.gz YWCREVNYQQPKIZ-GOSISDBHSA-N 0 3 443.551 3.479 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1OC ZINC000019819185 556922072 /nfs/dbraw/zinc/92/20/72/556922072.db2.gz INQBDDWFSXCZMU-KRWDZBQOSA-N 0 3 442.443 3.282 40 0 IGABHN CCN(CC)CC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371881 556941319 /nfs/dbraw/zinc/94/13/19/556941319.db2.gz RBOJCVNHYXTLGG-NRFANRHFSA-N 0 3 435.572 3.270 40 0 IGABHN COc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1OC ZINC000072395701 556968002 /nfs/dbraw/zinc/96/80/02/556968002.db2.gz LGLZYXGCQCPTLD-DOTOQJQBSA-N 0 3 425.455 3.495 40 0 IGABHN COc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1OC ZINC000072395698 556968100 /nfs/dbraw/zinc/96/81/00/556968100.db2.gz DJUCAYPKWACXSQ-MAUKXSAKSA-N 0 3 425.455 3.495 40 0 IGABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCN4CCOCC4)c3)CC2)cc1 ZINC000585281973 557221096 /nfs/dbraw/zinc/22/10/96/557221096.db2.gz WAFIDBMFKQHPMU-UHFFFAOYSA-N 0 3 440.584 3.112 40 0 IGABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1nccs1 ZINC000223257029 557451595 /nfs/dbraw/zinc/45/15/95/557451595.db2.gz IVPSQRMKMBXMDP-MOPGFXCFSA-N 0 3 426.615 3.480 40 0 IGABHN COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)c1OC ZINC000020139813 557515771 /nfs/dbraw/zinc/51/57/71/557515771.db2.gz VNHPEFFCHZTJPT-HXUWFJFHSA-N 0 3 428.581 3.095 40 0 IGABHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1N1CCCCS1(=O)=O ZINC000224400765 557602013 /nfs/dbraw/zinc/60/20/13/557602013.db2.gz JRVWJWJRJVWEAH-UHFFFAOYSA-N 0 3 441.597 3.103 40 0 IGABHN Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 ZINC000224820899 557655600 /nfs/dbraw/zinc/65/56/00/557655600.db2.gz GTNNXBQKZONYQJ-FQEVSTJZSA-N 0 3 443.613 3.452 40 0 IGABHN Cn1c2ccc(CN3C[C@@H](c4cccc(F)c4)[C@]4(C3)CCCCC(=O)N4)cc2n(C)c1=O ZINC000257205285 568667628 /nfs/dbraw/zinc/66/76/28/568667628.db2.gz AYJPWTKNFAOFNK-NBGIEHNGSA-N 0 3 436.531 3.045 40 0 IGABHN CC1(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)CCN(Cc2ccccc2)CC1 ZINC000257212940 568671195 /nfs/dbraw/zinc/67/11/95/568671195.db2.gz CFMZEEYBAOTGBH-QFIPXVFZSA-N 0 3 447.583 3.049 40 0 IGABHN CN1CCN(C(=O)c2cccc(-c3cncnc3)n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257228915 568678551 /nfs/dbraw/zinc/67/85/51/568678551.db2.gz FVVKEOZIOMZYGK-LJQANCHMSA-N 0 3 438.535 3.333 40 0 IGABHN CN(Cc1cccnc1)C(=O)c1nnc2n1CCCC21CCN(CCC(F)(F)F)CC1 ZINC000306124405 568763258 /nfs/dbraw/zinc/76/32/58/568763258.db2.gz BOVKKQPSWLQBPC-UHFFFAOYSA-N 0 3 436.482 3.025 40 0 IGABHN Cc1ccsc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126487 568764164 /nfs/dbraw/zinc/76/41/64/568764164.db2.gz DXLMVBOELGXHOX-QPPBQGQZSA-N 0 3 434.565 3.244 40 0 IGABHN Cn1cccc1CN1CCC(c2nc(CNC(=O)c3ccncc3)c3ccccn32)CC1 ZINC000306127838 568764900 /nfs/dbraw/zinc/76/49/00/568764900.db2.gz GITWZQIOIMNEQP-UHFFFAOYSA-N 0 3 428.540 3.377 40 0 IGABHN Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)c1 ZINC000306132668 568767470 /nfs/dbraw/zinc/76/74/70/568767470.db2.gz LOUOOSJMGKFYGZ-VWLOTQADSA-N 0 3 436.604 3.048 40 0 IGABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133942 568768231 /nfs/dbraw/zinc/76/82/31/568768231.db2.gz MZUVAXBPEAOBIO-DHLKQENFSA-N 0 3 447.587 3.094 40 0 IGABHN Cc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c(Br)c1 ZINC000329024011 568809707 /nfs/dbraw/zinc/80/97/07/568809707.db2.gz OXZWHIOLYLGWCX-UHFFFAOYSA-N 0 3 427.350 3.170 40 0 IGABHN COc1ccccc1N1CCN(C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000028632117 568864646 /nfs/dbraw/zinc/86/46/46/568864646.db2.gz CWCNAQXJPHLIRK-UHFFFAOYSA-N 0 3 425.573 3.499 40 0 IGABHN Cn1cc(CN2CC[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019702571 569232320 /nfs/dbraw/zinc/23/23/20/569232320.db2.gz QXCIUWVERZFSIF-INIZCTEOSA-N 0 3 434.565 3.500 40 0 IGABHN Cc1nc([C@H]2CCN(C(=O)CN3CCCCCC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757843 569237182 /nfs/dbraw/zinc/23/71/82/569237182.db2.gz OQAFOZZRLMERCC-SFHVURJKSA-N 0 3 439.535 3.368 40 0 IGABHN Cc1nc([C@@H]2CCN(C(=O)CN3CCCCCC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757840 569237266 /nfs/dbraw/zinc/23/72/66/569237266.db2.gz OQAFOZZRLMERCC-GOSISDBHSA-N 0 3 439.535 3.368 40 0 IGABHN COc1cc(CCNCc2cccc3c2OCO3)c(OC)cc1I ZINC000095705068 569374968 /nfs/dbraw/zinc/37/49/68/569374968.db2.gz NJNMIPDEUMTYNV-UHFFFAOYSA-N 0 3 441.265 3.369 40 0 in-vitro IGABHN CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C ZINC000013992215 569582830 /nfs/dbraw/zinc/58/28/30/569582830.db2.gz ZNFANKAQQAEWJI-UHFFFAOYSA-N 0 3 433.556 3.396 40 0 IGABHN Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCN(C5CCCCC5)CC4)nn32)cc1 ZINC000009831658 132329536 /nfs/dbraw/zinc/32/95/36/132329536.db2.gz IQXLKLYGSYOFHW-UHFFFAOYSA-N 0 3 447.587 3.459 40 0 IGABHN COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CCN(C3CCCC3)CC2)c1 ZINC000022929835 518158988 /nfs/dbraw/zinc/15/89/88/518158988.db2.gz ZIGJDLSZTGHLLT-HSZRJFAPSA-N 0 3 442.608 3.386 40 0 IGABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000072345802 519673034 /nfs/dbraw/zinc/67/30/34/519673034.db2.gz SESBLPBDPWORMC-QHCPKHFHSA-N 0 3 441.597 3.255 40 0 IGABHN CC1CCN(Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 ZINC000020491821 521023643 /nfs/dbraw/zinc/02/36/43/521023643.db2.gz MAOWLMOQEWOBDF-UHFFFAOYSA-N 0 3 441.597 3.065 40 0 IGABHN COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1 ZINC000035289929 524888877 /nfs/dbraw/zinc/88/88/77/524888877.db2.gz YHGLDWGFFFSRFM-QFIPXVFZSA-N 0 3 442.608 3.485 40 0 IGABHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000012235900 526755191 /nfs/dbraw/zinc/75/51/91/526755191.db2.gz LMWGXQPXGYDXCI-UNMCSNQZSA-N 0 3 426.605 3.330 40 0 IGABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030939858 556515928 /nfs/dbraw/zinc/51/59/28/556515928.db2.gz WZGACAYMPOSIQK-IBGZPJMESA-N 0 3 425.504 3.149 40 0 IGABHN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038831126 556621810 /nfs/dbraw/zinc/62/18/10/556621810.db2.gz NOKXIISQQMZZJR-HSZRJFAPSA-N 0 3 425.548 3.186 40 0 IGABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290441 556626565 /nfs/dbraw/zinc/62/65/65/556626565.db2.gz ZWPLBWPOSFFEPT-FCHUYYIVSA-N 0 3 431.502 3.211 40 0 biogenic,in-vitro IGABHN O=C(CN1CC[C@@](O)(CN2CCC(F)(F)CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000257287965 556715584 /nfs/dbraw/zinc/71/55/84/556715584.db2.gz PSFPRSMMMWWIBC-XMMPIXPASA-N 0 3 443.538 3.060 40 0 IGABHN COc1ccccc1C[N@@H+]1C[C@@H](c2ccc(OC)c(OC)c2)[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285455 556727137 /nfs/dbraw/zinc/72/71/37/556727137.db2.gz VPCLMDGNNNAQDE-VQTJNVASSA-N 0 3 435.524 3.487 40 0 IGABHN COc1ccccc1C[N@H+]1C[C@@H](c2ccc(OC)c(OC)c2)[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285455 556727141 /nfs/dbraw/zinc/72/71/41/556727141.db2.gz VPCLMDGNNNAQDE-VQTJNVASSA-N 0 3 435.524 3.487 40 0 IGABHN COc1ccc([C@@H]2C[N@H+](Cc3c(OC)cccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285495 556727520 /nfs/dbraw/zinc/72/75/20/556727520.db2.gz JDBLODPQIZDPSJ-VQTJNVASSA-N 0 3 435.524 3.487 40 0 IGABHN COc1ccc([C@@H]2C[N@@H+](Cc3c(OC)cccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285495 556727522 /nfs/dbraw/zinc/72/75/22/556727522.db2.gz JDBLODPQIZDPSJ-VQTJNVASSA-N 0 3 435.524 3.487 40 0 IGABHN O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372628 556749193 /nfs/dbraw/zinc/74/91/93/556749193.db2.gz QPHDMAVAALECLF-RPLLCQBOSA-N 0 3 432.564 3.477 40 0 IGABHN COc1cccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)c1 ZINC000019450122 556761082 /nfs/dbraw/zinc/76/10/82/556761082.db2.gz FNFLTYVYFYSCSE-VXKWHMMOSA-N 0 3 437.588 3.216 40 0 IGABHN CCc1c(C)nc([C@@H]2CCC[N@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[n-]c1=O ZINC000019521552 556778368 /nfs/dbraw/zinc/77/83/68/556778368.db2.gz LUVSXYQDGXNUMJ-HXUWFJFHSA-N 0 3 438.572 3.022 40 0 IGABHN CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[n-]c1=O ZINC000019521552 556778370 /nfs/dbraw/zinc/77/83/70/556778370.db2.gz LUVSXYQDGXNUMJ-HXUWFJFHSA-N 0 3 438.572 3.022 40 0 IGABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccccc2OC)C3)c(OCC)n1 ZINC000019531655 556792045 /nfs/dbraw/zinc/79/20/45/556792045.db2.gz JSQPJDQRGJDJLM-QRQCMCJISA-N 0 3 427.545 3.402 40 0 IGABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000019577957 556815559 /nfs/dbraw/zinc/81/55/59/556815559.db2.gz YDFLKPXQKGZIFY-SANMLTNESA-N 0 3 447.583 3.370 40 0 IGABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[n-]c(=O)c2C1 ZINC000019590242 556825206 /nfs/dbraw/zinc/82/52/06/556825206.db2.gz IAZIJRKNKBTROE-HNNXBMFYSA-N 0 3 437.569 3.119 40 0 IGABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[n-]c(=O)c2C1 ZINC000019590242 556825211 /nfs/dbraw/zinc/82/52/11/556825211.db2.gz IAZIJRKNKBTROE-HNNXBMFYSA-N 0 3 437.569 3.119 40 0 IGABHN CCN(CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019741731 556884827 /nfs/dbraw/zinc/88/48/27/556884827.db2.gz HNLXPLKYMBKKOK-OAQYLSRUSA-N 0 3 435.572 3.270 40 0 IGABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(Cc4ccccc4)C3)nc2n(C)c1=O ZINC000019743481 556888316 /nfs/dbraw/zinc/88/83/16/556888316.db2.gz BCZLDESYCATRCT-OAHLLOKOSA-N 0 3 432.446 3.031 40 0 IGABHN COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCCN(C4CCOCC4)C2)nc3C)cc1 ZINC000019743909 556889217 /nfs/dbraw/zinc/88/92/17/556889217.db2.gz LVFGVDKEQLXHCJ-LJQANCHMSA-N 0 3 436.556 3.241 40 0 IGABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330598 556906713 /nfs/dbraw/zinc/90/67/13/556906713.db2.gz GOBCVBYSUUZRQR-APTRMMRNSA-N 0 3 439.556 3.347 40 0 IGABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000072371493 556938949 /nfs/dbraw/zinc/93/89/49/556938949.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 0 3 428.487 3.155 40 0 IGABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000072371493 556938953 /nfs/dbraw/zinc/93/89/53/556938953.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 0 3 428.487 3.155 40 0 IGABHN O=C(CN1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373079 556945286 /nfs/dbraw/zinc/94/52/86/556945286.db2.gz DANDSPJTPYRIPI-GOTSBHOMSA-N 0 3 448.611 3.240 40 0 IGABHN COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1 ZINC000072374492 556948142 /nfs/dbraw/zinc/94/81/42/556948142.db2.gz LRQSRCUTVVZBIJ-OAQYLSRUSA-N 0 3 434.544 3.450 40 0 IGABHN CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(Cc3ccncc3)CC2)C1 ZINC000072380051 556957256 /nfs/dbraw/zinc/95/72/56/556957256.db2.gz FEKVVQSYRJBOAW-HSZRJFAPSA-N 0 3 434.584 3.118 40 0 IGABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4[nH]c5ccc(F)cc5c4C)C[C@H]32)c(OC)n1 ZINC000072392615 556964033 /nfs/dbraw/zinc/96/40/33/556964033.db2.gz VUAWXUVMULXAJA-FPULEUEGSA-N 0 3 426.492 3.152 40 0 IGABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394868 556966225 /nfs/dbraw/zinc/96/62/25/556966225.db2.gz QJGDJMGWLHRFTJ-RPWUZVMVSA-N 0 3 449.595 3.256 40 0 IGABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020082373 556979053 /nfs/dbraw/zinc/97/90/53/556979053.db2.gz UPMMZHMPCFECTR-OFNKIYASSA-N 0 3 447.587 3.062 40 0 IGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000006198561 557150339 /nfs/dbraw/zinc/15/03/39/557150339.db2.gz DBTFXGCDBJPVIV-UHFFFAOYSA-N 0 3 438.597 3.018 40 0 IGABHN CCOC(=O)c1ccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000022076224 557173683 /nfs/dbraw/zinc/17/36/83/557173683.db2.gz PWWKZQIQFBZOBX-UHFFFAOYSA-N 0 3 428.510 3.103 40 0 IGABHN C[C@]1(O)CCN(C(=O)c2cccc(OCCN3CCCC3)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000585262230 557200504 /nfs/dbraw/zinc/20/05/04/557200504.db2.gz NBGQYBNFJGNAOK-ZCYQVOJMSA-N 0 3 442.531 3.345 40 0 IGABHN CC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773640 557265686 /nfs/dbraw/zinc/26/56/86/557265686.db2.gz NMUPNGJJXVESJB-VJBMBRPKSA-N 0 3 437.584 3.111 40 0 IGABHN CCC(C)(C)n1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(C2CCCC2)CC1 ZINC000022928820 557276545 /nfs/dbraw/zinc/27/65/45/557276545.db2.gz NLUQVCNAVZMNIM-OAQYLSRUSA-N 0 3 442.608 3.485 40 0 IGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281730 557455216 /nfs/dbraw/zinc/45/52/16/557455216.db2.gz CERLMMWREAACCI-UXHICEINSA-N 0 3 426.977 3.455 40 0 IGABHN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)c(OC)c1 ZINC000020139607 557515738 /nfs/dbraw/zinc/51/57/38/557515738.db2.gz NSSCOPPGSUETDZ-NRFANRHFSA-N 0 3 428.581 3.095 40 0 IGABHN Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(CN4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271225 568617597 /nfs/dbraw/zinc/61/75/97/568617597.db2.gz UYXFKATVGMQGAX-HSZRJFAPSA-N 0 3 448.558 3.247 40 0 IGABHN O[C@@]1(CN2CCOC[C@@](O)(COc3ccc(F)cc3F)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585285933 568618968 /nfs/dbraw/zinc/61/89/68/568618968.db2.gz FLMIWLLMUPWHQW-DCEDVJGZSA-N 0 3 447.522 3.496 40 0 IGABHN Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019332672 568624445 /nfs/dbraw/zinc/62/44/45/568624445.db2.gz FGLIEGHLOOBBOE-FGZHOGPDSA-N 0 3 428.556 3.031 40 0 IGABHN Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@@H]2Cc1ccccc1 ZINC000257294929 568708890 /nfs/dbraw/zinc/70/88/90/568708890.db2.gz QWHRMQNOQISNPI-MRQKEVAZSA-N 0 3 442.629 3.366 40 0 IGABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128610 568765483 /nfs/dbraw/zinc/76/54/83/568765483.db2.gz HGDYZSZXUDCTPX-AHKZPQOWSA-N 0 3 443.547 3.487 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134811 568768709 /nfs/dbraw/zinc/76/87/09/568768709.db2.gz NYQIWMYXNWKSNZ-RCZVLFRGSA-N 0 3 430.556 3.272 40 0 IGABHN CN(C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136815 568769703 /nfs/dbraw/zinc/76/97/03/568769703.db2.gz QEBZGFIJQHCRLD-FPOVZHCZSA-N 0 3 431.540 3.088 40 0 IGABHN COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(Cc1ccccc1)C2=O ZINC000306138853 568771019 /nfs/dbraw/zinc/77/10/19/568771019.db2.gz SJJKQLNARGGEIS-BKMJKUGQSA-N 0 3 445.567 3.232 40 0 IGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140186 568771563 /nfs/dbraw/zinc/77/15/63/568771563.db2.gz UMJWDPZYGZCGQF-VWNXMTODSA-N 0 3 434.565 3.244 40 0 IGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140733 568771595 /nfs/dbraw/zinc/77/15/95/568771595.db2.gz VCJXPADGJDBDSR-VWNXMTODSA-N 0 3 434.565 3.244 40 0 IGABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1N(Cc3ccoc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306141270 568772086 /nfs/dbraw/zinc/77/20/86/568772086.db2.gz VQIJEBGMADOFOU-SQJMNOBHSA-N 0 3 431.540 3.312 40 0 IGABHN CC1(C)[C@@H]2C[C@H]1C(CN1CCOC[C@@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C1)=CC2 ZINC000306143994 568773646 /nfs/dbraw/zinc/77/36/46/568773646.db2.gz YSVHKFWBPCUBDT-XOEOCAAJSA-N 0 3 425.573 3.054 40 0 IGABHN Cc1ccc(S(=O)(=O)C2C(=O)N[C@]3(C)C[C@H]2c2cc(Br)ccc2O3)cc1 ZINC000009407602 569215228 /nfs/dbraw/zinc/21/52/28/569215228.db2.gz QRBZLPYBKVYYGH-IEZWGBDMSA-N 0 3 436.327 3.312 40 0 IGABHN COc1ccc(CN2C(=O)CCCC[C@H]3N(Cc4cnc(N(C)C)nc4)CC[C@]32C)cc1 ZINC000019713674 569235595 /nfs/dbraw/zinc/23/55/95/569235595.db2.gz GGQSTZOMXHDVGM-RCZVLFRGSA-N 0 3 437.588 3.487 40 0 IGABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252514995 569288172 /nfs/dbraw/zinc/28/81/72/569288172.db2.gz FRTPTKAXFMZUJC-ZRCGQRJVSA-N 0 3 446.569 3.166 40 0 IGABHN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218109594 569456353 /nfs/dbraw/zinc/45/63/53/569456353.db2.gz FRTPTKAXFMZUJC-MZKRTTBSSA-N 0 3 446.569 3.166 40 0 IGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242574887 569462046 /nfs/dbraw/zinc/46/20/46/569462046.db2.gz NHXYXGLVSUDYEB-YQVWRLOYSA-N 0 3 428.337 3.441 40 0 IGABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccccn3)n(C)n2)cc1OC ZINC000095252494 123391115 /nfs/dbraw/zinc/39/11/15/123391115.db2.gz PBOFHRFMHANGQL-BWAGFHJFSA-N 0 3 447.583 3.467 40 0 biogenic,in-vitro IGABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171680 291354210 /nfs/dbraw/zinc/35/42/10/291354210.db2.gz IWPQVBXHMINLTJ-ZEQRLZLVSA-N 0 3 445.611 3.460 40 0 biogenic,in-vitro IGABHN OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(C2CCCC2)CC1 ZINC000225476907 291363936 /nfs/dbraw/zinc/36/39/36/291363936.db2.gz YZTOSMHLXVBDBT-UHFFFAOYSA-N 0 3 427.618 3.086 40 0 biogenic,in-vitro IGABHN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941927 556516222 /nfs/dbraw/zinc/51/62/22/556516222.db2.gz BQSUKJGRTGIHSW-LJQANCHMSA-N 0 3 427.520 3.443 40 0 IGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038831114 556621830 /nfs/dbraw/zinc/62/18/30/556621830.db2.gz HGQQPJFDGUWNDN-HSZRJFAPSA-N 0 3 425.548 3.186 40 0 IGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022145 556693970 /nfs/dbraw/zinc/69/39/70/556693970.db2.gz NPBYOONDNRFLRE-RTWAWAEBSA-N 0 3 444.503 3.177 40 0 IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022166 556694001 /nfs/dbraw/zinc/69/40/01/556694001.db2.gz JQYYYIWQBBDJMZ-LEWJYISDSA-N 0 3 426.513 3.038 40 0 IGABHN O[C@H]1CN(Cc2cccc(OCc3cccnc3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000257245112 556710706 /nfs/dbraw/zinc/71/07/06/556710706.db2.gz IOCMYNJUOSWBFQ-SVBPBHIXSA-N 0 3 444.579 3.028 40 0 IGABHN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214858 556711584 /nfs/dbraw/zinc/71/15/84/556711584.db2.gz KERRVFVDHYSZDF-TWMPVWRBSA-N 0 3 449.599 3.430 40 0 IGABHN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214858 556711585 /nfs/dbraw/zinc/71/15/85/556711585.db2.gz KERRVFVDHYSZDF-TWMPVWRBSA-N 0 3 449.599 3.430 40 0 IGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019347701 556743506 /nfs/dbraw/zinc/74/35/06/556743506.db2.gz RKEGDRHQEQHFHQ-HNNXBMFYSA-N 0 3 438.528 3.159 40 0 IGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019347701 556743510 /nfs/dbraw/zinc/74/35/10/556743510.db2.gz RKEGDRHQEQHFHQ-HNNXBMFYSA-N 0 3 438.528 3.159 40 0 IGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499333 556771513 /nfs/dbraw/zinc/77/15/13/556771513.db2.gz HHJDTXGUTPFTRZ-VXKWHMMOSA-N 0 3 440.540 3.428 40 0 IGABHN Cc1cccc(NC(=S)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 ZINC000006442376 556835624 /nfs/dbraw/zinc/83/56/24/556835624.db2.gz XJBUIHJHDMBXMC-UHFFFAOYSA-N 0 3 438.553 3.326 40 0 IGABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330599 556906558 /nfs/dbraw/zinc/90/65/58/556906558.db2.gz GOBCVBYSUUZRQR-UCFCWBNQSA-N 0 3 439.556 3.347 40 0 IGABHN O=C(CN1CCC[C@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373080 556945449 /nfs/dbraw/zinc/94/54/49/556945449.db2.gz DANDSPJTPYRIPI-PKTZIBPZSA-N 0 3 448.611 3.240 40 0 IGABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395420 556967270 /nfs/dbraw/zinc/96/72/70/556967270.db2.gz KVUMVRUDRHZFNV-RCBMLXARSA-N 0 3 439.556 3.327 40 0 IGABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395421 556967393 /nfs/dbraw/zinc/96/73/93/556967393.db2.gz KVUMVRUDRHZFNV-VHAOLELVSA-N 0 3 439.556 3.327 40 0 IGABHN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000020049861 556974635 /nfs/dbraw/zinc/97/46/35/556974635.db2.gz JJINEQVEKRIPFU-UHFFFAOYSA-N 0 3 431.558 3.230 40 0 IGABHN O[C@@]1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585284953 557224383 /nfs/dbraw/zinc/22/43/83/557224383.db2.gz BDQGSCPVHYQQPR-GPUOULLFSA-N 0 3 429.532 3.357 40 0 IGABHN FC(F)(F)Oc1ccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)cc1 ZINC000604381070 557236225 /nfs/dbraw/zinc/23/62/25/557236225.db2.gz CXYBFKAIHPFTSE-OAQYLSRUSA-N 0 3 447.501 3.356 40 0 biogenic,in-vitro IGABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000057774110 557263712 /nfs/dbraw/zinc/26/37/12/557263712.db2.gz HHGROGBGSYVBIY-CYFREDJKSA-N 0 3 427.545 3.205 40 0 IGABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000057774100 557263738 /nfs/dbraw/zinc/26/37/38/557263738.db2.gz HHGROGBGSYVBIY-NTKDMRAZSA-N 0 3 427.545 3.205 40 0 IGABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1nccs1 ZINC000223257140 557451572 /nfs/dbraw/zinc/45/15/72/557451572.db2.gz IVPSQRMKMBXMDP-OALUTQOASA-N 0 3 426.615 3.480 40 0 IGABHN COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019556098 557500661 /nfs/dbraw/zinc/50/06/61/557500661.db2.gz JEDYDGPKXXCAMR-XMMPIXPASA-N 0 3 432.572 3.380 40 0 IGABHN C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224815898 557655032 /nfs/dbraw/zinc/65/50/32/557655032.db2.gz RLMRENUPJJSZPO-IBGZPJMESA-N 0 3 429.586 3.143 40 0 IGABHN CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000225628824 557754111 /nfs/dbraw/zinc/75/41/11/557754111.db2.gz FLCMUSPEFCHFBU-UHFFFAOYSA-N 0 3 443.569 3.260 40 0 IGABHN Cn1cnc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]4N(C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257217443 568673195 /nfs/dbraw/zinc/67/31/95/568673195.db2.gz CYYLNHLZILOCCB-XANJAXJYSA-N 0 3 428.602 3.057 40 0 IGABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COCCN4CCCC4=O)C3)c2)cc1 ZINC000257234963 568681306 /nfs/dbraw/zinc/68/13/06/568681306.db2.gz GVUPPWFEZUIHJY-FQEVSTJZSA-N 0 3 436.556 3.397 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132448 568767123 /nfs/dbraw/zinc/76/71/23/568767123.db2.gz LJDABMSMVDASKM-DHLKQENFSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1nc(CN2CCC[C@]3(CN(Cc4nccs4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306141145 568771903 /nfs/dbraw/zinc/77/19/03/568771903.db2.gz VMMJMNPEFDIFLO-LAUBAEHRSA-N 0 3 442.614 3.050 40 0 IGABHN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000328969424 568807984 /nfs/dbraw/zinc/80/79/84/568807984.db2.gz DDVSFLVJBAXYGB-UHFFFAOYSA-N 0 3 441.377 3.479 40 0 IGABHN COc1cc2c(cc1CN1CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698959 569327082 /nfs/dbraw/zinc/32/70/82/569327082.db2.gz YULKETIKFSJIRS-QGZVFWFLSA-N 0 3 448.523 3.335 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218661005 569458974 /nfs/dbraw/zinc/45/89/74/569458974.db2.gz ZFRBBAVBSOTKFN-CNNODRBYSA-N 0 3 434.533 3.296 40 0 IGABHN CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882893 291354349 /nfs/dbraw/zinc/35/43/49/291354349.db2.gz WVKUKLQBSBBKHV-VABKMULXSA-N 0 3 439.604 3.139 40 0 biogenic,in-vitro IGABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000036719500 556309604 /nfs/dbraw/zinc/30/96/04/556309604.db2.gz BWLDJMQUHANBJD-UZFJHSOTSA-N 0 3 442.531 3.407 40 0 IGABHN COCCN1C(=O)C(CC(=O)Nc2cccc(OC(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963962 556630665 /nfs/dbraw/zinc/63/06/65/556630665.db2.gz KCIKSRHBXTUUJC-QGZVFWFLSA-N 0 3 448.401 3.498 40 0 IGABHN Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214861 556711609 /nfs/dbraw/zinc/71/16/09/556711609.db2.gz KERRVFVDHYSZDF-SGDIKTSBSA-N 0 3 449.599 3.430 40 0 IGABHN Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214861 556711610 /nfs/dbraw/zinc/71/16/10/556711610.db2.gz KERRVFVDHYSZDF-SGDIKTSBSA-N 0 3 449.599 3.430 40 0 IGABHN COc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000000880716 556732614 /nfs/dbraw/zinc/73/26/14/556732614.db2.gz MUCUSLCHNNNJIB-UHFFFAOYSA-N 0 3 440.569 3.306 40 0 IGABHN O=C(Nc1nccs1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372484 556749237 /nfs/dbraw/zinc/74/92/37/556749237.db2.gz HUGGLBGGEVAGSD-OALUTQOASA-N 0 3 434.569 3.388 40 0 IGABHN COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N[C@@H](C)CN(C)C)c3C2)cc1 ZINC000019455929 556765638 /nfs/dbraw/zinc/76/56/38/556765638.db2.gz GMXNQEQRJJONSH-SFHVURJKSA-N 0 3 432.572 3.468 40 0 IGABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499332 556771224 /nfs/dbraw/zinc/77/12/24/556771224.db2.gz HHJDTXGUTPFTRZ-FGZHOGPDSA-N 0 3 440.540 3.428 40 0 IGABHN CCn1cc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2cc(OC)ccc21 ZINC000019524741 556782185 /nfs/dbraw/zinc/78/21/85/556782185.db2.gz PCFHNJDEKMDDDC-WPUZRXDDSA-N 0 3 436.556 3.093 40 0 IGABHN COc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550114 556795118 /nfs/dbraw/zinc/79/51/18/556795118.db2.gz KFJYKWLSJXATNR-UHFFFAOYSA-N 0 3 428.439 3.043 40 0 IGABHN COc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550114 556795121 /nfs/dbraw/zinc/79/51/21/556795121.db2.gz KFJYKWLSJXATNR-UHFFFAOYSA-N 0 3 428.439 3.043 40 0 IGABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 ZINC000019572457 556812732 /nfs/dbraw/zinc/81/27/32/556812732.db2.gz IIPOHVYZKLLBPF-DEOSSOPVSA-N 0 3 428.598 3.387 40 0 IGABHN Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)nc1 ZINC000019690541 556846590 /nfs/dbraw/zinc/84/65/90/556846590.db2.gz IVLZGHZTXHGHDK-DEOSSOPVSA-N 0 3 448.611 3.097 40 0 IGABHN CCn1cc(CN2CCC3(C[C@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c(C)n1 ZINC000072325631 556902956 /nfs/dbraw/zinc/90/29/56/556902956.db2.gz PVQBOMNKRXQQLV-JOCHJYFZSA-N 0 3 429.952 3.172 40 0 IGABHN O=C(CN1CCCC1)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761367 556904796 /nfs/dbraw/zinc/90/47/96/556904796.db2.gz CNQWLCCBMHGVLU-INIZCTEOSA-N 0 3 435.553 3.355 40 0 IGABHN C[C@@H](Cc1ccccc1F)N1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334502 556907075 /nfs/dbraw/zinc/90/70/75/556907075.db2.gz KDOCXHMOBZQGDQ-WOILTVAASA-N 0 3 437.559 3.328 40 0 IGABHN COCCOc1cccc(CN2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762983 556907674 /nfs/dbraw/zinc/90/76/74/556907674.db2.gz ZLBPDHWJZWRMLD-NRFANRHFSA-N 0 3 438.572 3.426 40 0 IGABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nnc(CC)s2)=N[C@@H]1c1ccccc1 ZINC000408986671 556909664 /nfs/dbraw/zinc/90/96/64/556909664.db2.gz CUAKXYXEYQTESX-QGZVFWFLSA-N 0 3 445.570 3.310 40 0 IGABHN COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000072347699 556918974 /nfs/dbraw/zinc/91/89/74/556918974.db2.gz SSPPWMOTHWSVFP-QFIPXVFZSA-N 0 3 437.588 3.038 40 0 IGABHN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1 ZINC000072374518 556948059 /nfs/dbraw/zinc/94/80/59/556948059.db2.gz UEMYQKROLPTEKU-JOCHJYFZSA-N 0 3 448.571 3.379 40 0 IGABHN CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3ccncc3)CC2)C1 ZINC000072380050 556957284 /nfs/dbraw/zinc/95/72/84/556957284.db2.gz FEKVVQSYRJBOAW-QHCPKHFHSA-N 0 3 434.584 3.118 40 0 IGABHN Cc1nc(C)c(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)s1 ZINC000072394961 556966434 /nfs/dbraw/zinc/96/64/34/556966434.db2.gz SPENMEPGCDCQOD-SFTDATJTSA-N 0 3 442.629 3.118 40 0 IGABHN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036441 557163468 /nfs/dbraw/zinc/16/34/68/557163468.db2.gz AZKKZMOOBXSSRD-HSZRJFAPSA-N 0 3 425.602 3.188 40 0 IGABHN COCCN(C)c1nc(C2CCN(Cc3cnn(C)c3)CC2)cc2c1ncn2C(C)C ZINC000096100027 557169401 /nfs/dbraw/zinc/16/94/01/557169401.db2.gz SPEYAPXIIQPZGF-UHFFFAOYSA-N 0 3 425.581 3.208 40 0 IGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000097951959 557178292 /nfs/dbraw/zinc/17/82/92/557178292.db2.gz HGEYGPHKXWJQND-FSSWDIPSSA-N 0 3 444.443 3.230 40 0 IGABHN COCCN1CC2(CCN(Cc3ccc(C)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263521 557191059 /nfs/dbraw/zinc/19/10/59/557191059.db2.gz ARKYGOZBHDXJKF-UHFFFAOYSA-N 0 3 444.597 3.307 40 0 IGABHN Cc1cccc(C2(C(=O)N3CC[C@@](O)(CN(C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000585261869 557197409 /nfs/dbraw/zinc/19/74/09/557197409.db2.gz CTRKTSKJTRODFG-RUZDIDTESA-N 0 3 440.559 3.278 40 0 IGABHN O[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585269624 557213381 /nfs/dbraw/zinc/21/33/81/557213381.db2.gz CUJRHLNHQHHMQB-SVBPBHIXSA-N 0 3 444.579 3.028 40 0 IGABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc(OC(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382117 557236831 /nfs/dbraw/zinc/23/68/31/557236831.db2.gz FJHNAXSEXKQXDU-UAFMIMERSA-N 0 3 439.478 3.189 40 0 biogenic,in-vitro IGABHN CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773646 557265746 /nfs/dbraw/zinc/26/57/46/557265746.db2.gz MBLBQAFIDLVYMS-GOTSBHOMSA-N 0 3 437.584 3.111 40 0 IGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)ccc4OC)C[C@@H]32)c(OCC)n1 ZINC000019531681 557500327 /nfs/dbraw/zinc/50/03/27/557500327.db2.gz SXPYBZZQDYHDFU-GERBCZOESA-N 0 3 427.545 3.321 40 0 IGABHN Cc1cccc(C)c1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O ZINC000224815470 557654789 /nfs/dbraw/zinc/65/47/89/557654789.db2.gz BTXYFIXSUCPGHB-UHFFFAOYSA-N 0 3 443.613 3.372 40 0 IGABHN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224823908 557655699 /nfs/dbraw/zinc/65/56/99/557655699.db2.gz BGGABUALCNODQF-UHFFFAOYSA-N 0 3 429.586 3.388 40 0 IGABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)OCCCO5)C[C@@H]32)ncn1 ZINC000257230158 568679066 /nfs/dbraw/zinc/67/90/66/568679066.db2.gz GBBZMDJXHSROHD-WOIUINJBSA-N 0 3 436.556 3.476 40 0 IGABHN Cc1[nH]ncc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267850 568696616 /nfs/dbraw/zinc/69/66/16/568696616.db2.gz MJADYDNRAOSIFL-HSZRJFAPSA-N 0 3 446.979 3.424 40 0 IGABHN CNc1nc([C@@H]2CCN(Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CN(C(C)=O)CC2 ZINC000257273689 568699213 /nfs/dbraw/zinc/69/92/13/568699213.db2.gz NHSOOAZGRCRZBR-LJQANCHMSA-N 0 3 437.588 3.346 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132450 568767211 /nfs/dbraw/zinc/76/72/11/568767211.db2.gz LJDABMSMVDASKM-RDGATRHJSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@@]2(CCN(Cc4ccccc4)C2)CC3)cc1 ZINC000306135600 568769048 /nfs/dbraw/zinc/76/90/48/568769048.db2.gz OVMAHKXUAHNZMP-SANMLTNESA-N 0 3 428.536 3.029 40 0 IGABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4cccc(F)c4)CC3)O2)cc1 ZINC000306138878 568770922 /nfs/dbraw/zinc/77/09/22/568770922.db2.gz SJYFJPKRHWFMJC-HSZRJFAPSA-N 0 3 425.548 3.116 40 0 IGABHN Cc1ncsc1CN1CC[C@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@@H]12 ZINC000306141007 568771909 /nfs/dbraw/zinc/77/19/09/568771909.db2.gz VIQMDTKLBFKSNL-YKSBVNFPSA-N 0 3 448.596 3.094 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143824 568773393 /nfs/dbraw/zinc/77/33/93/568773393.db2.gz YNQANIFDPKKRRV-DHLKQENFSA-N 0 3 430.556 3.272 40 0 IGABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000248169256 569207497 /nfs/dbraw/zinc/20/74/97/569207497.db2.gz QSCZLDJPSQOILF-OZXSUGGESA-N 0 3 438.568 3.257 40 0 IGABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019458693 569226653 /nfs/dbraw/zinc/22/66/53/569226653.db2.gz BWLDJMQUHANBJD-ZGNKEGEESA-N 0 3 442.531 3.407 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218660951 569458989 /nfs/dbraw/zinc/45/89/89/569458989.db2.gz ZFRBBAVBSOTKFN-NNMXDRDESA-N 0 3 434.533 3.296 40 0 IGABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345803 519673123 /nfs/dbraw/zinc/67/31/23/519673123.db2.gz LAOOGHRXDHOGCD-JOCHJYFZSA-N 0 3 433.618 3.131 40 0 IGABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036719466 521120220 /nfs/dbraw/zinc/12/02/20/521120220.db2.gz KIMUWKWTVCEMJL-JYFHCDHNSA-N 0 3 438.568 3.401 40 0 IGABHN CCC(C)(C)n1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(C2CCCC2)CC1 ZINC000022928817 521372352 /nfs/dbraw/zinc/37/23/52/521372352.db2.gz NLUQVCNAVZMNIM-NRFANRHFSA-N 0 3 442.608 3.485 40 0 IGABHN CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000002568242 555787871 /nfs/dbraw/zinc/78/78/71/555787871.db2.gz BQBSHJUQVIWEFM-MRXNPFEDSA-N 0 3 447.384 3.279 40 0 in-vivo IGABHN CC(=O)C1[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000036370349 556306923 /nfs/dbraw/zinc/30/69/23/556306923.db2.gz FFOUXBGFXPURFH-FBBABVLZSA-N 0 3 444.413 3.349 40 0 IGABHN CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CCN(C)CC1)c1ccccc1S2 ZINC000029747244 556481260 /nfs/dbraw/zinc/48/12/60/556481260.db2.gz GFBKORZTTCHDGY-UFWORHAWSA-N 0 3 443.638 3.471 40 0 in-man IGABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245587 556710748 /nfs/dbraw/zinc/71/07/48/556710748.db2.gz IQFUZIGRUGSILI-NRFANRHFSA-N 0 3 425.529 3.233 40 0 IGABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000257265133 556713076 /nfs/dbraw/zinc/71/30/76/556713076.db2.gz LXKWMQQHMIVOTK-RUZDIDTESA-N 0 3 435.572 3.047 40 0 IGABHN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CCN2C)c1 ZINC000257266781 556713371 /nfs/dbraw/zinc/71/33/71/556713371.db2.gz MENAMWWKJAKDGR-DEOSSOPVSA-N 0 3 448.611 3.164 40 0 IGABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270883 556713689 /nfs/dbraw/zinc/71/36/89/556713689.db2.gz MWAGNCMBUHBTEX-JOCHJYFZSA-N 0 3 426.557 3.139 40 0 IGABHN OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000019343430 556741082 /nfs/dbraw/zinc/74/10/82/556741082.db2.gz IWTHTCQNIOMIFD-GOSISDBHSA-N 0 3 438.601 3.374 40 0 IGABHN O=C(NCc1cccnc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372478 556748980 /nfs/dbraw/zinc/74/89/80/556748980.db2.gz YERGSMOKTCEDOT-GOTSBHOMSA-N 0 3 442.567 3.004 40 0 IGABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551505 556795691 /nfs/dbraw/zinc/79/56/91/556795691.db2.gz MYIZKMXTBSDYKA-RPVQJOFSSA-N 0 3 425.455 3.495 40 0 IGABHN COc1ccc(OC)c(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551507 556795902 /nfs/dbraw/zinc/79/59/02/556795902.db2.gz MYIZKMXTBSDYKA-QANKJYHBSA-N 0 3 425.455 3.495 40 0 IGABHN Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567957 556808204 /nfs/dbraw/zinc/80/82/04/556808204.db2.gz ZFOAKVVCMKYEEV-KRWDZBQOSA-N 0 3 426.586 3.123 40 0 IGABHN Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567957 556808208 /nfs/dbraw/zinc/80/82/08/556808208.db2.gz ZFOAKVVCMKYEEV-KRWDZBQOSA-N 0 3 426.586 3.123 40 0 IGABHN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164319 556823211 /nfs/dbraw/zinc/82/32/11/556823211.db2.gz QMRDWBOJBXXNFN-BSWQBHCVSA-N 0 3 433.508 3.442 40 0 IGABHN Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000006245261 556830984 /nfs/dbraw/zinc/83/09/84/556830984.db2.gz NMTJCFBRJSFVKO-UHFFFAOYSA-N 0 3 438.553 3.326 40 0 IGABHN COc1cccc2cc(CN(C)Cc3ccc([C@H]4CN(C(C)=O)C[C@@H]4C(N)=O)cc3)oc21 ZINC000019699268 556858611 /nfs/dbraw/zinc/85/86/11/556858611.db2.gz XOCGTSPMTCTDEP-YADHBBJMSA-N 0 3 435.524 3.121 40 0 IGABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)CCCOc1cccc3cccnc31)C2 ZINC000019707494 556867523 /nfs/dbraw/zinc/86/75/23/556867523.db2.gz WEBCMDHTRGJYLI-IBGZPJMESA-N 0 3 446.555 3.235 40 0 IGABHN O=C(Cn1cc(C(=O)NC2CCCCC2)ccc1=O)Nc1ccccc1CN1CCCC1 ZINC000019751676 556895675 /nfs/dbraw/zinc/89/56/75/556895675.db2.gz HQLSLULMILSZEL-UHFFFAOYSA-N 0 3 436.556 3.145 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019819142 556922105 /nfs/dbraw/zinc/92/21/05/556922105.db2.gz ABSVYQPWBFWBQY-IBGZPJMESA-N 0 3 439.443 3.223 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819189 556922112 /nfs/dbraw/zinc/92/21/12/556922112.db2.gz AMYGCYZNAOIFAY-KRWDZBQOSA-N 0 3 440.427 3.036 40 0 IGABHN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)CN4CCCCCC4)C3)[nH]n2)cc1 ZINC000072371431 556938645 /nfs/dbraw/zinc/93/86/45/556938645.db2.gz WLILGRVIFBYQOA-LJQANCHMSA-N 0 3 426.561 3.232 40 0 IGABHN COc1ccc([C@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 ZINC000072373218 556945849 /nfs/dbraw/zinc/94/58/49/556945849.db2.gz LLDWOLRITAGEEE-QHCPKHFHSA-N 0 3 444.539 3.267 40 0 IGABHN COc1ccc(CN2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c(OC)c1OC ZINC000072390063 556960240 /nfs/dbraw/zinc/96/02/40/556960240.db2.gz LZMWPMQXZBMLLW-MRXNPFEDSA-N 0 3 425.489 3.240 40 0 IGABHN COc1ccc2c(c1)c([C@H]1CN(Cc3ccc(OC)c(OC)c3)C[C@@H]1NC(C)=O)cn2C ZINC000072395551 556967370 /nfs/dbraw/zinc/96/73/70/556967370.db2.gz VSYTYYYUQBXJLG-YADHBBJMSA-N 0 3 437.540 3.308 40 0 IGABHN O=C1C[C@@]2(CN1Cc1ccccc1)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104811 557037894 /nfs/dbraw/zinc/03/78/94/557037894.db2.gz UKVZVOKHDROUBJ-XMMPIXPASA-N 0 3 434.565 3.456 40 0 IGABHN CCN1C(=O)C2(CC13CCN(C(=O)CC(C)C)CC3)CCN(Cc1cccnc1)CC2 ZINC000096143704 557170800 /nfs/dbraw/zinc/17/08/00/557170800.db2.gz LQTALJRDRNJMOZ-UHFFFAOYSA-N 0 3 426.605 3.323 40 0 IGABHN CN(C)C(=O)n1c(C(=O)N2CCN(c3ccncc3)CC2)cc2c1c1ccccc1n2C ZINC000096264176 557192135 /nfs/dbraw/zinc/19/21/35/557192135.db2.gz XPTCDLAVFSERBK-UHFFFAOYSA-N 0 3 430.512 3.020 40 0 IGABHN CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585280343 557220441 /nfs/dbraw/zinc/22/04/41/557220441.db2.gz MUXOXSDGZQKZQY-UHFFFAOYSA-N 0 3 430.520 3.137 40 0 IGABHN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000019220837 557498156 /nfs/dbraw/zinc/49/81/56/557498156.db2.gz PDTZOUQQAWYXDX-OFNKIYASSA-N 0 3 447.587 3.198 40 0 IGABHN C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224824094 557655914 /nfs/dbraw/zinc/65/59/14/557655914.db2.gz SXEUOFJMBHNNHP-GOSISDBHSA-N 0 3 447.576 3.283 40 0 IGABHN O[C@@]1(CN2CCOC[C@](O)(COc3ccc(F)cc3F)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585285932 568618865 /nfs/dbraw/zinc/61/88/65/568618865.db2.gz FLMIWLLMUPWHQW-AMDXRBSFSA-N 0 3 447.522 3.496 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288152 568619301 /nfs/dbraw/zinc/61/93/01/568619301.db2.gz XZSHVCMCIOEAAG-JIOQYBSPSA-N 0 3 427.532 3.109 40 0 IGABHN COCCN1CC[C@H](CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257203160 568666808 /nfs/dbraw/zinc/66/68/08/568666808.db2.gz AOXGKFGFGRZRLI-JOCHJYFZSA-N 0 3 437.584 3.172 40 0 IGABHN Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257266458 568695857 /nfs/dbraw/zinc/69/58/57/568695857.db2.gz MDDNQFZMQDETFF-NRFANRHFSA-N 0 3 443.935 3.180 40 0 IGABHN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)CCSC)CC[C@@H]3O[C@H]21 ZINC000257266192 568695949 /nfs/dbraw/zinc/69/59/49/568695949.db2.gz MBYHPZOZRDKDSX-LZRWSTQFSA-N 0 3 434.602 3.241 40 0 IGABHN Cc1ncsc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123332 568762473 /nfs/dbraw/zinc/76/24/73/568762473.db2.gz AKLRLEFIBGKIBZ-KNQAVFIVSA-N 0 3 440.594 3.305 40 0 IGABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4ccc(F)cc4)CC3)O2)cc1 ZINC000306127105 568764485 /nfs/dbraw/zinc/76/44/85/568764485.db2.gz FOMRUHZIWFLASA-HSZRJFAPSA-N 0 3 425.548 3.116 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132449 568767197 /nfs/dbraw/zinc/76/71/97/568767197.db2.gz LJDABMSMVDASKM-RCZVLFRGSA-N 0 3 430.556 3.272 40 0 IGABHN CCc1ccc(CN2CCC3(CC2)CN(C(=O)OC)Cc2nnc(-c4cccnc4)n23)cc1 ZINC000306138684 568770726 /nfs/dbraw/zinc/77/07/26/568770726.db2.gz SEGRQTGOYDORBM-UHFFFAOYSA-N 0 3 446.555 3.476 40 0 IGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140730 568771663 /nfs/dbraw/zinc/77/16/63/568771663.db2.gz VCJXPADGJDBDSR-ISKFKSNPSA-N 0 3 434.565 3.244 40 0 IGABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1N(Cc3ccoc3)CC[C@]1(c1ccccc1)CC2 ZINC000306141267 568771973 /nfs/dbraw/zinc/77/19/73/568771973.db2.gz VQIJEBGMADOFOU-BWKNWUBXSA-N 0 3 431.540 3.312 40 0 IGABHN CCOc1ccc(CN2CCC[C@H]([C@@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000227305892 569183181 /nfs/dbraw/zinc/18/31/81/569183181.db2.gz JQVPKKZQZHOCJW-YADARESESA-N 0 3 427.545 3.205 40 0 IGABHN Cc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000248332786 569207652 /nfs/dbraw/zinc/20/76/52/569207652.db2.gz JHHADXBOPIGYET-VNZMSGEBSA-N 0 3 437.540 3.367 40 0 IGABHN Cc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000019125559 569226188 /nfs/dbraw/zinc/22/61/88/569226188.db2.gz JHHADXBOPIGYET-NSXLHWASSA-N 0 3 437.540 3.367 40 0 IGABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297746 291363041 /nfs/dbraw/zinc/36/30/41/291363041.db2.gz FNHJUFTULTXEML-SUMDDJOVSA-N 0 3 440.598 3.376 40 0 biogenic,in-vitro IGABHN COc1cccc(CNC(=O)c2ccc(C3CCN(Cc4ccccn4)CC3)nc2N)c1 ZINC000072348362 526003830 /nfs/dbraw/zinc/00/38/30/526003830.db2.gz JDCKHWXUGLRXFQ-UHFFFAOYSA-N 0 3 431.540 3.377 40 0 IGABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3nc(C)cc3C)cc2)cc1 ZINC000257229009 556708909 /nfs/dbraw/zinc/70/89/09/556708909.db2.gz FWFIBGLJCUGTJT-QFIPXVFZSA-N 0 3 439.556 3.459 40 0 IGABHN Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237795 556722734 /nfs/dbraw/zinc/72/27/34/556722734.db2.gz PXQMFZACBFQDAA-QGZVFWFLSA-N 0 3 449.580 3.113 40 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ZINC000019526399 556784445 /nfs/dbraw/zinc/78/44/45/556784445.db2.gz OGXKAQLVFUZXQY-RDPSFJRHSA-N 0 3 440.613 3.057 40 0 IGABHN CCOc1ncc(C2(O)CCN(Cc3cn(C)c4cc(OC)ccc34)CC2)c(OCC)n1 ZINC000019531757 556792365 /nfs/dbraw/zinc/79/23/65/556792365.db2.gz JZAAYJOUKDEYCG-UHFFFAOYSA-N 0 3 440.544 3.258 40 0 IGABHN CCn1nc(C)c(CN2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c1C ZINC000019761744 556905250 /nfs/dbraw/zinc/90/52/50/556905250.db2.gz CSRWQKQVBIDLRZ-IBGZPJMESA-N 0 3 435.572 3.122 40 0 IGABHN Cc1ccc([C@@H](O)CN2CC=C(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000072339513 556911797 /nfs/dbraw/zinc/91/17/97/556911797.db2.gz IARWLSTXCFSPNO-DEOSSOPVSA-N 0 3 434.584 3.323 40 0 IGABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394866 556966242 /nfs/dbraw/zinc/96/62/42/556966242.db2.gz QJGDJMGWLHRFTJ-DNQXCXABSA-N 0 3 449.595 3.256 40 0 IGABHN COc1ncc(CN2C[C@@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)cc1C ZINC000585101992 557035524 /nfs/dbraw/zinc/03/55/24/557035524.db2.gz 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COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)Nc2ccc(C)nc2)Cn2ccnc23)cc1 ZINC000096144918 557173734 /nfs/dbraw/zinc/17/37/34/557173734.db2.gz DDXBRWIBAJPGFP-JOCHJYFZSA-N 0 3 447.539 3.124 40 0 IGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000097951960 557178179 /nfs/dbraw/zinc/17/81/79/557178179.db2.gz HGEYGPHKXWJQND-BDTNDASRSA-N 0 3 444.443 3.230 40 0 IGABHN O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc4ccccc43)C2)cc1 ZINC000585267910 557207289 /nfs/dbraw/zinc/20/72/89/557207289.db2.gz VYWVUSHTZCCFLI-AHWVRZQESA-N 0 3 446.547 3.465 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284977 557224440 /nfs/dbraw/zinc/22/44/40/557224440.db2.gz BFMNUXHDXDWMQC-JIOQYBSPSA-N 0 3 427.532 3.109 40 0 IGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000011340496 557228453 /nfs/dbraw/zinc/22/84/53/557228453.db2.gz CRKVNIRYYVSXHK-UHFFFAOYSA-N 0 3 428.533 3.436 40 0 IGABHN CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000022929654 557273918 /nfs/dbraw/zinc/27/39/18/557273918.db2.gz PHBSSYUHKRDKTO-NRFANRHFSA-N 0 3 440.592 3.488 40 0 IGABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(CCOCc3ccccc3)C2)c1 ZINC000072356455 557387796 /nfs/dbraw/zinc/38/77/96/557387796.db2.gz LXOURDWTPIRXLO-OAQYLSRUSA-N 0 3 431.540 3.221 40 0 IGABHN Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1C ZINC000224813661 557654630 /nfs/dbraw/zinc/65/46/30/557654630.db2.gz JDOUNJZQPAPHEI-UHFFFAOYSA-N 0 3 443.613 3.372 40 0 IGABHN O=C1CCCN1CCCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585270476 568616858 /nfs/dbraw/zinc/61/68/58/568616858.db2.gz DOALZYNJNHSOHJ-AREMUKBSSA-N 0 3 438.568 3.484 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585285966 568618856 /nfs/dbraw/zinc/61/88/56/568618856.db2.gz FZSIRTSHFZQKRD-IKPGRFEGSA-N 0 3 427.532 3.109 40 0 IGABHN Cc1cccc(N([C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1 ZINC000260897369 568627613 /nfs/dbraw/zinc/62/76/13/568627613.db2.gz 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ZINC000257245746 556711131 /nfs/dbraw/zinc/71/11/31/556711131.db2.gz IQYBCKVZBUNQSD-QFIPXVFZSA-N 0 3 426.557 3.176 40 0 IGABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000257250064 556711386 /nfs/dbraw/zinc/71/13/86/556711386.db2.gz JKVSWQKQXBLIDL-FQEVSTJZSA-N 0 3 425.529 3.270 40 0 IGABHN COc1cc(CN2CCC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239097 556724457 /nfs/dbraw/zinc/72/44/57/556724457.db2.gz UJXJDPBKEFPMGN-INIZCTEOSA-N 0 3 425.489 3.240 40 0 IGABHN O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332362 556737595 /nfs/dbraw/zinc/73/75/95/556737595.db2.gz ANQQANGNKUODFP-YADHBBJMSA-N 0 3 440.515 3.337 40 0 IGABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc(OC)c2)C3)c(OCC)n1 ZINC000019531646 556792011 /nfs/dbraw/zinc/79/20/11/556792011.db2.gz XGIUWWIKLRAHSR-QRQCMCJISA-N 0 3 427.545 3.402 40 0 IGABHN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019579047 556816400 /nfs/dbraw/zinc/81/64/00/556816400.db2.gz 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ZINC000585104807 557037924 /nfs/dbraw/zinc/03/79/24/557037924.db2.gz UKVZVOKHDROUBJ-DEOSSOPVSA-N 0 3 434.565 3.456 40 0 IGABHN COc1ccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000006198584 557150358 /nfs/dbraw/zinc/15/03/58/557150358.db2.gz DPARXIFBAQBJEL-UHFFFAOYSA-N 0 3 438.597 3.018 40 0 IGABHN COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(CCOc2ccccc2)C3)cc1 ZINC000096216412 557183990 /nfs/dbraw/zinc/18/39/90/557183990.db2.gz JQFOPZJNRARERL-HSZRJFAPSA-N 0 3 430.570 3.251 40 0 IGABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096242213 557185961 /nfs/dbraw/zinc/18/59/61/557185961.db2.gz FLZCSIBVGGBFCC-LJQANCHMSA-N 0 3 425.598 3.477 40 0 IGABHN CC(=O)N[C@]12CN(C(=O)c3cc4cc(F)ccc4n3C)[C@H](c3ccccc3)[C@H]1CN(C)CC2 ZINC000585261217 557194721 /nfs/dbraw/zinc/19/47/21/557194721.db2.gz BBXFJFOPKPMRTI-YMVVMYQSSA-N 0 3 448.542 3.341 40 0 IGABHN C[C@]1(O)CN(C(=O)c2ccc(OCCN3CCCC3)cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000585262219 557201296 /nfs/dbraw/zinc/20/12/96/557201296.db2.gz 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435.568 3.290 40 0 IGABHN Cc1cccc(N([C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220154338 557283124 /nfs/dbraw/zinc/28/31/24/557283124.db2.gz FBFNFBIYDWSSPQ-GOSISDBHSA-N 0 3 445.585 3.261 40 0 IGABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1nccs1 ZINC000223256979 557451534 /nfs/dbraw/zinc/45/15/34/557451534.db2.gz IVPSQRMKMBXMDP-RTBURBONSA-N 0 3 426.615 3.480 40 0 IGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000223277641 557454987 /nfs/dbraw/zinc/45/49/87/557454987.db2.gz ZPFQLUSQSGSXOS-XZOQPEGZSA-N 0 3 434.613 3.472 40 0 IGABHN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223291928 557456546 /nfs/dbraw/zinc/45/65/46/557456546.db2.gz QGKMZRUXMWVSJS-YADHBBJMSA-N 0 3 449.580 3.193 40 0 IGABHN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000019220834 557498140 /nfs/dbraw/zinc/49/81/40/557498140.db2.gz PDTZOUQQAWYXDX-NFBKMPQASA-N 0 3 447.587 3.198 40 0 IGABHN Cc1cc(C)n(CCOc2ccc(CN3CC[C@](O)(CN4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271238 568617561 /nfs/dbraw/zinc/61/75/61/568617561.db2.gz UYXFKATVGMQGAX-QHCPKHFHSA-N 0 3 448.558 3.247 40 0 IGABHN Cc1cccc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585288126 568619353 /nfs/dbraw/zinc/61/93/53/568619353.db2.gz XCRCDEBIQAMMJM-MNPUUQGPSA-N 0 3 425.569 3.260 40 0 IGABHN Cc1nc(N)cc([C@]2(C)CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)n1 ZINC000257251991 568689699 /nfs/dbraw/zinc/68/96/99/568689699.db2.gz JTDTZIOHOBRUDC-XMMPIXPASA-N 0 3 439.579 3.341 40 0 IGABHN Cc1nc2cc(C(=O)N3CCC[C@@H](CC(=O)N4CCN(C5CCCC5)CC4)C3)ccc2[nH]1 ZINC000257285168 568704533 /nfs/dbraw/zinc/70/45/33/568704533.db2.gz PFYIXNOTWRXCHF-IBGZPJMESA-N 0 3 437.588 3.200 40 0 IGABHN C[C@@H]1CCCN(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312182 568716537 /nfs/dbraw/zinc/71/65/37/568716537.db2.gz UMTWMCMJOJHRDW-LJQANCHMSA-N 0 3 449.599 3.046 40 0 IGABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 ZINC000257338668 568728027 /nfs/dbraw/zinc/72/80/27/568728027.db2.gz YYKLGYLUMGGCPR-KRWDZBQOSA-N 0 3 441.557 3.362 40 0 IGABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123278 568762560 /nfs/dbraw/zinc/76/25/60/568762560.db2.gz AIZCZRLDBGEELL-UKILVPOCSA-N 0 3 432.499 3.013 40 0 IGABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3cccnc3)CC1)CCN(Cc1ccccc1)C2 ZINC000306128586 568765208 /nfs/dbraw/zinc/76/52/08/568765208.db2.gz HFOWDIPQDWKTLF-UHFFFAOYSA-N 0 3 441.579 3.035 40 0 IGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129387 568765744 /nfs/dbraw/zinc/76/57/44/568765744.db2.gz IBSSISUPRXXHKY-AHKZPQOWSA-N 0 3 442.563 3.491 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4Cl)C[C@@H]2C3)cc1 ZINC000306132478 568767403 /nfs/dbraw/zinc/76/74/03/568767403.db2.gz LKOVDSZOURIXNM-DLBZAZTESA-N 0 3 437.931 3.497 40 0 IGABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139777 568771365 /nfs/dbraw/zinc/77/13/65/568771365.db2.gz UAIIENFLMILDFB-AHWVRZQESA-N 0 3 428.536 3.182 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2cccnc2)n1 ZINC000329018396 568809465 /nfs/dbraw/zinc/80/94/65/568809465.db2.gz NRLAXEAZFFTUEN-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN Cc1c(Br)cccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329072440 568811450 /nfs/dbraw/zinc/81/14/50/568811450.db2.gz ZYARDCKKHFAIGT-UHFFFAOYSA-N 0 3 427.350 3.170 40 0 IGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102535 569177285 /nfs/dbraw/zinc/17/72/85/569177285.db2.gz MWPMSHAXOHRZSG-FYHVMQNLSA-N 0 3 439.596 3.341 40 0 IGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019498015 569226825 /nfs/dbraw/zinc/22/68/25/569226825.db2.gz HAKFMMFVEYQFHK-KNXBSLHKSA-N 0 3 425.525 3.403 40 0 IGABHN C[C@@H](C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1)N1CCCC1 ZINC000019700323 569231174 /nfs/dbraw/zinc/23/11/74/569231174.db2.gz NKDRFNXBVBIBRB-NRFANRHFSA-N 0 3 448.611 3.472 40 0 IGABHN CN(C)CCCNc1nc(-c2ccccc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000328982812 569582857 /nfs/dbraw/zinc/58/28/57/569582857.db2.gz HCMWJEMAOASLDN-UHFFFAOYSA-N 0 3 441.561 3.715 40 0 IGABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)cc1 ZINC000008299342 291358056 /nfs/dbraw/zinc/35/80/56/291358056.db2.gz UGVLHIYVJVVPAT-WPYKKVEZSA-N 0 3 449.530 3.120 40 0 biogenic,in-vitro IGABHN COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@H]2C(C)C)cc1 ZINC000030880339 291358168 /nfs/dbraw/zinc/35/81/68/291358168.db2.gz OIEWQGAYPLQHQQ-FUDKSRODSA-N 0 3 429.605 3.348 40 0 biogenic,in-vitro IGABHN NC(=O)COc1c(Br)cc(CNCc2ccccc2)cc1Br ZINC000036612898 556511516 /nfs/dbraw/zinc/51/15/16/556511516.db2.gz LCMVCYQDOJITIV-UHFFFAOYSA-N 0 3 428.124 3.366 40 0 IGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038831115 556621840 /nfs/dbraw/zinc/62/18/40/556621840.db2.gz HGQQPJFDGUWNDN-QHCPKHFHSA-N 0 3 425.548 3.186 40 0 IGABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125195 556703210 /nfs/dbraw/zinc/70/32/10/556703210.db2.gz ZESWEVRIIIUSCH-LEWJYISDSA-N 0 3 425.525 3.459 40 0 IGABHN O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019343159 556741050 /nfs/dbraw/zinc/74/10/50/556741050.db2.gz VVCCBLJDDYFMTF-MRXNPFEDSA-N 0 3 426.586 3.081 40 0 IGABHN O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019343159 556741052 /nfs/dbraw/zinc/74/10/52/556741052.db2.gz VVCCBLJDDYFMTF-MRXNPFEDSA-N 0 3 426.586 3.081 40 0 IGABHN COc1cccc2c1cc(C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CC[N@@H+](C(C)C)C3)n2C ZINC000019448397 556757913 /nfs/dbraw/zinc/75/79/13/556757913.db2.gz MMSVXCUHRCQCTN-HXUWFJFHSA-N 0 3 449.555 3.426 40 0 IGABHN COc1cccc2c1cc(C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CC[N@H+](C(C)C)C3)n2C ZINC000019448397 556757916 /nfs/dbraw/zinc/75/79/16/556757916.db2.gz MMSVXCUHRCQCTN-HXUWFJFHSA-N 0 3 449.555 3.426 40 0 IGABHN CCn1c(C)c(CN2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523872 556781101 /nfs/dbraw/zinc/78/11/01/556781101.db2.gz BRJIIUWEUCXGKJ-OZXSUGGESA-N 0 3 448.567 3.248 40 0 IGABHN COc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552263 556795935 /nfs/dbraw/zinc/79/59/35/556795935.db2.gz JDYYAKIGKVZYAJ-RPVQJOFSSA-N 0 3 425.455 3.495 40 0 IGABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C(C)C)CC2 ZINC000019571534 556811523 /nfs/dbraw/zinc/81/15/23/556811523.db2.gz QJXPFKSXBCESKQ-LJQANCHMSA-N 0 3 448.564 3.312 40 0 IGABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C(C)C)CC2 ZINC000019571534 556811528 /nfs/dbraw/zinc/81/15/28/556811528.db2.gz QJXPFKSXBCESKQ-LJQANCHMSA-N 0 3 448.564 3.312 40 0 IGABHN CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)CN4CCCC[C@H]4C)CC3)nc21 ZINC000019739507 556878153 /nfs/dbraw/zinc/87/81/53/556878153.db2.gz YQFMCSGISNYOGA-QGZVFWFLSA-N 0 3 427.593 3.055 40 0 IGABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761710 556905283 /nfs/dbraw/zinc/90/52/83/556905283.db2.gz UMBXFHPSJFEXID-IBGZPJMESA-N 0 3 445.567 3.158 40 0 IGABHN Cc1nc(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766534 556911685 /nfs/dbraw/zinc/91/16/85/556911685.db2.gz WVNGZGWEGKDGMT-UHFFFAOYSA-N 0 3 438.572 3.424 40 0 IGABHN CN1CC[C@@H](c2c3ccccc3sc2C(=O)NCCS(=O)(=O)NC2CCCCC2)C1 ZINC000072352565 556924498 /nfs/dbraw/zinc/92/44/98/556924498.db2.gz USMFRGBOBJAPOE-MRXNPFEDSA-N 0 3 449.642 3.302 40 0 IGABHN CCN(CC)CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000072371159 556937534 /nfs/dbraw/zinc/93/75/34/556937534.db2.gz AVMLOMQWLUGFEV-UHFFFAOYSA-N 0 3 449.599 3.312 40 0 IGABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CCN(C)CC3)nc2NC)C1 ZINC000072372418 556942888 /nfs/dbraw/zinc/94/28/88/556942888.db2.gz UILKFUKSFFVDDE-HXUWFJFHSA-N 0 3 441.551 3.209 40 0 IGABHN COc1ccc([C@@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 ZINC000072373219 556945742 /nfs/dbraw/zinc/94/57/42/556945742.db2.gz LLDWOLRITAGEEE-HSZRJFAPSA-N 0 3 444.539 3.267 40 0 IGABHN COc1cc(CN2CCC(c3ccc(Nc4ccccn4)cn3)CC2)ccc1OCC(N)=O ZINC000072374319 556947661 /nfs/dbraw/zinc/94/76/61/556947661.db2.gz OJDMENMHAOJLSX-UHFFFAOYSA-N 0 3 447.539 3.473 40 0 IGABHN Cc1cccnc1C[NH+]1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000072398988 556971114 /nfs/dbraw/zinc/97/11/14/556971114.db2.gz WJBXQACVCWUGCZ-UHFFFAOYSA-N 0 3 449.580 3.113 40 0 IGABHN COCCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000072399201 556971803 /nfs/dbraw/zinc/97/18/03/556971803.db2.gz DPWKUFAVZKRMKO-NRFANRHFSA-N 0 3 444.620 3.272 40 0 IGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096056087 557166860 /nfs/dbraw/zinc/16/68/60/557166860.db2.gz JHXSMTFCSHWMGV-XXBNENTESA-N 0 3 427.570 3.369 40 0 IGABHN CCC(CC)C(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096144403 557172384 /nfs/dbraw/zinc/17/23/84/557172384.db2.gz LGEVULHFWBVYTF-RUZDIDTESA-N 0 3 426.605 3.181 40 0 IGABHN COc1ccc(CN2C[C@H]3CCN(Cc4cccc(OC)c4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145399 557174727 /nfs/dbraw/zinc/17/47/27/557174727.db2.gz ZDNHQQDUXHCLFB-NFBKMPQASA-N 0 3 430.570 3.130 40 0 IGABHN CN(Cc1ccc(OCCCO)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585269792 557213764 /nfs/dbraw/zinc/21/37/64/557213764.db2.gz JOCOOAFAYWYGKA-KRWDZBQOSA-N 0 3 437.462 3.309 40 0 IGABHN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCN(C)CC1 ZINC000219480071 557252989 /nfs/dbraw/zinc/25/29/89/557252989.db2.gz PTSVMNRJNNDWKY-UHFFFAOYSA-N 0 3 427.570 3.196 40 0 IGABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000057774122 557264082 /nfs/dbraw/zinc/26/40/82/557264082.db2.gz JHIJIEKNFRRMCY-UUOWRZLLSA-N 0 3 427.545 3.205 40 0 IGABHN N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1 ZINC000100708802 557270689 /nfs/dbraw/zinc/27/06/89/557270689.db2.gz QRKHCLUXEGXIEH-LVCYWYKZSA-N 0 3 449.534 3.109 40 0 IGABHN COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929801 557274220 /nfs/dbraw/zinc/27/42/20/557274220.db2.gz SCJFQVGXIRFFOK-QFIPXVFZSA-N 0 3 438.601 3.441 40 0 IGABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1cccnc1 ZINC000223256637 557451578 /nfs/dbraw/zinc/45/15/78/557451578.db2.gz OISSWFRBHRPMIA-GOTSBHOMSA-N 0 3 434.613 3.477 40 0 IGABHN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1OC ZINC000019559932 557500530 /nfs/dbraw/zinc/50/05/30/557500530.db2.gz QYDVVOABLIUWCE-HSZRJFAPSA-N 0 3 440.592 3.455 40 0 IGABHN CNc1nc([C@H]2CCN(Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257275460 568699995 /nfs/dbraw/zinc/69/99/95/568699995.db2.gz NPMRVVJTLYFTAV-IBGZPJMESA-N 0 3 437.588 3.346 40 0 IGABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)c1 ZINC000257336413 568727092 /nfs/dbraw/zinc/72/70/92/568727092.db2.gz YOHPHJDORGZWAR-KRWDZBQOSA-N 0 3 441.557 3.444 40 0 IGABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306123276 568762510 /nfs/dbraw/zinc/76/25/10/568762510.db2.gz AIZCZRLDBGEELL-ILBGXUMGSA-N 0 3 432.499 3.013 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(Cl)c4)C[C@@H]2C3)cc1 ZINC000306123530 568762806 /nfs/dbraw/zinc/76/28/06/568762806.db2.gz APMOHXDHJZWFFQ-IRXDYDNUSA-N 0 3 437.931 3.497 40 0 IGABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128613 568765473 /nfs/dbraw/zinc/76/54/73/568765473.db2.gz HGDYZSZXUDCTPX-XNMGPUDCSA-N 0 3 443.547 3.487 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4Cl)C[C@H]2C3)cc1 ZINC000306132481 568767463 /nfs/dbraw/zinc/76/74/63/568767463.db2.gz LKOVDSZOURIXNM-SJORKVTESA-N 0 3 437.931 3.497 40 0 IGABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000306138189 568770510 /nfs/dbraw/zinc/77/05/10/568770510.db2.gz RSBVXIWWDLDLQV-FQEVSTJZSA-N 0 3 434.005 3.383 40 0 IGABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143794 568773352 /nfs/dbraw/zinc/77/33/52/568773352.db2.gz 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O=C(N[C@H]1Cc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2C1)C1CCCC1 ZINC000019749607 556893922 /nfs/dbraw/zinc/89/39/22/556893922.db2.gz FTDCNMXEJFRMHK-QFIPXVFZSA-N 0 3 447.645 3.005 40 0 IGABHN Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752777 556896544 /nfs/dbraw/zinc/89/65/44/556896544.db2.gz PCGNUATWKMXGKL-OAQYLSRUSA-N 0 3 432.572 3.479 40 0 IGABHN CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000072356331 556931044 /nfs/dbraw/zinc/93/10/44/556931044.db2.gz WCXMFHVKNVDCNQ-IBGZPJMESA-N 0 3 429.586 3.235 40 0 IGABHN CN(C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccccc1F ZINC000072394716 556966236 /nfs/dbraw/zinc/96/62/36/556966236.db2.gz LLJPKVOBANZNHT-FCHUYYIVSA-N 0 3 425.548 3.184 40 0 IGABHN COc1ccc(OC)c([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)c1 ZINC000020139841 556989266 /nfs/dbraw/zinc/98/92/66/556989266.db2.gz JVUOLQMWGMNYBG-OAQYLSRUSA-N 0 3 428.581 3.095 40 0 IGABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183612 557139325 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427.545 3.205 40 0 IGABHN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12 ZINC000022931292 557274547 /nfs/dbraw/zinc/27/45/47/557274547.db2.gz JYGFRMDKSMPUJA-UHFFFAOYSA-N 0 3 443.979 3.087 40 0 IGABHN Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220154269 557282930 /nfs/dbraw/zinc/28/29/30/557282930.db2.gz FBFNFBIYDWSSPQ-SFHVURJKSA-N 0 3 445.585 3.261 40 0 IGABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1cccnc1 ZINC000223256485 557451636 /nfs/dbraw/zinc/45/16/36/557451636.db2.gz OISSWFRBHRPMIA-DHIUTWEWSA-N 0 3 434.613 3.477 40 0 IGABHN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223291418 557456287 /nfs/dbraw/zinc/45/62/87/557456287.db2.gz SDOIQXIGGONUQL-YADHBBJMSA-N 0 3 449.580 3.193 40 0 IGABHN CCc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 ZINC000224818298 557655169 /nfs/dbraw/zinc/65/51/69/557655169.db2.gz RMBQASURONSMHB-UHFFFAOYSA-N 0 3 443.613 3.317 40 0 IGABHN 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ZINC000257259710 568692932 /nfs/dbraw/zinc/69/29/32/568692932.db2.gz KZPXYDDUXVFUPB-QGZVFWFLSA-N 0 3 441.557 3.362 40 0 IGABHN O=C(N1CCNC[C@@H](COCc2ccccc2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257266327 568695830 /nfs/dbraw/zinc/69/58/30/568695830.db2.gz MCNWXUJQTKPHBE-OAQYLSRUSA-N 0 3 426.532 3.139 40 0 IGABHN CNc1nc([C@H]2CCN(Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CN(C(C)=O)CC2 ZINC000257273688 568699084 /nfs/dbraw/zinc/69/90/84/568699084.db2.gz NHSOOAZGRCRZBR-IBGZPJMESA-N 0 3 437.588 3.346 40 0 IGABHN CN(C)CCOc1cccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000257306833 568714292 /nfs/dbraw/zinc/71/42/92/568714292.db2.gz SWENHTPDLSFBPU-GMAHTHKFSA-N 0 3 432.948 3.325 40 0 IGABHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 ZINC000257341016 568728963 /nfs/dbraw/zinc/72/89/63/568728963.db2.gz ZILXYMUQDWDJOX-PEIKYOHHSA-N 0 3 447.595 3.409 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136476 568769403 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O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)Nc1ccccc1CN1CCCC1 ZINC000019751678 569328402 /nfs/dbraw/zinc/32/84/02/569328402.db2.gz HQBJXGCSWCCZGY-UHFFFAOYSA-N 0 3 448.498 3.474 40 0 IGABHN Cc1ccc([C@H](CNCC(=O)N(Cc2ccco2)CC(F)(F)F)N2CCOCC2)cc1 ZINC000028617003 569414769 /nfs/dbraw/zinc/41/47/69/569414769.db2.gz GSGJOMOXEKTJPF-FQEVSTJZSA-N 0 3 439.478 3.142 40 0 IGABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218109439 569456363 /nfs/dbraw/zinc/45/63/63/569456363.db2.gz FRTPTKAXFMZUJC-JTAQYXEDSA-N 0 3 446.569 3.166 40 0 IGABHN O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297601 569462536 /nfs/dbraw/zinc/46/25/36/569462536.db2.gz DSGMFMYGPAPRFK-KPLVRAHFSA-N 0 3 437.569 3.190 40 0 biogenic,in-vitro IGABHN Cc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O ZINC000024182277 525217843 /nfs/dbraw/zinc/21/78/43/525217843.db2.gz HLGNIRTZHPRVIK-UHFFFAOYSA-N 0 3 429.586 3.063 40 0 IGABHN O=C(NCc1ccccc1)N(CCN1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 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Cc1nccn1[C@@H](C)CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019287634 556728242 /nfs/dbraw/zinc/72/82/42/556728242.db2.gz BIFAGZPVULWGBG-KRWDZBQOSA-N 0 3 438.551 3.463 40 0 IGABHN O=C(NCCCc1cn[nH]c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372553 556749031 /nfs/dbraw/zinc/74/90/31/556749031.db2.gz CSFKMDMPCNIXHR-DHIUTWEWSA-N 0 3 434.515 3.229 40 0 IGABHN COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448395 556757922 /nfs/dbraw/zinc/75/79/22/556757922.db2.gz XKBPAEUHHMCFJJ-FQEVSTJZSA-N 0 3 435.528 3.416 40 0 IGABHN COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc21 ZINC000019448395 556757924 /nfs/dbraw/zinc/75/79/24/556757924.db2.gz XKBPAEUHHMCFJJ-FQEVSTJZSA-N 0 3 435.528 3.416 40 0 IGABHN C[C@H]1CCCN(CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)C1 ZINC000019496521 556769157 /nfs/dbraw/zinc/76/91/57/556769157.db2.gz MNQYEGKQWCPDKG-AWEZNQCLSA-N 0 3 432.450 3.158 40 0 IGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3OC)cc2c1 ZINC000001224618 556769756 /nfs/dbraw/zinc/76/97/56/556769756.db2.gz ZKITVBUQKXYSLJ-UHFFFAOYSA-N 0 3 440.569 3.306 40 0 IGABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499330 556771205 /nfs/dbraw/zinc/77/12/05/556771205.db2.gz PCTXDFPXCDUXCF-FCHUYYIVSA-N 0 3 440.540 3.428 40 0 IGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499331 556771242 /nfs/dbraw/zinc/77/12/42/556771242.db2.gz HHJDTXGUTPFTRZ-YADHBBJMSA-N 0 3 440.540 3.428 40 0 IGABHN CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccc(OC)cc1)CC2 ZINC000019526592 556784865 /nfs/dbraw/zinc/78/48/65/556784865.db2.gz LAVUYZSNMKQZHA-UHFFFAOYSA-N 0 3 446.599 3.493 40 0 IGABHN CCOc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)on1 ZINC000019532356 556792848 /nfs/dbraw/zinc/79/28/48/556792848.db2.gz DFCJLOMYMQKFTQ-IBGZPJMESA-N 0 3 443.548 3.022 40 0 IGABHN CCOc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)on1 ZINC000019532356 556792850 /nfs/dbraw/zinc/79/28/50/556792850.db2.gz DFCJLOMYMQKFTQ-IBGZPJMESA-N 0 3 443.548 3.022 40 0 IGABHN COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C3CCCC3)CC4)C2)c1 ZINC000019564085 556804812 /nfs/dbraw/zinc/80/48/12/556804812.db2.gz DZHQLQYYACFZKO-SFHVURJKSA-N 0 3 436.556 3.050 40 0 IGABHN COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C3CCCC3)CC4)C2)c1 ZINC000019564085 556804813 /nfs/dbraw/zinc/80/48/13/556804813.db2.gz DZHQLQYYACFZKO-SFHVURJKSA-N 0 3 436.556 3.050 40 0 IGABHN COc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1OC ZINC000019567751 556807973 /nfs/dbraw/zinc/80/79/73/556807973.db2.gz NRNYATRZMSDTNP-UKPHBRMFSA-N 0 3 425.455 3.495 40 0 IGABHN COc1ccc(CCCNc2nc(C3CCN(C)CC3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019710514 556873693 /nfs/dbraw/zinc/87/36/93/556873693.db2.gz HJAZXOLKSMQRGE-UHFFFAOYSA-N 0 3 437.588 3.244 40 0 IGABHN Cc1cccc(CNCCc2nc(N3CCOCC3)ncc2C(=O)Nc2ccccc2)c1 ZINC000072352106 556923037 /nfs/dbraw/zinc/92/30/37/556923037.db2.gz YMMNIQGBMOCZNT-UHFFFAOYSA-N 0 3 431.540 3.206 40 0 IGABHN Cc1nc([C@H]2CCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072354979 556930144 /nfs/dbraw/zinc/93/01/44/556930144.db2.gz ZHLDOPXDVITFKR-KRWDZBQOSA-N 0 3 441.963 3.348 40 0 IGABHN COc1ccc(-c2ccc3c(c2)C2(CN3C(=O)CCN3CCN(C)CC3)CCOCC2)cc1 ZINC000585106210 557039488 /nfs/dbraw/zinc/03/94/88/557039488.db2.gz WXZDQBJALXBDLO-UHFFFAOYSA-N 0 3 449.595 3.395 40 0 IGABHN CN(C)CCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111591 557203998 /nfs/dbraw/zinc/20/39/98/557203998.db2.gz FZSGIJNGKFIAMS-UHFFFAOYSA-N 0 3 437.565 3.374 40 0 IGABHN Cc1cc(O[C@H]2CN(Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc(C)c1C ZINC000585267888 557207245 /nfs/dbraw/zinc/20/72/45/557207245.db2.gz OYOYDJWSHNIQQX-DQEYMECFSA-N 0 3 438.568 3.237 40 0 IGABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585286094 557225277 /nfs/dbraw/zinc/22/52/77/557225277.db2.gz VOUVKGQSEPKORN-UKILVPOCSA-N 0 3 442.987 3.233 40 0 IGABHN O[C@@]1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287187 557225868 /nfs/dbraw/zinc/22/58/68/557225868.db2.gz KHOKBCASUUXWLH-IEZKXTBUSA-N 0 3 429.532 3.357 40 0 IGABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000057774131 557264008 /nfs/dbraw/zinc/26/40/08/557264008.db2.gz YDBCOGUFWMEXNP-MBSDFSHPSA-N 0 3 427.545 3.205 40 0 IGABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1nccs1 ZINC000223257088 557451645 /nfs/dbraw/zinc/45/16/45/557451645.db2.gz IVPSQRMKMBXMDP-RBUKOAKNSA-N 0 3 426.615 3.480 40 0 IGABHN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223291993 557456541 /nfs/dbraw/zinc/45/65/41/557456541.db2.gz QGKMZRUXMWVSJS-FCHUYYIVSA-N 0 3 449.580 3.193 40 0 IGABHN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223291675 557456554 /nfs/dbraw/zinc/45/65/54/557456554.db2.gz LUOZKHLJLHMTKF-YADHBBJMSA-N 0 3 449.580 3.193 40 0 IGABHN CCOc1cc(CNCCc2ccccc2F)cc(Br)c1OCC(N)=O ZINC000016688334 557475474 /nfs/dbraw/zinc/47/54/74/557475474.db2.gz VYFJMEGVARTDRD-UHFFFAOYSA-N 0 3 425.298 3.183 40 0 IGABHN COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1OC ZINC000020139786 557515753 /nfs/dbraw/zinc/51/57/53/557515753.db2.gz MAAFEGGFRHXHRR-OAQYLSRUSA-N 0 3 442.608 3.485 40 0 IGABHN COc1ccccc1NC(=O)COc1ccc(Br)cc1CNCCN(C)C ZINC000022942441 557528766 /nfs/dbraw/zinc/52/87/66/557528766.db2.gz ORDGVVMBHITJIM-UHFFFAOYSA-N 0 3 436.350 3.126 40 0 IGABHN O=C1CCCN1CCCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585270480 568616651 /nfs/dbraw/zinc/61/66/51/568616651.db2.gz DOALZYNJNHSOHJ-SANMLTNESA-N 0 3 438.568 3.484 40 0 IGABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCN3CCN(C)CC3)c1O)OC2(C)C ZINC000257223069 568675820 /nfs/dbraw/zinc/67/58/20/568675820.db2.gz DVTRXVMDCPGDHU-MISYRCLQSA-N 0 3 429.605 3.450 40 0 IGABHN CC(=O)Nc1ccc(NC(=O)CN2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)cc1 ZINC000257225403 568676716 /nfs/dbraw/zinc/67/67/16/568676716.db2.gz FGAXLBNLEJFTQE-FQEVSTJZSA-N 0 3 445.567 3.238 40 0 IGABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257243838 568685494 /nfs/dbraw/zinc/68/54/94/568685494.db2.gz IITOCFMPRRMHCE-LJQANCHMSA-N 0 3 430.574 3.198 40 0 IGABHN CCCn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257243770 568685515 /nfs/dbraw/zinc/68/55/15/568685515.db2.gz IIMLKTDGACDNJY-SFHLNBCPSA-N 0 3 449.555 3.324 40 0 IGABHN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](N)CCSC)CC[C@H]3O[C@@H]21 ZINC000257266193 568695845 /nfs/dbraw/zinc/69/58/45/568695845.db2.gz MBYHPZOZRDKDSX-SEEKVXKWSA-N 0 3 434.602 3.241 40 0 IGABHN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)CCSC)CC[C@H]3O[C@@H]21 ZINC000257266191 568695900 /nfs/dbraw/zinc/69/59/00/568695900.db2.gz MBYHPZOZRDKDSX-FXTJJVCJSA-N 0 3 434.602 3.241 40 0 IGABHN COc1cccc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)c1 ZINC000257272731 568698940 /nfs/dbraw/zinc/69/89/40/568698940.db2.gz NDPJIUQELMHGBM-DBXWQHBBSA-N 0 3 435.524 3.279 40 0 IGABHN CN1CCN([C@H]2CC[C@](CNC(=O)CC3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257298292 568710707 /nfs/dbraw/zinc/71/07/07/568710707.db2.gz RLBPEKZVXRWCMB-GNKBHMEESA-N 0 3 427.633 3.172 40 0 IGABHN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC[C@H]21 ZINC000257327782 568723308 /nfs/dbraw/zinc/72/33/08/568723308.db2.gz XCSNYVUZPPZBQA-PQNGQFLHSA-N 0 3 431.540 3.146 40 0 IGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133388 568767968 /nfs/dbraw/zinc/76/79/68/568767968.db2.gz MKBKOLOQFVZTGD-AHKZPQOWSA-N 0 3 442.563 3.491 40 0 IGABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133943 568768140 /nfs/dbraw/zinc/76/81/40/568768140.db2.gz MZUVAXBPEAOBIO-RCZVLFRGSA-N 0 3 447.587 3.094 40 0 IGABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140184 568771415 /nfs/dbraw/zinc/77/14/15/568771415.db2.gz UMJWDPZYGZCGQF-LADGPHEKSA-N 0 3 434.565 3.244 40 0 IGABHN Cc1ncsc1CN1CC[C@@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141004 568771845 /nfs/dbraw/zinc/77/18/45/568771845.db2.gz VIQMDTKLBFKSNL-GBXCKJPGSA-N 0 3 448.596 3.094 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143827 568773385 /nfs/dbraw/zinc/77/33/85/568773385.db2.gz YNQANIFDPKKRRV-WIOPSUGQSA-N 0 3 430.556 3.272 40 0 IGABHN COc1cccc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1OC ZINC000248098771 569206982 /nfs/dbraw/zinc/20/69/82/569206982.db2.gz HCIFCDIAXQTEAD-DHIUTWEWSA-N 0 3 439.600 3.493 40 0 IGABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000019498883 569226833 /nfs/dbraw/zinc/22/68/33/569226833.db2.gz KIMUWKWTVCEMJL-OZXSUGGESA-N 0 3 438.568 3.401 40 0 IGABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCc2c(C)noc2C)cc1 ZINC000019698722 569230166 /nfs/dbraw/zinc/23/01/66/569230166.db2.gz HOXUOPAKVSVEOT-UHFFFAOYSA-N 0 3 437.544 3.472 40 0 IGABHN Cc1nc([C@H]2CCN(Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738806 569236052 /nfs/dbraw/zinc/23/60/52/569236052.db2.gz ZEPWGIOEJYITQX-SFHVURJKSA-N 0 3 430.556 3.298 40 0 IGABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171592 291354216 /nfs/dbraw/zinc/35/42/16/291354216.db2.gz NHPHVXDZZWUXGO-ZEQRLZLVSA-N 0 3 445.611 3.460 40 0 biogenic,in-vitro IGABHN CC1=C[C@@H](CNC(=O)NCc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880305 291354696 /nfs/dbraw/zinc/35/46/96/291354696.db2.gz GMGVYGVZBBVUAN-VABKMULXSA-N 0 3 428.621 3.408 40 0 biogenic,in-vitro IGABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)N2CCN(C)CC2)C3)no1 ZINC000049171918 291360079 /nfs/dbraw/zinc/36/00/79/291360079.db2.gz IBWSWWZTOPJDCR-GOTSBHOMSA-N 0 3 449.599 3.362 40 0 biogenic,in-vitro IGABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039742291 556438172 /nfs/dbraw/zinc/43/81/72/556438172.db2.gz DQWLDBOOEKSXBW-UHFFFAOYSA-N 0 3 425.504 3.149 40 0 IGABHN COc1c(C)cccc1CN1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019236011 556720537 /nfs/dbraw/zinc/72/05/37/556720537.db2.gz CVFKKYUDQNRZAL-SFTDATJTSA-N 0 3 437.588 3.134 40 0 IGABHN O=C(CN1CCC(Cc2ccccc2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370592 556747859 /nfs/dbraw/zinc/74/78/59/556747859.db2.gz AQFXCWWCDGVMGY-QHCPKHFHSA-N 0 3 448.611 3.240 40 0 IGABHN O=C(CCCn1ccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019403590 556754192 /nfs/dbraw/zinc/75/41/92/556754192.db2.gz ZKJDPGMDPBGRMP-NRFANRHFSA-N 0 3 438.576 3.213 40 0 IGABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448341 556757455 /nfs/dbraw/zinc/75/74/55/556757455.db2.gz RSGZFYSHCFIBBT-QFIPXVFZSA-N 0 3 437.588 3.311 40 0 IGABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448341 556757456 /nfs/dbraw/zinc/75/74/56/556757456.db2.gz RSGZFYSHCFIBBT-QFIPXVFZSA-N 0 3 437.588 3.311 40 0 IGABHN COc1ccc2cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448411 556758112 /nfs/dbraw/zinc/75/81/12/556758112.db2.gz ZNLLNEQJAKADKP-NRFANRHFSA-N 0 3 435.528 3.416 40 0 IGABHN COc1ccc2cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448411 556758114 /nfs/dbraw/zinc/75/81/14/556758114.db2.gz ZNLLNEQJAKADKP-NRFANRHFSA-N 0 3 435.528 3.416 40 0 IGABHN C[C@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496356 556769065 /nfs/dbraw/zinc/76/90/65/556769065.db2.gz NJMOLRQUPLKFOP-AWEZNQCLSA-N 0 3 432.450 3.301 40 0 IGABHN C[C@H]1Cc2cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497858 556770235 /nfs/dbraw/zinc/77/02/35/556770235.db2.gz KZGJRDISBGFNIZ-MHECFPHRSA-N 0 3 428.598 3.385 40 0 IGABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4OC)CC3)ccc21 ZINC000019498877 556770650 /nfs/dbraw/zinc/77/06/50/556770650.db2.gz NZZUNHVJIFFLSJ-QHCPKHFHSA-N 0 3 438.568 3.401 40 0 IGABHN CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000019526594 556784955 /nfs/dbraw/zinc/78/49/55/556784955.db2.gz JYNPVGFRGPDWJV-UHFFFAOYSA-N 0 3 446.599 3.493 40 0 IGABHN COc1cc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000019549803 556794974 /nfs/dbraw/zinc/79/49/74/556794974.db2.gz KIGKGCMFWIBDLT-OAHLLOKOSA-N 0 3 429.546 3.340 40 0 IGABHN COc1ccc(OC)c(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019551493 556795706 /nfs/dbraw/zinc/79/57/06/556795706.db2.gz CZKFAEYRVOYFPS-SANMLTNESA-N 0 3 446.551 3.471 40 0 IGABHN CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)Cc3ccc(-c4ccccn4)cc3)cc2)C1 ZINC000019699214 556858312 /nfs/dbraw/zinc/85/83/12/556858312.db2.gz WMWRXPMJMRTPRF-RPBOFIJWSA-N 0 3 442.563 3.428 40 0 IGABHN CNC(=O)c1cn(C)nc1CC1CCN(Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000019756635 556900519 /nfs/dbraw/zinc/90/05/19/556900519.db2.gz HNWGYXMVXKLEAI-UHFFFAOYSA-N 0 3 434.588 3.345 40 0 IGABHN CCn1c2ccc(CN3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cc2n(CC)c1=O ZINC000019761748 556905227 /nfs/dbraw/zinc/90/52/27/556905227.db2.gz YWCREVNYQQPKIZ-SFHVURJKSA-N 0 3 443.551 3.479 40 0 IGABHN Cc1c(CN2CCC(O)(c3cccnc3F)CC2)c2ccccc2n1CC(=O)NC1CC1 ZINC000072340003 556911968 /nfs/dbraw/zinc/91/19/68/556911968.db2.gz BSXIYVHPTVPUFU-UHFFFAOYSA-N 0 3 436.531 3.246 40 0 IGABHN O=C1NC(=O)C2(CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)[C@@H]1c1ccccc1 ZINC000072341663 556914102 /nfs/dbraw/zinc/91/41/02/556914102.db2.gz GZDQIEMIVXFUEN-HXUWFJFHSA-N 0 3 431.492 3.035 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019819144 556922042 /nfs/dbraw/zinc/92/20/42/556922042.db2.gz ABSVYQPWBFWBQY-LJQANCHMSA-N 0 3 439.443 3.223 40 0 IGABHN CC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000072356332 556930983 /nfs/dbraw/zinc/93/09/83/556930983.db2.gz WCXMFHVKNVDCNQ-LJQANCHMSA-N 0 3 429.586 3.235 40 0 IGABHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373053 556945441 /nfs/dbraw/zinc/94/54/41/556945441.db2.gz BHBSLIMPKSRXNY-YADHBBJMSA-N 0 3 434.584 3.165 40 0 IGABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394869 556966213 /nfs/dbraw/zinc/96/62/13/556966213.db2.gz QJGDJMGWLHRFTJ-ZEQRLZLVSA-N 0 3 449.595 3.256 40 0 IGABHN COc1ncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cc1C ZINC000585109521 557041782 /nfs/dbraw/zinc/04/17/82/557041782.db2.gz VTBABTGMNNYHGP-QIJUGHKUSA-N 0 3 445.510 3.220 40 0 IGABHN CCc1ccc(NC(=O)CN2C[C@]3(NC(C)=O)CN(C)CC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000585262204 557201157 /nfs/dbraw/zinc/20/11/57/557201157.db2.gz OURMQKUTBAPNLX-LGPLSSKUSA-N 0 3 434.584 3.071 40 0 IGABHN CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585280732 557220475 /nfs/dbraw/zinc/22/04/75/557220475.db2.gz RWLMUKPWKLGKLG-UHFFFAOYSA-N 0 3 430.520 3.137 40 0 IGABHN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000219223029 557231882 /nfs/dbraw/zinc/23/18/82/557231882.db2.gz HDJOISVWLRXEKI-UHFFFAOYSA-N 0 3 429.542 3.087 40 0 IGABHN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000585293958 557233856 /nfs/dbraw/zinc/23/38/56/557233856.db2.gz DXFZZNHMUAGPDB-UHFFFAOYSA-N 0 3 445.535 3.010 40 0 IGABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1cccnc1 ZINC000223256538 557451561 /nfs/dbraw/zinc/45/15/61/557451561.db2.gz OISSWFRBHRPMIA-PKTZIBPZSA-N 0 3 434.613 3.477 40 0 IGABHN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223291781 557456583 /nfs/dbraw/zinc/45/65/83/557456583.db2.gz LUOZKHLJLHMTKF-VXKWHMMOSA-N 0 3 449.580 3.193 40 0 IGABHN Clc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140787 557516025 /nfs/dbraw/zinc/51/60/25/557516025.db2.gz BMFJJYUOOXTTKS-NHCUHLMSSA-N 0 3 430.984 3.155 40 0 IGABHN Cc1cc(C)cc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1 ZINC000224813585 557654560 /nfs/dbraw/zinc/65/45/60/557654560.db2.gz JJSBQYAHVVSUHG-UHFFFAOYSA-N 0 3 443.613 3.372 40 0 IGABHN Cc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1 ZINC000224813307 557654606 /nfs/dbraw/zinc/65/46/06/557654606.db2.gz KCUSBXUPRQBMLQ-UHFFFAOYSA-N 0 3 429.586 3.063 40 0 IGABHN CN1CCC(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000225571512 557744654 /nfs/dbraw/zinc/74/46/54/557744654.db2.gz XFYPSBLGOHZQJY-UHFFFAOYSA-N 0 3 443.569 3.196 40 0 IGABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COCCN4CCCC4=O)C3)c2)cc1 ZINC000257234964 568681282 /nfs/dbraw/zinc/68/12/82/568681282.db2.gz GVUPPWFEZUIHJY-HXUWFJFHSA-N 0 3 436.556 3.397 40 0 IGABHN Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@H]2Cc1ccccc1 ZINC000257294928 568708959 /nfs/dbraw/zinc/70/89/59/568708959.db2.gz QWHRMQNOQISNPI-KHFRZORUSA-N 0 3 442.629 3.366 40 0 IGABHN CN(Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257327017 568723147 /nfs/dbraw/zinc/72/31/47/568723147.db2.gz WZNOENQNXYRBFN-PQNGQFLHSA-N 0 3 441.572 3.036 40 0 IGABHN COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(OC)cc4)n23)cc1 ZINC000306124213 568763225 /nfs/dbraw/zinc/76/32/25/568763225.db2.gz BJMGCSAEHJHTPJ-UHFFFAOYSA-N 0 3 433.556 3.399 40 0 IGABHN Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126489 568764158 /nfs/dbraw/zinc/76/41/58/568764158.db2.gz DXLMVBOELGXHOX-XUZZJYLKSA-N 0 3 434.565 3.244 40 0 IGABHN O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(Cc3ccsc3)CC1)COC2 ZINC000306128708 568765386 /nfs/dbraw/zinc/76/53/86/568765386.db2.gz HITHPVRCOAOKEA-UHFFFAOYSA-N 0 3 429.590 3.215 40 0 IGABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccccn3)CC1)CCN(Cc1ccccc1)C2 ZINC000306137690 568770146 /nfs/dbraw/zinc/77/01/46/568770146.db2.gz RDDUXRYQWLAUGI-UHFFFAOYSA-N 0 3 441.579 3.035 40 0 IGABHN CCc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137483 568770271 /nfs/dbraw/zinc/77/02/71/568770271.db2.gz QXMUHQAWHPXKMZ-BDYUSTAISA-N 0 3 442.563 3.436 40 0 IGABHN O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)N2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713943 569235771 /nfs/dbraw/zinc/23/57/71/569235771.db2.gz ZYKVKDNXWFDCIV-XPWALMASSA-N 0 3 437.563 3.460 40 0 IGABHN Cc1nc([C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763225 569237926 /nfs/dbraw/zinc/23/79/26/569237926.db2.gz IBRKODBWAYEIGA-JOCHJYFZSA-N 0 3 449.599 3.493 40 0 IGABHN CC(C)Oc1cccc(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1 ZINC000019765894 569239038 /nfs/dbraw/zinc/23/90/38/569239038.db2.gz BPYRXXKCPIXHLK-UHFFFAOYSA-N 0 3 438.572 3.303 40 0 IGABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252514994 569288176 /nfs/dbraw/zinc/28/81/76/569288176.db2.gz FRTPTKAXFMZUJC-TXTKFYIRSA-N 0 3 446.569 3.166 40 0 IGABHN CN(C)CCCNc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329023562 569582818 /nfs/dbraw/zinc/58/28/18/569582818.db2.gz OUYRLHQROKFJIS-UHFFFAOYSA-N 0 3 435.429 3.898 40 0 IGABHN CCN(CC)CCn1c2ccccc2nc(Cc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000000689870 291355194 /nfs/dbraw/zinc/35/51/94/291355194.db2.gz OINOHOVKZAANQI-UHFFFAOYSA-N 0 3 425.529 3.355 40 0 biogenic,in-vitro IGABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000008636246 291361637 /nfs/dbraw/zinc/36/16/37/291361637.db2.gz FYNRVXULPGGACF-WRALFONMSA-N 0 3 433.600 3.341 40 0 biogenic,in-vitro IGABHN CC(=O)C1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000036370347 556306995 /nfs/dbraw/zinc/30/69/95/556306995.db2.gz FFOUXBGFXPURFH-HFSMHLIXSA-N 0 3 444.413 3.349 40 0 IGABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000015240826 556513387 /nfs/dbraw/zinc/51/33/87/556513387.db2.gz VGEBQTXHXAHOKY-PZJWPPBQSA-N 0 3 447.560 3.491 40 0 IGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000100932138 556611681 /nfs/dbraw/zinc/61/16/81/556611681.db2.gz WVDKNKYAZHNKRD-VABKMULXSA-N 0 3 446.459 3.461 40 0 IGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964014 556630986 /nfs/dbraw/zinc/63/09/86/556630986.db2.gz XDHMSHJOGLEKRW-WIYYLYMNSA-N 0 3 432.480 3.334 40 0 IGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964013 556631147 /nfs/dbraw/zinc/63/11/47/556631147.db2.gz XDHMSHJOGLEKRW-RXVVDRJESA-N 0 3 432.480 3.334 40 0 IGABHN COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552266 556795882 /nfs/dbraw/zinc/79/58/82/556795882.db2.gz JDYYAKIGKVZYAJ-QANKJYHBSA-N 0 3 425.455 3.495 40 0 IGABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556780 556799335 /nfs/dbraw/zinc/79/93/35/556799335.db2.gz XGUFEUCPETYMAY-BTYIYWSLSA-N 0 3 440.592 3.070 40 0 IGABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556780 556799337 /nfs/dbraw/zinc/79/93/37/556799337.db2.gz XGUFEUCPETYMAY-BTYIYWSLSA-N 0 3 440.592 3.070 40 0 IGABHN COc1ccc(CN2CCc3c(nc(-c4ccncc4)nc3N(C)CCN(C)C)C2)cc1 ZINC000019582497 556820436 /nfs/dbraw/zinc/82/04/36/556820436.db2.gz SWJUHZCUXPCQRV-UHFFFAOYSA-N 0 3 432.572 3.103 40 0 IGABHN CNC(=O)c1[nH]c(C2CCN(Cc3cccnc3N(C)C)CC2)nc1-c1ccc(OC)cc1 ZINC000019697003 556854088 /nfs/dbraw/zinc/85/40/88/556854088.db2.gz QWMOXHQHQAKPSY-UHFFFAOYSA-N 0 3 448.571 3.286 40 0 IGABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NC[C@@H](C)Oc3ccc(C)cc3)c2C1 ZINC000019710445 556873214 /nfs/dbraw/zinc/87/32/14/556873214.db2.gz NRVPMWRGZYUVQC-GOSISDBHSA-N 0 3 437.588 3.378 40 0 IGABHN Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752779 556896453 /nfs/dbraw/zinc/89/64/53/556896453.db2.gz PCGNUATWKMXGKL-NRFANRHFSA-N 0 3 432.572 3.479 40 0 IGABHN CN(C)c1ncccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756616 556900380 /nfs/dbraw/zinc/90/03/80/556900380.db2.gz HLQCXCRINKIWAI-UHFFFAOYSA-N 0 3 446.599 3.266 40 0 IGABHN Cc1noc(C)c1COc1ccc(CN2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756626 556900456 /nfs/dbraw/zinc/90/04/56/556900456.db2.gz JXLQELMADVTRSC-UHFFFAOYSA-N 0 3 437.544 3.158 40 0 IGABHN CCN(CC)CC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371880 556941110 /nfs/dbraw/zinc/94/11/10/556941110.db2.gz RBOJCVNHYXTLGG-OAQYLSRUSA-N 0 3 435.572 3.270 40 0 IGABHN COc1ccc([C@@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)N(C)C)cc1 ZINC000072373227 556945682 /nfs/dbraw/zinc/94/56/82/556945682.db2.gz QGYOSAZKLRDSKB-HSZRJFAPSA-N 0 3 448.571 3.407 40 0 IGABHN Cc1cccc(C(=O)N2CCC3(C[C@@H](CC(=O)NCCN(C)C)c4ccccc43)CC2)n1 ZINC000096052898 557166424 /nfs/dbraw/zinc/16/64/24/557166424.db2.gz CHDQOCGRMNWCEA-HXUWFJFHSA-N 0 3 434.584 3.119 40 0 IGABHN Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243875 557188339 /nfs/dbraw/zinc/18/83/39/557188339.db2.gz YYPVRVSOIBVIPM-NRFANRHFSA-N 0 3 435.503 3.254 40 0 IGABHN Cc1nccn1CCCOc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585292376 557230306 /nfs/dbraw/zinc/23/03/06/557230306.db2.gz IIRLFQLBIPQVEZ-UBFVSLLYSA-N 0 3 439.531 3.121 40 0 IGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585292196 557230404 /nfs/dbraw/zinc/23/04/04/557230404.db2.gz FTTVEGKVGNPYBZ-WXFUMESZSA-N 0 3 429.532 3.221 40 0 IGABHN CN1CCC(Oc2ccc(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)CC1 ZINC000222564632 557353326 /nfs/dbraw/zinc/35/33/26/557353326.db2.gz VMIDUGNZZXRJQW-UHFFFAOYSA-N 0 3 443.569 3.342 40 0 IGABHN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223291473 557456257 /nfs/dbraw/zinc/45/62/57/557456257.db2.gz SDOIQXIGGONUQL-FCHUYYIVSA-N 0 3 449.580 3.193 40 0 IGABHN COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1OC ZINC000020139789 557515758 /nfs/dbraw/zinc/51/57/58/557515758.db2.gz MAAFEGGFRHXHRR-NRFANRHFSA-N 0 3 442.608 3.485 40 0 IGABHN Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 ZINC000224813384 557654543 /nfs/dbraw/zinc/65/45/43/557654543.db2.gz WXSCKCCLBKUNJD-UHFFFAOYSA-N 0 3 429.586 3.063 40 0 IGABHN Cn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)cc2sc1=O ZINC000224854267 557659031 /nfs/dbraw/zinc/65/90/31/557659031.db2.gz PXEIOOYOHQAYTB-UHFFFAOYSA-N 0 3 431.583 3.064 40 0 IGABHN CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225773744 557775813 /nfs/dbraw/zinc/77/58/13/557775813.db2.gz WMKZVTPEQJLVPG-UHFFFAOYSA-N 0 3 426.586 3.348 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585287667 568619277 /nfs/dbraw/zinc/61/92/77/568619277.db2.gz QQBRLQRWNNUZHR-IMRHEYAYSA-N 0 3 427.532 3.374 40 0 IGABHN CC(=O)Nc1ccc(NC(=O)CN2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)cc1 ZINC000257225404 568676708 /nfs/dbraw/zinc/67/67/08/568676708.db2.gz FGAXLBNLEJFTQE-HXUWFJFHSA-N 0 3 445.567 3.238 40 0 IGABHN Cc1nccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257341046 568728865 /nfs/dbraw/zinc/72/88/65/568728865.db2.gz ZIPWJHFPTDDZOB-OAQYLSRUSA-N 0 3 443.935 3.180 40 0 IGABHN Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257341045 568729007 /nfs/dbraw/zinc/72/90/07/568729007.db2.gz ZIPWJHFPTDDZOB-NRFANRHFSA-N 0 3 443.935 3.180 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129608 568765852 /nfs/dbraw/zinc/76/58/52/568765852.db2.gz IHZVWBORQPNPJG-RDGATRHJSA-N 0 3 430.556 3.272 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4Cl)C[C@H]2C3)cc1 ZINC000306132479 568767408 /nfs/dbraw/zinc/76/74/08/568767408.db2.gz LKOVDSZOURIXNM-IAGOWNOFSA-N 0 3 437.931 3.497 40 0 IGABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133944 568768151 /nfs/dbraw/zinc/76/81/51/568768151.db2.gz MZUVAXBPEAOBIO-RDGATRHJSA-N 0 3 447.587 3.094 40 0 IGABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140731 568771683 /nfs/dbraw/zinc/77/16/83/568771683.db2.gz VCJXPADGJDBDSR-LADGPHEKSA-N 0 3 434.565 3.244 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143825 568773334 /nfs/dbraw/zinc/77/33/34/568773334.db2.gz YNQANIFDPKKRRV-RCZVLFRGSA-N 0 3 430.556 3.272 40 0 IGABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000306143671 568773415 /nfs/dbraw/zinc/77/34/15/568773415.db2.gz YIMZZRNANAEWEB-QHCPKHFHSA-N 0 3 425.548 3.150 40 0 IGABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000247875654 569206264 /nfs/dbraw/zinc/20/62/64/569206264.db2.gz GOBCVBYSUUZRQR-BPUDTRNYSA-N 0 3 439.556 3.347 40 0 IGABHN O=C(CN1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370570 569226600 /nfs/dbraw/zinc/22/66/00/569226600.db2.gz DANDSPJTPYRIPI-XZOQPEGZSA-N 0 3 448.611 3.240 40 0 IGABHN C[C@H]1Cc2cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497856 569226807 /nfs/dbraw/zinc/22/68/07/569226807.db2.gz KZGJRDISBGFNIZ-UUOWRZLLSA-N 0 3 428.598 3.385 40 0 IGABHN COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3cnn(C)c3C)CC2)nc1N ZINC000019765954 569239086 /nfs/dbraw/zinc/23/90/86/569239086.db2.gz GAWJJIPPUZTFAS-UHFFFAOYSA-N 0 3 434.544 3.346 40 0 IGABHN COc1cc2c(cc1CN1CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698960 569327053 /nfs/dbraw/zinc/32/70/53/569327053.db2.gz YULKETIKFSJIRS-KRWDZBQOSA-N 0 3 448.523 3.335 40 0 IGABHN Cc1nc(-c2ccc(CNC(=O)[C@@H](Cc3ccccc3)N3CCCC3)cc2)ccc1C(N)=O ZINC000019700599 569327268 /nfs/dbraw/zinc/32/72/68/569327268.db2.gz SXUWUYHXAPYHFK-RUZDIDTESA-N 0 3 442.563 3.479 40 0 IGABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299241 291356728 /nfs/dbraw/zinc/35/67/28/291356728.db2.gz GCYBGAIBKCRKOK-SMIHKQSGSA-N 0 3 445.567 3.085 40 0 biogenic,in-vitro IGABHN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NCC(C)C)n(C)n1 ZINC000012602005 291359088 /nfs/dbraw/zinc/35/90/88/291359088.db2.gz PVPRVEBNSRAFPN-NSHGMRRFSA-N 0 3 441.645 3.394 40 0 biogenic,in-vitro IGABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096296359 291359569 /nfs/dbraw/zinc/35/95/69/291359569.db2.gz RDMRPZITKJUYBU-SFHVURJKSA-N 0 3 431.945 3.296 40 0 biogenic,in-vitro IGABHN CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(CO)o4)C2)C3)cc1 ZINC000020503535 519708063 /nfs/dbraw/zinc/70/80/63/519708063.db2.gz WCIOZHJVBGOHNL-PKOBYXMFSA-N 0 3 433.508 3.178 40 0 biogenic,in-vitro IGABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709941 521282818 /nfs/dbraw/zinc/28/28/18/521282818.db2.gz HGDVJZFUMXFOFB-UHFFFAOYSA-N 0 3 430.618 3.498 40 0 IGABHN COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 ZINC000040935311 525543520 /nfs/dbraw/zinc/54/35/20/525543520.db2.gz ROFMCPHQNWGXGE-SFHVURJKSA-N 0 3 436.512 3.216 40 0 IGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000012859392 526237866 /nfs/dbraw/zinc/23/78/66/526237866.db2.gz MWPMSHAXOHRZSG-PHJBHIMUSA-N 0 3 439.596 3.341 40 0 IGABHN Cc1ccccc1CN1CCC(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000039763584 556436649 /nfs/dbraw/zinc/43/66/49/556436649.db2.gz MBXSKJUSZZHJJK-UHFFFAOYSA-N 0 3 441.597 3.047 40 0 IGABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccccc3F)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257205265 556701670 /nfs/dbraw/zinc/70/16/70/556701670.db2.gz AYHFEQLYSKPFSO-GNKBHMEESA-N 0 3 439.575 3.044 40 0 IGABHN COc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OCCN1CCOCC1 ZINC000019208595 556708214 /nfs/dbraw/zinc/70/82/14/556708214.db2.gz KBKFSKGNJYBXGL-UHFFFAOYSA-N 0 3 440.584 3.198 40 0 IGABHN Cc1ccc(C2(O)CCN(Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1 ZINC000019208612 556708278 /nfs/dbraw/zinc/70/82/78/556708278.db2.gz QUQUGYKRMJGYOM-UHFFFAOYSA-N 0 3 447.579 3.292 40 0 IGABHN O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332370 556737588 /nfs/dbraw/zinc/73/75/88/556737588.db2.gz ANQQANGNKUODFP-VXKWHMMOSA-N 0 3 440.515 3.337 40 0 IGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347689 556743594 /nfs/dbraw/zinc/74/35/94/556743594.db2.gz DSJRLLXGMSUEIF-ROUUACIJSA-N 0 3 436.531 3.253 40 0 IGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347689 556743595 /nfs/dbraw/zinc/74/35/95/556743595.db2.gz DSJRLLXGMSUEIF-ROUUACIJSA-N 0 3 436.531 3.253 40 0 IGABHN CC(C)N1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448421 556757904 /nfs/dbraw/zinc/75/79/04/556757904.db2.gz KNMBFSVFPNUKTE-SFHVURJKSA-N 0 3 436.965 3.128 40 0 IGABHN C[C@@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496355 556769202 /nfs/dbraw/zinc/76/92/02/556769202.db2.gz NJMOLRQUPLKFOP-CQSZACIVSA-N 0 3 432.450 3.301 40 0 IGABHN CCN(CCN(C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2 ZINC000019526589 556784995 /nfs/dbraw/zinc/78/49/95/556784995.db2.gz QDZMDBUZCAUGMO-UHFFFAOYSA-N 0 3 446.599 3.493 40 0 IGABHN COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C3CCCC3)CC4)C2)c1 ZINC000019564082 556804818 /nfs/dbraw/zinc/80/48/18/556804818.db2.gz DZHQLQYYACFZKO-GOSISDBHSA-N 0 3 436.556 3.050 40 0 IGABHN COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C3CCCC3)CC4)C2)c1 ZINC000019564082 556804820 /nfs/dbraw/zinc/80/48/20/556804820.db2.gz DZHQLQYYACFZKO-GOSISDBHSA-N 0 3 436.556 3.050 40 0 IGABHN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)ccc1F ZINC000019570776 556811141 /nfs/dbraw/zinc/81/11/41/556811141.db2.gz KJBPVTALNJDOMI-HXUWFJFHSA-N 0 3 448.564 3.312 40 0 IGABHN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)ccc1F ZINC000019570776 556811142 /nfs/dbraw/zinc/81/11/42/556811142.db2.gz KJBPVTALNJDOMI-HXUWFJFHSA-N 0 3 448.564 3.312 40 0 IGABHN CNc1cc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)nc(-c2cccnc2)n1 ZINC000019592232 556828421 /nfs/dbraw/zinc/82/84/21/556828421.db2.gz SUCJSOYBNUODKI-UHFFFAOYSA-N 0 3 443.555 3.150 40 0 IGABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](c2ccc(-c3cnn(C)c3)cn2)C1 ZINC000019689142 556843663 /nfs/dbraw/zinc/84/36/63/556843663.db2.gz AQPWCFZCLOHDQA-FQEVSTJZSA-N 0 3 433.556 3.442 40 0 IGABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1 ZINC000019689140 556843696 /nfs/dbraw/zinc/84/36/96/556843696.db2.gz AQPWCFZCLOHDQA-HXUWFJFHSA-N 0 3 433.556 3.442 40 0 IGABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)c1c(C)n(CCOC)c3ccccc31)C2 ZINC000019707492 556867533 /nfs/dbraw/zinc/86/75/33/556867533.db2.gz RMTMYCHLYNFFEE-IBGZPJMESA-N 0 3 448.571 3.051 40 0 IGABHN Cc1nc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019707810 556867763 /nfs/dbraw/zinc/86/77/63/556867763.db2.gz RNKUWTLELGRMEI-NRFANRHFSA-N 0 3 448.615 3.181 40 0 IGABHN COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCCN(C3CCOCC3)C1)nc2C ZINC000019743902 556889133 /nfs/dbraw/zinc/88/91/33/556889133.db2.gz VMXPAOWGPUGOSU-LJQANCHMSA-N 0 3 436.556 3.241 40 0 IGABHN Cc1nc([C@@H]2CCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072354978 556930160 /nfs/dbraw/zinc/93/01/60/556930160.db2.gz ZHLDOPXDVITFKR-QGZVFWFLSA-N 0 3 441.963 3.348 40 0 IGABHN Cc1nn(C)cc1CN1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370558 556935404 /nfs/dbraw/zinc/93/54/04/556935404.db2.gz PHUZZIDTSLXDMG-SFHVURJKSA-N 0 3 426.586 3.263 40 0 IGABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398788 556970643 /nfs/dbraw/zinc/97/06/43/556970643.db2.gz XGUFEUCPETYMAY-VFNWGFHPSA-N 0 3 440.592 3.070 40 0 IGABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398788 556970645 /nfs/dbraw/zinc/97/06/45/556970645.db2.gz XGUFEUCPETYMAY-VFNWGFHPSA-N 0 3 440.592 3.070 40 0 IGABHN CCCC(=O)N1CCc2nc(C3CC[NH+](CC4=Cc5ccccc5OC4)CC3)[n-]c(=O)c2C1 ZINC000072398994 556971156 /nfs/dbraw/zinc/97/11/56/556971156.db2.gz LUYNCPUZRVGLRK-UHFFFAOYSA-N 0 3 448.567 3.110 40 0 IGABHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101506749 557124468 /nfs/dbraw/zinc/12/44/68/557124468.db2.gz XRIBIFLLYHAMCH-SCTDSRPQSA-N 0 3 442.025 3.025 40 0 IGABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(F)cc1 ZINC000006198580 557150327 /nfs/dbraw/zinc/15/03/27/557150327.db2.gz DTOMTALZBRMIMT-UHFFFAOYSA-N 0 3 442.516 3.157 40 0 IGABHN Cc1ccc(CN2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)cc1C ZINC000096242514 557186521 /nfs/dbraw/zinc/18/65/21/557186521.db2.gz URUPRIHLFKSBHX-UHFFFAOYSA-N 0 3 427.614 3.459 40 0 IGABHN CC(=O)N[C@]12CN(CC(=O)Nc3cccc(C)c3C)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000585262119 557200957 /nfs/dbraw/zinc/20/09/57/557200957.db2.gz SXQQXRUAMXANPP-DNRSQYFGSA-N 0 3 434.584 3.125 40 0 IGABHN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000057774130 557264027 /nfs/dbraw/zinc/26/40/27/557264027.db2.gz YDBCOGUFWMEXNP-FDDCHVKYSA-N 0 3 427.545 3.205 40 0 IGABHN COc1ccc(CCn2nnnc2[C@@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1OC ZINC000022929975 557274241 /nfs/dbraw/zinc/27/42/41/557274241.db2.gz JTZZEVKLHRJYQM-HSZRJFAPSA-N 0 3 442.608 3.190 40 0 IGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281850 557455585 /nfs/dbraw/zinc/45/55/85/557455585.db2.gz CERLMMWREAACCI-WOJBJXKFSA-N 0 3 426.977 3.455 40 0 IGABHN Clc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140783 557515905 /nfs/dbraw/zinc/51/59/05/557515905.db2.gz BMFJJYUOOXTTKS-SFTDATJTSA-N 0 3 430.984 3.155 40 0 IGABHN CN(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224246796 557580914 /nfs/dbraw/zinc/58/09/14/557580914.db2.gz OEJZKHKSARRZLE-UHFFFAOYSA-N 0 3 430.357 3.110 40 0 IGABHN Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c(C)c1 ZINC000224813458 557654593 /nfs/dbraw/zinc/65/45/93/557654593.db2.gz GYDLWVBURYOHDS-UHFFFAOYSA-N 0 3 443.613 3.372 40 0 IGABHN C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224815936 557655072 /nfs/dbraw/zinc/65/50/72/557655072.db2.gz RLMRENUPJJSZPO-LJQANCHMSA-N 0 3 429.586 3.143 40 0 IGABHN CCN(c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)S(C)(=O)=O ZINC000224829994 557656385 /nfs/dbraw/zinc/65/63/85/557656385.db2.gz SDDFCFHPQBUKRJ-UHFFFAOYSA-N 0 3 429.586 3.388 40 0 IGABHN CN(CCCC(=O)NCc1ccccc1CN1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224841542 557657467 /nfs/dbraw/zinc/65/74/67/557657467.db2.gz YQFHPJNWRZUXPH-UHFFFAOYSA-N 0 3 443.613 3.390 40 0 IGABHN CCc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)N(C)C[C@]3(NC(C)=O)C2)cc1 ZINC000257232115 568680154 /nfs/dbraw/zinc/68/01/54/568680154.db2.gz GJMAJMWXYLNAEH-ARMFNRFLSA-N 0 3 434.584 3.071 40 0 IGABHN Cc1nccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257318465 568719526 /nfs/dbraw/zinc/71/95/26/568719526.db2.gz VOBBKEFOZIKUSX-OAQYLSRUSA-N 0 3 443.935 3.180 40 0 IGABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127993 568764990 /nfs/dbraw/zinc/76/49/90/568764990.db2.gz GNJSCTVBBOXUFC-NOZRDPDXSA-N 0 3 432.499 3.013 40 0 IGABHN O=C(NC1CCCC1)c1nnc2n1C[C@@]1(CCN(Cc3ccc4ccccc4c3)C1)OC2 ZINC000306131289 568766781 /nfs/dbraw/zinc/76/67/81/568766781.db2.gz KAFNKQIPNZZDBW-VWLOTQADSA-N 0 3 431.540 3.279 40 0 IGABHN Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133391 568767992 /nfs/dbraw/zinc/76/79/92/568767992.db2.gz MKBKOLOQFVZTGD-XNMGPUDCSA-N 0 3 442.563 3.491 40 0 IGABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136250 568769501 /nfs/dbraw/zinc/76/95/01/568769501.db2.gz POCBJZOMCURPJB-VPUSJEBWSA-N 0 3 443.547 3.487 40 0 IGABHN CN(C)[C@@H]1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136817 568769631 /nfs/dbraw/zinc/76/96/31/568769631.db2.gz QEBZGFIJQHCRLD-TZIWHRDSSA-N 0 3 431.540 3.088 40 0 IGABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4cccc(F)c4)CC3)O2)cc1 ZINC000306138879 568770965 /nfs/dbraw/zinc/77/09/65/568770965.db2.gz SJYFJPKRHWFMJC-QHCPKHFHSA-N 0 3 425.548 3.116 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccn2)n1 ZINC000328992522 568808633 /nfs/dbraw/zinc/80/86/33/568808633.db2.gz IWFVVXHAZFWYGE-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000329032867 568809967 /nfs/dbraw/zinc/80/99/67/568809967.db2.gz QQNJAAUGVYJFPD-UHFFFAOYSA-N 0 3 426.362 3.336 40 0 IGABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086071 569226198 /nfs/dbraw/zinc/22/61/98/569226198.db2.gz QSCZLDJPSQOILF-BVAGGSTKSA-N 0 3 438.568 3.257 40 0 IGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019498017 569226856 /nfs/dbraw/zinc/22/68/56/569226856.db2.gz HAKFMMFVEYQFHK-NPFVIJTESA-N 0 3 425.525 3.403 40 0 IGABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000019560947 569227057 /nfs/dbraw/zinc/22/70/57/569227057.db2.gz GOBCVBYSUUZRQR-NGYIFUPDSA-N 0 3 439.556 3.347 40 0 IGABHN Cc1nc([C@@H]2CCN(Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738805 569236043 /nfs/dbraw/zinc/23/60/43/569236043.db2.gz ZEPWGIOEJYITQX-GOSISDBHSA-N 0 3 430.556 3.298 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252517065 569288292 /nfs/dbraw/zinc/28/82/92/569288292.db2.gz ZFRBBAVBSOTKFN-KNKQGSTJSA-N 0 3 434.533 3.296 40 0 IGABHN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C ZINC000012602738 291355169 /nfs/dbraw/zinc/35/51/69/291355169.db2.gz KSCFRFIHGADNTE-UHOSZYNNSA-N 0 3 442.560 3.418 40 0 biogenic,in-vitro IGABHN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCCCCC3)c2)CC1 ZINC000408701951 556105372 /nfs/dbraw/zinc/10/53/72/556105372.db2.gz IAUFWXADMQEVSG-UHFFFAOYSA-N 0 3 442.025 3.366 40 0 IGABHN Cc1cccc(CN2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)c1 ZINC000039772040 556437427 /nfs/dbraw/zinc/43/74/27/556437427.db2.gz RBNVKDPOGSXESX-UHFFFAOYSA-N 0 3 441.597 3.047 40 0 IGABHN COC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc(C(=O)OC)c1 ZINC000039742889 556438162 /nfs/dbraw/zinc/43/81/62/556438162.db2.gz QPHIALLLWHIHQG-UHFFFAOYSA-N 0 3 428.460 3.250 40 0 IGABHN COc1cc(CN[C@H](C)c2ccccc2)cc(I)c1OCC(N)=O ZINC000036612913 556511461 /nfs/dbraw/zinc/51/14/61/556511461.db2.gz ZCGOLUYZZZLHOF-GFCCVEGCSA-N 0 3 440.281 3.015 40 0 IGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000038831433 556622236 /nfs/dbraw/zinc/62/22/36/556622236.db2.gz GNNGZYKBOKHACZ-UHFFFAOYSA-N 0 3 425.548 3.186 40 0 IGABHN COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285503 556727465 /nfs/dbraw/zinc/72/74/65/556727465.db2.gz XNZKBMGSJQETPZ-LEWJYISDSA-N 0 3 435.524 3.487 40 0 IGABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285503 556727468 /nfs/dbraw/zinc/72/74/68/556727468.db2.gz XNZKBMGSJQETPZ-LEWJYISDSA-N 0 3 435.524 3.487 40 0 IGABHN O=C(NCc1ccccn1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372476 556749137 /nfs/dbraw/zinc/74/91/37/556749137.db2.gz KYPXDSMBEWETSX-GOTSBHOMSA-N 0 3 442.567 3.004 40 0 IGABHN CC[C@@H](C)N1CCN(Cc2c3cc(C)cn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 ZINC000019499918 556771757 /nfs/dbraw/zinc/77/17/57/556771757.db2.gz MKZGKYLMPFMTCQ-MRXNPFEDSA-N 0 3 439.526 3.319 40 0 IGABHN COc1ccccc1OCC(=O)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019571363 556811683 /nfs/dbraw/zinc/81/16/83/556811683.db2.gz XJGTYPLHZATFLP-OAQYLSRUSA-N 0 3 439.556 3.050 40 0 IGABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 ZINC000019572459 556812879 /nfs/dbraw/zinc/81/28/79/556812879.db2.gz IIPOHVYZKLLBPF-XMMPIXPASA-N 0 3 428.598 3.387 40 0 IGABHN CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccccc3CN3CCCC3)cn2)C1 ZINC000019706070 556863955 /nfs/dbraw/zinc/86/39/55/556863955.db2.gz MAWSTQPQKJFAJS-HXUWFJFHSA-N 0 3 442.585 3.069 40 0 IGABHN Cc1nc([C@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)NCc1ccccc1 ZINC000019765853 556910758 /nfs/dbraw/zinc/91/07/58/556910758.db2.gz ROUPBHIVTWLVNN-JOCHJYFZSA-N 0 3 435.572 3.110 40 0 IGABHN Cc1nc([C@@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)NCc1ccccc1 ZINC000019765855 556910830 /nfs/dbraw/zinc/91/08/30/556910830.db2.gz ROUPBHIVTWLVNN-QFIPXVFZSA-N 0 3 435.572 3.110 40 0 IGABHN COc1ccc(S(=O)(=O)N2CCN(C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355127 556930211 /nfs/dbraw/zinc/93/02/11/556930211.db2.gz GEENOBRZYYCQIB-IBGZPJMESA-N 0 3 429.586 3.198 40 0 IGABHN COc1ccc(OC)c(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000072395700 556968034 /nfs/dbraw/zinc/96/80/34/556968034.db2.gz CSYQVDYQGFCNLF-FUHWJXTLSA-N 0 3 425.455 3.495 40 0 IGABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1C)CC2 ZINC000096143631 557170424 /nfs/dbraw/zinc/17/04/24/557170424.db2.gz UESULOFLQTZAGT-FCHUYYIVSA-N 0 3 447.583 3.367 40 0 IGABHN COc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)Nc2ccccc2)Cn2ccnc23)c1 ZINC000096144613 557173113 /nfs/dbraw/zinc/17/31/13/557173113.db2.gz XBWQYYMTLUUYCE-JOCHJYFZSA-N 0 3 432.524 3.421 40 0 IGABHN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(OCCN(C)C)cc3)CC[C@H]21 ZINC000585261606 557195112 /nfs/dbraw/zinc/19/51/12/557195112.db2.gz JZDNOOYPTLDOCP-UBFVSLLYSA-N 0 3 435.568 3.104 40 0 IGABHN O[C@H]1CCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585286900 557225621 /nfs/dbraw/zinc/22/56/21/557225621.db2.gz KCBCLFPABAZCPB-IODBPXAYSA-N 0 3 447.522 3.230 40 0 IGABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000057774103 557263771 /nfs/dbraw/zinc/26/37/71/557263771.db2.gz HHGROGBGSYVBIY-DVECYGJZSA-N 0 3 427.545 3.205 40 0 IGABHN N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1 ZINC000100708853 557270733 /nfs/dbraw/zinc/27/07/33/557270733.db2.gz HAIBOOZQCUSMIY-NSHGMRRFSA-N 0 3 449.534 3.109 40 0 IGABHN CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000022929651 557273913 /nfs/dbraw/zinc/27/39/13/557273913.db2.gz PHBSSYUHKRDKTO-OAQYLSRUSA-N 0 3 440.592 3.488 40 0 IGABHN CN1CCC(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000219981403 557274997 /nfs/dbraw/zinc/27/49/97/557274997.db2.gz DTWNABRWXCPMFP-UHFFFAOYSA-N 0 3 443.569 3.196 40 0 IGABHN COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019569128 557500956 /nfs/dbraw/zinc/50/09/56/557500956.db2.gz VIXLKURPAFTTTK-DEOSSOPVSA-N 0 3 432.572 3.380 40 0 IGABHN CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC[C@H]21 ZINC000257226023 568676993 /nfs/dbraw/zinc/67/69/93/568676993.db2.gz FIUMOWBMKDZOBO-PQNGQFLHSA-N 0 3 449.530 3.285 40 0 IGABHN Cc1nc2cc(C(=O)N3CCC[C@H](CC(=O)N4CCN(C5CCCC5)CC4)C3)ccc2[nH]1 ZINC000257285169 568704550 /nfs/dbraw/zinc/70/45/50/568704550.db2.gz PFYIXNOTWRXCHF-LJQANCHMSA-N 0 3 437.588 3.200 40 0 IGABHN Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257318464 568719507 /nfs/dbraw/zinc/71/95/07/568719507.db2.gz VOBBKEFOZIKUSX-NRFANRHFSA-N 0 3 443.935 3.180 40 0 IGABHN NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000257330805 568724733 /nfs/dbraw/zinc/72/47/33/568724733.db2.gz XQDLHFAEJSPBMN-NRFANRHFSA-N 0 3 446.555 3.182 40 0 IGABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000257342498 568729648 /nfs/dbraw/zinc/72/96/48/568729648.db2.gz ZOYQXAQQKFOMRU-KRWDZBQOSA-N 0 3 434.537 3.029 40 0 IGABHN Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126488 568764179 /nfs/dbraw/zinc/76/41/79/568764179.db2.gz DXLMVBOELGXHOX-URXFXBBRSA-N 0 3 434.565 3.244 40 0 IGABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127992 568764938 /nfs/dbraw/zinc/76/49/38/568764938.db2.gz GNJSCTVBBOXUFC-ILBGXUMGSA-N 0 3 432.499 3.013 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4Cl)C[C@@H]2C3)cc1 ZINC000306132480 568767313 /nfs/dbraw/zinc/76/73/13/568767313.db2.gz LKOVDSZOURIXNM-IRXDYDNUSA-N 0 3 437.931 3.497 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136478 568769489 /nfs/dbraw/zinc/76/94/89/568769489.db2.gz PUMPFGZQHNVIHH-WIOPSUGQSA-N 0 3 430.556 3.272 40 0 IGABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000253616936 569209233 /nfs/dbraw/zinc/20/92/33/569209233.db2.gz UPMMZHMPCFECTR-REWPJTCUSA-N 0 3 447.587 3.474 40 0 IGABHN COc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1 ZINC000019582138 569227284 /nfs/dbraw/zinc/22/72/84/569227284.db2.gz XERQPDOGPPSIMQ-PKTZIBPZSA-N 0 3 437.584 3.054 40 0 IGABHN CCC(CC)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699871 569230883 /nfs/dbraw/zinc/23/08/83/569230883.db2.gz MNVGTQYBHMCIHI-NRFANRHFSA-N 0 3 440.588 3.000 40 0 IGABHN N[C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000072380009 569250172 /nfs/dbraw/zinc/25/01/72/569250172.db2.gz HAIBOOZQCUSMIY-AFMYVXGZSA-N 0 3 449.534 3.109 40 0 IGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000009076182 569293557 /nfs/dbraw/zinc/29/35/57/569293557.db2.gz HGEYGPHKXWJQND-VSKRKVRLSA-N 0 3 444.443 3.230 40 0 IGABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943054 556516659 /nfs/dbraw/zinc/51/66/59/556516659.db2.gz IBLJTPUETWTJDG-MRXNPFEDSA-N 0 3 430.476 3.480 40 0 IGABHN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCN2CCCCCC2)cc1 ZINC000013681150 556556794 /nfs/dbraw/zinc/55/67/94/556556794.db2.gz CHECTGYPCRRAMJ-UHFFFAOYSA-N 0 3 447.576 3.398 40 0 IGABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289272 556625436 /nfs/dbraw/zinc/62/54/36/556625436.db2.gz KRJPWYODPKGWDH-DHIUTWEWSA-N 0 3 445.529 3.253 40 0 biogenic,in-vitro IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022160 556693987 /nfs/dbraw/zinc/69/39/87/556693987.db2.gz JQYYYIWQBBDJMZ-NHCUHLMSSA-N 0 3 426.513 3.038 40 0 IGABHN CN1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257285894 556715702 /nfs/dbraw/zinc/71/57/02/556715702.db2.gz PJISSXWQJMJLOH-HXUWFJFHSA-N 0 3 426.524 3.062 40 0 IGABHN OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000019343433 556741034 /nfs/dbraw/zinc/74/10/34/556741034.db2.gz IWTHTCQNIOMIFD-SFHVURJKSA-N 0 3 438.601 3.374 40 0 IGABHN COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N[C@H](C)CN(C)C)c3C2)cc1 ZINC000019455931 556765604 /nfs/dbraw/zinc/76/56/04/556765604.db2.gz GMXNQEQRJJONSH-GOSISDBHSA-N 0 3 432.572 3.468 40 0 IGABHN C[C@@H]1Cc2cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497857 556770281 /nfs/dbraw/zinc/77/02/81/556770281.db2.gz KZGJRDISBGFNIZ-HOYKHHGWSA-N 0 3 428.598 3.385 40 0 IGABHN CC[C@H](C)N1CCN(Cc2c3cc(C)cn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 ZINC000019499919 556771776 /nfs/dbraw/zinc/77/17/76/556771776.db2.gz MKZGKYLMPFMTCQ-INIZCTEOSA-N 0 3 439.526 3.319 40 0 IGABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)N[C@@H](C)CC)cc2c1 ZINC000004162128 556820551 /nfs/dbraw/zinc/82/05/51/556820551.db2.gz IKHQACNOFSSIQQ-KRWDZBQOSA-N 0 3 430.618 3.498 40 0 IGABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN(CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743491 556888283 /nfs/dbraw/zinc/88/82/83/556888283.db2.gz ITAGBMFDACTEMC-INIZCTEOSA-N 0 3 446.473 3.073 40 0 IGABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCC2 ZINC000072392638 556964025 /nfs/dbraw/zinc/96/40/25/556964025.db2.gz UUKORAICQVTPAF-NXQMDHLFSA-N 0 3 439.556 3.111 40 0 IGABHN Cc1nc(C)c(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)s1 ZINC000072394960 556966205 /nfs/dbraw/zinc/96/62/05/556966205.db2.gz SPENMEPGCDCQOD-RTWAWAEBSA-N 0 3 442.629 3.118 40 0 IGABHN COc1ccc(OCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395711 556968027 /nfs/dbraw/zinc/96/80/27/556968027.db2.gz XQDHVGLCNPETGM-ZWKOTPCHSA-N 0 3 425.455 3.365 40 0 IGABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000072398721 556970668 /nfs/dbraw/zinc/97/06/68/556970668.db2.gz ALSBKKQFVFBFLU-REWPJTCUSA-N 0 3 434.584 3.438 40 0 IGABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000072398721 556970670 /nfs/dbraw/zinc/97/06/70/556970670.db2.gz ALSBKKQFVFBFLU-REWPJTCUSA-N 0 3 434.584 3.438 40 0 IGABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398786 556970848 /nfs/dbraw/zinc/97/08/48/556970848.db2.gz LSKBLZOGCTWWSS-BTYIYWSLSA-N 0 3 440.592 3.385 40 0 IGABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398786 556970852 /nfs/dbraw/zinc/97/08/52/556970852.db2.gz LSKBLZOGCTWWSS-BTYIYWSLSA-N 0 3 440.592 3.385 40 0 IGABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183611 557139187 /nfs/dbraw/zinc/13/91/87/557139187.db2.gz NAUVAUNCZYMVDI-FQEVSTJZSA-N 0 3 437.584 3.339 40 0 IGABHN COc1cccc(CN2CCC3(CC2)O[C@H](C(=O)Nc2ccccc2)Cn2ccnc23)c1 ZINC000096144614 557173062 /nfs/dbraw/zinc/17/30/62/557173062.db2.gz XBWQYYMTLUUYCE-QFIPXVFZSA-N 0 3 432.524 3.421 40 0 IGABHN CCc1ccccc1NC(=O)CN1C[C@]2(NC(C)=O)CN(C)CC[C@@H]2[C@H]1c1ccccc1 ZINC000585262114 557200963 /nfs/dbraw/zinc/20/09/63/557200963.db2.gz NBALEMXJIATKLY-DNRSQYFGSA-N 0 3 434.584 3.071 40 0 IGABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283126 557222472 /nfs/dbraw/zinc/22/24/72/557222472.db2.gz PXCUVOMHFNTQRQ-RUZDIDTESA-N 0 3 432.605 3.173 40 0 IGABHN Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(Cc3cccc(OCCN(C)C)c3)C2)c1 ZINC000585284303 557223872 /nfs/dbraw/zinc/22/38/72/557223872.db2.gz WRVCIQOYPYJBNK-AREMUKBSSA-N 0 3 442.600 3.195 40 0 IGABHN O[C@@]1(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287313 557224263 /nfs/dbraw/zinc/22/42/63/557224263.db2.gz MKOCUEIEBORZGA-AMDXRBSFSA-N 0 3 447.522 3.496 40 0 IGABHN CN(C)CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224347515 557595631 /nfs/dbraw/zinc/59/56/31/557595631.db2.gz YAQYOTYSEVDUSO-UHFFFAOYSA-N 0 3 430.357 3.110 40 0 IGABHN C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224824040 557655661 /nfs/dbraw/zinc/65/56/61/557655661.db2.gz SXEUOFJMBHNNHP-SFHVURJKSA-N 0 3 447.576 3.283 40 0 IGABHN C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224844526 557657944 /nfs/dbraw/zinc/65/79/44/557657944.db2.gz WYSLAGWSOKZBPE-GOSISDBHSA-N 0 3 447.576 3.283 40 0 IGABHN Cc1ccc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)cc1 ZINC000585285962 568619003 /nfs/dbraw/zinc/61/90/03/568619003.db2.gz FWTFRRXVLSQZLI-MNPUUQGPSA-N 0 3 425.569 3.260 40 0 IGABHN CN(C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000257272836 568698725 /nfs/dbraw/zinc/69/87/25/568698725.db2.gz NEBUOFPGRWKCRA-GMAHTHKFSA-N 0 3 432.948 3.325 40 0 IGABHN CCn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cc(C)ncn3)cc2oc1=O ZINC000257285602 568704777 /nfs/dbraw/zinc/70/47/77/568704777.db2.gz PHXUQQZWPTVQRW-DBXWQHBBSA-N 0 3 449.555 3.242 40 0 IGABHN COc1cccc(C[C@H]2CC[C@@H]3CN(CC(=O)NCCc4nc5ccccc5[nH]4)C[C@H]23)c1 ZINC000257337396 568727634 /nfs/dbraw/zinc/72/76/34/568727634.db2.gz YSPVFDDTFRGSPT-KCZVDYSFSA-N 0 3 432.568 3.431 40 0 IGABHN COc1ccc(CN2C[C@@]3(CCN(CC4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306128861 568765525 /nfs/dbraw/zinc/76/55/25/568765525.db2.gz HMXOLGVPYNQBQF-QHCPKHFHSA-N 0 3 428.554 3.133 40 0 IGABHN COc1ccc(CN2C[C@]3(CCN(CC4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306128860 568765542 /nfs/dbraw/zinc/76/55/42/568765542.db2.gz HMXOLGVPYNQBQF-HSZRJFAPSA-N 0 3 428.554 3.133 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143826 568773382 /nfs/dbraw/zinc/77/33/82/568773382.db2.gz YNQANIFDPKKRRV-RDGATRHJSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1cc(Br)cc(C)c1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329019937 568809525 /nfs/dbraw/zinc/80/95/25/568809525.db2.gz NZXYYGULKZRJHE-UHFFFAOYSA-N 0 3 432.288 3.436 40 0 IGABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590209 569227270 /nfs/dbraw/zinc/22/72/70/569227270.db2.gz ALSBKKQFVFBFLU-NFBKMPQASA-N 0 3 434.584 3.438 40 0 IGABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590209 569227271 /nfs/dbraw/zinc/22/72/71/569227271.db2.gz ALSBKKQFVFBFLU-NFBKMPQASA-N 0 3 434.584 3.438 40 0 IGABHN O=C(NC[C@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)c([O-])cc1OCC(F)(F)F ZINC000021986210 526590072 /nfs/dbraw/zinc/59/00/72/526590072.db2.gz QUXZMOOURSXVFW-SNVBAGLBSA-N 0 3 430.345 3.146 40 0 IGABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000138429567 556702218 /nfs/dbraw/zinc/70/22/18/556702218.db2.gz MRJZHFXLXKCAMK-VABKMULXSA-N 0 3 445.475 3.167 40 0 IGABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3nc(C)cc3C)cc2)c1 ZINC000257341634 556707036 /nfs/dbraw/zinc/70/70/36/556707036.db2.gz ZLFVDNMOTARTNW-QFIPXVFZSA-N 0 3 439.556 3.459 40 0 IGABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3nc(C)cc3C)cc2)c1 ZINC000257341633 556707182 /nfs/dbraw/zinc/70/71/82/556707182.db2.gz ZLFVDNMOTARTNW-JOCHJYFZSA-N 0 3 439.556 3.459 40 0 IGABHN O=C(CN1CC[C@](O)(CN2CCC(F)(F)CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000257287964 556715617 /nfs/dbraw/zinc/71/56/17/556715617.db2.gz PSFPRSMMMWWIBC-DEOSSOPVSA-N 0 3 443.538 3.060 40 0 IGABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cccc(F)c3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257295928 556716841 /nfs/dbraw/zinc/71/68/41/556716841.db2.gz RAMDCIIGRCADBX-GNKBHMEESA-N 0 3 439.575 3.044 40 0 IGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000013751079 556726137 /nfs/dbraw/zinc/72/61/37/556726137.db2.gz UVOPOOFLTDESHU-VABKMULXSA-N 0 3 446.459 3.461 40 0 IGABHN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448409 556758020 /nfs/dbraw/zinc/75/80/20/556758020.db2.gz ZNLLNEQJAKADKP-OAQYLSRUSA-N 0 3 435.528 3.416 40 0 IGABHN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448409 556758022 /nfs/dbraw/zinc/75/80/22/556758022.db2.gz ZNLLNEQJAKADKP-OAQYLSRUSA-N 0 3 435.528 3.416 40 0 IGABHN COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448393 556758063 /nfs/dbraw/zinc/75/80/63/556758063.db2.gz XKBPAEUHHMCFJJ-HXUWFJFHSA-N 0 3 435.528 3.416 40 0 IGABHN COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc21 ZINC000019448393 556758064 /nfs/dbraw/zinc/75/80/64/556758064.db2.gz XKBPAEUHHMCFJJ-HXUWFJFHSA-N 0 3 435.528 3.416 40 0 IGABHN CC(C)NC(=O)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450126 556760997 /nfs/dbraw/zinc/76/09/97/556760997.db2.gz NGEMZYXDHOORCY-PMACEKPBSA-N 0 3 425.552 3.346 40 0 IGABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4OC)CC3)ccc21 ZINC000019498878 556770682 /nfs/dbraw/zinc/77/06/82/556770682.db2.gz NZZUNHVJIFFLSJ-HSZRJFAPSA-N 0 3 438.568 3.401 40 0 IGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499327 556771082 /nfs/dbraw/zinc/77/10/82/556771082.db2.gz PCTXDFPXCDUXCF-YADHBBJMSA-N 0 3 440.540 3.428 40 0 IGABHN COc1ccc(OC)c(CN2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019551495 556795727 /nfs/dbraw/zinc/79/57/27/556795727.db2.gz CZKFAEYRVOYFPS-AREMUKBSSA-N 0 3 446.551 3.471 40 0 IGABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)c1c(C)n(CCOC)c3ccccc31)C2 ZINC000019707493 556867431 /nfs/dbraw/zinc/86/74/31/556867431.db2.gz RMTMYCHLYNFFEE-LJQANCHMSA-N 0 3 448.571 3.051 40 0 IGABHN CCN(CC)CC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019739578 556878375 /nfs/dbraw/zinc/87/83/75/556878375.db2.gz JGOUNMXQEQUJRE-JOCHJYFZSA-N 0 3 449.599 3.312 40 0 IGABHN COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCCN(C4CCOCC4)C2)nc3C)cc1 ZINC000019743911 556889116 /nfs/dbraw/zinc/88/91/16/556889116.db2.gz LVFGVDKEQLXHCJ-IBGZPJMESA-N 0 3 436.556 3.241 40 0 IGABHN COCCOc1cccc(CN2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762981 556907767 /nfs/dbraw/zinc/90/77/67/556907767.db2.gz ZLBPDHWJZWRMLD-OAQYLSRUSA-N 0 3 438.572 3.426 40 0 IGABHN O=c1c2c(nc(N3CCCC3)n1CCO)CCN(Cc1ccc(-c3ccccc3)cc1)C2 ZINC000072347611 556918650 /nfs/dbraw/zinc/91/86/50/556918650.db2.gz DBPSSAQETZPNKN-UHFFFAOYSA-N 0 3 430.552 3.061 40 0 IGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c(OCC)n1 ZINC000072392658 556964000 /nfs/dbraw/zinc/96/40/00/556964000.db2.gz UXXHUGSEEWVPSE-TUVUNVSASA-N 0 3 429.565 3.024 40 0 IGABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398787 556970810 /nfs/dbraw/zinc/97/08/10/556970810.db2.gz XGUFEUCPETYMAY-QVKFZJNVSA-N 0 3 440.592 3.070 40 0 IGABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000072398787 556970813 /nfs/dbraw/zinc/97/08/13/556970813.db2.gz XGUFEUCPETYMAY-QVKFZJNVSA-N 0 3 440.592 3.070 40 0 IGABHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101506751 557124390 /nfs/dbraw/zinc/12/43/90/557124390.db2.gz XRIBIFLLYHAMCH-ZIFCJYIRSA-N 0 3 442.025 3.025 40 0 IGABHN COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(CCOc2ccccc2)C3)cc1 ZINC000096216408 557184021 /nfs/dbraw/zinc/18/40/21/557184021.db2.gz JQFOPZJNRARERL-QHCPKHFHSA-N 0 3 430.570 3.251 40 0 IGABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O ZINC000096262813 557190472 /nfs/dbraw/zinc/19/04/72/557190472.db2.gz WSORJLRYIPNOAX-HHHXNRCGSA-N 0 3 446.595 3.367 40 0 IGABHN Clc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140790 557515962 /nfs/dbraw/zinc/51/59/62/557515962.db2.gz BMFJJYUOOXTTKS-RTWAWAEBSA-N 0 3 430.984 3.155 40 0 IGABHN CC1(C)N=C2N(C#N)CN(Cc3ccccc3)CN2[C@@H]2CCN(Cc3ccccc3)C=C21 ZINC000054473540 557543339 /nfs/dbraw/zinc/54/33/39/557543339.db2.gz UARUSFIANQDDPZ-XMMPIXPASA-N 0 3 426.568 3.281 40 0 IGABHN Cc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1C ZINC000224815831 557655038 /nfs/dbraw/zinc/65/50/38/557655038.db2.gz IGWBIDZPCISWPS-UHFFFAOYSA-N 0 3 443.613 3.372 40 0 IGABHN C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204542 568667203 /nfs/dbraw/zinc/66/72/03/568667203.db2.gz AVCIWDSVSBPMTM-JOCHJYFZSA-N 0 3 435.565 3.182 40 0 IGABHN C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204543 568667324 /nfs/dbraw/zinc/66/73/24/568667324.db2.gz AVCIWDSVSBPMTM-QFIPXVFZSA-N 0 3 435.565 3.182 40 0 IGABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000257224716 568676386 /nfs/dbraw/zinc/67/63/86/568676386.db2.gz FCZZTAJAONPHDB-SFHVURJKSA-N 0 3 436.581 3.146 40 0 IGABHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257316428 568718326 /nfs/dbraw/zinc/71/83/26/568718326.db2.gz VFNUEVXJBJRFKC-QHCPKHFHSA-N 0 3 447.539 3.374 40 0 IGABHN NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000257330806 568724705 /nfs/dbraw/zinc/72/47/05/568724705.db2.gz XQDLHFAEJSPBMN-OAQYLSRUSA-N 0 3 446.555 3.182 40 0 IGABHN CN1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257337603 568727678 /nfs/dbraw/zinc/72/76/78/568727678.db2.gz YTNCEJHEHZTAAN-IBGZPJMESA-N 0 3 438.535 3.333 40 0 IGABHN Cc1ccc(CN2CCC3(CC2)CN(C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306129065 568765443 /nfs/dbraw/zinc/76/54/43/568765443.db2.gz HTKUCVKUGHCZNX-JOCHJYFZSA-N 0 3 427.614 3.380 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129609 568765915 /nfs/dbraw/zinc/76/59/15/568765915.db2.gz IHZVWBORQPNPJG-WIOPSUGQSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133389 568767955 /nfs/dbraw/zinc/76/79/55/568767955.db2.gz MKBKOLOQFVZTGD-BDYUSTAISA-N 0 3 442.563 3.491 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccncc2)n1 ZINC000329004282 568809122 /nfs/dbraw/zinc/80/91/22/568809122.db2.gz KQVCESORTGSRIR-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN Cc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000248332784 569207670 /nfs/dbraw/zinc/20/76/70/569207670.db2.gz JHHADXBOPIGYET-SNYIIPAISA-N 0 3 437.540 3.367 40 0 IGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019498016 569226819 /nfs/dbraw/zinc/22/68/19/569226819.db2.gz HAKFMMFVEYQFHK-USCONSEESA-N 0 3 425.525 3.403 40 0 IGABHN COc1c(C)cccc1CN1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702603 569232307 /nfs/dbraw/zinc/23/23/07/569232307.db2.gz ZXAMUFYNTLWGHA-INIZCTEOSA-N 0 3 425.554 3.325 40 0 IGABHN O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)N2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713942 569235821 /nfs/dbraw/zinc/23/58/21/569235821.db2.gz BIEKJMUQWIGZDG-XPWALMASSA-N 0 3 437.563 3.460 40 0 IGABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218623945 569458839 /nfs/dbraw/zinc/45/88/39/569458839.db2.gz NHXYXGLVSUDYEB-ZIFCJYIRSA-N 0 3 428.337 3.441 40 0 IGABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218647501 569459003 /nfs/dbraw/zinc/45/90/03/569459003.db2.gz QSZSISYOCBVXGG-QTEQDKRBSA-N 0 3 430.570 3.411 40 0 IGABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242620229 569462091 /nfs/dbraw/zinc/46/20/91/569462091.db2.gz PZNWUMMNDSWCMW-TXTKFYIRSA-N 0 3 430.570 3.465 40 0 IGABHN COCCCNC(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171989 291356731 /nfs/dbraw/zinc/35/67/31/291356731.db2.gz ZTKYATLVUNKHHA-SFTDATJTSA-N 0 3 437.588 3.177 40 0 biogenic,in-vitro IGABHN CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccc(CO)o3)C2)cc1 ZINC000020503338 519708315 /nfs/dbraw/zinc/70/83/15/519708315.db2.gz ZDEOFOIOLSXTMZ-PKOBYXMFSA-N 0 3 433.508 3.178 40 0 biogenic,in-vitro IGABHN CO[C@H]1CCc2nc(C)c(CCN3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2C1 ZINC000022059377 524005032 /nfs/dbraw/zinc/00/50/32/524005032.db2.gz DJOZJQFKYPYSCC-SFHVURJKSA-N 0 3 440.519 3.215 40 0 in-vitro IGABHN Cc1cc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc(C)c1O ZINC000012186617 524676426 /nfs/dbraw/zinc/67/64/26/524676426.db2.gz DEKVWTFGMDAFMK-UHFFFAOYSA-N 0 3 425.554 3.321 40 0 IGABHN Cc1ccc(CN2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1 ZINC000039744687 556438114 /nfs/dbraw/zinc/43/81/14/556438114.db2.gz IIMGPLWTNJZZNV-UHFFFAOYSA-N 0 3 441.597 3.047 40 0 IGABHN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)ccc21 ZINC000015360796 556523315 /nfs/dbraw/zinc/52/33/15/556523315.db2.gz YOCXGBWIABSOSE-UHFFFAOYSA-N 0 3 441.597 3.450 40 0 IGABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013669760 556550780 /nfs/dbraw/zinc/55/07/80/556550780.db2.gz XAWARFLZIJJYTL-UHFFFAOYSA-N 0 3 444.384 3.175 40 0 IGABHN Cc1ccc(Cl)cc1N(CCCC(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000013677201 556555173 /nfs/dbraw/zinc/55/51/73/556555173.db2.gz JTKVALIWOOYZDK-UHFFFAOYSA-N 0 3 430.014 3.187 40 0 IGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000038831413 556622145 /nfs/dbraw/zinc/62/21/45/556622145.db2.gz BIKLABJPQHGVNX-UHFFFAOYSA-N 0 3 425.548 3.186 40 0 IGABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125191 556703246 /nfs/dbraw/zinc/70/32/46/556703246.db2.gz ZESWEVRIIIUSCH-RTWAWAEBSA-N 0 3 425.525 3.459 40 0 IGABHN CC(=O)N[C@]12CN(CCOc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000257340735 556707229 /nfs/dbraw/zinc/70/72/29/556707229.db2.gz ZHIKJMXDNUTCIP-UBFVSLLYSA-N 0 3 439.531 3.005 40 0 IGABHN Cc1cccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236231 556720783 /nfs/dbraw/zinc/72/07/83/556720783.db2.gz MLSMDERCUONELO-QGZVFWFLSA-N 0 3 449.580 3.113 40 0 IGABHN Cc1cccnc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237796 556722794 /nfs/dbraw/zinc/72/27/94/556722794.db2.gz PXQMFZACBFQDAA-KRWDZBQOSA-N 0 3 449.580 3.113 40 0 IGABHN Cc1cccnc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237796 556722798 /nfs/dbraw/zinc/72/27/98/556722798.db2.gz PXQMFZACBFQDAA-KRWDZBQOSA-N 0 3 449.580 3.113 40 0 IGABHN COc1cc(CN2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239096 556724453 /nfs/dbraw/zinc/72/44/53/556724453.db2.gz UJXJDPBKEFPMGN-MRXNPFEDSA-N 0 3 425.489 3.240 40 0 IGABHN Cc1nccn1C[C@H](C)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019287759 556728480 /nfs/dbraw/zinc/72/84/80/556728480.db2.gz KBQXFPOWDQLCEO-KRWDZBQOSA-N 0 3 438.551 3.148 40 0 IGABHN CC(C)NC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449988 556760670 /nfs/dbraw/zinc/76/06/70/556760670.db2.gz MOVIYLQWTRPCFZ-WOJBJXKFSA-N 0 3 427.980 3.470 40 0 IGABHN CCc1c(C)nc([C@H]2CCC[N@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[n-]c1=O ZINC000019521553 556778325 /nfs/dbraw/zinc/77/83/25/556778325.db2.gz LUVSXYQDGXNUMJ-FQEVSTJZSA-N 0 3 438.572 3.022 40 0 IGABHN CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[n-]c1=O ZINC000019521553 556778327 /nfs/dbraw/zinc/77/83/27/556778327.db2.gz LUVSXYQDGXNUMJ-FQEVSTJZSA-N 0 3 438.572 3.022 40 0 IGABHN CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CC[N@@H+](C(C)C)C3)CCCC2 ZINC000019524090 556781258 /nfs/dbraw/zinc/78/12/58/556781258.db2.gz KMPIYINPSJWKPV-HXUWFJFHSA-N 0 3 438.576 3.021 40 0 IGABHN CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CC[N@H+](C(C)C)C3)CCCC2 ZINC000019524090 556781261 /nfs/dbraw/zinc/78/12/61/556781261.db2.gz KMPIYINPSJWKPV-HXUWFJFHSA-N 0 3 438.576 3.021 40 0 IGABHN COc1cc2c(cc1CN1CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC1)CCCC2 ZINC000019550553 556795338 /nfs/dbraw/zinc/79/53/38/556795338.db2.gz CMCNPMSVQVMMED-UHFFFAOYSA-N 0 3 438.572 3.149 40 0 IGABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556783 556799321 /nfs/dbraw/zinc/79/93/21/556799321.db2.gz XGUFEUCPETYMAY-YCRPNKLZSA-N 0 3 440.592 3.070 40 0 IGABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556783 556799323 /nfs/dbraw/zinc/79/93/23/556799323.db2.gz XGUFEUCPETYMAY-YCRPNKLZSA-N 0 3 440.592 3.070 40 0 IGABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019710449 556873179 /nfs/dbraw/zinc/87/31/79/556873179.db2.gz MDMFMXKMFFLQRR-UHFFFAOYSA-N 0 3 436.604 3.129 40 0 IGABHN O=C(Nc1ccccc1CN1CCCC1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019748087 556892742 /nfs/dbraw/zinc/89/27/42/556892742.db2.gz SYYMBMHKIUVGPT-GOSISDBHSA-N 0 3 431.533 3.071 40 0 IGABHN CCOc1ccc(CN2CCC3(C[C@]4(CO3)Nc3ccccc3C(=O)N4)CC2)cc1OC ZINC000072325416 556902626 /nfs/dbraw/zinc/90/26/26/556902626.db2.gz XNAYBCVQRRXCQL-VWLOTQADSA-N 0 3 437.540 3.401 40 0 IGABHN C[C@H](Cc1ccccc1F)N1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334503 556907183 /nfs/dbraw/zinc/90/71/83/556907183.db2.gz KDOCXHMOBZQGDQ-FQHLQPMKSA-N 0 3 437.559 3.328 40 0 IGABHN COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3cn(C)nc3C)CC2)nc1N ZINC000019765956 556911048 /nfs/dbraw/zinc/91/10/48/556911048.db2.gz LBFCQUHXQXCBLL-UHFFFAOYSA-N 0 3 434.544 3.346 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819191 556921993 /nfs/dbraw/zinc/92/19/93/556921993.db2.gz AMYGCYZNAOIFAY-QGZVFWFLSA-N 0 3 440.427 3.036 40 0 IGABHN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(Cc3cn(C)nc3C)CC2)cc1 ZINC000072352150 556923029 /nfs/dbraw/zinc/92/30/29/556923029.db2.gz NTOUOLXZTXIMBU-UHFFFAOYSA-N 0 3 436.560 3.178 40 0 IGABHN CCN(CC)CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352168 556923376 /nfs/dbraw/zinc/92/33/76/556923376.db2.gz QXDSBGGMMPHYLH-KRWDZBQOSA-N 0 3 429.586 3.031 40 0 IGABHN CCN(CC)CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352169 556923407 /nfs/dbraw/zinc/92/34/07/556923407.db2.gz QXDSBGGMMPHYLH-QGZVFWFLSA-N 0 3 429.586 3.031 40 0 IGABHN OC1CCN(c2cc(C3CCN(Cc4ccccc4F)CC3)nc(-c3cnccn3)n2)CC1 ZINC000072352941 556925432 /nfs/dbraw/zinc/92/54/32/556925432.db2.gz BVTYAIYNSNYKFG-UHFFFAOYSA-N 0 3 448.546 3.413 40 0 IGABHN CN(C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000072394954 556966169 /nfs/dbraw/zinc/96/61/69/556966169.db2.gz IUKRCBTYOYTCNN-GOTSBHOMSA-N 0 3 425.548 3.184 40 0 IGABHN O=C(NCCc1cccs1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1 ZINC000096156187 557180942 /nfs/dbraw/zinc/18/09/42/557180942.db2.gz BBFQEKKYAHDENR-SFHVURJKSA-N 0 3 432.553 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CWRFWMOQNZSLPE-UHFFFAOYSA-N 0 3 435.977 3.298 40 0 IGABHN Cc1ccc(CN(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 ZINC000224852350 557658994 /nfs/dbraw/zinc/65/89/94/557658994.db2.gz VQHYJGURCUQMMT-UHFFFAOYSA-N 0 3 443.613 3.059 40 0 IGABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCCC[C@H]3CC)cc2sc1=O ZINC000260802940 557857787 /nfs/dbraw/zinc/85/77/87/557857787.db2.gz SQACQSBUXCNRGB-MRXNPFEDSA-N 0 3 425.620 3.406 40 0 IGABHN O=C(N1CCNC[C@H](COCc2ccccc2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257266326 568695747 /nfs/dbraw/zinc/69/57/47/568695747.db2.gz MCNWXUJQTKPHBE-NRFANRHFSA-N 0 3 426.532 3.139 40 0 IGABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000257342499 568729675 /nfs/dbraw/zinc/72/96/75/568729675.db2.gz ZOYQXAQQKFOMRU-QGZVFWFLSA-N 0 3 434.537 3.029 40 0 IGABHN Cn1[n-]c2c(c1=O)CN(Cc1ccc3c(c1)OCO3)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306130417 568766243 /nfs/dbraw/zinc/76/62/43/568766243.db2.gz JFVOJYGTFCWJOV-UHFFFAOYSA-N 0 3 446.551 3.404 40 0 IGABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000306131291 568766771 /nfs/dbraw/zinc/76/67/71/568766771.db2.gz KAJKLXPCRUCPFF-QHCPKHFHSA-N 0 3 425.548 3.150 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132451 568767193 /nfs/dbraw/zinc/76/71/93/568767193.db2.gz LJDABMSMVDASKM-WIOPSUGQSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)c1 ZINC000306132667 568767367 /nfs/dbraw/zinc/76/73/67/568767367.db2.gz LOUOOSJMGKFYGZ-RUZDIDTESA-N 0 3 436.604 3.048 40 0 IGABHN Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@]2(CCN(Cc4ccccc4)C2)CC3)cc1 ZINC000306135599 568768959 /nfs/dbraw/zinc/76/89/59/568768959.db2.gz OVMAHKXUAHNZMP-AREMUKBSSA-N 0 3 428.536 3.029 40 0 IGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140183 568771572 /nfs/dbraw/zinc/77/15/72/568771572.db2.gz UMJWDPZYGZCGQF-ISKFKSNPSA-N 0 3 434.565 3.244 40 0 IGABHN CC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000248122109 569207202 /nfs/dbraw/zinc/20/72/02/569207202.db2.gz NMUPNGJJXVESJB-PMOQBDJRSA-N 0 3 437.584 3.111 40 0 IGABHN COCCOc1cccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019695055 569229483 /nfs/dbraw/zinc/22/94/83/569229483.db2.gz ITNNJEJRTQXVEW-IBGZPJMESA-N 0 3 434.544 3.014 40 0 IGABHN COc1ccc(CN2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cc1c(C)noc1C ZINC000019763436 569238100 /nfs/dbraw/zinc/23/81/00/569238100.db2.gz UXOQGPHXRYSVLE-IBGZPJMESA-N 0 3 449.555 3.468 40 0 IGABHN Cc1nc([C@H]2CCCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019763723 569238113 /nfs/dbraw/zinc/23/81/13/569238113.db2.gz ADQNXHHGHMBQDG-FQEVSTJZSA-N 0 3 448.571 3.296 40 0 IGABHN O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1ccccc1CN1CCCC1 ZINC000019750696 569328392 /nfs/dbraw/zinc/32/83/92/569328392.db2.gz AGHTVLBWDGTCRM-UHFFFAOYSA-N 0 3 448.498 3.474 40 0 IGABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C(C)(C)C)n(C)n2)cc1OC ZINC000008635499 291357722 /nfs/dbraw/zinc/35/77/22/291357722.db2.gz FFSCWMCXOMDFOS-UHOSZYNNSA-N 0 3 440.588 3.444 40 0 biogenic,in-vitro IGABHN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1 ZINC000096113483 291360095 /nfs/dbraw/zinc/36/00/95/291360095.db2.gz BEMARWLTVWZRPP-IEBWSBKVSA-N 0 3 432.952 3.060 40 0 biogenic,in-vitro IGABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000072345801 519673183 /nfs/dbraw/zinc/67/31/83/519673183.db2.gz SESBLPBDPWORMC-HSZRJFAPSA-N 0 3 441.597 3.255 40 0 IGABHN CO[C@@H]1CCc2nc(C)c(CCN3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2C1 ZINC000022059373 523726754 /nfs/dbraw/zinc/72/67/54/523726754.db2.gz DJOZJQFKYPYSCC-GOSISDBHSA-N 0 3 440.519 3.215 40 0 in-vitro IGABHN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1 ZINC000408700381 556102352 /nfs/dbraw/zinc/10/23/52/556102352.db2.gz FDIQOXDYUYVJNN-UHFFFAOYSA-N 0 3 447.626 3.449 40 0 IGABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2c[nH]nc2C(C)(C)C)C3)c(OCC)n1 ZINC000012087530 556400584 /nfs/dbraw/zinc/40/05/84/556400584.db2.gz NERHEQXZTUYQRB-QLCVBSLISA-N 0 3 443.592 3.414 40 0 IGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964015 556631119 /nfs/dbraw/zinc/63/11/19/556631119.db2.gz XDHMSHJOGLEKRW-NQIIRXRSSA-N 0 3 432.480 3.334 40 0 IGABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000257265134 556712948 /nfs/dbraw/zinc/71/29/48/556712948.db2.gz LXKWMQQHMIVOTK-VWLOTQADSA-N 0 3 435.572 3.047 40 0 IGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219215 556713713 /nfs/dbraw/zinc/71/37/13/556713713.db2.gz WYPAEGFSYRESBY-FGZHOGPDSA-N 0 3 440.540 3.346 40 0 IGABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000880685 556732522 /nfs/dbraw/zinc/73/25/22/556732522.db2.gz SOTCDXVSRCOEDD-UHFFFAOYSA-N 0 3 440.569 3.306 40 0 IGABHN CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450119 556761029 /nfs/dbraw/zinc/76/10/29/556761029.db2.gz RKBDOMHCEJVPHH-SFTDATJTSA-N 0 3 425.552 3.346 40 0 IGABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CCOCC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495961 556768788 /nfs/dbraw/zinc/76/87/88/556768788.db2.gz BSOLTARGPIHPIK-SKINQDTJSA-N 0 3 442.604 3.252 40 0 IGABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CCOCC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495961 556768792 /nfs/dbraw/zinc/76/87/92/556768792.db2.gz BSOLTARGPIHPIK-SKINQDTJSA-N 0 3 442.604 3.252 40 0 IGABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499328 556771150 /nfs/dbraw/zinc/77/11/50/556771150.db2.gz PCTXDFPXCDUXCF-FGZHOGPDSA-N 0 3 440.540 3.428 40 0 IGABHN COc1cccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1OC ZINC000019567718 556807828 /nfs/dbraw/zinc/80/78/28/556807828.db2.gz WNMNFGULAHLWAD-SANMLTNESA-N 0 3 446.551 3.471 40 0 IGABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019572471 556812825 /nfs/dbraw/zinc/81/28/25/556812825.db2.gz QKLDQMSLBBWYBB-XMMPIXPASA-N 0 3 444.597 3.113 40 0 IGABHN COc1c(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577936 556815573 /nfs/dbraw/zinc/81/55/73/556815573.db2.gz FHEOIFBQAOCFRZ-AREMUKBSSA-N 0 3 447.583 3.322 40 0 IGABHN CNc1nc([C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710483 556873505 /nfs/dbraw/zinc/87/35/05/556873505.db2.gz FEXKMFJAOZKFJX-GOSISDBHSA-N 0 3 432.572 3.294 40 0 IGABHN CCN(CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019741841 556885053 /nfs/dbraw/zinc/88/50/53/556885053.db2.gz NTOMZRYUVCEFQT-JOCHJYFZSA-N 0 3 449.599 3.312 40 0 IGABHN O=C(Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O)NC1CCCCC1 ZINC000019751206 556895329 /nfs/dbraw/zinc/89/53/29/556895329.db2.gz NXEUNYKWAYRHAE-UHFFFAOYSA-N 0 3 436.556 3.145 40 0 IGABHN Cc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000072330587 556906467 /nfs/dbraw/zinc/90/64/67/556906467.db2.gz JHHADXBOPIGYET-ZHRMCQFGSA-N 0 3 437.540 3.367 40 0 IGABHN Cc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000072330586 556906492 /nfs/dbraw/zinc/90/64/92/556906492.db2.gz JHHADXBOPIGYET-XZOYJPPVSA-N 0 3 437.540 3.367 40 0 IGABHN Cc1nc(C2CCN(C(=O)C3CCN(C)CC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765859 556910731 /nfs/dbraw/zinc/91/07/31/556910731.db2.gz LFFYEPLBXQZOLS-UHFFFAOYSA-N 0 3 439.535 3.224 40 0 IGABHN CCCOc1ccc([C@H]2NC(N3CCc4ccccc4C3)=NC(=O)[C@@H]2C(=O)OCC)cc1 ZINC000019817745 556920612 /nfs/dbraw/zinc/92/06/12/556920612.db2.gz SWQPSSZBTXBSRR-FGZHOGPDSA-N 0 3 435.524 3.240 40 0 IGABHN COc1ccc(NC(=O)CC2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 ZINC000019819473 556922850 /nfs/dbraw/zinc/92/28/50/556922850.db2.gz FSARQRYFRAJNDM-OAQYLSRUSA-N 0 3 444.495 3.248 40 0 IGABHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000020111553 556986011 /nfs/dbraw/zinc/98/60/11/556986011.db2.gz ULYFRMBALBXDLV-UHFFFAOYSA-N 0 3 431.558 3.465 40 0 IGABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108276 557177460 /nfs/dbraw/zinc/17/74/60/557177460.db2.gz MQWVUGCFBDRGDA-JOCHJYFZSA-N 0 3 445.523 3.382 40 0 IGABHN COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1cccs1 ZINC000022107527 557177586 /nfs/dbraw/zinc/17/75/86/557177586.db2.gz INXIQZMHQDGYPO-UHFFFAOYSA-N 0 3 425.967 3.395 40 0 IGABHN CNCC(=O)N1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262944 557203351 /nfs/dbraw/zinc/20/33/51/557203351.db2.gz FOIPTUPIXAGHIM-UHFFFAOYSA-N 0 3 437.569 3.021 40 0 IGABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000585286230 557225267 /nfs/dbraw/zinc/22/52/67/557225267.db2.gz XZYMRJWYHCTUNU-ICSRJNTNSA-N 0 3 442.865 3.087 40 0 IGABHN COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929153 557277508 /nfs/dbraw/zinc/27/75/08/557277508.db2.gz QBSMJBZQCJCNIT-DEOSSOPVSA-N 0 3 432.572 3.380 40 0 IGABHN COc1cccc(CCN2C[C@H]3CCN(Cc4cccc(OC)c4)CC[C@H]3S2(=O)=O)c1 ZINC000107183812 557335993 /nfs/dbraw/zinc/33/59/93/557335993.db2.gz PQNYXCMRYKKXNC-ZJSXRUAMSA-N 0 3 444.597 3.173 40 0 IGABHN O=C(CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000014001239 557417643 /nfs/dbraw/zinc/41/76/43/557417643.db2.gz WZGAKHWTOJMKQB-UHFFFAOYSA-N 0 3 447.514 3.188 40 0 IGABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccncc1 ZINC000223256767 557451526 /nfs/dbraw/zinc/45/15/26/557451526.db2.gz MPUCZENGZXJUND-PKTZIBPZSA-N 0 3 434.613 3.477 40 0 IGABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC3CCN(C)CC3)c2)cc1 ZINC000224344026 557595053 /nfs/dbraw/zinc/59/50/53/557595053.db2.gz AFIRSGNAGKBMLO-UHFFFAOYSA-N 0 3 435.977 3.298 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288113 568619379 /nfs/dbraw/zinc/61/93/79/568619379.db2.gz WLFNVRBVZIZUII-IMRHEYAYSA-N 0 3 427.532 3.374 40 0 IGABHN COc1cc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291412 568707238 /nfs/dbraw/zinc/70/72/38/568707238.db2.gz QGWBGPHPRIWCPE-LJQANCHMSA-N 0 3 426.561 3.167 40 0 IGABHN CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1 ZINC000257297792 568710339 /nfs/dbraw/zinc/71/03/39/568710339.db2.gz RIUTZXMJXYXIFW-UPVQGACJSA-N 0 3 441.616 3.417 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(Cl)c4)C[C@H]2C3)cc1 ZINC000306123529 568762857 /nfs/dbraw/zinc/76/28/57/568762857.db2.gz APMOHXDHJZWFFQ-IAGOWNOFSA-N 0 3 437.931 3.497 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136477 568769425 /nfs/dbraw/zinc/76/94/25/568769425.db2.gz PUMPFGZQHNVIHH-RDGATRHJSA-N 0 3 430.556 3.272 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136475 568769476 /nfs/dbraw/zinc/76/94/76/568769476.db2.gz PUMPFGZQHNVIHH-DHLKQENFSA-N 0 3 430.556 3.272 40 0 IGABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139780 568771360 /nfs/dbraw/zinc/77/13/60/568771360.db2.gz UAIIENFLMILDFB-RSXGOPAZSA-N 0 3 428.536 3.182 40 0 IGABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143792 568773364 /nfs/dbraw/zinc/77/33/64/568773364.db2.gz YMMXJJSZLNRZDI-DHLKQENFSA-N 0 3 447.587 3.094 40 0 IGABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000306143670 568773376 /nfs/dbraw/zinc/77/33/76/568773376.db2.gz YIMZZRNANAEWEB-HSZRJFAPSA-N 0 3 425.548 3.150 40 0 IGABHN O=C(CN1CCC[C@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370573 569226559 /nfs/dbraw/zinc/22/65/59/569226559.db2.gz DANDSPJTPYRIPI-DHIUTWEWSA-N 0 3 448.611 3.240 40 0 IGABHN Cc1cccc(N(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000013682456 556557401 /nfs/dbraw/zinc/55/74/01/556557401.db2.gz KKCLACXBMWGVLY-UHFFFAOYSA-N 0 3 429.586 3.177 40 0 IGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964012 556631042 /nfs/dbraw/zinc/63/10/42/556631042.db2.gz XDHMSHJOGLEKRW-GHTZIAJQSA-N 0 3 432.480 3.334 40 0 IGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000101029478 556644399 /nfs/dbraw/zinc/64/43/99/556644399.db2.gz UVOPOOFLTDESHU-ZLNRFVROSA-N 0 3 446.459 3.461 40 0 IGABHN COc1ccc(/C=C/C(=O)OCCNCCOC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000017285880 556674515 /nfs/dbraw/zinc/67/45/15/556674515.db2.gz IMCXEISUSBYHNH-MFUUIURDSA-N 0 3 425.481 3.106 40 0 IGABHN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014348 556691550 /nfs/dbraw/zinc/69/15/50/556691550.db2.gz UARGIEJCSISEQX-TVADFSRQSA-N 0 3 432.568 3.348 40 0 IGABHN C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014348 556691554 /nfs/dbraw/zinc/69/15/54/556691554.db2.gz UARGIEJCSISEQX-TVADFSRQSA-N 0 3 432.568 3.348 40 0 IGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@H]2O ZINC000019022403 556694174 /nfs/dbraw/zinc/69/41/74/556694174.db2.gz KMHGFBIUWBSCGT-YADHBBJMSA-N 0 3 426.513 3.038 40 0 IGABHN C=Cn1cc(CN2CCC(c3nc(N4CCOCC4)ncc3-c3cc(C)no3)CC2)c(C)n1 ZINC000019123276 556702202 /nfs/dbraw/zinc/70/22/02/556702202.db2.gz XBAMKYHIXYKMQA-UHFFFAOYSA-N 0 3 449.559 3.262 40 0 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568767885 /nfs/dbraw/zinc/76/78/85/568767885.db2.gz MQGFBBKHSUXZBX-UHFFFAOYSA-N 0 3 439.560 3.011 40 0 IGABHN Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133390 568767960 /nfs/dbraw/zinc/76/79/60/568767960.db2.gz MKBKOLOQFVZTGD-VPUSJEBWSA-N 0 3 442.563 3.491 40 0 IGABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3sccc3C)CC2)C1 ZINC000306136370 568769462 /nfs/dbraw/zinc/76/94/62/568769462.db2.gz PRMXASUOTHLWBQ-UHFFFAOYSA-N 0 3 438.557 3.283 40 0 IGABHN Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499222 569208691 /nfs/dbraw/zinc/20/86/91/569208691.db2.gz RDVJMIQJPVMQAV-UGKGYDQZSA-N 0 3 433.560 3.220 40 0 IGABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590210 569227325 /nfs/dbraw/zinc/22/73/25/569227325.db2.gz ALSBKKQFVFBFLU-NZQKXSOJSA-N 0 3 434.584 3.438 40 0 IGABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590210 569227326 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C[C@@H]1CCCCN1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019496335 556769117 /nfs/dbraw/zinc/76/91/17/556769117.db2.gz SXQYMWQNDVQMBK-LJQANCHMSA-N 0 3 449.599 3.189 40 0 IGABHN C[C@@H]1CCCCN1CC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019496335 556769118 /nfs/dbraw/zinc/76/91/18/556769118.db2.gz SXQYMWQNDVQMBK-LJQANCHMSA-N 0 3 449.599 3.189 40 0 IGABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000019572433 556812871 /nfs/dbraw/zinc/81/28/71/556812871.db2.gz YVDQOEFCNVEOHN-HSZRJFAPSA-N 0 3 430.545 3.361 40 0 IGABHN C[C@H]1CCCN(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1 ZINC000019705802 556863207 /nfs/dbraw/zinc/86/32/07/556863207.db2.gz XVGGMKNPYGWEON-INIZCTEOSA-N 0 3 427.574 3.228 40 0 IGABHN CN1CCC(Nc2n[nH]c3nc([C@H]4CCCN(C(=O)COc5ccccc5)C4)ccc23)CC1 ZINC000019742922 556887156 /nfs/dbraw/zinc/88/71/56/556887156.db2.gz YKVRQELGADTAIH-SFHVURJKSA-N 0 3 448.571 3.249 40 0 IGABHN CCn1nc(C)c(CN2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c1C ZINC000019761741 556905352 /nfs/dbraw/zinc/90/53/52/556905352.db2.gz CSRWQKQVBIDLRZ-LJQANCHMSA-N 0 3 435.572 3.122 40 0 IGABHN CN1CC[C@H](c2c3ccccc3sc2C(=O)NCCS(=O)(=O)NC2CCCCC2)C1 ZINC000072352564 556924512 /nfs/dbraw/zinc/92/45/12/556924512.db2.gz USMFRGBOBJAPOE-INIZCTEOSA-N 0 3 449.642 3.302 40 0 IGABHN CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3ccccn3)CC2)C1 ZINC000072380090 556957670 /nfs/dbraw/zinc/95/76/70/556957670.db2.gz PDFWVOHWDNOTJU-QFIPXVFZSA-N 0 3 434.584 3.118 40 0 IGABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)Nc2cccnc2C)Cn2ccnc23)cc1 ZINC000096243874 557188254 /nfs/dbraw/zinc/18/82/54/557188254.db2.gz XGMIAKXVTJIHJV-QFIPXVFZSA-N 0 3 431.540 3.424 40 0 IGABHN Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243876 557188298 /nfs/dbraw/zinc/18/82/98/557188298.db2.gz YYPVRVSOIBVIPM-OAQYLSRUSA-N 0 3 435.503 3.254 40 0 IGABHN COc1ccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccccc4)CC3)O2)cc1 ZINC000096263249 557190959 /nfs/dbraw/zinc/19/09/59/557190959.db2.gz 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CCn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2sc1=O ZINC000224805246 557653290 /nfs/dbraw/zinc/65/32/90/557653290.db2.gz KIPBDHBNJPOJRA-UHFFFAOYSA-N 0 3 431.583 3.157 40 0 IGABHN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 ZINC000040935309 563112653 /nfs/dbraw/zinc/11/26/53/563112653.db2.gz ROFMCPHQNWGXGE-GOSISDBHSA-N 0 3 436.512 3.216 40 0 IGABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 ZINC000585285675 568618972 /nfs/dbraw/zinc/61/89/72/568618972.db2.gz RVBPFLVZUFZTPX-ICSRJNTNSA-N 0 3 442.865 3.087 40 0 IGABHN CN(C)CCOc1cccc(C(=O)N2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCC[C@@H]32)c1 ZINC000257254740 568690752 /nfs/dbraw/zinc/69/07/52/568690752.db2.gz KEMCLAAXAUPZSI-VJBWXMMDSA-N 0 3 439.531 3.391 40 0 IGABHN COc1cc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291411 568707289 /nfs/dbraw/zinc/70/72/89/568707289.db2.gz QGWBGPHPRIWCPE-IBGZPJMESA-N 0 3 426.561 3.167 40 0 IGABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)c1 ZINC000257336414 568727227 /nfs/dbraw/zinc/72/72/27/568727227.db2.gz YOHPHJDORGZWAR-QGZVFWFLSA-N 0 3 441.557 3.444 40 0 IGABHN CN1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257337604 568727647 /nfs/dbraw/zinc/72/76/47/568727647.db2.gz YTNCEJHEHZTAAN-LJQANCHMSA-N 0 3 438.535 3.333 40 0 IGABHN Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)no1 ZINC000306123184 568762531 /nfs/dbraw/zinc/76/25/31/568762531.db2.gz AGQOFWILGLESRT-UHFFFAOYSA-N 0 3 447.539 3.466 40 0 IGABHN Cc1ncsc1CN1CC[C@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141006 568772031 /nfs/dbraw/zinc/77/20/31/568772031.db2.gz VIQMDTKLBFKSNL-RDPSFJRHSA-N 0 3 448.596 3.094 40 0 IGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)ccc4OC)C[C@H]32)c(OCC)n1 ZINC000247937826 569206558 /nfs/dbraw/zinc/20/65/58/569206558.db2.gz SXPYBZZQDYHDFU-WPSZSDGUSA-N 0 3 427.545 3.321 40 0 IGABHN CC(=O)N1C[C@H](C(=O)Nc2ccc(Cn3cccn3)cc2)[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019699200 569230406 /nfs/dbraw/zinc/23/04/06/569230406.db2.gz RRUOZVCOZPSASV-RPBOFIJWSA-N 0 3 445.567 3.194 40 0 IGABHN CCn1nc(C)c(CN2CC[C@@H](c3c4cccnc4sc3C(=O)NCCOC)C2)c1C ZINC000019702621 569232248 /nfs/dbraw/zinc/23/22/48/569232248.db2.gz FEIHPTKDYIEEPE-QGZVFWFLSA-N 0 3 441.601 3.495 40 0 IGABHN CN(C)c1cc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)nc([C@@H]2CCCN2)n1 ZINC000019760077 569237481 /nfs/dbraw/zinc/23/74/81/569237481.db2.gz QJMWZUPNGMRINI-SFHVURJKSA-N 0 3 436.585 3.287 40 0 IGABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218609734 569458747 /nfs/dbraw/zinc/45/87/47/569458747.db2.gz PZNWUMMNDSWCMW-MZKRTTBSSA-N 0 3 430.570 3.465 40 0 IGABHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cncn4C)o3)C[C@H]2C(C)C)CC1 ZINC000035442718 519585123 /nfs/dbraw/zinc/58/51/23/519585123.db2.gz ZLFHPHAUZGEXDJ-ACRUOGEOSA-N 0 3 440.592 3.031 40 0 biogenic,in-vitro IGABHN Cc1nc([C@@H]2CCCN(Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345579 527044532 /nfs/dbraw/zinc/04/45/32/527044532.db2.gz CPKRQHZKRVCWAT-OAQYLSRUSA-N 0 3 438.572 3.424 40 0 IGABHN CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)OC ZINC000008653629 556196941 /nfs/dbraw/zinc/19/69/41/556196941.db2.gz HIZPXEKYWKIHGU-QGZVFWFLSA-N 0 3 449.507 3.148 40 0 IGABHN O=C(c1ccc(F)cc1)N1CCC(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000014944103 556459379 /nfs/dbraw/zinc/45/93/79/556459379.db2.gz TZMVWYJITKRIBC-IBGZPJMESA-N 0 3 429.879 3.005 40 0 IGABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943057 556516527 /nfs/dbraw/zinc/51/65/27/556516527.db2.gz IBLJTPUETWTJDG-INIZCTEOSA-N 0 3 430.476 3.480 40 0 IGABHN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000038831439 556622064 /nfs/dbraw/zinc/62/20/64/556622064.db2.gz SFPWAYBGQWJCFE-UHFFFAOYSA-N 0 3 425.548 3.186 40 0 IGABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289277 556625482 /nfs/dbraw/zinc/62/54/82/556625482.db2.gz KRJPWYODPKGWDH-XZOQPEGZSA-N 0 3 445.529 3.253 40 0 biogenic,in-vitro IGABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290442 556626579 /nfs/dbraw/zinc/62/65/79/556626579.db2.gz ZWPLBWPOSFFEPT-FGZHOGPDSA-N 0 3 431.502 3.211 40 0 biogenic,in-vitro IGABHN COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2O)cc1 ZINC000257223490 556708147 /nfs/dbraw/zinc/70/81/47/556708147.db2.gz DXOGSCYFTGMRQI-CLJLJLNGSA-N 0 3 433.552 3.346 40 0 IGABHN CC(=O)N1CCc2cc([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219280 556713719 /nfs/dbraw/zinc/71/37/19/556713719.db2.gz HKWGJUCCEGLSEC-DNQXCXABSA-N 0 3 436.552 3.288 40 0 IGABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270884 556713851 /nfs/dbraw/zinc/71/38/51/556713851.db2.gz MWAGNCMBUHBTEX-QFIPXVFZSA-N 0 3 426.557 3.139 40 0 IGABHN COc1cc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc(OC)c1OC ZINC000019236377 556721210 /nfs/dbraw/zinc/72/12/10/556721210.db2.gz DALMHTHBOKLRTK-UQBPGWFLSA-N 0 3 439.556 3.444 40 0 IGABHN COc1cc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000000896102 556741071 /nfs/dbraw/zinc/74/10/71/556741071.db2.gz UDTXZOHWDIPKLS-UHFFFAOYSA-N 0 3 440.569 3.306 40 0 IGABHN Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)nc1 ZINC000019690542 556846540 /nfs/dbraw/zinc/84/65/40/556846540.db2.gz IVLZGHZTXHGHDK-XMMPIXPASA-N 0 3 448.611 3.097 40 0 IGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917833 556851234 /nfs/dbraw/zinc/85/12/34/556851234.db2.gz MWPMSHAXOHRZSG-LFBVJSBHSA-N 0 3 439.596 3.341 40 0 IGABHN CN(C)CCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000019697875 556855802 /nfs/dbraw/zinc/85/58/02/556855802.db2.gz VKWFNONVAWHSCV-LJQANCHMSA-N 0 3 437.565 3.406 40 0 IGABHN CC[C@@H](C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2)N1CCCC1 ZINC000019698597 556857143 /nfs/dbraw/zinc/85/71/43/556857143.db2.gz OLKCKPFBICJHBD-QFIPXVFZSA-N 0 3 449.599 3.140 40 0 IGABHN CC[C@H](C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2)N1CCCC1 ZINC000019698596 556857211 /nfs/dbraw/zinc/85/72/11/556857211.db2.gz OLKCKPFBICJHBD-JOCHJYFZSA-N 0 3 449.599 3.140 40 0 IGABHN COc1cccc(CCCNc2nc(C3CCN(C)CC3)nc3c2CN(C(C)=O)CC3)c1 ZINC000019710462 556873443 /nfs/dbraw/zinc/87/34/43/556873443.db2.gz OMKDDDSZLDGIHA-UHFFFAOYSA-N 0 3 437.588 3.244 40 0 IGABHN Cc1ccc([C@H](O)CN2CC=C(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000072339511 556911738 /nfs/dbraw/zinc/91/17/38/556911738.db2.gz IARWLSTXCFSPNO-XMMPIXPASA-N 0 3 434.584 3.323 40 0 IGABHN COC(=O)[C@]1(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340265 556912150 /nfs/dbraw/zinc/91/21/50/556912150.db2.gz UHLYUMFZFNWZRR-MUNBIWSKSA-N 0 3 426.557 3.046 40 0 IGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1OC ZINC000019819187 556922013 /nfs/dbraw/zinc/92/20/13/556922013.db2.gz INQBDDWFSXCZMU-QGZVFWFLSA-N 0 3 442.443 3.282 40 0 IGABHN CN(C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccccc1F ZINC000072394717 556966161 /nfs/dbraw/zinc/96/61/61/556966161.db2.gz LLJPKVOBANZNHT-VXKWHMMOSA-N 0 3 425.548 3.184 40 0 IGABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CCCCNC(=O)OCc3ccccc3)ccc12 ZINC000644163763 557093698 /nfs/dbraw/zinc/09/36/98/557093698.db2.gz ZSNXCTDQMRXAIQ-HXUWFJFHSA-N 0 3 437.496 3.464 40 0 IGABHN CN(C)CCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010111588 557204132 /nfs/dbraw/zinc/20/41/32/557204132.db2.gz LWAUTXOGMZGNNR-UHFFFAOYSA-N 0 3 437.565 3.374 40 0 IGABHN Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(Cc3cccc(OCCN(C)C)c3)C2)c1 ZINC000585284309 557224110 /nfs/dbraw/zinc/22/41/10/557224110.db2.gz WRVCIQOYPYJBNK-SANMLTNESA-N 0 3 442.600 3.195 40 0 IGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382068 557236779 /nfs/dbraw/zinc/23/67/79/557236779.db2.gz BYFWZYIZSOUBFE-DPZOUVDISA-N 0 3 443.469 3.251 40 0 biogenic,in-vitro IGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382654 557237137 /nfs/dbraw/zinc/23/71/37/557237137.db2.gz XKYGASBEGCVMDD-OHUMZHCVSA-N 0 3 425.479 3.112 40 0 biogenic,in-vitro IGABHN CSc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000113933312 557379138 /nfs/dbraw/zinc/37/91/38/557379138.db2.gz MFLIQWSXDNZEPW-UHFFFAOYSA-N 0 3 447.626 3.123 40 0 IGABHN Cc1cccc(C)c1N(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000113963232 557382733 /nfs/dbraw/zinc/38/27/33/557382733.db2.gz VKKPFYIWOMMDOO-UHFFFAOYSA-N 0 3 429.586 3.094 40 0 IGABHN Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1N1CCCC1=O ZINC000224784614 557651118 /nfs/dbraw/zinc/65/11/18/557651118.db2.gz JTLNMIWEEKTTGC-UHFFFAOYSA-N 0 3 427.570 3.196 40 0 IGABHN CCc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O ZINC000224813745 557654547 /nfs/dbraw/zinc/65/45/47/557654547.db2.gz UDIBWCXGAZKVGV-UHFFFAOYSA-N 0 3 443.613 3.317 40 0 IGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288114 568619484 /nfs/dbraw/zinc/61/94/84/568619484.db2.gz WLFNVRBVZIZUII-MQNAVGNWSA-N 0 3 427.532 3.374 40 0 IGABHN Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019332665 568624453 /nfs/dbraw/zinc/62/44/53/568624453.db2.gz FGLIEGHLOOBBOE-VXKWHMMOSA-N 0 3 428.556 3.031 40 0 IGABHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257299223 568710880 /nfs/dbraw/zinc/71/08/80/568710880.db2.gz RPDYSFSMRUSMGB-QFIPXVFZSA-N 0 3 447.539 3.374 40 0 IGABHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257316427 568718233 /nfs/dbraw/zinc/71/82/33/568718233.db2.gz VFNUEVXJBJRFKC-HSZRJFAPSA-N 0 3 447.539 3.374 40 0 IGABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123279 568762604 /nfs/dbraw/zinc/76/26/04/568762604.db2.gz AIZCZRLDBGEELL-ZCYQVOJMSA-N 0 3 432.499 3.013 40 0 IGABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128612 568765364 /nfs/dbraw/zinc/76/53/64/568765364.db2.gz HGDYZSZXUDCTPX-VPUSJEBWSA-N 0 3 443.547 3.487 40 0 IGABHN Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129389 568765768 /nfs/dbraw/zinc/76/57/68/568765768.db2.gz IBSSISUPRXXHKY-VPUSJEBWSA-N 0 3 442.563 3.491 40 0 IGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134812 568768759 /nfs/dbraw/zinc/76/87/59/568768759.db2.gz NYQIWMYXNWKSNZ-RDGATRHJSA-N 0 3 430.556 3.272 40 0 IGABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1N(Cc3ccoc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306141269 568771896 /nfs/dbraw/zinc/77/18/96/568771896.db2.gz VQIJEBGMADOFOU-PXDATVDWSA-N 0 3 431.540 3.312 40 0 IGABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143795 568773471 /nfs/dbraw/zinc/77/34/71/568773471.db2.gz YMMXJJSZLNRZDI-WIOPSUGQSA-N 0 3 447.587 3.094 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccn2)n1 ZINC000328964587 568807846 /nfs/dbraw/zinc/80/78/46/568807846.db2.gz BWLAOOZSZHVQFJ-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN COc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329002804 568808991 /nfs/dbraw/zinc/80/89/91/568808991.db2.gz KJHGYSIMNNQCFZ-UHFFFAOYSA-N 0 3 432.450 3.127 40 0 IGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242539047 568886576 /nfs/dbraw/zinc/88/65/76/568886576.db2.gz JMWUNQBVJMMLDY-ZHALLVOQSA-N 0 3 428.337 3.441 40 0 IGABHN COc1cccc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1OC ZINC000248098774 569206987 /nfs/dbraw/zinc/20/69/87/569206987.db2.gz HCIFCDIAXQTEAD-PKTZIBPZSA-N 0 3 439.600 3.493 40 0 IGABHN O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369981 569226627 /nfs/dbraw/zinc/22/66/27/569226627.db2.gz BHBSLIMPKSRXNY-FCHUYYIVSA-N 0 3 434.584 3.165 40 0 IGABHN Cn1cc(CN2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019702569 569232254 /nfs/dbraw/zinc/23/22/54/569232254.db2.gz QXCIUWVERZFSIF-MRXNPFEDSA-N 0 3 434.565 3.500 40 0 IGABHN COc1ccc(CN2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1nc(C)cc1C ZINC000019763725 569238235 /nfs/dbraw/zinc/23/82/35/569238235.db2.gz CVXJILYJSPBYPH-HXUWFJFHSA-N 0 3 448.571 3.134 40 0 IGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000009076181 569293589 /nfs/dbraw/zinc/29/35/89/569293589.db2.gz HGEYGPHKXWJQND-FKBYEOEOSA-N 0 3 444.443 3.230 40 0 IGABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4ccc(F)cc43)CC1)CCC[C@@H]2O ZINC000067665272 569302002 /nfs/dbraw/zinc/30/20/02/569302002.db2.gz SVATZOFABXGUAB-IBGZPJMESA-N 0 3 426.492 3.081 40 0 in-vitro IGABHN Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)n21 ZINC000002947976 569426994 /nfs/dbraw/zinc/42/69/94/569426994.db2.gz ODRNBRDWNINMKX-LJQANCHMSA-N 0 3 443.551 3.299 40 0 IGABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218609663 569458762 /nfs/dbraw/zinc/45/87/62/569458762.db2.gz PZNWUMMNDSWCMW-VIZSFHNOSA-N 0 3 430.570 3.465 40 0 IGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624009 569458823 /nfs/dbraw/zinc/45/88/23/569458823.db2.gz NHXYXGLVSUDYEB-LNLFQRSKSA-N 0 3 428.337 3.441 40 0 IGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624081 569458830 /nfs/dbraw/zinc/45/88/30/569458830.db2.gz NHXYXGLVSUDYEB-JENIJYKNSA-N 0 3 428.337 3.441 40 0 IGABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242648340 569462061 /nfs/dbraw/zinc/46/20/61/569462061.db2.gz QSZSISYOCBVXGG-TXTKFYIRSA-N 0 3 430.570 3.411 40 0 IGABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242648341 569462094 /nfs/dbraw/zinc/46/20/94/569462094.db2.gz QSZSISYOCBVXGG-ZRCGQRJVSA-N 0 3 430.570 3.411 40 0 IGABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955515 556236524 /nfs/dbraw/zinc/23/65/24/556236524.db2.gz VGEBQTXHXAHOKY-CTNGQTDRSA-N 0 3 447.560 3.491 40 0 IGABHN COc1cc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000012085367 556399081 /nfs/dbraw/zinc/39/90/81/556399081.db2.gz KIGKGCMFWIBDLT-HNNXBMFYSA-N 0 3 429.546 3.340 40 0 IGABHN COCCN1C(=O)C(CC(=O)Nc2cccc(OC(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963963 556630688 /nfs/dbraw/zinc/63/06/88/556630688.db2.gz KCIKSRHBXTUUJC-KRWDZBQOSA-N 0 3 448.401 3.498 40 0 IGABHN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CCN2C)c1 ZINC000257266782 556713323 /nfs/dbraw/zinc/71/33/23/556713323.db2.gz MENAMWWKJAKDGR-XMMPIXPASA-N 0 3 448.611 3.164 40 0 IGABHN CN1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257285893 556715561 /nfs/dbraw/zinc/71/55/61/556715561.db2.gz PJISSXWQJMJLOH-FQEVSTJZSA-N 0 3 426.524 3.062 40 0 IGABHN COc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OCCN1CCOCC1 ZINC000019234517 556718847 /nfs/dbraw/zinc/71/88/47/556718847.db2.gz HXDLWVPPBBWHAU-UHFFFAOYSA-N 0 3 440.584 3.198 40 0 IGABHN Cc1nccn1C[C@@H](C)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019287761 556728436 /nfs/dbraw/zinc/72/84/36/556728436.db2.gz KBQXFPOWDQLCEO-QGZVFWFLSA-N 0 3 438.551 3.148 40 0 IGABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019342789 556740673 /nfs/dbraw/zinc/74/06/73/556740673.db2.gz ZIXMTVYFDBEUMQ-INIZCTEOSA-N 0 3 440.594 3.471 40 0 IGABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019342789 556740674 /nfs/dbraw/zinc/74/06/74/556740674.db2.gz ZIXMTVYFDBEUMQ-INIZCTEOSA-N 0 3 440.594 3.471 40 0 IGABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343449 556741009 /nfs/dbraw/zinc/74/10/09/556741009.db2.gz BYBAZTMNGCTDQH-OAHLLOKOSA-N 0 3 440.594 3.471 40 0 IGABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343449 556741011 /nfs/dbraw/zinc/74/10/11/556741011.db2.gz BYBAZTMNGCTDQH-OAHLLOKOSA-N 0 3 440.594 3.471 40 0 IGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499329 556771102 /nfs/dbraw/zinc/77/11/02/556771102.db2.gz PCTXDFPXCDUXCF-VXKWHMMOSA-N 0 3 440.540 3.428 40 0 IGABHN COc1ccccc1CC(=O)N1CCCC[C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)C[C@H]21 ZINC000019583524 556820749 /nfs/dbraw/zinc/82/07/49/556820749.db2.gz OXRXNBMCZKAWHJ-BJKOFHAPSA-N 0 3 449.595 3.453 40 0 IGABHN COc1cc2c(cc1CNCCc1cc(N(C)C)nc(-c3ccccn3)n1)OCCCO2 ZINC000019584305 556821563 /nfs/dbraw/zinc/82/15/63/556821563.db2.gz AEYAJTXZQSFIPG-UHFFFAOYSA-N 0 3 435.528 3.107 40 0 IGABHN O=C(CN1CCC(c2ccc3c(n[nH]c3NCc3ncc[nH]3)n2)CC1)Nc1ccccc1F ZINC000019744910 556891480 /nfs/dbraw/zinc/89/14/80/556891480.db2.gz UZQYNAHVEQAYLS-UHFFFAOYSA-N 0 3 448.506 3.250 40 0 IGABHN O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)Nc1ccccc1CN1CCCC1 ZINC000019750693 556894842 /nfs/dbraw/zinc/89/48/42/556894842.db2.gz OTEMTOULYNIZOQ-UHFFFAOYSA-N 0 3 436.556 3.145 40 0 IGABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nnc(CC)s2)=N[C@H]1c1ccccc1 ZINC000408986667 556909690 /nfs/dbraw/zinc/90/96/90/556909690.db2.gz CUAKXYXEYQTESX-KRWDZBQOSA-N 0 3 445.570 3.310 40 0 IGABHN COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340245 556912295 /nfs/dbraw/zinc/91/22/95/556912295.db2.gz JDOCYYZOHHZWOL-OVTMVEJHSA-N 0 3 426.557 3.331 40 0 IGABHN CCCOc1ccc([C@H]2NC(N3CCc4ccccc4C3)=NC(=O)[C@H]2C(=O)OCC)cc1 ZINC000019817749 556920414 /nfs/dbraw/zinc/92/04/14/556920414.db2.gz SWQPSSZBTXBSRR-FCHUYYIVSA-N 0 3 435.524 3.240 40 0 IGABHN CCCOc1ccc([C@@H]2NC(N3CCc4ccccc4C3)=NC(=O)[C@@H]2C(=O)OCC)cc1 ZINC000019817743 556920615 /nfs/dbraw/zinc/92/06/15/556920615.db2.gz SWQPSSZBTXBSRR-YADHBBJMSA-N 0 3 435.524 3.240 40 0 IGABHN CN1CCN(c2cc(C3CCN(Cc4ccccc4F)CC3)nc(-c3cnccn3)n2)CC1 ZINC000072352939 556925447 /nfs/dbraw/zinc/92/54/47/556925447.db2.gz VWRZNJLCZBKPED-UHFFFAOYSA-N 0 3 447.562 3.204 40 0 IGABHN Cc1nn(C)cc1CN1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370557 556935428 /nfs/dbraw/zinc/93/54/28/556935428.db2.gz PHUZZIDTSLXDMG-GOSISDBHSA-N 0 3 426.586 3.263 40 0 IGABHN COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1 ZINC000072374491 556948245 /nfs/dbraw/zinc/94/82/45/556948245.db2.gz LRQSRCUTVVZBIJ-NRFANRHFSA-N 0 3 434.544 3.450 40 0 IGABHN COc1ccc(C(=O)CCCN2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)cc1 ZINC000072399192 556971842 /nfs/dbraw/zinc/97/18/42/556971842.db2.gz CAAGSLCAKCSMJP-AZUAARDMSA-N 0 3 434.544 3.315 40 0 IGABHN O=C(CN1CCC[C@H]2CCCC[C@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000257262777 556989606 /nfs/dbraw/zinc/98/96/06/556989606.db2.gz LMWGXQPXGYDXCI-IFMALSPDSA-N 0 3 426.605 3.330 40 0 IGABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)CC2CCCC2)CC3)C1=O ZINC000096144400 557172516 /nfs/dbraw/zinc/17/25/16/557172516.db2.gz RSWJSAOFUUQRNH-AREMUKBSSA-N 0 3 438.616 3.325 40 0 IGABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O ZINC000096262812 557190390 /nfs/dbraw/zinc/19/03/90/557190390.db2.gz WSORJLRYIPNOAX-MHZLTWQESA-N 0 3 446.595 3.367 40 0 IGABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218609578 557210015 /nfs/dbraw/zinc/21/00/15/557210015.db2.gz PZNWUMMNDSWCMW-JTAQYXEDSA-N 0 3 430.570 3.465 40 0 IGABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585283912 557223436 /nfs/dbraw/zinc/22/34/36/557223436.db2.gz IQVASUOEDNLKMZ-AZUAARDMSA-N 0 3 442.865 3.087 40 0 IGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382406 557237071 /nfs/dbraw/zinc/23/70/71/557237071.db2.gz QZYVRJIVZQTLLN-DAVBRLECSA-N 0 3 425.479 3.112 40 0 biogenic,in-vitro IGABHN CC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773638 557265703 /nfs/dbraw/zinc/26/57/03/557265703.db2.gz NMUPNGJJXVESJB-OIBXWCBGSA-N 0 3 437.584 3.111 40 0 IGABHN N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1 ZINC000100708804 557270750 /nfs/dbraw/zinc/27/07/50/557270750.db2.gz QRKHCLUXEGXIEH-UEXGIBASSA-N 0 3 449.534 3.109 40 0 IGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000223277697 557454958 /nfs/dbraw/zinc/45/49/58/557454958.db2.gz ZPFQLUSQSGSXOS-DHIUTWEWSA-N 0 3 434.613 3.472 40 0 IGABHN COC(=O)c1cc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc(C(=O)OC)c1 ZINC000225230922 557702803 /nfs/dbraw/zinc/70/28/03/557702803.db2.gz ZBKNUUBGFAEQCA-UHFFFAOYSA-N 0 3 447.582 3.272 40 0 IGABHN CN1CN(c2ccccc2)C2(CCN(CCCC3(c4cccs4)OCCO3)CC2)C1=O ZINC000001641843 562923528 /nfs/dbraw/zinc/92/35/28/562923528.db2.gz LHEALNCPBFTZHK-UHFFFAOYSA-N 0 3 441.597 3.499 40 0 IGABHN COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccncc3)CC2)C1 ZINC000306131396 568766621 /nfs/dbraw/zinc/76/66/21/568766621.db2.gz KDFWXIRPHOYOSC-UHFFFAOYSA-N 0 3 436.491 3.053 40 0 IGABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000306131290 568766787 /nfs/dbraw/zinc/76/67/87/568766787.db2.gz KAJKLXPCRUCPFF-HSZRJFAPSA-N 0 3 425.548 3.150 40 0 IGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccn3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136779 568769668 /nfs/dbraw/zinc/76/96/68/568769668.db2.gz QCWKVVJTHYKBJW-WIOPSUGQSA-N 0 3 430.556 3.272 40 0 IGABHN CCc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137485 568770176 /nfs/dbraw/zinc/77/01/76/568770176.db2.gz QXMUHQAWHPXKMZ-XNMGPUDCSA-N 0 3 442.563 3.436 40 0 IGABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc(Cl)cc4)C[C@@H]2C3)cc1 ZINC000306138392 568770437 /nfs/dbraw/zinc/77/04/37/568770437.db2.gz RWKGAAYJFGYWED-IRXDYDNUSA-N 0 3 437.931 3.497 40 0 IGABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139779 568771348 /nfs/dbraw/zinc/77/13/48/568771348.db2.gz UAIIENFLMILDFB-AZGAKELHSA-N 0 3 428.536 3.182 40 0 IGABHN O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3ccc4c(c3)CCC4)C2)O1)C1CC(F)(F)C1 ZINC000306140734 568771744 /nfs/dbraw/zinc/77/17/44/568771744.db2.gz VCKLOHKJURQAPL-FYYLOGMGSA-N 0 3 434.527 3.087 40 0 IGABHN CN(C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccncc2)n1 ZINC000328994485 568808863 /nfs/dbraw/zinc/80/88/63/568808863.db2.gz JEMLVVWAMDPHNV-UHFFFAOYSA-N 0 3 431.313 3.001 40 0 IGABHN Cc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c(Br)c1 ZINC000329010297 568809306 /nfs/dbraw/zinc/80/93/06/568809306.db2.gz MAOYFGQDBHFUHB-UHFFFAOYSA-N 0 3 427.350 3.170 40 0 IGABHN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329067979 568810916 /nfs/dbraw/zinc/81/09/16/568810916.db2.gz YLKPQQZDGQJWPI-UHFFFAOYSA-N 0 3 441.377 3.479 40 0 IGABHN CC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000248122113 569207164 /nfs/dbraw/zinc/20/71/64/569207164.db2.gz NMUPNGJJXVESJB-WWPVKYPJSA-N 0 3 437.584 3.111 40 0 IGABHN C[C@@]12CCN(Cc3cnc(N4CCOCC4)nc3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713406 569235644 /nfs/dbraw/zinc/23/56/44/569235644.db2.gz XZFRZMFFJOESFW-ZEQKJWHPSA-N 0 3 449.599 3.249 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252517064 569288363 /nfs/dbraw/zinc/28/83/63/569288363.db2.gz ZFRBBAVBSOTKFN-JQVVWYNYSA-N 0 3 434.533 3.296 40 0 IGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218658139 569458964 /nfs/dbraw/zinc/45/89/64/569458964.db2.gz XNGNUZWPYJRASA-WOIUINJBSA-N 0 3 434.533 3.296 40 0 IGABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218647743 569459013 /nfs/dbraw/zinc/45/90/13/569459013.db2.gz QSZSISYOCBVXGG-MZKRTTBSSA-N 0 3 430.570 3.411 40 0 IGABHN