smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2nc(SC)nc3c4c5c(c(C(C)C)nc4sc32)CCC5)CC1 ZINC000002428349 132254330 /nfs/dbraw/zinc/25/43/30/132254330.db2.gz LPJDMLUASCJHJH-UHFFFAOYSA-N 1 1 427.643 4.715 50 0 IJAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012573260 520465729 /nfs/dbraw/zinc/46/57/29/520465729.db2.gz FUELHXRSXPQHGV-UHFFFAOYSA-N 1 1 433.495 4.685 50 0 IJAAMO CCOC(=O)C12CN(Cc3ccccc3)CC1(c1ccccc1)C[N@@H+](Cc1ccccc1)C2 ZINC000022011010 520472393 /nfs/dbraw/zinc/47/23/93/520472393.db2.gz ZIBNXPATEDLEBG-UHFFFAOYSA-N 1 1 440.587 4.506 50 0 IJAAMO CCCC[N@H+]1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925676 520587470 /nfs/dbraw/zinc/58/74/70/520587470.db2.gz UUGKFDSBDYRJAC-UHFFFAOYSA-N 1 1 440.595 4.719 50 0 IJAAMO CCOC(=O)CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)CC ZINC000035844787 520636116 /nfs/dbraw/zinc/63/61/16/520636116.db2.gz VMIXPSROSXTXJV-OAQYLSRUSA-N 1 1 442.600 4.603 50 0 IJAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000035925685 521541831 /nfs/dbraw/zinc/54/18/31/521541831.db2.gz QVCNCGLZUNJFJG-UHFFFAOYSA-N 1 1 432.597 4.542 50 0 IJAAMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000012780660 522118086 /nfs/dbraw/zinc/11/80/86/522118086.db2.gz YOOFNUVEJPCBQC-IBGZPJMESA-N 1 1 428.916 4.553 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012582173 522819452 /nfs/dbraw/zinc/81/94/52/522819452.db2.gz OHONSTAIOAERGI-IBGZPJMESA-N 1 1 427.541 4.595 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012582173 522819461 /nfs/dbraw/zinc/81/94/61/522819461.db2.gz OHONSTAIOAERGI-IBGZPJMESA-N 1 1 427.541 4.595 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1 ZINC000021805278 523099465 /nfs/dbraw/zinc/09/94/65/523099465.db2.gz PMGPBHHUTNYCSJ-JOCHJYFZSA-N 1 1 439.943 4.961 50 0 IJAAMO C[N@@H+](C[C@H]1CCCCO1)C1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000012162061 523109971 /nfs/dbraw/zinc/10/99/71/523109971.db2.gz BYBHGMPBFUYVLJ-AREMUKBSSA-N 1 1 435.612 4.728 50 0 IJAAMO COc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1Cl ZINC000022078650 523135909 /nfs/dbraw/zinc/13/59/09/523135909.db2.gz IYXPNZONNHYAFF-IBGZPJMESA-N 1 1 429.929 4.512 50 0 IJAAMO COc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1Cl ZINC000022078650 523135918 /nfs/dbraw/zinc/13/59/18/523135918.db2.gz IYXPNZONNHYAFF-IBGZPJMESA-N 1 1 429.929 4.512 50 0 IJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccc(Cl)cc4)C3)n2)c(OC)c1OC ZINC000020777959 523288001 /nfs/dbraw/zinc/28/80/01/523288001.db2.gz QCVBKHFIMVZMTL-MRXNPFEDSA-N 1 1 443.931 4.795 50 0 IJAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012613054 523733046 /nfs/dbraw/zinc/73/30/46/523733046.db2.gz NRBCHFHGWACYAH-QFIPXVFZSA-N 1 1 442.603 4.808 50 0 in-vitro IJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)cc1OC ZINC000012306736 523779778 /nfs/dbraw/zinc/77/97/78/523779778.db2.gz CCCBLTHTJWAVIN-FQEVSTJZSA-N 1 1 433.552 4.806 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)c(OC)c1 ZINC000012320238 524047964 /nfs/dbraw/zinc/04/79/64/524047964.db2.gz NFEKWSWBMYLZCF-FQEVSTJZSA-N 1 1 449.595 4.504 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)c(OC)c1 ZINC000012320241 524048162 /nfs/dbraw/zinc/04/81/62/524048162.db2.gz NFEKWSWBMYLZCF-HXUWFJFHSA-N 1 1 449.595 4.504 50 0 IJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022791547 524274051 /nfs/dbraw/zinc/27/40/51/524274051.db2.gz HASKTEGSQSIDSF-IBGZPJMESA-N 1 1 437.971 4.517 50 0 IJAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)[N@@H+]3CCC[C@@]23C1=O ZINC000012596874 524455019 /nfs/dbraw/zinc/45/50/19/524455019.db2.gz CGCBBPVTULMYRE-YBXDKENTSA-N 1 1 445.588 4.757 50 0 IJAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)[N@H+]3CCC[C@@]23C1=O ZINC000012596874 524455027 /nfs/dbraw/zinc/45/50/27/524455027.db2.gz CGCBBPVTULMYRE-YBXDKENTSA-N 1 1 445.588 4.757 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)c(C)c1 ZINC000012373472 524482010 /nfs/dbraw/zinc/48/20/10/524482010.db2.gz MWUZHOTUUCSPPO-NRFANRHFSA-N 1 1 432.568 4.820 50 0 IJAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020538718 524559813 /nfs/dbraw/zinc/55/98/13/524559813.db2.gz XSFSFULODWJHPX-OAQYLSRUSA-N 1 1 433.518 4.501 50 0 IJAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022917865 525381418 /nfs/dbraw/zinc/38/14/18/525381418.db2.gz HSMGNJFIAORGRB-XMMPIXPASA-N 1 1 449.620 4.963 50 0 IJAAMO Cc1ccc(C(=O)N[C@@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000012661418 526198852 /nfs/dbraw/zinc/19/88/52/526198852.db2.gz ZOLFVJQELZIKQS-SCTDSRPQSA-N 1 1 433.807 4.702 50 0 biogenic IJAAMO O=C(c1cc2ccsc2n1Cc1cccc(F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035843868 526643480 /nfs/dbraw/zinc/64/34/80/526643480.db2.gz PDCKOHGDCAHZJZ-UHFFFAOYSA-N 1 1 433.552 4.848 50 0 IJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1OC(F)(F)F ZINC000012797223 526729501 /nfs/dbraw/zinc/72/95/01/526729501.db2.gz HRGQUVVVMYWPKP-UHFFFAOYSA-N 1 1 449.498 4.691 50 0 IJAAMO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785668 527566082 /nfs/dbraw/zinc/56/60/82/527566082.db2.gz OFBUDCHHWVPOCO-QGZVFWFLSA-N 1 1 428.945 4.675 50 0 IJAAMO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785665 527566380 /nfs/dbraw/zinc/56/63/80/527566380.db2.gz OFBUDCHHWVPOCO-KRWDZBQOSA-N 1 1 428.945 4.675 50 0 IJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020906209 527590426 /nfs/dbraw/zinc/59/04/26/527590426.db2.gz IZWRIANJILIWJU-QHCPKHFHSA-N 1 1 430.040 4.521 50 0 IJAAMO Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020906209 527590430 /nfs/dbraw/zinc/59/04/30/527590430.db2.gz IZWRIANJILIWJU-QHCPKHFHSA-N 1 1 430.040 4.521 50 0 IJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031492 527659486 /nfs/dbraw/zinc/65/94/86/527659486.db2.gz ZTCBRVKAEFHRED-HXUWFJFHSA-N 1 1 443.902 4.650 50 0 IJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031492 527659490 /nfs/dbraw/zinc/65/94/90/527659490.db2.gz ZTCBRVKAEFHRED-HXUWFJFHSA-N 1 1 443.902 4.650 50 0 IJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000032747984 556316683 /nfs/dbraw/zinc/31/66/83/556316683.db2.gz RXFYKQRBFXGHFB-GOSISDBHSA-N 1 1 425.729 4.809 50 0 IJAAMO C[C@@H](CNC(=O)c1ccco1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000011790729 556355639 /nfs/dbraw/zinc/35/56/39/556355639.db2.gz TVPCXNSEAAALDG-IBGZPJMESA-N 1 1 429.520 4.657 50 0 IJAAMO CSc1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011839040 556363768 /nfs/dbraw/zinc/36/37/68/556363768.db2.gz APQYUAMHOBWYDO-GOSISDBHSA-N 1 1 438.563 4.604 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000012074120 556396792 /nfs/dbraw/zinc/39/67/92/556396792.db2.gz MTNBVOZYQAWOBU-OAHLLOKOSA-N 1 1 444.988 4.984 50 0 IJAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030627 556489169 /nfs/dbraw/zinc/48/91/69/556489169.db2.gz VKYJCQXWIBMZTM-OAHLLOKOSA-N 1 1 440.897 4.602 50 0 IJAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030627 556489171 /nfs/dbraw/zinc/48/91/71/556489171.db2.gz VKYJCQXWIBMZTM-OAHLLOKOSA-N 1 1 440.897 4.602 50 0 IJAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)CCC3)c(C)c1 ZINC000004554268 556502865 /nfs/dbraw/zinc/50/28/65/556502865.db2.gz RCKWVADTESWWOU-MRXNPFEDSA-N 1 1 425.598 4.776 50 0 IJAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)CCC3)c(C)c1 ZINC000004554268 556502867 /nfs/dbraw/zinc/50/28/67/556502867.db2.gz RCKWVADTESWWOU-MRXNPFEDSA-N 1 1 425.598 4.776 50 0 IJAAMO O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016361726 556602696 /nfs/dbraw/zinc/60/26/96/556602696.db2.gz LGALQIJNMPNPHA-HSZRJFAPSA-N 1 1 434.967 4.912 50 0 IJAAMO CC1CCN(c2nc3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3s2)CC1 ZINC000005145298 556642266 /nfs/dbraw/zinc/64/22/66/556642266.db2.gz YMKVSYCGVDMFLO-UHFFFAOYSA-N 1 1 428.646 4.917 50 0 IJAAMO Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000247954432 556649513 /nfs/dbraw/zinc/64/95/13/556649513.db2.gz ZMFJFVWMLQEKEL-XUZZJYLKSA-N 1 1 426.004 4.964 50 0 IJAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]2CCC[N@H+]21 ZINC000013591804 556701078 /nfs/dbraw/zinc/70/10/78/556701078.db2.gz PGYPRCDEEGWUJY-WWQFTLRMSA-N 1 1 438.527 4.604 50 0 IJAAMO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1OC ZINC000019228912 556717857 /nfs/dbraw/zinc/71/78/57/556717857.db2.gz YFCAYEMZAKJYAS-HSZRJFAPSA-N 1 1 444.019 4.534 50 0 IJAAMO CCOc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1OC ZINC000019228912 556717859 /nfs/dbraw/zinc/71/78/59/556717859.db2.gz YFCAYEMZAKJYAS-HSZRJFAPSA-N 1 1 444.019 4.534 50 0 IJAAMO Cc1nc(COc2ccc(C[NH2+]Cc3cn4cc(Br)ccc4n3)cc2)cs1 ZINC000058161700 556765471 /nfs/dbraw/zinc/76/54/71/556765471.db2.gz RZSUQIOXLLFVBY-UHFFFAOYSA-N 1 1 443.370 4.731 50 0 IJAAMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000058380916 556784543 /nfs/dbraw/zinc/78/45/43/556784543.db2.gz LJNRFTLUTRHQBD-UHFFFAOYSA-N 1 1 425.248 4.872 50 0 IJAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 ZINC000033126357 556866930 /nfs/dbraw/zinc/86/69/30/556866930.db2.gz GTYDTBFJQILDDP-UHFFFAOYSA-N 1 1 444.579 4.770 50 0 IJAAMO O=C(c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720605 556876293 /nfs/dbraw/zinc/87/62/93/556876293.db2.gz YRDIOBNNYZHZDH-UHFFFAOYSA-N 1 1 435.365 4.997 50 0 IJAAMO O=C(CSc1nc2ccccc2[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019815322 556919551 /nfs/dbraw/zinc/91/95/51/556919551.db2.gz WTZLIHDYQHLHPF-UHFFFAOYSA-N 1 1 442.588 4.589 50 0 IJAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000019841114 556929828 /nfs/dbraw/zinc/92/98/28/556929828.db2.gz LIAZJPSLPOCFAV-UHFFFAOYSA-N 1 1 442.922 4.774 50 0 IJAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)C[C@@H](C)O1 ZINC000019881232 556937054 /nfs/dbraw/zinc/93/70/54/556937054.db2.gz FMODCWMNFKOSDH-IAGOWNOFSA-N 1 1 439.556 4.735 50 0 IJAAMO S=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020364093 557011920 /nfs/dbraw/zinc/01/19/20/557011920.db2.gz PTTQEIBWXIVEJU-UHFFFAOYSA-N 1 1 431.561 4.519 50 0 IJAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032506 557025081 /nfs/dbraw/zinc/02/50/81/557025081.db2.gz KEWVELWFYLYAAZ-UHFFFAOYSA-N 1 1 448.592 4.705 50 0 IJAAMO CCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032506 557025082 /nfs/dbraw/zinc/02/50/82/557025082.db2.gz KEWVELWFYLYAAZ-UHFFFAOYSA-N 1 1 448.592 4.705 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032504 557025100 /nfs/dbraw/zinc/02/51/00/557025100.db2.gz UJWVMGKJVJNUSM-UHFFFAOYSA-N 1 1 448.592 4.876 50 0 IJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032504 557025101 /nfs/dbraw/zinc/02/51/01/557025101.db2.gz UJWVMGKJVJNUSM-UHFFFAOYSA-N 1 1 448.592 4.876 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)CC(C)C)cc1 ZINC000046032491 557025111 /nfs/dbraw/zinc/02/51/11/557025111.db2.gz RGVLGLDROYZMCJ-UHFFFAOYSA-N 1 1 428.602 4.505 50 0 IJAAMO C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181243 557045410 /nfs/dbraw/zinc/04/54/10/557045410.db2.gz LBBOTFUYMWJUOG-NTKDMRAZSA-N 1 1 437.584 4.565 50 0 IJAAMO C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181459 557045417 /nfs/dbraw/zinc/04/54/17/557045417.db2.gz KTDAXBSSWSYASF-FDDCHVKYSA-N 1 1 429.605 4.836 50 0 IJAAMO CCOc1cc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1OC(F)F ZINC000048236449 557047266 /nfs/dbraw/zinc/04/72/66/557047266.db2.gz AXAGNAISTOHSFI-WEVVVXLNSA-N 1 1 431.414 4.972 50 0 IJAAMO Cc1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]2CCc3ccccc32)cc1 ZINC000048299565 557061730 /nfs/dbraw/zinc/06/17/30/557061730.db2.gz XIKJKXSWRLGDSI-AREMUKBSSA-N 1 1 441.575 4.825 50 0 IJAAMO Cc1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]2CCc3ccccc32)cc1 ZINC000048299565 557061733 /nfs/dbraw/zinc/06/17/33/557061733.db2.gz XIKJKXSWRLGDSI-AREMUKBSSA-N 1 1 441.575 4.825 50 0 IJAAMO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287615 557076939 /nfs/dbraw/zinc/07/69/39/557076939.db2.gz DRCBEVFFLLBCGW-BWKNWUBXSA-N 1 1 426.532 4.637 50 0 IJAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287615 557076942 /nfs/dbraw/zinc/07/69/42/557076942.db2.gz DRCBEVFFLLBCGW-BWKNWUBXSA-N 1 1 426.532 4.637 50 0 IJAAMO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)CO1 ZINC000036584858 557516851 /nfs/dbraw/zinc/51/68/51/557516851.db2.gz BSKACKTYAIEHIH-HYBUGGRVSA-N 1 1 430.548 4.876 50 0 IJAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1OC ZINC000045974143 557556076 /nfs/dbraw/zinc/55/60/76/557556076.db2.gz FUFBHAWBMHVIBG-UHFFFAOYSA-N 1 1 449.938 4.568 50 0 IJAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1OC ZINC000045974143 557556078 /nfs/dbraw/zinc/55/60/78/557556078.db2.gz FUFBHAWBMHVIBG-UHFFFAOYSA-N 1 1 449.938 4.568 50 0 IJAAMO Cc1nc(/C=C/C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cs1 ZINC000040072318 557684672 /nfs/dbraw/zinc/68/46/72/557684672.db2.gz UXACYGOVRLXOQE-VMPITWQZSA-N 1 1 427.570 4.677 50 0 IJAAMO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CCN(c2ccccc2)CC1 ZINC000225519338 557734568 /nfs/dbraw/zinc/73/45/68/557734568.db2.gz ICKHUENEKZVWAL-UHFFFAOYSA-N 1 1 427.346 4.600 50 0 IJAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)CC2)c1 ZINC000023372896 568613340 /nfs/dbraw/zinc/61/33/40/568613340.db2.gz VYHQTRLWAVDUSN-DEOSSOPVSA-N 1 1 431.546 4.925 50 0 IJAAMO CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1CC1CCCCC1 ZINC000299769765 568756525 /nfs/dbraw/zinc/75/65/25/568756525.db2.gz PYMJIJRBRZHNFB-YADHBBJMSA-N 1 1 431.577 4.588 50 0 IJAAMO C=Cc1c(C[N@H+](C)CC(C)=O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393403 568817221 /nfs/dbraw/zinc/81/72/21/568817221.db2.gz ADMFPOQNGHRBFT-UHFFFAOYSA-N 1 1 426.358 4.705 50 0 IJAAMO C=Cc1c(C[N@@H+](C)CC(C)=O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393403 568817222 /nfs/dbraw/zinc/81/72/22/568817222.db2.gz ADMFPOQNGHRBFT-UHFFFAOYSA-N 1 1 426.358 4.705 50 0 IJAAMO CC1(C)C[C@]2(CCC[N@@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000017057457 568929152 /nfs/dbraw/zinc/92/91/52/568929152.db2.gz UFYFORFRKLSCCV-MHZLTWQESA-N 1 1 447.623 4.976 50 0 biogenic IJAAMO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000064677231 568943999 /nfs/dbraw/zinc/94/39/99/568943999.db2.gz NNDHACZXOHXGFZ-FQEVSTJZSA-N 1 1 436.625 4.825 50 0 IJAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065588 568945337 /nfs/dbraw/zinc/94/53/37/568945337.db2.gz XOKMEQOKHQIANC-SFHVURJKSA-N 1 1 439.531 4.799 50 0 IJAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065588 568945338 /nfs/dbraw/zinc/94/53/38/568945338.db2.gz XOKMEQOKHQIANC-SFHVURJKSA-N 1 1 439.531 4.799 50 0 IJAAMO CC[C@H]1Cn2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc3c2c(ccc3Cl)O1 ZINC000064816635 568964180 /nfs/dbraw/zinc/96/41/80/568964180.db2.gz RWFLADQTQFJCGS-IBGZPJMESA-N 1 1 437.971 4.644 50 0 IJAAMO O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679072 568990157 /nfs/dbraw/zinc/99/01/57/568990157.db2.gz UYUPUGYPQAVOMK-GGAORHGYSA-N 1 1 443.513 4.950 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)CC)C[C@H]1CCCO1 ZINC000036303002 568993581 /nfs/dbraw/zinc/99/35/81/568993581.db2.gz HTBIWVINXKINFT-ISKFKSNPSA-N 1 1 449.595 4.979 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)CC)C[C@H]1CCCO1 ZINC000036303002 568993584 /nfs/dbraw/zinc/99/35/84/568993584.db2.gz HTBIWVINXKINFT-ISKFKSNPSA-N 1 1 449.595 4.979 50 0 IJAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304633 568994799 /nfs/dbraw/zinc/99/47/99/568994799.db2.gz QLJILDBLHNJYOV-JOCHJYFZSA-N 1 1 435.568 4.965 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036342004 569079622 /nfs/dbraw/zinc/07/96/22/569079622.db2.gz XGWXBHYZWPRYIS-OAQYLSRUSA-N 1 1 441.547 4.720 50 0 IJAAMO Cc1ccc(-c2ncc(C(=O)NCC[N@H+](C)C3CCCCC3)c(-c3ccncc3)n2)cc1 ZINC000065153919 569112179 /nfs/dbraw/zinc/11/21/79/569112179.db2.gz MPIXQWKEWKNJEF-UHFFFAOYSA-N 1 1 429.568 4.508 50 0 IJAAMO c1ccc(C2CCC(C[N@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5cnccn5)no4)C3)CC2)cc1 ZINC000252480827 569186399 /nfs/dbraw/zinc/18/63/99/569186399.db2.gz CEHPFXXRTMVVNM-SYPWUMLFSA-N 1 1 429.568 4.854 50 0 IJAAMO CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191007 569328151 /nfs/dbraw/zinc/32/81/51/569328151.db2.gz LQBJNUPRUZXMRP-DFQSSKMNSA-N 1 1 439.427 4.886 50 0 biogenic IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(C)C ZINC000020116077 569335123 /nfs/dbraw/zinc/33/51/23/569335123.db2.gz MVXCVAOMEGKFNY-BBITVKMKSA-N 1 1 435.697 4.751 50 0 IJAAMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000095456930 569368932 /nfs/dbraw/zinc/36/89/32/569368932.db2.gz APPRRWYANFWVSD-HNNXBMFYSA-N 1 1 431.437 4.580 50 0 IJAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)/C=C\c2c(Cl)nc3sccn23)cc1F ZINC000096055632 569381073 /nfs/dbraw/zinc/38/10/73/569381073.db2.gz KYUDHPUNFOHQAI-FOQNGQEVSA-N 1 1 429.908 4.573 50 0 IJAAMO O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716273 569431905 /nfs/dbraw/zinc/43/19/05/569431905.db2.gz BYGIXIWZOWBJQJ-SOFGYWHQSA-N 1 1 438.877 4.521 50 0 IJAAMO CCc1cc([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546453 569463534 /nfs/dbraw/zinc/46/35/34/569463534.db2.gz HILDYMYGTKIOLS-NRFANRHFSA-N 1 1 427.545 4.632 50 0 IJAAMO Cc1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546406 569463570 /nfs/dbraw/zinc/46/35/70/569463570.db2.gz VZPONVFOVFTIHD-HXUWFJFHSA-N 1 1 429.973 4.892 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709612 569470820 /nfs/dbraw/zinc/47/08/20/569470820.db2.gz YOEKBHBRPRHEBT-UIOOFZCWSA-N 1 1 432.589 4.972 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709612 569470821 /nfs/dbraw/zinc/47/08/21/569470821.db2.gz YOEKBHBRPRHEBT-UIOOFZCWSA-N 1 1 432.589 4.972 50 0 IJAAMO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[N@@H+]4CCCC[C@@H]4C)ccc3c2=O)c1 ZINC000008763873 569474481 /nfs/dbraw/zinc/47/44/81/569474481.db2.gz WGWDTMBBGUPPEA-VQTJNVASSA-N 1 1 437.536 4.816 50 0 IJAAMO O=C(C1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000069842486 569521285 /nfs/dbraw/zinc/52/12/85/569521285.db2.gz WLBJATSDSYOELI-QHCPKHFHSA-N 1 1 436.999 4.889 50 0 IJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009385866 569528439 /nfs/dbraw/zinc/52/84/39/569528439.db2.gz VBFAVCPEXDJPQA-NRFANRHFSA-N 1 1 449.595 4.921 50 0 IJAAMO COc1ccc(C(=O)c2c[nH+]c3ccccc3c2N2CCN(c3ccccc3F)CC2)cc1 ZINC000002713582 132256513 /nfs/dbraw/zinc/25/65/13/132256513.db2.gz XLKHBWVGIUFRQA-UHFFFAOYSA-N 1 1 441.506 4.940 50 0 IJAAMO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008832649 132295388 /nfs/dbraw/zinc/29/53/88/132295388.db2.gz GLIGLJOIIAUUOM-CYBMUJFWSA-N 1 1 442.774 4.805 50 0 IJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(c5ccccc5)CC3)n2)CCC4)CC1 ZINC000013040410 132343249 /nfs/dbraw/zinc/34/32/49/132343249.db2.gz SUFWYMFPKZBTMW-UHFFFAOYSA-N 1 1 447.652 4.739 50 0 IJAAMO Brc1ccc(-c2nnc3sc(C[N@H+]4CCc5ccccc5C4)cn32)cc1 ZINC000020851234 518209957 /nfs/dbraw/zinc/20/99/57/518209957.db2.gz QIFVNSFOYYITNR-UHFFFAOYSA-N 1 1 425.355 4.779 50 0 IJAAMO CCOc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000021795360 521087058 /nfs/dbraw/zinc/08/70/58/521087058.db2.gz XZCVTKWAEYDUDE-UHFFFAOYSA-N 1 1 446.555 4.590 50 0 IJAAMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000014981634 521354193 /nfs/dbraw/zinc/35/41/93/521354193.db2.gz JJPPVYOJTQCJFZ-FWSSAACNSA-N 1 1 430.552 4.516 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1nccs1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000020542623 521394647 /nfs/dbraw/zinc/39/46/47/521394647.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 1 1 426.605 4.850 50 0 IJAAMO CCN(Cc1cccn1-c1nccs1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020542623 521394696 /nfs/dbraw/zinc/39/46/96/521394696.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 1 1 426.605 4.850 50 0 IJAAMO CCN(Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020542623 521394712 /nfs/dbraw/zinc/39/47/12/521394712.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 1 1 426.605 4.850 50 0 IJAAMO CC[N@@H+](Cc1ccncc1)C1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000012158517 521418312 /nfs/dbraw/zinc/41/83/12/521418312.db2.gz QIVWEOIQSDPPQL-UHFFFAOYSA-N 1 1 444.579 4.590 50 0 IJAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268831 521684409 /nfs/dbraw/zinc/68/44/09/521684409.db2.gz CFBYVOHSNLCZMA-UHFFFAOYSA-N 1 1 449.576 4.852 50 0 IJAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc2c1OCO2 ZINC000020515812 521903827 /nfs/dbraw/zinc/90/38/27/521903827.db2.gz RQHPJOUGGLDOHI-MRXNPFEDSA-N 1 1 447.491 4.908 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)ccc1F ZINC000012438077 522374175 /nfs/dbraw/zinc/37/41/75/522374175.db2.gz AAKSNWHRVQHZEW-LJQANCHMSA-N 1 1 435.499 4.872 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000042496560 522820642 /nfs/dbraw/zinc/82/06/42/522820642.db2.gz CPXVGGLKMWAMCQ-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021324685 522907537 /nfs/dbraw/zinc/90/75/37/522907537.db2.gz NUNKEIHCGPOQSS-UHFFFAOYSA-N 1 1 425.941 4.587 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036043247 523036762 /nfs/dbraw/zinc/03/67/62/523036762.db2.gz WRNMAPOFJBYEKC-HOYKHHGWSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043247 523036776 /nfs/dbraw/zinc/03/67/76/523036776.db2.gz WRNMAPOFJBYEKC-HOYKHHGWSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593054 523201484 /nfs/dbraw/zinc/20/14/84/523201484.db2.gz IODSOJRNAHYGPI-INIZCTEOSA-N 1 1 438.524 4.940 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593054 523201498 /nfs/dbraw/zinc/20/14/98/523201498.db2.gz IODSOJRNAHYGPI-INIZCTEOSA-N 1 1 438.524 4.940 50 0 IJAAMO COCCN(C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020449341 523639574 /nfs/dbraw/zinc/63/95/74/523639574.db2.gz DFLFBOUKLMEJKV-SXBBHYFQSA-N 1 1 434.624 4.536 50 0 IJAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccc(OCCc2ccccn2)cc1)C1CCCC1 ZINC000012247347 523789602 /nfs/dbraw/zinc/78/96/02/523789602.db2.gz MVTORXXUUADGKU-AREMUKBSSA-N 1 1 435.612 4.849 50 0 IJAAMO COc1ccc(C(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000012820396 523796226 /nfs/dbraw/zinc/79/62/26/523796226.db2.gz WMOSCTYRZPMMGM-SFHVURJKSA-N 1 1 436.527 4.742 50 0 IJAAMO COc1ccc(C(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000012820396 523796231 /nfs/dbraw/zinc/79/62/31/523796231.db2.gz WMOSCTYRZPMMGM-SFHVURJKSA-N 1 1 436.527 4.742 50 0 IJAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328623 523953308 /nfs/dbraw/zinc/95/33/08/523953308.db2.gz IWZNCANJEFCGQA-GOSISDBHSA-N 1 1 427.976 4.754 50 0 IJAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328623 523953314 /nfs/dbraw/zinc/95/33/14/523953314.db2.gz IWZNCANJEFCGQA-GOSISDBHSA-N 1 1 427.976 4.754 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766049 524196647 /nfs/dbraw/zinc/19/66/47/524196647.db2.gz RGDGCQWVRIIVPO-OAQYLSRUSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766049 524196653 /nfs/dbraw/zinc/19/66/53/524196653.db2.gz RGDGCQWVRIIVPO-OAQYLSRUSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012112103 524222765 /nfs/dbraw/zinc/22/27/65/524222765.db2.gz GAQXFRYMVMGMBT-KRWDZBQOSA-N 1 1 444.959 4.751 50 0 IJAAMO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012297770 524618090 /nfs/dbraw/zinc/61/80/90/524618090.db2.gz OCBOLCYYRFOZNE-UHFFFAOYSA-N 1 1 441.482 4.651 50 0 IJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000012737720 525244137 /nfs/dbraw/zinc/24/41/37/525244137.db2.gz HEZISJXIILNVJO-FQEVSTJZSA-N 1 1 448.510 4.539 50 0 IJAAMO COc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447000 525283678 /nfs/dbraw/zinc/28/36/78/525283678.db2.gz NSNMRRSJBXMBCJ-FTJBHMTQSA-N 1 1 437.967 4.701 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nc(C)[nH+]2)cc1 ZINC000021795356 525322667 /nfs/dbraw/zinc/32/26/67/525322667.db2.gz ZFHIEXBUXJROGM-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)nc2c(C)c1 ZINC000020383905 525701846 /nfs/dbraw/zinc/70/18/46/525701846.db2.gz YUPSUDZZURFWGO-FQEVSTJZSA-N 1 1 442.673 4.900 50 0 IJAAMO COc1cccc(CN(C)c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)c1OC ZINC000012759080 525920999 /nfs/dbraw/zinc/92/09/99/525920999.db2.gz FJQMKCDLKHCCRF-UHFFFAOYSA-N 1 1 426.586 4.558 50 0 IJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2c1 ZINC000021934811 526242862 /nfs/dbraw/zinc/24/28/62/526242862.db2.gz RVNBZYQZLVETAV-UHFFFAOYSA-N 1 1 436.559 4.783 50 0 IJAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000020995965 526348283 /nfs/dbraw/zinc/34/82/83/526348283.db2.gz FOJDJXZHSWEPOC-HNNXBMFYSA-N 1 1 425.508 4.982 50 0 IJAAMO O=C(c1cc2ccsc2n1Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035843817 526643540 /nfs/dbraw/zinc/64/35/40/526643540.db2.gz OPELZRXTYCQBJK-UHFFFAOYSA-N 1 1 433.552 4.848 50 0 IJAAMO O=C(c1ccc2ncccc2c1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000012152882 526737116 /nfs/dbraw/zinc/73/71/16/526737116.db2.gz FJMBOXKGEUNLHW-UHFFFAOYSA-N 1 1 449.554 4.828 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012715253 526747250 /nfs/dbraw/zinc/74/72/50/526747250.db2.gz OJPRXZZEVSONRJ-KRWDZBQOSA-N 1 1 434.565 4.835 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012715253 526747254 /nfs/dbraw/zinc/74/72/54/526747254.db2.gz OJPRXZZEVSONRJ-KRWDZBQOSA-N 1 1 434.565 4.835 50 0 IJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000021795563 527002522 /nfs/dbraw/zinc/00/25/22/527002522.db2.gz BVFCYKSPUXBQDM-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)[nH+]1 ZINC000021794073 527004311 /nfs/dbraw/zinc/00/43/11/527004311.db2.gz WSQNLTRERPUKDN-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc(N(C)C)[nH+]1 ZINC000021794073 527004314 /nfs/dbraw/zinc/00/43/14/527004314.db2.gz WSQNLTRERPUKDN-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)[N@H+]3CCC[C@@]123 ZINC000012472246 527036862 /nfs/dbraw/zinc/03/68/62/527036862.db2.gz BPVRISAJLUOEDN-DDZLNHKNSA-N 1 1 441.600 4.715 50 0 IJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020906207 527590864 /nfs/dbraw/zinc/59/08/64/527590864.db2.gz IZWRIANJILIWJU-HSZRJFAPSA-N 1 1 430.040 4.521 50 0 IJAAMO Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020906207 527590872 /nfs/dbraw/zinc/59/08/72/527590872.db2.gz IZWRIANJILIWJU-HSZRJFAPSA-N 1 1 430.040 4.521 50 0 IJAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000009531047 535606303 /nfs/dbraw/zinc/60/63/03/535606303.db2.gz PLIVCIDOKMQMMQ-UHFFFAOYSA-N 1 1 426.520 4.867 50 0 IJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000032747986 556316676 /nfs/dbraw/zinc/31/66/76/556316676.db2.gz UPKBAYWHDZJRDT-GOSISDBHSA-N 1 1 425.729 4.809 50 0 IJAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](CCC(=O)N4CCOCC4)C3)ccc21 ZINC000011667401 556346567 /nfs/dbraw/zinc/34/65/67/556346567.db2.gz FICMYSZSLCAGGY-OAQYLSRUSA-N 1 1 433.596 4.665 50 0 IJAAMO CN(Cc1ccsc1)C(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@H+]1CC1CCCCC1 ZINC000011791519 556356319 /nfs/dbraw/zinc/35/63/19/556356319.db2.gz CUKINHWAOXTZQM-RTWAWAEBSA-N 1 1 429.655 4.917 50 0 IJAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3C)cc1)CC2)C(C)C ZINC000011999555 556385346 /nfs/dbraw/zinc/38/53/46/556385346.db2.gz MMPFGENWQWECRC-AREMUKBSSA-N 1 1 445.611 4.535 50 0 IJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992933 556428922 /nfs/dbraw/zinc/42/89/22/556428922.db2.gz GKOJTPOVIRBUCF-RYUDHWBXSA-N 1 1 426.355 4.775 50 0 IJAAMO O=C(NC[C@H]1CCC2(CC[NH+](Cc3c(F)cccc3Cl)CC2)O1)c1cccc(F)c1 ZINC000014879602 556452817 /nfs/dbraw/zinc/45/28/17/556452817.db2.gz OKHMIZLYRUWKGS-GOSISDBHSA-N 1 1 434.914 4.562 50 0 IJAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000014974294 556467750 /nfs/dbraw/zinc/46/77/50/556467750.db2.gz HZGMBOUTXUFDRL-GOSISDBHSA-N 1 1 448.521 4.634 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](Cc2cnn(C)c2)C(C)C)c(F)c1 ZINC000014975246 556468121 /nfs/dbraw/zinc/46/81/21/556468121.db2.gz UHZFAGBFBYYOKO-UHFFFAOYSA-N 1 1 433.531 4.831 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029486107 556476614 /nfs/dbraw/zinc/47/66/14/556476614.db2.gz HZZCHVXMZSQLGM-DEOSSOPVSA-N 1 1 429.520 4.505 50 0 IJAAMO COc1ccc(N[C@@H]2CCC[N@H+](C3CCN(c4ccc(F)cc4C)CC3)C2)cc1OC ZINC000015063918 556491486 /nfs/dbraw/zinc/49/14/86/556491486.db2.gz PDKVZCBUOKCRFD-OAQYLSRUSA-N 1 1 427.564 4.697 50 0 IJAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000015074663 556498425 /nfs/dbraw/zinc/49/84/25/556498425.db2.gz HXTBINFYDJTDKP-UHFFFAOYSA-N 1 1 442.922 4.774 50 0 IJAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032902800 556540867 /nfs/dbraw/zinc/54/08/67/556540867.db2.gz LYWLOTYFVVDDFM-UHFFFAOYSA-N 1 1 435.593 4.584 50 0 IJAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015961863 556569384 /nfs/dbraw/zinc/56/93/84/556569384.db2.gz ADLJZQUEYBDTTJ-QFIPXVFZSA-N 1 1 425.536 4.572 50 0 IJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cn1 ZINC000042972109 556660766 /nfs/dbraw/zinc/66/07/66/556660766.db2.gz COYYBDLZFIZOFR-SFHVURJKSA-N 1 1 449.505 4.929 50 0 IJAAMO COc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCCCn1cc[nH+]c1C ZINC000032933466 556677597 /nfs/dbraw/zinc/67/75/97/556677597.db2.gz HKSFCIPLHOAYOT-UHFFFAOYSA-N 1 1 440.956 4.735 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000018218008 556687351 /nfs/dbraw/zinc/68/73/51/556687351.db2.gz WNRWXCIOLYBXKN-DEOSSOPVSA-N 1 1 438.543 4.591 50 0 IJAAMO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1OC ZINC000019228913 556717681 /nfs/dbraw/zinc/71/76/81/556717681.db2.gz YFCAYEMZAKJYAS-QHCPKHFHSA-N 1 1 444.019 4.534 50 0 IJAAMO CCOc1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1OC ZINC000019228913 556717685 /nfs/dbraw/zinc/71/76/85/556717685.db2.gz YFCAYEMZAKJYAS-QHCPKHFHSA-N 1 1 444.019 4.534 50 0 IJAAMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000055198479 556737601 /nfs/dbraw/zinc/73/76/01/556737601.db2.gz SUQLMDOIGURUJW-QXLBXEOZSA-N 1 1 447.623 4.795 50 0 IJAAMO CCN(C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000058202294 556771457 /nfs/dbraw/zinc/77/14/57/556771457.db2.gz HAIXMYNCVYUPOC-HSALFYBXSA-N 1 1 427.564 4.728 50 0 IJAAMO CCN(C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000058202294 556771461 /nfs/dbraw/zinc/77/14/61/556771461.db2.gz HAIXMYNCVYUPOC-HSALFYBXSA-N 1 1 427.564 4.728 50 0 IJAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(Br)c3ccccc3n2C)cc1F ZINC000058434168 556788195 /nfs/dbraw/zinc/78/81/95/556788195.db2.gz CNXHQVJQWIJZJA-UHFFFAOYSA-N 1 1 441.304 4.504 50 0 IJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc(OC)c1OC ZINC000005390560 556794705 /nfs/dbraw/zinc/79/47/05/556794705.db2.gz QTUQIDXTWFXHJM-QXWFJRNPSA-N 1 1 429.532 4.720 50 0 IJAAMO COc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4nc(C)n5ccccc45)C3)ccn2)c(OC)c1 ZINC000065374232 556836082 /nfs/dbraw/zinc/83/60/82/556836082.db2.gz JGBCEGRWQXSPBM-HXUWFJFHSA-N 1 1 428.536 4.711 50 0 IJAAMO O=C(c1cc(-c2ccc(O)cc2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137448 556988690 /nfs/dbraw/zinc/98/86/90/556988690.db2.gz JVVCUYPJXYLHNK-UHFFFAOYSA-N 1 1 439.515 4.595 50 0 IJAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccnn3C)c2-c2nc3ccccc3s2)C1 ZINC000023128147 557012190 /nfs/dbraw/zinc/01/21/90/557012190.db2.gz IPXJNNZKYCMWQC-UHFFFAOYSA-N 1 1 437.594 4.777 50 0 IJAAMO O[C@@H](CSc1ccc(F)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421541 557015052 /nfs/dbraw/zinc/01/50/52/557015052.db2.gz OMVPTGIFRBDWKQ-XMMPIXPASA-N 1 1 436.596 4.686 50 0 IJAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000020432120 557016632 /nfs/dbraw/zinc/01/66/32/557016632.db2.gz PXGXYYDXQDUXFU-RUZDIDTESA-N 1 1 432.520 4.715 50 0 IJAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000020432120 557016635 /nfs/dbraw/zinc/01/66/35/557016635.db2.gz PXGXYYDXQDUXFU-RUZDIDTESA-N 1 1 432.520 4.715 50 0 IJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305737 557051994 /nfs/dbraw/zinc/05/19/94/557051994.db2.gz MNMHRRHTYKXWMA-ZDUSSCGKSA-N 1 1 437.853 4.571 50 0 IJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305737 557051998 /nfs/dbraw/zinc/05/19/98/557051998.db2.gz MNMHRRHTYKXWMA-ZDUSSCGKSA-N 1 1 437.853 4.571 50 0 IJAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C1 ZINC000048289900 557054736 /nfs/dbraw/zinc/05/47/36/557054736.db2.gz SMFVDUHRTGKWKK-HXUWFJFHSA-N 1 1 432.568 4.608 50 0 IJAAMO Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000033298604 557074675 /nfs/dbraw/zinc/07/46/75/557074675.db2.gz GAWPTVVQDLCVPQ-HXUWFJFHSA-N 1 1 436.625 4.628 50 0 IJAAMO COc1ccc(C[C@@H]([NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049581001 557116249 /nfs/dbraw/zinc/11/62/49/557116249.db2.gz HQPHILDAFOYDLI-HSZRJFAPSA-N 1 1 449.938 4.667 50 0 IJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027574384 557266245 /nfs/dbraw/zinc/26/62/45/557266245.db2.gz GTPFANJLRWMKQW-UHFFFAOYSA-N 1 1 446.551 4.601 50 0 IJAAMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+]3C[C@H](C4CCCCC4)C[C@H]23)cc(OC)c1OC ZINC000247898305 557399000 /nfs/dbraw/zinc/39/90/00/557399000.db2.gz DQQSJVFAXXWRKE-CEWLAPEOSA-N 1 1 431.573 4.550 50 0 biogenic IJAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC ZINC000105011934 557472847 /nfs/dbraw/zinc/47/28/47/557472847.db2.gz UNRWHSBXEFTWLZ-IFMALSPDSA-N 1 1 437.584 4.796 50 0 IJAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1)C(C)C ZINC000105049965 557473905 /nfs/dbraw/zinc/47/39/05/557473905.db2.gz GDEWFQHOPYSYGR-GGAORHGYSA-N 1 1 440.559 4.663 50 0 IJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670213 557760334 /nfs/dbraw/zinc/76/03/34/557760334.db2.gz SBZNNQITOZFKPR-NRFANRHFSA-N 1 1 431.621 4.861 50 0 IJAAMO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3ncccc13)CCO2 ZINC000012027049 562980373 /nfs/dbraw/zinc/98/03/73/562980373.db2.gz JECNSOJTSSJEHB-MUUNZHRXSA-N 1 1 440.543 4.916 50 0 IJAAMO CCc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441005 563024978 /nfs/dbraw/zinc/02/49/78/563024978.db2.gz XPSIKVKQGXEMJM-IXCJQBJRSA-N 1 1 431.576 4.610 50 0 IJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983532 568623838 /nfs/dbraw/zinc/62/38/38/568623838.db2.gz RRIOKYSTFVNGIJ-LOSJGSFVSA-N 1 1 434.967 4.939 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105003589 568624240 /nfs/dbraw/zinc/62/42/40/568624240.db2.gz CWORZVIZMQYQTM-NFBKMPQASA-N 1 1 437.584 4.971 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000015080458 568636668 /nfs/dbraw/zinc/63/66/68/568636668.db2.gz LQSRGWPIIYFKAO-HNNXBMFYSA-N 1 1 428.920 4.516 50 0 IJAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000229765838 568886852 /nfs/dbraw/zinc/88/68/52/568886852.db2.gz QEBBOZLXHQHKGB-DOTOQJQBSA-N 1 1 442.922 4.586 50 0 IJAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000229765838 568886854 /nfs/dbraw/zinc/88/68/54/568886854.db2.gz QEBBOZLXHQHKGB-DOTOQJQBSA-N 1 1 442.922 4.586 50 0 IJAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801559 568961536 /nfs/dbraw/zinc/96/15/36/568961536.db2.gz MHFGHCMBNHKOKD-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO Cc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036146065 568962067 /nfs/dbraw/zinc/96/20/67/568962067.db2.gz XBINMZJAJIGERJ-XZOQPEGZSA-N 1 1 445.003 4.820 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302936 568993521 /nfs/dbraw/zinc/99/35/21/568993521.db2.gz PMOUDNLKGDVKJL-HSZRJFAPSA-N 1 1 449.595 4.977 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302936 568993523 /nfs/dbraw/zinc/99/35/23/568993523.db2.gz PMOUDNLKGDVKJL-HSZRJFAPSA-N 1 1 449.595 4.977 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)CC)C1CC1 ZINC000036302774 568993687 /nfs/dbraw/zinc/99/36/87/568993687.db2.gz GIZKXXIOOSDHPZ-OAQYLSRUSA-N 1 1 435.568 4.971 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304842 568994602 /nfs/dbraw/zinc/99/46/02/568994602.db2.gz FQYQMKPIRVBBMK-QHCPKHFHSA-N 1 1 435.568 4.643 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304842 568994605 /nfs/dbraw/zinc/99/46/05/568994605.db2.gz FQYQMKPIRVBBMK-QHCPKHFHSA-N 1 1 435.568 4.643 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341226 569079117 /nfs/dbraw/zinc/07/91/17/569079117.db2.gz SBIOFNVOLKZEDO-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341226 569079119 /nfs/dbraw/zinc/07/91/19/569079119.db2.gz SBIOFNVOLKZEDO-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036341396 569079282 /nfs/dbraw/zinc/07/92/82/569079282.db2.gz CKLNOCXRVUUCTO-JOCHJYFZSA-N 1 1 425.960 4.758 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](c2cccc(F)c2)C1 ZINC000036344839 569080348 /nfs/dbraw/zinc/08/03/48/569080348.db2.gz ASRHIUIOSQFFIJ-DEOSSOPVSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](c2cccc(F)c2)C1 ZINC000036344839 569080350 /nfs/dbraw/zinc/08/03/50/569080350.db2.gz ASRHIUIOSQFFIJ-DEOSSOPVSA-N 1 1 431.511 4.644 50 0 IJAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000036390847 569097455 /nfs/dbraw/zinc/09/74/55/569097455.db2.gz NCTIFCHKNWDKGF-UHFFFAOYSA-N 1 1 432.540 4.508 50 0 IJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@H+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000065257922 569124228 /nfs/dbraw/zinc/12/42/28/569124228.db2.gz YZXWAPUDCZALPN-UHFFFAOYSA-N 1 1 429.927 4.760 50 0 IJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000065257922 569124230 /nfs/dbraw/zinc/12/42/30/569124230.db2.gz YZXWAPUDCZALPN-UHFFFAOYSA-N 1 1 429.927 4.760 50 0 IJAAMO FC(F)(F)c1cccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257953 569124259 /nfs/dbraw/zinc/12/42/59/569124259.db2.gz LRDJSNMCBJCBSW-UHFFFAOYSA-N 1 1 443.473 4.740 50 0 IJAAMO C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891051 569165538 /nfs/dbraw/zinc/16/55/38/569165538.db2.gz MDSPCNBGPIXHTP-GAJHUEQPSA-N 1 1 441.547 4.708 50 0 IJAAMO CC(=O)Nc1cccc([C@H](C)OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC000252516101 569189206 /nfs/dbraw/zinc/18/92/06/569189206.db2.gz QCRINRPYCNDIIK-IWMITWMQSA-N 1 1 434.458 4.560 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(F)c3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037570538 569201244 /nfs/dbraw/zinc/20/12/44/569201244.db2.gz PXCNKTOPAADNRY-UHFFFAOYSA-N 1 1 438.568 4.994 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000002308459 569272183 /nfs/dbraw/zinc/27/21/83/569272183.db2.gz KHNHWZMUOWMGQP-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000013347074 569313073 /nfs/dbraw/zinc/31/30/73/569313073.db2.gz ZGYHMLZJJYLSKW-UHFFFAOYSA-N 1 1 442.608 4.874 50 0 IJAAMO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000020178968 569354611 /nfs/dbraw/zinc/35/46/11/569354611.db2.gz ZOYQEARFKTUXIZ-UHFFFAOYSA-N 1 1 437.609 4.833 50 0 IJAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000096281797 569390089 /nfs/dbraw/zinc/39/00/89/569390089.db2.gz QIRRGZDBIHLBSI-JTHBVZDNSA-N 1 1 446.994 4.826 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000002915125 569424987 /nfs/dbraw/zinc/42/49/87/569424987.db2.gz KXNGOFYAYSRYLX-DQEYMECFSA-N 1 1 438.487 4.508 50 0 IJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008918000 569486184 /nfs/dbraw/zinc/48/61/84/569486184.db2.gz ZEJRMEFSBLSGKA-LBHAFVRUSA-N 1 1 441.999 4.714 50 0 biogenic IJAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000245237328 569500510 /nfs/dbraw/zinc/50/05/10/569500510.db2.gz JROIOXMOKUJDTF-OFVILXPXSA-N 1 1 431.561 4.533 50 0 IJAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000245237328 569500511 /nfs/dbraw/zinc/50/05/11/569500511.db2.gz JROIOXMOKUJDTF-OFVILXPXSA-N 1 1 431.561 4.533 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccccc3Cl)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293537 569520216 /nfs/dbraw/zinc/52/02/16/569520216.db2.gz WWWIHJDDUKIGCL-GOTSBHOMSA-N 1 1 427.895 4.848 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1 ZINC000069919480 569523888 /nfs/dbraw/zinc/52/38/88/569523888.db2.gz OXKKTGNHCKNHIX-HXUWFJFHSA-N 1 1 433.621 4.967 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000009516067 569543374 /nfs/dbraw/zinc/54/33/74/569543374.db2.gz DACFGUSXZCEOQX-AREMUKBSSA-N 1 1 427.548 4.900 50 0 IJAAMO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4nc(-c5cccs5)no4)C3)ccc2s1 ZINC000070655804 569550082 /nfs/dbraw/zinc/55/00/82/569550082.db2.gz RXSCEXCCMSKCAN-CQSZACIVSA-N 1 1 439.566 4.567 50 0 IJAAMO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4nc(-c5cccs5)no4)C3)ccc2s1 ZINC000070655804 569550083 /nfs/dbraw/zinc/55/00/83/569550083.db2.gz RXSCEXCCMSKCAN-CQSZACIVSA-N 1 1 439.566 4.567 50 0 IJAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000009680576 569560133 /nfs/dbraw/zinc/56/01/33/569560133.db2.gz HLFXOMYLALKMHF-LJQANCHMSA-N 1 1 432.568 4.839 50 0 IJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000009731849 569564745 /nfs/dbraw/zinc/56/47/45/569564745.db2.gz SEOAUSQSHATKAB-UHFFFAOYSA-N 1 1 441.934 4.971 50 0 IJAAMO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000054105952 193929090 /nfs/dbraw/zinc/92/90/90/193929090.db2.gz XOSJQDSFMSLDDD-UHFFFAOYSA-N 1 1 430.479 4.627 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008590041 132283686 /nfs/dbraw/zinc/28/36/86/132283686.db2.gz NAUNLPWRVSKAME-IBGZPJMESA-N 1 1 446.547 4.526 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)C1 ZINC000009962347 132332792 /nfs/dbraw/zinc/33/27/92/132332792.db2.gz VUPYDKBYQDEMEX-OYRHEFFESA-N 1 1 437.653 4.897 50 0 IJAAMO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@H]1CCC(=O)N1 ZINC000012385350 519662744 /nfs/dbraw/zinc/66/27/44/519662744.db2.gz UBWFSLLRPORAQB-HSZRJFAPSA-N 1 1 442.563 4.834 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012386570 519836076 /nfs/dbraw/zinc/83/60/76/519836076.db2.gz BZMDCSRRVSLVEA-QHCPKHFHSA-N 1 1 434.628 4.546 50 0 IJAAMO CCN(Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012595201 521276464 /nfs/dbraw/zinc/27/64/64/521276464.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 1 1 426.649 4.866 50 0 IJAAMO CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012595201 521276498 /nfs/dbraw/zinc/27/64/98/521276498.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 1 1 426.649 4.866 50 0 IJAAMO CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012595201 521276504 /nfs/dbraw/zinc/27/65/04/521276504.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 1 1 426.649 4.866 50 0 IJAAMO COc1c2c(cc3c1[C@@H]([C@@H]1c4ccccc4-c4ccc(C(C)=O)cc41)[N@@H+](C)CC3)OCO2 ZINC000012660622 521888971 /nfs/dbraw/zinc/88/89/71/521888971.db2.gz LQTAEKCRFQHJPA-RPBOFIJWSA-N 1 1 427.500 4.968 50 0 biogenic IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036041084 523036539 /nfs/dbraw/zinc/03/65/39/523036539.db2.gz BVHVTYNPUQQIQO-XMMPIXPASA-N 1 1 445.563 4.933 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036041084 523036546 /nfs/dbraw/zinc/03/65/46/523036546.db2.gz BVHVTYNPUQQIQO-XMMPIXPASA-N 1 1 445.563 4.933 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041047 523046784 /nfs/dbraw/zinc/04/67/84/523046784.db2.gz WZYFQCDKSLSKGZ-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041047 523046789 /nfs/dbraw/zinc/04/67/89/523046789.db2.gz WZYFQCDKSLSKGZ-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000012004740 523139520 /nfs/dbraw/zinc/13/95/20/523139520.db2.gz LYAJQBPNBXFJNI-OAQYLSRUSA-N 1 1 446.547 4.927 50 0 IJAAMO COc1ccc(/C=C/C(=O)NC[C@H](C)Oc2cccc(C[N@@H+](C)Cc3ccoc3)c2)cc1 ZINC000012212239 523392120 /nfs/dbraw/zinc/39/21/20/523392120.db2.gz BESDVCGJULKTTP-JTPHSUOKSA-N 1 1 434.536 4.517 50 0 IJAAMO COc1ccc(/C=C/CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012156003 523406401 /nfs/dbraw/zinc/40/64/01/523406401.db2.gz ZKFHCRQVMVPCFG-UKKYDJSUSA-N 1 1 438.641 4.566 50 0 IJAAMO CC[C@](O)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868676 523532612 /nfs/dbraw/zinc/53/26/12/523532612.db2.gz ISPPOPNUNDOMIR-RTWAWAEBSA-N 1 1 438.793 4.816 50 0 IJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949161 /nfs/dbraw/zinc/94/91/61/523949161.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 1 1 436.575 4.611 50 0 IJAAMO COc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003665 /nfs/dbraw/zinc/00/36/65/524003665.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 1 1 446.639 4.635 50 0 IJAAMO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003669 /nfs/dbraw/zinc/00/36/69/524003669.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 1 1 446.639 4.635 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012459605 524048028 /nfs/dbraw/zinc/04/80/28/524048028.db2.gz QXRQPFZHLNKABJ-SFHVURJKSA-N 1 1 430.976 4.666 50 0 IJAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795579 524152035 /nfs/dbraw/zinc/15/20/35/524152035.db2.gz QVVQZYNEEKHYDQ-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 ZINC000012920917 525371866 /nfs/dbraw/zinc/37/18/66/525371866.db2.gz VWUGVUOMYSIIEO-JOCHJYFZSA-N 1 1 443.316 4.915 50 0 IJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914638 525407853 /nfs/dbraw/zinc/40/78/53/525407853.db2.gz PAUAXZYLYGVPJC-HXUWFJFHSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914638 525407857 /nfs/dbraw/zinc/40/78/57/525407857.db2.gz PAUAXZYLYGVPJC-HXUWFJFHSA-N 1 1 432.948 4.922 50 0 IJAAMO Cc1cccn2c(C[N@@H+](C)C(C3CC3)C3CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012446546 525463416 /nfs/dbraw/zinc/46/34/16/525463416.db2.gz PDSKSQGQNWLXAN-UHFFFAOYSA-N 1 1 430.596 4.578 50 0 IJAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2c1 ZINC000021934442 526242563 /nfs/dbraw/zinc/24/25/63/526242563.db2.gz PFGYWOLJKGHUFZ-UHFFFAOYSA-N 1 1 436.559 4.783 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726720 526248252 /nfs/dbraw/zinc/24/82/52/526248252.db2.gz KRKSTXURDDICQS-JHMOUWFPSA-N 1 1 449.620 4.547 50 0 IJAAMO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc12 ZINC000012776558 526297336 /nfs/dbraw/zinc/29/73/36/526297336.db2.gz YVNFPQMYJBCDPQ-SFHVURJKSA-N 1 1 442.972 4.734 50 0 IJAAMO O=C(CC[C@H]1CCC[N@H+](C2CSCCSC2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012055953 526570311 /nfs/dbraw/zinc/57/03/11/526570311.db2.gz VWRDKTUHJKVSMP-OAHLLOKOSA-N 1 1 432.577 4.985 50 0 IJAAMO Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)c12 ZINC000022296496 526681577 /nfs/dbraw/zinc/68/15/77/526681577.db2.gz ORMRJAHDLCKUPG-CHWSQXEVSA-N 1 1 425.558 4.595 50 0 IJAAMO O=C(c1cccc(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020470465 526750160 /nfs/dbraw/zinc/75/01/60/526750160.db2.gz UQROPZAEWVKAMF-UHFFFAOYSA-N 1 1 435.365 4.997 50 0 IJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1 ZINC000012314705 527139010 /nfs/dbraw/zinc/13/90/10/527139010.db2.gz IHUAIJGQLQFRIJ-NRFANRHFSA-N 1 1 426.520 4.983 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1)c1ccc(F)cc1 ZINC000034681652 555814972 /nfs/dbraw/zinc/81/49/72/555814972.db2.gz INPPAMYQSOALNP-UHFFFAOYSA-N 1 1 438.934 4.839 50 0 IJAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cc1 ZINC000002872921 555850657 /nfs/dbraw/zinc/85/06/57/555850657.db2.gz GWMIFICDZDGJNN-UHFFFAOYSA-N 1 1 433.504 4.788 50 0 IJAAMO CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)C[N@H+](Cc2ccncc2)CC3)CC1 ZINC000034755734 555901032 /nfs/dbraw/zinc/90/10/32/555901032.db2.gz KGQJQTZMMFZXSY-UHFFFAOYSA-N 1 1 433.531 4.598 50 0 IJAAMO CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)C[N@@H+](Cc2ccncc2)CC3)CC1 ZINC000034755734 555901034 /nfs/dbraw/zinc/90/10/34/555901034.db2.gz KGQJQTZMMFZXSY-UHFFFAOYSA-N 1 1 433.531 4.598 50 0 IJAAMO C[N@H+]1CCCN(C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)CC1 ZINC000034922158 555932649 /nfs/dbraw/zinc/93/26/49/555932649.db2.gz OKPTXFJLQPVMRN-UHFFFAOYSA-N 1 1 431.511 4.866 50 0 IJAAMO CCc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)CC3)sc2c1 ZINC000004757403 556009696 /nfs/dbraw/zinc/00/96/96/556009696.db2.gz KWWDDQREPCMTAA-KDURUIRLSA-N 1 1 442.673 4.559 50 0 IJAAMO O=C1CCCN1CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714044 556129403 /nfs/dbraw/zinc/12/94/03/556129403.db2.gz DVUNQWLEDMFUBD-UHFFFAOYSA-N 1 1 429.499 4.651 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)ccc1OCc1ccccc1 ZINC000009933454 556316846 /nfs/dbraw/zinc/31/68/46/556316846.db2.gz IERIYVKOPINVAE-XMMPIXPASA-N 1 1 436.596 4.889 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000014084535 556364311 /nfs/dbraw/zinc/36/43/11/556364311.db2.gz QEUDAGRMVFDVLN-SJORKVTESA-N 1 1 435.499 4.764 50 0 IJAAMO CCCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012022063 556387101 /nfs/dbraw/zinc/38/71/01/556387101.db2.gz PVOMHWQKAKFWDU-QHCPKHFHSA-N 1 1 444.579 4.955 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1)NC1CC1 ZINC000012051415 556392456 /nfs/dbraw/zinc/39/24/56/556392456.db2.gz XAFUDLOKAOEELN-NRFANRHFSA-N 1 1 428.580 4.810 50 0 IJAAMO Cc1ccc(C)c(-n2cc(CN3CCC([N@H+]4CCC[C@@H](O)C4)CC3)c(-c3ccccc3)n2)c1 ZINC000012056779 556394451 /nfs/dbraw/zinc/39/44/51/556394451.db2.gz LRYUOAJMZGOJPV-AREMUKBSSA-N 1 1 444.623 4.577 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992932 556428862 /nfs/dbraw/zinc/42/88/62/556428862.db2.gz GKOJTPOVIRBUCF-TXEJJXNPSA-N 1 1 426.355 4.775 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992932 556428867 /nfs/dbraw/zinc/42/88/67/556428867.db2.gz GKOJTPOVIRBUCF-TXEJJXNPSA-N 1 1 426.355 4.775 50 0 IJAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000014713128 556435484 /nfs/dbraw/zinc/43/54/84/556435484.db2.gz KBXUFYLWADULKN-LJQANCHMSA-N 1 1 433.577 4.706 50 0 IJAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000014713125 556435548 /nfs/dbraw/zinc/43/55/48/556435548.db2.gz KBXUFYLWADULKN-IBGZPJMESA-N 1 1 433.577 4.706 50 0 IJAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000072273504 556452392 /nfs/dbraw/zinc/45/23/92/556452392.db2.gz PZBQFPALUWTKII-NRFANRHFSA-N 1 1 429.008 4.668 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000013108122 556461741 /nfs/dbraw/zinc/46/17/41/556461741.db2.gz OYVUMZPHGLILIM-XMMPIXPASA-N 1 1 443.547 4.895 50 0 IJAAMO COCCN(Cc1[nH]c2ccccc2c1C)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014976042 556468392 /nfs/dbraw/zinc/46/83/92/556468392.db2.gz UZKJRBWJIXONRL-JOCHJYFZSA-N 1 1 431.624 4.804 50 0 IJAAMO Cn1c(C[N@H+](C)CC(c2ccccc2)c2ccccc2)nnc1SCc1ccncc1 ZINC000014977502 556469635 /nfs/dbraw/zinc/46/96/35/556469635.db2.gz PITMZBKYQBXLLC-UHFFFAOYSA-N 1 1 429.593 4.766 50 0 IJAAMO Cn1c(C[N@@H+](C)CC(c2ccccc2)c2ccccc2)nnc1SCc1ccncc1 ZINC000014977502 556469636 /nfs/dbraw/zinc/46/96/36/556469636.db2.gz PITMZBKYQBXLLC-UHFFFAOYSA-N 1 1 429.593 4.766 50 0 IJAAMO Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1 ZINC000014980629 556470613 /nfs/dbraw/zinc/47/06/13/556470613.db2.gz BISQGTOCBWDVHM-GRTQGXPSSA-N 1 1 433.021 4.546 50 0 IJAAMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000072289423 556485103 /nfs/dbraw/zinc/48/51/03/556485103.db2.gz IZJNHRHQZYKSBC-QHCPKHFHSA-N 1 1 436.600 4.938 50 0 IJAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068566 556494153 /nfs/dbraw/zinc/49/41/53/556494153.db2.gz NJCJZONLOMGLHJ-IBGZPJMESA-N 1 1 432.593 4.508 50 0 IJAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068566 556494154 /nfs/dbraw/zinc/49/41/54/556494154.db2.gz NJCJZONLOMGLHJ-IBGZPJMESA-N 1 1 432.593 4.508 50 0 IJAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@H](C)C2)CCC3)c(C)c1 ZINC000004554264 556502878 /nfs/dbraw/zinc/50/28/78/556502878.db2.gz RCKWVADTESWWOU-INIZCTEOSA-N 1 1 425.598 4.776 50 0 IJAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)CCC3)c(C)c1 ZINC000004554264 556502880 /nfs/dbraw/zinc/50/28/80/556502880.db2.gz RCKWVADTESWWOU-INIZCTEOSA-N 1 1 425.598 4.776 50 0 IJAAMO O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000072294937 556514882 /nfs/dbraw/zinc/51/48/82/556514882.db2.gz GONLOGFWKGOXDF-UHFFFAOYSA-N 1 1 429.499 4.615 50 0 IJAAMO COc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000013556366 556516492 /nfs/dbraw/zinc/51/64/92/556516492.db2.gz NJFAWKDEUTVGFG-UHFFFAOYSA-N 1 1 447.604 4.808 50 0 IJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000013596428 556531944 /nfs/dbraw/zinc/53/19/44/556531944.db2.gz VZZRFQKHVRKRIW-MTCRFPMVSA-N 1 1 428.523 4.795 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCC2)o1 ZINC000015860480 556558689 /nfs/dbraw/zinc/55/86/89/556558689.db2.gz BYEJPLBYSVTWRD-KRWDZBQOSA-N 1 1 431.330 4.972 50 0 IJAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)CCCC2 ZINC000015946871 556567755 /nfs/dbraw/zinc/56/77/55/556567755.db2.gz RETMGWYCAKFTTB-UHFFFAOYSA-N 1 1 441.597 4.702 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947160 556568171 /nfs/dbraw/zinc/56/81/71/556568171.db2.gz VZQGYLZXDXEXJU-LJQANCHMSA-N 1 1 439.562 4.836 50 0 IJAAMO CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)C[C@H](O)COCc1ccccc1Cl ZINC000016043575 556578385 /nfs/dbraw/zinc/57/83/85/556578385.db2.gz PFEXWQNZPWYETR-NRFANRHFSA-N 1 1 435.992 4.927 50 0 IJAAMO CC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)s1 ZINC000032912913 556593470 /nfs/dbraw/zinc/59/34/70/556593470.db2.gz CDQZWCXUEYRUIM-UHFFFAOYSA-N 1 1 433.577 4.521 50 0 IJAAMO O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016361724 556602596 /nfs/dbraw/zinc/60/25/96/556602596.db2.gz LGALQIJNMPNPHA-QHCPKHFHSA-N 1 1 434.967 4.912 50 0 IJAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000016663030 556621167 /nfs/dbraw/zinc/62/11/67/556621167.db2.gz IIEPXNVIPLFQDO-UHFFFAOYSA-N 1 1 432.564 4.995 50 0 IJAAMO Cn1cc(C[NH+]2CCN(c3ccccc3O)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000055060911 556733604 /nfs/dbraw/zinc/73/36/04/556733604.db2.gz ZVIGOMHHCGPFSK-UHFFFAOYSA-N 1 1 440.547 4.907 50 0 IJAAMO C[N@H+](Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)Cc1ccccc1 ZINC000055369434 556740867 /nfs/dbraw/zinc/74/08/67/556740867.db2.gz QZXZCBPKTQWVIN-UHFFFAOYSA-N 1 1 444.966 4.818 50 0 IJAAMO C[N@@H+](Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)Cc1ccccc1 ZINC000055369434 556740870 /nfs/dbraw/zinc/74/08/70/556740870.db2.gz QZXZCBPKTQWVIN-UHFFFAOYSA-N 1 1 444.966 4.818 50 0 IJAAMO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000065363237 556834938 /nfs/dbraw/zinc/83/49/38/556834938.db2.gz FUBRKYUJDDCWNW-UHFFFAOYSA-N 1 1 446.555 4.508 50 0 IJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cccc(OC)c4)CC3)ccc21 ZINC000019773686 556913451 /nfs/dbraw/zinc/91/34/51/556913451.db2.gz PKGYFKYQGFCZFQ-UHFFFAOYSA-N 1 1 427.548 4.781 50 0 IJAAMO CCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000097002011 556978598 /nfs/dbraw/zinc/97/85/98/556978598.db2.gz OWGSHFKIGNGORT-UHFFFAOYSA-N 1 1 434.556 4.929 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046076 556979619 /nfs/dbraw/zinc/97/96/19/556979619.db2.gz YVPCDJJNWZBXTP-RTWAWAEBSA-N 1 1 432.927 4.783 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046076 556979622 /nfs/dbraw/zinc/97/96/22/556979622.db2.gz YVPCDJJNWZBXTP-RTWAWAEBSA-N 1 1 432.927 4.783 50 0 IJAAMO CN(Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211711 556998565 /nfs/dbraw/zinc/99/85/65/556998565.db2.gz NCZBVBRBLDZVJF-HXUWFJFHSA-N 1 1 429.033 4.974 50 0 IJAAMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1(c2cccs2)CCOCC1 ZINC000017178345 557037845 /nfs/dbraw/zinc/03/78/45/557037845.db2.gz ASYUTLPMGPEUIX-UHFFFAOYSA-N 1 1 446.616 4.730 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181754 557045870 /nfs/dbraw/zinc/04/58/70/557045870.db2.gz QGFLNGCVAWSCID-CJFMBICVSA-N 1 1 449.620 4.747 50 0 IJAAMO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022923196 557047908 /nfs/dbraw/zinc/04/79/08/557047908.db2.gz XCKCKKXKQWRSQK-JOCHJYFZSA-N 1 1 435.656 4.932 50 0 IJAAMO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000023130581 557066700 /nfs/dbraw/zinc/06/67/00/557066700.db2.gz IMKWRHRDBSRHFF-UHFFFAOYSA-N 1 1 441.576 4.967 50 0 IJAAMO C[NH+](C)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000023174858 557070538 /nfs/dbraw/zinc/07/05/38/557070538.db2.gz CEGHYZGRNAHEGM-JOCHJYFZSA-N 1 1 448.954 4.878 50 0 IJAAMO CC(C)N1CCC([NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000023338121 557085281 /nfs/dbraw/zinc/08/52/81/557085281.db2.gz VABWDZYUFRDIDI-UHFFFAOYSA-N 1 1 448.051 4.728 50 0 IJAAMO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024924995 557179501 /nfs/dbraw/zinc/17/95/01/557179501.db2.gz NKWHDUQKZIRZMP-GOSISDBHSA-N 1 1 444.362 4.972 50 0 IJAAMO CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn32)CC1 ZINC000096290086 557194384 /nfs/dbraw/zinc/19/43/84/557194384.db2.gz RESAIYXPRQEJJM-UHFFFAOYSA-N 1 1 438.575 4.949 50 0 IJAAMO Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000096766512 557204753 /nfs/dbraw/zinc/20/47/53/557204753.db2.gz GGQDQYJIGOJBEG-UHFFFAOYSA-N 1 1 435.934 4.819 50 0 IJAAMO COc1ccc2c(c1)c(CC[NH+]1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl ZINC000026381513 557240210 /nfs/dbraw/zinc/24/02/10/557240210.db2.gz FSFZRNZSZYDVLI-UHFFFAOYSA-N 1 1 447.362 4.828 50 0 in-vitro IJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000100155049 557244010 /nfs/dbraw/zinc/24/40/10/557244010.db2.gz HBJSJJPYDZPGDI-OAQYLSRUSA-N 1 1 449.576 4.597 50 0 IJAAMO O=C(NC1CC1)[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000084544627 557309912 /nfs/dbraw/zinc/30/99/12/557309912.db2.gz POCANYUJMUGOJT-MHZLTWQESA-N 1 1 436.559 4.708 50 0 IJAAMO COC(=O)c1ccc2c(c1)nc(C[N@H+](CCc1ccccc1)Cc1ccc(C)s1)[nH]c2=O ZINC000032759819 557315288 /nfs/dbraw/zinc/31/52/88/557315288.db2.gz SCKLSKJFSQZECN-UHFFFAOYSA-N 1 1 447.560 4.737 50 0 IJAAMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](CCc1ccccc1)Cc1ccc(C)s1)[nH]c2=O ZINC000032759819 557315292 /nfs/dbraw/zinc/31/52/92/557315292.db2.gz SCKLSKJFSQZECN-UHFFFAOYSA-N 1 1 447.560 4.737 50 0 IJAAMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c1 ZINC000601014387 557629740 /nfs/dbraw/zinc/62/97/40/557629740.db2.gz HFTTVOUMAUUDGI-UODIDJSMSA-N 1 1 440.543 4.931 50 0 IJAAMO CCOCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590234 562951532 /nfs/dbraw/zinc/95/15/32/562951532.db2.gz NICYXEQBZGHBJY-HXUWFJFHSA-N 1 1 446.661 4.730 50 0 IJAAMO C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288909 563024379 /nfs/dbraw/zinc/02/43/79/563024379.db2.gz OPSSRDBGRZEICH-GAJHUEQPSA-N 1 1 443.613 4.559 50 0 IJAAMO C[C@@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015948 563143016 /nfs/dbraw/zinc/14/30/16/563143016.db2.gz NMEGQXPTZNDYOB-AUSIDOKSSA-N 1 1 426.630 4.632 50 0 IJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982564 568623073 /nfs/dbraw/zinc/62/30/73/568623073.db2.gz NJSNTGVKUMOAHD-LOSJGSFVSA-N 1 1 434.967 4.939 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984752 568623486 /nfs/dbraw/zinc/62/34/86/568623486.db2.gz ARVIHJOVPBUPGR-NHCUHLMSSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984752 568623488 /nfs/dbraw/zinc/62/34/88/568623488.db2.gz ARVIHJOVPBUPGR-NHCUHLMSSA-N 1 1 448.966 4.650 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2noc3c2CCc2sccc2-3)o1 ZINC000015733306 568815584 /nfs/dbraw/zinc/81/55/84/568815584.db2.gz QGOAXCIHGUVPCH-HNNXBMFYSA-N 1 1 425.554 4.789 50 0 IJAAMO COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000015823458 568840215 /nfs/dbraw/zinc/84/02/15/568840215.db2.gz YVXIDASZQHXOQN-UHFFFAOYSA-N 1 1 426.460 4.572 50 0 IJAAMO COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@H+](C(C)C)C2 ZINC000015823458 568840217 /nfs/dbraw/zinc/84/02/17/568840217.db2.gz YVXIDASZQHXOQN-UHFFFAOYSA-N 1 1 426.460 4.572 50 0 IJAAMO O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026416879 568877477 /nfs/dbraw/zinc/87/74/77/568877477.db2.gz VKCKOLUTBBOKAC-UHFFFAOYSA-N 1 1 433.552 4.848 50 0 IJAAMO O=C(CCc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013003957 568898796 /nfs/dbraw/zinc/89/87/96/568898796.db2.gz SWROBEWNUNKJBA-UHFFFAOYSA-N 1 1 447.526 4.982 50 0 IJAAMO Cc1ccc(C)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC3CC3)co2)c1 ZINC000036065670 568945356 /nfs/dbraw/zinc/94/53/56/568945356.db2.gz FMALIUIXGRTKGI-UHFFFAOYSA-N 1 1 442.563 4.910 50 0 IJAAMO Cc1ccc(C)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC3CC3)co2)c1 ZINC000036065670 568945357 /nfs/dbraw/zinc/94/53/57/568945357.db2.gz FMALIUIXGRTKGI-UHFFFAOYSA-N 1 1 442.563 4.910 50 0 IJAAMO CCc1ccc(-c2nc3sc(N4CC[NH+](CC)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746060 568949315 /nfs/dbraw/zinc/94/93/15/568949315.db2.gz YAPIAZAOAGLNNM-UHFFFAOYSA-N 1 1 438.645 4.907 50 0 IJAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc(C)[nH+]1 ZINC000064801731 568961561 /nfs/dbraw/zinc/96/15/61/568961561.db2.gz OOBCYWSLJOAGOT-UHFFFAOYSA-N 1 1 433.537 4.914 50 0 IJAAMO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206594 568973059 /nfs/dbraw/zinc/97/30/59/568973059.db2.gz NPYDZYQSRNQMPA-KRWDZBQOSA-N 1 1 443.613 4.669 50 0 IJAAMO CCC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206594 568973062 /nfs/dbraw/zinc/97/30/62/568973062.db2.gz NPYDZYQSRNQMPA-KRWDZBQOSA-N 1 1 443.613 4.669 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000169678893 568990271 /nfs/dbraw/zinc/99/02/71/568990271.db2.gz CWORZVIZMQYQTM-NZQKXSOJSA-N 1 1 437.584 4.971 50 0 IJAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301550 568993057 /nfs/dbraw/zinc/99/30/57/568993057.db2.gz JEEJIWCYJYXFRJ-JOCHJYFZSA-N 1 1 437.584 4.876 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036302963 568993505 /nfs/dbraw/zinc/99/35/05/568993505.db2.gz FEASKKKMLHQQQW-QFIPXVFZSA-N 1 1 435.568 4.589 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036302963 568993509 /nfs/dbraw/zinc/99/35/09/568993509.db2.gz FEASKKKMLHQQQW-QFIPXVFZSA-N 1 1 435.568 4.589 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304942 568994808 /nfs/dbraw/zinc/99/48/08/568994808.db2.gz KLLDYWPQWRMQCE-DEOSSOPVSA-N 1 1 449.595 4.891 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036308453 568996314 /nfs/dbraw/zinc/99/63/14/568996314.db2.gz FIYYNRJDMNSSCL-DEOSSOPVSA-N 1 1 449.595 4.971 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036308453 568996317 /nfs/dbraw/zinc/99/63/17/568996317.db2.gz FIYYNRJDMNSSCL-DEOSSOPVSA-N 1 1 449.595 4.971 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036341693 569078906 /nfs/dbraw/zinc/07/89/06/569078906.db2.gz LIVJAOYXZVYAQJ-VWLOTQADSA-N 1 1 449.595 4.730 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000036340935 569079216 /nfs/dbraw/zinc/07/92/16/569079216.db2.gz JYMMBMNLYANFMC-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000036340935 569079217 /nfs/dbraw/zinc/07/92/17/569079217.db2.gz JYMMBMNLYANFMC-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@@H]2C)[C@H](c2ccccc2Cl)C1 ZINC000036343923 569079923 /nfs/dbraw/zinc/07/99/23/569079923.db2.gz MDYUVQJJKIKMAP-JTSKRJEESA-N 1 1 425.960 4.901 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036346073 569080855 /nfs/dbraw/zinc/08/08/55/569080855.db2.gz CXHJABNEQJKBIG-NRFANRHFSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346143 569081127 /nfs/dbraw/zinc/08/11/27/569081127.db2.gz FNWMSIQXKACRAK-QHCPKHFHSA-N 1 1 437.584 4.891 50 0 IJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346143 569081129 /nfs/dbraw/zinc/08/11/29/569081129.db2.gz FNWMSIQXKACRAK-QHCPKHFHSA-N 1 1 437.584 4.891 50 0 IJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+](Cc3ccco3)[C@@H](C)CC)c21 ZINC000007001345 569117521 /nfs/dbraw/zinc/11/75/21/569117521.db2.gz NXPQWBPLXYQTBB-HNNXBMFYSA-N 1 1 428.533 4.712 50 0 IJAAMO C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891057 569165550 /nfs/dbraw/zinc/16/55/50/569165550.db2.gz MDSPCNBGPIXHTP-SBUREZEXSA-N 1 1 441.547 4.708 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CCCc4ccccc4)CC3)n2)cc1 ZINC000017042551 569171649 /nfs/dbraw/zinc/17/16/49/569171649.db2.gz LQTMQHCDAGYYSV-UHFFFAOYSA-N 1 1 429.568 4.509 50 0 IJAAMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002107936 569177220 /nfs/dbraw/zinc/17/72/20/569177220.db2.gz ZEJRMEFSBLSGKA-BKGQASBDSA-N 1 1 441.999 4.714 50 0 IJAAMO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711474 569189618 /nfs/dbraw/zinc/18/96/18/569189618.db2.gz SNFFDNCEKXOAHT-SXOMAYOGSA-N 1 1 442.603 4.968 50 0 IJAAMO COc1ccc(C[C@H]2c3cc(OC)c(OC(=O)c4ccccc4)cc3CC[N@@H+]2C)cc1OC ZINC000019910093 569257096 /nfs/dbraw/zinc/25/70/96/569257096.db2.gz LMIHIXIVXAJHEY-QFIPXVFZSA-N 1 1 447.531 4.703 50 0 IJAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2ccc(NC(C)=O)c(OC)c2)c1 ZINC000079073090 569324598 /nfs/dbraw/zinc/32/45/98/569324598.db2.gz RRBHNPGPFXLOCX-UHFFFAOYSA-N 1 1 426.561 4.597 50 0 IJAAMO CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191001 569328029 /nfs/dbraw/zinc/32/80/29/569328029.db2.gz LQBJNUPRUZXMRP-YSIASYRMSA-N 1 1 439.427 4.886 50 0 biogenic IJAAMO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405889 569364536 /nfs/dbraw/zinc/36/45/36/569364536.db2.gz UFYYIVLOCRFPAZ-ZCYQVOJMSA-N 1 1 445.588 4.817 50 0 IJAAMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405890 569364597 /nfs/dbraw/zinc/36/45/97/569364597.db2.gz UFYYIVLOCRFPAZ-UKILVPOCSA-N 1 1 445.588 4.817 50 0 IJAAMO Cc1ncc(C[NH+]2CCSCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116502 569383761 /nfs/dbraw/zinc/38/37/61/569383761.db2.gz ZQSKIIXZFXDEDA-UHFFFAOYSA-N 1 1 432.545 4.947 50 0 biogenic IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002915174 569425073 /nfs/dbraw/zinc/42/50/73/569425073.db2.gz IZONCLVGACSPIE-LOSJGSFVSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000057381126 569432805 /nfs/dbraw/zinc/43/28/05/569432805.db2.gz QEUDAGRMVFDVLN-DLBZAZTESA-N 1 1 435.499 4.764 50 0 IJAAMO CCOc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc(OCC)c1OCC ZINC000003181149 569441335 /nfs/dbraw/zinc/44/13/35/569441335.db2.gz JXMSIDPGTLUYCH-IFMALSPDSA-N 1 1 438.568 4.639 50 0 IJAAMO COc1ccccc1OCCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC000003378116 569448668 /nfs/dbraw/zinc/44/86/68/569448668.db2.gz JSHXPSDSKRIGLC-UHFFFAOYSA-N 1 1 438.597 4.665 50 0 IJAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546487 569463597 /nfs/dbraw/zinc/46/35/97/569463597.db2.gz KRLWRPKOZPLEFE-HSZRJFAPSA-N 1 1 435.593 4.809 50 0 IJAAMO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[N@@H+](C(C)C)C2 ZINC000008793086 569476353 /nfs/dbraw/zinc/47/63/53/569476353.db2.gz KXESKPWYYDQEGL-UHFFFAOYSA-N 1 1 427.353 4.860 50 0 IJAAMO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[N@H+](C(C)C)C2 ZINC000008793086 569476354 /nfs/dbraw/zinc/47/63/54/569476354.db2.gz KXESKPWYYDQEGL-UHFFFAOYSA-N 1 1 427.353 4.860 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)CCCn1cnc2ccccc2c1=O)C1CCCCC1 ZINC000040040629 569483503 /nfs/dbraw/zinc/48/35/03/569483503.db2.gz SOQJUQXJXINAJX-UHFFFAOYSA-N 1 1 432.568 4.580 50 0 IJAAMO Cc1noc(-c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000040050210 569484139 /nfs/dbraw/zinc/48/41/39/569484139.db2.gz LAAGZFORGWEARU-UHFFFAOYSA-N 1 1 438.531 4.592 50 0 IJAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cn1 ZINC000040156081 569494016 /nfs/dbraw/zinc/49/40/16/569494016.db2.gz LWNCUFCFPAWSLF-UHFFFAOYSA-N 1 1 432.911 4.738 50 0 IJAAMO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1 ZINC000009065186 569499706 /nfs/dbraw/zinc/49/97/06/569499706.db2.gz NRJAQTVOJFVTQB-FQEVSTJZSA-N 1 1 437.521 4.602 50 0 IJAAMO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1 ZINC000009065186 569499707 /nfs/dbraw/zinc/49/97/07/569499707.db2.gz NRJAQTVOJFVTQB-FQEVSTJZSA-N 1 1 437.521 4.602 50 0 IJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245279964 569501990 /nfs/dbraw/zinc/50/19/90/569501990.db2.gz LDSOTLYOWRTZTJ-ISKFKSNPSA-N 1 1 435.568 4.725 50 0 IJAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245279964 569501991 /nfs/dbraw/zinc/50/19/91/569501991.db2.gz LDSOTLYOWRTZTJ-ISKFKSNPSA-N 1 1 435.568 4.725 50 0 IJAAMO Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000069601326 569509095 /nfs/dbraw/zinc/50/90/95/569509095.db2.gz QOXZNXZHEDBRHL-UHFFFAOYSA-N 1 1 441.510 4.525 50 0 IJAAMO CC(C)Cn1cc(NC(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)c2ccccc2c1=O ZINC000009227576 569513492 /nfs/dbraw/zinc/51/34/92/569513492.db2.gz VNSNMHUGHZJXSR-UHFFFAOYSA-N 1 1 434.584 4.690 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293544 569520265 /nfs/dbraw/zinc/52/02/65/569520265.db2.gz KQGFMGGWTVMSPE-XZOQPEGZSA-N 1 1 427.895 4.848 50 0 IJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000069967582 569525898 /nfs/dbraw/zinc/52/58/98/569525898.db2.gz KPPAFTALDVNMFT-GOSISDBHSA-N 1 1 447.604 4.892 50 0 IJAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002335224 132252487 /nfs/dbraw/zinc/25/24/87/132252487.db2.gz QKZIFPMSEULUFJ-UHFFFAOYSA-N 1 1 445.592 4.510 50 0 IJAAMO CC[NH+]1CCN(c2nc(SC)nc3c4c5c(c(CC(C)C)nc4sc32)CCC5)CC1 ZINC000009210529 132308887 /nfs/dbraw/zinc/30/88/87/132308887.db2.gz CGKJIMNBQMJNSP-UHFFFAOYSA-N 1 1 441.670 4.791 50 0 IJAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccn2-c2nccs2)CC1 ZINC000012473613 520457738 /nfs/dbraw/zinc/45/77/38/520457738.db2.gz ATXKMDGZHMWWLQ-UHFFFAOYSA-N 1 1 439.581 4.548 50 0 IJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@H](c3cccs3)c3ccc(C)cc3)cc2)CC1 ZINC000012516154 521698659 /nfs/dbraw/zinc/69/86/59/521698659.db2.gz FTBQSHZOTJSVTD-SANMLTNESA-N 1 1 448.636 4.516 50 0 IJAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910550 521794446 /nfs/dbraw/zinc/79/44/46/521794446.db2.gz MSOLISBGNSUKRX-OAQYLSRUSA-N 1 1 425.523 4.695 50 0 IJAAMO CC[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012649200 522229318 /nfs/dbraw/zinc/22/93/18/522229318.db2.gz NBRNEBZSLMEYFA-CYBMUJFWSA-N 1 1 444.384 4.511 50 0 IJAAMO COC[C@@H]1CCC[N@H+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)C1 ZINC000012190596 522453725 /nfs/dbraw/zinc/45/37/25/522453725.db2.gz DPIYIJNNVZNFTE-JOCHJYFZSA-N 1 1 435.612 4.883 50 0 IJAAMO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccccc1N1CCCC1 ZINC000012700339 522508623 /nfs/dbraw/zinc/50/86/23/522508623.db2.gz XCWUYMCDSNWIDG-UHFFFAOYSA-N 1 1 435.568 4.789 50 0 IJAAMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccccc1N1CCCC1 ZINC000012700339 522508634 /nfs/dbraw/zinc/50/86/34/522508634.db2.gz XCWUYMCDSNWIDG-UHFFFAOYSA-N 1 1 435.568 4.789 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012582165 522820599 /nfs/dbraw/zinc/82/05/99/522820599.db2.gz OHONSTAIOAERGI-LJQANCHMSA-N 1 1 427.541 4.595 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012582165 522820609 /nfs/dbraw/zinc/82/06/09/522820609.db2.gz OHONSTAIOAERGI-LJQANCHMSA-N 1 1 427.541 4.595 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1ccccc1F ZINC000012373558 523117991 /nfs/dbraw/zinc/11/79/91/523117991.db2.gz UTHPJHWGKYLLID-LJQANCHMSA-N 1 1 436.493 4.800 50 0 IJAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH]nc2c1CCCC2 ZINC000012439849 523486142 /nfs/dbraw/zinc/48/61/42/523486142.db2.gz HMWCLRFMZHRHGB-UHFFFAOYSA-N 1 1 441.535 4.502 50 0 IJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH]nc2c1CCCC2 ZINC000012439849 523486149 /nfs/dbraw/zinc/48/61/49/523486149.db2.gz HMWCLRFMZHRHGB-UHFFFAOYSA-N 1 1 441.535 4.502 50 0 IJAAMO COCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844850 523645289 /nfs/dbraw/zinc/64/52/89/523645289.db2.gz XZMZYQGAVDPYDK-UHFFFAOYSA-N 1 1 448.607 4.925 50 0 IJAAMO COCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844850 523645291 /nfs/dbraw/zinc/64/52/91/523645291.db2.gz XZMZYQGAVDPYDK-UHFFFAOYSA-N 1 1 448.607 4.925 50 0 IJAAMO CCc1ccc([C@@H]2CC[C@H](C(=O)NCCc3ccccn3)C[N@H+]2Cc2ccccc2)cc1 ZINC000034711310 524039152 /nfs/dbraw/zinc/03/91/52/524039152.db2.gz WWLZOMDILIOIIC-BDYUSTAISA-N 1 1 427.592 4.956 50 0 IJAAMO COc1ccc(C[NH2+][C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1OC ZINC000012795583 524090836 /nfs/dbraw/zinc/09/08/36/524090836.db2.gz RSKZMIHIBXQZJU-GFCCVEGCSA-N 1 1 427.551 4.581 50 0 IJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)C1 ZINC000021916085 524223385 /nfs/dbraw/zinc/22/33/85/524223385.db2.gz ACNHLCFRGZDDDA-OAQYLSRUSA-N 1 1 448.611 4.913 50 0 IJAAMO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000012342380 524279518 /nfs/dbraw/zinc/27/95/18/524279518.db2.gz VKDUGJXFNQIFII-JOCHJYFZSA-N 1 1 447.604 4.528 50 0 IJAAMO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000012342380 524279527 /nfs/dbraw/zinc/27/95/27/524279527.db2.gz VKDUGJXFNQIFII-JOCHJYFZSA-N 1 1 447.604 4.528 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)c(C)c1 ZINC000012373473 524484906 /nfs/dbraw/zinc/48/49/06/524484906.db2.gz MWUZHOTUUCSPPO-OAQYLSRUSA-N 1 1 432.568 4.820 50 0 IJAAMO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000034733413 524619144 /nfs/dbraw/zinc/61/91/44/524619144.db2.gz QXHVHMWXSJTFEW-GOTSBHOMSA-N 1 1 430.548 4.948 50 0 IJAAMO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(C3CC3)[nH]n2)C2CCCC2)CC1 ZINC000012304720 525109067 /nfs/dbraw/zinc/10/90/67/525109067.db2.gz YBZSEBIITXUZNW-UHFFFAOYSA-N 1 1 434.628 4.935 50 0 IJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000012737723 525407711 /nfs/dbraw/zinc/40/77/11/525407711.db2.gz HEZISJXIILNVJO-HXUWFJFHSA-N 1 1 448.510 4.539 50 0 IJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762141 525408065 /nfs/dbraw/zinc/40/80/65/525408065.db2.gz DFRYKEXPDOPMOQ-HXUWFJFHSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762141 525408074 /nfs/dbraw/zinc/40/80/74/525408074.db2.gz DFRYKEXPDOPMOQ-HXUWFJFHSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc2c(CN3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc(=O)oc2c1 ZINC000022830514 525500567 /nfs/dbraw/zinc/50/05/67/525500567.db2.gz AGCINEATXJKWDF-UHFFFAOYSA-N 1 1 446.469 4.528 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1)NCc1ccccc1Cl ZINC000012456381 526554096 /nfs/dbraw/zinc/55/40/96/526554096.db2.gz OTQMNUMGWGVYEP-FQEVSTJZSA-N 1 1 436.987 4.834 50 0 IJAAMO O=C1C[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000012376376 527018652 /nfs/dbraw/zinc/01/86/52/527018652.db2.gz IBFGYAGBYFIGTB-JOCHJYFZSA-N 1 1 449.348 4.783 50 0 IJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cc4c(cc3Cl)OCO4)[N@@H+]3CCC[C@@]123 ZINC000012094538 527037568 /nfs/dbraw/zinc/03/75/68/527037568.db2.gz CNWGMFAKTIIFIJ-FOMLIJIXSA-N 1 1 445.346 4.660 50 0 IJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cc4c(cc3Cl)OCO4)[N@H+]3CCC[C@@]123 ZINC000012094538 527037574 /nfs/dbraw/zinc/03/75/74/527037574.db2.gz CNWGMFAKTIIFIJ-FOMLIJIXSA-N 1 1 445.346 4.660 50 0 IJAAMO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000001229307 555686314 /nfs/dbraw/zinc/68/63/14/555686314.db2.gz NSMUNGHDDAXRJZ-UHFFFAOYSA-N 1 1 443.154 4.834 50 0 IJAAMO CC(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)cc1 ZINC000034678066 555796462 /nfs/dbraw/zinc/79/64/62/555796462.db2.gz RRJHRLPFAXECOF-UHFFFAOYSA-N 1 1 436.531 4.507 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)c1 ZINC000002916805 555862865 /nfs/dbraw/zinc/86/28/65/555862865.db2.gz QIXOQKNKXURJFO-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)s2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740531 555883605 /nfs/dbraw/zinc/88/36/05/555883605.db2.gz FREXFTFKRLNKLL-REWPJTCUSA-N 1 1 432.605 4.542 50 0 IJAAMO O=C1C[C@@H]([NH+]2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000009287942 556272494 /nfs/dbraw/zinc/27/24/94/556272494.db2.gz CMRPYUAFIZDBOK-OAQYLSRUSA-N 1 1 432.898 4.595 50 0 IJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000013811565 556312632 /nfs/dbraw/zinc/31/26/32/556312632.db2.gz JSWPRIAHPPABAV-ILBGXUMGSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664049 556344799 /nfs/dbraw/zinc/34/47/99/556344799.db2.gz KSGLVRJMXPOYNE-INIZCTEOSA-N 1 1 426.948 4.856 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664049 556344803 /nfs/dbraw/zinc/34/48/03/556344803.db2.gz KSGLVRJMXPOYNE-INIZCTEOSA-N 1 1 426.948 4.856 50 0 IJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000011709598 556347575 /nfs/dbraw/zinc/34/75/75/556347575.db2.gz DENXAPPIZZNKCH-QFIPXVFZSA-N 1 1 447.579 4.987 50 0 IJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000011709598 556347581 /nfs/dbraw/zinc/34/75/81/556347581.db2.gz DENXAPPIZZNKCH-QFIPXVFZSA-N 1 1 447.579 4.987 50 0 IJAAMO C[C@H](CNC(=O)c1ccco1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000011790730 556355630 /nfs/dbraw/zinc/35/56/30/556355630.db2.gz TVPCXNSEAAALDG-LJQANCHMSA-N 1 1 429.520 4.657 50 0 IJAAMO O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011813297 556356360 /nfs/dbraw/zinc/35/63/60/556356360.db2.gz HQFLGVKXRRAHLP-NRFANRHFSA-N 1 1 446.060 4.784 50 0 IJAAMO O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813297 556356362 /nfs/dbraw/zinc/35/63/62/556356362.db2.gz HQFLGVKXRRAHLP-NRFANRHFSA-N 1 1 446.060 4.784 50 0 IJAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021013 556356826 /nfs/dbraw/zinc/35/68/26/556356826.db2.gz JDTUYOHEZLISHW-LJQANCHMSA-N 1 1 449.982 4.944 50 0 IJAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021013 556356829 /nfs/dbraw/zinc/35/68/29/556356829.db2.gz JDTUYOHEZLISHW-LJQANCHMSA-N 1 1 449.982 4.944 50 0 IJAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011821023 556362480 /nfs/dbraw/zinc/36/24/80/556362480.db2.gz GTQPSQQYDXYJFH-UAXHHORHSA-N 1 1 447.623 4.795 50 0 IJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OC)c(OC)c3Cl)C2)cc1 ZINC000011839058 556363745 /nfs/dbraw/zinc/36/37/45/556363745.db2.gz ZWVDSOUOUWTXLT-HXUWFJFHSA-N 1 1 447.019 4.752 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc(C2CC2)on1 ZINC000012022178 556387092 /nfs/dbraw/zinc/38/70/92/556387092.db2.gz ZYFYKPKLDQZLSB-QGZVFWFLSA-N 1 1 435.490 4.598 50 0 IJAAMO O=C(CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012057049 556394582 /nfs/dbraw/zinc/39/45/82/556394582.db2.gz MMLYJBALAYOSAR-BJKOFHAPSA-N 1 1 444.579 4.717 50 0 IJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c2ccccc2)cc1 ZINC000014239973 556400932 /nfs/dbraw/zinc/40/09/32/556400932.db2.gz ZICOERKKHJHPDU-MHZLTWQESA-N 1 1 440.547 4.815 50 0 IJAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cs1 ZINC000012200083 556402746 /nfs/dbraw/zinc/40/27/46/556402746.db2.gz RRRWGVVMWAFXFJ-UHFFFAOYSA-N 1 1 442.972 4.890 50 0 IJAAMO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000032622945 556410236 /nfs/dbraw/zinc/41/02/36/556410236.db2.gz SEKKIQJJMPCHJO-JOCHJYFZSA-N 1 1 439.943 4.961 50 0 IJAAMO COc1ccc(C[N@@H+](CC(=O)NCCc2ccc(F)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000013001914 556433672 /nfs/dbraw/zinc/43/36/72/556433672.db2.gz HHFKKUPWLWYWCV-LJQANCHMSA-N 1 1 440.584 4.688 50 0 IJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000014961986 556464323 /nfs/dbraw/zinc/46/43/23/556464323.db2.gz DLQHSZZPEQHEIB-KRWDZBQOSA-N 1 1 444.959 4.766 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c(C)c1 ZINC000014966327 556465833 /nfs/dbraw/zinc/46/58/33/556465833.db2.gz AKTQOZMXYXOHDQ-IBGZPJMESA-N 1 1 438.597 4.882 50 0 IJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000029145953 556468603 /nfs/dbraw/zinc/46/86/03/556468603.db2.gz SDTZYEQYPLXYEM-QHCPKHFHSA-N 1 1 439.987 4.663 50 0 IJAAMO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+](Cc2nc4ccccc4s2)CC3)cc1 ZINC000014995608 556477551 /nfs/dbraw/zinc/47/75/51/556477551.db2.gz KHFOZJNKLZVJBU-OAQYLSRUSA-N 1 1 449.620 4.744 50 0 IJAAMO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+](Cc2nc4ccccc4s2)CC3)cc1 ZINC000014995606 556477574 /nfs/dbraw/zinc/47/75/74/556477574.db2.gz KHFOZJNKLZVJBU-NRFANRHFSA-N 1 1 449.620 4.744 50 0 IJAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030629 556489040 /nfs/dbraw/zinc/48/90/40/556489040.db2.gz VKYJCQXWIBMZTM-HNNXBMFYSA-N 1 1 440.897 4.602 50 0 IJAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030629 556489043 /nfs/dbraw/zinc/48/90/43/556489043.db2.gz VKYJCQXWIBMZTM-HNNXBMFYSA-N 1 1 440.897 4.602 50 0 IJAAMO COc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000015946332 556567449 /nfs/dbraw/zinc/56/74/49/556567449.db2.gz KGZQGRZFBSIMRM-QGZVFWFLSA-N 1 1 436.375 4.715 50 0 IJAAMO COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000015947315 556567964 /nfs/dbraw/zinc/56/79/64/556567964.db2.gz KSIHBDUIWAKGBP-OAQYLSRUSA-N 1 1 433.533 4.522 50 0 IJAAMO COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000015947315 556567966 /nfs/dbraw/zinc/56/79/66/556567966.db2.gz KSIHBDUIWAKGBP-OAQYLSRUSA-N 1 1 433.533 4.522 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000015947175 556568100 /nfs/dbraw/zinc/56/81/00/556568100.db2.gz RRMJACAZYSLNFX-OAQYLSRUSA-N 1 1 433.533 4.774 50 0 IJAAMO COc1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000016345782 556601363 /nfs/dbraw/zinc/60/13/63/556601363.db2.gz QRLOLPCWRMNSNF-UHFFFAOYSA-N 1 1 431.536 4.643 50 0 IJAAMO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000017096162 556660011 /nfs/dbraw/zinc/66/00/11/556660011.db2.gz VAZBSPGTLKUCMW-UHFFFAOYSA-N 1 1 428.747 4.660 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1 ZINC000042925917 556660073 /nfs/dbraw/zinc/66/00/73/556660073.db2.gz GZXDVXDZPIZBFB-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1 ZINC000042925914 556660130 /nfs/dbraw/zinc/66/01/30/556660130.db2.gz GZXDVXDZPIZBFB-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220131 556687669 /nfs/dbraw/zinc/68/76/69/556687669.db2.gz PZODSESFAZEWNZ-DEOSSOPVSA-N 1 1 438.543 4.591 50 0 IJAAMO CCc1ccc(C[N@H+](C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)cc1 ZINC000055036327 556732399 /nfs/dbraw/zinc/73/23/99/556732399.db2.gz WRVNSSHPXSSFGY-UHFFFAOYSA-N 1 1 426.564 4.801 50 0 IJAAMO CCc1ccc(C[N@@H+](C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)cc1 ZINC000055036327 556732401 /nfs/dbraw/zinc/73/24/01/556732401.db2.gz WRVNSSHPXSSFGY-UHFFFAOYSA-N 1 1 426.564 4.801 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000058218455 556773205 /nfs/dbraw/zinc/77/32/05/556773205.db2.gz OXFFWMLPNFLTPL-QHCPKHFHSA-N 1 1 429.568 4.858 50 0 IJAAMO CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726022 556803417 /nfs/dbraw/zinc/80/34/17/556803417.db2.gz HRQUWEDKYDUERH-LJQANCHMSA-N 1 1 444.004 4.973 50 0 IJAAMO COc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019646482 556840508 /nfs/dbraw/zinc/84/05/08/556840508.db2.gz OUTSTXGLOZDZJL-UHFFFAOYSA-N 1 1 447.604 4.808 50 0 IJAAMO COc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000036370355 556902052 /nfs/dbraw/zinc/90/20/52/556902052.db2.gz SGMYNLMLMIQHEA-UHFFFAOYSA-N 1 1 441.506 4.940 50 0 IJAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000019773620 556913504 /nfs/dbraw/zinc/91/35/04/556913504.db2.gz OTRBSIDYEYWZGG-QHCPKHFHSA-N 1 1 431.580 4.742 50 0 IJAAMO COc1cc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc(OC)c1OC ZINC000019789348 556914531 /nfs/dbraw/zinc/91/45/31/556914531.db2.gz ADUDPKHUWLASOO-UHFFFAOYSA-N 1 1 448.563 4.823 50 0 IJAAMO COc1cc(-c2nc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)c(C)o2)cc2c1OCO2 ZINC000019790983 556914926 /nfs/dbraw/zinc/91/49/26/556914926.db2.gz JPIUMHPPBXMVOV-UHFFFAOYSA-N 1 1 440.471 4.570 50 0 IJAAMO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019831955 556927062 /nfs/dbraw/zinc/92/70/62/556927062.db2.gz AKVHOCABWUMSEQ-UHFFFAOYSA-N 1 1 427.548 4.637 50 0 IJAAMO Cc1nccn1CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020322267 557007668 /nfs/dbraw/zinc/00/76/68/557007668.db2.gz KHWDJNSZFTYNMI-UHFFFAOYSA-N 1 1 425.536 4.982 50 0 IJAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C1 ZINC000048289902 557054813 /nfs/dbraw/zinc/05/48/13/557054813.db2.gz SMFVDUHRTGKWKK-FQEVSTJZSA-N 1 1 432.568 4.608 50 0 IJAAMO Cc1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@H]2CCc3ccccc32)cc1 ZINC000048299568 557061683 /nfs/dbraw/zinc/06/16/83/557061683.db2.gz XIKJKXSWRLGDSI-SANMLTNESA-N 1 1 441.575 4.825 50 0 IJAAMO Cc1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@H]2CCc3ccccc32)cc1 ZINC000048299568 557061685 /nfs/dbraw/zinc/06/16/85/557061685.db2.gz XIKJKXSWRLGDSI-SANMLTNESA-N 1 1 441.575 4.825 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000033326795 557108650 /nfs/dbraw/zinc/10/86/50/557108650.db2.gz DPZFNIZTYLVGLI-UHFFFAOYSA-N 1 1 434.519 4.639 50 0 IJAAMO COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@@H]2C)c1 ZINC000085866985 557124542 /nfs/dbraw/zinc/12/45/42/557124542.db2.gz PRAKJIZVYUUZDJ-DZQVUDGASA-N 1 1 438.612 4.520 50 0 biogenic IJAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000025638250 557220266 /nfs/dbraw/zinc/22/02/66/557220266.db2.gz CFPSQKPIUQEGCO-UHFFFAOYSA-N 1 1 449.601 4.787 50 0 IJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023332168 557344236 /nfs/dbraw/zinc/34/42/36/557344236.db2.gz UPEKAQVYAWLTCM-HXUWFJFHSA-N 1 1 442.485 4.977 50 0 IJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023332168 557344238 /nfs/dbraw/zinc/34/42/38/557344238.db2.gz UPEKAQVYAWLTCM-HXUWFJFHSA-N 1 1 442.485 4.977 50 0 IJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023332168 557344240 /nfs/dbraw/zinc/34/42/40/557344240.db2.gz UPEKAQVYAWLTCM-HXUWFJFHSA-N 1 1 442.485 4.977 50 0 IJAAMO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)c1 ZINC000023332555 557345351 /nfs/dbraw/zinc/34/53/51/557345351.db2.gz LUICVCWXUHHHOC-SANMLTNESA-N 1 1 430.548 4.560 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479892 557542982 /nfs/dbraw/zinc/54/29/82/557542982.db2.gz POPRSSXUIMKIPQ-FGZHOGPDSA-N 1 1 446.954 4.807 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479892 557542984 /nfs/dbraw/zinc/54/29/84/557542984.db2.gz POPRSSXUIMKIPQ-FGZHOGPDSA-N 1 1 446.954 4.807 50 0 IJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000003281361 562933685 /nfs/dbraw/zinc/93/36/85/562933685.db2.gz OSPIDPFZYXYNBW-VQIMIIECSA-N 1 1 434.392 4.624 50 0 IJAAMO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000020193497 563023985 /nfs/dbraw/zinc/02/39/85/563023985.db2.gz ARWLDVFFXYMIPI-XMMPIXPASA-N 1 1 449.620 4.963 50 0 IJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000004063115 568760058 /nfs/dbraw/zinc/76/00/58/568760058.db2.gz HDWMZLOXEHLERX-KRWYSWARSA-N 1 1 430.633 4.696 50 0 biogenic IJAAMO COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000013008788 568899678 /nfs/dbraw/zinc/89/96/78/568899678.db2.gz MMCXOQXYBKJPIB-QHCPKHFHSA-N 1 1 449.526 4.927 50 0 IJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801813 568961555 /nfs/dbraw/zinc/96/15/55/568961555.db2.gz JVLULMXWOKNDAQ-UHFFFAOYSA-N 1 1 443.960 4.583 50 0 IJAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc(C)[nH+]1 ZINC000064802059 568961857 /nfs/dbraw/zinc/96/18/57/568961857.db2.gz BLSOAYIUWRSQOY-UHFFFAOYSA-N 1 1 425.558 4.686 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146354 568962439 /nfs/dbraw/zinc/96/24/39/568962439.db2.gz MQIMXLXJMULQLV-RTWAWAEBSA-N 1 1 448.966 4.508 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036156270 568965279 /nfs/dbraw/zinc/96/52/79/568965279.db2.gz XOJQBYCQKWNGMU-XMMPIXPASA-N 1 1 449.595 4.732 50 0 IJAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301547 568993107 /nfs/dbraw/zinc/99/31/07/568993107.db2.gz JEEJIWCYJYXFRJ-QFIPXVFZSA-N 1 1 437.584 4.876 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)CC)C1CC1 ZINC000036302777 568993649 /nfs/dbraw/zinc/99/36/49/568993649.db2.gz GIZKXXIOOSDHPZ-NRFANRHFSA-N 1 1 435.568 4.971 50 0 IJAAMO CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036313478 568998594 /nfs/dbraw/zinc/99/85/94/568998594.db2.gz OHHQKWSBKIDFGS-UHFFFAOYSA-N 1 1 446.595 4.782 50 0 IJAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313645 568998681 /nfs/dbraw/zinc/99/86/81/568998681.db2.gz GWOXUSQXRQCJML-JOCHJYFZSA-N 1 1 437.584 4.879 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000036341246 569079158 /nfs/dbraw/zinc/07/91/58/569079158.db2.gz FJCINNMBPZOFNU-RUZDIDTESA-N 1 1 435.568 4.646 50 0 IJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036344366 569080076 /nfs/dbraw/zinc/08/00/76/569080076.db2.gz LMQISMHSNJLWON-RUZDIDTESA-N 1 1 449.595 4.730 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346313 569081221 /nfs/dbraw/zinc/08/12/21/569081221.db2.gz VAIJRKUYJCVGPW-JOCHJYFZSA-N 1 1 441.547 4.720 50 0 IJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257924 569124153 /nfs/dbraw/zinc/12/41/53/569124153.db2.gz BILRZQQTQCJWRC-UHFFFAOYSA-N 1 1 445.489 4.986 50 0 IJAAMO CCN(C(=O)c1c(C)oc2c1C[N@H+](Cc1ccccc1)CC2)c1cc(OC)ccc1OC ZINC000065289671 569130513 /nfs/dbraw/zinc/13/05/13/569130513.db2.gz VEWWBUPVVVJWNA-UHFFFAOYSA-N 1 1 434.536 4.830 50 0 IJAAMO CCN(C(=O)c1c(C)oc2c1C[N@@H+](Cc1ccccc1)CC2)c1cc(OC)ccc1OC ZINC000065289671 569130515 /nfs/dbraw/zinc/13/05/15/569130515.db2.gz VEWWBUPVVVJWNA-UHFFFAOYSA-N 1 1 434.536 4.830 50 0 IJAAMO COc1ccc2cc3cc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)sc3nc2c1Cl ZINC000065330816 569137029 /nfs/dbraw/zinc/13/70/29/569137029.db2.gz FLVYWCBAOOFQJE-AWEZNQCLSA-N 1 1 431.989 4.963 50 0 IJAAMO Cc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)nc(N2CCCCC2)n1 ZINC000089599446 569159717 /nfs/dbraw/zinc/15/97/17/569159717.db2.gz ORHGOBADYXFANN-UHFFFAOYSA-N 1 1 438.579 4.918 50 0 IJAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000089702550 569161805 /nfs/dbraw/zinc/16/18/05/569161805.db2.gz KAYDJACMHYIYFE-HMXCVIKNSA-N 1 1 436.506 4.659 50 0 IJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012292 569170479 /nfs/dbraw/zinc/17/04/79/569170479.db2.gz GCYYEPMTBBFSCE-UHFFFAOYSA-N 1 1 429.568 4.789 50 0 IJAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711476 569189568 /nfs/dbraw/zinc/18/95/68/569189568.db2.gz SNFFDNCEKXOAHT-KAYWLYCHSA-N 1 1 442.603 4.968 50 0 IJAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380250 569191578 /nfs/dbraw/zinc/19/15/78/569191578.db2.gz TXYYZBRQTGMOAK-HXUWFJFHSA-N 1 1 429.486 4.873 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002308458 569272002 /nfs/dbraw/zinc/27/20/02/569272002.db2.gz KHNHWZMUOWMGQP-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000020383869 569362779 /nfs/dbraw/zinc/36/27/79/569362779.db2.gz QLLFPYXBZDQMDU-WOJBJXKFSA-N 1 1 428.646 4.510 50 0 IJAAMO COc1ccc(-c2nn(C[NH+](CC(C)C)CC(C)C)c(=S)n2C[C@H]2CCCO2)cc1 ZINC000003246229 569442723 /nfs/dbraw/zinc/44/27/23/569442723.db2.gz UVDWWRTXIIHZGY-OAQYLSRUSA-N 1 1 432.634 4.840 50 0 IJAAMO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)cc3)o2)c1 ZINC000030997460 569452177 /nfs/dbraw/zinc/45/21/77/569452177.db2.gz ZFMLXPMACZKHEZ-DEOSSOPVSA-N 1 1 438.531 4.841 50 0 IJAAMO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)cc3)o2)c1 ZINC000030997460 569452178 /nfs/dbraw/zinc/45/21/78/569452178.db2.gz ZFMLXPMACZKHEZ-DEOSSOPVSA-N 1 1 438.531 4.841 50 0 IJAAMO CCc1cc([C@@H](c2cccs2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546561 569463723 /nfs/dbraw/zinc/46/37/23/569463723.db2.gz SDGZEFQSTARUBX-FQEVSTJZSA-N 1 1 429.611 4.944 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293543 569520203 /nfs/dbraw/zinc/52/02/03/569520203.db2.gz KQGFMGGWTVMSPE-GOTSBHOMSA-N 1 1 427.895 4.848 50 0 IJAAMO C[NH+](C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000009603856 569551762 /nfs/dbraw/zinc/55/17/62/569551762.db2.gz IRICWJIRRXVOPO-UHFFFAOYSA-N 1 1 447.535 4.875 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000009847951 569571155 /nfs/dbraw/zinc/57/11/55/569571155.db2.gz WSKQHJLJHUHLDN-FQEVSTJZSA-N 1 1 437.613 4.635 50 0 IJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)nc2c(C)c1 ZINC000009848383 569571223 /nfs/dbraw/zinc/57/12/23/569571223.db2.gz SSWJWTWTDIUVOY-QHAWAJNXSA-N 1 1 442.673 4.899 50 0 IJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000013117081 132345069 /nfs/dbraw/zinc/34/50/69/132345069.db2.gz UIXIDZWOXQOVCY-NRFANRHFSA-N 1 1 445.563 4.775 50 0 IJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000013117081 132345072 /nfs/dbraw/zinc/34/50/72/132345072.db2.gz UIXIDZWOXQOVCY-NRFANRHFSA-N 1 1 445.563 4.775 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000021662887 519708078 /nfs/dbraw/zinc/70/80/78/519708078.db2.gz NXLBVOOVQGUKLW-IBGZPJMESA-N 1 1 444.579 4.855 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000012442319 520464911 /nfs/dbraw/zinc/46/49/11/520464911.db2.gz IRMMHDBWSQZDOS-UHFFFAOYSA-N 1 1 434.624 4.582 50 0 IJAAMO CCC(CC)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000012879745 521543228 /nfs/dbraw/zinc/54/32/28/521543228.db2.gz FVCDBNIRYJWHSJ-IBGZPJMESA-N 1 1 429.586 4.563 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)cc1 ZINC000012589472 521929128 /nfs/dbraw/zinc/92/91/28/521929128.db2.gz YZUYPRHMFSTVTH-SFHVURJKSA-N 1 1 438.499 4.867 50 0 IJAAMO CC[C@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000036048492 522434842 /nfs/dbraw/zinc/43/48/42/522434842.db2.gz VIKOHIFJIYWWHY-WIOPSUGQSA-N 1 1 439.600 4.598 50 0 IJAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012433289 522584614 /nfs/dbraw/zinc/58/46/14/522584614.db2.gz KRZNFDCOLWYTAJ-NRFANRHFSA-N 1 1 431.536 4.749 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c(OC)c1C ZINC000012440295 523201390 /nfs/dbraw/zinc/20/13/90/523201390.db2.gz AEIIIMFQKQCWHT-UHFFFAOYSA-N 1 1 432.524 4.793 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c(OC)c1C ZINC000012440295 523201399 /nfs/dbraw/zinc/20/13/99/523201399.db2.gz AEIIIMFQKQCWHT-UHFFFAOYSA-N 1 1 432.524 4.793 50 0 IJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4ccc(Cl)cc4)C3)n2)c(OC)c1OC ZINC000020777963 523287721 /nfs/dbraw/zinc/28/77/21/523287721.db2.gz QCVBKHFIMVZMTL-INIZCTEOSA-N 1 1 443.931 4.795 50 0 IJAAMO COc1ccc(/C=C/CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012156010 523404573 /nfs/dbraw/zinc/40/45/73/523404573.db2.gz ZKFHCRQVMVPCFG-LHXJMTLCSA-N 1 1 438.641 4.566 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1OC ZINC000042453729 524029499 /nfs/dbraw/zinc/02/94/99/524029499.db2.gz AADSFMLOWRTXDT-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)C2)cc1 ZINC000021934241 524466622 /nfs/dbraw/zinc/46/66/22/524466622.db2.gz LNUPALUJKFOLKV-QFIPXVFZSA-N 1 1 436.559 4.857 50 0 IJAAMO COc1ccccc1[C@H](CNC(=O)CCCSc1nc2ccccc2s1)[NH+](C)C ZINC000012737972 524789736 /nfs/dbraw/zinc/78/97/36/524789736.db2.gz FNJIOXMDXIKLHY-SFHVURJKSA-N 1 1 429.611 4.596 50 0 IJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnn(C(C)C)c4)C3)cc2)c1 ZINC000012207040 525713021 /nfs/dbraw/zinc/71/30/21/525713021.db2.gz VZHPQIXNLKUDII-HSZRJFAPSA-N 1 1 432.568 4.990 50 0 IJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000012696263 526193697 /nfs/dbraw/zinc/19/36/97/526193697.db2.gz UXYGMFTYLAESNQ-YJBOKZPZSA-N 1 1 444.906 4.664 50 0 IJAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1Br ZINC000012915606 526698998 /nfs/dbraw/zinc/69/89/98/526698998.db2.gz WKIKQTDKEUSCDT-UHFFFAOYSA-N 1 1 431.330 4.561 50 0 IJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000012466133 526729946 /nfs/dbraw/zinc/72/99/46/526729946.db2.gz CNCVHKZLGZMFSL-HXUWFJFHSA-N 1 1 437.506 4.746 50 0 IJAAMO O=C(Nc1ccc(Cl)c(Cl)c1)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020685587 527173559 /nfs/dbraw/zinc/17/35/59/527173559.db2.gz DDKSAIUWPFTCBG-UHFFFAOYSA-N 1 1 428.385 4.811 50 0 IJAAMO OCC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1 ZINC000020997775 527572190 /nfs/dbraw/zinc/57/21/90/527572190.db2.gz RCMFQYKOOWFHDV-NDEPHWFRSA-N 1 1 428.620 4.820 50 0 IJAAMO OCC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000020997775 527572192 /nfs/dbraw/zinc/57/21/92/527572192.db2.gz RCMFQYKOOWFHDV-NDEPHWFRSA-N 1 1 428.620 4.820 50 0 IJAAMO OCC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000020997775 527572197 /nfs/dbraw/zinc/57/21/97/527572197.db2.gz RCMFQYKOOWFHDV-NDEPHWFRSA-N 1 1 428.620 4.820 50 0 IJAAMO OCCn1c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc21 ZINC000012549681 527576596 /nfs/dbraw/zinc/57/65/96/527576596.db2.gz LYCZRLHZHQLHOM-HNNXBMFYSA-N 1 1 426.973 4.671 50 0 IJAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000034668203 555792382 /nfs/dbraw/zinc/79/23/82/555792382.db2.gz AGJUZNSKISAIFL-UHFFFAOYSA-N 1 1 449.982 4.601 50 0 IJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681594 555815005 /nfs/dbraw/zinc/81/50/05/555815005.db2.gz FYUIXRHPIRQODE-UHFFFAOYSA-N 1 1 446.498 4.736 50 0 IJAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034683671 555819114 /nfs/dbraw/zinc/81/91/14/555819114.db2.gz ZNFGWEVVVGYROJ-UHFFFAOYSA-N 1 1 448.947 4.932 50 0 IJAAMO COc1ccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683524 555819155 /nfs/dbraw/zinc/81/91/55/555819155.db2.gz HXHKIVCPSKPWIC-UHFFFAOYSA-N 1 1 444.547 4.505 50 0 IJAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034740825 555884126 /nfs/dbraw/zinc/88/41/26/555884126.db2.gz SVBWNJWVRAKOJD-WIOPSUGQSA-N 1 1 426.576 4.943 50 0 IJAAMO COc1cc(Br)c(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1OC ZINC000584904417 556120918 /nfs/dbraw/zinc/12/09/18/556120918.db2.gz RIZMQLCYQXOBMY-DENIHFKCSA-N 1 1 437.422 4.695 50 0 IJAAMO COc1cc(Br)c(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1OC ZINC000584904418 556121166 /nfs/dbraw/zinc/12/11/66/556121166.db2.gz RIZMQLCYQXOBMY-SIKLNZKXSA-N 1 1 437.422 4.695 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664050 556344812 /nfs/dbraw/zinc/34/48/12/556344812.db2.gz KSGLVRJMXPOYNE-MRXNPFEDSA-N 1 1 426.948 4.856 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664050 556344815 /nfs/dbraw/zinc/34/48/15/556344815.db2.gz KSGLVRJMXPOYNE-MRXNPFEDSA-N 1 1 426.948 4.856 50 0 IJAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348128 /nfs/dbraw/zinc/34/81/28/556348128.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 1 1 432.612 4.556 50 0 IJAAMO COCCN1CC[C@@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348142 /nfs/dbraw/zinc/34/81/42/556348142.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 1 1 432.612 4.556 50 0 IJAAMO COCCN1CC[C@@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348146 /nfs/dbraw/zinc/34/81/46/556348146.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 1 1 432.612 4.556 50 0 IJAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014093089 556365829 /nfs/dbraw/zinc/36/58/29/556365829.db2.gz FMHTYHLSMDWYJC-VWLOTQADSA-N 1 1 436.559 4.603 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccco1 ZINC000011913362 556375918 /nfs/dbraw/zinc/37/59/18/556375918.db2.gz SSUQYQIQAQRDSR-HNNXBMFYSA-N 1 1 427.526 4.693 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011934343 556377607 /nfs/dbraw/zinc/37/76/07/556377607.db2.gz GBRDIYHRTBWTSG-XMMPIXPASA-N 1 1 444.623 4.505 50 0 IJAAMO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053023 556392820 /nfs/dbraw/zinc/39/28/20/556392820.db2.gz DCQJHLKIVPUIMA-IBGZPJMESA-N 1 1 432.549 4.805 50 0 IJAAMO Cn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053023 556392823 /nfs/dbraw/zinc/39/28/23/556392823.db2.gz DCQJHLKIVPUIMA-IBGZPJMESA-N 1 1 432.549 4.805 50 0 IJAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000012054304 556393407 /nfs/dbraw/zinc/39/34/07/556393407.db2.gz AZHNMEUXHPDWIS-UHFFFAOYSA-N 1 1 434.989 4.690 50 0 IJAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012200917 556402727 /nfs/dbraw/zinc/40/27/27/556402727.db2.gz XXMJUUSHPZVINA-IBGZPJMESA-N 1 1 440.588 4.705 50 0 IJAAMO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)cc1OC ZINC000032622327 556409705 /nfs/dbraw/zinc/40/97/05/556409705.db2.gz GJYPDJNOWRYBRB-QFIPXVFZSA-N 1 1 449.551 4.624 50 0 IJAAMO CC[C@@H](C)C(=O)Nc1c2ccc(C[N@@H+](C)CCc3ccccc3)nc2sc1C(=O)OC ZINC000014882703 556454453 /nfs/dbraw/zinc/45/44/53/556454453.db2.gz FBNOCQPHIBAHGZ-MRXNPFEDSA-N 1 1 439.581 4.742 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1)NCc1ccccc1Cl ZINC000014948381 556459903 /nfs/dbraw/zinc/45/99/03/556459903.db2.gz LFJBQVZQGLGIBI-GOSISDBHSA-N 1 1 443.016 4.896 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000014978893 556470004 /nfs/dbraw/zinc/47/00/04/556470004.db2.gz QVOYDBZITHGKCH-SFHVURJKSA-N 1 1 430.976 4.666 50 0 IJAAMO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)[C@@H]2CCC[N@H+](C)C2)C4)s1 ZINC000014991009 556475034 /nfs/dbraw/zinc/47/50/34/556475034.db2.gz IRTIBLFLQOHNHL-UXHICEINSA-N 1 1 448.588 4.532 50 0 IJAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068568 556494239 /nfs/dbraw/zinc/49/42/39/556494239.db2.gz NJCJZONLOMGLHJ-LJQANCHMSA-N 1 1 432.593 4.508 50 0 IJAAMO CSc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068568 556494241 /nfs/dbraw/zinc/49/42/41/556494241.db2.gz NJCJZONLOMGLHJ-LJQANCHMSA-N 1 1 432.593 4.508 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(OC)c1 ZINC000015071787 556496672 /nfs/dbraw/zinc/49/66/72/556496672.db2.gz ZSPKKZSAECAZDP-LJQANCHMSA-N 1 1 436.552 4.759 50 0 IJAAMO Cc1ccc(OCC[N@@H+](C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)cc1 ZINC000015075067 556498839 /nfs/dbraw/zinc/49/88/39/556498839.db2.gz HISQHDKPLFWORY-UHFFFAOYSA-N 1 1 440.613 4.621 50 0 IJAAMO Cc1ccc(OCC[N@H+](C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)cc1 ZINC000015075067 556498841 /nfs/dbraw/zinc/49/88/41/556498841.db2.gz HISQHDKPLFWORY-UHFFFAOYSA-N 1 1 440.613 4.621 50 0 IJAAMO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000034864639 556584376 /nfs/dbraw/zinc/58/43/76/556584376.db2.gz NLQXWOAIDVRQDA-FXAWDEMLSA-N 1 1 429.429 4.706 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036344377 556597009 /nfs/dbraw/zinc/59/70/09/556597009.db2.gz XETKOFQJZVPXEV-VWLOTQADSA-N 1 1 449.595 4.730 50 0 IJAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000252511564 556691553 /nfs/dbraw/zinc/69/15/53/556691553.db2.gz HZHFQRYOWFJABM-IRXDYDNUSA-N 1 1 433.321 4.737 50 0 IJAAMO COc1ccc(N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000013571496 556698784 /nfs/dbraw/zinc/69/87/84/556698784.db2.gz UYZXPQOEHKNFNJ-GPJOFLJCSA-N 1 1 434.536 4.509 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013592180 556701183 /nfs/dbraw/zinc/70/11/83/556701183.db2.gz WAAAXVMBZZKAGF-TUGCOKMYSA-N 1 1 443.934 4.643 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000019223082 556716171 /nfs/dbraw/zinc/71/61/71/556716171.db2.gz DRUYIXXZSAQABU-QGZVFWFLSA-N 1 1 441.915 4.608 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000019223082 556716173 /nfs/dbraw/zinc/71/61/73/556716173.db2.gz DRUYIXXZSAQABU-QGZVFWFLSA-N 1 1 441.915 4.608 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000055073778 556734056 /nfs/dbraw/zinc/73/40/56/556734056.db2.gz ZUHDYWSQTJMHTL-FQEVSTJZSA-N 1 1 448.592 4.725 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000055073778 556734057 /nfs/dbraw/zinc/73/40/57/556734057.db2.gz ZUHDYWSQTJMHTL-FQEVSTJZSA-N 1 1 448.592 4.725 50 0 IJAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734682 /nfs/dbraw/zinc/73/46/82/556734682.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1cc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734685 /nfs/dbraw/zinc/73/46/85/556734685.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734686 /nfs/dbraw/zinc/73/46/86/556734686.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160615 556764565 /nfs/dbraw/zinc/76/45/65/556764565.db2.gz RELUVUUCVNJDQH-VWLOTQADSA-N 1 1 443.547 4.726 50 0 IJAAMO COc1c(C)c[nH+]c(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)c1C ZINC000033050396 556799436 /nfs/dbraw/zinc/79/94/36/556799436.db2.gz GQOPANVLKYZTPV-UHFFFAOYSA-N 1 1 446.576 4.860 50 0 IJAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000019789699 556914551 /nfs/dbraw/zinc/91/45/51/556914551.db2.gz PJHPHNKOJAGOGU-UHFFFAOYSA-N 1 1 428.598 4.636 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@H+]1CC[C@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838627 556928838 /nfs/dbraw/zinc/92/88/38/556928838.db2.gz SBRZOABCDOZADF-INIZCTEOSA-N 1 1 428.989 4.665 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838627 556928841 /nfs/dbraw/zinc/92/88/41/556928841.db2.gz SBRZOABCDOZADF-INIZCTEOSA-N 1 1 428.989 4.665 50 0 IJAAMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268817 556986120 /nfs/dbraw/zinc/98/61/20/556986120.db2.gz AGGFIJMBXVGLAI-UHFFFAOYSA-N 1 1 437.540 4.983 50 0 IJAAMO CN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020149263 556990592 /nfs/dbraw/zinc/99/05/92/556990592.db2.gz BPJLCOUSJPZBDA-IBGZPJMESA-N 1 1 430.518 4.968 50 0 IJAAMO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421514 557015190 /nfs/dbraw/zinc/01/51/90/557015190.db2.gz XTKZPBDFNZYMSX-UHFFFAOYSA-N 1 1 439.481 4.956 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000033326689 557108376 /nfs/dbraw/zinc/10/83/76/557108376.db2.gz HOWSWCHFAMCSDF-UHFFFAOYSA-N 1 1 426.908 4.901 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000033326689 557108378 /nfs/dbraw/zinc/10/83/78/557108378.db2.gz HOWSWCHFAMCSDF-UHFFFAOYSA-N 1 1 426.908 4.901 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCc1cn(C)c2ccccc12 ZINC000409414232 557109743 /nfs/dbraw/zinc/10/97/43/557109743.db2.gz JANUKXFWFXKRES-UKILVPOCSA-N 1 1 439.644 4.631 50 0 biogenic IJAAMO Cc1ccc(-c2csc(N3[NH2+]C4=C(COc5ccccc54)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957634 557159046 /nfs/dbraw/zinc/15/90/46/557159046.db2.gz IZUYGJHIILAGJL-FOIQADDNSA-N 1 1 431.439 4.602 50 0 IJAAMO Cc1ccc(-c2csc(N3[NH2+]C4=C(COc5ccccc54)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957639 557159093 /nfs/dbraw/zinc/15/90/93/557159093.db2.gz IZUYGJHIILAGJL-YWZLYKJASA-N 1 1 431.439 4.602 50 0 IJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023332170 557344262 /nfs/dbraw/zinc/34/42/62/557344262.db2.gz UPEKAQVYAWLTCM-FQEVSTJZSA-N 1 1 442.485 4.977 50 0 IJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023332170 557344264 /nfs/dbraw/zinc/34/42/64/557344264.db2.gz UPEKAQVYAWLTCM-FQEVSTJZSA-N 1 1 442.485 4.977 50 0 IJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023332170 557344266 /nfs/dbraw/zinc/34/42/66/557344266.db2.gz UPEKAQVYAWLTCM-FQEVSTJZSA-N 1 1 442.485 4.977 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000103051986 557416960 /nfs/dbraw/zinc/41/69/60/557416960.db2.gz WRNMAPOFJBYEKC-MHECFPHRSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000103051986 557416963 /nfs/dbraw/zinc/41/69/63/557416963.db2.gz WRNMAPOFJBYEKC-MHECFPHRSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000009714422 562975847 /nfs/dbraw/zinc/97/58/47/562975847.db2.gz MTTQKEUKWURFMB-QFIPXVFZSA-N 1 1 445.519 4.545 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983680 568622955 /nfs/dbraw/zinc/62/29/55/568622955.db2.gz MQIMXLXJMULQLV-LEWJYISDSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982575 568623020 /nfs/dbraw/zinc/62/30/20/568623020.db2.gz FAJVOJRUVQYTGQ-FCHUYYIVSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982575 568623023 /nfs/dbraw/zinc/62/30/23/568623023.db2.gz FAJVOJRUVQYTGQ-FCHUYYIVSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982993 568623846 /nfs/dbraw/zinc/62/38/46/568623846.db2.gz KKUCECPWFGEDIC-VQTJNVASSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)ccc1Cl ZINC000015669112 568801755 /nfs/dbraw/zinc/80/17/55/568801755.db2.gz ANPAGGZQJCGWLX-UHFFFAOYSA-N 1 1 426.948 4.539 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2noc3c2CCc2sccc2-3)o1 ZINC000015733305 568815637 /nfs/dbraw/zinc/81/56/37/568815637.db2.gz QGOAXCIHGUVPCH-OAHLLOKOSA-N 1 1 425.554 4.789 50 0 IJAAMO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517384 568876664 /nfs/dbraw/zinc/87/66/64/568876664.db2.gz MFRRTMMMZDOFQG-CMJOXMDJSA-N 1 1 434.565 4.749 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312331 568914857 /nfs/dbraw/zinc/91/48/57/568914857.db2.gz UJXHMWBWBXEYSW-LNRXMEIDSA-N 1 1 448.950 4.779 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312331 568914858 /nfs/dbraw/zinc/91/48/58/568914858.db2.gz UJXHMWBWBXEYSW-LNRXMEIDSA-N 1 1 448.950 4.779 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)cc1 ZINC000036063939 568945086 /nfs/dbraw/zinc/94/50/86/568945086.db2.gz VPUOFJFTKSAJIM-GOSISDBHSA-N 1 1 425.529 4.643 50 0 IJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)cc1 ZINC000036063939 568945087 /nfs/dbraw/zinc/94/50/87/568945087.db2.gz VPUOFJFTKSAJIM-GOSISDBHSA-N 1 1 425.529 4.643 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147213 568962395 /nfs/dbraw/zinc/96/23/95/568962395.db2.gz BEOUDJBUXCHTII-RPBOFIJWSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147213 568962400 /nfs/dbraw/zinc/96/24/00/568962400.db2.gz BEOUDJBUXCHTII-RPBOFIJWSA-N 1 1 448.538 4.569 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146413 568962807 /nfs/dbraw/zinc/96/28/07/568962807.db2.gz ARVIHJOVPBUPGR-SFTDATJTSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146413 568962809 /nfs/dbraw/zinc/96/28/09/568962809.db2.gz ARVIHJOVPBUPGR-SFTDATJTSA-N 1 1 448.966 4.650 50 0 IJAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305088 568995025 /nfs/dbraw/zinc/99/50/25/568995025.db2.gz VXCJSRHERMURIM-HXUWFJFHSA-N 1 1 443.975 4.752 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036308450 568996404 /nfs/dbraw/zinc/99/64/04/568996404.db2.gz YHCJDIDZHCKNON-HSZRJFAPSA-N 1 1 435.568 4.723 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036308450 568996406 /nfs/dbraw/zinc/99/64/06/568996406.db2.gz YHCJDIDZHCKNON-HSZRJFAPSA-N 1 1 435.568 4.723 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343930 569079823 /nfs/dbraw/zinc/07/98/23/569079823.db2.gz ZZJUTFXJUPDTIS-JOCHJYFZSA-N 1 1 425.960 4.758 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036346074 569080808 /nfs/dbraw/zinc/08/08/08/569080808.db2.gz CXHJABNEQJKBIG-OAQYLSRUSA-N 1 1 441.547 4.722 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC)C(C)C ZINC000036345818 569080846 /nfs/dbraw/zinc/08/08/46/569080846.db2.gz VWJURHWSHVSZLE-OAQYLSRUSA-N 1 1 441.547 4.584 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC(C)C)cc1 ZINC000524730729 569126056 /nfs/dbraw/zinc/12/60/56/569126056.db2.gz UWAFLISLPAVYJA-UKILVPOCSA-N 1 1 430.633 4.536 50 0 biogenic IJAAMO Cc1nc2cc(NC(=O)C3CC[NH+](CC(=O)Nc4cc(C)cc(C)c4)CC3)ccc2s1 ZINC000036709226 569136204 /nfs/dbraw/zinc/13/62/04/569136204.db2.gz HCCVQWCBYLOPTR-UHFFFAOYSA-N 1 1 436.581 4.511 50 0 IJAAMO C[C@@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891130 569165689 /nfs/dbraw/zinc/16/56/89/569165689.db2.gz ZMUYOBKNTITZLC-HXOBKFHXSA-N 1 1 441.547 4.708 50 0 IJAAMO CC(C)c1ccc(C[N@H+](C)[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139199 569311611 /nfs/dbraw/zinc/31/16/11/569311611.db2.gz DOAOTUSMQUGLHO-UIOOFZCWSA-N 1 1 434.605 4.886 50 0 IJAAMO CC(C)c1ccc(C[N@@H+](C)[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139199 569311613 /nfs/dbraw/zinc/31/16/13/569311613.db2.gz DOAOTUSMQUGLHO-UIOOFZCWSA-N 1 1 434.605 4.886 50 0 IJAAMO Brc1cccc(-c2nnc3sc(C[N@H+]4CCc5ccccc5C4)cn32)c1 ZINC000020151785 569336513 /nfs/dbraw/zinc/33/65/13/569336513.db2.gz KNXKORUIBLGINR-UHFFFAOYSA-N 1 1 425.355 4.779 50 0 IJAAMO CN(C)C(=O)COc1cccc(C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)c1 ZINC000095361047 569362258 /nfs/dbraw/zinc/36/22/58/569362258.db2.gz QZFBRMQLOVTNQT-UHFFFAOYSA-N 1 1 448.013 4.705 50 0 IJAAMO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405891 569364550 /nfs/dbraw/zinc/36/45/50/569364550.db2.gz UFYYIVLOCRFPAZ-NOZRDPDXSA-N 1 1 445.588 4.817 50 0 IJAAMO Cc1c(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1-c1cc[nH+]cc1 ZINC000095448033 569367511 /nfs/dbraw/zinc/36/75/11/569367511.db2.gz LRIWXKJEYOVJTG-DEOSSOPVSA-N 1 1 440.503 4.729 50 0 IJAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(C)cc3Br)c(C[NH+]3CCOCC3)c2s1 ZINC000096363787 569397724 /nfs/dbraw/zinc/39/77/24/569397724.db2.gz RSZDOPKAGAVYLY-UHFFFAOYSA-N 1 1 448.386 4.693 50 0 IJAAMO COc1cc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1OC(F)F ZINC000002649813 569414609 /nfs/dbraw/zinc/41/46/09/569414609.db2.gz URIRZTXPTLIRJX-UHFFFAOYSA-N 1 1 440.490 4.634 50 0 IJAAMO COc1cc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1OC(F)F ZINC000002649813 569414610 /nfs/dbraw/zinc/41/46/10/569414610.db2.gz URIRZTXPTLIRJX-UHFFFAOYSA-N 1 1 440.490 4.634 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002915175 569425149 /nfs/dbraw/zinc/42/51/49/569425149.db2.gz IZONCLVGACSPIE-JWQCQUIFSA-N 1 1 438.487 4.508 50 0 IJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 ZINC000057273666 569430428 /nfs/dbraw/zinc/43/04/28/569430428.db2.gz SQFREBBSYVZQAQ-VWLOTQADSA-N 1 1 433.577 4.755 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCc4ccccc43)cc2)cc1 ZINC000029483768 569430626 /nfs/dbraw/zinc/43/06/26/569430626.db2.gz NAHSPEWEZFUTNQ-RUZDIDTESA-N 1 1 443.547 4.895 50 0 IJAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057315291 569430975 /nfs/dbraw/zinc/43/09/75/569430975.db2.gz YHYIWVJUFZQKGT-XMMPIXPASA-N 1 1 437.559 4.620 50 0 IJAAMO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 ZINC000058021432 569445418 /nfs/dbraw/zinc/44/54/18/569445418.db2.gz LLSLAQTXFLRMRR-UHFFFAOYSA-N 1 1 437.440 4.719 50 0 IJAAMO COc1ccc(NC(C)=O)cc1Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000008189463 569462449 /nfs/dbraw/zinc/46/24/49/569462449.db2.gz SXSOGQWPVDEDTO-UHFFFAOYSA-N 1 1 425.558 4.615 50 0 IJAAMO CCc1cc([C@@H](c2cccc(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546442 569463562 /nfs/dbraw/zinc/46/35/62/569463562.db2.gz AUJAKHJFXVPNCF-JOCHJYFZSA-N 1 1 439.581 4.501 50 0 IJAAMO CCc1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546452 569463603 /nfs/dbraw/zinc/46/36/03/569463603.db2.gz HILDYMYGTKIOLS-OAQYLSRUSA-N 1 1 427.545 4.632 50 0 IJAAMO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000040039598 569483346 /nfs/dbraw/zinc/48/33/46/569483346.db2.gz RORMYFPFGLSHMI-UHFFFAOYSA-N 1 1 433.552 4.527 50 0 IJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000009461054 569537027 /nfs/dbraw/zinc/53/70/27/569537027.db2.gz MZGXICYBIOGFRC-FGZHOGPDSA-N 1 1 431.858 4.678 50 0 IJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000009461055 569537036 /nfs/dbraw/zinc/53/70/36/569537036.db2.gz MZGXICYBIOGFRC-FCHUYYIVSA-N 1 1 431.858 4.678 50 0 IJAAMO FC(F)Oc1ccc(Br)cc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009534496 569545467 /nfs/dbraw/zinc/54/54/67/569545467.db2.gz UGDIQOZDOJHDNE-UHFFFAOYSA-N 1 1 425.317 4.936 50 0 IJAAMO COc1cc(OC)c(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225395 569579292 /nfs/dbraw/zinc/57/92/92/569579292.db2.gz SLFFFVRJNLUAIF-UHFFFAOYSA-N 1 1 427.932 4.657 50 0 IJAAMO Cc1nc2sc(-c3ccccc3)cc2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000011024092 132336909 /nfs/dbraw/zinc/33/69/09/132336909.db2.gz BIBRTXYGPDSHRK-UHFFFAOYSA-N 1 1 444.560 4.718 50 0 IJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cs1 ZINC000012590107 518275268 /nfs/dbraw/zinc/27/52/68/518275268.db2.gz OJPBYGNSUKPBSK-GOSISDBHSA-N 1 1 425.579 4.925 50 0 IJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cs1 ZINC000012590107 518275277 /nfs/dbraw/zinc/27/52/77/518275277.db2.gz OJPBYGNSUKPBSK-GOSISDBHSA-N 1 1 425.579 4.925 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c3ccccc3n2)cc1 ZINC000021662898 519707841 /nfs/dbraw/zinc/70/78/41/519707841.db2.gz UFLDGMNRXWCOEE-IBGZPJMESA-N 1 1 444.579 4.712 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000021662896 519707996 /nfs/dbraw/zinc/70/79/96/519707996.db2.gz UFLDGMNRXWCOEE-LJQANCHMSA-N 1 1 444.579 4.712 50 0 IJAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000012507420 520458286 /nfs/dbraw/zinc/45/82/86/520458286.db2.gz FXODFKSCTMISKJ-UHFFFAOYSA-N 1 1 447.959 4.669 50 0 IJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCCCOC)C1 ZINC000020532203 521724616 /nfs/dbraw/zinc/72/46/16/521724616.db2.gz GKMLGXJAWBIJAC-HXUWFJFHSA-N 1 1 446.661 4.730 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3C)ccc2c1NC(=O)Cc1ccccc1 ZINC000012726620 522434983 /nfs/dbraw/zinc/43/49/83/522434983.db2.gz MAGOBWOYJDTZFP-MRXNPFEDSA-N 1 1 437.565 4.639 50 0 IJAAMO COc1cc2c(cc1OC)C[N@H+](Cn1c3ccccc3nc1COc1ccccc1)CC2 ZINC000023968351 523033639 /nfs/dbraw/zinc/03/36/39/523033639.db2.gz GYHFGYHCUOIXGT-UHFFFAOYSA-N 1 1 429.520 4.648 50 0 IJAAMO COc1cc2c(cc1OC)C[N@@H+](Cn1c3ccccc3nc1COc1ccccc1)CC2 ZINC000023968351 523033652 /nfs/dbraw/zinc/03/36/52/523033652.db2.gz GYHFGYHCUOIXGT-UHFFFAOYSA-N 1 1 429.520 4.648 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]cnc2c1 ZINC000012197722 523044351 /nfs/dbraw/zinc/04/43/51/523044351.db2.gz KUJKDALOPLHGIN-SFHVURJKSA-N 1 1 444.501 4.608 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccccc1)CC2 ZINC000036041033 523046419 /nfs/dbraw/zinc/04/64/19/523046419.db2.gz XLKUVTVMLVRTAF-DEOSSOPVSA-N 1 1 430.548 4.542 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccccc1)CC2 ZINC000036041033 523046428 /nfs/dbraw/zinc/04/64/28/523046428.db2.gz XLKUVTVMLVRTAF-DEOSSOPVSA-N 1 1 430.548 4.542 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCCC3)no2)cc1 ZINC000021805287 523096235 /nfs/dbraw/zinc/09/62/35/523096235.db2.gz DSWBBEBAGKJZRN-QFIPXVFZSA-N 1 1 439.943 4.961 50 0 IJAAMO COc1ccc(-c2cc3ncnc(NC[C@@H]4C[N@H+](Cc5ccccc5)CCO4)c3s2)cc1 ZINC000012693990 523124785 /nfs/dbraw/zinc/12/47/85/523124785.db2.gz VBNGUQJZEYZFAI-OAQYLSRUSA-N 1 1 446.576 4.680 50 0 IJAAMO COc1ccc(-c2cc3ncnc(NC[C@@H]4C[N@@H+](Cc5ccccc5)CCO4)c3s2)cc1 ZINC000012693990 523124792 /nfs/dbraw/zinc/12/47/92/523124792.db2.gz VBNGUQJZEYZFAI-OAQYLSRUSA-N 1 1 446.576 4.680 50 0 IJAAMO COc1ccc(-c2cc3ncnc(NC[C@H]4C[N@H+](Cc5ccccc5)CCO4)c3s2)cc1 ZINC000012693997 523125371 /nfs/dbraw/zinc/12/53/71/523125371.db2.gz VBNGUQJZEYZFAI-NRFANRHFSA-N 1 1 446.576 4.680 50 0 IJAAMO COc1ccc(-c2cc3ncnc(NC[C@H]4C[N@@H+](Cc5ccccc5)CCO4)c3s2)cc1 ZINC000012693997 523125381 /nfs/dbraw/zinc/12/53/81/523125381.db2.gz VBNGUQJZEYZFAI-NRFANRHFSA-N 1 1 446.576 4.680 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780766 523835411 /nfs/dbraw/zinc/83/54/11/523835411.db2.gz PLFZQWQVIPNSTO-DFBJGRDBSA-N 1 1 441.535 4.615 50 0 IJAAMO CCc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000021795342 523981924 /nfs/dbraw/zinc/98/19/24/523981924.db2.gz WQWJGXAJWAZGPK-UHFFFAOYSA-N 1 1 430.556 4.754 50 0 IJAAMO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000012342381 524278832 /nfs/dbraw/zinc/27/88/32/524278832.db2.gz VKDUGJXFNQIFII-QFIPXVFZSA-N 1 1 447.604 4.528 50 0 IJAAMO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000012342381 524278845 /nfs/dbraw/zinc/27/88/45/524278845.db2.gz VKDUGJXFNQIFII-QFIPXVFZSA-N 1 1 447.604 4.528 50 0 IJAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000034733416 524597923 /nfs/dbraw/zinc/59/79/23/524597923.db2.gz QXHVHMWXSJTFEW-DHIUTWEWSA-N 1 1 430.548 4.948 50 0 IJAAMO Cc1ccc(-c2noc(CCC(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)n2)cc1 ZINC000022295735 525875767 /nfs/dbraw/zinc/87/57/67/525875767.db2.gz IPJFEHGVUZCNSJ-IRXDYDNUSA-N 1 1 439.585 4.551 50 0 IJAAMO O=C(c1cccnc1)N1CCC[C@H](COc2ccc(C[N@H+]3CCc4ccccc4C3)cc2)C1 ZINC000012326839 526818659 /nfs/dbraw/zinc/81/86/59/526818659.db2.gz ONLJCJVJHXILDN-QHCPKHFHSA-N 1 1 441.575 4.571 50 0 IJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635870 555516702 /nfs/dbraw/zinc/51/67/02/555516702.db2.gz XDEVMUFJFXTOJO-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1cccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(C)c(Cl)c4)co3)CC2)c1 ZINC000034678318 555797059 /nfs/dbraw/zinc/79/70/59/555797059.db2.gz SHUASCITWWDZGF-UHFFFAOYSA-N 1 1 438.959 4.515 50 0 IJAAMO CCc1ccc(N(C2CC[NH+](Cc3cccnc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683970 555819487 /nfs/dbraw/zinc/81/94/87/555819487.db2.gz OKAOSGYZQGHZBN-UHFFFAOYSA-N 1 1 435.593 4.504 50 0 IJAAMO CCc1ccc([C@@H]2CC[C@@H](C(=O)NCCc3ccccn3)C[N@H+]2Cc2ccccc2)cc1 ZINC000034711312 555824578 /nfs/dbraw/zinc/82/45/78/555824578.db2.gz WWLZOMDILIOIIC-VPUSJEBWSA-N 1 1 427.592 4.956 50 0 IJAAMO COCCN(C[C@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740520 555883656 /nfs/dbraw/zinc/88/36/56/555883656.db2.gz KNPDVXSJUPGDMJ-IRLDBZIGSA-N 1 1 432.605 4.542 50 0 IJAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)CCC3)c(C)c1 ZINC000004845117 556014834 /nfs/dbraw/zinc/01/48/34/556014834.db2.gz FUAGTXMMQJHJRA-UHFFFAOYSA-N 1 1 425.598 4.920 50 0 IJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000032747985 556316567 /nfs/dbraw/zinc/31/65/67/556316567.db2.gz RXFYKQRBFXGHFB-SFHVURJKSA-N 1 1 425.729 4.809 50 0 IJAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000011783635 556352121 /nfs/dbraw/zinc/35/21/21/556352121.db2.gz QCPFRLVNDFPIRR-QHCPKHFHSA-N 1 1 437.971 4.780 50 0 IJAAMO C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CCOc4ccc(Cl)cc4)nc(N)c23)C1 ZINC000014067093 556359731 /nfs/dbraw/zinc/35/97/31/556359731.db2.gz DRCUHGKFHPHZRR-AWEZNQCLSA-N 1 1 431.005 4.605 50 0 IJAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821788 556362724 /nfs/dbraw/zinc/36/27/24/556362724.db2.gz ZRKINYXQNPQHBK-KRWDZBQOSA-N 1 1 431.380 4.514 50 0 IJAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821788 556362726 /nfs/dbraw/zinc/36/27/26/556362726.db2.gz ZRKINYXQNPQHBK-KRWDZBQOSA-N 1 1 431.380 4.514 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccc(Cl)c1 ZINC000011871764 556368967 /nfs/dbraw/zinc/36/89/67/556368967.db2.gz QAHHUZFMSQMGIB-GOSISDBHSA-N 1 1 430.976 4.779 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000012004744 556386385 /nfs/dbraw/zinc/38/63/85/556386385.db2.gz LYAJQBPNBXFJNI-NRFANRHFSA-N 1 1 446.547 4.927 50 0 IJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992930 556428872 /nfs/dbraw/zinc/42/88/72/556428872.db2.gz GKOJTPOVIRBUCF-VXGBXAGGSA-N 1 1 426.355 4.775 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3C)ccc2c1NC(=O)c1ccsc1 ZINC000015068071 556493856 /nfs/dbraw/zinc/49/38/56/556493856.db2.gz YSTHWLUAKLLDSY-CYBMUJFWSA-N 1 1 429.567 4.771 50 0 IJAAMO CCOc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)cc1CO ZINC000015073387 556497795 /nfs/dbraw/zinc/49/77/95/556497795.db2.gz YNNWJWUMIXNNFA-HXUWFJFHSA-N 1 1 440.584 4.526 50 0 IJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1 ZINC000015079396 556500213 /nfs/dbraw/zinc/50/02/13/556500213.db2.gz DMZNQCUIVVOEFZ-KRWDZBQOSA-N 1 1 444.959 4.766 50 0 IJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000015953654 556569413 /nfs/dbraw/zinc/56/94/13/556569413.db2.gz UWRQLAGOUKFNKV-BBVWWWHTSA-N 1 1 425.569 4.889 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146130 556593896 /nfs/dbraw/zinc/59/38/96/556593896.db2.gz WFKSSNIQALQFLW-VXKWHMMOSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000032974939 556596767 /nfs/dbraw/zinc/59/67/67/556596767.db2.gz NXHFYOKQSJXEIS-JOCHJYFZSA-N 1 1 430.596 4.771 50 0 IJAAMO Cc1cc2sc(N3CCC(C(=O)NCC[N@H+](C)C4CCCCC4)CC3)nc2c(C)c1 ZINC000005107418 556635452 /nfs/dbraw/zinc/63/54/52/556635452.db2.gz UFDAIEPAIFYONC-UHFFFAOYSA-N 1 1 428.646 4.510 50 0 IJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011841136 556660250 /nfs/dbraw/zinc/66/02/50/556660250.db2.gz UVNFKLXETLQJHB-OAQYLSRUSA-N 1 1 446.060 4.738 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000018220145 556687703 /nfs/dbraw/zinc/68/77/03/556687703.db2.gz BDNOOOWNKIDZOU-VWLOTQADSA-N 1 1 434.580 4.842 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)nc(C)[nH+]2)cc1 ZINC000067629893 556845177 /nfs/dbraw/zinc/84/51/77/556845177.db2.gz TYBPTWUGXDZQAD-UHFFFAOYSA-N 1 1 434.519 4.639 50 0 IJAAMO COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)[NH+]2CCCC2)cc1 ZINC000008745753 556845393 /nfs/dbraw/zinc/84/53/93/556845393.db2.gz UMLNSEPBGBOSMB-OAQYLSRUSA-N 1 1 440.613 4.638 50 0 IJAAMO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 ZINC000033126351 556867075 /nfs/dbraw/zinc/86/70/75/556867075.db2.gz NTKNQRIAMCBLKR-UHFFFAOYSA-N 1 1 430.552 4.809 50 0 IJAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000019793179 556915592 /nfs/dbraw/zinc/91/55/92/556915592.db2.gz WUHFSCFYFBWCOF-JQIJEIRASA-N 1 1 442.559 4.651 50 0 IJAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020368470 557012219 /nfs/dbraw/zinc/01/22/19/557012219.db2.gz CVSXKFUBNGTTQW-UHFFFAOYSA-N 1 1 437.971 4.624 50 0 IJAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032278 557024731 /nfs/dbraw/zinc/02/47/31/557024731.db2.gz UBPAKQKJVCLDRK-UHFFFAOYSA-N 1 1 447.004 4.501 50 0 IJAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032278 557024736 /nfs/dbraw/zinc/02/47/36/557024736.db2.gz UBPAKQKJVCLDRK-UHFFFAOYSA-N 1 1 447.004 4.501 50 0 IJAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032314 557024743 /nfs/dbraw/zinc/02/47/43/557024743.db2.gz PBOWKQUCCSJLQD-UHFFFAOYSA-N 1 1 448.592 4.660 50 0 IJAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032314 557024747 /nfs/dbraw/zinc/02/47/47/557024747.db2.gz PBOWKQUCCSJLQD-UHFFFAOYSA-N 1 1 448.592 4.660 50 0 IJAAMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000072098604 557029847 /nfs/dbraw/zinc/02/98/47/557029847.db2.gz NSZCPJDPIYPWTK-UHFFFAOYSA-N 1 1 446.576 4.533 50 0 IJAAMO C[C@@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181494 557045364 /nfs/dbraw/zinc/04/53/64/557045364.db2.gz RUQKSNZSRCZIAH-JPYJTQIMSA-N 1 1 439.556 4.928 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181728 557045701 /nfs/dbraw/zinc/04/57/01/557045701.db2.gz GBYSIDGCWDOYHF-CYFREDJKSA-N 1 1 441.641 4.705 50 0 IJAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)cc1 ZINC000023153885 557069849 /nfs/dbraw/zinc/06/98/49/557069849.db2.gz SLJWSAQZYIFCID-UHFFFAOYSA-N 1 1 447.970 4.875 50 0 IJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259241 557080583 /nfs/dbraw/zinc/08/05/83/557080583.db2.gz NFIWHKMMGHPAKP-LJQANCHMSA-N 1 1 440.590 4.951 50 0 IJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259241 557080586 /nfs/dbraw/zinc/08/05/86/557080586.db2.gz NFIWHKMMGHPAKP-LJQANCHMSA-N 1 1 440.590 4.951 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000023338807 557085097 /nfs/dbraw/zinc/08/50/97/557085097.db2.gz JRNRAAVGEHLZAB-MRXNPFEDSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000023339060 557085589 /nfs/dbraw/zinc/08/55/89/557085589.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 1 1 436.575 4.769 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@H]2CCCN(C)C2)cc1F ZINC000023339060 557085603 /nfs/dbraw/zinc/08/56/03/557085603.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 1 1 436.575 4.769 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1F ZINC000023339060 557085607 /nfs/dbraw/zinc/08/56/07/557085607.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 1 1 436.575 4.769 50 0 IJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)[nH+]c(C)n1 ZINC000033326882 557108855 /nfs/dbraw/zinc/10/88/55/557108855.db2.gz ZVJGTOMANRSTIE-UHFFFAOYSA-N 1 1 443.548 4.623 50 0 IJAAMO Fc1ccc(-c2csc3ncnc(NCc4ccccc4C[NH+]4CCOCC4)c23)cc1 ZINC000023983259 557129657 /nfs/dbraw/zinc/12/96/57/557129657.db2.gz YZVARVHSJBAVHG-UHFFFAOYSA-N 1 1 434.540 4.942 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000025439837 557209731 /nfs/dbraw/zinc/20/97/31/557209731.db2.gz AVTREDQWCJZDLU-HSZRJFAPSA-N 1 1 443.547 4.593 50 0 IJAAMO Clc1ccc2c(c1)SCc1ccccc1/C2=C/C[NH+]1CCN(c2ncccn2)CC1 ZINC000025578939 557215690 /nfs/dbraw/zinc/21/56/90/557215690.db2.gz XDSKKBGRKKLGMI-WNFQYIGGSA-N 1 1 434.996 4.990 50 0 IJAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)s2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050641 557474693 /nfs/dbraw/zinc/47/46/93/557474693.db2.gz FREXFTFKRLNKLL-NFBKMPQASA-N 1 1 432.605 4.542 50 0 IJAAMO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3ncccc13)CCO2 ZINC000012027053 562980443 /nfs/dbraw/zinc/98/04/43/562980443.db2.gz JECNSOJTSSJEHB-NDEPHWFRSA-N 1 1 440.543 4.916 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CCN(C(C)C)CC2)CC1 ZINC000012386143 562981865 /nfs/dbraw/zinc/98/18/65/562981865.db2.gz OVHRPJNENURSDV-UHFFFAOYSA-N 1 1 440.550 4.766 50 0 IJAAMO O=S1(=O)c2cccc3cccc(c23)N1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826831 563010590 /nfs/dbraw/zinc/01/05/90/563010590.db2.gz ZSUPXNKHJARQNU-UHFFFAOYSA-N 1 1 429.545 4.619 50 0 IJAAMO Clc1ccc2c(c1)/C(=C/C[NH+]1CCN(c3ncccn3)CC1)c1ccccc1CS2 ZINC000211562755 568796291 /nfs/dbraw/zinc/79/62/91/568796291.db2.gz OHOUUXHWDCCAJS-ODCIPOBUSA-N 1 1 434.996 4.990 50 0 IJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)[nH+]1 ZINC000015838356 568844163 /nfs/dbraw/zinc/84/41/63/568844163.db2.gz DBXDWRQUUYMVOT-UHFFFAOYSA-N 1 1 442.317 4.737 50 0 IJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(N2CCCC2)[nH+]1 ZINC000015838356 568844165 /nfs/dbraw/zinc/84/41/65/568844165.db2.gz DBXDWRQUUYMVOT-UHFFFAOYSA-N 1 1 442.317 4.737 50 0 IJAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000229765829 568886749 /nfs/dbraw/zinc/88/67/49/568886749.db2.gz QEBBOZLXHQHKGB-NVXWUHKLSA-N 1 1 442.922 4.586 50 0 IJAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000229765829 568886752 /nfs/dbraw/zinc/88/67/52/568886752.db2.gz QEBBOZLXHQHKGB-NVXWUHKLSA-N 1 1 442.922 4.586 50 0 IJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)c1 ZINC000036103910 568952967 /nfs/dbraw/zinc/95/29/67/568952967.db2.gz HRMUDIDFWZVUQO-RUZDIDTESA-N 1 1 433.548 4.612 50 0 IJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1OC ZINC000064800945 568961475 /nfs/dbraw/zinc/96/14/75/568961475.db2.gz AIYHOCFMHJTLDO-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2cccc(Cl)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000169680041 568990457 /nfs/dbraw/zinc/99/04/57/568990457.db2.gz BVPCRCYAEVKOTF-YADHBBJMSA-N 1 1 445.003 4.820 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306467 568995621 /nfs/dbraw/zinc/99/56/21/568995621.db2.gz SWFVRVYAOLZGLX-JOCHJYFZSA-N 1 1 435.568 4.550 50 0 IJAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064968129 569076108 /nfs/dbraw/zinc/07/61/08/569076108.db2.gz OHUQNYXAYLPMGE-UHFFFAOYSA-N 1 1 427.548 4.865 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345160 569080575 /nfs/dbraw/zinc/08/05/75/569080575.db2.gz CTNVYVRAXMXHNG-RUZDIDTESA-N 1 1 443.547 4.514 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345160 569080577 /nfs/dbraw/zinc/08/05/77/569080577.db2.gz CTNVYVRAXMXHNG-RUZDIDTESA-N 1 1 443.547 4.514 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC ZINC000036346394 569081055 /nfs/dbraw/zinc/08/10/55/569081055.db2.gz HWKBFEXTRVCECD-QFIPXVFZSA-N 1 1 441.547 4.722 50 0 IJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346322 569081121 /nfs/dbraw/zinc/08/11/21/569081121.db2.gz UZXREUAOSIIJIU-GCJKJVERSA-N 1 1 441.547 4.720 50 0 IJAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348537 569081787 /nfs/dbraw/zinc/08/17/87/569081787.db2.gz DDGLAEBXHOFLRK-XMMPIXPASA-N 1 1 436.552 4.908 50 0 IJAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348537 569081788 /nfs/dbraw/zinc/08/17/88/569081788.db2.gz DDGLAEBXHOFLRK-XMMPIXPASA-N 1 1 436.552 4.908 50 0 IJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257923 569124235 /nfs/dbraw/zinc/12/42/35/569124235.db2.gz MNZSLRIUQJYDGV-UHFFFAOYSA-N 1 1 429.927 4.760 50 0 IJAAMO CC(C)c1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257923 569124236 /nfs/dbraw/zinc/12/42/36/569124236.db2.gz MNZSLRIUQJYDGV-UHFFFAOYSA-N 1 1 429.927 4.760 50 0 IJAAMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000013139815 569311673 /nfs/dbraw/zinc/31/16/73/569311673.db2.gz NWFIJQWYDXNZFQ-UHFFFAOYSA-N 1 1 425.882 4.552 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2oc1-c1ccccc1 ZINC000079193101 569328273 /nfs/dbraw/zinc/32/82/73/569328273.db2.gz NDLVQNHULRWCPT-NZQKXSOJSA-N 1 1 430.548 4.763 50 0 biogenic IJAAMO CCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000095394253 569363524 /nfs/dbraw/zinc/36/35/24/569363524.db2.gz GMJHVSIADXDWBG-UHFFFAOYSA-N 1 1 437.367 4.552 50 0 IJAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000020412688 569364219 /nfs/dbraw/zinc/36/42/19/569364219.db2.gz WCUOFPDUYJZKGE-HZPDHXFCSA-N 1 1 441.959 4.899 50 0 IJAAMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000095456931 569368914 /nfs/dbraw/zinc/36/89/14/569368914.db2.gz APPRRWYANFWVSD-OAHLLOKOSA-N 1 1 431.437 4.580 50 0 IJAAMO COCCCOC1(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CCCC1 ZINC000096012981 569380174 /nfs/dbraw/zinc/38/01/74/569380174.db2.gz UPCNVUAFTQIJBF-UHFFFAOYSA-N 1 1 440.584 4.540 50 0 IJAAMO O=C(NCc1ccc(Cl)cc1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225631440 569406255 /nfs/dbraw/zinc/40/62/55/569406255.db2.gz ZNLMCGVBTGNVFS-XMMPIXPASA-N 1 1 442.003 4.695 50 0 IJAAMO OCCOCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714866 569417932 /nfs/dbraw/zinc/41/79/32/569417932.db2.gz BEOBTAXPSAJXIN-UHFFFAOYSA-N 1 1 442.441 4.527 50 0 IJAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000058021438 569445402 /nfs/dbraw/zinc/44/54/02/569445402.db2.gz OMRFOEQOVSEXLA-UHFFFAOYSA-N 1 1 441.403 4.550 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008928035 569487410 /nfs/dbraw/zinc/48/74/10/569487410.db2.gz DOFXCIBTYRSKNS-UVIRAJKCSA-N 1 1 449.532 4.767 50 0 IJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000009158382 569508545 /nfs/dbraw/zinc/50/85/45/569508545.db2.gz WVXMZNBDZCJBFX-VEXUSMLFSA-N 1 1 427.928 4.620 50 0 IJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000009158382 569508546 /nfs/dbraw/zinc/50/85/46/569508546.db2.gz WVXMZNBDZCJBFX-VEXUSMLFSA-N 1 1 427.928 4.620 50 0 IJAAMO COc1ccc(C(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c2ccc(OC)cc2)cc1 ZINC000009713060 569562434 /nfs/dbraw/zinc/56/24/34/569562434.db2.gz MPVATQRJFDVSDM-JOCHJYFZSA-N 1 1 436.577 4.808 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000009848251 569571221 /nfs/dbraw/zinc/57/12/21/569571221.db2.gz NKUCLNGBBXFSEY-NRFANRHFSA-N 1 1 442.673 4.900 50 0 IJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000045967925 569586910 /nfs/dbraw/zinc/58/69/10/569586910.db2.gz HYZUVBYESPFUEX-FQEVSTJZSA-N 1 1 432.568 4.807 50 0 IJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635875 193865793 /nfs/dbraw/zinc/86/57/93/193865793.db2.gz XDEVMUFJFXTOJO-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC000012687259 521117839 /nfs/dbraw/zinc/11/78/39/521117839.db2.gz LFGKMSYHEGZBCU-LJQANCHMSA-N 1 1 431.536 4.969 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC000012687259 521117849 /nfs/dbraw/zinc/11/78/49/521117849.db2.gz LFGKMSYHEGZBCU-LJQANCHMSA-N 1 1 431.536 4.969 50 0 IJAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000036628478 521124583 /nfs/dbraw/zinc/12/45/83/521124583.db2.gz YUBIAEZLIQQTQA-UHFFFAOYSA-N 1 1 445.954 4.800 50 0 IJAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1C ZINC000020999697 521787003 /nfs/dbraw/zinc/78/70/03/521787003.db2.gz JYWVDMAFMBYGGQ-OAQYLSRUSA-N 1 1 445.563 4.914 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1 ZINC000042453704 522794502 /nfs/dbraw/zinc/79/45/02/522794502.db2.gz SJTUTRDGJYFSKZ-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CCCC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042958 523037940 /nfs/dbraw/zinc/03/79/40/523037940.db2.gz BKNIKJMIFLJZRD-NIYFSFCBSA-N 1 1 436.596 4.807 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CCCC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042958 523037949 /nfs/dbraw/zinc/03/79/49/523037949.db2.gz BKNIKJMIFLJZRD-NIYFSFCBSA-N 1 1 436.596 4.807 50 0 IJAAMO COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1Br ZINC000022294986 523764028 /nfs/dbraw/zinc/76/40/28/523764028.db2.gz FVPPJHCHLQGCTG-STQMWFEESA-N 1 1 438.391 4.644 50 0 IJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000020927347 523994828 /nfs/dbraw/zinc/99/48/28/523994828.db2.gz WPESUPDLPGUYMH-UHFFFAOYSA-N 1 1 434.487 4.867 50 0 IJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1 ZINC000020927250 523995972 /nfs/dbraw/zinc/99/59/72/523995972.db2.gz LWVUFATXKCIBTD-UHFFFAOYSA-N 1 1 445.386 4.611 50 0 IJAAMO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003869 /nfs/dbraw/zinc/00/38/69/524003869.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 1 1 446.639 4.635 50 0 IJAAMO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003874 /nfs/dbraw/zinc/00/38/74/524003874.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 1 1 446.639 4.635 50 0 IJAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158135 524009637 /nfs/dbraw/zinc/00/96/37/524009637.db2.gz KMCUPSMKHMSOSX-KRWDZBQOSA-N 1 1 439.556 4.981 50 0 IJAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158135 524009640 /nfs/dbraw/zinc/00/96/40/524009640.db2.gz KMCUPSMKHMSOSX-KRWDZBQOSA-N 1 1 439.556 4.981 50 0 IJAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 ZINC000012807960 524417243 /nfs/dbraw/zinc/41/72/43/524417243.db2.gz CPDDFHDFUJLWHM-UHFFFAOYSA-N 1 1 447.604 4.632 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)cc1Cl ZINC000012197488 524483263 /nfs/dbraw/zinc/48/32/63/524483263.db2.gz WKENNUXOPPTVPI-INIZCTEOSA-N 1 1 430.932 4.708 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1Cl ZINC000012441287 524484227 /nfs/dbraw/zinc/48/42/27/524484227.db2.gz VNLYRELLRHJHRZ-OAHLLOKOSA-N 1 1 439.387 4.675 50 0 IJAAMO COc1cccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)c1OC ZINC000020454336 525723106 /nfs/dbraw/zinc/72/31/06/525723106.db2.gz QYXCDOBBHFCCQK-OAQYLSRUSA-N 1 1 428.554 4.674 50 0 IJAAMO Cc1cc(Br)ccc1SCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872748 526174958 /nfs/dbraw/zinc/17/49/58/526174958.db2.gz PCVXFHSJTVRJRB-QGZVFWFLSA-N 1 1 437.403 4.786 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000035888511 526247454 /nfs/dbraw/zinc/24/74/54/526247454.db2.gz CBLGQFGVSWPZFX-UGKGYDQZSA-N 1 1 447.579 4.799 50 0 IJAAMO Cc1nc(-c2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)no1 ZINC000033257621 526581616 /nfs/dbraw/zinc/58/16/16/526581616.db2.gz WUOQGBSHTJGSAG-UHFFFAOYSA-N 1 1 438.531 4.592 50 0 IJAAMO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796357 526831071 /nfs/dbraw/zinc/83/10/71/526831071.db2.gz NTEODNWODSFLNY-UHFFFAOYSA-N 1 1 449.514 4.643 50 0 IJAAMO Clc1cc2c(cc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000012748576 526930566 /nfs/dbraw/zinc/93/05/66/526930566.db2.gz GEIOXSOUFFZXNC-NRFANRHFSA-N 1 1 435.008 4.704 50 0 IJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000000635927 555516662 /nfs/dbraw/zinc/51/66/62/555516662.db2.gz FPQUAGOGEBQRCM-JWQCQUIFSA-N 1 1 438.487 4.508 50 0 IJAAMO CC(C)CNC(=O)COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671483 555793209 /nfs/dbraw/zinc/79/32/09/555793209.db2.gz LZMCQQKTHMBREN-MUUNZHRXSA-N 1 1 428.576 4.985 50 0 IJAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4cccnc4)CC3)nc2)cc1 ZINC000034681645 555814941 /nfs/dbraw/zinc/81/49/41/555814941.db2.gz XUORJCGPTBFJIS-UHFFFAOYSA-N 1 1 443.595 4.739 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+](C)C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008667652 556198264 /nfs/dbraw/zinc/19/82/64/556198264.db2.gz RICWSWDTYPSAFS-OAHLLOKOSA-N 1 1 443.613 4.660 50 0 IJAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000009934076 556317840 /nfs/dbraw/zinc/31/78/40/556317840.db2.gz CCKWWVURKUMZQT-HSZRJFAPSA-N 1 1 440.971 4.715 50 0 IJAAMO COCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)o1 ZINC000011706695 556347715 /nfs/dbraw/zinc/34/77/15/556347715.db2.gz ITKTVANWGYWGOQ-UHFFFAOYSA-N 1 1 446.975 4.795 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)cc1 ZINC000011789227 556354496 /nfs/dbraw/zinc/35/44/96/556354496.db2.gz BRFQLBYHWIJTPE-REWPJTCUSA-N 1 1 434.609 4.700 50 0 IJAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OC)c(OC)c3Cl)C2)cc1 ZINC000011839056 556363707 /nfs/dbraw/zinc/36/37/07/556363707.db2.gz ZWVDSOUOUWTXLT-FQEVSTJZSA-N 1 1 447.019 4.752 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)cc(OC)c1 ZINC000011956449 556381038 /nfs/dbraw/zinc/38/10/38/556381038.db2.gz CQQMLWVTSALLKU-FQEVSTJZSA-N 1 1 448.567 4.520 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc(C2CC2)on1 ZINC000012022171 556387096 /nfs/dbraw/zinc/38/70/96/556387096.db2.gz ZYFYKPKLDQZLSB-KRWDZBQOSA-N 1 1 435.490 4.598 50 0 IJAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)cc1OC ZINC000032622325 556409600 /nfs/dbraw/zinc/40/96/00/556409600.db2.gz GJYPDJNOWRYBRB-JOCHJYFZSA-N 1 1 449.551 4.624 50 0 IJAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)c1 ZINC000032622410 556409975 /nfs/dbraw/zinc/40/99/75/556409975.db2.gz KDCOOQDIZWTJDX-QHCPKHFHSA-N 1 1 449.551 4.624 50 0 IJAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665574 556417105 /nfs/dbraw/zinc/41/71/05/556417105.db2.gz QNSHPODDWILZKK-OYRHEFFESA-N 1 1 447.579 4.590 50 0 IJAAMO Cc1c(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003731 556434483 /nfs/dbraw/zinc/43/44/83/556434483.db2.gz LWFKFMKCVIMSFJ-KBPBESRZSA-N 1 1 428.602 4.665 50 0 IJAAMO Cc1c(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003729 556434566 /nfs/dbraw/zinc/43/45/66/556434566.db2.gz LWFKFMKCVIMSFJ-OKILXGFUSA-N 1 1 428.602 4.665 50 0 IJAAMO Cc1c(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003729 556434568 /nfs/dbraw/zinc/43/45/68/556434568.db2.gz LWFKFMKCVIMSFJ-OKILXGFUSA-N 1 1 428.602 4.665 50 0 IJAAMO Cc1ccccc1C[N@H+](C)Cn1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1=S ZINC000013069214 556452840 /nfs/dbraw/zinc/45/28/40/556452840.db2.gz GDUVHDAXDXJTER-UHFFFAOYSA-N 1 1 445.610 4.536 50 0 IJAAMO Cc1ccccc1C[N@@H+](C)Cn1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1=S ZINC000013069214 556452842 /nfs/dbraw/zinc/45/28/42/556452842.db2.gz GDUVHDAXDXJTER-UHFFFAOYSA-N 1 1 445.610 4.536 50 0 IJAAMO COc1ccc(-c2noc(C[NH+]3CCC(CCc4ccccc4)CC3)n2)c(OC)c1OC ZINC000014970707 556467173 /nfs/dbraw/zinc/46/71/73/556467173.db2.gz VUXHUQWCYIPUSH-UHFFFAOYSA-N 1 1 437.540 4.607 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029483765 556476575 /nfs/dbraw/zinc/47/65/75/556476575.db2.gz JDBGSVKWDGTJBV-QHCPKHFHSA-N 1 1 429.520 4.505 50 0 IJAAMO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015003929 556480967 /nfs/dbraw/zinc/48/09/67/556480967.db2.gz IJQIGFDPFMQBDC-VWLOTQADSA-N 1 1 445.588 4.832 50 0 IJAAMO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015003929 556480970 /nfs/dbraw/zinc/48/09/70/556480970.db2.gz IJQIGFDPFMQBDC-VWLOTQADSA-N 1 1 445.588 4.832 50 0 IJAAMO COc1ccc2c(C[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)C3CC3)cc(=O)oc2c1 ZINC000015036468 556489489 /nfs/dbraw/zinc/48/94/89/556489489.db2.gz ZTZYVDADWDJJBG-UHFFFAOYSA-N 1 1 431.435 4.576 50 0 IJAAMO Cc1nn(C)c(Cl)c1CN(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015072839 556497439 /nfs/dbraw/zinc/49/74/39/556497439.db2.gz HHSNDCBPNGIBMZ-GOSISDBHSA-N 1 1 442.957 4.787 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc(OC)c1 ZINC000015077473 556499586 /nfs/dbraw/zinc/49/95/86/556499586.db2.gz OQQZZTVBFIPUMC-QGZVFWFLSA-N 1 1 448.510 4.936 50 0 IJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860437 556558800 /nfs/dbraw/zinc/55/88/00/556558800.db2.gz YIZPSIAFIIQJCR-GOSISDBHSA-N 1 1 428.916 4.613 50 0 IJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1Br ZINC000015946347 556567398 /nfs/dbraw/zinc/56/73/98/556567398.db2.gz SZITYLYJNWNTNF-QGZVFWFLSA-N 1 1 436.375 4.715 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947159 556567994 /nfs/dbraw/zinc/56/79/94/556567994.db2.gz VZQGYLZXDXEXJU-IBGZPJMESA-N 1 1 439.562 4.836 50 0 IJAAMO CCOc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](CC)C3 ZINC000015947254 556568064 /nfs/dbraw/zinc/56/80/64/556568064.db2.gz RVHYRTPRLSJIPL-KRWDZBQOSA-N 1 1 436.375 4.716 50 0 IJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000016045339 556579268 /nfs/dbraw/zinc/57/92/68/556579268.db2.gz YUKDZJACLOCLAY-NRFANRHFSA-N 1 1 428.410 4.904 50 0 IJAAMO COc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000016247902 556594086 /nfs/dbraw/zinc/59/40/86/556594086.db2.gz CBUQOFTVUASVPP-UHFFFAOYSA-N 1 1 432.589 4.787 50 0 IJAAMO CC(C)CCN1CC[C@H]([N@@H+]2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000039509773 556629634 /nfs/dbraw/zinc/62/96/34/556629634.db2.gz YSAUPWXIHXWENX-VPUSJEBWSA-N 1 1 425.661 4.792 50 0 IJAAMO CC(C)CCN1CC[C@H]([N@H+]2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000039509773 556629637 /nfs/dbraw/zinc/62/96/37/556629637.db2.gz YSAUPWXIHXWENX-VPUSJEBWSA-N 1 1 425.661 4.792 50 0 IJAAMO COc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@H]2C)c1 ZINC000096600550 556761589 /nfs/dbraw/zinc/76/15/89/556761589.db2.gz PRAKJIZVYUUZDJ-PDMVANRTSA-N 1 1 438.612 4.520 50 0 biogenic IJAAMO O=C(c1ccc(Br)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720559 556876381 /nfs/dbraw/zinc/87/63/81/556876381.db2.gz PSXJVZIJHADYKP-UHFFFAOYSA-N 1 1 425.326 4.590 50 0 IJAAMO COc1ccccc1[C@H]1[NH+]=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000020345702 557008667 /nfs/dbraw/zinc/00/86/67/557008667.db2.gz INECUPANMLATPL-DEOSSOPVSA-N 1 1 443.551 4.550 50 0 IJAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1C ZINC000046046125 557025728 /nfs/dbraw/zinc/02/57/28/557025728.db2.gz RRTCHGQYVMYCJE-UHFFFAOYSA-N 1 1 445.563 4.895 50 0 IJAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1C ZINC000046046125 557025730 /nfs/dbraw/zinc/02/57/30/557025730.db2.gz RRTCHGQYVMYCJE-UHFFFAOYSA-N 1 1 445.563 4.895 50 0 IJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccc3Cl)n2)c(OC)c1 ZINC000023186801 557071864 /nfs/dbraw/zinc/07/18/64/557071864.db2.gz LHOPRFXGNQIEKL-ZDUSSCGKSA-N 1 1 431.945 4.770 50 0 IJAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCCSCc1ccc(Br)s1 ZINC000049581177 557116224 /nfs/dbraw/zinc/11/62/24/557116224.db2.gz RLAKHCQQHUINGM-CQSZACIVSA-N 1 1 427.433 4.553 50 0 IJAAMO O=C(c1c(Cl)nc2sccn21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025326165 557204149 /nfs/dbraw/zinc/20/41/49/557204149.db2.gz KMRLAEDGWNPRIZ-UHFFFAOYSA-N 1 1 436.968 4.597 50 0 IJAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000026120963 557235148 /nfs/dbraw/zinc/23/51/48/557235148.db2.gz FTHGTCLIIZZABT-UHFFFAOYSA-N 1 1 434.584 4.874 50 0 IJAAMO O=C1C[C@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100219443 557370916 /nfs/dbraw/zinc/37/09/16/557370916.db2.gz OOHUTZJTXBMHHW-IBGZPJMESA-N 1 1 436.861 4.870 50 0 IJAAMO Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1C ZINC000023844119 557375909 /nfs/dbraw/zinc/37/59/09/557375909.db2.gz LKAXNIXBZBZXJO-ATIYNZHBSA-N 1 1 445.588 4.955 50 0 IJAAMO Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1C ZINC000023844119 557375911 /nfs/dbraw/zinc/37/59/11/557375911.db2.gz LKAXNIXBZBZXJO-ATIYNZHBSA-N 1 1 445.588 4.955 50 0 IJAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022916 557391499 /nfs/dbraw/zinc/39/14/99/557391499.db2.gz SXLQNSIIEHMBJZ-RUZDIDTESA-N 1 1 449.620 4.516 50 0 IJAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105715591 557510022 /nfs/dbraw/zinc/51/00/22/557510022.db2.gz JGGBCVUNYOKBQR-VLIAUNLRSA-N 1 1 445.441 4.732 50 0 IJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105715591 557510025 /nfs/dbraw/zinc/51/00/25/557510025.db2.gz JGGBCVUNYOKBQR-VLIAUNLRSA-N 1 1 445.441 4.732 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000000843532 557811235 /nfs/dbraw/zinc/81/12/35/557811235.db2.gz VZADEPCNSULOFT-RPBOFIJWSA-N 1 1 438.487 4.508 50 0 IJAAMO C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015947 563143020 /nfs/dbraw/zinc/14/30/20/563143020.db2.gz NMEGQXPTZNDYOB-WMZHIEFXSA-N 1 1 426.630 4.632 50 0 IJAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000023316486 568618186 /nfs/dbraw/zinc/61/81/86/568618186.db2.gz OXWMMCJOPTUKDW-LJQANCHMSA-N 1 1 434.584 4.993 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000015681414 568806630 /nfs/dbraw/zinc/80/66/30/568806630.db2.gz AOHINFKJOGCKTR-JOCHJYFZSA-N 1 1 433.600 4.664 50 0 IJAAMO O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085874859 568837960 /nfs/dbraw/zinc/83/79/60/568837960.db2.gz PWTXOOFLGULREE-UKILVPOCSA-N 1 1 431.580 4.601 50 0 biogenic IJAAMO CSc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378513 568886270 /nfs/dbraw/zinc/88/62/70/568886270.db2.gz DKWKHBRFMMYLFT-XMMPIXPASA-N 1 1 428.598 4.515 50 0 IJAAMO CSc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378513 568886273 /nfs/dbraw/zinc/88/62/73/568886273.db2.gz DKWKHBRFMMYLFT-XMMPIXPASA-N 1 1 428.598 4.515 50 0 IJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991250 568941734 /nfs/dbraw/zinc/94/17/34/568941734.db2.gz KWNAYCFPKCAJOF-VWLOTQADSA-N 1 1 449.595 4.845 50 0 IJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991250 568941736 /nfs/dbraw/zinc/94/17/36/568941736.db2.gz KWNAYCFPKCAJOF-VWLOTQADSA-N 1 1 449.595 4.845 50 0 IJAAMO Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)cs1 ZINC000064669965 568943447 /nfs/dbraw/zinc/94/34/47/568943447.db2.gz UEUXZJAKERADFS-UHFFFAOYSA-N 1 1 447.670 4.881 50 0 IJAAMO C[NH+]1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746093 568949350 /nfs/dbraw/zinc/94/93/50/568949350.db2.gz VWZIQPZNYDYJRI-UHFFFAOYSA-N 1 1 445.036 4.998 50 0 IJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102590 568952718 /nfs/dbraw/zinc/95/27/18/568952718.db2.gz STGJYJZOKKCHLW-NRFANRHFSA-N 1 1 443.902 4.650 50 0 IJAAMO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@H](O)COC(C)C)n2)cc1Cl ZINC000036147448 568962537 /nfs/dbraw/zinc/96/25/37/568962537.db2.gz DROWHLCSHQIADC-NRFANRHFSA-N 1 1 443.975 4.529 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146357 568962557 /nfs/dbraw/zinc/96/25/57/568962557.db2.gz GJEGMAMBLPROLE-PMACEKPBSA-N 1 1 448.966 4.650 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCC ZINC000036304879 568994794 /nfs/dbraw/zinc/99/47/94/568994794.db2.gz CIDVVVLVOPKGBZ-HSZRJFAPSA-N 1 1 437.584 4.891 50 0 IJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346726 569081345 /nfs/dbraw/zinc/08/13/45/569081345.db2.gz CVLMCRTVGMIXQQ-OAQYLSRUSA-N 1 1 427.495 4.987 50 0 IJAAMO CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000065026935 569090150 /nfs/dbraw/zinc/09/01/50/569090150.db2.gz DQHJVSKCESHTMF-HXUWFJFHSA-N 1 1 433.596 4.503 50 0 IJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063034 569097799 /nfs/dbraw/zinc/09/77/99/569097799.db2.gz GAGSGFOKYKWWMC-UHFFFAOYSA-N 1 1 444.560 4.643 50 0 IJAAMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000170600586 569142756 /nfs/dbraw/zinc/14/27/56/569142756.db2.gz COENHJVBZGFGDJ-UHFFFAOYSA-N 1 1 431.565 4.837 50 0 IJAAMO CCC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000089941796 569168448 /nfs/dbraw/zinc/16/84/48/569168448.db2.gz WJSRMFKUMIJTOO-UHFFFAOYSA-N 1 1 449.378 4.746 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017042605 569171625 /nfs/dbraw/zinc/17/16/25/569171625.db2.gz YWDLDWKCYQOIRC-UHFFFAOYSA-N 1 1 437.547 4.953 50 0 IJAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000011667761 569188510 /nfs/dbraw/zinc/18/85/10/569188510.db2.gz MPTNNUSEVMQEPH-UHFFFAOYSA-N 1 1 435.549 4.658 50 0 IJAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000011667761 569188511 /nfs/dbraw/zinc/18/85/11/569188511.db2.gz MPTNNUSEVMQEPH-UHFFFAOYSA-N 1 1 435.549 4.658 50 0 IJAAMO CC(=O)Nc1cccc([C@H](C)OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC000252516102 569189138 /nfs/dbraw/zinc/18/91/38/569189138.db2.gz QCRINRPYCNDIIK-ONGXBYRLSA-N 1 1 434.458 4.560 50 0 IJAAMO O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191853 569328160 /nfs/dbraw/zinc/32/81/60/569328160.db2.gz KXKYRAQIFPOUNP-UKILVPOCSA-N 1 1 431.580 4.601 50 0 biogenic IJAAMO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000019880257 569331600 /nfs/dbraw/zinc/33/16/00/569331600.db2.gz VNRUTIFIWNEGGV-XMMPIXPASA-N 1 1 449.620 4.963 50 0 IJAAMO CCOc1ccc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275699 569388417 /nfs/dbraw/zinc/38/84/17/569388417.db2.gz RPOHUZMGBBWSRU-DEOSSOPVSA-N 1 1 433.596 4.815 50 0 IJAAMO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002939951 569426490 /nfs/dbraw/zinc/42/64/90/569426490.db2.gz MTGPWYGMBJKKGT-UHFFFAOYSA-N 1 1 426.516 4.630 50 0 IJAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000230195741 569440014 /nfs/dbraw/zinc/44/00/14/569440014.db2.gz DLUOLNUWOQNETR-JPYJTQIMSA-N 1 1 441.934 4.794 50 0 IJAAMO CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546421 569463586 /nfs/dbraw/zinc/46/35/86/569463586.db2.gz USNPFCJGWKTDET-JOCHJYFZSA-N 1 1 439.581 4.637 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)Cc1ccccc1 ZINC000008912700 569485148 /nfs/dbraw/zinc/48/51/48/569485148.db2.gz DIFBJMJDAPDXTR-UHFFFAOYSA-N 1 1 436.625 4.929 50 0 IJAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3nc(N4CCCCC4)ncc3Cl)cc2)C1 ZINC000040145529 569492183 /nfs/dbraw/zinc/49/21/83/569492183.db2.gz HLHNBRYOXFSKLM-QGZVFWFLSA-N 1 1 427.980 4.605 50 0 IJAAMO CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000009309778 569521659 /nfs/dbraw/zinc/52/16/59/569521659.db2.gz YVPGWSJMYWZOBR-JWQCQUIFSA-N 1 1 437.503 4.593 50 0 IJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009385869 569528474 /nfs/dbraw/zinc/52/84/74/569528474.db2.gz VBFAVCPEXDJPQA-OAQYLSRUSA-N 1 1 449.595 4.921 50 0 IJAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[N@@H+]1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000009408736 569530634 /nfs/dbraw/zinc/53/06/34/569530634.db2.gz AWYXKHMGPIPJSC-GOTSBHOMSA-N 1 1 431.001 4.719 50 0 IJAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000010433965 569582149 /nfs/dbraw/zinc/58/21/49/569582149.db2.gz KXOMQSQASJOGAI-QFIPXVFZSA-N 1 1 433.577 4.974 50 0 IJAAMO CCCNC(=O)N[C@@H](CC)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1C ZINC000036048517 519886278 /nfs/dbraw/zinc/88/62/78/519886278.db2.gz GSXJDICLAABWAD-WIOPSUGQSA-N 1 1 439.600 4.599 50 0 IJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000012859042 521175436 /nfs/dbraw/zinc/17/54/36/521175436.db2.gz HDWMZLOXEHLERX-KIKDMBQDSA-N 1 1 430.633 4.696 50 0 biogenic IJAAMO CCOc1ccccc1N1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000012537750 521517639 /nfs/dbraw/zinc/51/76/39/521517639.db2.gz CQDOXWKVXQQDDA-FQEVSTJZSA-N 1 1 447.019 4.732 50 0 IJAAMO COc1c2c(cc3c1[C@H]([C@@H]1c4ccccc4-c4ccc(C(C)=O)cc41)[N@@H+](C)CC3)OCO2 ZINC000012660620 521887513 /nfs/dbraw/zinc/88/75/13/521887513.db2.gz LQTAEKCRFQHJPA-JWQCQUIFSA-N 1 1 427.500 4.968 50 0 biogenic IJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)cc1 ZINC000012589463 521928183 /nfs/dbraw/zinc/92/81/83/521928183.db2.gz YZUYPRHMFSTVTH-GOSISDBHSA-N 1 1 438.499 4.867 50 0 IJAAMO C[NH+](C)[C@@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000022381545 522011887 /nfs/dbraw/zinc/01/18/87/522011887.db2.gz QNSAXLFDWOWIKI-NRFANRHFSA-N 1 1 429.520 4.953 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c(OC)c1 ZINC000042475848 522792060 /nfs/dbraw/zinc/79/20/60/522792060.db2.gz XUTHZNMWCPORAD-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036041085 523045935 /nfs/dbraw/zinc/04/59/35/523045935.db2.gz BVHVTYNPUQQIQO-DEOSSOPVSA-N 1 1 445.563 4.933 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036041085 523045945 /nfs/dbraw/zinc/04/59/45/523045945.db2.gz BVHVTYNPUQQIQO-DEOSSOPVSA-N 1 1 445.563 4.933 50 0 IJAAMO COc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3ccoc3)c2)cc1 ZINC000012212235 523391801 /nfs/dbraw/zinc/39/18/01/523391801.db2.gz BESDVCGJULKTTP-RGFVMQALSA-N 1 1 434.536 4.517 50 0 IJAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(Cc1ccc(OCCc2ccccn2)cc1)C1CCCC1 ZINC000012247348 523790115 /nfs/dbraw/zinc/79/01/15/523790115.db2.gz MVTORXXUUADGKU-SANMLTNESA-N 1 1 435.612 4.849 50 0 IJAAMO CC[C@H](C)[N@@H+](CCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)Cc1cccs1 ZINC000020580788 523935255 /nfs/dbraw/zinc/93/52/55/523935255.db2.gz JFHCYSKFEBTYRZ-SFHVURJKSA-N 1 1 447.626 4.599 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1OC ZINC000042437773 524029229 /nfs/dbraw/zinc/02/92/29/524029229.db2.gz HDAOXWFFMWZTCW-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538079 524108818 /nfs/dbraw/zinc/10/88/18/524108818.db2.gz SAUNFLILAJDPFT-OAQYLSRUSA-N 1 1 448.611 4.595 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927183 524236808 /nfs/dbraw/zinc/23/68/08/524236808.db2.gz NMQHKPFXAWJEOW-UHFFFAOYSA-N 1 1 430.961 4.510 50 0 IJAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n1 ZINC000012446538 524391923 /nfs/dbraw/zinc/39/19/23/524391923.db2.gz XLSSTYOVTRVCQO-FQEVSTJZSA-N 1 1 425.536 4.784 50 0 IJAAMO C[C@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022796602 525053734 /nfs/dbraw/zinc/05/37/34/525053734.db2.gz ZVJFLTLRDFVZJN-RDPSFJRHSA-N 1 1 440.657 4.627 50 0 IJAAMO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ccc3[nH]nnc3c2)C2CCCC2)CC1 ZINC000012316922 525108323 /nfs/dbraw/zinc/10/83/23/525108323.db2.gz PGBADHFPPXVBOY-UHFFFAOYSA-N 1 1 445.611 4.606 50 0 IJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850458 526040296 /nfs/dbraw/zinc/04/02/96/526040296.db2.gz LFCHEBWINLNLKS-CYBMUJFWSA-N 1 1 437.853 4.571 50 0 IJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850458 526040306 /nfs/dbraw/zinc/04/03/06/526040306.db2.gz LFCHEBWINLNLKS-CYBMUJFWSA-N 1 1 437.853 4.571 50 0 IJAAMO Cc1nn2c(nc(-c3ccccc3)cc2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020547360 526310486 /nfs/dbraw/zinc/31/04/86/526310486.db2.gz WVBKMUSODGHDJA-UHFFFAOYSA-N 1 1 427.552 4.506 50 0 IJAAMO Cc1nc(C)c(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000012199764 526690832 /nfs/dbraw/zinc/69/08/32/526690832.db2.gz JVALWBUPMYUNLI-OAQYLSRUSA-N 1 1 426.630 4.842 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000021367942 526747606 /nfs/dbraw/zinc/74/76/06/526747606.db2.gz XXGBNCVPURAWAT-QGZVFWFLSA-N 1 1 429.973 4.893 50 0 IJAAMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000036006867 527281636 /nfs/dbraw/zinc/28/16/36/527281636.db2.gz DDSZMGFUGNXOLF-UHFFFAOYSA-N 1 1 434.605 4.873 50 0 IJAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000012589444 527625694 /nfs/dbraw/zinc/62/56/94/527625694.db2.gz ISMTXRHJKZXTTB-DEOSSOPVSA-N 1 1 425.935 4.753 50 0 IJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667469 555791774 /nfs/dbraw/zinc/79/17/74/555791774.db2.gz NUQTWZICLHFEPO-NIYFSFCBSA-N 1 1 432.539 4.877 50 0 IJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667469 555791776 /nfs/dbraw/zinc/79/17/76/555791776.db2.gz NUQTWZICLHFEPO-NIYFSFCBSA-N 1 1 432.539 4.877 50 0 IJAAMO Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034684006 555819423 /nfs/dbraw/zinc/81/94/23/555819423.db2.gz XFTBMIKTALNAFV-UHFFFAOYSA-N 1 1 442.556 4.895 50 0 IJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCN2CCCC2=O)cc1 ZINC000002714397 556129370 /nfs/dbraw/zinc/12/93/70/556129370.db2.gz KVKALDQYVOMJRL-UHFFFAOYSA-N 1 1 425.536 4.820 50 0 IJAAMO c1c(C[N@@H+](CC2CC2)C[C@@H]2CCCO2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000011816293 556358775 /nfs/dbraw/zinc/35/87/75/556358775.db2.gz AMAROVSOZYBAKP-DEOSSOPVSA-N 1 1 445.563 4.718 50 0 IJAAMO COc1ccc(NC(=O)CCC2CC[NH+](Cc3csc(C(C)=O)c3)CC2)c(OC)c1 ZINC000011879976 556372117 /nfs/dbraw/zinc/37/21/17/556372117.db2.gz QZTZKSDPROSBQK-UHFFFAOYSA-N 1 1 430.570 4.599 50 0 IJAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2c1 ZINC000014124641 556373238 /nfs/dbraw/zinc/37/32/38/556373238.db2.gz JXVYMXYGUVHKIK-UHFFFAOYSA-N 1 1 445.563 4.591 50 0 IJAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2c1 ZINC000014124641 556373241 /nfs/dbraw/zinc/37/32/41/556373241.db2.gz JXVYMXYGUVHKIK-UHFFFAOYSA-N 1 1 445.563 4.591 50 0 IJAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccccc1C(F)(F)F ZINC000032851128 556431956 /nfs/dbraw/zinc/43/19/56/556431956.db2.gz BRVLSWVTGDIXJP-UHFFFAOYSA-N 1 1 433.499 4.676 50 0 IJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)Nc1cccc(C(C)C)c1 ZINC000032858385 556434827 /nfs/dbraw/zinc/43/48/27/556434827.db2.gz XSKVDAMZITXBKO-UHFFFAOYSA-N 1 1 440.613 4.679 50 0 IJAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000014994130 556476855 /nfs/dbraw/zinc/47/68/55/556476855.db2.gz NWYGSRYQCJRTHN-URXFXBBRSA-N 1 1 444.604 4.976 50 0 IJAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000015065569 556492761 /nfs/dbraw/zinc/49/27/61/556492761.db2.gz VGXZHYAPXWTSQI-UHFFFAOYSA-N 1 1 446.950 4.767 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccccc1C ZINC000015068776 556494098 /nfs/dbraw/zinc/49/40/98/556494098.db2.gz OOUUXRGIEMMYGF-OAHLLOKOSA-N 1 1 437.565 4.876 50 0 IJAAMO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305180 556550290 /nfs/dbraw/zinc/55/02/90/556550290.db2.gz NNENWIDOPVCUAQ-MHZLTWQESA-N 1 1 429.388 4.841 50 0 IJAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCC2)o1 ZINC000015860479 556558714 /nfs/dbraw/zinc/55/87/14/556558714.db2.gz BYEJPLBYSVTWRD-QGZVFWFLSA-N 1 1 431.330 4.972 50 0 IJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000016045340 556579228 /nfs/dbraw/zinc/57/92/28/556579228.db2.gz YUKDZJACLOCLAY-OAQYLSRUSA-N 1 1 428.410 4.904 50 0 IJAAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000016045619 556579540 /nfs/dbraw/zinc/57/95/40/556579540.db2.gz YBLYELWQGNFQJT-UHFFFAOYSA-N 1 1 431.536 4.580 50 0 IJAAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000016045619 556579544 /nfs/dbraw/zinc/57/95/44/556579544.db2.gz YBLYELWQGNFQJT-UHFFFAOYSA-N 1 1 431.536 4.580 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn21 ZINC000034833296 556583140 /nfs/dbraw/zinc/58/31/40/556583140.db2.gz URBJMIGQPUNEIU-IBGZPJMESA-N 1 1 433.600 4.688 50 0 IJAAMO COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036344378 556597065 /nfs/dbraw/zinc/59/70/65/556597065.db2.gz XETKOFQJZVPXEV-RUZDIDTESA-N 1 1 449.595 4.730 50 0 IJAAMO OCCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1 ZINC000042942828 556660093 /nfs/dbraw/zinc/66/00/93/556660093.db2.gz WPQLGTSFOAQLHI-LJQANCHMSA-N 1 1 445.485 4.846 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013592182 556701140 /nfs/dbraw/zinc/70/11/40/556701140.db2.gz WAAAXVMBZZKAGF-QTZVNIFKSA-N 1 1 443.934 4.643 50 0 IJAAMO O=c1c2c(nc3sc(SC/C=C\c4ccccc4)nn31)CC[N@@H+](Cc1ccccc1)C2 ZINC000206135710 556722492 /nfs/dbraw/zinc/72/24/92/556722492.db2.gz OJYDMOZWDIRRPC-GHXNOFRVSA-N 1 1 446.601 4.515 50 0 IJAAMO O=c1c2c(nc3sc(SC/C=C\c4ccccc4)nn31)CC[N@H+](Cc1ccccc1)C2 ZINC000206135710 556722495 /nfs/dbraw/zinc/72/24/95/556722495.db2.gz OJYDMOZWDIRRPC-GHXNOFRVSA-N 1 1 446.601 4.515 50 0 IJAAMO COc1c(C)c[nH+]c(Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2)c1C ZINC000033050319 556799468 /nfs/dbraw/zinc/79/94/68/556799468.db2.gz JHNDXEWDVMJKJB-UHFFFAOYSA-N 1 1 446.576 4.514 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3c(n2)sc2c3CCCC2)CC(C)C)cc1 ZINC000033069019 556838559 /nfs/dbraw/zinc/83/85/59/556838559.db2.gz CYLIEJRJYCAEEB-UHFFFAOYSA-N 1 1 425.598 4.692 50 0 IJAAMO Clc1ccc(-c2noc3ncnc(N4CC[NH+](Cc5ccccc5Cl)CC4)c32)cc1 ZINC000096793212 556845534 /nfs/dbraw/zinc/84/55/34/556845534.db2.gz BUKGFRIFANHYEG-UHFFFAOYSA-N 1 1 440.334 4.914 50 0 IJAAMO Cc1onc(-c2ccccc2)c1CN1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC000019834940 556927733 /nfs/dbraw/zinc/92/77/33/556927733.db2.gz CILZUKTZWMMIAE-UHFFFAOYSA-N 1 1 428.536 4.931 50 0 IJAAMO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000020193511 556996843 /nfs/dbraw/zinc/99/68/43/556996843.db2.gz PMNWGMNJCRIDQV-QHCPKHFHSA-N 1 1 434.609 4.739 50 0 IJAAMO C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181497 557045378 /nfs/dbraw/zinc/04/53/78/557045378.db2.gz RUQKSNZSRCZIAH-MBSDFSHPSA-N 1 1 439.556 4.928 50 0 IJAAMO C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181467 557045451 /nfs/dbraw/zinc/04/54/51/557045451.db2.gz KTDAXBSSWSYASF-MBSDFSHPSA-N 1 1 429.605 4.836 50 0 IJAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl ZINC000022931500 557050115 /nfs/dbraw/zinc/05/01/15/557050115.db2.gz UQUKYXZWELMGTO-UHFFFAOYSA-N 1 1 434.392 4.964 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000023339058 557085615 /nfs/dbraw/zinc/08/56/15/557085615.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 1 1 436.575 4.769 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1F ZINC000023339058 557085635 /nfs/dbraw/zinc/08/56/35/557085635.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 1 1 436.575 4.769 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1F ZINC000023339058 557085638 /nfs/dbraw/zinc/08/56/38/557085638.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 1 1 436.575 4.769 50 0 IJAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C(C)C)c4)CC3)n2)cc1 ZINC000049403450 557099291 /nfs/dbraw/zinc/09/92/91/557099291.db2.gz YSTCNXFRJSZZME-UHFFFAOYSA-N 1 1 434.540 4.687 50 0 IJAAMO CCc1cccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c1 ZINC000033326802 557108691 /nfs/dbraw/zinc/10/86/91/557108691.db2.gz QGXJVIHKMBMFQX-UHFFFAOYSA-N 1 1 430.556 4.754 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c(OC)c1 ZINC000033326695 557108812 /nfs/dbraw/zinc/10/88/12/557108812.db2.gz JAYVHJIRLKAULI-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c(OC)c1 ZINC000033326695 557108817 /nfs/dbraw/zinc/10/88/17/557108817.db2.gz JAYVHJIRLKAULI-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO CCc1c(C(=O)N2CC[NH+](CC)CC2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000096207153 557182885 /nfs/dbraw/zinc/18/28/85/557182885.db2.gz KUMDVWDRLJEHHV-UHFFFAOYSA-N 1 1 437.415 4.718 50 0 IJAAMO O=C(C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000024993269 557188334 /nfs/dbraw/zinc/18/83/34/557188334.db2.gz GQZJAAKKEAYNII-MHZLTWQESA-N 1 1 439.515 4.877 50 0 IJAAMO COCCN(C[C@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050256 557473892 /nfs/dbraw/zinc/47/38/92/557473892.db2.gz KNPDVXSJUPGDMJ-IFMALSPDSA-N 1 1 432.605 4.542 50 0 IJAAMO COCCOc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000107364977 557535589 /nfs/dbraw/zinc/53/55/89/557535589.db2.gz WDXPUOQDUUUXML-PGRDOPGGSA-N 1 1 445.991 4.740 50 0 IJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843534 557811311 /nfs/dbraw/zinc/81/13/11/557811311.db2.gz VZADEPCNSULOFT-JWQCQUIFSA-N 1 1 438.487 4.508 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1ccccc1F ZINC000008599093 562954569 /nfs/dbraw/zinc/95/45/69/562954569.db2.gz WQTWJANEHAGKTL-UHFFFAOYSA-N 1 1 440.906 4.723 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1ccccc1F ZINC000008599093 562954570 /nfs/dbraw/zinc/95/45/70/562954570.db2.gz WQTWJANEHAGKTL-UHFFFAOYSA-N 1 1 440.906 4.723 50 0 IJAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)CC2)c1 ZINC000023372893 568613343 /nfs/dbraw/zinc/61/33/43/568613343.db2.gz VYHQTRLWAVDUSN-XMMPIXPASA-N 1 1 431.546 4.925 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104982528 568622647 /nfs/dbraw/zinc/62/26/47/568622647.db2.gz BEWRGIBQGWZBAK-JWQCQUIFSA-N 1 1 444.575 4.739 50 0 IJAAMO Cc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000104983602 568623936 /nfs/dbraw/zinc/62/39/36/568623936.db2.gz XBINMZJAJIGERJ-DHIUTWEWSA-N 1 1 445.003 4.820 50 0 IJAAMO Cc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000104983077 568624006 /nfs/dbraw/zinc/62/40/06/568624006.db2.gz DONDXBBHMBSSHU-DNQXCXABSA-N 1 1 445.003 4.677 50 0 IJAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000015671336 568802853 /nfs/dbraw/zinc/80/28/53/568802853.db2.gz PZZCESYBAYTWGX-UHFFFAOYSA-N 1 1 437.569 4.546 50 0 IJAAMO CC[N@H+]1CCc2c(CNC(=O)NC34CC5CC(CC(C5)C3)C4)c(-n3cccc3)sc2C1 ZINC000015679542 568806129 /nfs/dbraw/zinc/80/61/29/568806129.db2.gz SLYDMGOHOSFENV-UHFFFAOYSA-N 1 1 438.641 4.685 50 0 IJAAMO COc1ccc(Nc2nc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc3occc32)cc1 ZINC000085651141 568831787 /nfs/dbraw/zinc/83/17/87/568831787.db2.gz ILKKBHFEVRRXFA-UHFFFAOYSA-N 1 1 444.535 4.832 50 0 IJAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026121188 568852260 /nfs/dbraw/zinc/85/22/60/568852260.db2.gz BYTZYYJPFFARJY-UHFFFAOYSA-N 1 1 426.948 4.713 50 0 IJAAMO C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016043268 568868477 /nfs/dbraw/zinc/86/84/77/568868477.db2.gz NXPZNUXKWLSULU-LUNWYWMZSA-N 1 1 448.522 4.642 50 0 biogenic IJAAMO C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016043268 568868479 /nfs/dbraw/zinc/86/84/79/568868479.db2.gz NXPZNUXKWLSULU-LUNWYWMZSA-N 1 1 448.522 4.642 50 0 biogenic IJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801033 568960757 /nfs/dbraw/zinc/96/07/57/568960757.db2.gz TXXDDBKWHFVCFF-UHFFFAOYSA-N 1 1 445.567 4.915 50 0 IJAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1OC ZINC000064800942 568961478 /nfs/dbraw/zinc/96/14/78/568961478.db2.gz DMWCOPLCBRVQCD-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146412 568962863 /nfs/dbraw/zinc/96/28/63/568962863.db2.gz ARVIHJOVPBUPGR-RTWAWAEBSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146412 568962864 /nfs/dbraw/zinc/96/28/64/568962864.db2.gz ARVIHJOVPBUPGR-RTWAWAEBSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000169677304 568989657 /nfs/dbraw/zinc/98/96/57/568989657.db2.gz DONDXBBHMBSSHU-RPWUZVMVSA-N 1 1 445.003 4.677 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@@H](O)COCC ZINC000169679762 568991012 /nfs/dbraw/zinc/99/10/12/568991012.db2.gz ZLLNUXKKDNXHKA-HSZRJFAPSA-N 1 1 437.584 4.587 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036302966 568993568 /nfs/dbraw/zinc/99/35/68/568993568.db2.gz FEASKKKMLHQQQW-JOCHJYFZSA-N 1 1 435.568 4.589 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036302966 568993570 /nfs/dbraw/zinc/99/35/70/568993570.db2.gz FEASKKKMLHQQQW-JOCHJYFZSA-N 1 1 435.568 4.589 50 0 IJAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303641 568995160 /nfs/dbraw/zinc/99/51/60/568995160.db2.gz QQSPFTNHNUPWFX-NRFANRHFSA-N 1 1 443.975 4.846 50 0 IJAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303641 568995162 /nfs/dbraw/zinc/99/51/62/568995162.db2.gz QQSPFTNHNUPWFX-NRFANRHFSA-N 1 1 443.975 4.846 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308690 568995597 /nfs/dbraw/zinc/99/55/97/568995597.db2.gz GLQBRJMIPMRNKY-HSZRJFAPSA-N 1 1 435.568 4.582 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341225 569079146 /nfs/dbraw/zinc/07/91/46/569079146.db2.gz SBIOFNVOLKZEDO-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341225 569079147 /nfs/dbraw/zinc/07/91/47/569079147.db2.gz SBIOFNVOLKZEDO-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCC ZINC000036345934 569080888 /nfs/dbraw/zinc/08/08/88/569080888.db2.gz BMRGXNPHMJOYHW-HSZRJFAPSA-N 1 1 437.584 4.891 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025600 569090770 /nfs/dbraw/zinc/09/07/70/569090770.db2.gz SEPZAIZJOFUPMC-FQEVSTJZSA-N 1 1 435.616 4.883 50 0 IJAAMO Fc1ccc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c(Cl)c1 ZINC000065257952 569124208 /nfs/dbraw/zinc/12/42/08/569124208.db2.gz LXRSNHZMEMGGDQ-UHFFFAOYSA-N 1 1 427.911 4.514 50 0 IJAAMO Fc1ccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c(Cl)c1 ZINC000065257952 569124210 /nfs/dbraw/zinc/12/42/10/569124210.db2.gz LXRSNHZMEMGGDQ-UHFFFAOYSA-N 1 1 427.911 4.514 50 0 IJAAMO Cc1cccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)c1 ZINC000002137273 569185066 /nfs/dbraw/zinc/18/50/66/569185066.db2.gz CLNSIKDNQYFEGP-ZHALLVOQSA-N 1 1 433.807 4.702 50 0 IJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000012862790 569304994 /nfs/dbraw/zinc/30/49/94/569304994.db2.gz ZEJRMEFSBLSGKA-ABHRVJCYSA-N 1 1 441.999 4.714 50 0 biogenic IJAAMO CCCN1CC[NH+]([C@@H](C)CCCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C2CC2)CC1 ZINC000078950814 569320508 /nfs/dbraw/zinc/32/05/08/569320508.db2.gz IUQMNWSVELATIE-IBGZPJMESA-N 1 1 445.051 4.551 50 0 IJAAMO COc1ccc2[nH]c(-c3ccccc3)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793421 569329335 /nfs/dbraw/zinc/32/93/35/569329335.db2.gz ZRTRXYIFIKUFGH-UHFFFAOYSA-N 1 1 439.559 4.522 50 0 IJAAMO COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793421 569329337 /nfs/dbraw/zinc/32/93/37/569329337.db2.gz ZRTRXYIFIKUFGH-UHFFFAOYSA-N 1 1 439.559 4.522 50 0 IJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)nc2c(C)c1 ZINC000020383901 569362874 /nfs/dbraw/zinc/36/28/74/569362874.db2.gz YUPSUDZZURFWGO-HXUWFJFHSA-N 1 1 442.673 4.900 50 0 IJAAMO CCCN(C(=O)c1coc(-c2csc(C)n2)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000095397202 569363688 /nfs/dbraw/zinc/36/36/88/569363688.db2.gz BLRLQKPTJQUGCA-UHFFFAOYSA-N 1 1 439.585 4.640 50 0 IJAAMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405892 569364603 /nfs/dbraw/zinc/36/46/03/569364603.db2.gz UFYYIVLOCRFPAZ-ILBGXUMGSA-N 1 1 445.588 4.817 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 ZINC000002915129 569425085 /nfs/dbraw/zinc/42/50/85/569425085.db2.gz KXNGOFYAYSRYLX-JWQCQUIFSA-N 1 1 438.487 4.508 50 0 IJAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057327427 569431122 /nfs/dbraw/zinc/43/11/22/569431122.db2.gz FUNYTJKXJQXORJ-DEOSSOPVSA-N 1 1 434.561 4.650 50 0 IJAAMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)ccc1OC(F)F ZINC000003390735 569449209 /nfs/dbraw/zinc/44/92/09/569449209.db2.gz JTAHTENRNIKJAW-NRFANRHFSA-N 1 1 443.490 4.835 50 0 IJAAMO Cc1c(Nc2ccc(CNCC3([NH+](C)C)CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000038344819 569462540 /nfs/dbraw/zinc/46/25/40/569462540.db2.gz GLVDYYMDLLSICC-UHFFFAOYSA-N 1 1 447.627 4.582 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccccc2C)o1)Cc1ccccc1 ZINC000009115475 569502757 /nfs/dbraw/zinc/50/27/57/569502757.db2.gz SDIJYCVBXDYXGY-HKBQPEDESA-N 1 1 438.593 4.538 50 0 IJAAMO Clc1cccc(-c2noc([C@@H]3CC34CC[NH+](Cc3nc(-c5ccco5)no3)CC4)n2)c1 ZINC000069652390 569511482 /nfs/dbraw/zinc/51/14/82/569511482.db2.gz NFEPIBORBCULLI-INIZCTEOSA-N 1 1 437.887 4.803 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3sccc3C)cc2)cc1 ZINC000009464163 569537618 /nfs/dbraw/zinc/53/76/18/569537618.db2.gz XEURLINADQLYOL-UHFFFAOYSA-N 1 1 437.565 4.778 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3sccc3C)cc2)cc1 ZINC000009464163 569537619 /nfs/dbraw/zinc/53/76/19/569537619.db2.gz XEURLINADQLYOL-UHFFFAOYSA-N 1 1 437.565 4.778 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000009861986 569571966 /nfs/dbraw/zinc/57/19/66/569571966.db2.gz JXHRYHWWFNUIIJ-FTJBHMTQSA-N 1 1 442.563 4.549 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000009861986 569571967 /nfs/dbraw/zinc/57/19/67/569571967.db2.gz JXHRYHWWFNUIIJ-FTJBHMTQSA-N 1 1 442.563 4.549 50 0 IJAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCc3ccccc3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669902 569587506 /nfs/dbraw/zinc/58/75/06/569587506.db2.gz JLNGRBBCDIDRTQ-SHQCIBLASA-N 1 1 444.575 4.974 50 0 IJAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](C/C=C\c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000096803803 132225737 /nfs/dbraw/zinc/22/57/37/132225737.db2.gz OCUFNPCUIZCQRI-TWGQIWQCSA-N 1 1 441.554 4.988 50 0 IJAAMO CC(=O)c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000012706862 518275060 /nfs/dbraw/zinc/27/50/60/518275060.db2.gz PYKQBEAVHXRMMZ-HSZRJFAPSA-N 1 1 444.616 4.983 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012386571 519835956 /nfs/dbraw/zinc/83/59/56/519835956.db2.gz BZMDCSRRVSLVEA-HSZRJFAPSA-N 1 1 434.628 4.546 50 0 IJAAMO CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012709433 521322679 /nfs/dbraw/zinc/32/26/79/521322679.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 1 1 428.592 4.757 50 0 IJAAMO CCN(Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012441064 521394990 /nfs/dbraw/zinc/39/49/90/521394990.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CCN(Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012441064 521394998 /nfs/dbraw/zinc/39/49/98/521394998.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012441064 521395005 /nfs/dbraw/zinc/39/50/05/521395005.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012441064 521395014 /nfs/dbraw/zinc/39/50/14/521395014.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2)CC1 ZINC000035536342 521688042 /nfs/dbraw/zinc/68/80/42/521688042.db2.gz BCDFPSOSIGCMLW-UHFFFAOYSA-N 1 1 438.959 4.693 50 0 IJAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012433288 522582236 /nfs/dbraw/zinc/58/22/36/522582236.db2.gz KRZNFDCOLWYTAJ-OAQYLSRUSA-N 1 1 431.536 4.749 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c(OC)c1 ZINC000042475846 522792392 /nfs/dbraw/zinc/79/23/92/522792392.db2.gz XUTHZNMWCPORAD-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCCCC3)n2)cc1 ZINC000021659404 523084881 /nfs/dbraw/zinc/08/48/81/523084881.db2.gz DGAPRXWOIJIYAT-UHFFFAOYSA-N 1 1 436.943 4.897 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2cn(C)nc2C)cc1F ZINC000012442039 523243619 /nfs/dbraw/zinc/24/36/19/523243619.db2.gz ZVNHZZVJASZKIK-UHFFFAOYSA-N 1 1 433.531 4.669 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2cn(C)nc2C)cc1F ZINC000012442039 523243631 /nfs/dbraw/zinc/24/36/31/523243631.db2.gz ZVNHZZVJASZKIK-UHFFFAOYSA-N 1 1 433.531 4.669 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cc1 ZINC000012212832 523406862 /nfs/dbraw/zinc/40/68/62/523406862.db2.gz LCJKIRWXYIGIAU-YZXKXSJDSA-N 1 1 439.625 4.958 50 0 IJAAMO C[N@@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)C1CCCCC1 ZINC000021822156 523556127 /nfs/dbraw/zinc/55/61/27/523556127.db2.gz VYERNELSUHTBBC-UHFFFAOYSA-N 1 1 429.156 4.625 50 0 IJAAMO CCc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4CC)CC3)sc2c1 ZINC000020681164 524060189 /nfs/dbraw/zinc/06/01/89/524060189.db2.gz DGAZLURKLHCUMY-OAQYLSRUSA-N 1 1 442.673 4.846 50 0 IJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)c1 ZINC000036031693 524098141 /nfs/dbraw/zinc/09/81/41/524098141.db2.gz YBFRRKLLNPGKMD-XMMPIXPASA-N 1 1 433.548 4.783 50 0 IJAAMO Cc1cccc(-c2ncc(C[NH+]3CCC(O)(Cc4cc(-c5ccccc5)no4)CC3)cn2)c1 ZINC000012456168 524122778 /nfs/dbraw/zinc/12/27/78/524122778.db2.gz PZMARPGCQAWCPR-UHFFFAOYSA-N 1 1 440.547 4.677 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012112104 524222245 /nfs/dbraw/zinc/22/22/45/524222245.db2.gz GAQXFRYMVMGMBT-QGZVFWFLSA-N 1 1 444.959 4.751 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1Cl ZINC000012208680 524482490 /nfs/dbraw/zinc/48/24/90/524482490.db2.gz GKLNHCWIUUAMMN-HNNXBMFYSA-N 1 1 437.009 4.502 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc(C)[nH+]2)cc1 ZINC000021795354 525322624 /nfs/dbraw/zinc/32/26/24/525322624.db2.gz FPBVRYCYPXTQDB-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000012685248 526292538 /nfs/dbraw/zinc/29/25/38/526292538.db2.gz LDRFKPFUBBNWMW-OAQYLSRUSA-N 1 1 448.567 4.598 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000012715056 526728822 /nfs/dbraw/zinc/72/88/22/526728822.db2.gz NIWIBCLDRHIBOI-MRXNPFEDSA-N 1 1 428.920 4.673 50 0 IJAAMO O=C(NCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869951 526736967 /nfs/dbraw/zinc/73/69/67/526736967.db2.gz XGUUEOUGZUVNIB-AZGAKELHSA-N 1 1 445.994 4.520 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458367 527529440 /nfs/dbraw/zinc/52/94/40/527529440.db2.gz ZIQNWUQJZJMKEF-GOSISDBHSA-N 1 1 432.549 4.807 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458367 527529446 /nfs/dbraw/zinc/52/94/46/527529446.db2.gz ZIQNWUQJZJMKEF-GOSISDBHSA-N 1 1 432.549 4.807 50 0 IJAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000009531123 535779627 /nfs/dbraw/zinc/77/96/27/535779627.db2.gz ZAMSRJZALUUYQH-UHFFFAOYSA-N 1 1 441.535 4.674 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccoc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681625 555814995 /nfs/dbraw/zinc/81/49/95/555814995.db2.gz NYTRDVSZHUBOCC-UHFFFAOYSA-N 1 1 444.457 4.658 50 0 IJAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccncc4)CC3)nc2)cc1 ZINC000034681631 555815027 /nfs/dbraw/zinc/81/50/27/555815027.db2.gz MNQRMHNXKUQVNL-UHFFFAOYSA-N 1 1 443.595 4.739 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3cccnc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034683953 555819432 /nfs/dbraw/zinc/81/94/32/555819432.db2.gz FIPZEXIHRJIJOY-UHFFFAOYSA-N 1 1 435.593 4.558 50 0 IJAAMO COc1cccc(C[N@H+]2C[C@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034740826 555884006 /nfs/dbraw/zinc/88/40/06/555884006.db2.gz SVBWNJWVRAKOJD-RCZVLFRGSA-N 1 1 426.576 4.943 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000034898715 555928271 /nfs/dbraw/zinc/92/82/71/555928271.db2.gz AZBXTVAVBCOFSR-HKUYNNGSSA-N 1 1 448.533 4.626 50 0 IJAAMO CCOc1ccc(NC(=O)C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009972199 556319505 /nfs/dbraw/zinc/31/95/05/556319505.db2.gz AZEDYUSRDWKTJM-UHFFFAOYSA-N 1 1 444.575 4.672 50 0 IJAAMO O=C(c1n[nH]c2ccccc21)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011662288 556343926 /nfs/dbraw/zinc/34/39/26/556343926.db2.gz DMGQLIWOWYMIKX-OAQYLSRUSA-N 1 1 431.584 4.645 50 0 IJAAMO O=C(c1[nH]nc2ccccc21)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011662288 556343928 /nfs/dbraw/zinc/34/39/28/556343928.db2.gz DMGQLIWOWYMIKX-OAQYLSRUSA-N 1 1 431.584 4.645 50 0 IJAAMO O=C(c1[nH]nc2ccccc21)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011662288 556343932 /nfs/dbraw/zinc/34/39/32/556343932.db2.gz DMGQLIWOWYMIKX-OAQYLSRUSA-N 1 1 431.584 4.645 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccco1 ZINC000011913361 556375983 /nfs/dbraw/zinc/37/59/83/556375983.db2.gz SSUQYQIQAQRDSR-OAHLLOKOSA-N 1 1 427.526 4.693 50 0 IJAAMO CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933696 556377202 /nfs/dbraw/zinc/37/72/02/556377202.db2.gz CMGGAJCRTYIQHR-HSZRJFAPSA-N 1 1 435.612 4.887 50 0 IJAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933696 556377206 /nfs/dbraw/zinc/37/72/06/556377206.db2.gz CMGGAJCRTYIQHR-HSZRJFAPSA-N 1 1 435.612 4.887 50 0 IJAAMO Cc1ccc(C)c(-n2cc(CN3CCC([N@H+]4CCC[C@H](O)C4)CC3)c(-c3ccccc3)n2)c1 ZINC000012056781 556394593 /nfs/dbraw/zinc/39/45/93/556394593.db2.gz LRYUOAJMZGOJPV-SANMLTNESA-N 1 1 444.623 4.577 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)c(OC)c1 ZINC000012072409 556396156 /nfs/dbraw/zinc/39/61/56/556396156.db2.gz TUVVABNSDRXQPE-HWYOBBEWSA-N 1 1 436.596 4.916 50 0 IJAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000022930694 556403999 /nfs/dbraw/zinc/40/39/99/556403999.db2.gz ZFSJHLZNGULZKQ-UHFFFAOYSA-N 1 1 425.882 4.505 50 0 IJAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029477719 556476044 /nfs/dbraw/zinc/47/60/44/556476044.db2.gz COWLSYOSDAFARZ-IAPPQJPRSA-N 1 1 428.576 4.532 50 0 IJAAMO COc1ccc(N[C@H]2CCC[N@H+](C3CCN(c4ccc(F)cc4C)CC3)C2)cc1OC ZINC000015063919 556491448 /nfs/dbraw/zinc/49/14/48/556491448.db2.gz PDKVZCBUOKCRFD-NRFANRHFSA-N 1 1 427.564 4.697 50 0 IJAAMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000013547120 556514210 /nfs/dbraw/zinc/51/42/10/556514210.db2.gz WFBLGAWKWZHJRC-UHFFFAOYSA-N 1 1 432.589 4.768 50 0 IJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860524 556558769 /nfs/dbraw/zinc/55/87/69/556558769.db2.gz GVAVQSQBMCHJIS-LJQANCHMSA-N 1 1 442.943 4.859 50 0 IJAAMO CCc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000033318546 556561445 /nfs/dbraw/zinc/56/14/45/556561445.db2.gz FBZQHIHOVMGDEV-UHFFFAOYSA-N 1 1 430.556 4.754 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000016000728 556572703 /nfs/dbraw/zinc/57/27/03/556572703.db2.gz UJXHMWBWBXEYSW-CBPXPLCBSA-N 1 1 448.950 4.779 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000016000728 556572705 /nfs/dbraw/zinc/57/27/05/556572705.db2.gz UJXHMWBWBXEYSW-CBPXPLCBSA-N 1 1 448.950 4.779 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146128 556593804 /nfs/dbraw/zinc/59/38/04/556593804.db2.gz WFKSSNIQALQFLW-YADHBBJMSA-N 1 1 448.966 4.650 50 0 IJAAMO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000055042220 556732670 /nfs/dbraw/zinc/73/26/70/556732670.db2.gz LXZRPQKTPRFWSN-RUZDIDTESA-N 1 1 425.532 4.747 50 0 IJAAMO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000055042220 556732673 /nfs/dbraw/zinc/73/26/73/556732673.db2.gz LXZRPQKTPRFWSN-RUZDIDTESA-N 1 1 425.532 4.747 50 0 IJAAMO c1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ccccn2)c1 ZINC000055252778 556738872 /nfs/dbraw/zinc/73/88/72/556738872.db2.gz WJYNYKYLGQDOCU-UHFFFAOYSA-N 1 1 429.612 4.924 50 0 IJAAMO O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000058229423 556774072 /nfs/dbraw/zinc/77/40/72/556774072.db2.gz RHEJUUXEBNPEKU-HXUWFJFHSA-N 1 1 432.486 4.699 50 0 IJAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032538 557025093 /nfs/dbraw/zinc/02/50/93/557025093.db2.gz FPZFFPYDWQMJMQ-UHFFFAOYSA-N 1 1 448.592 4.590 50 0 IJAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032538 557025094 /nfs/dbraw/zinc/02/50/94/557025094.db2.gz FPZFFPYDWQMJMQ-UHFFFAOYSA-N 1 1 448.592 4.590 50 0 IJAAMO C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181248 557045269 /nfs/dbraw/zinc/04/52/69/557045269.db2.gz LBBOTFUYMWJUOG-DVECYGJZSA-N 1 1 437.584 4.565 50 0 IJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000048289446 557054567 /nfs/dbraw/zinc/05/45/67/557054567.db2.gz JTHXZZKPQCQSJJ-FQEVSTJZSA-N 1 1 432.568 4.750 50 0 IJAAMO Cc1cc(C)c(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)c(C)c1 ZINC000101215329 557077433 /nfs/dbraw/zinc/07/74/33/557077433.db2.gz CQSIIYODDBKNHG-UHFFFAOYSA-N 1 1 430.687 4.510 50 0 IJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000023320339 557231569 /nfs/dbraw/zinc/23/15/69/557231569.db2.gz MCCBLRUQJQLRNH-SANMLTNESA-N 1 1 434.967 4.961 50 0 IJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1 ZINC000023328845 557338383 /nfs/dbraw/zinc/33/83/83/557338383.db2.gz PJJLVSBYBJFQTN-RUZDIDTESA-N 1 1 430.596 4.573 50 0 IJAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)n(C(C)(C)C)n1 ZINC000023330447 557340882 /nfs/dbraw/zinc/34/08/82/557340882.db2.gz GOPADPVDKZGBFA-VWLOTQADSA-N 1 1 430.596 4.802 50 0 IJAAMO CN(C)c1ccc(C=[NH+]Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCC4)cc1 ZINC000033618533 557422241 /nfs/dbraw/zinc/42/22/41/557422241.db2.gz QLKWXINIEMDSJO-UHFFFAOYSA-N 1 1 435.597 4.964 50 0 IJAAMO CC[N@H+](Cc1ccccc1)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009283105 562968868 /nfs/dbraw/zinc/96/88/68/562968868.db2.gz WEXBZFNAXBELQT-XMMPIXPASA-N 1 1 435.564 4.693 50 0 IJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000014994273 563017443 /nfs/dbraw/zinc/01/74/43/563017443.db2.gz KAEZUEKBXMPQOE-XMMPIXPASA-N 1 1 443.595 4.591 50 0 IJAAMO CCc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441001 563024960 /nfs/dbraw/zinc/02/49/60/563024960.db2.gz XPSIKVKQGXEMJM-IAPPQJPRSA-N 1 1 431.576 4.610 50 0 IJAAMO c1ccc(OCc2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000023374792 568613683 /nfs/dbraw/zinc/61/36/83/568613683.db2.gz FVSOMBDNJIKHPC-UHFFFAOYSA-N 1 1 440.547 4.556 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984459 568623107 /nfs/dbraw/zinc/62/31/07/568623107.db2.gz GJEGMAMBLPROLE-VQTJNVASSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984737 568623598 /nfs/dbraw/zinc/62/35/98/568623598.db2.gz MKQYXGGKXOWWQA-FGZHOGPDSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984737 568623599 /nfs/dbraw/zinc/62/35/99/568623599.db2.gz MKQYXGGKXOWWQA-FGZHOGPDSA-N 1 1 448.966 4.508 50 0 IJAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000015681413 568806680 /nfs/dbraw/zinc/80/66/80/568806680.db2.gz PAHSVFBMNOWOII-UHFFFAOYSA-N 1 1 441.579 4.532 50 0 IJAAMO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[N@@H+]4CCCC[C@H]4C)ccc3c2=O)c1 ZINC000011666917 568892202 /nfs/dbraw/zinc/89/22/02/568892202.db2.gz WGWDTMBBGUPPEA-WOJBJXKFSA-N 1 1 437.536 4.816 50 0 IJAAMO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCN(c3ccccc3)CC1)CCCC2 ZINC000054105750 568918657 /nfs/dbraw/zinc/91/86/57/568918657.db2.gz SABDIOHFHPBDQP-RUZDIDTESA-N 1 1 446.620 4.892 50 0 IJAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000089548079 568937153 /nfs/dbraw/zinc/93/71/53/568937153.db2.gz DLUOLNUWOQNETR-FDDCHVKYSA-N 1 1 441.934 4.794 50 0 IJAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065587 568945332 /nfs/dbraw/zinc/94/53/32/568945332.db2.gz XOKMEQOKHQIANC-GOSISDBHSA-N 1 1 439.531 4.799 50 0 IJAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065587 568945333 /nfs/dbraw/zinc/94/53/33/568945333.db2.gz XOKMEQOKHQIANC-GOSISDBHSA-N 1 1 439.531 4.799 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801556 568961483 /nfs/dbraw/zinc/96/14/83/568961483.db2.gz RWULSRFNEZPFRP-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000006753875 568974299 /nfs/dbraw/zinc/97/42/99/568974299.db2.gz JLOSUKYNZXAAGL-PKTZIBPZSA-N 1 1 430.976 4.731 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC ZINC000169680012 568990612 /nfs/dbraw/zinc/99/06/12/568990612.db2.gz UNRWHSBXEFTWLZ-RBBKRZOGSA-N 1 1 437.584 4.796 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@H](O)CC ZINC000036303054 568993558 /nfs/dbraw/zinc/99/35/58/568993558.db2.gz HAOXWJNQSRGYDH-JOCHJYFZSA-N 1 1 437.584 4.755 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@H](O)CC ZINC000036303054 568993559 /nfs/dbraw/zinc/99/35/59/568993559.db2.gz HAOXWJNQSRGYDH-JOCHJYFZSA-N 1 1 437.584 4.755 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304940 568994765 /nfs/dbraw/zinc/99/47/65/568994765.db2.gz KLLDYWPQWRMQCE-XMMPIXPASA-N 1 1 449.595 4.891 50 0 IJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821452 569077958 /nfs/dbraw/zinc/07/79/58/569077958.db2.gz QLLFPYXBZDQMDU-PMACEKPBSA-N 1 1 428.646 4.510 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341701 569078963 /nfs/dbraw/zinc/07/89/63/569078963.db2.gz QQFBUYQMSCCRLD-QFIPXVFZSA-N 1 1 441.959 4.521 50 0 IJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346248 569081019 /nfs/dbraw/zinc/08/10/19/569081019.db2.gz WZDZNYDGLFTFPS-JOCHJYFZSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346248 569081021 /nfs/dbraw/zinc/08/10/21/569081021.db2.gz WZDZNYDGLFTFPS-JOCHJYFZSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346247 569081236 /nfs/dbraw/zinc/08/12/36/569081236.db2.gz WZDZNYDGLFTFPS-QFIPXVFZSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346247 569081237 /nfs/dbraw/zinc/08/12/37/569081237.db2.gz WZDZNYDGLFTFPS-QFIPXVFZSA-N 1 1 441.547 4.722 50 0 IJAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348535 569081762 /nfs/dbraw/zinc/08/17/62/569081762.db2.gz DDGLAEBXHOFLRK-DEOSSOPVSA-N 1 1 436.552 4.908 50 0 IJAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348535 569081763 /nfs/dbraw/zinc/08/17/63/569081763.db2.gz DDGLAEBXHOFLRK-DEOSSOPVSA-N 1 1 436.552 4.908 50 0 IJAAMO CCCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257939 569124243 /nfs/dbraw/zinc/12/42/43/569124243.db2.gz IFVXCBQHKDOSAW-UHFFFAOYSA-N 1 1 445.489 4.815 50 0 IJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891099 569165727 /nfs/dbraw/zinc/16/57/27/569165727.db2.gz WOVOTASTWRZPLK-SBUREZEXSA-N 1 1 441.547 4.708 50 0 IJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016891213 569165785 /nfs/dbraw/zinc/16/57/85/569165785.db2.gz SGWJIDQWSNWDNV-GAJHUEQPSA-N 1 1 441.547 4.708 50 0 IJAAMO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711475 569189572 /nfs/dbraw/zinc/18/95/72/569189572.db2.gz SNFFDNCEKXOAHT-SVBPBHIXSA-N 1 1 442.603 4.968 50 0 IJAAMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+]3C[C@@H](C4CCCCC4)C[C@@H]23)cc(OC)c1OC ZINC000012660279 569304830 /nfs/dbraw/zinc/30/48/30/569304830.db2.gz DQQSJVFAXXWRKE-JBACZVJFSA-N 1 1 431.573 4.550 50 0 biogenic IJAAMO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[N@H+]1CCCC[C@@H]1CCO ZINC000095479063 569373647 /nfs/dbraw/zinc/37/36/47/569373647.db2.gz SAEDMNIMEGEWFI-LJQANCHMSA-N 1 1 432.520 4.955 50 0 IJAAMO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(c2ccc(Br)s2)CC1 ZINC000095941502 569375420 /nfs/dbraw/zinc/37/54/20/569375420.db2.gz UXXTZUPQOWFQNQ-UHFFFAOYSA-N 1 1 444.192 4.799 50 0 IJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C\c2c(Cl)nc3sccn23)cc1F ZINC000096055634 569381068 /nfs/dbraw/zinc/38/10/68/569381068.db2.gz KYUDHPUNFOHQAI-FJOGCWAESA-N 1 1 429.908 4.573 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)c1 ZINC000002915254 569425071 /nfs/dbraw/zinc/42/50/71/569425071.db2.gz IAADRNHSNVRJAZ-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057015961 569429155 /nfs/dbraw/zinc/42/91/55/569429155.db2.gz BEOGQCISYQTHMW-WZONZLPQSA-N 1 1 438.572 4.961 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@H]3CCc4ccccc43)cc2)cc1 ZINC000029483772 569430584 /nfs/dbraw/zinc/43/05/84/569430584.db2.gz NAHSPEWEZFUTNQ-VWLOTQADSA-N 1 1 443.547 4.895 50 0 IJAAMO O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004113129 569459452 /nfs/dbraw/zinc/45/94/52/569459452.db2.gz DCUFFPSRAOIHBE-HSZRJFAPSA-N 1 1 441.560 4.551 50 0 IJAAMO O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004113129 569459453 /nfs/dbraw/zinc/45/94/53/569459453.db2.gz DCUFFPSRAOIHBE-HSZRJFAPSA-N 1 1 441.560 4.551 50 0 IJAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546486 569463527 /nfs/dbraw/zinc/46/35/27/569463527.db2.gz KRLWRPKOZPLEFE-QHCPKHFHSA-N 1 1 435.593 4.809 50 0 IJAAMO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000038546782 569463694 /nfs/dbraw/zinc/46/36/94/569463694.db2.gz NNFDRFSDWBJLMZ-OAQYLSRUSA-N 1 1 440.638 4.801 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000008927658 569487293 /nfs/dbraw/zinc/48/72/93/569487293.db2.gz MJQSOSKWWBMWEP-OAQYLSRUSA-N 1 1 433.533 4.774 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)CC)C[C@H]1CCCO1 ZINC000245326999 569503711 /nfs/dbraw/zinc/50/37/11/569503711.db2.gz HTBIWVINXKINFT-LADGPHEKSA-N 1 1 449.595 4.979 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)CC)C[C@H]1CCCO1 ZINC000245326999 569503712 /nfs/dbraw/zinc/50/37/12/569503712.db2.gz HTBIWVINXKINFT-LADGPHEKSA-N 1 1 449.595 4.979 50 0 IJAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000245328868 569504014 /nfs/dbraw/zinc/50/40/14/569504014.db2.gz QIRRGZDBIHLBSI-GMAHTHKFSA-N 1 1 446.994 4.826 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@H](c3cccc(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009291372 569519806 /nfs/dbraw/zinc/51/98/06/569519806.db2.gz LFLPEGFPVWIPBS-GOTSBHOMSA-N 1 1 427.895 4.848 50 0 IJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OCc1ccccc1 ZINC000009299829 569520564 /nfs/dbraw/zinc/52/05/64/569520564.db2.gz UBGCSNZQQUDKEK-QHCPKHFHSA-N 1 1 449.576 4.568 50 0 IJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OCc1ccccc1 ZINC000009299829 569520565 /nfs/dbraw/zinc/52/05/65/569520565.db2.gz UBGCSNZQQUDKEK-QHCPKHFHSA-N 1 1 449.576 4.568 50 0 IJAAMO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000009579067 569548461 /nfs/dbraw/zinc/54/84/61/569548461.db2.gz PZDHXFPCELXXKI-HSZRJFAPSA-N 1 1 443.551 4.577 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000009712291 569562174 /nfs/dbraw/zinc/56/21/74/569562174.db2.gz VERBLKBEWTYJPI-NRFANRHFSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000009712291 569562175 /nfs/dbraw/zinc/56/21/75/569562175.db2.gz VERBLKBEWTYJPI-NRFANRHFSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000009712290 569562212 /nfs/dbraw/zinc/56/22/12/569562212.db2.gz VERBLKBEWTYJPI-OAQYLSRUSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000009712290 569562213 /nfs/dbraw/zinc/56/22/13/569562213.db2.gz VERBLKBEWTYJPI-OAQYLSRUSA-N 1 1 435.549 4.785 50 0 IJAAMO CC(=O)c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000012706858 518275382 /nfs/dbraw/zinc/27/53/82/518275382.db2.gz PYKQBEAVHXRMMZ-QHCPKHFHSA-N 1 1 444.616 4.983 50 0 IJAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)[nH]n1 ZINC000012316651 519430659 /nfs/dbraw/zinc/43/06/59/519430659.db2.gz SFGSRGSDKRIBAY-UHFFFAOYSA-N 1 1 448.615 4.603 50 0 IJAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012200921 519673694 /nfs/dbraw/zinc/67/36/94/519673694.db2.gz XXMJUUSHPZVINA-LJQANCHMSA-N 1 1 440.588 4.705 50 0 IJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597594 519853329 /nfs/dbraw/zinc/85/33/29/519853329.db2.gz BFIIQFBCPOFQGH-KRWDZBQOSA-N 1 1 432.033 4.980 50 0 IJAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597594 519853331 /nfs/dbraw/zinc/85/33/31/519853331.db2.gz BFIIQFBCPOFQGH-KRWDZBQOSA-N 1 1 432.033 4.980 50 0 IJAAMO CCCNC(=O)N[C@@H](CC)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1C ZINC000036048515 519886067 /nfs/dbraw/zinc/88/60/67/519886067.db2.gz GSXJDICLAABWAD-DHLKQENFSA-N 1 1 439.600 4.599 50 0 IJAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc2c1OCO2 ZINC000020515816 521904191 /nfs/dbraw/zinc/90/41/91/521904191.db2.gz RQHPJOUGGLDOHI-INIZCTEOSA-N 1 1 447.491 4.908 50 0 IJAAMO CCc1nc(C)c(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)[nH]1 ZINC000012306538 522201487 /nfs/dbraw/zinc/20/14/87/522201487.db2.gz LGFARSSESCMQON-UHFFFAOYSA-N 1 1 445.007 4.603 50 0 IJAAMO COc1cc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000021898692 522325285 /nfs/dbraw/zinc/32/52/85/522325285.db2.gz KVGKEAOIADORAZ-UHFFFAOYSA-N 1 1 444.575 4.570 50 0 IJAAMO C[N@@H+](CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12)C1CCCCC1 ZINC000021153455 522756896 /nfs/dbraw/zinc/75/68/96/522756896.db2.gz WIMRUDAQZYQASK-UHFFFAOYSA-N 1 1 446.617 4.847 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043121 523036611 /nfs/dbraw/zinc/03/66/11/523036611.db2.gz PJSVLVUCKIHMGS-NIYFSFCBSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043121 523036619 /nfs/dbraw/zinc/03/66/19/523036619.db2.gz PJSVLVUCKIHMGS-NIYFSFCBSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccccc1C)CC2 ZINC000036041053 523036929 /nfs/dbraw/zinc/03/69/29/523036929.db2.gz NUXWEYVGKJKKBU-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041053 523036942 /nfs/dbraw/zinc/03/69/42/523036942.db2.gz NUXWEYVGKJKKBU-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000021659505 523081517 /nfs/dbraw/zinc/08/15/17/523081517.db2.gz UGYYUQXLNJTTHY-UHFFFAOYSA-N 1 1 430.552 4.798 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000012205429 523140719 /nfs/dbraw/zinc/14/07/19/523140719.db2.gz ZRATXDQLKVQWTP-NRFANRHFSA-N 1 1 444.531 4.942 50 0 IJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)cc1OC ZINC000012306734 523776823 /nfs/dbraw/zinc/77/68/23/523776823.db2.gz CCCBLTHTJWAVIN-HXUWFJFHSA-N 1 1 433.552 4.806 50 0 IJAAMO COc1ccc(CC[NH+]2CCC(CN(C)Cc3ccc(OC)c(OC)c3Cl)CC2)cc1 ZINC000012198737 523949420 /nfs/dbraw/zinc/94/94/20/523949420.db2.gz HBXANENNAGTEGM-UHFFFAOYSA-N 1 1 447.019 4.752 50 0 IJAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3[nH]c4c(cccc4C)c3C)[N@H+]3CCC[C@@]23C1=O ZINC000012456776 524456647 /nfs/dbraw/zinc/45/66/47/524456647.db2.gz HFEMBMZMZJHNNS-CLHVYKLBSA-N 1 1 429.564 4.731 50 0 IJAAMO Cc1cc(C)n(CCC[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1 ZINC000012447887 524518422 /nfs/dbraw/zinc/51/84/22/524518422.db2.gz PHFDLQQYGAIFDY-DEOSSOPVSA-N 1 1 433.556 4.571 50 0 IJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000021114448 524714199 /nfs/dbraw/zinc/71/41/99/524714199.db2.gz DECOMUFPEHRNRO-UHFFFAOYSA-N 1 1 446.555 4.508 50 0 IJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 ZINC000012920913 525199230 /nfs/dbraw/zinc/19/92/30/525199230.db2.gz VWUGVUOMYSIIEO-QFIPXVFZSA-N 1 1 443.316 4.915 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c(OC)c1 ZINC000012768086 525250688 /nfs/dbraw/zinc/25/06/88/525250688.db2.gz YMISMABOSBKLFO-IBGZPJMESA-N 1 1 444.325 4.910 50 0 IJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c(OC)c1 ZINC000012768090 525415162 /nfs/dbraw/zinc/41/51/62/525415162.db2.gz YMISMABOSBKLFO-LJQANCHMSA-N 1 1 444.325 4.910 50 0 IJAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2CCC[N@H+]21 ZINC000035165655 525593351 /nfs/dbraw/zinc/59/33/51/525593351.db2.gz PGYPRCDEEGWUJY-YKKMPQLRSA-N 1 1 438.527 4.604 50 0 IJAAMO COc1cccc(NC(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000022679803 526191134 /nfs/dbraw/zinc/19/11/34/526191134.db2.gz GSPQVBVOSKRNGO-NRFANRHFSA-N 1 1 437.565 4.686 50 0 IJAAMO COc1cccc(NC(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000022679803 526191144 /nfs/dbraw/zinc/19/11/44/526191144.db2.gz GSPQVBVOSKRNGO-NRFANRHFSA-N 1 1 437.565 4.686 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1)NCc1ccccc1F ZINC000012299856 526569624 /nfs/dbraw/zinc/56/96/24/526569624.db2.gz STPJXOUECRTTFY-LJQANCHMSA-N 1 1 426.580 4.905 50 0 IJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012791392 526887152 /nfs/dbraw/zinc/88/71/52/526887152.db2.gz DLQFRJVEWVHZKT-XMMPIXPASA-N 1 1 445.544 4.589 50 0 IJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021794078 527002969 /nfs/dbraw/zinc/00/29/69/527002969.db2.gz PIUSDXCFFOKNTG-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021794078 527002971 /nfs/dbraw/zinc/00/29/71/527002971.db2.gz PIUSDXCFFOKNTG-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO Cn1cc(C[NH+]2CCC(N3CCSCC3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000020455577 527198018 /nfs/dbraw/zinc/19/80/18/527198018.db2.gz HONHHFSPIZAFLJ-UHFFFAOYSA-N 1 1 448.636 4.893 50 0 IJAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151796 527402329 /nfs/dbraw/zinc/40/23/29/527402329.db2.gz YKZBPQTVEJVGLN-AREMUKBSSA-N 1 1 445.607 4.617 50 0 IJAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151796 527402334 /nfs/dbraw/zinc/40/23/34/527402334.db2.gz YKZBPQTVEJVGLN-AREMUKBSSA-N 1 1 445.607 4.617 50 0 IJAAMO OCCOc1cccc(C[N@@H+]2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)c1 ZINC000012167734 527559133 /nfs/dbraw/zinc/55/91/33/527559133.db2.gz LDIPXPPKODWTDJ-UHFFFAOYSA-N 1 1 427.544 4.939 50 0 IJAAMO OCCOc1cccc(C[N@H+]2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)c1 ZINC000012167734 527559137 /nfs/dbraw/zinc/55/91/37/527559137.db2.gz LDIPXPPKODWTDJ-UHFFFAOYSA-N 1 1 427.544 4.939 50 0 IJAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000012589438 527599613 /nfs/dbraw/zinc/59/96/13/527599613.db2.gz ISMTXRHJKZXTTB-XMMPIXPASA-N 1 1 425.935 4.753 50 0 IJAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889688 555726599 /nfs/dbraw/zinc/72/65/99/555726599.db2.gz VJYUHELNCGWPTB-FQEVSTJZSA-N 1 1 427.508 4.865 50 0 IJAAMO CC(C)CC[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000034681610 555814985 /nfs/dbraw/zinc/81/49/85/555814985.db2.gz ZONVLZFTGGSOSF-UHFFFAOYSA-N 1 1 434.506 4.911 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681656 555815008 /nfs/dbraw/zinc/81/50/08/555815008.db2.gz NNUUQGWDFAMLNB-UHFFFAOYSA-N 1 1 438.934 4.839 50 0 IJAAMO CC(C)(C)c1cc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C(C)(C)C)c1O ZINC000004473944 555995855 /nfs/dbraw/zinc/99/58/55/555995855.db2.gz AVPFIBQDFUEDQW-SFHVURJKSA-N 1 1 434.665 4.626 50 0 IJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000004931291 556021432 /nfs/dbraw/zinc/02/14/32/556021432.db2.gz XMHIHKAENWYQKY-XMMPIXPASA-N 1 1 430.589 4.555 50 0 IJAAMO COc1ccc(-c2ncc(CN(C)C[C@@H]3CCC[N@@H+](CCc4ccc(F)cc4)C3)cn2)cc1 ZINC000011661823 556343487 /nfs/dbraw/zinc/34/34/87/556343487.db2.gz POUFIBXGLVZLBS-QFIPXVFZSA-N 1 1 448.586 4.678 50 0 IJAAMO CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2cc[nH+]c2C)cc1 ZINC000011663269 556344306 /nfs/dbraw/zinc/34/43/06/556344306.db2.gz BJESYJVFMIGYKG-SANMLTNESA-N 1 1 428.536 4.636 50 0 IJAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011705481 556347289 /nfs/dbraw/zinc/34/72/89/556347289.db2.gz KIKPLAYWKOSFOG-QFIPXVFZSA-N 1 1 442.563 4.693 50 0 IJAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021016 556356704 /nfs/dbraw/zinc/35/67/04/556356704.db2.gz JDTUYOHEZLISHW-IBGZPJMESA-N 1 1 449.982 4.944 50 0 IJAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021016 556356707 /nfs/dbraw/zinc/35/67/07/556356707.db2.gz JDTUYOHEZLISHW-IBGZPJMESA-N 1 1 449.982 4.944 50 0 IJAAMO Cc1cc(C)n(CCC[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)n1 ZINC000011821498 556362906 /nfs/dbraw/zinc/36/29/06/556362906.db2.gz LOZCSURYZFURNA-HSZRJFAPSA-N 1 1 433.556 4.571 50 0 IJAAMO Cc1cc(C)n(CCC[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)n1 ZINC000011821498 556362907 /nfs/dbraw/zinc/36/29/07/556362907.db2.gz LOZCSURYZFURNA-HSZRJFAPSA-N 1 1 433.556 4.571 50 0 IJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000011997341 556384483 /nfs/dbraw/zinc/38/44/83/556384483.db2.gz KEXNVNQQZXSKBT-SFHVURJKSA-N 1 1 430.593 4.822 50 0 IJAAMO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809452 556393991 /nfs/dbraw/zinc/39/39/91/556393991.db2.gz CSIHXCGXBZHRPV-UHFFFAOYSA-N 1 1 448.519 4.619 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)c(C)o2)c2ccccc12 ZINC000014976001 556468352 /nfs/dbraw/zinc/46/83/52/556468352.db2.gz ZDMIVYFBGRKNCO-OAQYLSRUSA-N 1 1 449.595 4.889 50 0 IJAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005720 556488947 /nfs/dbraw/zinc/48/89/47/556488947.db2.gz JGGBCVUNYOKBQR-JLTOFOAXSA-N 1 1 445.441 4.732 50 0 IJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005720 556488948 /nfs/dbraw/zinc/48/89/48/556488948.db2.gz JGGBCVUNYOKBQR-JLTOFOAXSA-N 1 1 445.441 4.732 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCC(=O)c1ccccc1 ZINC000015067810 556493918 /nfs/dbraw/zinc/49/39/18/556493918.db2.gz LAIOMRGOACKRCH-NRFANRHFSA-N 1 1 426.988 4.716 50 0 IJAAMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955401 556518372 /nfs/dbraw/zinc/51/83/72/556518372.db2.gz BCYQFSVXIWHDNB-UHFFFAOYSA-N 1 1 430.430 4.606 50 0 IJAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000032891629 556519559 /nfs/dbraw/zinc/51/95/59/556519559.db2.gz LEVCZGFAWCZYCN-QGZVFWFLSA-N 1 1 446.938 4.793 50 0 IJAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000013596141 556532007 /nfs/dbraw/zinc/53/20/07/556532007.db2.gz QLLNDHAHOPYCSL-SFHVURJKSA-N 1 1 432.511 4.605 50 0 IJAAMO Cc1c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)oc2c1C(=O)CCC2 ZINC000072304635 556548838 /nfs/dbraw/zinc/54/88/38/556548838.db2.gz ZSJYLJGILMTVPY-GOSISDBHSA-N 1 1 448.485 4.634 50 0 IJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1Br ZINC000015946346 556567458 /nfs/dbraw/zinc/56/74/58/556567458.db2.gz SZITYLYJNWNTNF-KRWDZBQOSA-N 1 1 436.375 4.715 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000042972092 556660627 /nfs/dbraw/zinc/66/06/27/556660627.db2.gz JRNRAAVGEHLZAB-INIZCTEOSA-N 1 1 443.494 4.760 50 0 IJAAMO c1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2cccnc2)c1 ZINC000055284693 556739651 /nfs/dbraw/zinc/73/96/51/556739651.db2.gz MTCTUUMAWUVVJQ-UHFFFAOYSA-N 1 1 429.612 4.924 50 0 IJAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165715 556759688 /nfs/dbraw/zinc/75/96/88/556759688.db2.gz XXQHERWZHXDJMQ-MRXNPFEDSA-N 1 1 430.430 4.606 50 0 IJAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165715 556759689 /nfs/dbraw/zinc/75/96/89/556759689.db2.gz XXQHERWZHXDJMQ-MRXNPFEDSA-N 1 1 430.430 4.606 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)nc(N2CCCC2)[nH+]1 ZINC000062021880 556765856 /nfs/dbraw/zinc/76/58/56/556765856.db2.gz TVBYEFVHIHWGQB-UHFFFAOYSA-N 1 1 426.524 4.791 50 0 IJAAMO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019535057 556793894 /nfs/dbraw/zinc/79/38/94/556793894.db2.gz DVFXQSJNFCBMPR-JIKIWWBOSA-N 1 1 433.518 4.988 50 0 IJAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019535057 556793897 /nfs/dbraw/zinc/79/38/97/556793897.db2.gz DVFXQSJNFCBMPR-JIKIWWBOSA-N 1 1 433.518 4.988 50 0 IJAAMO COc1ccc(-n2cc(C[N@@H+](C)CCc3c(C)n[nH]c3C)c(-c3cccc(F)c3)n2)cc1 ZINC000019535158 556793948 /nfs/dbraw/zinc/79/39/48/556793948.db2.gz DOFSHEAEWYKQMH-UHFFFAOYSA-N 1 1 433.531 4.701 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106401 556858960 /nfs/dbraw/zinc/85/89/60/556858960.db2.gz LOKVFNGSUZKMDD-LJQANCHMSA-N 1 1 444.579 4.773 50 0 IJAAMO COc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1Br ZINC000019781914 556913766 /nfs/dbraw/zinc/91/37/66/556913766.db2.gz KQTFAINZMBJQMU-UHFFFAOYSA-N 1 1 443.307 4.794 50 0 IJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4cccc(C)c4)CC3)ccc21 ZINC000019889340 556938472 /nfs/dbraw/zinc/93/84/72/556938472.db2.gz DYTIAPDHQWLBAA-UHFFFAOYSA-N 1 1 441.575 4.846 50 0 IJAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000019890302 556939315 /nfs/dbraw/zinc/93/93/15/556939315.db2.gz CCKWWVURKUMZQT-QHCPKHFHSA-N 1 1 440.971 4.715 50 0 IJAAMO COc1cc2cc(C[N@H+]3CCC[C@@H](CO)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072435479 556972317 /nfs/dbraw/zinc/97/23/17/556972317.db2.gz ATYPLAVBRDLMAH-MRXNPFEDSA-N 1 1 426.944 4.777 50 0 IJAAMO COc1cc2cc(C[N@@H+]3CC[C@@H](N(C)C)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072477126 556973740 /nfs/dbraw/zinc/97/37/40/556973740.db2.gz IQYALHHXRZZIHN-HXUWFJFHSA-N 1 1 425.960 4.708 50 0 IJAAMO COc1cc2cc(C[N@H+]3CC[C@@H](N(C)C)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072477126 556973742 /nfs/dbraw/zinc/97/37/42/556973742.db2.gz IQYALHHXRZZIHN-HXUWFJFHSA-N 1 1 425.960 4.708 50 0 IJAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000076973254 556995385 /nfs/dbraw/zinc/99/53/85/556995385.db2.gz YMIFZZNGDDPLSL-GOSISDBHSA-N 1 1 425.529 4.809 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181761 557045841 /nfs/dbraw/zinc/04/58/41/557045841.db2.gz QGFLNGCVAWSCID-NBGIEHNGSA-N 1 1 449.620 4.747 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181750 557045845 /nfs/dbraw/zinc/04/58/45/557045845.db2.gz QGFLNGCVAWSCID-NLFFAJNJSA-N 1 1 449.620 4.747 50 0 IJAAMO O=C(Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)C1CC1 ZINC000017356552 557062499 /nfs/dbraw/zinc/06/24/99/557062499.db2.gz YCBISQGBWSBGFM-UHFFFAOYSA-N 1 1 439.559 4.583 50 0 IJAAMO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000023619981 557101448 /nfs/dbraw/zinc/10/14/48/557101448.db2.gz JZZCHHDQTTUMKI-UHFFFAOYSA-N 1 1 431.458 4.573 50 0 IJAAMO Cc1ccc(-c2csc(N3[NH2+]C4=C(COc5ccccc54)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957637 557159271 /nfs/dbraw/zinc/15/92/71/557159271.db2.gz IZUYGJHIILAGJL-QRWLVFNGSA-N 1 1 431.439 4.602 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000604404807 557247818 /nfs/dbraw/zinc/24/78/18/557247818.db2.gz SEVRQYSJZHIDLH-ICDZXHCJSA-N 1 1 445.648 4.705 50 0 biogenic IJAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000027348669 557260852 /nfs/dbraw/zinc/26/08/52/557260852.db2.gz PECWOTKCALNYBO-FQEVSTJZSA-N 1 1 444.988 4.665 50 0 IJAAMO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022912 557391451 /nfs/dbraw/zinc/39/14/51/557391451.db2.gz SXLQNSIIEHMBJZ-VWLOTQADSA-N 1 1 449.620 4.516 50 0 IJAAMO CCn1c2ccccc2c2sc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2c1=O ZINC000004939251 557411351 /nfs/dbraw/zinc/41/13/51/557411351.db2.gz IMYNRWWBGYEZRR-CALCHBBNSA-N 1 1 425.598 4.619 50 0 IJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC ZINC000105012615 557472866 /nfs/dbraw/zinc/47/28/66/557472866.db2.gz RRIFMYKKDRAVIV-NFBKMPQASA-N 1 1 437.584 4.889 50 0 IJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670182 557760344 /nfs/dbraw/zinc/76/03/44/557760344.db2.gz SBZNNQITOZFKPR-OAQYLSRUSA-N 1 1 431.621 4.861 50 0 IJAAMO CC[C@@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)[NH+](C)C ZINC000239667833 557845104 /nfs/dbraw/zinc/84/51/04/557845104.db2.gz BRROHCAMCVLOSP-ZFWWWQNUSA-N 1 1 444.454 4.595 50 0 IJAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(Cc2nc(-c4ccccc4)cs2)CCO3)C[C@H](C)O1 ZINC000012023412 562980276 /nfs/dbraw/zinc/98/02/76/562980276.db2.gz PKVGPEUZSHBPJM-BGYRXZFFSA-N 1 1 449.620 4.814 50 0 IJAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(Cc2nc(-c4ccccc4)cs2)CCO3)C[C@H](C)O1 ZINC000012023412 562980278 /nfs/dbraw/zinc/98/02/78/562980278.db2.gz PKVGPEUZSHBPJM-BGYRXZFFSA-N 1 1 449.620 4.814 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)CC)C[C@@H]1CCCO1 ZINC000105000906 568624216 /nfs/dbraw/zinc/62/42/16/568624216.db2.gz HTBIWVINXKINFT-UPVQGACJSA-N 1 1 449.595 4.979 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)CC)C[C@@H]1CCCO1 ZINC000105000906 568624219 /nfs/dbraw/zinc/62/42/19/568624219.db2.gz HTBIWVINXKINFT-UPVQGACJSA-N 1 1 449.595 4.979 50 0 IJAAMO Cc1cccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)c1 ZINC000016041359 568868171 /nfs/dbraw/zinc/86/81/71/568868171.db2.gz CLNSIKDNQYFEGP-JENIJYKNSA-N 1 1 433.807 4.702 50 0 IJAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC2 ZINC000012941242 568869905 /nfs/dbraw/zinc/86/99/05/568869905.db2.gz QLAYNSUYIQGZKG-UHFFFAOYSA-N 1 1 432.520 4.883 50 0 IJAAMO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)[NH+]1CCN(c3ccccc3)CC1)CCCC2 ZINC000054105752 568918606 /nfs/dbraw/zinc/91/86/06/568918606.db2.gz SABDIOHFHPBDQP-VWLOTQADSA-N 1 1 446.620 4.892 50 0 IJAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)s1 ZINC000036101358 568952527 /nfs/dbraw/zinc/95/25/27/568952527.db2.gz OAGUIYUCSFWQTF-HXUWFJFHSA-N 1 1 425.550 4.536 50 0 IJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102591 568952634 /nfs/dbraw/zinc/95/26/34/568952634.db2.gz STGJYJZOKKCHLW-OAQYLSRUSA-N 1 1 443.902 4.650 50 0 IJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801853 568961470 /nfs/dbraw/zinc/96/14/70/568961470.db2.gz AGRYORJVEUELRF-UHFFFAOYSA-N 1 1 443.960 4.583 50 0 IJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145978 568962239 /nfs/dbraw/zinc/96/22/39/568962239.db2.gz FAJVOJRUVQYTGQ-YADHBBJMSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145978 568962240 /nfs/dbraw/zinc/96/22/40/568962240.db2.gz FAJVOJRUVQYTGQ-YADHBBJMSA-N 1 1 448.966 4.508 50 0 IJAAMO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@@H](O)COC(C)C)n2)cc1Cl ZINC000036147452 568962347 /nfs/dbraw/zinc/96/23/47/568962347.db2.gz DROWHLCSHQIADC-OAQYLSRUSA-N 1 1 443.975 4.529 50 0 IJAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000064820225 568967095 /nfs/dbraw/zinc/96/70/95/568967095.db2.gz PIKXEXOPRBCWAM-UHFFFAOYSA-N 1 1 440.407 4.858 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COCC ZINC000036306501 568995627 /nfs/dbraw/zinc/99/56/27/568995627.db2.gz YPDLVDVKFTTWCO-QFIPXVFZSA-N 1 1 437.584 4.797 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307608 568996134 /nfs/dbraw/zinc/99/61/34/568996134.db2.gz FTRISBFAPCWNDH-OAQYLSRUSA-N 1 1 441.547 4.626 50 0 IJAAMO COc1ccc(Cc2nc3ccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000064968448 569076125 /nfs/dbraw/zinc/07/61/25/569076125.db2.gz CGMYPOUKRITWAY-UHFFFAOYSA-N 1 1 443.547 4.679 50 0 biogenic IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036342005 569079669 /nfs/dbraw/zinc/07/96/69/569079669.db2.gz XGWXBHYZWPRYIS-NRFANRHFSA-N 1 1 441.547 4.720 50 0 IJAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346235 569081059 /nfs/dbraw/zinc/08/10/59/569081059.db2.gz UOECHOHGFJIHDN-QFIPXVFZSA-N 1 1 441.547 4.577 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524731963 569126663 /nfs/dbraw/zinc/12/66/63/569126663.db2.gz QTVNFOROTIZFNV-QTJGBDASSA-N 1 1 443.657 4.659 50 0 biogenic IJAAMO CC(=O)Nc1cccc([C@H](C)OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC000170619567 569147635 /nfs/dbraw/zinc/14/76/35/569147635.db2.gz QCRINRPYCNDIIK-RVHYNSKXSA-N 1 1 434.458 4.560 50 0 IJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013475990 569155517 /nfs/dbraw/zinc/15/55/17/569155517.db2.gz XQWITZSWWXOLEV-IZVMNLJQSA-N 1 1 438.612 4.741 50 0 biogenic IJAAMO CC(C)C(=O)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(C)C ZINC000037378402 569188582 /nfs/dbraw/zinc/18/85/82/569188582.db2.gz ZXADLOZGCGIVIP-UHFFFAOYSA-N 1 1 448.586 4.963 50 0 IJAAMO CC(C)C(=O)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(C)C ZINC000037378402 569188583 /nfs/dbraw/zinc/18/85/83/569188583.db2.gz ZXADLOZGCGIVIP-UHFFFAOYSA-N 1 1 448.586 4.963 50 0 IJAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380202 569191651 /nfs/dbraw/zinc/19/16/51/569191651.db2.gz ZGWPGVGYGWPFJY-OAQYLSRUSA-N 1 1 443.513 4.883 50 0 IJAAMO Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037560580 569201107 /nfs/dbraw/zinc/20/11/07/569201107.db2.gz NHEUXTHDGXBSAZ-UHFFFAOYSA-N 1 1 438.568 4.994 50 0 IJAAMO CC(C)(C)c1cc([C@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000095351642 569361953 /nfs/dbraw/zinc/36/19/53/569361953.db2.gz OKLZUMGNKSVRAO-DEOSSOPVSA-N 1 1 442.619 4.826 50 0 IJAAMO CCn1cc(Cl)c(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183707 569386027 /nfs/dbraw/zinc/38/60/27/569386027.db2.gz CRFBNEQIPPXMEZ-DEOSSOPVSA-N 1 1 436.987 4.721 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000057381125 569432764 /nfs/dbraw/zinc/43/27/64/569432764.db2.gz QEUDAGRMVFDVLN-IRXDYDNUSA-N 1 1 435.499 4.764 50 0 IJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000004064610 569458492 /nfs/dbraw/zinc/45/84/92/569458492.db2.gz UWRQLAGOUKFNKV-CVJWPJSTSA-N 1 1 425.569 4.889 50 0 biogenic IJAAMO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008981649 569494409 /nfs/dbraw/zinc/49/44/09/569494409.db2.gz GKBIHLZTMFXTRN-JOCHJYFZSA-N 1 1 447.623 4.645 50 0 IJAAMO C=C1C(NCCC[N@@H+](CC)Cc2ccccc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286725 569519277 /nfs/dbraw/zinc/51/92/77/569519277.db2.gz LUYSOASITSNQBK-UHFFFAOYSA-N 1 1 439.625 4.785 50 0 IJAAMO C=C1C(NCCC[N@H+](CC)Cc2ccccc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286725 569519278 /nfs/dbraw/zinc/51/92/78/569519278.db2.gz LUYSOASITSNQBK-UHFFFAOYSA-N 1 1 439.625 4.785 50 0 IJAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000009461057 569536993 /nfs/dbraw/zinc/53/69/93/569536993.db2.gz MZGXICYBIOGFRC-VXKWHMMOSA-N 1 1 431.858 4.678 50 0 IJAAMO O=C(Nc1nc(C[NH+]2CCCCC2)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000009513172 569543072 /nfs/dbraw/zinc/54/30/72/569543072.db2.gz SLIGIJDTEPYCQL-UHFFFAOYSA-N 1 1 430.430 4.767 50 0 IJAAMO Cc1nc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4nc(-c5cccs5)no4)C3)ccc2s1 ZINC000070655805 569550068 /nfs/dbraw/zinc/55/00/68/569550068.db2.gz RXSCEXCCMSKCAN-AWEZNQCLSA-N 1 1 439.566 4.567 50 0 IJAAMO Cc1nc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4nc(-c5cccs5)no4)C3)ccc2s1 ZINC000070655805 569550069 /nfs/dbraw/zinc/55/00/69/569550069.db2.gz RXSCEXCCMSKCAN-AWEZNQCLSA-N 1 1 439.566 4.567 50 0 IJAAMO COc1ccc(Nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000009680574 569560151 /nfs/dbraw/zinc/56/01/51/569560151.db2.gz UICOCQQOPOMMHC-UHFFFAOYSA-N 1 1 440.547 4.849 50 0 IJAAMO COc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@@H]2C)c1 ZINC000085866990 132225385 /nfs/dbraw/zinc/22/53/85/132225385.db2.gz PRAKJIZVYUUZDJ-SXFDPTLRSA-N 1 1 438.612 4.520 50 0 biogenic IJAAMO CC(C)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)on1 ZINC000012754397 519831191 /nfs/dbraw/zinc/83/11/91/519831191.db2.gz OEEXIIASPXLACL-GOSISDBHSA-N 1 1 437.506 4.844 50 0 IJAAMO CCCCc1ncc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]1 ZINC000020776201 521293899 /nfs/dbraw/zinc/29/38/99/521293899.db2.gz YPWYYDVXMRMLFK-JOCHJYFZSA-N 1 1 449.565 4.558 50 0 IJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCCCOC)C1 ZINC000020532204 521724566 /nfs/dbraw/zinc/72/45/66/521724566.db2.gz GKMLGXJAWBIJAC-FQEVSTJZSA-N 1 1 446.661 4.730 50 0 IJAAMO C[N@@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020730001 522860023 /nfs/dbraw/zinc/86/00/23/522860023.db2.gz GCKKDLUNEIEJOT-ULJHMMPZSA-N 1 1 443.572 4.634 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1ccccc1F ZINC000012373557 523042052 /nfs/dbraw/zinc/04/20/52/523042052.db2.gz UTHPJHWGKYLLID-IBGZPJMESA-N 1 1 436.493 4.800 50 0 IJAAMO COc1ccc(/C=C/C[N@@H+]2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)cc1 ZINC000012245589 523405373 /nfs/dbraw/zinc/40/53/73/523405373.db2.gz XNNCTVJOAJVJJO-AATRIKPKSA-N 1 1 432.520 4.682 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)cc1 ZINC000012245589 523405383 /nfs/dbraw/zinc/40/53/83/523405383.db2.gz XNNCTVJOAJVJJO-AATRIKPKSA-N 1 1 432.520 4.682 50 0 IJAAMO C[N@H+]1CC[C@@]2(CCN(Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976275 /nfs/dbraw/zinc/97/62/75/523976275.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 1 1 426.564 4.872 50 0 IJAAMO COc1ccccc1-c1ncc(CN(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cn1 ZINC000020539541 524282702 /nfs/dbraw/zinc/28/27/02/524282702.db2.gz KQADWPUNAAJASL-XMMPIXPASA-N 1 1 430.596 4.681 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000021934662 524471958 /nfs/dbraw/zinc/47/19/58/524471958.db2.gz DOAYVTVJJXTOEW-JOCHJYFZSA-N 1 1 436.559 4.857 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1Cl ZINC000012441285 524482112 /nfs/dbraw/zinc/48/21/12/524482112.db2.gz VNLYRELLRHJHRZ-HNNXBMFYSA-N 1 1 439.387 4.675 50 0 IJAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 ZINC000012714444 524655151 /nfs/dbraw/zinc/65/51/51/524655151.db2.gz XXUDCHLSUZIWSX-UHFFFAOYSA-N 1 1 426.488 4.850 50 0 IJAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](CC(C)C)C2CC2)cc1OC ZINC000012898446 525241007 /nfs/dbraw/zinc/24/10/07/525241007.db2.gz GVJJLQNWCSJDOX-FQEVSTJZSA-N 1 1 441.597 4.563 50 0 IJAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]2CCC[N@H+]21 ZINC000035165657 525593988 /nfs/dbraw/zinc/59/39/88/525593988.db2.gz PGYPRCDEEGWUJY-KALPRAJFSA-N 1 1 438.527 4.604 50 0 IJAAMO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(c4ccc(Cl)cn4)CC3)ccc2c1 ZINC000020599685 525618374 /nfs/dbraw/zinc/61/83/74/525618374.db2.gz VJZLRXZGTUFXQA-UHFFFAOYSA-N 1 1 433.943 4.609 50 0 IJAAMO COc1cccc(-c2nc(C[N@@H+](CCO)CC34CC5CC(CC(C5)C3)C4)c(C)o2)c1OC ZINC000012589682 525722323 /nfs/dbraw/zinc/72/23/23/525722323.db2.gz AEGCZNLXYIITKI-UHFFFAOYSA-N 1 1 440.584 4.678 50 0 IJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1OC ZINC000021794324 525833038 /nfs/dbraw/zinc/83/30/38/525833038.db2.gz GGOGDJIVNXUDGO-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1OC ZINC000021794324 525833044 /nfs/dbraw/zinc/83/30/44/525833044.db2.gz GGOGDJIVNXUDGO-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCOCC1)c2Sc1ccc(Cl)cc1 ZINC000020466685 526215183 /nfs/dbraw/zinc/21/51/83/526215183.db2.gz UGRWTMIPJQSBDX-UHFFFAOYSA-N 1 1 444.000 4.733 50 0 IJAAMO Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000012693330 526288883 /nfs/dbraw/zinc/28/88/83/526288883.db2.gz BSACUGQQMDLXFG-OAQYLSRUSA-N 1 1 448.592 4.923 50 0 IJAAMO Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)c12 ZINC000022296498 526682631 /nfs/dbraw/zinc/68/26/31/526682631.db2.gz ORMRJAHDLCKUPG-BETUJISGSA-N 1 1 425.558 4.595 50 0 IJAAMO Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)c12 ZINC000022296498 526682634 /nfs/dbraw/zinc/68/26/34/526682634.db2.gz ORMRJAHDLCKUPG-BETUJISGSA-N 1 1 425.558 4.595 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000012306231 526728497 /nfs/dbraw/zinc/72/84/97/526728497.db2.gz UHVNZKDWXXSJST-MRXNPFEDSA-N 1 1 428.920 4.673 50 0 IJAAMO O=C(C[NH+]1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 ZINC000016193063 526739980 /nfs/dbraw/zinc/73/99/80/526739980.db2.gz AQNJIVUYUHRQSG-UHFFFAOYSA-N 1 1 431.989 4.957 50 0 IJAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)N1CCCCC1 ZINC000012195258 526810323 /nfs/dbraw/zinc/81/03/23/526810323.db2.gz NVLRVWFIMALQDA-UHFFFAOYSA-N 1 1 428.960 4.715 50 0 IJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012915403 526890808 /nfs/dbraw/zinc/89/08/08/526890808.db2.gz URTZGEXAJHUGBY-DEOSSOPVSA-N 1 1 433.577 4.738 50 0 IJAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccc(Oc4ccccc4)c3)[N@H+]3CCC[C@@]123 ZINC000012307450 527039571 /nfs/dbraw/zinc/03/95/71/527039571.db2.gz QTVLEGWLVOJNIN-LNBJVWSJSA-N 1 1 425.532 4.812 50 0 IJAAMO O=C(Nc1ccccc1Br)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000020532092 527405901 /nfs/dbraw/zinc/40/59/01/527405901.db2.gz YKARJIRJWWAZOO-UHFFFAOYSA-N 1 1 428.374 4.751 50 0 IJAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@@H+](Cc4ccco4)CC3)c12 ZINC000035924666 527554899 /nfs/dbraw/zinc/55/48/99/527554899.db2.gz BGWGUHLQAQOEJU-UHFFFAOYSA-N 1 1 444.583 4.628 50 0 IJAAMO COc1ccccc1C[NH+]1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cn2)CC1 ZINC000034682052 555815729 /nfs/dbraw/zinc/81/57/29/555815729.db2.gz OZYDMXQGLPCQIZ-UHFFFAOYSA-N 1 1 445.567 4.673 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccco3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034683884 555819520 /nfs/dbraw/zinc/81/95/20/555819520.db2.gz FWNBOPDTMOLNSK-UHFFFAOYSA-N 1 1 446.519 4.726 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000009287913 556272434 /nfs/dbraw/zinc/27/24/34/556272434.db2.gz BDNOOOWNKIDZOU-RUZDIDTESA-N 1 1 434.580 4.842 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000009287902 556272503 /nfs/dbraw/zinc/27/25/03/556272503.db2.gz PZODSESFAZEWNZ-XMMPIXPASA-N 1 1 438.543 4.591 50 0 IJAAMO CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2cc[nH+]c2C)cc1 ZINC000011663268 556344318 /nfs/dbraw/zinc/34/43/18/556344318.db2.gz BJESYJVFMIGYKG-AREMUKBSSA-N 1 1 428.536 4.636 50 0 IJAAMO C[N@@H+](Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)C(C1CC1)C1CC1 ZINC000011819503 556361511 /nfs/dbraw/zinc/36/15/11/556361511.db2.gz BAXVLUDDVQJEOT-UHFFFAOYSA-N 1 1 448.998 4.807 50 0 IJAAMO CC(C)n1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011842366 556365999 /nfs/dbraw/zinc/36/59/99/556365999.db2.gz PCUNILOKSLAXHX-LJQANCHMSA-N 1 1 436.522 4.510 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccc(Cl)c1 ZINC000011871767 556368975 /nfs/dbraw/zinc/36/89/75/556368975.db2.gz QAHHUZFMSQMGIB-SFHVURJKSA-N 1 1 430.976 4.779 50 0 IJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)o1 ZINC000011874633 556370637 /nfs/dbraw/zinc/37/06/37/556370637.db2.gz KTAPQKDDOKNISQ-HXUWFJFHSA-N 1 1 434.536 4.952 50 0 IJAAMO COc1cc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)ccc1F ZINC000011932954 556376590 /nfs/dbraw/zinc/37/65/90/556376590.db2.gz UJGIHKBTDAEVNK-UHFFFAOYSA-N 1 1 426.532 4.504 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cc1O ZINC000011956375 556381092 /nfs/dbraw/zinc/38/10/92/556381092.db2.gz CWCSLTBHBFABBP-NRFANRHFSA-N 1 1 430.548 4.710 50 0 IJAAMO Cc1nn(C(C)C)c(C)c1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012073932 556396875 /nfs/dbraw/zinc/39/68/75/556396875.db2.gz GCXVHOUMCCBZQU-PTLVVNQVSA-N 1 1 426.992 4.672 50 0 IJAAMO CC(C)C[N@@H+]1C[C@H](C(=O)NC2CCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014533416 556421950 /nfs/dbraw/zinc/42/19/50/556421950.db2.gz PBWIBDHTAKCGDJ-ZWKOTPCHSA-N 1 1 426.523 4.737 50 0 IJAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000014974297 556467733 /nfs/dbraw/zinc/46/77/33/556467733.db2.gz HZGMBOUTXUFDRL-SFHVURJKSA-N 1 1 448.521 4.634 50 0 IJAAMO COCCN(Cc1[nH]c2ccccc2c1C)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014976039 556468373 /nfs/dbraw/zinc/46/83/73/556468373.db2.gz UZKJRBWJIXONRL-QFIPXVFZSA-N 1 1 431.624 4.804 50 0 IJAAMO O=c1nc(C[N@H+](CCc2cccs2)Cc2cccs2)[nH]c2sc3c(c21)CCC3 ZINC000015550322 556534456 /nfs/dbraw/zinc/53/44/56/556534456.db2.gz MHDVOKAAPXWZQD-UHFFFAOYSA-N 1 1 427.620 4.841 50 0 IJAAMO O=c1nc(C[N@@H+](CCc2cccs2)Cc2cccs2)[nH]c2sc3c(c21)CCC3 ZINC000015550322 556534458 /nfs/dbraw/zinc/53/44/58/556534458.db2.gz MHDVOKAAPXWZQD-UHFFFAOYSA-N 1 1 427.620 4.841 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCC(=O)NC1CCCCC1)CC2 ZINC000072305739 556556076 /nfs/dbraw/zinc/55/60/76/556556076.db2.gz SMKFBDXXQWWICK-DEOSSOPVSA-N 1 1 428.598 4.552 50 0 IJAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2F)CC[C@@H](C)C3)CC1 ZINC000015946885 556567722 /nfs/dbraw/zinc/56/77/22/556567722.db2.gz RSBKISSDZLIRFG-MRXNPFEDSA-N 1 1 443.588 4.935 50 0 IJAAMO COc1c2c(cc3c1[C@@H]([C@H]1c4ccccc4-c4ccc(C(C)=O)cc41)[N@@H+](C)CC3)OCO2 ZINC000033697574 556622275 /nfs/dbraw/zinc/62/22/75/556622275.db2.gz LQTAEKCRFQHJPA-DQEYMECFSA-N 1 1 427.500 4.968 50 0 biogenic IJAAMO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037587439 556645811 /nfs/dbraw/zinc/64/58/11/556645811.db2.gz AAUFCMQYMCQTIE-UHFFFAOYSA-N 1 1 426.463 4.878 50 0 IJAAMO Cc1cccc(N2CC[N@H+](C[C@H](O)CO[C@@H](c3ccccc3)c3ccccc3C)C[C@@H]2C)c1 ZINC000058158744 556763513 /nfs/dbraw/zinc/76/35/13/556763513.db2.gz DSZYVPQRNAHHSZ-KMDNEMHUSA-N 1 1 444.619 4.981 50 0 IJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1I ZINC000058160718 556764692 /nfs/dbraw/zinc/76/46/92/556764692.db2.gz ZGNXXDXDCCDMCE-UHFFFAOYSA-N 1 1 442.300 4.609 50 0 IJAAMO O=c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc3c(cc2o1)CCC3 ZINC000058162295 556765770 /nfs/dbraw/zinc/76/57/70/556765770.db2.gz OSGBAYZPWRQVTQ-UHFFFAOYSA-N 1 1 428.454 4.623 50 0 IJAAMO COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000058216501 556772510 /nfs/dbraw/zinc/77/25/10/556772510.db2.gz IHQKWWROJCGXAZ-NRFANRHFSA-N 1 1 432.524 4.587 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nc(C)[nH+]2)cc1 ZINC000067602106 556843618 /nfs/dbraw/zinc/84/36/18/556843618.db2.gz WSFQFBJMLVMREX-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4ccc(OC)cc4)CC3)ccc21 ZINC000019774026 556913507 /nfs/dbraw/zinc/91/35/07/556913507.db2.gz CZQBMFGCYDKEKA-UHFFFAOYSA-N 1 1 427.548 4.781 50 0 IJAAMO Cn1cc(C[N@H+]2CCCC23CCN(c2ccnc4c2cccc4C(F)(F)F)CC3)cn1 ZINC000072423995 556972327 /nfs/dbraw/zinc/97/23/27/556972327.db2.gz SPBKNAGOYQXKPB-UHFFFAOYSA-N 1 1 429.490 4.622 50 0 IJAAMO C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182691 557044444 /nfs/dbraw/zinc/04/44/44/557044444.db2.gz JMUYSAXUESGRJN-FDDCHVKYSA-N 1 1 438.572 4.961 50 0 IJAAMO C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181353 557045430 /nfs/dbraw/zinc/04/54/30/557045430.db2.gz JEKIDGXLWNNTSW-WZONZLPQSA-N 1 1 429.605 4.836 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181757 557045835 /nfs/dbraw/zinc/04/58/35/557045835.db2.gz QGFLNGCVAWSCID-CPJSRVTESA-N 1 1 449.620 4.747 50 0 IJAAMO CCC[N@H+]1CCc2nc(SCc3nc(-c4cccc(Cl)c4)oc3C)[nH]c(=O)c2C1 ZINC000033287193 557064449 /nfs/dbraw/zinc/06/44/49/557064449.db2.gz LYRSWYUKKSYGHG-UHFFFAOYSA-N 1 1 430.961 4.859 50 0 IJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023248944 557133628 /nfs/dbraw/zinc/13/36/28/557133628.db2.gz VMGBRJDZFDMXIA-JOCHJYFZSA-N 1 1 445.563 4.503 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000604404806 557247765 /nfs/dbraw/zinc/24/77/65/557247765.db2.gz SEVRQYSJZHIDLH-CAOCKLPOSA-N 1 1 445.648 4.705 50 0 biogenic IJAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc(OC)c1 ZINC000033318611 557332965 /nfs/dbraw/zinc/33/29/65/557332965.db2.gz KBRHGNXENBORCS-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc(OC)c1 ZINC000033318611 557332970 /nfs/dbraw/zinc/33/29/70/557332970.db2.gz KBRHGNXENBORCS-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000408516500 557412019 /nfs/dbraw/zinc/41/20/19/557412019.db2.gz AIWXLWFHMVHGHW-UHFFFAOYSA-N 1 1 442.563 4.981 50 0 IJAAMO COc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(C(=O)C(C)C)C(C)C)C2)c1 ZINC000105051282 557474658 /nfs/dbraw/zinc/47/46/58/557474658.db2.gz SVBWNJWVRAKOJD-RDGATRHJSA-N 1 1 426.576 4.943 50 0 IJAAMO CC(C)c1ccc(C[N@H+](C)[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951038 557544685 /nfs/dbraw/zinc/54/46/85/557544685.db2.gz DOAOTUSMQUGLHO-FTJBHMTQSA-N 1 1 434.605 4.886 50 0 IJAAMO CC(C)c1ccc(C[N@@H+](C)[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951038 557544688 /nfs/dbraw/zinc/54/46/88/557544688.db2.gz DOAOTUSMQUGLHO-FTJBHMTQSA-N 1 1 434.605 4.886 50 0 IJAAMO CC[NH+]1CC[C@@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000229999495 557835080 /nfs/dbraw/zinc/83/50/80/557835080.db2.gz PYWLMPHRWUDRKH-BNQDLGRVSA-N 1 1 430.592 4.504 50 0 IJAAMO CC[NH+]1CC[C@@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000229999495 557835083 /nfs/dbraw/zinc/83/50/83/557835083.db2.gz PYWLMPHRWUDRKH-BNQDLGRVSA-N 1 1 430.592 4.504 50 0 IJAAMO CCOC(=O)c1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1 ZINC000008690802 562963195 /nfs/dbraw/zinc/96/31/95/562963195.db2.gz NQTKVLVVQBKXOK-IBGZPJMESA-N 1 1 443.613 4.777 50 0 IJAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012438698 562982121 /nfs/dbraw/zinc/98/21/21/562982121.db2.gz BCYNSARSDGREIL-QFIPXVFZSA-N 1 1 427.552 4.902 50 0 IJAAMO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182699 568616014 /nfs/dbraw/zinc/61/60/14/568616014.db2.gz JMUYSAXUESGRJN-MBSDFSHPSA-N 1 1 438.572 4.961 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984292 568623132 /nfs/dbraw/zinc/62/31/32/568623132.db2.gz ZQPNSDIWSVRPED-FCHUYYIVSA-N 1 1 430.976 4.511 50 0 IJAAMO O=C(Nc1nc2ccc(Cl)cc2s1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044443331 568752489 /nfs/dbraw/zinc/75/24/89/568752489.db2.gz FWILJMLCARUIKA-UHFFFAOYSA-N 1 1 425.945 4.677 50 0 IJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 ZINC000084692306 568800107 /nfs/dbraw/zinc/80/01/07/568800107.db2.gz BAOBRBGIULZCKK-IBGZPJMESA-N 1 1 428.536 4.961 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(OC)cc2)n1 ZINC000085651144 568831808 /nfs/dbraw/zinc/83/18/08/568831808.db2.gz DSWZLHVRBUGGMK-IBGZPJMESA-N 1 1 436.556 4.964 50 0 IJAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801353 568961060 /nfs/dbraw/zinc/96/10/60/568961060.db2.gz XANHMERIRAETSK-UHFFFAOYSA-N 1 1 432.528 4.572 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307610 568996119 /nfs/dbraw/zinc/99/61/19/568996119.db2.gz FTRISBFAPCWNDH-NRFANRHFSA-N 1 1 441.547 4.626 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036308446 568996456 /nfs/dbraw/zinc/99/64/56/568996456.db2.gz YHCJDIDZHCKNON-QHCPKHFHSA-N 1 1 435.568 4.723 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036308446 568996457 /nfs/dbraw/zinc/99/64/57/568996457.db2.gz YHCJDIDZHCKNON-QHCPKHFHSA-N 1 1 435.568 4.723 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000036341687 569078989 /nfs/dbraw/zinc/07/89/89/569078989.db2.gz FIIAQODDCVBTTN-CPJSRVTESA-N 1 1 449.595 4.873 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036344365 569080053 /nfs/dbraw/zinc/08/00/53/569080053.db2.gz LMQISMHSNJLWON-VWLOTQADSA-N 1 1 449.595 4.730 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345956 569080858 /nfs/dbraw/zinc/08/08/58/569080858.db2.gz XBRXBRSPQHOFMA-DEOSSOPVSA-N 1 1 449.595 4.891 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c2oc1-c1ccccc1 ZINC000170613658 569146125 /nfs/dbraw/zinc/14/61/25/569146125.db2.gz NDLVQNHULRWCPT-OFNKIYASSA-N 1 1 430.548 4.763 50 0 IJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891097 569165603 /nfs/dbraw/zinc/16/56/03/569165603.db2.gz WOVOTASTWRZPLK-HXOBKFHXSA-N 1 1 441.547 4.708 50 0 IJAAMO Brc1ccc(-c2nc(C[N@@H+]3CCCN(c4nccs4)CC3)cs2)cc1 ZINC000079025941 569322793 /nfs/dbraw/zinc/32/27/93/569322793.db2.gz WXYXVPGNSNMYRO-UHFFFAOYSA-N 1 1 435.416 4.741 50 0 IJAAMO Brc1ccc(-c2nc(C[N@H+]3CCCN(c4nccs4)CC3)cs2)cc1 ZINC000079025941 569322795 /nfs/dbraw/zinc/32/27/95/569322795.db2.gz WXYXVPGNSNMYRO-UHFFFAOYSA-N 1 1 435.416 4.741 50 0 IJAAMO CC(=O)Oc1cc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)oc2c2ccccc12 ZINC000019880789 569331660 /nfs/dbraw/zinc/33/16/60/569331660.db2.gz QRBSGUZJVQXRMW-UHFFFAOYSA-N 1 1 442.515 4.778 50 0 IJAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276605 569388659 /nfs/dbraw/zinc/38/86/59/569388659.db2.gz JOANVWUSCZCOJP-OAQYLSRUSA-N 1 1 439.987 4.906 50 0 IJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000057315476 569430900 /nfs/dbraw/zinc/43/09/00/569430900.db2.gz MDVINUAMCLMXSP-UHFFFAOYSA-N 1 1 425.532 4.664 50 0 IJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)C1 ZINC000003058546 569439414 /nfs/dbraw/zinc/43/94/14/569439414.db2.gz NQKNTONXGRGXCG-OYADDEIPSA-N 1 1 435.593 4.624 50 0 IJAAMO O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004113128 569459494 /nfs/dbraw/zinc/45/94/94/569459494.db2.gz DCUFFPSRAOIHBE-QHCPKHFHSA-N 1 1 441.560 4.551 50 0 IJAAMO O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004113128 569459495 /nfs/dbraw/zinc/45/94/95/569459495.db2.gz DCUFFPSRAOIHBE-QHCPKHFHSA-N 1 1 441.560 4.551 50 0 IJAAMO CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546420 569463605 /nfs/dbraw/zinc/46/36/05/569463605.db2.gz USNPFCJGWKTDET-QFIPXVFZSA-N 1 1 439.581 4.637 50 0 IJAAMO CSc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546423 569463612 /nfs/dbraw/zinc/46/36/12/569463612.db2.gz PQLMGVZAHPSISD-NRFANRHFSA-N 1 1 441.622 4.961 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Cl)c3)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000008664964 569469966 /nfs/dbraw/zinc/46/99/66/569469966.db2.gz LFLPEGFPVWIPBS-DHIUTWEWSA-N 1 1 427.895 4.848 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008928037 569487344 /nfs/dbraw/zinc/48/73/44/569487344.db2.gz DOFXCIBTYRSKNS-HYGBKTPJSA-N 1 1 449.532 4.767 50 0 IJAAMO Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)cc1C ZINC000245237509 569500493 /nfs/dbraw/zinc/50/04/93/569500493.db2.gz LKAXNIXBZBZXJO-BKMJKUGQSA-N 1 1 445.588 4.955 50 0 IJAAMO Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1C ZINC000245237509 569500494 /nfs/dbraw/zinc/50/04/94/569500494.db2.gz LKAXNIXBZBZXJO-BKMJKUGQSA-N 1 1 445.588 4.955 50 0 IJAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000245237330 569500499 /nfs/dbraw/zinc/50/04/99/569500499.db2.gz JROIOXMOKUJDTF-SQJMNOBHSA-N 1 1 431.561 4.533 50 0 IJAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000245237330 569500500 /nfs/dbraw/zinc/50/05/00/569500500.db2.gz JROIOXMOKUJDTF-SQJMNOBHSA-N 1 1 431.561 4.533 50 0 IJAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)cc1C ZINC000245237510 569500502 /nfs/dbraw/zinc/50/05/02/569500502.db2.gz LKAXNIXBZBZXJO-NVQXNPDNSA-N 1 1 445.588 4.955 50 0 IJAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1C ZINC000245237510 569500503 /nfs/dbraw/zinc/50/05/03/569500503.db2.gz LKAXNIXBZBZXJO-NVQXNPDNSA-N 1 1 445.588 4.955 50 0 IJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@H+]1CCc3ccccc3C1)c2-n1cccc1 ZINC000009251908 569515992 /nfs/dbraw/zinc/51/59/92/569515992.db2.gz NGXZKMDOTVYCAL-UHFFFAOYSA-N 1 1 444.604 4.882 50 0 IJAAMO CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009309600 569521562 /nfs/dbraw/zinc/52/15/62/569521562.db2.gz ZPNSOLOXSDYRGJ-BJKOFHAPSA-N 1 1 439.544 4.916 50 0 IJAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000009731850 569564771 /nfs/dbraw/zinc/56/47/71/569564771.db2.gz FGAIDULEQXXFBN-UHFFFAOYSA-N 1 1 441.934 4.971 50 0 IJAAMO Cc1cc2sc(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)nc2c(C)c1 ZINC000009848266 569571239 /nfs/dbraw/zinc/57/12/39/569571239.db2.gz BUQUWJZZDPNDSG-UHFFFAOYSA-N 1 1 442.673 4.900 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128699 569578035 /nfs/dbraw/zinc/57/80/35/569578035.db2.gz DCMKUKOOWBVXTO-ATIYNZHBSA-N 1 1 438.568 4.507 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128699 569578036 /nfs/dbraw/zinc/57/80/36/569578036.db2.gz DCMKUKOOWBVXTO-ATIYNZHBSA-N 1 1 438.568 4.507 50 0 IJAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCOCC2)cc1 ZINC000001447613 132245599 /nfs/dbraw/zinc/24/55/99/132245599.db2.gz GFCYTDAJZQKPAD-UHFFFAOYSA-N 1 1 435.325 4.687 50 0 IJAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000009846273 132329996 /nfs/dbraw/zinc/32/99/96/132329996.db2.gz JCHJTBNSXKOHLN-UHFFFAOYSA-N 1 1 442.774 4.806 50 0 IJAAMO CCC(CC)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012879738 521541863 /nfs/dbraw/zinc/54/18/63/521541863.db2.gz 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O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020058121 556975292 /nfs/dbraw/zinc/97/52/92/556975292.db2.gz UYJGVLGUXNVNAX-UHFFFAOYSA-N 1 1 439.559 4.733 50 0 IJAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033268841 556986343 /nfs/dbraw/zinc/98/63/43/556986343.db2.gz KMCUBBQELDPAEE-UHFFFAOYSA-N 1 1 437.540 4.983 50 0 IJAAMO Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NCCC[NH+]3CCOCC3)c2c1 ZINC000020407669 557013891 /nfs/dbraw/zinc/01/38/91/557013891.db2.gz MGTIDHSKDJBNAJ-UHFFFAOYSA-N 1 1 431.580 4.786 50 0 IJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000046053266 557026165 /nfs/dbraw/zinc/02/61/65/557026165.db2.gz JYAWOPINMMJKIP-UHFFFAOYSA-N 1 1 441.457 4.510 50 0 IJAAMO C[C@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181489 557045338 /nfs/dbraw/zinc/04/53/38/557045338.db2.gz RUQKSNZSRCZIAH-FDDCHVKYSA-N 1 1 439.556 4.928 50 0 IJAAMO C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000023174854 557070477 /nfs/dbraw/zinc/07/04/77/557070477.db2.gz CEGHYZGRNAHEGM-QFIPXVFZSA-N 1 1 448.954 4.878 50 0 IJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccc3Cl)n2)c(OC)c1 ZINC000023186803 557071908 /nfs/dbraw/zinc/07/19/08/557071908.db2.gz LHOPRFXGNQIEKL-CYBMUJFWSA-N 1 1 431.945 4.770 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(C)C ZINC000004872413 557399970 /nfs/dbraw/zinc/39/99/70/557399970.db2.gz MVXCVAOMEGKFNY-ZSTXGWIISA-N 1 1 435.697 4.751 50 0 IJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000105012697 557472796 /nfs/dbraw/zinc/47/27/96/557472796.db2.gz UZXREUAOSIIJIU-XMSQKQJNSA-N 1 1 441.547 4.720 50 0 IJAAMO Cc1ccc(C)c(C2=NN(CCC[NH+]3CCOCC3)C(c3ccc(F)cc3)=CS2)c1 ZINC000025179735 557528760 /nfs/dbraw/zinc/52/87/60/557528760.db2.gz UZZOTAXQOWGLNZ-UHFFFAOYSA-N 1 1 425.573 4.874 50 0 IJAAMO CC[C@@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)[NH+](C)C ZINC000239667830 557845106 /nfs/dbraw/zinc/84/51/06/557845106.db2.gz BRROHCAMCVLOSP-DZGCQCFKSA-N 1 1 444.454 4.595 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)Cc1ccccc1 ZINC000008603767 562956050 /nfs/dbraw/zinc/95/60/50/562956050.db2.gz UCABRXLQAYZZPZ-UHFFFAOYSA-N 1 1 433.577 4.693 50 0 IJAAMO CC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1 ZINC000012709905 562982995 /nfs/dbraw/zinc/98/29/95/562982995.db2.gz UWDYWOUBEGNXCU-UHFFFAOYSA-N 1 1 436.581 4.604 50 0 IJAAMO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000020193500 563023976 /nfs/dbraw/zinc/02/39/76/563023976.db2.gz ARWLDVFFXYMIPI-DEOSSOPVSA-N 1 1 449.620 4.963 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982891 568622627 /nfs/dbraw/zinc/62/26/27/568622627.db2.gz YYKWXHIMKIRGAC-NHCUHLMSSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982891 568622628 /nfs/dbraw/zinc/62/26/28/568622628.db2.gz YYKWXHIMKIRGAC-NHCUHLMSSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@@H](O)COCC(C)C)C1 ZINC000104982538 568623030 /nfs/dbraw/zinc/62/30/30/568623030.db2.gz BLHKCWSTTRTLKE-DHIUTWEWSA-N 1 1 445.003 4.677 50 0 IJAAMO CCc1cccc(C)c1N(C(=O)Cn1c(C[NH+]2CCCC2)nc2ccccc21)[C@H](C)COC ZINC000082086953 568735297 /nfs/dbraw/zinc/73/52/97/568735297.db2.gz ZYQVCWRAAKFJGU-OAQYLSRUSA-N 1 1 448.611 4.571 50 0 IJAAMO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)oc(C)c1C(C)=O ZINC000012615529 568755265 /nfs/dbraw/zinc/75/52/65/568755265.db2.gz UYEJPPXVFPHTJL-XMMPIXPASA-N 1 1 448.519 4.593 50 0 IJAAMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H]3CN(C(=O)Cc4cccs4)CC[C@@H]32)cc1 ZINC000299758662 568755481 /nfs/dbraw/zinc/75/54/81/568755481.db2.gz LSHMBRYLGKWWSB-ZYKOEDHHSA-N 1 1 426.626 4.633 50 0 IJAAMO C[N@@H+](CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccccc1 ZINC000015680952 568806204 /nfs/dbraw/zinc/80/62/04/568806204.db2.gz FQMWSOKIVGAURQ-UHFFFAOYSA-N 1 1 436.987 4.792 50 0 IJAAMO Cc1nn2c(ncc(C(=O)NCCC[N@H+](C)C3CCCCC3)c2C)c1-c1cccc(C)c1 ZINC000015733110 568815654 /nfs/dbraw/zinc/81/56/54/568815654.db2.gz NFSRVBLBLXJJQO-UHFFFAOYSA-N 1 1 433.600 4.706 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984496 568838658 /nfs/dbraw/zinc/83/86/58/568838658.db2.gz WFKSSNIQALQFLW-FCHUYYIVSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982989 568838725 /nfs/dbraw/zinc/83/87/25/568838725.db2.gz RCQYMXALWDNTNU-NHCUHLMSSA-N 1 1 448.966 4.508 50 0 IJAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121182 568852275 /nfs/dbraw/zinc/85/22/75/568852275.db2.gz ZVZKAGDLGIEJRH-UHFFFAOYSA-N 1 1 426.948 4.713 50 0 IJAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCCC3)co2)cc1 ZINC000036063972 568944893 /nfs/dbraw/zinc/94/48/93/568944893.db2.gz YAJJETIPSGWQHK-UHFFFAOYSA-N 1 1 442.563 4.945 50 0 IJAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCCC3)co2)cc1 ZINC000036063972 568944895 /nfs/dbraw/zinc/94/48/95/568944895.db2.gz YAJJETIPSGWQHK-UHFFFAOYSA-N 1 1 442.563 4.945 50 0 IJAAMO CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000064746795 568949585 /nfs/dbraw/zinc/94/95/85/568949585.db2.gz BANRAHOBRXVMJL-UHFFFAOYSA-N 1 1 446.624 4.990 50 0 IJAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098554 568952035 /nfs/dbraw/zinc/95/20/35/568952035.db2.gz RXYWHQIUSJILOY-QFIPXVFZSA-N 1 1 429.919 4.930 50 0 IJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)nc2c(C)c1 ZINC000036102902 568952704 /nfs/dbraw/zinc/95/27/04/568952704.db2.gz SSWJWTWTDIUVOY-HBMCJLEFSA-N 1 1 442.673 4.899 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146411 568962771 /nfs/dbraw/zinc/96/27/71/568962771.db2.gz MKQYXGGKXOWWQA-VXKWHMMOSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146411 568962773 /nfs/dbraw/zinc/96/27/73/568962773.db2.gz MKQYXGGKXOWWQA-VXKWHMMOSA-N 1 1 448.966 4.508 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000169681650 568992388 /nfs/dbraw/zinc/99/23/88/568992388.db2.gz AZBXTVAVBCOFSR-IEBWSBKVSA-N 1 1 448.533 4.626 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@H](O)C(C)C ZINC000036302875 568993641 /nfs/dbraw/zinc/99/36/41/568993641.db2.gz YRVRHRSTQAUIPK-VWLOTQADSA-N 1 1 437.584 4.692 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@H](O)C(C)C ZINC000036302875 568993644 /nfs/dbraw/zinc/99/36/44/568993644.db2.gz YRVRHRSTQAUIPK-VWLOTQADSA-N 1 1 437.584 4.692 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036302646 568993669 /nfs/dbraw/zinc/99/36/69/568993669.db2.gz DISNWUDOZCGTQH-LJQANCHMSA-N 1 1 435.568 4.828 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)C1 ZINC000006804790 568996659 /nfs/dbraw/zinc/99/66/59/568996659.db2.gz KAYIPTYGTAEDHN-SZPZYZBQSA-N 1 1 432.612 4.968 50 0 IJAAMO CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344007 569080037 /nfs/dbraw/zinc/08/00/37/569080037.db2.gz ZBWTWBUQXQSWDJ-HSZRJFAPSA-N 1 1 425.960 4.902 50 0 IJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC ZINC000036346191 569081002 /nfs/dbraw/zinc/08/10/02/569081002.db2.gz RRIFMYKKDRAVIV-OFNKIYASSA-N 1 1 437.584 4.889 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC ZINC000036346395 569081036 /nfs/dbraw/zinc/08/10/36/569081036.db2.gz HWKBFEXTRVCECD-JOCHJYFZSA-N 1 1 441.547 4.722 50 0 IJAAMO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)s3)no2)cc1 ZINC000065062959 569097786 /nfs/dbraw/zinc/09/77/86/569097786.db2.gz SBZSZEUMCSKTBP-UHFFFAOYSA-N 1 1 432.549 4.635 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000002308460 569272141 /nfs/dbraw/zinc/27/21/41/569272141.db2.gz KHNHWZMUOWMGQP-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000020183118 569355534 /nfs/dbraw/zinc/35/55/34/569355534.db2.gz JWKFQGMUADTQAS-KDURUIRLSA-N 1 1 439.673 4.798 50 0 IJAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000095954684 569376868 /nfs/dbraw/zinc/37/68/68/569376868.db2.gz HZHFQRYOWFJABM-DLBZAZTESA-N 1 1 433.321 4.737 50 0 IJAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275700 569388426 /nfs/dbraw/zinc/38/84/26/569388426.db2.gz RPOHUZMGBBWSRU-XMMPIXPASA-N 1 1 433.596 4.815 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)c1 ZINC000002915248 569425136 /nfs/dbraw/zinc/42/51/36/569425136.db2.gz TYZHQMGJOCTEAY-RPBOFIJWSA-N 1 1 438.487 4.508 50 0 IJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCN2CCCC2=O)c1 ZINC000002974722 569433520 /nfs/dbraw/zinc/43/35/20/569433520.db2.gz XVJTZCITXXASCI-UHFFFAOYSA-N 1 1 425.536 4.820 50 0 IJAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000230195737 569439967 /nfs/dbraw/zinc/43/99/67/569439967.db2.gz DLUOLNUWOQNETR-MBSDFSHPSA-N 1 1 441.934 4.794 50 0 IJAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+]Cc1ccccc1Cl ZINC000057911359 569442851 /nfs/dbraw/zinc/44/28/51/569442851.db2.gz YJWVYIUSSQYHNH-UHFFFAOYSA-N 1 1 428.941 4.974 50 0 IJAAMO Cc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546410 569463607 /nfs/dbraw/zinc/46/36/07/569463607.db2.gz BWPPKJWOWNUHHY-HXUWFJFHSA-N 1 1 429.973 4.892 50 0 IJAAMO CN(Cc1nc2ccccc2s1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008945579 569489089 /nfs/dbraw/zinc/48/90/89/569489089.db2.gz QDMVIUULJRWARQ-MRXNPFEDSA-N 1 1 436.606 4.744 50 0 IJAAMO CN(Cc1nc2ccccc2s1)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008945579 569489090 /nfs/dbraw/zinc/48/90/90/569489090.db2.gz QDMVIUULJRWARQ-MRXNPFEDSA-N 1 1 436.606 4.744 50 0 IJAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000245328867 569504017 /nfs/dbraw/zinc/50/40/17/569504017.db2.gz QIRRGZDBIHLBSI-GGAORHGYSA-N 1 1 446.994 4.826 50 0 IJAAMO Cc1cccc(C(=O)N[C@@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)c1 ZINC000009170141 569509235 /nfs/dbraw/zinc/50/92/35/569509235.db2.gz CLNSIKDNQYFEGP-SCTDSRPQSA-N 1 1 433.807 4.702 50 0 biogenic IJAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000009461056 569536985 /nfs/dbraw/zinc/53/69/85/569536985.db2.gz MZGXICYBIOGFRC-YADHBBJMSA-N 1 1 431.858 4.678 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009607191 569552045 /nfs/dbraw/zinc/55/20/45/569552045.db2.gz XXIMKIKOSXNPJL-AREMUKBSSA-N 1 1 443.547 4.600 50 0 IJAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c3ccccc3n2)cc1 ZINC000009680580 569560139 /nfs/dbraw/zinc/56/01/39/569560139.db2.gz HLFXOMYLALKMHF-IBGZPJMESA-N 1 1 432.568 4.839 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)[C@@H](c3ccco3)C2)cc1 ZINC000009823183 569569575 /nfs/dbraw/zinc/56/95/75/569569575.db2.gz PZFKBUVCFMKXLV-NHCUHLMSSA-N 1 1 435.549 4.865 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)[C@@H](c3ccco3)C2)cc1 ZINC000009823183 569569576 /nfs/dbraw/zinc/56/95/76/569569576.db2.gz PZFKBUVCFMKXLV-NHCUHLMSSA-N 1 1 435.549 4.865 50 0 IJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C(N)=O)CC2)cc1Cl ZINC000002974854 132260003 /nfs/dbraw/zinc/26/00/03/132260003.db2.gz XCHUKIFGQWVYOX-UHFFFAOYSA-N 1 1 445.954 4.751 50 0 IJAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2Cl)CC1 ZINC000009934694 132332212 /nfs/dbraw/zinc/33/22/12/132332212.db2.gz YCRBBFATOVKURH-UHFFFAOYSA-N 1 1 436.383 4.770 50 0 IJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000013117080 132345133 /nfs/dbraw/zinc/34/51/33/132345133.db2.gz UIXIDZWOXQOVCY-OAQYLSRUSA-N 1 1 445.563 4.775 50 0 IJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000013117080 132345135 /nfs/dbraw/zinc/34/51/35/132345135.db2.gz UIXIDZWOXQOVCY-OAQYLSRUSA-N 1 1 445.563 4.775 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000021662885 519708055 /nfs/dbraw/zinc/70/80/55/519708055.db2.gz NXLBVOOVQGUKLW-LJQANCHMSA-N 1 1 444.579 4.855 50 0 IJAAMO CCOC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000012413600 520993802 /nfs/dbraw/zinc/99/38/02/520993802.db2.gz GZYWNKRXPQCTJH-UHFFFAOYSA-N 1 1 447.535 4.905 50 0 IJAAMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000012537748 521518266 /nfs/dbraw/zinc/51/82/66/521518266.db2.gz CQDOXWKVXQQDDA-HXUWFJFHSA-N 1 1 447.019 4.732 50 0 IJAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750452 521543757 /nfs/dbraw/zinc/54/37/57/521543757.db2.gz MZCHJNXYJNUAFQ-CLOONOSVSA-N 1 1 441.535 4.697 50 0 IJAAMO CCN1C[C@H](C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1=O ZINC000012223778 521729912 /nfs/dbraw/zinc/72/99/12/521729912.db2.gz RZFVNWOUCKZLIS-NRFANRHFSA-N 1 1 442.563 4.645 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)cc(OC)c1 ZINC000012586637 522654844 /nfs/dbraw/zinc/65/48/44/522654844.db2.gz YRJXMKTYJSEOJZ-QGZVFWFLSA-N 1 1 431.602 4.915 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)cc(OC)c1 ZINC000012586637 522654850 /nfs/dbraw/zinc/65/48/50/522654850.db2.gz YRJXMKTYJSEOJZ-QGZVFWFLSA-N 1 1 431.602 4.915 50 0 IJAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)C1CCCCC1 ZINC000035528878 522758186 /nfs/dbraw/zinc/75/81/86/522758186.db2.gz YFWIBBCFQKGYJC-UHFFFAOYSA-N 1 1 449.039 4.745 50 0 IJAAMO Cn1nc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000035506706 522768439 /nfs/dbraw/zinc/76/84/39/522768439.db2.gz JSRXBXKQYCIEKM-UHFFFAOYSA-N 1 1 433.021 4.731 50 0 IJAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1OC ZINC000012744486 522922441 /nfs/dbraw/zinc/92/24/41/522922441.db2.gz VZCBNSOFBYOTBH-NRFANRHFSA-N 1 1 434.536 4.952 50 0 IJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)o1 ZINC000012578528 522973050 /nfs/dbraw/zinc/97/30/50/522973050.db2.gz BMLKHAXNBJFFTL-OAQYLSRUSA-N 1 1 434.536 4.952 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCc2c(C)n[nH]c2C)c(F)c1 ZINC000020999709 523244660 /nfs/dbraw/zinc/24/46/60/523244660.db2.gz FQHLBNZGTPFXIB-UHFFFAOYSA-N 1 1 433.531 4.701 50 0 IJAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158136 524009911 /nfs/dbraw/zinc/00/99/11/524009911.db2.gz KMCUPSMKHMSOSX-QGZVFWFLSA-N 1 1 439.556 4.981 50 0 IJAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158136 524009914 /nfs/dbraw/zinc/00/99/14/524009914.db2.gz KMCUPSMKHMSOSX-QGZVFWFLSA-N 1 1 439.556 4.981 50 0 IJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)C1 ZINC000021916092 524087350 /nfs/dbraw/zinc/08/73/50/524087350.db2.gz ACNHLCFRGZDDDA-NRFANRHFSA-N 1 1 448.611 4.913 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1Cl ZINC000012208685 524484429 /nfs/dbraw/zinc/48/44/29/524484429.db2.gz GKLNHCWIUUAMMN-OAHLLOKOSA-N 1 1 437.009 4.502 50 0 IJAAMO COc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[NH+](C)C ZINC000012754352 524733747 /nfs/dbraw/zinc/73/37/47/524733747.db2.gz AMQYCHAFGIEYBO-OAQYLSRUSA-N 1 1 446.576 4.642 50 0 IJAAMO C[C@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c2C1=O ZINC000015004455 526154849 /nfs/dbraw/zinc/15/48/49/526154849.db2.gz XOAIWKKCURUBNK-QGZVFWFLSA-N 1 1 449.551 4.567 50 0 IJAAMO Cc1ccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000012661419 526212226 /nfs/dbraw/zinc/21/22/26/526212226.db2.gz ZOLFVJQELZIKQS-YQVWRLOYSA-N 1 1 433.807 4.702 50 0 biogenic IJAAMO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN(Cc4nc(COc5ccccc5)no4)C3)C2)cc1 ZINC000012472080 526468651 /nfs/dbraw/zinc/46/86/51/526468651.db2.gz YEWFSVPHLHRDLG-AREMUKBSSA-N 1 1 432.568 4.527 50 0 IJAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1ccc2ncccc2c1 ZINC000020906483 526496138 /nfs/dbraw/zinc/49/61/38/526496138.db2.gz WSHIPGKJAMJRBE-MHZLTWQESA-N 1 1 437.543 4.877 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000021367948 526747912 /nfs/dbraw/zinc/74/79/12/526747912.db2.gz XXGBNCVPURAWAT-KRWDZBQOSA-N 1 1 429.973 4.893 50 0 IJAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021236652 526863873 /nfs/dbraw/zinc/86/38/73/526863873.db2.gz ILSDIZRJNLZRNU-UHFFFAOYSA-N 1 1 428.561 4.559 50 0 IJAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151799 527407954 /nfs/dbraw/zinc/40/79/54/527407954.db2.gz YKZBPQTVEJVGLN-SANMLTNESA-N 1 1 445.607 4.617 50 0 IJAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151799 527407958 /nfs/dbraw/zinc/40/79/58/527407958.db2.gz YKZBPQTVEJVGLN-SANMLTNESA-N 1 1 445.607 4.617 50 0 IJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000000635924 555516755 /nfs/dbraw/zinc/51/67/55/555516755.db2.gz FPQUAGOGEBQRCM-RPBOFIJWSA-N 1 1 438.487 4.508 50 0 IJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667470 555791744 /nfs/dbraw/zinc/79/17/44/555791744.db2.gz NUQTWZICLHFEPO-AFMDSPMNSA-N 1 1 432.539 4.877 50 0 IJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667470 555791746 /nfs/dbraw/zinc/79/17/46/555791746.db2.gz NUQTWZICLHFEPO-AFMDSPMNSA-N 1 1 432.539 4.877 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccco3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034683788 555819444 /nfs/dbraw/zinc/81/94/44/555819444.db2.gz JDOVFHNCGJWLJJ-UHFFFAOYSA-N 1 1 428.529 4.587 50 0 IJAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757395 556009691 /nfs/dbraw/zinc/00/96/91/556009691.db2.gz UPQBLAFPWQJXMK-UHFFFAOYSA-N 1 1 430.662 4.703 50 0 IJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000004931297 556021479 /nfs/dbraw/zinc/02/14/79/556021479.db2.gz XMHIHKAENWYQKY-DEOSSOPVSA-N 1 1 430.589 4.555 50 0 IJAAMO O=C(c1cn2cc(Cl)ccc2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013690242 556279299 /nfs/dbraw/zinc/27/92/99/556279299.db2.gz OICWHQLITROFBW-UHFFFAOYSA-N 1 1 430.939 4.535 50 0 IJAAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Br)cc1F ZINC000010139693 556326887 /nfs/dbraw/zinc/32/68/87/556326887.db2.gz MSEGRAFHXDWQQV-UHFFFAOYSA-N 1 1 430.321 4.888 50 0 IJAAMO CCn1nc(C)c(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)c1C ZINC000011878436 556371037 /nfs/dbraw/zinc/37/10/37/556371037.db2.gz IBSMIXDKWMJVCU-OAQYLSRUSA-N 1 1 436.566 4.925 50 0 IJAAMO COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+](CCc4ccc(Cl)cc4)C3)cc2c1 ZINC000011949444 556380289 /nfs/dbraw/zinc/38/02/89/556380289.db2.gz FFBUDKUIFXCPSO-IBGZPJMESA-N 1 1 439.987 4.857 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)cc(OC)c1 ZINC000011956456 556381143 /nfs/dbraw/zinc/38/11/43/556381143.db2.gz CQQMLWVTSALLKU-HXUWFJFHSA-N 1 1 448.567 4.520 50 0 IJAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014538634 556424619 /nfs/dbraw/zinc/42/46/19/556424619.db2.gz NAWICQXBQIRZNT-VQTJNVASSA-N 1 1 449.517 4.534 50 0 IJAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000072273505 556452317 /nfs/dbraw/zinc/45/23/17/556452317.db2.gz PZBQFPALUWTKII-OAQYLSRUSA-N 1 1 429.008 4.668 50 0 IJAAMO CC[C@H](C)C(=O)Nc1c2ccc(C[N@@H+](C)CCc3ccccc3)nc2sc1C(=O)OC ZINC000014882704 556454461 /nfs/dbraw/zinc/45/44/61/556454461.db2.gz FBNOCQPHIBAHGZ-INIZCTEOSA-N 1 1 439.581 4.742 50 0 IJAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000014950339 556460261 /nfs/dbraw/zinc/46/02/61/556460261.db2.gz UUBWUOAYFRHAGM-LJQANCHMSA-N 1 1 442.625 4.822 50 0 IJAAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)c(=O)n(-c2ccccc2)n1C ZINC000014963783 556465112 /nfs/dbraw/zinc/46/51/12/556465112.db2.gz FDHPJHOTEVPZNF-JOCHJYFZSA-N 1 1 439.559 4.733 50 0 IJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000013117308 556469751 /nfs/dbraw/zinc/46/97/51/556469751.db2.gz ZQJJPOARLHROBW-XMMPIXPASA-N 1 1 433.577 4.520 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC(=O)Nc3c(C)cccc3C)c2c1C ZINC000013117598 556470528 /nfs/dbraw/zinc/47/05/28/556470528.db2.gz PKABIAQCRAPHGW-UHFFFAOYSA-N 1 1 437.613 4.596 50 0 IJAAMO COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000015946331 556567416 /nfs/dbraw/zinc/56/74/16/556567416.db2.gz KGZQGRZFBSIMRM-KRWDZBQOSA-N 1 1 436.375 4.715 50 0 IJAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2F)CC[C@H](C)C3)CC1 ZINC000015946883 556567782 /nfs/dbraw/zinc/56/77/82/556567782.db2.gz RSBKISSDZLIRFG-INIZCTEOSA-N 1 1 443.588 4.935 50 0 IJAAMO COc1c2c(cc3c1[C@H]([C@H]1c4ccccc4-c4ccc(C(C)=O)cc41)[N@@H+](C)CC3)OCO2 ZINC000033697575 556622270 /nfs/dbraw/zinc/62/22/70/556622270.db2.gz LQTAEKCRFQHJPA-LOSJGSFVSA-N 1 1 427.500 4.968 50 0 biogenic IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1sc(C)nc1-c1ccccc1 ZINC000409415146 556641621 /nfs/dbraw/zinc/64/16/21/556641621.db2.gz VCJUFJHEDNZFJQ-FCHUYYIVSA-N 1 1 441.641 4.862 50 0 biogenic IJAAMO Cc1ccccc1-c1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000055054506 556732976 /nfs/dbraw/zinc/73/29/76/556732976.db2.gz WQJBSJKYORWZIT-HSZRJFAPSA-N 1 1 432.587 4.978 50 0 IJAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000055198485 556737682 /nfs/dbraw/zinc/73/76/82/556737682.db2.gz SUQLMDOIGURUJW-PDAIQNRNSA-N 1 1 447.623 4.795 50 0 IJAAMO O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000058019073 556754496 /nfs/dbraw/zinc/75/44/96/556754496.db2.gz KGCUTWKVTFNBML-UHFFFAOYSA-N 1 1 431.605 4.659 50 0 IJAAMO Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCC([N@H+](C)C(C)C)CC3)c2c1C ZINC000058210567 556772300 /nfs/dbraw/zinc/77/23/00/556772300.db2.gz BWPRGNFSVYSWFC-UHFFFAOYSA-N 1 1 429.678 4.849 50 0 IJAAMO O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019637471 556836007 /nfs/dbraw/zinc/83/60/07/556836007.db2.gz ACANTOUQJZYKNB-UHFFFAOYSA-N 1 1 442.950 4.908 50 0 IJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000015953655 556880397 /nfs/dbraw/zinc/88/03/97/556880397.db2.gz UWRQLAGOUKFNKV-PMWMKWCKSA-N 1 1 425.569 4.889 50 0 biogenic IJAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1C ZINC000019841272 556929883 /nfs/dbraw/zinc/92/98/83/556929883.db2.gz CMXNIYJVEBOAEJ-UHFFFAOYSA-N 1 1 438.369 4.669 50 0 IJAAMO O=C(c1cc(-c2cccc(O)c2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137584 556988793 /nfs/dbraw/zinc/98/87/93/556988793.db2.gz MVOAMHJMSMWMRC-UHFFFAOYSA-N 1 1 439.515 4.595 50 0 IJAAMO O[C@H](CSc1ccc(F)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421542 557015173 /nfs/dbraw/zinc/01/51/73/557015173.db2.gz OMVPTGIFRBDWKQ-DEOSSOPVSA-N 1 1 436.596 4.686 50 0 IJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181231 557045022 /nfs/dbraw/zinc/04/50/22/557045022.db2.gz MWWGIONUPWDDSS-NTKDMRAZSA-N 1 1 437.584 4.565 50 0 IJAAMO C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181251 557045462 /nfs/dbraw/zinc/04/54/62/557045462.db2.gz LBBOTFUYMWJUOG-CYFREDJKSA-N 1 1 437.584 4.565 50 0 IJAAMO O=C(CC[NH+]1CCN(CCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022930502 557049769 /nfs/dbraw/zinc/04/97/69/557049769.db2.gz JAMPGVRFZIHKJH-UHFFFAOYSA-N 1 1 429.564 4.668 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000048289444 557054504 /nfs/dbraw/zinc/05/45/04/557054504.db2.gz JTHXZZKPQCQSJJ-HXUWFJFHSA-N 1 1 432.568 4.750 50 0 IJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000048374738 557077087 /nfs/dbraw/zinc/07/70/87/557077087.db2.gz PMUPCIQLTFOQHO-XMMPIXPASA-N 1 1 433.621 4.935 50 0 IJAAMO O=c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2sc3c(n21)CCCC3 ZINC000023845833 557120325 /nfs/dbraw/zinc/12/03/25/557120325.db2.gz MCRXEAMAKMLJDV-HNNXBMFYSA-N 1 1 436.606 4.624 50 0 IJAAMO Cc1ccc(-c2csc(N3[NH2+]C4=C(COc5ccccc54)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957636 557159237 /nfs/dbraw/zinc/15/92/37/557159237.db2.gz IZUYGJHIILAGJL-MGPUTAFESA-N 1 1 431.439 4.602 50 0 IJAAMO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000026132421 557236048 /nfs/dbraw/zinc/23/60/48/557236048.db2.gz GQECYFKHUOEITQ-HXUWFJFHSA-N 1 1 443.544 4.886 50 0 IJAAMO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000032952978 557256610 /nfs/dbraw/zinc/25/66/10/557256610.db2.gz SWXUYXIAXHANGD-UHFFFAOYSA-N 1 1 436.559 4.783 50 0 IJAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104938295 557466114 /nfs/dbraw/zinc/46/61/14/557466114.db2.gz BQBCJGFSDCSDBZ-WZONZLPQSA-N 1 1 441.616 4.762 50 0 IJAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)cc1 ZINC000014992179 557837520 /nfs/dbraw/zinc/83/75/20/557837520.db2.gz TWCMBOJJWUPNDK-UHFFFAOYSA-N 1 1 433.504 4.552 50 0 IJAAMO COC(=O)c1ccc(C[N@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)cc1 ZINC000014992179 557837522 /nfs/dbraw/zinc/83/75/22/557837522.db2.gz TWCMBOJJWUPNDK-UHFFFAOYSA-N 1 1 433.504 4.552 50 0 IJAAMO CCCOc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[N@@H+](C)CC3)n2)cc1 ZINC000238881728 557841760 /nfs/dbraw/zinc/84/17/60/557841760.db2.gz BDOILCIEBYNMCD-UHFFFAOYSA-N 1 1 443.551 4.883 50 0 IJAAMO CC[N@H+](Cc1ccccc1)C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009283104 562968860 /nfs/dbraw/zinc/96/88/60/562968860.db2.gz WEXBZFNAXBELQT-DEOSSOPVSA-N 1 1 435.564 4.693 50 0 IJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009502781 562972376 /nfs/dbraw/zinc/97/23/76/562972376.db2.gz JKGGFVABTBFVOC-LJQANCHMSA-N 1 1 445.592 4.917 50 0 IJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009502781 562972378 /nfs/dbraw/zinc/97/23/78/562972378.db2.gz JKGGFVABTBFVOC-LJQANCHMSA-N 1 1 445.592 4.917 50 0 IJAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000023316489 568618097 /nfs/dbraw/zinc/61/80/97/568618097.db2.gz OXWMMCJOPTUKDW-IBGZPJMESA-N 1 1 434.584 4.993 50 0 IJAAMO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000104999517 568623970 /nfs/dbraw/zinc/62/39/70/568623970.db2.gz LDNYLGCHROVPMQ-HSZRJFAPSA-N 1 1 437.584 4.504 50 0 IJAAMO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000015671345 568802999 /nfs/dbraw/zinc/80/29/99/568802999.db2.gz ZHDJCQUOOYTZNP-UHFFFAOYSA-N 1 1 437.569 4.628 50 0 IJAAMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016627693 568926763 /nfs/dbraw/zinc/92/67/63/568926763.db2.gz RVTYDQOIEPGQLP-UHFFFAOYSA-N 1 1 449.334 4.965 50 0 IJAAMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016627693 568926764 /nfs/dbraw/zinc/92/67/64/568926764.db2.gz RVTYDQOIEPGQLP-UHFFFAOYSA-N 1 1 449.334 4.965 50 0 IJAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C)c(C)c4)c3NC3CCCCC3)s2)CC1 ZINC000064746062 568949418 /nfs/dbraw/zinc/94/94/18/568949418.db2.gz DAQPESWXIYVRJG-UHFFFAOYSA-N 1 1 438.645 4.961 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306470 568995666 /nfs/dbraw/zinc/99/56/66/568995666.db2.gz SWFVRVYAOLZGLX-QFIPXVFZSA-N 1 1 435.568 4.550 50 0 IJAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306518 568995676 /nfs/dbraw/zinc/99/56/76/568995676.db2.gz NGUZBWZGVJDSFJ-UPVQGACJSA-N 1 1 449.595 4.940 50 0 IJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)C(C)C ZINC000036306310 568995725 /nfs/dbraw/zinc/99/57/25/568995725.db2.gz DOXDKHSIABABJF-XMMPIXPASA-N 1 1 437.584 4.653 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341026 569079207 /nfs/dbraw/zinc/07/92/07/569079207.db2.gz WSFYTGRUROCQSG-QFIPXVFZSA-N 1 1 441.959 4.521 50 0 IJAAMO Cc1ccccc1-c1cc(C(=O)N(CC[N@@H+](C)C2CC2)C2CC2)c2cnn(C(C)C)c2n1 ZINC000170606115 569143928 /nfs/dbraw/zinc/14/39/28/569143928.db2.gz GNCRRNKZOOVPNJ-UHFFFAOYSA-N 1 1 431.584 4.686 50 0 IJAAMO COc1cc(OC)c(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1Cl ZINC000013323165 569155078 /nfs/dbraw/zinc/15/50/78/569155078.db2.gz YZTWTLBMCYSEGR-UHFFFAOYSA-N 1 1 431.964 4.830 50 0 IJAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000252444154 569183784 /nfs/dbraw/zinc/18/37/84/569183784.db2.gz FSUBNWJVMYDHSU-SBUREZEXSA-N 1 1 427.591 4.790 50 0 IJAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000252444154 569183785 /nfs/dbraw/zinc/18/37/85/569183785.db2.gz FSUBNWJVMYDHSU-SBUREZEXSA-N 1 1 427.591 4.790 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664635 569197185 /nfs/dbraw/zinc/19/71/85/569197185.db2.gz MNWKOVXZYAPSDN-NLFFAJNJSA-N 1 1 425.536 4.915 50 0 IJAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037572226 569201197 /nfs/dbraw/zinc/20/11/97/569201197.db2.gz YKDJFTRBGVVCOW-UHFFFAOYSA-N 1 1 442.531 4.825 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002308457 569271930 /nfs/dbraw/zinc/27/19/30/569271930.db2.gz KHNHWZMUOWMGQP-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO CC[NH+](CC)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002374535 569289318 /nfs/dbraw/zinc/28/93/18/569289318.db2.gz ZAXCKAWIQRKBIH-UHFFFAOYSA-N 1 1 444.583 4.778 50 0 IJAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1 ZINC000079073086 569324589 /nfs/dbraw/zinc/32/45/89/569324589.db2.gz WNBMOJUDXUPWBN-UHFFFAOYSA-N 1 1 436.600 4.831 50 0 IJAAMO CC(C)c1ccc(Nc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020212450 569356323 /nfs/dbraw/zinc/35/63/23/569356323.db2.gz DIPDPSZYHYKSSL-UHFFFAOYSA-N 1 1 432.568 4.554 50 0 IJAAMO O=C(c1ccc2c(c1)N(Cc1ccccc1)CCS2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020355094 569361229 /nfs/dbraw/zinc/36/12/29/569361229.db2.gz XILDSNZMNLBDPN-UHFFFAOYSA-N 1 1 443.616 4.757 50 0 IJAAMO Cc1ccc(N(C)CCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000095471652 569371982 /nfs/dbraw/zinc/37/19/82/569371982.db2.gz XGCCLKMVSIIMGK-UHFFFAOYSA-N 1 1 434.411 4.766 50 0 IJAAMO CCn1cc(Cl)c(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183708 569386045 /nfs/dbraw/zinc/38/60/45/569386045.db2.gz CRFBNEQIPPXMEZ-XMMPIXPASA-N 1 1 436.987 4.721 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000057315288 569430925 /nfs/dbraw/zinc/43/09/25/569430925.db2.gz VKAQIYKOZACMEO-RUZDIDTESA-N 1 1 433.596 4.789 50 0 IJAAMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)ccc1OC(F)F ZINC000003390741 569449247 /nfs/dbraw/zinc/44/92/47/569449247.db2.gz JTAHTENRNIKJAW-OAQYLSRUSA-N 1 1 443.490 4.835 50 0 IJAAMO C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000031161966 569454270 /nfs/dbraw/zinc/45/42/70/569454270.db2.gz GOOQONLSKHOZBB-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000031161966 569454271 /nfs/dbraw/zinc/45/42/71/569454271.db2.gz GOOQONLSKHOZBB-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000038535759 569463184 /nfs/dbraw/zinc/46/31/84/569463184.db2.gz JZDKTFAYRMOCNI-UHFFFAOYSA-N 1 1 446.473 4.594 50 0 IJAAMO CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546422 569463566 /nfs/dbraw/zinc/46/35/66/569463566.db2.gz PQLMGVZAHPSISD-OAQYLSRUSA-N 1 1 441.622 4.961 50 0 IJAAMO CCc1cc([C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546440 569463600 /nfs/dbraw/zinc/46/36/00/569463600.db2.gz ZGCWGOCJKZBWEB-JOCHJYFZSA-N 1 1 439.581 4.501 50 0 IJAAMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008709262 569470706 /nfs/dbraw/zinc/47/07/06/569470706.db2.gz BTLKBKGWRFMFRF-GOSISDBHSA-N 1 1 448.592 4.631 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119820 569489452 /nfs/dbraw/zinc/48/94/52/569489452.db2.gz FBPCUFCEIKTLFQ-GASCZTMLSA-N 1 1 427.599 4.722 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119820 569489453 /nfs/dbraw/zinc/48/94/53/569489453.db2.gz FBPCUFCEIKTLFQ-GASCZTMLSA-N 1 1 427.599 4.722 50 0 IJAAMO C[NH+](C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2F)s1 ZINC000009151870 569507639 /nfs/dbraw/zinc/50/76/39/569507639.db2.gz QYUAREKZHNPGJN-UHFFFAOYSA-N 1 1 447.535 4.875 50 0 IJAAMO C=C1C(NCCC[N@@H+](Cc2ccccc2)C(C)C)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000009251716 569515939 /nfs/dbraw/zinc/51/59/39/569515939.db2.gz DRZAIXVCRJPQRW-UHFFFAOYSA-N 1 1 439.625 4.667 50 0 IJAAMO Fc1cc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)ccc1Cl ZINC000009293552 569520294 /nfs/dbraw/zinc/52/02/94/569520294.db2.gz WQFFPBVYTVNRFG-FGZHOGPDSA-N 1 1 431.858 4.678 50 0 IJAAMO CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009309599 569521575 /nfs/dbraw/zinc/52/15/75/569521575.db2.gz ZPNSOLOXSDYRGJ-ZEQRLZLVSA-N 1 1 439.544 4.916 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CCCCC1 ZINC000069949394 569525191 /nfs/dbraw/zinc/52/51/91/569525191.db2.gz FRGHNXMCDARLBU-DEOSSOPVSA-N 1 1 447.623 4.871 50 0 IJAAMO COc1ccc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cc1OC ZINC000009662450 569557144 /nfs/dbraw/zinc/55/71/44/569557144.db2.gz PFLFEYSVPHAJAV-UHFFFAOYSA-N 1 1 438.597 4.795 50 0 IJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000045967927 569586905 /nfs/dbraw/zinc/58/69/05/569586905.db2.gz HYZUVBYESPFUEX-HXUWFJFHSA-N 1 1 432.568 4.807 50 0 IJAAMO CCCCc1nc2sc3c(nc(SC)nc3N3CC[NH+](C)CC3)c2c2c1CCC2 ZINC000005219742 132275010 /nfs/dbraw/zinc/27/50/10/132275010.db2.gz WUAQHCOKSICFQV-UHFFFAOYSA-N 1 1 427.643 4.545 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1C ZINC000014094225 132356046 /nfs/dbraw/zinc/35/60/46/132356046.db2.gz NEPQZHRONSYWHA-UHFFFAOYSA-N 1 1 449.624 4.759 50 0 IJAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427106 519736372 /nfs/dbraw/zinc/73/63/72/519736372.db2.gz HYKSXCJPHNJMKA-QHCPKHFHSA-N 1 1 434.609 4.797 50 0 IJAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427106 519736374 /nfs/dbraw/zinc/73/63/74/519736374.db2.gz HYKSXCJPHNJMKA-QHCPKHFHSA-N 1 1 434.609 4.797 50 0 IJAAMO CCN(Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012441062 521396351 /nfs/dbraw/zinc/39/63/51/521396351.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CCN(Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012441062 521396364 /nfs/dbraw/zinc/39/63/64/521396364.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012441062 521396372 /nfs/dbraw/zinc/39/63/72/521396372.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012441062 521396384 /nfs/dbraw/zinc/39/63/84/521396384.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000012453256 521440307 /nfs/dbraw/zinc/44/03/07/521440307.db2.gz LILCVNXADODBFG-UHFFFAOYSA-N 1 1 433.531 4.751 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3C)ccc2c1NC(=O)c1cccc(F)c1 ZINC000012247897 522434445 /nfs/dbraw/zinc/43/44/45/522434445.db2.gz ZWAKXGLTIMEEFR-CQSZACIVSA-N 1 1 441.528 4.849 50 0 IJAAMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012888630 522679035 /nfs/dbraw/zinc/67/90/35/522679035.db2.gz RGLRTGNTVYOASK-UHFFFAOYSA-N 1 1 432.710 4.685 50 0 IJAAMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012888630 522679049 /nfs/dbraw/zinc/67/90/49/522679049.db2.gz RGLRTGNTVYOASK-UHFFFAOYSA-N 1 1 432.710 4.685 50 0 IJAAMO CC[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868674 523690036 /nfs/dbraw/zinc/69/00/36/523690036.db2.gz ISPPOPNUNDOMIR-LEWJYISDSA-N 1 1 438.793 4.816 50 0 IJAAMO COCCN(Cc1nc(C(C)C)cs1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012709549 523775127 /nfs/dbraw/zinc/77/51/27/523775127.db2.gz AVFNCYGTBPFGFE-FQEVSTJZSA-N 1 1 427.658 4.594 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780775 523834201 /nfs/dbraw/zinc/83/42/01/523834201.db2.gz PLFZQWQVIPNSTO-CLOONOSVSA-N 1 1 441.535 4.615 50 0 IJAAMO COc1ccc(CC[N@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)cc1OC ZINC000020998269 523940845 /nfs/dbraw/zinc/94/08/45/523940845.db2.gz CTOIXKUPEQGDSE-UHFFFAOYSA-N 1 1 435.568 4.930 50 0 IJAAMO COc1ccc(CC[N@@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)cc1OC ZINC000020998269 523940849 /nfs/dbraw/zinc/94/08/49/523940849.db2.gz CTOIXKUPEQGDSE-UHFFFAOYSA-N 1 1 435.568 4.930 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c(OC)c1 ZINC000012596102 524048183 /nfs/dbraw/zinc/04/81/83/524048183.db2.gz YKDNCLGCGCSJIF-HXUWFJFHSA-N 1 1 447.579 4.561 50 0 IJAAMO Cc1cccc(-n2cc(C[NH+]3CCN(c4ccccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012835765 524144984 /nfs/dbraw/zinc/14/49/84/524144984.db2.gz HYEWJEWBPMYXKI-UHFFFAOYSA-N 1 1 427.527 4.704 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000021934658 524467803 /nfs/dbraw/zinc/46/78/03/524467803.db2.gz DOAYVTVJJXTOEW-QFIPXVFZSA-N 1 1 436.559 4.857 50 0 IJAAMO C[C@@H](C[N@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600792 524577502 /nfs/dbraw/zinc/57/75/02/524577502.db2.gz LNSLGMLKPKSAQM-KRWDZBQOSA-N 1 1 431.005 4.631 50 0 IJAAMO C[C@@H](C[N@@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600792 524577511 /nfs/dbraw/zinc/57/75/11/524577511.db2.gz LNSLGMLKPKSAQM-KRWDZBQOSA-N 1 1 431.005 4.631 50 0 IJAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1C ZINC000021795609 524643756 /nfs/dbraw/zinc/64/37/56/524643756.db2.gz PAROBEOFWFMBTE-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO COc1ccccc1[C@@H](CNC(=O)CCCSc1nc2ccccc2s1)[NH+](C)C ZINC000012737970 524729426 /nfs/dbraw/zinc/72/94/26/524729426.db2.gz FNJIOXMDXIKLHY-GOSISDBHSA-N 1 1 429.611 4.596 50 0 IJAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795493 524862220 /nfs/dbraw/zinc/86/22/20/524862220.db2.gz YMJPDUBCXJVGIQ-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795493 524862230 /nfs/dbraw/zinc/86/22/30/524862230.db2.gz YMJPDUBCXJVGIQ-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021795368 525323113 /nfs/dbraw/zinc/32/31/13/525323113.db2.gz PKLNLEKSUAWEPY-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031432 526289066 /nfs/dbraw/zinc/28/90/66/526289066.db2.gz GMMUDEGXZUZEBF-NRFANRHFSA-N 1 1 425.912 4.511 50 0 IJAAMO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000012585641 526458616 /nfs/dbraw/zinc/45/86/16/526458616.db2.gz NEHCAKSEGNNNGZ-UHFFFAOYSA-N 1 1 438.522 4.960 50 0 IJAAMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c12 ZINC000022231122 526676414 /nfs/dbraw/zinc/67/64/14/526676414.db2.gz RNRQWECPMALKSA-UHFFFAOYSA-N 1 1 444.510 4.604 50 0 IJAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012586264 526698662 /nfs/dbraw/zinc/69/86/62/526698662.db2.gz NFSCKZLFDLMVOO-UHFFFAOYSA-N 1 1 431.927 4.562 50 0 IJAAMO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO1 ZINC000020763354 527449519 /nfs/dbraw/zinc/44/95/19/527449519.db2.gz BSKACKTYAIEHIH-GBXCKJPGSA-N 1 1 430.548 4.876 50 0 biogenic IJAAMO Cn1nc(-c2cccs2)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035293604 527538748 /nfs/dbraw/zinc/53/87/48/527538748.db2.gz RPIYCQVZIQALNE-UHFFFAOYSA-N 1 1 442.588 4.696 50 0 IJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635860 555516674 /nfs/dbraw/zinc/51/66/74/555516674.db2.gz XDEVMUFJFXTOJO-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667468 555791395 /nfs/dbraw/zinc/79/13/95/555791395.db2.gz NUQTWZICLHFEPO-SIBVEZHUSA-N 1 1 432.539 4.877 50 0 IJAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667468 555791398 /nfs/dbraw/zinc/79/13/98/555791398.db2.gz NUQTWZICLHFEPO-SIBVEZHUSA-N 1 1 432.539 4.877 50 0 IJAAMO Cc1cccc(CNC(=O)c2cccc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)c2)c1 ZINC000034668128 555792403 /nfs/dbraw/zinc/79/24/03/555792403.db2.gz WOCKLSOJUKXAFY-UHFFFAOYSA-N 1 1 427.592 4.864 50 0 IJAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699008 555812719 /nfs/dbraw/zinc/81/27/19/555812719.db2.gz JJWJJJGCPSDGGV-JYFHCDHNSA-N 1 1 433.571 4.931 50 0 IJAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034683650 555819109 /nfs/dbraw/zinc/81/91/09/555819109.db2.gz FXBZRXIUDHHEPH-UHFFFAOYSA-N 1 1 441.984 4.595 50 0 IJAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000008670539 556198226 /nfs/dbraw/zinc/19/82/26/556198226.db2.gz VMFABBZIIJAPEI-GOSISDBHSA-N 1 1 444.318 4.646 50 0 IJAAMO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000032738488 556308574 /nfs/dbraw/zinc/30/85/74/556308574.db2.gz NRPRRVBQYRSJBD-UHFFFAOYSA-N 1 1 441.572 4.672 50 0 IJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)c(C)c1 ZINC000011842395 556365983 /nfs/dbraw/zinc/36/59/83/556365983.db2.gz DFZYRPKSKLZHHQ-IBGZPJMESA-N 1 1 431.536 4.605 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000011843187 556366248 /nfs/dbraw/zinc/36/62/48/556366248.db2.gz DPIJWKWLWSDPMI-UHFFFAOYSA-N 1 1 437.506 4.871 50 0 IJAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000014115178 556370669 /nfs/dbraw/zinc/37/06/69/556370669.db2.gz IAAWDBISKNXRRS-DEOSSOPVSA-N 1 1 432.564 4.589 50 0 IJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000014115178 556370673 /nfs/dbraw/zinc/37/06/73/556370673.db2.gz IAAWDBISKNXRRS-DEOSSOPVSA-N 1 1 432.564 4.589 50 0 IJAAMO O=C(c1ccc(SC(F)(F)F)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014181674 556382462 /nfs/dbraw/zinc/38/24/62/556382462.db2.gz KZMMAXPPAOJNAS-UHFFFAOYSA-N 1 1 431.483 4.805 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1)NC1CC1 ZINC000012051422 556392562 /nfs/dbraw/zinc/39/25/62/556392562.db2.gz XAFUDLOKAOEELN-OAQYLSRUSA-N 1 1 428.580 4.810 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000012074117 556396816 /nfs/dbraw/zinc/39/68/16/556396816.db2.gz MTNBVOZYQAWOBU-HNNXBMFYSA-N 1 1 444.988 4.984 50 0 IJAAMO Cc1c(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003725 556434562 /nfs/dbraw/zinc/43/45/62/556434562.db2.gz LWFKFMKCVIMSFJ-ZIAGYGMSSA-N 1 1 428.602 4.665 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029486104 556476587 /nfs/dbraw/zinc/47/65/87/556476587.db2.gz HZZCHVXMZSQLGM-XMMPIXPASA-N 1 1 429.520 4.505 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccccc1C ZINC000015068778 556494139 /nfs/dbraw/zinc/49/41/39/556494139.db2.gz OOUUXRGIEMMYGF-HNNXBMFYSA-N 1 1 437.565 4.876 50 0 IJAAMO c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ncccn2)c1 ZINC000015075145 556498818 /nfs/dbraw/zinc/49/88/18/556498818.db2.gz CNSCZJZSQVQGGX-XMMPIXPASA-N 1 1 444.627 4.709 50 0 IJAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)CCC3)cc1 ZINC000015946031 556567089 /nfs/dbraw/zinc/56/70/89/556567089.db2.gz IRBKKNKWSQXHHA-INIZCTEOSA-N 1 1 441.597 4.558 50 0 IJAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@H](C)C2)CCC3)cc1 ZINC000015946031 556567091 /nfs/dbraw/zinc/56/70/91/556567091.db2.gz IRBKKNKWSQXHHA-INIZCTEOSA-N 1 1 441.597 4.558 50 0 IJAAMO O=c1c(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)coc2ccc(Cl)cc12 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C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181462 557045243 /nfs/dbraw/zinc/04/52/43/557045243.db2.gz KTDAXBSSWSYASF-JPYJTQIMSA-N 1 1 429.605 4.836 50 0 IJAAMO C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181364 557045396 /nfs/dbraw/zinc/04/53/96/557045396.db2.gz JEKIDGXLWNNTSW-MBSDFSHPSA-N 1 1 429.605 4.836 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181733 557045832 /nfs/dbraw/zinc/04/58/32/557045832.db2.gz GBYSIDGCWDOYHF-YADARESESA-N 1 1 441.641 4.705 50 0 IJAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 ZINC000082048346 557056540 /nfs/dbraw/zinc/05/65/40/557056540.db2.gz KFRJJKIFLVUUAD-HXUWFJFHSA-N 1 1 441.568 4.755 50 0 IJAAMO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000033318595 557100253 /nfs/dbraw/zinc/10/02/53/557100253.db2.gz SVXNPYIRHVUPKC-UHFFFAOYSA-N 1 1 432.528 4.572 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908544 557125045 /nfs/dbraw/zinc/12/50/45/557125045.db2.gz KMKMNLDRYMLLCL-MHZLTWQESA-N 1 1 443.591 4.605 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000023908544 557125048 /nfs/dbraw/zinc/12/50/48/557125048.db2.gz KMKMNLDRYMLLCL-MHZLTWQESA-N 1 1 443.591 4.605 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939090 557411400 /nfs/dbraw/zinc/41/14/00/557411400.db2.gz DPENKBAAZIMTTB-KRWDZBQOSA-N 1 1 425.598 4.621 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C3CSCCSC3)C2)cc1Cl ZINC000012055917 557525629 /nfs/dbraw/zinc/52/56/29/557525629.db2.gz FABCDNJSBYBYHL-HNNXBMFYSA-N 1 1 429.051 4.628 50 0 IJAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 ZINC000009390612 562969827 /nfs/dbraw/zinc/96/98/27/562969827.db2.gz IIAWGOPFICBZDR-UHFFFAOYSA-N 1 1 433.986 4.734 50 0 IJAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 ZINC000009390612 562969828 /nfs/dbraw/zinc/96/98/28/562969828.db2.gz IIAWGOPFICBZDR-UHFFFAOYSA-N 1 1 433.986 4.734 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000015080461 568636699 /nfs/dbraw/zinc/63/66/99/568636699.db2.gz LQSRGWPIIYFKAO-OAHLLOKOSA-N 1 1 428.920 4.516 50 0 IJAAMO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517385 568876725 /nfs/dbraw/zinc/87/67/25/568876725.db2.gz MFRRTMMMZDOFQG-IQMFZBJNSA-N 1 1 434.565 4.749 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)cc1 ZINC000252448884 568919692 /nfs/dbraw/zinc/91/96/92/568919692.db2.gz LCJKIRWXYIGIAU-KUONEPGYSA-N 1 1 439.625 4.958 50 0 IJAAMO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000064657448 568942354 /nfs/dbraw/zinc/94/23/54/568942354.db2.gz UGHFOOIIWBVCCW-UHFFFAOYSA-N 1 1 429.589 4.934 50 0 IJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)CC(C)(C)O)nc(=O)c23)c(C)c1 ZINC000036206474 568972798 /nfs/dbraw/zinc/97/27/98/568972798.db2.gz BJLLURONAZJIQC-UHFFFAOYSA-N 1 1 427.614 4.887 50 0 IJAAMO O=C(NCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169678471 568989874 /nfs/dbraw/zinc/98/98/74/568989874.db2.gz XGUUEOUGZUVNIB-AHWVRZQESA-N 1 1 445.994 4.520 50 0 IJAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)C1 ZINC000169680840 568991269 /nfs/dbraw/zinc/99/12/69/568991269.db2.gz LFEOCHOWKMPYEG-FTJBHMTQSA-N 1 1 444.575 4.568 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)CC)C[C@@H]1CCCO1 ZINC000036302999 568993612 /nfs/dbraw/zinc/99/36/12/568993612.db2.gz HTBIWVINXKINFT-VWNXMTODSA-N 1 1 449.595 4.979 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)CC)C[C@@H]1CCCO1 ZINC000036302999 568993615 /nfs/dbraw/zinc/99/36/15/568993615.db2.gz HTBIWVINXKINFT-VWNXMTODSA-N 1 1 449.595 4.979 50 0 IJAAMO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306434 568995606 /nfs/dbraw/zinc/99/56/06/568995606.db2.gz VIOXYWLTQLKCDJ-HSZRJFAPSA-N 1 1 449.595 4.938 50 0 IJAAMO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306432 568995744 /nfs/dbraw/zinc/99/57/44/568995744.db2.gz VIOXYWLTQLKCDJ-QHCPKHFHSA-N 1 1 449.595 4.938 50 0 IJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CCCC1 ZINC000036312160 568997570 /nfs/dbraw/zinc/99/75/70/568997570.db2.gz YYYQTMKBTMZLOZ-GOSISDBHSA-N 1 1 442.579 4.550 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@H]2C)[C@H](c2ccccc2Cl)C1 ZINC000036343922 569079845 /nfs/dbraw/zinc/07/98/45/569079845.db2.gz MDYUVQJJKIKMAP-VGSWGCGISA-N 1 1 425.960 4.901 50 0 IJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016891216 569165815 /nfs/dbraw/zinc/16/58/15/569165815.db2.gz SGWJIDQWSNWDNV-HXOBKFHXSA-N 1 1 441.547 4.708 50 0 IJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000002106299 569181163 /nfs/dbraw/zinc/18/11/63/569181163.db2.gz UWRQLAGOUKFNKV-YMVVMYQSSA-N 1 1 425.569 4.889 50 0 IJAAMO COc1ccccc1Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2sccc21 ZINC000037541465 569199305 /nfs/dbraw/zinc/19/93/05/569199305.db2.gz UYVKRZNJPBFGPO-UHFFFAOYSA-N 1 1 445.588 4.718 50 0 IJAAMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037570692 569201246 /nfs/dbraw/zinc/20/12/46/569201246.db2.gz JZOFYZPTZXLMQX-UHFFFAOYSA-N 1 1 442.531 4.825 50 0 IJAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000020241837 569358034 /nfs/dbraw/zinc/35/80/34/569358034.db2.gz VDZNAOUMJMAPGC-OAQYLSRUSA-N 1 1 429.564 4.508 50 0 IJAAMO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[N@H+]1CCCC[C@H]1CCO ZINC000095479064 569373620 /nfs/dbraw/zinc/37/36/20/569373620.db2.gz SAEDMNIMEGEWFI-IBGZPJMESA-N 1 1 432.520 4.955 50 0 IJAAMO O=C(CCc1cccc(OCc2ccccc2)c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685557 569406902 /nfs/dbraw/zinc/40/69/02/569406902.db2.gz SUUVJPBPZBWUCW-HHHXNRCGSA-N 1 1 440.587 4.857 50 0 IJAAMO O=C(CCc1cccc(OCc2ccccc2)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685530 569406953 /nfs/dbraw/zinc/40/69/53/569406953.db2.gz SUUVJPBPZBWUCW-MHZLTWQESA-N 1 1 440.587 4.857 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000002915126 569424972 /nfs/dbraw/zinc/42/49/72/569424972.db2.gz KXNGOFYAYSRYLX-RPBOFIJWSA-N 1 1 438.487 4.508 50 0 IJAAMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000003049118 569438952 /nfs/dbraw/zinc/43/89/52/569438952.db2.gz DWQKKROHAGVIHJ-UHFFFAOYSA-N 1 1 434.005 4.911 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@@H](c1ccccc1Cl)O2 ZINC000009293541 569520234 /nfs/dbraw/zinc/52/02/34/569520234.db2.gz WWWIHJDDUKIGCL-DHIUTWEWSA-N 1 1 427.895 4.848 50 0 IJAAMO Fc1cc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)ccc1Cl ZINC000009293551 569520315 /nfs/dbraw/zinc/52/03/15/569520315.db2.gz WQFFPBVYTVNRFG-YADHBBJMSA-N 1 1 431.858 4.678 50 0 IJAAMO Cc1c(Cl)c(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12 ZINC000070017499 569528622 /nfs/dbraw/zinc/52/86/22/569528622.db2.gz MSCZXRMVKRHJNU-UHFFFAOYSA-N 1 1 449.938 4.622 50 0 IJAAMO COCCN(CCOC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000009531080 569545078 /nfs/dbraw/zinc/54/50/78/569545078.db2.gz HEXCCIYFHLJLHR-UHFFFAOYSA-N 1 1 436.943 4.840 50 0 IJAAMO COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)[NH+]2CCCC2)cc1 ZINC000009951588 569574537 /nfs/dbraw/zinc/57/45/37/569574537.db2.gz GLEFMKNARKIYCY-GOSISDBHSA-N 1 1 427.595 4.756 50 0 IJAAMO CC(C)[N@@H+](CCCNc1nc2c(cnn2C)c(Nc2ccc(F)cc2)n1)Cc1ccccc1 ZINC000021928577 519644136 /nfs/dbraw/zinc/64/41/36/519644136.db2.gz XOVPEHGDHBQZFN-UHFFFAOYSA-N 1 1 447.562 4.959 50 0 IJAAMO CCOc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962584 /nfs/dbraw/zinc/96/25/84/520962584.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 1 1 431.020 4.618 50 0 IJAAMO CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962591 /nfs/dbraw/zinc/96/25/91/520962591.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 1 1 431.020 4.618 50 0 IJAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750447 521547791 /nfs/dbraw/zinc/54/77/91/521547791.db2.gz MZCHJNXYJNUAFQ-UQBPGWFLSA-N 1 1 441.535 4.697 50 0 IJAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750458 521548376 /nfs/dbraw/zinc/54/83/76/521548376.db2.gz MZCHJNXYJNUAFQ-KBMIEXCESA-N 1 1 441.535 4.697 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)/C=C/c1cccc(F)c1 ZINC000012513344 522430937 /nfs/dbraw/zinc/43/09/37/522430937.db2.gz SVPJJURMHWUBDU-DHZHZOJOSA-N 1 1 441.528 4.714 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccco3)ccc2c1NC(=O)c1ccccc1C ZINC000012454513 522432348 /nfs/dbraw/zinc/43/23/48/522432348.db2.gz HRWDEWUZVYQLQL-UHFFFAOYSA-N 1 1 449.532 4.869 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccco3)ccc2c1NC(=O)c1ccccc1C ZINC000012454513 522432358 /nfs/dbraw/zinc/43/23/58/522432358.db2.gz HRWDEWUZVYQLQL-UHFFFAOYSA-N 1 1 449.532 4.869 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccco3)ccc2c1NC(=O)C1CCCCC1 ZINC000012206888 522432878 /nfs/dbraw/zinc/43/28/78/522432878.db2.gz JLDQYMWAUIIIBV-UHFFFAOYSA-N 1 1 441.553 4.827 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccco3)ccc2c1NC(=O)C1CCCCC1 ZINC000012206888 522432885 /nfs/dbraw/zinc/43/28/85/522432885.db2.gz JLDQYMWAUIIIBV-UHFFFAOYSA-N 1 1 441.553 4.827 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043120 523037087 /nfs/dbraw/zinc/03/70/87/523037087.db2.gz PJSVLVUCKIHMGS-AFMDSPMNSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043120 523037096 /nfs/dbraw/zinc/03/70/96/523037096.db2.gz PJSVLVUCKIHMGS-AFMDSPMNSA-N 1 1 430.548 4.622 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012585932 523042848 /nfs/dbraw/zinc/04/28/48/523042848.db2.gz XWWGVVJPCNDDOV-KRWDZBQOSA-N 1 1 439.909 4.781 50 0 IJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045729 523717682 /nfs/dbraw/zinc/71/76/82/523717682.db2.gz JFRXLBHXWRBDBF-VWLOTQADSA-N 1 1 434.605 4.891 50 0 IJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045729 523717689 /nfs/dbraw/zinc/71/76/89/523717689.db2.gz JFRXLBHXWRBDBF-VWLOTQADSA-N 1 1 434.605 4.891 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)c(OC)c1 ZINC000012581390 524048318 /nfs/dbraw/zinc/04/83/18/524048318.db2.gz BCJHLBIRCUBAPO-FQEVSTJZSA-N 1 1 447.579 4.561 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907881 524196723 /nfs/dbraw/zinc/19/67/23/524196723.db2.gz XKBUTLKAGHUAHL-HXUWFJFHSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907881 524196727 /nfs/dbraw/zinc/19/67/27/524196727.db2.gz XKBUTLKAGHUAHL-HXUWFJFHSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446994 525284004 /nfs/dbraw/zinc/28/40/04/525284004.db2.gz NSNMRRSJBXMBCJ-UIOOFZCWSA-N 1 1 437.967 4.701 50 0 IJAAMO Cc1c(O)ccc2c(CN3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc(=O)oc12 ZINC000022830641 525879227 /nfs/dbraw/zinc/87/92/27/525879227.db2.gz QTTSDLLSPIKBQV-UHFFFAOYSA-N 1 1 446.469 4.534 50 0 IJAAMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000012479974 526466765 /nfs/dbraw/zinc/46/67/65/526466765.db2.gz MAULWMUAVQGOBZ-DEOSSOPVSA-N 1 1 441.015 4.538 50 0 IJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035375719 526814923 /nfs/dbraw/zinc/81/49/23/526814923.db2.gz WAAAXVMBZZKAGF-ZGXDEKTJSA-N 1 1 443.934 4.643 50 0 IJAAMO Clc1cc2c(cc1CN(C[C@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000012748581 526930860 /nfs/dbraw/zinc/93/08/60/526930860.db2.gz GEIOXSOUFFZXNC-OAQYLSRUSA-N 1 1 435.008 4.704 50 0 IJAAMO O=C(Nc1cccc(Br)c1)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532104 527323951 /nfs/dbraw/zinc/32/39/51/527323951.db2.gz ZXGIICJBNZWUAG-KRWDZBQOSA-N 1 1 428.374 4.751 50 0 IJAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000009607264 535779742 /nfs/dbraw/zinc/77/97/42/535779742.db2.gz VIPXMIBZNCJFKO-UHFFFAOYSA-N 1 1 445.498 4.505 50 0 IJAAMO COc1ccccc1C[N@@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034755679 555900760 /nfs/dbraw/zinc/90/07/60/555900760.db2.gz RYCFULMWQKVUPL-UHFFFAOYSA-N 1 1 430.552 4.826 50 0 IJAAMO COc1ccccc1C[N@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034755679 555900761 /nfs/dbraw/zinc/90/07/61/555900761.db2.gz RYCFULMWQKVUPL-UHFFFAOYSA-N 1 1 430.552 4.826 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000010078988 556325325 /nfs/dbraw/zinc/32/53/25/556325325.db2.gz WNRWXCIOLYBXKN-XMMPIXPASA-N 1 1 438.543 4.591 50 0 IJAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348159 /nfs/dbraw/zinc/34/81/59/556348159.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 1 1 432.612 4.556 50 0 IJAAMO COCCN1CC[C@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348174 /nfs/dbraw/zinc/34/81/74/556348174.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 1 1 432.612 4.556 50 0 IJAAMO COCCN1CC[C@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348178 /nfs/dbraw/zinc/34/81/78/556348178.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 1 1 432.612 4.556 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1Cn1cccn1 ZINC000011843614 556366742 /nfs/dbraw/zinc/36/67/42/556366742.db2.gz PENGFPGDYHZNAP-OAQYLSRUSA-N 1 1 435.593 4.757 50 0 IJAAMO COCc1ccc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000011874933 556370995 /nfs/dbraw/zinc/37/09/95/556370995.db2.gz CGCMNRFEQMRLST-NRFANRHFSA-N 1 1 425.573 4.508 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccc(N4CCCC4=O)cc3)c2c1C ZINC000014141861 556376737 /nfs/dbraw/zinc/37/67/37/556376737.db2.gz KAEVKEPBQKIZJO-UHFFFAOYSA-N 1 1 435.597 4.643 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072726 556396062 /nfs/dbraw/zinc/39/60/62/556396062.db2.gz XGKPQOTUDWNYDG-SFHVURJKSA-N 1 1 445.629 4.592 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072726 556396063 /nfs/dbraw/zinc/39/60/63/556396063.db2.gz XGKPQOTUDWNYDG-SFHVURJKSA-N 1 1 445.629 4.592 50 0 IJAAMO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(SC)nc4)CC3)c2)c1 ZINC000012076033 556397418 /nfs/dbraw/zinc/39/74/18/556397418.db2.gz ZZYYEALDKMYZNP-UHFFFAOYSA-N 1 1 448.592 4.725 50 0 IJAAMO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000032622947 556410201 /nfs/dbraw/zinc/41/02/01/556410201.db2.gz SEKKIQJJMPCHJO-QFIPXVFZSA-N 1 1 439.943 4.961 50 0 IJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)sc2C1 ZINC000032841500 556427191 /nfs/dbraw/zinc/42/71/91/556427191.db2.gz HZMQQPGIIHFTOI-UHFFFAOYSA-N 1 1 448.470 4.980 50 0 IJAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)sc2C1 ZINC000032841500 556427193 /nfs/dbraw/zinc/42/71/93/556427193.db2.gz HZMQQPGIIHFTOI-UHFFFAOYSA-N 1 1 448.470 4.980 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCN3CCOCC3)c(C)o2)c2ccccc12 ZINC000014976003 556468423 /nfs/dbraw/zinc/46/84/23/556468423.db2.gz ZDMIVYFBGRKNCO-NRFANRHFSA-N 1 1 449.595 4.889 50 0 IJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000013117309 556469786 /nfs/dbraw/zinc/46/97/86/556469786.db2.gz ZQJJPOARLHROBW-DEOSSOPVSA-N 1 1 433.577 4.520 50 0 IJAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cccc(-c3ccccc3C)c1)CC2)C(C)C ZINC000014988815 556473653 /nfs/dbraw/zinc/47/36/53/556473653.db2.gz GTDVXILVRKNINQ-SANMLTNESA-N 1 1 445.611 4.535 50 0 IJAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029477602 556476193 /nfs/dbraw/zinc/47/61/93/556476193.db2.gz CDHPQRIQXGFXPB-RUZDIDTESA-N 1 1 438.955 4.662 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029483763 556476561 /nfs/dbraw/zinc/47/65/61/556476561.db2.gz JDBGSVKWDGTJBV-HSZRJFAPSA-N 1 1 429.520 4.505 50 0 IJAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005722 556488914 /nfs/dbraw/zinc/48/89/14/556488914.db2.gz JGGBCVUNYOKBQR-VBKZILBWSA-N 1 1 445.441 4.732 50 0 IJAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005722 556488916 /nfs/dbraw/zinc/48/89/16/556488916.db2.gz JGGBCVUNYOKBQR-VBKZILBWSA-N 1 1 445.441 4.732 50 0 IJAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]2CCC[N@H+]21 ZINC000013591808 556529741 /nfs/dbraw/zinc/52/97/41/556529741.db2.gz PGYPRCDEEGWUJY-MEWSVHOLSA-N 1 1 438.527 4.604 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000013595662 556531715 /nfs/dbraw/zinc/53/17/15/556531715.db2.gz HMDZNMMRZHHLQY-UHFFFAOYSA-N 1 1 439.474 4.833 50 0 IJAAMO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305181 556550145 /nfs/dbraw/zinc/55/01/45/556550145.db2.gz NNENWIDOPVCUAQ-HHHXNRCGSA-N 1 1 429.388 4.841 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000015972865 556570021 /nfs/dbraw/zinc/57/00/21/556570021.db2.gz WAAAXVMBZZKAGF-LNEBKTTKSA-N 1 1 443.934 4.643 50 0 IJAAMO COc1cc2c(cc1OC)C1(CCCC1)CC[N@@H+](C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000022589398 556578272 /nfs/dbraw/zinc/57/82/72/556578272.db2.gz CYYLCMOFLYTNBW-DEOSSOPVSA-N 1 1 441.568 4.966 50 0 IJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000034771164 556582445 /nfs/dbraw/zinc/58/24/45/556582445.db2.gz OSPIDPFZYXYNBW-APWZRJJASA-N 1 1 434.392 4.624 50 0 IJAAMO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000034864641 556584299 /nfs/dbraw/zinc/58/42/99/556584299.db2.gz NLQXWOAIDVRQDA-PXNSSMCTSA-N 1 1 429.429 4.706 50 0 IJAAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000016189139 556588526 /nfs/dbraw/zinc/58/85/26/556588526.db2.gz QWWRPAUAKQKSBS-UHFFFAOYSA-N 1 1 435.955 4.923 50 0 IJAAMO CCOc1cc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000016347313 556601634 /nfs/dbraw/zinc/60/16/34/556601634.db2.gz IICDIFOOUDVVBA-UHFFFAOYSA-N 1 1 432.589 4.874 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@@H](C)c2ccncn2)cc1F ZINC000055060818 556732960 /nfs/dbraw/zinc/73/29/60/556732960.db2.gz WUBXYPQMPCAXGY-SFHVURJKSA-N 1 1 431.515 4.978 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)[C@@H](C)c2ccncn2)cc1F ZINC000055060818 556732961 /nfs/dbraw/zinc/73/29/61/556732961.db2.gz WUBXYPQMPCAXGY-SFHVURJKSA-N 1 1 431.515 4.978 50 0 IJAAMO COc1ccc(OC[C@H](O)CNCC2([NH+]3CCCCC3)CCCCC2)c(C(C)(C)C)c1 ZINC000019360366 556745778 /nfs/dbraw/zinc/74/57/78/556745778.db2.gz CPQOFYKAQAVQAM-OAQYLSRUSA-N 1 1 432.649 4.511 50 0 IJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2)cc1 ZINC000058169958 556767774 /nfs/dbraw/zinc/76/77/74/556767774.db2.gz PJZMHRAXSYEKAN-DEOSSOPVSA-N 1 1 431.927 4.547 50 0 IJAAMO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)c(F)c3)s2)o1 ZINC000058175641 556769497 /nfs/dbraw/zinc/76/94/97/556769497.db2.gz XAHAISQDMMWTGQ-UHFFFAOYSA-N 1 1 428.533 4.553 50 0 IJAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209310 556771737 /nfs/dbraw/zinc/77/17/37/556771737.db2.gz QEBBOZLXHQHKGB-WBVHZDCISA-N 1 1 442.922 4.586 50 0 IJAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209310 556771739 /nfs/dbraw/zinc/77/17/39/556771739.db2.gz QEBBOZLXHQHKGB-WBVHZDCISA-N 1 1 442.922 4.586 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC000058223278 556773551 /nfs/dbraw/zinc/77/35/51/556773551.db2.gz SNSWSBOYOUSBKO-NRFANRHFSA-N 1 1 446.595 4.532 50 0 IJAAMO O=C(c1ccccc1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019759010 556902588 /nfs/dbraw/zinc/90/25/88/556902588.db2.gz VTCNFVKXLUZNKY-UHFFFAOYSA-N 1 1 435.365 4.997 50 0 IJAAMO COC(=O)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019859236 556932134 /nfs/dbraw/zinc/93/21/34/556932134.db2.gz AXIBPPSLVBQYBW-UHFFFAOYSA-N 1 1 445.588 4.577 50 0 IJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305736 557051978 /nfs/dbraw/zinc/05/19/78/557051978.db2.gz MNMHRRHTYKXWMA-CYBMUJFWSA-N 1 1 437.853 4.571 50 0 IJAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305736 557051983 /nfs/dbraw/zinc/05/19/83/557051983.db2.gz MNMHRRHTYKXWMA-CYBMUJFWSA-N 1 1 437.853 4.571 50 0 IJAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318344 557099712 /nfs/dbraw/zinc/09/97/12/557099712.db2.gz IUTLPZCOTZEZRY-UHFFFAOYSA-N 1 1 431.540 4.709 50 0 IJAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318344 557099714 /nfs/dbraw/zinc/09/97/14/557099714.db2.gz IUTLPZCOTZEZRY-UHFFFAOYSA-N 1 1 431.540 4.709 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000033318614 557100220 /nfs/dbraw/zinc/10/02/20/557100220.db2.gz CGTCKEJPZXURLC-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1OC ZINC000033318614 557100224 /nfs/dbraw/zinc/10/02/24/557100224.db2.gz CGTCKEJPZXURLC-UHFFFAOYSA-N 1 1 448.527 4.790 50 0 IJAAMO COc1cccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984877 557186200 /nfs/dbraw/zinc/18/62/00/557186200.db2.gz NAVMWSPOZJOVBZ-DFBJGRDBSA-N 1 1 426.520 4.912 50 0 IJAAMO C[N@H+]1CCCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4ccccc4)cc32)CC1 ZINC000104331452 557454278 /nfs/dbraw/zinc/45/42/78/557454278.db2.gz LGOFYLYYFKONDQ-UHFFFAOYSA-N 1 1 440.547 4.689 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@@H]2C)[C@@H](c2ccccc2Cl)C1 ZINC000105010378 557471949 /nfs/dbraw/zinc/47/19/49/557471949.db2.gz MDYUVQJJKIKMAP-HTAPYJJXSA-N 1 1 425.960 4.901 50 0 IJAAMO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1cccs1 ZINC000101214233 557545381 /nfs/dbraw/zinc/54/53/81/557545381.db2.gz DOUCZHOFEMSYAG-UHFFFAOYSA-N 1 1 437.078 4.546 50 0 IJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000009186757 562968048 /nfs/dbraw/zinc/96/80/48/562968048.db2.gz NREFQBVXBYJUDS-QHCPKHFHSA-N 1 1 428.561 4.593 50 0 IJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000009186757 562968049 /nfs/dbraw/zinc/96/80/49/562968049.db2.gz NREFQBVXBYJUDS-QHCPKHFHSA-N 1 1 428.561 4.593 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982588 568622908 /nfs/dbraw/zinc/62/29/08/568622908.db2.gz LFCJHFQREYYLMF-XZOQPEGZSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982571 568622925 /nfs/dbraw/zinc/62/29/25/568622925.db2.gz FAJVOJRUVQYTGQ-FGZHOGPDSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982571 568622928 /nfs/dbraw/zinc/62/29/28/568622928.db2.gz FAJVOJRUVQYTGQ-FGZHOGPDSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982591 568623140 /nfs/dbraw/zinc/62/31/40/568623140.db2.gz LFCJHFQREYYLMF-DHIUTWEWSA-N 1 1 448.966 4.508 50 0 IJAAMO O=C(NCc1ccsc1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000299770882 568756595 /nfs/dbraw/zinc/75/65/95/568756595.db2.gz SIYAQIMBHYZJGH-UGKGYDQZSA-N 1 1 448.617 4.676 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000015681415 568806639 /nfs/dbraw/zinc/80/66/39/568806639.db2.gz AOHINFKJOGCKTR-QFIPXVFZSA-N 1 1 433.600 4.664 50 0 IJAAMO CC[NH+](CC)c1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000006150416 568846984 /nfs/dbraw/zinc/84/69/84/568846984.db2.gz VEAFPOOWBXEDBF-UHFFFAOYSA-N 1 1 431.540 4.815 50 0 IJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991251 568941771 /nfs/dbraw/zinc/94/17/71/568941771.db2.gz KWNAYCFPKCAJOF-RUZDIDTESA-N 1 1 449.595 4.845 50 0 IJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991251 568941773 /nfs/dbraw/zinc/94/17/73/568941773.db2.gz KWNAYCFPKCAJOF-RUZDIDTESA-N 1 1 449.595 4.845 50 0 IJAAMO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000064677232 568944009 /nfs/dbraw/zinc/94/40/09/568944009.db2.gz NNDHACZXOHXGFZ-HXUWFJFHSA-N 1 1 436.625 4.825 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145980 568962214 /nfs/dbraw/zinc/96/22/14/568962214.db2.gz YYKWXHIMKIRGAC-RTWAWAEBSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145980 568962217 /nfs/dbraw/zinc/96/22/17/568962217.db2.gz YYKWXHIMKIRGAC-RTWAWAEBSA-N 1 1 448.966 4.650 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000036156266 568965220 /nfs/dbraw/zinc/96/52/20/568965220.db2.gz XOJQBYCQKWNGMU-DEOSSOPVSA-N 1 1 449.595 4.732 50 0 IJAAMO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036206230 568972699 /nfs/dbraw/zinc/97/26/99/568972699.db2.gz ZTFVBUWNSMKOLI-QGZVFWFLSA-N 1 1 434.005 4.924 50 0 IJAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036206230 568972701 /nfs/dbraw/zinc/97/27/01/568972701.db2.gz ZTFVBUWNSMKOLI-QGZVFWFLSA-N 1 1 434.005 4.924 50 0 IJAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000169681312 568991904 /nfs/dbraw/zinc/99/19/04/568991904.db2.gz JLOSUKYNZXAAGL-XZOQPEGZSA-N 1 1 430.976 4.731 50 0 IJAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305085 568994882 /nfs/dbraw/zinc/99/48/82/568994882.db2.gz VXCJSRHERMURIM-FQEVSTJZSA-N 1 1 443.975 4.752 50 0 IJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308590 568995616 /nfs/dbraw/zinc/99/56/16/568995616.db2.gz LDSOTLYOWRTZTJ-VWNXMTODSA-N 1 1 435.568 4.725 50 0 IJAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308590 568995617 /nfs/dbraw/zinc/99/56/17/568995617.db2.gz LDSOTLYOWRTZTJ-VWNXMTODSA-N 1 1 435.568 4.725 50 0 IJAAMO COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036341395 569079309 /nfs/dbraw/zinc/07/93/09/569079309.db2.gz CKLNOCXRVUUCTO-QFIPXVFZSA-N 1 1 425.960 4.758 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036345872 569080805 /nfs/dbraw/zinc/08/08/05/569080805.db2.gz DRRGDYPUKSYHRT-QHCPKHFHSA-N 1 1 437.584 4.889 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345955 569080833 /nfs/dbraw/zinc/08/08/33/569080833.db2.gz XBRXBRSPQHOFMA-XMMPIXPASA-N 1 1 449.595 4.891 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000036389540 569096539 /nfs/dbraw/zinc/09/65/39/569096539.db2.gz YOEKBHBRPRHEBT-CLJLJLNGSA-N 1 1 432.589 4.972 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000036389540 569096540 /nfs/dbraw/zinc/09/65/40/569096540.db2.gz YOEKBHBRPRHEBT-CLJLJLNGSA-N 1 1 432.589 4.972 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935727 569111781 /nfs/dbraw/zinc/11/17/81/569111781.db2.gz ZLEXQWXNECGRCB-GOSISDBHSA-N 1 1 429.008 4.924 50 0 IJAAMO CC(=O)Nc1cccc([C@H](C)OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC000170619569 569147611 /nfs/dbraw/zinc/14/76/11/569147611.db2.gz QCRINRPYCNDIIK-JHVJFLLYSA-N 1 1 434.458 4.560 50 0 IJAAMO CCCCN(CC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000019327724 569318281 /nfs/dbraw/zinc/31/82/81/569318281.db2.gz FUPHRLAFWMRUCX-UWHLTILDSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000019327724 569318282 /nfs/dbraw/zinc/31/82/82/569318282.db2.gz FUPHRLAFWMRUCX-UWHLTILDSA-N 1 1 426.476 4.975 50 0 IJAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccc(Cl)cc21 ZINC000020178911 569354716 /nfs/dbraw/zinc/35/47/16/569354716.db2.gz CCSDCULPDTZYSL-UHFFFAOYSA-N 1 1 444.000 4.788 50 0 IJAAMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)CC1 ZINC000095389752 569363457 /nfs/dbraw/zinc/36/34/57/569363457.db2.gz NMJKMEICGLTMQF-UHFFFAOYSA-N 1 1 437.975 4.536 50 0 IJAAMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000095954683 569376832 /nfs/dbraw/zinc/37/68/32/569376832.db2.gz HZHFQRYOWFJABM-IAGOWNOFSA-N 1 1 433.321 4.737 50 0 IJAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000027991056 569405549 /nfs/dbraw/zinc/40/55/49/569405549.db2.gz ZQUBYJZIJXHRPD-UHFFFAOYSA-N 1 1 435.593 4.850 50 0 IJAAMO Cc1ccnc2ccc(C(=O)N3CCC([N@H+]4CCC[C@H]4COCc4ccccc4)CC3)cc12 ZINC000225630985 569406225 /nfs/dbraw/zinc/40/62/25/569406225.db2.gz ZTSKGTPSAGTRRH-VWLOTQADSA-N 1 1 443.591 4.829 50 0 IJAAMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+]3C[C@H](C4CCCCC4)C[C@@H]23)cc(OC)c1OC ZINC000230040466 569418907 /nfs/dbraw/zinc/41/89/07/569418907.db2.gz DQQSJVFAXXWRKE-TYPHKJRUSA-N 1 1 431.573 4.550 50 0 biogenic IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000057312338 569430743 /nfs/dbraw/zinc/43/07/43/569430743.db2.gz LMIIORUVYPIMPI-INIZCTEOSA-N 1 1 437.927 4.890 50 0 IJAAMO Cc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546407 569463530 /nfs/dbraw/zinc/46/35/30/569463530.db2.gz VZPONVFOVFTIHD-FQEVSTJZSA-N 1 1 429.973 4.892 50 0 IJAAMO CCc1cc([C@@H](c2ccccc2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546444 569463536 /nfs/dbraw/zinc/46/35/36/569463536.db2.gz JFCNTEIAXPKQFU-JOCHJYFZSA-N 1 1 439.581 4.501 50 0 IJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008704182 569470309 /nfs/dbraw/zinc/47/03/09/569470309.db2.gz QSZKAJJYJIHVLR-IBGZPJMESA-N 1 1 449.532 4.505 50 0 IJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008704182 569470310 /nfs/dbraw/zinc/47/03/10/569470310.db2.gz QSZKAJJYJIHVLR-IBGZPJMESA-N 1 1 449.532 4.505 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]31)CC2 ZINC000008740011 569472781 /nfs/dbraw/zinc/47/27/81/569472781.db2.gz IORYFKSDHWTEFE-OSELFIHJSA-N 1 1 439.596 4.937 50 0 biogenic IJAAMO CC(=O)Nc1cccc([C@@H](C)[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051375 569484401 /nfs/dbraw/zinc/48/44/01/569484401.db2.gz ZLFBQBDCLZERTN-HXUWFJFHSA-N 1 1 440.547 4.725 50 0 IJAAMO CC(=O)Nc1cccc([C@@H](C)[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051375 569484402 /nfs/dbraw/zinc/48/44/02/569484402.db2.gz ZLFBQBDCLZERTN-HXUWFJFHSA-N 1 1 440.547 4.725 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CCCCC1 ZINC000040051508 569484486 /nfs/dbraw/zinc/48/44/86/569484486.db2.gz BZTXSSKNYSMCSH-DEOSSOPVSA-N 1 1 435.568 4.821 50 0 IJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300570 569520621 /nfs/dbraw/zinc/52/06/21/569520621.db2.gz JQXITLAJDKAKPG-SFHVURJKSA-N 1 1 433.455 4.869 50 0 IJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300570 569520622 /nfs/dbraw/zinc/52/06/22/569520622.db2.gz JQXITLAJDKAKPG-SFHVURJKSA-N 1 1 433.455 4.869 50 0 IJAAMO C[NH+]1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)CC1 ZINC000009589346 569549946 /nfs/dbraw/zinc/54/99/46/569549946.db2.gz AWELQMPUXNAVQO-UHFFFAOYSA-N 1 1 444.485 4.630 50 0 IJAAMO COc1ccc([C@H](CNC(=O)c2sc(-c3cccs3)nc2C)[NH+]2CCCC2)cc1 ZINC000009951585 569574484 /nfs/dbraw/zinc/57/44/84/569574484.db2.gz GLEFMKNARKIYCY-SFHVURJKSA-N 1 1 427.595 4.756 50 0 IJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008133174 132280958 /nfs/dbraw/zinc/28/09/58/132280958.db2.gz BSKAJVRWTLRACS-OAQYLSRUSA-N 1 1 429.564 4.649 50 0 IJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008133174 132280963 /nfs/dbraw/zinc/28/09/63/132280963.db2.gz BSKAJVRWTLRACS-OAQYLSRUSA-N 1 1 429.564 4.649 50 0 IJAAMO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000013069374 132344049 /nfs/dbraw/zinc/34/40/49/132344049.db2.gz ZXJILLBLYLEDEU-QGZVFWFLSA-N 1 1 444.000 4.913 50 0 IJAAMO CC(C)[N@@H+](CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1)Cc1ccccc1 ZINC000020933644 519643692 /nfs/dbraw/zinc/64/36/92/519643692.db2.gz BGKZYJFWCQDWNE-UHFFFAOYSA-N 1 1 441.579 4.694 50 0 IJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cc1 ZINC000012755493 519716496 /nfs/dbraw/zinc/71/64/96/519716496.db2.gz MSYSIEYCEDPSQX-LJQANCHMSA-N 1 1 427.976 4.607 50 0 IJAAMO CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000021364735 520564170 /nfs/dbraw/zinc/56/41/70/520564170.db2.gz YERBIONOJVCNKN-UHFFFAOYSA-N 1 1 441.575 4.979 50 0 IJAAMO CCN(Cc1cc(OC)c(OC)cc1OC)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012591115 521293663 /nfs/dbraw/zinc/29/36/63/521293663.db2.gz MCQFCJVKCCYRFG-OAQYLSRUSA-N 1 1 444.591 4.628 50 0 IJAAMO CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012591115 521293670 /nfs/dbraw/zinc/29/36/70/521293670.db2.gz MCQFCJVKCCYRFG-OAQYLSRUSA-N 1 1 444.591 4.628 50 0 IJAAMO CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012591115 521293676 /nfs/dbraw/zinc/29/36/76/521293676.db2.gz MCQFCJVKCCYRFG-OAQYLSRUSA-N 1 1 444.591 4.628 50 0 IJAAMO COC[C@H]1CCC[N@H+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)C1 ZINC000012190597 522828584 /nfs/dbraw/zinc/82/85/84/522828584.db2.gz DPIYIJNNVZNFTE-QFIPXVFZSA-N 1 1 435.612 4.883 50 0 IJAAMO COCc1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012313909 522920513 /nfs/dbraw/zinc/92/05/13/522920513.db2.gz QHWGZXRMEGYFMD-IBGZPJMESA-N 1 1 445.003 4.804 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccccc1C)CC2 ZINC000036041052 523045260 /nfs/dbraw/zinc/04/52/60/523045260.db2.gz NUXWEYVGKJKKBU-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041052 523045265 /nfs/dbraw/zinc/04/52/65/523045265.db2.gz NUXWEYVGKJKKBU-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012307198 523182316 /nfs/dbraw/zinc/18/23/16/523182316.db2.gz FDNPSDRURSERLJ-SFHVURJKSA-N 1 1 436.531 4.855 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2c(C)n[nH]c2C)cc1F ZINC000012596535 523244457 /nfs/dbraw/zinc/24/44/57/523244457.db2.gz LXAODMGGBSWQAE-UHFFFAOYSA-N 1 1 433.531 4.967 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2c(C)n[nH]c2C)cc1F ZINC000012596535 523244461 /nfs/dbraw/zinc/24/44/61/523244461.db2.gz LXAODMGGBSWQAE-UHFFFAOYSA-N 1 1 433.531 4.967 50 0 IJAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000012709242 523628543 /nfs/dbraw/zinc/62/85/43/523628543.db2.gz XMXMGQOQOLWYDE-UHFFFAOYSA-N 1 1 446.950 4.767 50 0 IJAAMO COCCN(Cc1cccc2cccnc21)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012719115 523753791 /nfs/dbraw/zinc/75/37/91/523753791.db2.gz MPXAWGIETKTTSX-QFIPXVFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COCCN(Cc1cccc2cccnc21)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012719115 523753797 /nfs/dbraw/zinc/75/37/97/523753797.db2.gz MPXAWGIETKTTSX-QFIPXVFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020988570 523977097 /nfs/dbraw/zinc/97/70/97/523977097.db2.gz YOTWSBOMHJGUKF-HSZRJFAPSA-N 1 1 433.483 4.815 50 0 IJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)C1 ZINC000020728739 524087829 /nfs/dbraw/zinc/08/78/29/524087829.db2.gz GYVRYZRDIMBCQS-RPNTZMPASA-N 1 1 435.593 4.624 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000012306713 524222273 /nfs/dbraw/zinc/22/22/73/524222273.db2.gz SBIIGCVFUJFTQE-KRWDZBQOSA-N 1 1 440.975 4.866 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000012306713 524222282 /nfs/dbraw/zinc/22/22/82/524222282.db2.gz SBIIGCVFUJFTQE-KRWDZBQOSA-N 1 1 440.975 4.866 50 0 IJAAMO C[C@H](C[N@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600793 524300428 /nfs/dbraw/zinc/30/04/28/524300428.db2.gz LNSLGMLKPKSAQM-QGZVFWFLSA-N 1 1 431.005 4.631 50 0 IJAAMO C[C@H](C[N@@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600793 524300434 /nfs/dbraw/zinc/30/04/34/524300434.db2.gz LNSLGMLKPKSAQM-QGZVFWFLSA-N 1 1 431.005 4.631 50 0 IJAAMO Cc1cc(C)n(CCC[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1 ZINC000012447886 524518454 /nfs/dbraw/zinc/51/84/54/524518454.db2.gz PHFDLQQYGAIFDY-XMMPIXPASA-N 1 1 433.556 4.571 50 0 IJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762136 525242465 /nfs/dbraw/zinc/24/24/65/525242465.db2.gz DFRYKEXPDOPMOQ-FQEVSTJZSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762136 525242471 /nfs/dbraw/zinc/24/24/71/525242471.db2.gz DFRYKEXPDOPMOQ-FQEVSTJZSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914633 525242837 /nfs/dbraw/zinc/24/28/37/525242837.db2.gz PAUAXZYLYGVPJC-FQEVSTJZSA-N 1 1 432.948 4.922 50 0 IJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914633 525242843 /nfs/dbraw/zinc/24/28/43/525242843.db2.gz PAUAXZYLYGVPJC-FQEVSTJZSA-N 1 1 432.948 4.922 50 0 IJAAMO Cc1ccccc1NCc1cccn1-c1nnc(N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000021880751 525272177 /nfs/dbraw/zinc/27/21/77/525272177.db2.gz SVXSPAOEBIQTIY-UHFFFAOYSA-N 1 1 444.608 4.572 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021795300 525322482 /nfs/dbraw/zinc/32/24/82/525322482.db2.gz HSLHFZMKLISNGE-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000021659850 525958279 /nfs/dbraw/zinc/95/82/79/525958279.db2.gz NLIMAYZKFIDJJP-SFHVURJKSA-N 1 1 428.916 4.551 50 0 IJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022791553 526161284 /nfs/dbraw/zinc/16/12/84/526161284.db2.gz HASKTEGSQSIDSF-LJQANCHMSA-N 1 1 437.971 4.517 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000012715060 526728307 /nfs/dbraw/zinc/72/83/07/526728307.db2.gz NIWIBCLDRHIBOI-INIZCTEOSA-N 1 1 428.920 4.673 50 0 IJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035375723 526814913 /nfs/dbraw/zinc/81/49/13/526814913.db2.gz WAAAXVMBZZKAGF-OHTANWTRSA-N 1 1 443.934 4.643 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N(C)Cc3nccn3C(F)F)c2c1C ZINC000012535014 526890427 /nfs/dbraw/zinc/89/04/27/526890427.db2.gz GNAGZWPYOAQDEM-UHFFFAOYSA-N 1 1 434.560 4.768 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907726 526953324 /nfs/dbraw/zinc/95/33/24/526953324.db2.gz CCYWPDDAZZUVPY-OAQYLSRUSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907726 526953332 /nfs/dbraw/zinc/95/33/32/526953332.db2.gz CCYWPDDAZZUVPY-OAQYLSRUSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012155834 526993290 /nfs/dbraw/zinc/99/32/90/526993290.db2.gz QAJNOFXCFWDKRA-UTKZUKDTSA-N 1 1 438.440 4.997 50 0 IJAAMO O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532108 527155314 /nfs/dbraw/zinc/15/53/14/527155314.db2.gz LPDQPOFVQAIKPP-KRWDZBQOSA-N 1 1 428.374 4.751 50 0 IJAAMO O=C(Nc1cccc(Br)c1)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000020532093 527323580 /nfs/dbraw/zinc/32/35/80/527323580.db2.gz ZCGPXACVJZHUBM-UHFFFAOYSA-N 1 1 428.374 4.751 50 0 IJAAMO OCCn1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc21 ZINC000012549679 527575933 /nfs/dbraw/zinc/57/59/33/527575933.db2.gz LYCZRLHZHQLHOM-OAHLLOKOSA-N 1 1 426.973 4.671 50 0 IJAAMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012771391 527660007 /nfs/dbraw/zinc/66/00/07/527660007.db2.gz ICEBFHLIAHJSLW-CRAIPNDOSA-N 1 1 433.371 4.636 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002287977 555765628 /nfs/dbraw/zinc/76/56/28/555765628.db2.gz SQNXUTNQYVHCST-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683913 555819458 /nfs/dbraw/zinc/81/94/58/555819458.db2.gz BEZYZDGFCFWPFR-UHFFFAOYSA-N 1 1 428.529 4.587 50 0 IJAAMO FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000013686486 556276654 /nfs/dbraw/zinc/27/66/54/556276654.db2.gz UHPHHCWTLGAMAT-OAHLLOKOSA-N 1 1 435.943 4.632 50 0 IJAAMO CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000032740432 556300576 /nfs/dbraw/zinc/30/05/76/556300576.db2.gz MXFYRTYEFIAORU-UHFFFAOYSA-N 1 1 440.576 4.984 50 0 IJAAMO CC(C)C[N@@H+](C)[C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000011784453 556352518 /nfs/dbraw/zinc/35/25/18/556352518.db2.gz ODEMHBHTPCWQAL-QGZVFWFLSA-N 1 1 449.542 4.970 50 0 IJAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014093088 556365717 /nfs/dbraw/zinc/36/57/17/556365717.db2.gz FMHTYHLSMDWYJC-RUZDIDTESA-N 1 1 436.559 4.603 50 0 IJAAMO COCc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000011874932 556370978 /nfs/dbraw/zinc/37/09/78/556370978.db2.gz CGCMNRFEQMRLST-OAQYLSRUSA-N 1 1 425.573 4.508 50 0 IJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000011997345 556384577 /nfs/dbraw/zinc/38/45/77/556384577.db2.gz KEXNVNQQZXSKBT-GOSISDBHSA-N 1 1 430.593 4.822 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027921 556388256 /nfs/dbraw/zinc/38/82/56/556388256.db2.gz HVGBFOYCLJXOKX-KRWDZBQOSA-N 1 1 448.966 4.805 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027921 556388257 /nfs/dbraw/zinc/38/82/57/556388257.db2.gz HVGBFOYCLJXOKX-KRWDZBQOSA-N 1 1 448.966 4.805 50 0 IJAAMO Cc1cc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028288927 556448509 /nfs/dbraw/zinc/44/85/09/556448509.db2.gz JIABOKAOAXHMKK-QGZVFWFLSA-N 1 1 430.957 4.773 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)c(OC)c1 ZINC000014953201 556461256 /nfs/dbraw/zinc/46/12/56/556461256.db2.gz HGLSOFARWCVSKR-IBGZPJMESA-N 1 1 442.625 4.734 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c(C)c1 ZINC000014966330 556465723 /nfs/dbraw/zinc/46/57/23/556465723.db2.gz AKTQOZMXYXOHDQ-LJQANCHMSA-N 1 1 438.597 4.882 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000014978896 556469876 /nfs/dbraw/zinc/46/98/76/556469876.db2.gz QVOYDBZITHGKCH-GOSISDBHSA-N 1 1 430.976 4.666 50 0 IJAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000014996842 556478261 /nfs/dbraw/zinc/47/82/61/556478261.db2.gz RKQDYHKGJJSOCU-XMMPIXPASA-N 1 1 449.639 4.954 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCC(=O)c1ccccc1 ZINC000015067812 556493903 /nfs/dbraw/zinc/49/39/03/556493903.db2.gz LAIOMRGOACKRCH-OAQYLSRUSA-N 1 1 426.988 4.716 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1 ZINC000015071862 556496772 /nfs/dbraw/zinc/49/67/72/556496772.db2.gz VZRTTXLLMQBWSE-FQEVSTJZSA-N 1 1 438.597 4.504 50 0 IJAAMO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000032891548 556519224 /nfs/dbraw/zinc/51/92/24/556519224.db2.gz WSTNJHIGSOSNMO-HNNXBMFYSA-N 1 1 433.895 4.619 50 0 IJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000015319691 556519922 /nfs/dbraw/zinc/51/99/22/556519922.db2.gz WNSAZITZPZMZJI-PXNSSMCTSA-N 1 1 440.494 4.755 50 0 IJAAMO Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CC[NH+]4CCCCC4)c3=O)c21 ZINC000013655426 556546058 /nfs/dbraw/zinc/54/60/58/556546058.db2.gz DLGOIHYNJBJRDX-UHFFFAOYSA-N 1 1 439.972 4.516 50 0 IJAAMO COc1ccc(CCC(=O)N2CC[NH+]([C@H](C)c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC000072304873 556549672 /nfs/dbraw/zinc/54/96/72/556549672.db2.gz CLSKDMGMMMSZGR-HXUWFJFHSA-N 1 1 432.564 4.695 50 0 IJAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308200 556564549 /nfs/dbraw/zinc/56/45/49/556564549.db2.gz QFHDBCCERPLQLG-RDJZCZTQSA-N 1 1 425.920 4.505 50 0 IJAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308200 556564552 /nfs/dbraw/zinc/56/45/52/556564552.db2.gz QFHDBCCERPLQLG-RDJZCZTQSA-N 1 1 425.920 4.505 50 0 IJAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)CCC3)cc1 ZINC000016192726 556588709 /nfs/dbraw/zinc/58/87/09/556588709.db2.gz UQLOODUWBYYEGV-UHFFFAOYSA-N 1 1 441.597 4.702 50 0 IJAAMO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)[C@@H]2CCC[N@H+](C)C2)C4)s1 ZINC000039442481 556628771 /nfs/dbraw/zinc/62/87/71/556628771.db2.gz IRTIBLFLQOHNHL-WOJBJXKFSA-N 1 1 448.588 4.532 50 0 IJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019229555 556718115 /nfs/dbraw/zinc/71/81/15/556718115.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019229555 556718119 /nfs/dbraw/zinc/71/81/19/556718119.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000019229555 556718122 /nfs/dbraw/zinc/71/81/22/556718122.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000019229555 556718125 /nfs/dbraw/zinc/71/81/25/556718125.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 1 1 432.612 4.658 50 0 IJAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000055283216 556739867 /nfs/dbraw/zinc/73/98/67/556739867.db2.gz XPFCRCBEOHKODI-UHFFFAOYSA-N 1 1 432.490 4.857 50 0 IJAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000055283216 556739870 /nfs/dbraw/zinc/73/98/70/556739870.db2.gz XPFCRCBEOHKODI-UHFFFAOYSA-N 1 1 432.490 4.857 50 0 IJAAMO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000055554161 556742212 /nfs/dbraw/zinc/74/22/12/556742212.db2.gz GYWGECROPBIUIS-UHFFFAOYSA-N 1 1 442.604 4.541 50 0 IJAAMO Cc1ccc(-n2ncc(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2C(F)(F)F)cc1 ZINC000058971273 556793342 /nfs/dbraw/zinc/79/33/42/556793342.db2.gz JVLCOLYSNOGJTC-HDICACEKSA-N 1 1 436.522 4.687 50 0 IJAAMO CCCCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000019732824 556876952 /nfs/dbraw/zinc/87/69/52/556876952.db2.gz HLRPVKSUOVKBDZ-UHFFFAOYSA-N 1 1 439.991 4.729 50 0 IJAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000019841554 556929721 /nfs/dbraw/zinc/92/97/21/556929721.db2.gz KCRRQTPQRQKVGW-IBGZPJMESA-N 1 1 433.518 4.794 50 0 IJAAMO COc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019842708 556929903 /nfs/dbraw/zinc/92/99/03/556929903.db2.gz FQIOWRIQSBSOED-UHFFFAOYSA-N 1 1 432.589 4.787 50 0 IJAAMO CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347270 557009084 /nfs/dbraw/zinc/00/90/84/557009084.db2.gz JHRMCZGIQUVNPJ-UHFFFAOYSA-N 1 1 427.548 4.583 50 0 IJAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3nc(-c4ccccc4)no3)cc2)C1 ZINC000048300068 557062018 /nfs/dbraw/zinc/06/20/18/557062018.db2.gz XHHLRVGIBXPROM-FQEVSTJZSA-N 1 1 432.568 4.608 50 0 IJAAMO O=C(CCc1nc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024762190 557164643 /nfs/dbraw/zinc/16/46/43/557164643.db2.gz REBRWWCYJQBRGI-UHFFFAOYSA-N 1 1 425.532 4.694 50 0 IJAAMO Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000012843158 557262389 /nfs/dbraw/zinc/26/23/89/557262389.db2.gz LOXSDZDZMSKXAE-UHFFFAOYSA-N 1 1 447.554 4.782 50 0 IJAAMO Cc1cc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)n(C(C)(C)C)n1 ZINC000023330450 557340874 /nfs/dbraw/zinc/34/08/74/557340874.db2.gz GOPADPVDKZGBFA-RUZDIDTESA-N 1 1 430.596 4.802 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(C)C ZINC000004872406 557399960 /nfs/dbraw/zinc/39/99/60/557399960.db2.gz MVXCVAOMEGKFNY-BWWMBTDCSA-N 1 1 435.697 4.751 50 0 IJAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)cc1 ZINC000044838600 557538898 /nfs/dbraw/zinc/53/88/98/557538898.db2.gz VAKDFWKWINSTPL-UHFFFAOYSA-N 1 1 436.559 4.933 50 0 IJAAMO O=C(Nc1ccc(Br)cc1F)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000008619114 562959816 /nfs/dbraw/zinc/95/98/16/562959816.db2.gz HXPLMQLUKQFRAG-UHFFFAOYSA-N 1 1 446.364 4.890 50 0 IJAAMO COc1ccc2nc3sc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)cc3cc2c1 ZINC000008682883 562961797 /nfs/dbraw/zinc/96/17/97/562961797.db2.gz WGDNMYPCNLGSGB-UHFFFAOYSA-N 1 1 431.561 4.636 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983019 568623925 /nfs/dbraw/zinc/62/39/25/568623925.db2.gz JGCGLNCYQQGSIF-FCHUYYIVSA-N 1 1 448.966 4.650 50 0 IJAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cc(NC(C)=O)ccc2OC)c1 ZINC000084744390 568800895 /nfs/dbraw/zinc/80/08/95/568800895.db2.gz IWAVVDCQFPZMMI-UHFFFAOYSA-N 1 1 426.561 4.597 50 0 IJAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000015671346 568802917 /nfs/dbraw/zinc/80/29/17/568802917.db2.gz RMAMZDYGDZOBED-UHFFFAOYSA-N 1 1 437.569 4.628 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649925 568831317 /nfs/dbraw/zinc/83/13/17/568831317.db2.gz IFKPJZQBMJBLFZ-HXUWFJFHSA-N 1 1 429.568 4.882 50 0 IJAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC3CC3)co2)c1 ZINC000036064025 568944866 /nfs/dbraw/zinc/94/48/66/568944866.db2.gz SNJADXXZHJKDKD-UHFFFAOYSA-N 1 1 442.563 4.849 50 0 IJAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC3CC3)co2)c1 ZINC000036064025 568944870 /nfs/dbraw/zinc/94/48/70/568944870.db2.gz SNJADXXZHJKDKD-UHFFFAOYSA-N 1 1 442.563 4.849 50 0 IJAAMO CCCC[NH+]1CCN(C(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)CC1 ZINC000064759539 568952135 /nfs/dbraw/zinc/95/21/35/568952135.db2.gz FDFWEVGQMNQDLC-UHFFFAOYSA-N 1 1 425.602 4.607 50 0 IJAAMO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801564 568961450 /nfs/dbraw/zinc/96/14/50/568961450.db2.gz CEVJTSSGBSLNNV-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064802084 568961803 /nfs/dbraw/zinc/96/18/03/568961803.db2.gz MTTPGNKMVGTSIN-UHFFFAOYSA-N 1 1 437.569 4.546 50 0 IJAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc(C)[nH+]1 ZINC000064802063 568961836 /nfs/dbraw/zinc/96/18/36/568961836.db2.gz MHVPTYKBEYHSSW-UHFFFAOYSA-N 1 1 425.558 4.686 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146260 568962101 /nfs/dbraw/zinc/96/21/01/568962101.db2.gz KKUCECPWFGEDIC-PMACEKPBSA-N 1 1 448.966 4.650 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304839 568994784 /nfs/dbraw/zinc/99/47/84/568994784.db2.gz FQYQMKPIRVBBMK-HSZRJFAPSA-N 1 1 435.568 4.643 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304839 568994786 /nfs/dbraw/zinc/99/47/86/568994786.db2.gz FQYQMKPIRVBBMK-HSZRJFAPSA-N 1 1 435.568 4.643 50 0 IJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)C(C)C ZINC000036306307 568995600 /nfs/dbraw/zinc/99/56/00/568995600.db2.gz DOXDKHSIABABJF-DEOSSOPVSA-N 1 1 437.584 4.653 50 0 IJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968164 569076080 /nfs/dbraw/zinc/07/60/80/569076080.db2.gz TXSDRFKNPJARAI-UHFFFAOYSA-N 1 1 439.559 4.791 50 0 IJAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345183 569080692 /nfs/dbraw/zinc/08/06/92/569080692.db2.gz YBJRLEILFILBRT-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345183 569080693 /nfs/dbraw/zinc/08/06/93/569080693.db2.gz YBJRLEILFILBRT-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000036393756 569098518 /nfs/dbraw/zinc/09/85/18/569098518.db2.gz YAJBWTDBXLOXGX-IEBWSBKVSA-N 1 1 426.582 4.758 50 0 IJAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000036393756 569098519 /nfs/dbraw/zinc/09/85/19/569098519.db2.gz YAJBWTDBXLOXGX-IEBWSBKVSA-N 1 1 426.582 4.758 50 0 IJAAMO CC(C)c1ccc(C[N@H+](C)[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139204 569311697 /nfs/dbraw/zinc/31/16/97/569311697.db2.gz DOAOTUSMQUGLHO-IZZNHLLZSA-N 1 1 434.605 4.886 50 0 IJAAMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139204 569311699 /nfs/dbraw/zinc/31/16/99/569311699.db2.gz DOAOTUSMQUGLHO-IZZNHLLZSA-N 1 1 434.605 4.886 50 0 IJAAMO CCCCc1cc2c(cc1OC(=O)[C@H]([NH3+])[C@@H](C)CC)occ(-c1csc(C)n1)c2=O ZINC000019702899 569327308 /nfs/dbraw/zinc/32/73/08/569327308.db2.gz RRRLTDPGJYSFPY-YEJXKQKISA-N 1 1 428.554 4.846 50 0 biogenic IJAAMO O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192074 569328134 /nfs/dbraw/zinc/32/81/34/569328134.db2.gz BTEVPHKFFANUBG-AZGAKELHSA-N 1 1 445.607 4.991 50 0 biogenic IJAAMO COc1ccc(C(=O)CC[NH+]2CCN(c3ccccc3SC(C)C)CC2)cc1OC ZINC000096026820 569380741 /nfs/dbraw/zinc/38/07/41/569380741.db2.gz LEAZFUVCEFHFMU-UHFFFAOYSA-N 1 1 428.598 4.599 50 0 IJAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000030015566 569440304 /nfs/dbraw/zinc/44/03/04/569440304.db2.gz VWRPMJPEWSWFEN-UHFFFAOYSA-N 1 1 446.513 4.666 50 0 IJAAMO CCOc1c(Br)cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000057653136 569440692 /nfs/dbraw/zinc/44/06/92/569440692.db2.gz PNXXNFYALHUZQS-UHFFFAOYSA-N 1 1 433.390 4.611 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000003339113 569446775 /nfs/dbraw/zinc/44/67/75/569446775.db2.gz WAYVOSPPDLKRNU-UHFFFAOYSA-N 1 1 426.513 4.801 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000003339113 569446776 /nfs/dbraw/zinc/44/67/76/569446776.db2.gz WAYVOSPPDLKRNU-UHFFFAOYSA-N 1 1 426.513 4.801 50 0 IJAAMO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000038546781 569463682 /nfs/dbraw/zinc/46/36/82/569463682.db2.gz NNFDRFSDWBJLMZ-NRFANRHFSA-N 1 1 440.638 4.801 50 0 IJAAMO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[N@@H+]4CCCC[C@@H]4C)ccc3c2=O)c1 ZINC000008763874 569474529 /nfs/dbraw/zinc/47/45/29/569474529.db2.gz WGWDTMBBGUPPEA-PMACEKPBSA-N 1 1 437.536 4.816 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C1CCCCC1 ZINC000040051509 569484509 /nfs/dbraw/zinc/48/45/09/569484509.db2.gz BZTXSSKNYSMCSH-XMMPIXPASA-N 1 1 435.568 4.821 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009291373 569519828 /nfs/dbraw/zinc/51/98/28/569519828.db2.gz LFLPEGFPVWIPBS-XZOQPEGZSA-N 1 1 427.895 4.848 50 0 IJAAMO OCCn1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2ccc(Cl)cc21 ZINC000009466428 569538220 /nfs/dbraw/zinc/53/82/20/569538220.db2.gz JNVMAQVHMYJVND-UHFFFAOYSA-N 1 1 426.973 4.671 50 0 IJAAMO COc1ccccc1Nc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC000009680926 569560207 /nfs/dbraw/zinc/56/02/07/569560207.db2.gz NOHCOVZLYNIDRK-LJQANCHMSA-N 1 1 432.568 4.839 50 0 IJAAMO CCCCc1nc2sc3c(nc(SC)nc3N3CC[NH+](CC)CC3)c2c2c1CCC2 ZINC000002405256 132254008 /nfs/dbraw/zinc/25/40/08/132254008.db2.gz ROXVGVGLXRDAFP-UHFFFAOYSA-N 1 1 441.670 4.935 50 0 IJAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 ZINC000008832647 132295454 /nfs/dbraw/zinc/29/54/54/132295454.db2.gz UDGVIGSJEHPTCR-UHFFFAOYSA-N 1 1 443.172 4.760 50 0 IJAAMO COc1cccc(Cl)c1NC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000013465133 132347007 /nfs/dbraw/zinc/34/70/07/132347007.db2.gz OZJDADWGDWBXOM-UHFFFAOYSA-N 1 1 431.323 4.904 50 0 IJAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035925692 521541472 /nfs/dbraw/zinc/54/14/72/521541472.db2.gz GXIHDSCMWUIXKB-UHFFFAOYSA-N 1 1 440.595 4.789 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)cc(OC)c1 ZINC000012586632 522653509 /nfs/dbraw/zinc/65/35/09/522653509.db2.gz YRJXMKTYJSEOJZ-KRWDZBQOSA-N 1 1 431.602 4.915 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)cc(OC)c1 ZINC000012586632 522653520 /nfs/dbraw/zinc/65/35/20/522653520.db2.gz YRJXMKTYJSEOJZ-KRWDZBQOSA-N 1 1 431.602 4.915 50 0 IJAAMO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012767327 522678940 /nfs/dbraw/zinc/67/89/40/522678940.db2.gz VRUHXJLVNBWSMH-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012767327 522678952 /nfs/dbraw/zinc/67/89/52/522678952.db2.gz VRUHXJLVNBWSMH-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO C[N@@H+](C[C@@H]1CCCCO1)C1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000012162052 523035278 /nfs/dbraw/zinc/03/52/78/523035278.db2.gz BYBHGMPBFUYVLJ-SANMLTNESA-N 1 1 435.612 4.728 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccccc1)CC2 ZINC000036041032 523038505 /nfs/dbraw/zinc/03/85/05/523038505.db2.gz XLKUVTVMLVRTAF-XMMPIXPASA-N 1 1 430.548 4.542 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccccc1)CC2 ZINC000036041032 523038512 /nfs/dbraw/zinc/03/85/12/523038512.db2.gz XLKUVTVMLVRTAF-XMMPIXPASA-N 1 1 430.548 4.542 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]13)CC2 ZINC000012653629 523045145 /nfs/dbraw/zinc/04/51/45/523045145.db2.gz IORYFKSDHWTEFE-YQWWFSPMSA-N 1 1 439.596 4.937 50 0 biogenic IJAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000021805318 523096619 /nfs/dbraw/zinc/09/66/19/523096619.db2.gz JJSZICSPFQXMJT-NRFANRHFSA-N 1 1 425.916 4.571 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012585938 523118131 /nfs/dbraw/zinc/11/81/31/523118131.db2.gz XWWGVVJPCNDDOV-QGZVFWFLSA-N 1 1 439.909 4.781 50 0 IJAAMO COc1ccc(C[NH2+][C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1OC ZINC000012795578 524083608 /nfs/dbraw/zinc/08/36/08/524083608.db2.gz RSKZMIHIBXQZJU-LBPRGKRZSA-N 1 1 427.551 4.581 50 0 IJAAMO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000012711347 524617674 /nfs/dbraw/zinc/61/76/74/524617674.db2.gz YLIVGVRHTQQHBN-UHFFFAOYSA-N 1 1 441.482 4.651 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)cc2)cc1 ZINC000012679259 524635384 /nfs/dbraw/zinc/63/53/84/524635384.db2.gz BUSOANDQJAYCMH-OAQYLSRUSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccs3)cc2)cc1 ZINC000012679259 524635395 /nfs/dbraw/zinc/63/53/95/524635395.db2.gz BUSOANDQJAYCMH-OAQYLSRUSA-N 1 1 435.549 4.785 50 0 IJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)cc1C ZINC000034668124 524963005 /nfs/dbraw/zinc/96/30/05/524963005.db2.gz UOZPXOVDRHXTTQ-UHFFFAOYSA-N 1 1 431.555 4.695 50 0 IJAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022917869 525211634 /nfs/dbraw/zinc/21/16/34/525211634.db2.gz HSMGNJFIAORGRB-DEOSSOPVSA-N 1 1 449.620 4.963 50 0 IJAAMO COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000012819695 525358898 /nfs/dbraw/zinc/35/88/98/525358898.db2.gz LJNVGWXXZMZXDQ-QFIPXVFZSA-N 1 1 434.561 4.555 50 0 IJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2cccs2)cc1 ZINC000057289792 525772533 /nfs/dbraw/zinc/77/25/33/525772533.db2.gz PPMHBSOESOCOKT-JOCHJYFZSA-N 1 1 437.956 4.608 50 0 IJAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000018217252 526657227 /nfs/dbraw/zinc/65/72/27/526657227.db2.gz ASBALSJMOGABQI-UHFFFAOYSA-N 1 1 444.453 4.728 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000012306890 526728884 /nfs/dbraw/zinc/72/88/84/526728884.db2.gz QUMCYRTVLKHVKL-UHFFFAOYSA-N 1 1 441.915 4.608 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012463311 526729043 /nfs/dbraw/zinc/72/90/43/526729043.db2.gz TUXBRJFLDOGGRA-UHFFFAOYSA-N 1 1 436.899 4.850 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012463311 526729047 /nfs/dbraw/zinc/72/90/47/526729047.db2.gz TUXBRJFLDOGGRA-UHFFFAOYSA-N 1 1 436.899 4.850 50 0 IJAAMO O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000012154806 526763412 /nfs/dbraw/zinc/76/34/12/526763412.db2.gz MSNKROXWCMSUHR-YZMCIJTKSA-N 1 1 440.591 4.571 50 0 IJAAMO O=C(c1ccccc1OC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1)N1CCCCC1 ZINC000020449830 526810915 /nfs/dbraw/zinc/81/09/15/526810915.db2.gz HMFCTEYGZJCDQZ-UHFFFAOYSA-N 1 1 439.625 4.691 50 0 IJAAMO O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871480 527396650 /nfs/dbraw/zinc/39/66/50/527396650.db2.gz UYUPUGYPQAVOMK-FYYLOGMGSA-N 1 1 443.513 4.950 50 0 IJAAMO Cc1ccc2nc(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)sc2c1 ZINC000009071838 555507782 /nfs/dbraw/zinc/50/77/82/555507782.db2.gz SRNAJYVCYXEJPW-UHFFFAOYSA-N 1 1 436.581 4.511 50 0 IJAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699009 555812809 /nfs/dbraw/zinc/81/28/09/555812809.db2.gz JJWJJJGCPSDGGV-ZEQKJWHPSA-N 1 1 433.571 4.931 50 0 IJAAMO CCc1ccc([C@H]2CC[C@H](C(=O)NCCc3ccccn3)C[N@H+]2Cc2ccccc2)cc1 ZINC000034711311 555824498 /nfs/dbraw/zinc/82/44/98/555824498.db2.gz WWLZOMDILIOIIC-AHKZPQOWSA-N 1 1 427.592 4.956 50 0 IJAAMO O=C(c1ccc(OC2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc1)N1CCCC1 ZINC000011762181 556349443 /nfs/dbraw/zinc/34/94/43/556349443.db2.gz NNXZMXQFNUDZSV-UHFFFAOYSA-N 1 1 430.495 4.567 50 0 IJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818253 556360503 /nfs/dbraw/zinc/36/05/03/556360503.db2.gz NJZLUDNURUEYRR-HNNXBMFYSA-N 1 1 430.961 4.616 50 0 IJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818253 556360505 /nfs/dbraw/zinc/36/05/05/556360505.db2.gz NJZLUDNURUEYRR-HNNXBMFYSA-N 1 1 430.961 4.616 50 0 IJAAMO Cc1cccc(C)c1OCc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)no1 ZINC000012000532 556385578 /nfs/dbraw/zinc/38/55/78/556385578.db2.gz DDGZTCXHHYHDLS-UHFFFAOYSA-N 1 1 445.563 4.533 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000012049914 556392126 /nfs/dbraw/zinc/39/21/26/556392126.db2.gz HDMJGXRXDJGOQM-KRWDZBQOSA-N 1 1 448.966 4.805 50 0 IJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622363 556409717 /nfs/dbraw/zinc/40/97/17/556409717.db2.gz PAGCNEHCUKVKBN-SFHVURJKSA-N 1 1 444.329 4.654 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000013031653 556442880 /nfs/dbraw/zinc/44/28/80/556442880.db2.gz LMHOEWQHTSSIFQ-FQEVSTJZSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000013031653 556442883 /nfs/dbraw/zinc/44/28/83/556442883.db2.gz LMHOEWQHTSSIFQ-FQEVSTJZSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000013031650 556442986 /nfs/dbraw/zinc/44/29/86/556442986.db2.gz LMHOEWQHTSSIFQ-HXUWFJFHSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000013031650 556442988 /nfs/dbraw/zinc/44/29/88/556442988.db2.gz LMHOEWQHTSSIFQ-HXUWFJFHSA-N 1 1 435.549 4.785 50 0 IJAAMO CCOc1ccc(C[N@H+](CC)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813585 556447996 /nfs/dbraw/zinc/44/79/96/556447996.db2.gz LIHCOASKSYCMDF-VWLOTQADSA-N 1 1 438.593 4.883 50 0 IJAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813585 556447998 /nfs/dbraw/zinc/44/79/98/556447998.db2.gz LIHCOASKSYCMDF-VWLOTQADSA-N 1 1 438.593 4.883 50 0 IJAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000014885332 556455172 /nfs/dbraw/zinc/45/51/72/556455172.db2.gz KZTGDIIYCQAUDW-QFIPXVFZSA-N 1 1 449.620 4.749 50 0 IJAAMO Cc1ccc(-n2cc(CN3CCC([N@H+]4CCC[C@H](O)C4)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000014976544 556468843 /nfs/dbraw/zinc/46/88/43/556468843.db2.gz FHZNOCAAHZAGNR-MHZLTWQESA-N 1 1 444.623 4.577 50 0 IJAAMO O=C1CC[C@@H]2C[N@@H+](C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000014988174 556473754 /nfs/dbraw/zinc/47/37/54/556473754.db2.gz KTLLEAWXIOKEMN-HGNPKBSJSA-N 1 1 438.955 4.508 50 0 IJAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)C2CC2)C3)s1 ZINC000014994088 556476916 /nfs/dbraw/zinc/47/69/16/556476916.db2.gz QHSDSWAOXVERJW-GOSISDBHSA-N 1 1 440.609 4.575 50 0 IJAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000014996846 556478295 /nfs/dbraw/zinc/47/82/95/556478295.db2.gz RKQDYHKGJJSOCU-DEOSSOPVSA-N 1 1 449.639 4.954 50 0 IJAAMO COc1ccc(CC[N@H+](C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1OC ZINC000015069741 556495045 /nfs/dbraw/zinc/49/50/45/556495045.db2.gz QSCBTUKSNLFZLN-UHFFFAOYSA-N 1 1 443.547 4.942 50 0 IJAAMO COc1ccc(CC[N@@H+](C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1OC ZINC000015069741 556495050 /nfs/dbraw/zinc/49/50/50/556495050.db2.gz QSCBTUKSNLFZLN-UHFFFAOYSA-N 1 1 443.547 4.942 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc(OC)c1 ZINC000015077471 556499558 /nfs/dbraw/zinc/49/95/58/556499558.db2.gz OQQZZTVBFIPUMC-KRWDZBQOSA-N 1 1 448.510 4.936 50 0 IJAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(CO)c3)C2)c1 ZINC000015080657 556501094 /nfs/dbraw/zinc/50/10/94/556501094.db2.gz IEGZOVGJSYYZCF-JOCHJYFZSA-N 1 1 425.569 4.848 50 0 IJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1 ZINC000032511586 556540474 /nfs/dbraw/zinc/54/04/74/556540474.db2.gz SJTUTRDGJYFSKZ-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146256 556594161 /nfs/dbraw/zinc/59/41/61/556594161.db2.gz RCQYMXALWDNTNU-SFTDATJTSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(=O)NCCCCCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 ZINC000039317733 556627822 /nfs/dbraw/zinc/62/78/22/556627822.db2.gz JTMNOZTYOUZRLK-UHFFFAOYSA-N 1 1 425.523 4.963 50 0 IJAAMO CC(=O)NCCCCCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 ZINC000039317733 556627825 /nfs/dbraw/zinc/62/78/25/556627825.db2.gz JTMNOZTYOUZRLK-UHFFFAOYSA-N 1 1 425.523 4.963 50 0 IJAAMO CC[NH+]1CCN(C(=O)c2cc(-c3cccc(C)c3)nc3ccc(Br)cc32)CC1 ZINC000017101983 556666258 /nfs/dbraw/zinc/66/62/58/556666258.db2.gz MMPUWQRCSKZSRX-UHFFFAOYSA-N 1 1 438.369 4.750 50 0 IJAAMO COCCN(Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055098954 556734371 /nfs/dbraw/zinc/73/43/71/556734371.db2.gz AJPDSHLCOANOTB-JOCHJYFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COCCN(Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055098954 556734372 /nfs/dbraw/zinc/73/43/72/556734372.db2.gz AJPDSHLCOANOTB-JOCHJYFZSA-N 1 1 429.608 4.563 50 0 IJAAMO Cc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055526911 556741493 /nfs/dbraw/zinc/74/14/93/556741493.db2.gz ZRSPJQYYKRGLBT-UHFFFAOYSA-N 1 1 449.982 4.988 50 0 IJAAMO Cc1nc2sc3c(c2c(N[C@@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)n1)CCC3 ZINC000058159906 556764159 /nfs/dbraw/zinc/76/41/59/556764159.db2.gz NZJGSZOHIMYGHH-NRFANRHFSA-N 1 1 435.641 4.668 50 0 IJAAMO Cc1nc2sc3c(c2c(N[C@@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)n1)CCC3 ZINC000058159906 556764161 /nfs/dbraw/zinc/76/41/61/556764161.db2.gz NZJGSZOHIMYGHH-NRFANRHFSA-N 1 1 435.641 4.668 50 0 IJAAMO Cc1ccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000002137239 556798992 /nfs/dbraw/zinc/79/89/92/556798992.db2.gz ZOLFVJQELZIKQS-ZHALLVOQSA-N 1 1 433.807 4.702 50 0 IJAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068925 556836480 /nfs/dbraw/zinc/83/64/80/556836480.db2.gz BKBBRTSSAHEOKX-UHFFFAOYSA-N 1 1 439.968 4.725 50 0 IJAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068925 556836482 /nfs/dbraw/zinc/83/64/82/556836482.db2.gz BKBBRTSSAHEOKX-UHFFFAOYSA-N 1 1 439.968 4.725 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(OC)c4ncccc34)c(C)o2)c(OC)c1 ZINC000067869143 556847599 /nfs/dbraw/zinc/84/75/99/556847599.db2.gz YJDAWQWBHIEMEQ-UHFFFAOYSA-N 1 1 433.508 4.856 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(OC)c4ncccc34)c(C)o2)c(OC)c1 ZINC000067869143 556847603 /nfs/dbraw/zinc/84/76/03/556847603.db2.gz YJDAWQWBHIEMEQ-UHFFFAOYSA-N 1 1 433.508 4.856 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCCCC1 ZINC000033069211 556850795 /nfs/dbraw/zinc/85/07/95/556850795.db2.gz YPGOGIUAGDGRFP-UHFFFAOYSA-N 1 1 442.991 4.784 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCCCC1 ZINC000033069211 556850799 /nfs/dbraw/zinc/85/07/99/556850799.db2.gz YPGOGIUAGDGRFP-UHFFFAOYSA-N 1 1 442.991 4.784 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106402 556858925 /nfs/dbraw/zinc/85/89/25/556858925.db2.gz LOKVFNGSUZKMDD-IBGZPJMESA-N 1 1 444.579 4.773 50 0 IJAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000019773618 556913474 /nfs/dbraw/zinc/91/34/74/556913474.db2.gz OTRBSIDYEYWZGG-HSZRJFAPSA-N 1 1 431.580 4.742 50 0 IJAAMO COc1cc2cc(C[N@H+]3CCC[C@H](CO)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072435477 556972439 /nfs/dbraw/zinc/97/24/39/556972439.db2.gz ATYPLAVBRDLMAH-INIZCTEOSA-N 1 1 426.944 4.777 50 0 IJAAMO O=C(c1noc2c1CCc1ccccc1-2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137761 556988797 /nfs/dbraw/zinc/98/87/97/556988797.db2.gz OGUFJAVITJDPMF-UHFFFAOYSA-N 1 1 449.554 4.988 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164687 556994590 /nfs/dbraw/zinc/99/45/90/556994590.db2.gz POPRSSXUIMKIPQ-YADHBBJMSA-N 1 1 446.954 4.807 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164687 556994593 /nfs/dbraw/zinc/99/45/93/556994593.db2.gz POPRSSXUIMKIPQ-YADHBBJMSA-N 1 1 446.954 4.807 50 0 IJAAMO COc1cccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000020192824 556996661 /nfs/dbraw/zinc/99/66/61/556996661.db2.gz IEPHPOYNOLLKGA-AREMUKBSSA-N 1 1 427.548 4.891 50 0 IJAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032464 557025097 /nfs/dbraw/zinc/02/50/97/557025097.db2.gz AHOYYDDBLZMYKC-UHFFFAOYSA-N 1 1 426.586 4.620 50 0 IJAAMO C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182695 557044181 /nfs/dbraw/zinc/04/41/81/557044181.db2.gz JMUYSAXUESGRJN-JPYJTQIMSA-N 1 1 438.572 4.961 50 0 IJAAMO O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033279009 557061098 /nfs/dbraw/zinc/06/10/98/557061098.db2.gz KHBPMPOCKHZTRU-UHFFFAOYSA-N 1 1 442.494 4.501 50 0 IJAAMO O=c1[nH]c(SCc2cccc(Br)c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033287241 557064197 /nfs/dbraw/zinc/06/41/97/557064197.db2.gz GFJHGYFHINTNFE-UHFFFAOYSA-N 1 1 442.382 4.795 50 0 IJAAMO O=c1[nH]c(SCc2cccc(Br)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033287241 557064200 /nfs/dbraw/zinc/06/42/00/557064200.db2.gz GFJHGYFHINTNFE-UHFFFAOYSA-N 1 1 442.382 4.795 50 0 IJAAMO COc1ccc(C[N@@H+]2CCc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000033287261 557064212 /nfs/dbraw/zinc/06/42/12/557064212.db2.gz PADGNEZIIFICEY-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO COc1ccc(C[N@H+]2CCc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000033287261 557064214 /nfs/dbraw/zinc/06/42/14/557064214.db2.gz PADGNEZIIFICEY-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000025329364 557204523 /nfs/dbraw/zinc/20/45/23/557204523.db2.gz LHRIVSFQXKAOOV-QHCPKHFHSA-N 1 1 436.983 4.629 50 0 IJAAMO Cc1cccc(N2CC[N@H+](C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)C[C@H]2C)c1 ZINC000102296982 557315833 /nfs/dbraw/zinc/31/58/33/557315833.db2.gz DSZYVPQRNAHHSZ-PZFKOMAXSA-N 1 1 444.619 4.981 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CCCC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000105836309 557511672 /nfs/dbraw/zinc/51/16/72/557511672.db2.gz BKNIKJMIFLJZRD-AFMDSPMNSA-N 1 1 436.596 4.807 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CCCC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000105836309 557511674 /nfs/dbraw/zinc/51/16/74/557511674.db2.gz BKNIKJMIFLJZRD-AFMDSPMNSA-N 1 1 436.596 4.807 50 0 IJAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922161 557533301 /nfs/dbraw/zinc/53/33/01/557533301.db2.gz QFHDBCCERPLQLG-WBVHZDCISA-N 1 1 425.920 4.505 50 0 IJAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922161 557533306 /nfs/dbraw/zinc/53/33/06/557533306.db2.gz QFHDBCCERPLQLG-WBVHZDCISA-N 1 1 425.920 4.505 50 0 IJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000045974158 557556348 /nfs/dbraw/zinc/55/63/48/557556348.db2.gz QYBSCBMFRYHKQG-UHFFFAOYSA-N 1 1 433.939 4.949 50 0 IJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](CCCn4nc(C)cc4C)C3)cc2)c1 ZINC000012030373 562980448 /nfs/dbraw/zinc/98/04/48/562980448.db2.gz GFFPMKFJDMVYCW-DEOSSOPVSA-N 1 1 446.595 4.916 50 0 IJAAMO C[C@@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288905 563024392 /nfs/dbraw/zinc/02/43/92/563024392.db2.gz OPSSRDBGRZEICH-UZUQRXQVSA-N 1 1 443.613 4.559 50 0 IJAAMO C[C@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288915 563024454 /nfs/dbraw/zinc/02/44/54/563024454.db2.gz OPSSRDBGRZEICH-SBUREZEXSA-N 1 1 443.613 4.559 50 0 IJAAMO O=C(Nc1cccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c1)C1CCC1 ZINC000236664594 568614763 /nfs/dbraw/zinc/61/47/63/568614763.db2.gz NNFGPVWRSBYRDB-UHFFFAOYSA-N 1 1 439.357 4.868 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983684 568623222 /nfs/dbraw/zinc/62/32/22/568623222.db2.gz MQIMXLXJMULQLV-NHCUHLMSSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982597 568623246 /nfs/dbraw/zinc/62/32/46/568623246.db2.gz MLEVLGRWPSSWIR-FCHUYYIVSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983021 568623899 /nfs/dbraw/zinc/62/38/99/568623899.db2.gz JGCGLNCYQQGSIF-FGZHOGPDSA-N 1 1 448.966 4.650 50 0 IJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026463794 568877836 /nfs/dbraw/zinc/87/78/36/568877836.db2.gz UJICZGDUDXNDFW-HNNXBMFYSA-N 1 1 425.882 4.504 50 0 IJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000248120182 568918860 /nfs/dbraw/zinc/91/88/60/568918860.db2.gz UWRQLAGOUKFNKV-NZJKTDFXSA-N 1 1 425.569 4.889 50 0 IJAAMO O=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000001906785 568919545 /nfs/dbraw/zinc/91/95/45/568919545.db2.gz MHPBZXVTAQSVTE-UHFFFAOYSA-N 1 1 429.851 4.727 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801332 568961066 /nfs/dbraw/zinc/96/10/66/568961066.db2.gz OYJNGCPXOLAFNA-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146025 568962154 /nfs/dbraw/zinc/96/21/54/568962154.db2.gz MLEVLGRWPSSWIR-YADHBBJMSA-N 1 1 448.966 4.650 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCC ZINC000036304876 568994776 /nfs/dbraw/zinc/99/47/76/568994776.db2.gz CIDVVVLVOPKGBZ-QHCPKHFHSA-N 1 1 437.584 4.891 50 0 IJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308587 568995593 /nfs/dbraw/zinc/99/55/93/568995593.db2.gz LDSOTLYOWRTZTJ-UPVQGACJSA-N 1 1 435.568 4.725 50 0 IJAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308587 568995594 /nfs/dbraw/zinc/99/55/94/568995594.db2.gz LDSOTLYOWRTZTJ-UPVQGACJSA-N 1 1 435.568 4.725 50 0 IJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000036341688 569078997 /nfs/dbraw/zinc/07/89/97/569078997.db2.gz FIIAQODDCVBTTN-NBGIEHNGSA-N 1 1 449.595 4.873 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345900 569080840 /nfs/dbraw/zinc/08/08/40/569080840.db2.gz CAWATCGPQJISDG-QHCPKHFHSA-N 1 1 435.568 4.643 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345900 569080841 /nfs/dbraw/zinc/08/08/41/569080841.db2.gz CAWATCGPQJISDG-QHCPKHFHSA-N 1 1 435.568 4.643 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346314 569081233 /nfs/dbraw/zinc/08/12/33/569081233.db2.gz VAIJRKUYJCVGPW-QFIPXVFZSA-N 1 1 441.547 4.720 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025599 569090762 /nfs/dbraw/zinc/09/07/62/569090762.db2.gz SEPZAIZJOFUPMC-HXUWFJFHSA-N 1 1 435.616 4.883 50 0 IJAAMO CCOc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc(OCC)c1OCC ZINC000036408656 569103395 /nfs/dbraw/zinc/10/33/95/569103395.db2.gz JXMSIDPGTLUYCH-UNMCSNQZSA-N 1 1 438.568 4.639 50 0 IJAAMO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)cc1OC ZINC000065322275 569136604 /nfs/dbraw/zinc/13/66/04/569136604.db2.gz JVKGSSOAXAGERU-UHFFFAOYSA-N 1 1 436.556 4.873 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037572199 569201212 /nfs/dbraw/zinc/20/12/12/569201212.db2.gz YBZITZOGQDFLOQ-UHFFFAOYSA-N 1 1 438.568 4.994 50 0 IJAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000013120784 569311157 /nfs/dbraw/zinc/31/11/57/569311157.db2.gz JROIOXMOKUJDTF-BWKNWUBXSA-N 1 1 431.561 4.533 50 0 IJAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000013120784 569311158 /nfs/dbraw/zinc/31/11/58/569311158.db2.gz JROIOXMOKUJDTF-BWKNWUBXSA-N 1 1 431.561 4.533 50 0 IJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1F ZINC000079025193 569322865 /nfs/dbraw/zinc/32/28/65/569322865.db2.gz KYUDHPUNFOHQAI-FYJFLYSWSA-N 1 1 429.908 4.573 50 0 IJAAMO CC(C)(C)c1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000095351641 569361907 /nfs/dbraw/zinc/36/19/07/569361907.db2.gz OKLZUMGNKSVRAO-XMMPIXPASA-N 1 1 442.619 4.826 50 0 IJAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000020412694 569364200 /nfs/dbraw/zinc/36/42/00/569364200.db2.gz WCUOFPDUYJZKGE-HOTGVXAUSA-N 1 1 441.959 4.899 50 0 IJAAMO O=c1ccc2ccc(OCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc2o1 ZINC000096028220 569380919 /nfs/dbraw/zinc/38/09/19/569380919.db2.gz DDPLCPVQSVYXOF-UHFFFAOYSA-N 1 1 433.335 4.691 50 0 IJAAMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+]3C[C@@H](C4CCCCC4)C[C@H]23)cc(OC)c1OC ZINC000004028975 569458228 /nfs/dbraw/zinc/45/82/28/569458228.db2.gz DQQSJVFAXXWRKE-SESVDKBCSA-N 1 1 431.573 4.550 50 0 biogenic IJAAMO CCc1cc([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546455 569463558 /nfs/dbraw/zinc/46/35/58/569463558.db2.gz BZBQBRDZPCHYFU-NRFANRHFSA-N 1 1 427.545 4.632 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709611 569470814 /nfs/dbraw/zinc/47/08/14/569470814.db2.gz YOEKBHBRPRHEBT-FTJBHMTQSA-N 1 1 432.589 4.972 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709611 569470815 /nfs/dbraw/zinc/47/08/15/569470815.db2.gz YOEKBHBRPRHEBT-FTJBHMTQSA-N 1 1 432.589 4.972 50 0 IJAAMO Cc1ccc(-c2cnc(CCC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)o2)cc1C ZINC000040051013 569484357 /nfs/dbraw/zinc/48/43/57/569484357.db2.gz MMJWJXNQELPNJW-UHFFFAOYSA-N 1 1 435.543 4.765 50 0 IJAAMO Cc1ccc(-c2cnc(CCC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)o2)cc1C ZINC000040051013 569484358 /nfs/dbraw/zinc/48/43/58/569484358.db2.gz MMJWJXNQELPNJW-UHFFFAOYSA-N 1 1 435.543 4.765 50 0 IJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119822 569489418 /nfs/dbraw/zinc/48/94/18/569489418.db2.gz FBPCUFCEIKTLFQ-HUUCEWRRSA-N 1 1 427.599 4.722 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000009823178 569569582 /nfs/dbraw/zinc/56/95/82/569569582.db2.gz PZFKBUVCFMKXLV-RTWAWAEBSA-N 1 1 435.549 4.865 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000009823178 569569583 /nfs/dbraw/zinc/56/95/83/569569583.db2.gz PZFKBUVCFMKXLV-RTWAWAEBSA-N 1 1 435.549 4.865 50 0 IJAAMO Cc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000096803804 132225784 /nfs/dbraw/zinc/22/57/84/132225784.db2.gz ISIXAHSFLWBNMU-YVMONPNESA-N 1 1 427.527 4.679 50 0 IJAAMO CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000013069376 132343980 /nfs/dbraw/zinc/34/39/80/132343980.db2.gz ZXJILLBLYLEDEU-KRWDZBQOSA-N 1 1 444.000 4.913 50 0 IJAAMO CC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cs1 ZINC000012308990 518275794 /nfs/dbraw/zinc/27/57/94/518275794.db2.gz LOZNIKFNEIKWKT-UHFFFAOYSA-N 1 1 435.549 4.989 50 0 IJAAMO CCCNC(=O)N[C@H](CC)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1C ZINC000036048516 519886530 /nfs/dbraw/zinc/88/65/30/519886530.db2.gz GSXJDICLAABWAD-RDGATRHJSA-N 1 1 439.600 4.599 50 0 IJAAMO CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccc(C)cc32)C1 ZINC000021158437 521121580 /nfs/dbraw/zinc/12/15/80/521121580.db2.gz ZKXMYMLHTAFDLN-HXUWFJFHSA-N 1 1 446.547 4.952 50 0 IJAAMO CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012709430 521323314 /nfs/dbraw/zinc/32/33/14/521323314.db2.gz WELNWGIANNSANM-QHCPKHFHSA-N 1 1 428.592 4.757 50 0 IJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@@H](c3cccs3)c3ccc(C)cc3)cc2)CC1 ZINC000012516156 521698057 /nfs/dbraw/zinc/69/80/57/521698057.db2.gz FTBQSHZOTJSVTD-AREMUKBSSA-N 1 1 448.636 4.516 50 0 IJAAMO C[N@@H+](CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)Cc1ccccc1 ZINC000035560149 522769149 /nfs/dbraw/zinc/76/91/49/522769149.db2.gz KTXVDWSRYHMBMO-UHFFFAOYSA-N 1 1 446.982 4.990 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043123 523048820 /nfs/dbraw/zinc/04/88/20/523048820.db2.gz PJSVLVUCKIHMGS-BCHFMIIMSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043123 523048825 /nfs/dbraw/zinc/04/88/25/523048825.db2.gz PJSVLVUCKIHMGS-BCHFMIIMSA-N 1 1 430.548 4.622 50 0 IJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)C1 ZINC000020733508 524087605 /nfs/dbraw/zinc/08/76/05/524087605.db2.gz NQKNTONXGRGXCG-JYBCESJWSA-N 1 1 435.593 4.624 50 0 IJAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3C(F)(F)F)[N@H+]3CCC[C@@]23C1=O ZINC000012588195 524454414 /nfs/dbraw/zinc/45/44/14/524454414.db2.gz MBGLSEPVUNWSDS-NYDSKATKSA-N 1 1 430.470 4.652 50 0 IJAAMO C[C@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@H](C)O1 ZINC000020590802 524600152 /nfs/dbraw/zinc/60/01/52/524600152.db2.gz BIZAJYNCAAMPKZ-HOTGVXAUSA-N 1 1 427.932 4.591 50 0 IJAAMO C[C@@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022796623 525190568 /nfs/dbraw/zinc/19/05/68/525190568.db2.gz ZVJFLTLRDFVZJN-HYBUGGRVSA-N 1 1 440.657 4.627 50 0 IJAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@@H](C(=O)c4cccnc4)C3)ccc2c1 ZINC000012301988 525618000 /nfs/dbraw/zinc/61/80/00/525618000.db2.gz QHBOQLCFEIREFT-JOCHJYFZSA-N 1 1 426.520 4.728 50 0 IJAAMO Cc1ccc(-c2noc(CCC(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)n2)cc1 ZINC000022295730 525875850 /nfs/dbraw/zinc/87/58/50/525875850.db2.gz IPJFEHGVUZCNSJ-IAGOWNOFSA-N 1 1 439.585 4.551 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915439 526247828 /nfs/dbraw/zinc/24/78/28/526247828.db2.gz MHJZWALTVZSNCI-IBGZPJMESA-N 1 1 448.611 4.518 50 0 IJAAMO O=C(NCCc1c[nH]c2ccccc12)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000012629587 526393028 /nfs/dbraw/zinc/39/30/28/526393028.db2.gz CPYFXHKYIYTWDR-UHFFFAOYSA-N 1 1 440.385 4.501 50 0 IJAAMO Cn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c(-c2ccccc2)n1 ZINC000012591277 527307532 /nfs/dbraw/zinc/30/75/32/527307532.db2.gz OCRQTOAPOJRQHU-CHZKFRDHSA-N 1 1 446.982 4.679 50 0 IJAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908075 527516675 /nfs/dbraw/zinc/51/66/75/527516675.db2.gz CJSIIHYWWFRQMA-JTHBVZDNSA-N 1 1 449.561 4.760 50 0 IJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)N(C)Cc4ccccc4)c3)CC2)cc1C ZINC000034668116 555792313 /nfs/dbraw/zinc/79/23/13/555792313.db2.gz NDMTYXDRJUSHAQ-UHFFFAOYSA-N 1 1 427.592 4.898 50 0 IJAAMO CC(C)CNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671480 555793134 /nfs/dbraw/zinc/79/31/34/555793134.db2.gz LZMCQQKTHMBREN-NDEPHWFRSA-N 1 1 428.576 4.985 50 0 IJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676392 555794336 /nfs/dbraw/zinc/79/43/36/555794336.db2.gz FCOVVDICQWPDJJ-KRWDZBQOSA-N 1 1 436.358 4.559 50 0 IJAAMO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000034681756 555815370 /nfs/dbraw/zinc/81/53/70/555815370.db2.gz VBWMUAJNXXOKOC-UHFFFAOYSA-N 1 1 434.971 4.629 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccoc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034684009 555819413 /nfs/dbraw/zinc/81/94/13/555819413.db2.gz FEJWYLQHCGZSKN-UHFFFAOYSA-N 1 1 446.519 4.726 50 0 IJAAMO O=C(NCc1ccc(F)cc1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684593 555820136 /nfs/dbraw/zinc/82/01/36/555820136.db2.gz CGZQBXOONWCXSG-UHFFFAOYSA-N 1 1 437.946 4.731 50 0 IJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1cc(I)c(O)c(OC)c1 ZINC000002893787 555859953 /nfs/dbraw/zinc/85/99/53/555859953.db2.gz OXHBCQGJJFGDOP-UHFFFAOYSA-N 1 1 425.310 4.808 50 0 IJAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)[nH]n1 ZINC000011817586 556360149 /nfs/dbraw/zinc/36/01/49/556360149.db2.gz ORWZITXVNSSBCI-UHFFFAOYSA-N 1 1 440.979 4.548 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)/C=C/c1ccccc1F ZINC000011912816 556375529 /nfs/dbraw/zinc/37/55/29/556375529.db2.gz CFOJWZQFZYWPFQ-FMIVXFBMSA-N 1 1 441.528 4.714 50 0 IJAAMO OCC1(CCCc2ccccc2)CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000011934329 556377572 /nfs/dbraw/zinc/37/75/72/556377572.db2.gz SGCCERVFTUIYAO-UHFFFAOYSA-N 1 1 425.960 4.987 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973882 556419888 /nfs/dbraw/zinc/41/98/88/556419888.db2.gz NRKQHSTXTVRZCZ-IBGZPJMESA-N 1 1 438.549 4.936 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973882 556419890 /nfs/dbraw/zinc/41/98/90/556419890.db2.gz NRKQHSTXTVRZCZ-IBGZPJMESA-N 1 1 438.549 4.936 50 0 IJAAMO CCN1CC[NH+](C2(CNC(=O)c3oc4cc(C)c(Cl)cc4c3C)CCCCC2)CC1 ZINC000028292627 556450761 /nfs/dbraw/zinc/45/07/61/556450761.db2.gz QBCJFIXEYJFLIL-UHFFFAOYSA-N 1 1 432.008 4.773 50 0 IJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000013596425 556531891 /nfs/dbraw/zinc/53/18/91/556531891.db2.gz VZZRFQKHVRKRIW-MEQKGCOVSA-N 1 1 428.523 4.795 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CCCC2 ZINC000015946865 556567797 /nfs/dbraw/zinc/56/77/97/556567797.db2.gz HYFCDDFKXQPUPS-UHFFFAOYSA-N 1 1 441.597 4.558 50 0 IJAAMO COc1cc(Br)c(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1OC ZINC000022078132 556577876 /nfs/dbraw/zinc/57/78/76/556577876.db2.gz RIZMQLCYQXOBMY-KNQAVFIVSA-N 1 1 437.422 4.695 50 0 IJAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069037 556710657 /nfs/dbraw/zinc/71/06/57/556710657.db2.gz LTRXNPXHOFLNRC-QGZVFWFLSA-N 1 1 426.948 4.700 50 0 IJAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069037 556710660 /nfs/dbraw/zinc/71/06/60/556710660.db2.gz LTRXNPXHOFLNRC-QGZVFWFLSA-N 1 1 426.948 4.700 50 0 IJAAMO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)s1 ZINC000055042214 556732355 /nfs/dbraw/zinc/73/23/55/556732355.db2.gz ZIFUKWDVORZEFQ-LJQANCHMSA-N 1 1 437.531 4.502 50 0 IJAAMO COCCN(Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055098952 556734214 /nfs/dbraw/zinc/73/42/14/556734214.db2.gz AJPDSHLCOANOTB-QFIPXVFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COCCN(Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055098952 556734220 /nfs/dbraw/zinc/73/42/20/556734220.db2.gz AJPDSHLCOANOTB-QFIPXVFZSA-N 1 1 429.608 4.563 50 0 IJAAMO c1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1 ZINC000055090492 556734306 /nfs/dbraw/zinc/73/43/06/556734306.db2.gz FBLOFCAXJJTRPW-UHFFFAOYSA-N 1 1 435.641 4.986 50 0 IJAAMO Cc1cnccc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055575778 556742856 /nfs/dbraw/zinc/74/28/56/556742856.db2.gz DOJOXGAHLMSQMD-UHFFFAOYSA-N 1 1 426.520 4.663 50 0 IJAAMO Cc1cc(C)n(Cc2cccc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)c2)n1 ZINC000057995313 556751655 /nfs/dbraw/zinc/75/16/55/556751655.db2.gz DHTAZIXJNYLNNQ-UHFFFAOYSA-N 1 1 438.575 4.659 50 0 IJAAMO OCC[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1cc(Br)ccc1F ZINC000060381435 556812575 /nfs/dbraw/zinc/81/25/75/556812575.db2.gz CCYFUCYXQBWPFQ-UHFFFAOYSA-N 1 1 445.332 4.557 50 0 IJAAMO OCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1cc(Br)ccc1F ZINC000060381435 556812578 /nfs/dbraw/zinc/81/25/78/556812578.db2.gz CCYFUCYXQBWPFQ-UHFFFAOYSA-N 1 1 445.332 4.557 50 0 IJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000033059966 556816408 /nfs/dbraw/zinc/81/64/08/556816408.db2.gz XVZMUOQDOKSOSB-UHFFFAOYSA-N 1 1 432.593 4.956 50 0 IJAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000065365409 556835998 /nfs/dbraw/zinc/83/59/98/556835998.db2.gz OMKXNHVVFNVQPO-UHFFFAOYSA-N 1 1 446.555 4.590 50 0 IJAAMO COc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4nc(C)n5ccccc45)C3)ccn2)c(OC)c1 ZINC000065374231 556836254 /nfs/dbraw/zinc/83/62/54/556836254.db2.gz JGBCEGRWQXSPBM-FQEVSTJZSA-N 1 1 428.536 4.711 50 0 IJAAMO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491415 556843082 /nfs/dbraw/zinc/84/30/82/556843082.db2.gz QAWAZXVILFINJW-QHCPKHFHSA-N 1 1 427.552 4.891 50 0 IJAAMO c1cn(CC[C@@H]2CCCC[N@H+]2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491415 556843084 /nfs/dbraw/zinc/84/30/84/556843084.db2.gz QAWAZXVILFINJW-QHCPKHFHSA-N 1 1 427.552 4.891 50 0 IJAAMO Cc1ccccc1NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069233 556850824 /nfs/dbraw/zinc/85/08/24/556850824.db2.gz KJQBHAJONNLCQK-UHFFFAOYSA-N 1 1 436.943 4.892 50 0 IJAAMO Cc1ccccc1NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069233 556850829 /nfs/dbraw/zinc/85/08/29/556850829.db2.gz KJQBHAJONNLCQK-UHFFFAOYSA-N 1 1 436.943 4.892 50 0 IJAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3cccc(C)c3)cc2[nH]1 ZINC000033126327 556867116 /nfs/dbraw/zinc/86/71/16/556867116.db2.gz FIQPESGXUAYGIN-UHFFFAOYSA-N 1 1 444.579 4.770 50 0 IJAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019795165 556916329 /nfs/dbraw/zinc/91/63/29/556916329.db2.gz SYZKITZSZASLTQ-QHCPKHFHSA-N 1 1 432.637 4.905 50 0 IJAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019795165 556916332 /nfs/dbraw/zinc/91/63/32/556916332.db2.gz SYZKITZSZASLTQ-QHCPKHFHSA-N 1 1 432.637 4.905 50 0 IJAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000020192891 556996669 /nfs/dbraw/zinc/99/66/69/556996669.db2.gz GWRKDIQQZWKEPJ-OAQYLSRUSA-N 1 1 427.545 4.686 50 0 IJAAMO CN(Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211707 556998758 /nfs/dbraw/zinc/99/87/58/556998758.db2.gz NCZBVBRBLDZVJF-FQEVSTJZSA-N 1 1 429.033 4.974 50 0 IJAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032483 557025128 /nfs/dbraw/zinc/02/51/28/557025128.db2.gz NZADUVBHCJCYNJ-UHFFFAOYSA-N 1 1 434.565 4.629 50 0 IJAAMO C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181357 557045373 /nfs/dbraw/zinc/04/53/73/557045373.db2.gz JEKIDGXLWNNTSW-FDDCHVKYSA-N 1 1 429.605 4.836 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCCCCCC1 ZINC000023340170 557086071 /nfs/dbraw/zinc/08/60/71/557086071.db2.gz YQBUVQXLLUXCKT-LJQANCHMSA-N 1 1 440.588 4.931 50 0 IJAAMO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000026132425 557236068 /nfs/dbraw/zinc/23/60/68/557236068.db2.gz GQECYFKHUOEITQ-FQEVSTJZSA-N 1 1 443.544 4.886 50 0 IJAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2cccc(Cl)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000104982766 568623232 /nfs/dbraw/zinc/62/32/32/568623232.db2.gz BVPCRCYAEVKOTF-FGZHOGPDSA-N 1 1 445.003 4.820 50 0 IJAAMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000083864132 568783838 /nfs/dbraw/zinc/78/38/38/568783838.db2.gz KWWNYRFLAVBEPE-UHFFFAOYSA-N 1 1 430.474 4.852 50 0 IJAAMO C[N@@H+](CCCNC(=O)c1ccc(N2CCSc3ncccc32)s1)Cc1ccccc1 ZINC000015769786 568822146 /nfs/dbraw/zinc/82/21/46/568822146.db2.gz DVPQJRTVQUTJQJ-UHFFFAOYSA-N 1 1 438.622 4.639 50 0 IJAAMO Cc1cccc(N2CC[N@H+](C[C@H](O)CO[C@@H](c3ccccc3)c3ccccc3C)C[C@H]2C)c1 ZINC000239297191 568911049 /nfs/dbraw/zinc/91/10/49/568911049.db2.gz DSZYVPQRNAHHSZ-QXGAZULMSA-N 1 1 444.619 4.981 50 0 IJAAMO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801867 568961544 /nfs/dbraw/zinc/96/15/44/568961544.db2.gz QCRURRJANJIXAI-UHFFFAOYSA-N 1 1 437.569 4.628 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COc1ccccc1 ZINC000036246068 568981781 /nfs/dbraw/zinc/98/17/81/568981781.db2.gz RYCNVKWQRWZOKB-QFIPXVFZSA-N 1 1 437.584 4.840 50 0 IJAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303495 568993816 /nfs/dbraw/zinc/99/38/16/568993816.db2.gz QWWSUDDQLOPWDD-HXUWFJFHSA-N 1 1 443.975 4.846 50 0 IJAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303495 568993818 /nfs/dbraw/zinc/99/38/18/568993818.db2.gz QWWSUDDQLOPWDD-HXUWFJFHSA-N 1 1 443.975 4.846 50 0 IJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CCCC1 ZINC000036312161 568997660 /nfs/dbraw/zinc/99/76/60/568997660.db2.gz YYYQTMKBTMZLOZ-SFHVURJKSA-N 1 1 442.579 4.550 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036344967 569080403 /nfs/dbraw/zinc/08/04/03/569080403.db2.gz XUHCENILLDFYEA-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036344967 569080405 /nfs/dbraw/zinc/08/04/05/569080405.db2.gz XUHCENILLDFYEA-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000036489980 569114648 /nfs/dbraw/zinc/11/46/48/569114648.db2.gz DCMKUKOOWBVXTO-NVQXNPDNSA-N 1 1 438.568 4.507 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000036489980 569114649 /nfs/dbraw/zinc/11/46/49/569114649.db2.gz DCMKUKOOWBVXTO-NVQXNPDNSA-N 1 1 438.568 4.507 50 0 IJAAMO CCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000065322482 569136723 /nfs/dbraw/zinc/13/67/23/569136723.db2.gz TZEFHKFBFXLLMT-UHFFFAOYSA-N 1 1 426.948 4.713 50 0 IJAAMO C[C@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891127 569165665 /nfs/dbraw/zinc/16/56/65/569165665.db2.gz ZMUYOBKNTITZLC-GAJHUEQPSA-N 1 1 441.547 4.708 50 0 IJAAMO CCN(Cc1nn(-c2ccccc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037377916 569186780 /nfs/dbraw/zinc/18/67/80/569186780.db2.gz QEKQHZJGMWPEPY-UHFFFAOYSA-N 1 1 428.580 4.579 50 0 IJAAMO CCN(Cc1nn(-c2ccccc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037377916 569186781 /nfs/dbraw/zinc/18/67/81/569186781.db2.gz QEKQHZJGMWPEPY-UHFFFAOYSA-N 1 1 428.580 4.579 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[NH+]1C[C@@H]2CC=C(Cl)C[C@H]2C1 ZINC000253487151 569283060 /nfs/dbraw/zinc/28/30/60/569283060.db2.gz FUPHRLAFWMRUCX-BURNTYAHSA-N 1 1 426.476 4.975 50 0 IJAAMO 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CCc1cc([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546454 569463624 /nfs/dbraw/zinc/46/36/24/569463624.db2.gz BZBQBRDZPCHYFU-OAQYLSRUSA-N 1 1 427.545 4.632 50 0 IJAAMO C[NH+]1CCN([C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546524 569463700 /nfs/dbraw/zinc/46/37/00/569463700.db2.gz DSRUDKFEAQSZAE-OAQYLSRUSA-N 1 1 441.622 4.871 50 0 IJAAMO COC(=O)c1ccc(Cl)c(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000009220424 569512571 /nfs/dbraw/zinc/51/25/71/569512571.db2.gz QVBBPABZEJCDCT-UHFFFAOYSA-N 1 1 443.975 4.942 50 0 IJAAMO CC[C@H](C)[N@@H+](CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccco1 ZINC000009227568 569513438 /nfs/dbraw/zinc/51/34/38/569513438.db2.gz FFDIOIRTINAYFH-IBGZPJMESA-N 1 1 438.572 4.673 50 0 IJAAMO O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000069842489 569521264 /nfs/dbraw/zinc/52/12/64/569521264.db2.gz WLBJATSDSYOELI-HSZRJFAPSA-N 1 1 436.999 4.889 50 0 IJAAMO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000009671662 569558611 /nfs/dbraw/zinc/55/86/11/569558611.db2.gz DDTBTJPYLVVOBT-LJQANCHMSA-N 1 1 438.528 4.694 50 0 IJAAMO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009678378 569559650 /nfs/dbraw/zinc/55/96/50/569559650.db2.gz LJXALBGJXSRQCS-BGYRXZFFSA-N 1 1 432.564 4.866 50 0 IJAAMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008832648 132295405 /nfs/dbraw/zinc/29/54/05/132295405.db2.gz GLIGLJOIIAUUOM-ZDUSSCGKSA-N 1 1 442.774 4.805 50 0 IJAAMO CC[C@H](C(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1)c1ccccc1 ZINC000009573244 132321996 /nfs/dbraw/zinc/32/19/96/132321996.db2.gz PJYMGCJCCNVDNN-QHCPKHFHSA-N 1 1 429.568 4.679 50 0 IJAAMO CC(=O)c1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC000020599080 518275943 /nfs/dbraw/zinc/27/59/43/518275943.db2.gz LZZYWXVMNWOJHY-JOCHJYFZSA-N 1 1 431.690 4.893 50 0 IJAAMO CC(=O)c1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000020599080 518275951 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ZINC000020841321 523320672 /nfs/dbraw/zinc/32/06/72/523320672.db2.gz OZARKGIVYSABIS-UHFFFAOYSA-N 1 1 449.601 4.736 50 0 IJAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000020827893 523995218 /nfs/dbraw/zinc/99/52/18/523995218.db2.gz UFPISSJIUGKMEF-UHFFFAOYSA-N 1 1 433.602 4.787 50 0 IJAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000020827893 523995220 /nfs/dbraw/zinc/99/52/20/523995220.db2.gz UFPISSJIUGKMEF-UHFFFAOYSA-N 1 1 433.602 4.787 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(OC)c1OC ZINC000042437774 524027590 /nfs/dbraw/zinc/02/75/90/524027590.db2.gz HDAOXWFFMWZTCW-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000035888508 524101734 /nfs/dbraw/zinc/10/17/34/524101734.db2.gz CBLGQFGVSWPZFX-KNQAVFIVSA-N 1 1 447.579 4.799 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907884 524197997 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427.527 4.679 50 0 IJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031489 526289183 /nfs/dbraw/zinc/28/91/83/526289183.db2.gz ZTCBRVKAEFHRED-FQEVSTJZSA-N 1 1 443.902 4.650 50 0 IJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031489 526289188 /nfs/dbraw/zinc/28/91/88/526289188.db2.gz ZTCBRVKAEFHRED-FQEVSTJZSA-N 1 1 443.902 4.650 50 0 IJAAMO c1cc2c(s1)CC[N@@H+](Cc1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCO3)C2 ZINC000012580113 526446522 /nfs/dbraw/zinc/44/65/22/526446522.db2.gz FXRLTJVYDMMDBO-UHFFFAOYSA-N 1 1 429.545 4.947 50 0 IJAAMO c1cc2c(s1)CC[N@H+](Cc1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCO3)C2 ZINC000012580113 526446527 /nfs/dbraw/zinc/44/65/27/526446527.db2.gz FXRLTJVYDMMDBO-UHFFFAOYSA-N 1 1 429.545 4.947 50 0 IJAAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000012479979 526535106 /nfs/dbraw/zinc/53/51/06/526535106.db2.gz MAULWMUAVQGOBZ-XMMPIXPASA-N 1 1 441.015 4.538 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035828152 526815460 /nfs/dbraw/zinc/81/54/60/526815460.db2.gz WAAAXVMBZZKAGF-KWNHSTDBSA-N 1 1 443.934 4.643 50 0 IJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH+]1 ZINC000021794449 527002692 /nfs/dbraw/zinc/00/26/92/527002692.db2.gz AMPGBLDRCLXAPY-UHFFFAOYSA-N 1 1 445.567 4.915 50 0 IJAAMO O=C(Cc1c(F)cc(F)cc1F)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000012167491 527197063 /nfs/dbraw/zinc/19/70/63/527197063.db2.gz RPDHNAAAWOYQGY-LVPYQSIUSA-N 1 1 428.498 4.673 50 0 IJAAMO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000013113266 527656291 /nfs/dbraw/zinc/65/62/91/527656291.db2.gz NLQXWOAIDVRQDA-YLJYHZDGSA-N 1 1 429.429 4.706 50 0 IJAAMO Cc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4c(F)cccc4F)CC3)nc2)c1 ZINC000034681865 555815633 /nfs/dbraw/zinc/81/56/33/555815633.db2.gz SEDWKBFREAMEKX-UHFFFAOYSA-N 1 1 436.506 4.633 50 0 IJAAMO Cc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4c(F)cccc4F)CC3)nc2)c1 ZINC000034681865 555815636 /nfs/dbraw/zinc/81/56/36/555815636.db2.gz SEDWKBFREAMEKX-UHFFFAOYSA-N 1 1 436.506 4.633 50 0 IJAAMO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683349 555818726 /nfs/dbraw/zinc/81/87/26/555818726.db2.gz FYVYYPZCJDNDKH-UHFFFAOYSA-N 1 1 440.584 4.819 50 0 IJAAMO FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000013686491 556276678 /nfs/dbraw/zinc/27/66/78/556276678.db2.gz UHPHHCWTLGAMAT-HNNXBMFYSA-N 1 1 435.943 4.632 50 0 IJAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)ccc21 ZINC000011667404 556346497 /nfs/dbraw/zinc/34/64/97/556346497.db2.gz FICMYSZSLCAGGY-NRFANRHFSA-N 1 1 433.596 4.665 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C/C(C)=C/c3ccco3)C2)c(OC)c1 ZINC000011844312 556367153 /nfs/dbraw/zinc/36/71/53/556367153.db2.gz OWNUHMTZOAKPJX-SSUIOBEFSA-N 1 1 426.557 4.509 50 0 IJAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012072416 556396179 /nfs/dbraw/zinc/39/61/79/556396179.db2.gz HUWJIHFFBLPXSN-TWXKGHLFSA-N 1 1 435.612 4.520 50 0 IJAAMO COc1ccc(-c2noc(CN3CCC[C@@]4(CCC[N@@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000012072553 556396192 /nfs/dbraw/zinc/39/61/92/556396192.db2.gz IFUABTPDOPMCRN-AREMUKBSSA-N 1 1 432.568 4.623 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1)NCc1ccccc1Cl ZINC000014948378 556459929 /nfs/dbraw/zinc/45/99/29/556459929.db2.gz LFJBQVZQGLGIBI-SFHVURJKSA-N 1 1 443.016 4.896 50 0 IJAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029477715 556476218 /nfs/dbraw/zinc/47/62/18/556476218.db2.gz COWLSYOSDAFARZ-IXCJQBJRSA-N 1 1 428.576 4.532 50 0 IJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccsc4)CC3)c2C(=O)N1c1cccc(Cl)c1 ZINC000014995749 556477663 /nfs/dbraw/zinc/47/76/63/556477663.db2.gz CUHZTAVFBQASEB-UHFFFAOYSA-N 1 1 437.952 4.524 50 0 IJAAMO Cc1nn(C)c(Cl)c1CN(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015072837 556497291 /nfs/dbraw/zinc/49/72/91/556497291.db2.gz HHSNDCBPNGIBMZ-SFHVURJKSA-N 1 1 442.957 4.787 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000015075396 556499153 /nfs/dbraw/zinc/49/91/53/556499153.db2.gz YLLSCKYZTODXDL-UHFFFAOYSA-N 1 1 431.960 4.745 50 0 IJAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)CC1 ZINC000004554380 556503108 /nfs/dbraw/zinc/50/31/08/556503108.db2.gz COOHTSIQAMVKBX-KRWDZBQOSA-N 1 1 425.598 4.796 50 0 IJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000015319694 556519932 /nfs/dbraw/zinc/51/99/32/556519932.db2.gz WNSAZITZPZMZJI-XLIONFOSSA-N 1 1 440.494 4.755 50 0 IJAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)CCC3)cc1 ZINC000015946029 556567037 /nfs/dbraw/zinc/56/70/37/556567037.db2.gz IRBKKNKWSQXHHA-MRXNPFEDSA-N 1 1 441.597 4.558 50 0 IJAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)CCC3)cc1 ZINC000015946029 556567039 /nfs/dbraw/zinc/56/70/39/556567039.db2.gz IRBKKNKWSQXHHA-MRXNPFEDSA-N 1 1 441.597 4.558 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn21 ZINC000034833295 556583162 /nfs/dbraw/zinc/58/31/62/556583162.db2.gz URBJMIGQPUNEIU-LJQANCHMSA-N 1 1 433.600 4.688 50 0 IJAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032974940 556596850 /nfs/dbraw/zinc/59/68/50/556596850.db2.gz NXHFYOKQSJXEIS-QFIPXVFZSA-N 1 1 430.596 4.771 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 ZINC000005145260 556642205 /nfs/dbraw/zinc/64/22/05/556642205.db2.gz JSTLEKWSYJUCES-FQEVSTJZSA-N 1 1 428.646 4.917 50 0 IJAAMO C[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000055061159 556733506 /nfs/dbraw/zinc/73/35/06/556733506.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 1 1 434.559 4.795 50 0 IJAAMO CN(Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000055061159 556733525 /nfs/dbraw/zinc/73/35/25/556733525.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 1 1 434.559 4.795 50 0 IJAAMO CN(Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000055061159 556733530 /nfs/dbraw/zinc/73/35/30/556733530.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 1 1 434.559 4.795 50 0 IJAAMO Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000057330558 556747229 /nfs/dbraw/zinc/74/72/29/556747229.db2.gz QFCQZRBQLJACFS-UHFFFAOYSA-N 1 1 447.554 4.782 50 0 IJAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC000057992897 556751100 /nfs/dbraw/zinc/75/11/00/556751100.db2.gz GXHZFLQASJNUFJ-HXUWFJFHSA-N 1 1 443.632 4.572 50 0 IJAAMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160614 556764664 /nfs/dbraw/zinc/76/46/64/556764664.db2.gz RELUVUUCVNJDQH-RUZDIDTESA-N 1 1 443.547 4.726 50 0 IJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C)nn2-c2ccccc2)c2ccccc2)cc1 ZINC000058175420 556769133 /nfs/dbraw/zinc/76/91/33/556769133.db2.gz AUTQELFPUDCSIW-AREMUKBSSA-N 1 1 426.520 4.507 50 0 IJAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209309 556771667 /nfs/dbraw/zinc/77/16/67/556771667.db2.gz QEBBOZLXHQHKGB-RDJZCZTQSA-N 1 1 442.922 4.586 50 0 IJAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209309 556771671 /nfs/dbraw/zinc/77/16/71/556771671.db2.gz QEBBOZLXHQHKGB-RDJZCZTQSA-N 1 1 442.922 4.586 50 0 IJAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 ZINC000058966078 556793383 /nfs/dbraw/zinc/79/33/83/556793383.db2.gz OLIFPRNXNHWXCT-HNNXBMFYSA-N 1 1 442.913 4.786 50 0 IJAAMO CC(C)CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000059322805 556797782 /nfs/dbraw/zinc/79/77/82/556797782.db2.gz YSAUPWXIHXWENX-XNMGPUDCSA-N 1 1 425.661 4.792 50 0 IJAAMO CC(C)CCN1CC[C@H]([N@H+]2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000059322805 556797783 /nfs/dbraw/zinc/79/77/83/556797783.db2.gz YSAUPWXIHXWENX-XNMGPUDCSA-N 1 1 425.661 4.792 50 0 IJAAMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008918001 556851289 /nfs/dbraw/zinc/85/12/89/556851289.db2.gz ZEJRMEFSBLSGKA-ZXTLDZKUSA-N 1 1 441.999 4.714 50 0 IJAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000033141657 556878057 /nfs/dbraw/zinc/87/80/57/556878057.db2.gz KAVWUANBDHKOGS-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO COc1ccccc1C[N@H+]1CCc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000033141657 556878060 /nfs/dbraw/zinc/87/80/60/556878060.db2.gz KAVWUANBDHKOGS-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000019889958 556938854 /nfs/dbraw/zinc/93/88/54/556938854.db2.gz JDAQRPQVQTWRAH-UHFFFAOYSA-N 1 1 446.591 4.991 50 0 IJAAMO COc1ccc2[nH]c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000019944168 556954200 /nfs/dbraw/zinc/95/42/00/556954200.db2.gz AQLUGDDNIPVPIY-UHFFFAOYSA-N 1 1 425.532 4.724 50 0 IJAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000020432118 557016486 /nfs/dbraw/zinc/01/64/86/557016486.db2.gz PXGXYYDXQDUXFU-VWLOTQADSA-N 1 1 432.520 4.715 50 0 IJAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000020432118 557016490 /nfs/dbraw/zinc/01/64/90/557016490.db2.gz PXGXYYDXQDUXFU-VWLOTQADSA-N 1 1 432.520 4.715 50 0 IJAAMO CC(C)(C)c1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032242 557024810 /nfs/dbraw/zinc/02/48/10/557024810.db2.gz VFWFBQIQYISXQK-UHFFFAOYSA-N 1 1 436.556 4.790 50 0 IJAAMO CC(C)(C)c1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032242 557024813 /nfs/dbraw/zinc/02/48/13/557024813.db2.gz VFWFBQIQYISXQK-UHFFFAOYSA-N 1 1 436.556 4.790 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181721 557045769 /nfs/dbraw/zinc/04/57/69/557045769.db2.gz GBYSIDGCWDOYHF-DVECYGJZSA-N 1 1 441.641 4.705 50 0 IJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181725 557045856 /nfs/dbraw/zinc/04/58/56/557045856.db2.gz GBYSIDGCWDOYHF-NTKDMRAZSA-N 1 1 441.641 4.705 50 0 IJAAMO CC(C)(C)c1ccc(OCCC[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000022931562 557050178 /nfs/dbraw/zinc/05/01/78/557050178.db2.gz TZWPGYNKCOIKOF-UHFFFAOYSA-N 1 1 444.019 4.663 50 0 IJAAMO CN1CC[NH+](CC[C@H]2CCCCN2C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000022935560 557052345 /nfs/dbraw/zinc/05/23/45/557052345.db2.gz DSUFEMBATMYMGG-MRXNPFEDSA-N 1 1 448.986 4.548 50 0 IJAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3nc(-c4ccccc4)no3)cc2)C1 ZINC000048300066 557062094 /nfs/dbraw/zinc/06/20/94/557062094.db2.gz XHHLRVGIBXPROM-HXUWFJFHSA-N 1 1 432.568 4.608 50 0 IJAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000023224756 557074870 /nfs/dbraw/zinc/07/48/70/557074870.db2.gz FEFMLCGFAXNKIY-XMMPIXPASA-N 1 1 436.983 4.877 50 0 IJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000048374739 557077127 /nfs/dbraw/zinc/07/71/27/557077127.db2.gz PMUPCIQLTFOQHO-DEOSSOPVSA-N 1 1 433.621 4.935 50 0 IJAAMO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000024856837 557174494 /nfs/dbraw/zinc/17/44/94/557174494.db2.gz MXKDNTBPEZJUSQ-UHFFFAOYSA-N 1 1 430.430 4.606 50 0 IJAAMO CC[NH+](CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023328164 557316003 /nfs/dbraw/zinc/31/60/03/557316003.db2.gz YGEHAIWJODKGDO-UHFFFAOYSA-N 1 1 445.611 4.806 50 0 IJAAMO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023336500 557348777 /nfs/dbraw/zinc/34/87/77/557348777.db2.gz JZIJLZKTMXIXMS-UHFFFAOYSA-N 1 1 446.595 4.655 50 0 IJAAMO CCN(CC)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(C)c1 ZINC000051317141 557466416 /nfs/dbraw/zinc/46/64/16/557466416.db2.gz UVAZPAHISZLKCE-UHFFFAOYSA-N 1 1 447.583 4.742 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC ZINC000105007123 557471728 /nfs/dbraw/zinc/47/17/28/557471728.db2.gz KZVKSWPTXVVEKA-IFMALSPDSA-N 1 1 437.584 4.877 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CCCC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000105836313 557511647 /nfs/dbraw/zinc/51/16/47/557511647.db2.gz BKNIKJMIFLJZRD-SIBVEZHUSA-N 1 1 436.596 4.807 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CCCC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000105836313 557511650 /nfs/dbraw/zinc/51/16/50/557511650.db2.gz BKNIKJMIFLJZRD-SIBVEZHUSA-N 1 1 436.596 4.807 50 0 IJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)Nc1ccc(F)cc1 ZINC000009068105 562966842 /nfs/dbraw/zinc/96/68/42/562966842.db2.gz OMRNKIMHGDGPEL-UHFFFAOYSA-N 1 1 447.510 4.907 50 0 IJAAMO COc1cccc(-c2nn(C)c3sc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc23)c1 ZINC000015951897 563020302 /nfs/dbraw/zinc/02/03/02/563020302.db2.gz YFGMDFJJYXETSM-UHFFFAOYSA-N 1 1 448.592 4.562 50 0 IJAAMO C[C@@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288912 563024487 /nfs/dbraw/zinc/02/44/87/563024487.db2.gz OPSSRDBGRZEICH-HXOBKFHXSA-N 1 1 443.613 4.559 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984830 568623478 /nfs/dbraw/zinc/62/34/78/568623478.db2.gz BEOUDJBUXCHTII-JWQCQUIFSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984830 568623480 /nfs/dbraw/zinc/62/34/80/568623480.db2.gz BEOUDJBUXCHTII-JWQCQUIFSA-N 1 1 448.538 4.569 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984747 568623521 /nfs/dbraw/zinc/62/35/21/568623521.db2.gz ARVIHJOVPBUPGR-LEWJYISDSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984747 568623522 /nfs/dbraw/zinc/62/35/22/568623522.db2.gz ARVIHJOVPBUPGR-LEWJYISDSA-N 1 1 448.966 4.650 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000015681277 568806576 /nfs/dbraw/zinc/80/65/76/568806576.db2.gz BQBSVLKWSDOFTL-UHFFFAOYSA-N 1 1 441.579 4.613 50 0 IJAAMO O=C(c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085649845 568831244 /nfs/dbraw/zinc/83/12/44/568831244.db2.gz BTZIYHLJMZANNN-UHFFFAOYSA-N 1 1 449.558 4.845 50 0 IJAAMO CC1(C)C[C@@]2(CCC[N@@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000018122919 568929700 /nfs/dbraw/zinc/92/97/00/568929700.db2.gz UFYFORFRKLSCCV-HHHXNRCGSA-N 1 1 447.623 4.976 50 0 biogenic IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1onc2c1CCCC2 ZINC000426361311 568940971 /nfs/dbraw/zinc/94/09/71/568940971.db2.gz YDJFHBGFJLXGOP-GOSISDBHSA-N 1 1 449.517 4.599 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145979 568962271 /nfs/dbraw/zinc/96/22/71/568962271.db2.gz FAJVOJRUVQYTGQ-VXKWHMMOSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145979 568962272 /nfs/dbraw/zinc/96/22/72/568962272.db2.gz FAJVOJRUVQYTGQ-VXKWHMMOSA-N 1 1 448.966 4.508 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147072 568962368 /nfs/dbraw/zinc/96/23/68/568962368.db2.gz LOSFQGXQAVDBMR-RPBOFIJWSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147072 568962371 /nfs/dbraw/zinc/96/23/71/568962371.db2.gz LOSFQGXQAVDBMR-RPBOFIJWSA-N 1 1 448.538 4.569 50 0 IJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)CC1CC1 ZINC000036246091 568981742 /nfs/dbraw/zinc/98/17/42/568981742.db2.gz MEQBHPHJKUECCG-HSZRJFAPSA-N 1 1 449.595 4.840 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC ZINC000169678916 568990299 /nfs/dbraw/zinc/99/02/99/568990299.db2.gz KZVKSWPTXVVEKA-RBBKRZOGSA-N 1 1 437.584 4.877 50 0 IJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967982 569001971 /nfs/dbraw/zinc/00/19/71/569001971.db2.gz GIZOYIVPBMFJMW-UHFFFAOYSA-N 1 1 425.532 4.597 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343929 569079891 /nfs/dbraw/zinc/07/98/91/569079891.db2.gz ZZJUTFXJUPDTIS-QFIPXVFZSA-N 1 1 425.960 4.758 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344731 569080272 /nfs/dbraw/zinc/08/02/72/569080272.db2.gz VDXDHPHZDZMWQL-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344731 569080274 /nfs/dbraw/zinc/08/02/74/569080274.db2.gz VDXDHPHZDZMWQL-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036345648 569080644 /nfs/dbraw/zinc/08/06/44/569080644.db2.gz ZNSCOPGUCCBWAB-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036345648 569080646 /nfs/dbraw/zinc/08/06/46/569080646.db2.gz ZNSCOPGUCCBWAB-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO 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427.548 4.900 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009607194 569552012 /nfs/dbraw/zinc/55/20/12/569552012.db2.gz XXIMKIKOSXNPJL-SANMLTNESA-N 1 1 443.547 4.600 50 0 IJAAMO COc1ccc(C(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c2ccc(OC)cc2)cc1 ZINC000009713061 569562445 /nfs/dbraw/zinc/56/24/45/569562445.db2.gz MPVATQRJFDVSDM-QFIPXVFZSA-N 1 1 436.577 4.808 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000009848248 569571218 /nfs/dbraw/zinc/57/12/18/569571218.db2.gz NKUCLNGBBXFSEY-OAQYLSRUSA-N 1 1 442.673 4.900 50 0 IJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)c1 ZINC000002974840 132259943 /nfs/dbraw/zinc/25/99/43/132259943.db2.gz PHJJQKICUROBDF-UHFFFAOYSA-N 1 1 426.520 4.739 50 0 IJAAMO Cc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000008433025 132281696 /nfs/dbraw/zinc/28/16/96/132281696.db2.gz SGYWURKPPHQJNF-UHFFFAOYSA-N 1 1 444.560 4.718 50 0 IJAAMO 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CC[N@H+]1CCc2c(c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)nn2-c2ccccc2)C1 ZINC000034762419 521723694 /nfs/dbraw/zinc/72/36/94/521723694.db2.gz XAEUHZVJDPUXFZ-UHFFFAOYSA-N 1 1 448.586 4.617 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043127 523048062 /nfs/dbraw/zinc/04/80/62/523048062.db2.gz CNCJYVAOFAFYFB-HRFSGMKKSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043127 523048073 /nfs/dbraw/zinc/04/80/73/523048073.db2.gz CNCJYVAOFAFYFB-HRFSGMKKSA-N 1 1 444.575 4.930 50 0 IJAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012613047 523730949 /nfs/dbraw/zinc/73/09/49/523730949.db2.gz NRBCHFHGWACYAH-JOCHJYFZSA-N 1 1 442.603 4.808 50 0 in-vitro IJAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000021794319 523752668 /nfs/dbraw/zinc/75/26/68/523752668.db2.gz VRBAXMNNBUPTNS-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO 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/nfs/dbraw/zinc/22/22/18/524222218.db2.gz IOEPGCUEENTLHJ-GOSISDBHSA-N 1 1 443.975 4.938 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012433842 524222829 /nfs/dbraw/zinc/22/28/29/524222829.db2.gz XGMVDWPIMWACKL-INIZCTEOSA-N 1 1 426.948 4.856 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012433842 524222834 /nfs/dbraw/zinc/22/28/34/524222834.db2.gz XGMVDWPIMWACKL-INIZCTEOSA-N 1 1 426.948 4.856 50 0 IJAAMO Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)cc2)ccc1Cl ZINC000022792631 525246080 /nfs/dbraw/zinc/24/60/80/525246080.db2.gz VUEVXFVJSTUPNR-UHFFFAOYSA-N 1 1 434.971 4.614 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)C1 ZINC000020728601 525384179 /nfs/dbraw/zinc/38/41/79/525384179.db2.gz HJUQIOHAAMIFHH-MWYJXPIBSA-N 1 1 449.620 4.870 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000012567214 525405141 /nfs/dbraw/zinc/40/51/41/525405141.db2.gz 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4.551 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022765997 526953055 /nfs/dbraw/zinc/95/30/55/526953055.db2.gz NZJYXQZZYDIYMA-JOCHJYFZSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022765997 526953061 /nfs/dbraw/zinc/95/30/61/526953061.db2.gz NZJYXQZZYDIYMA-JOCHJYFZSA-N 1 1 426.969 4.696 50 0 IJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000021795605 527003568 /nfs/dbraw/zinc/00/35/68/527003568.db2.gz SKUOTVPMPJYMCZ-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002287976 555765551 /nfs/dbraw/zinc/76/55/51/555765551.db2.gz SQNXUTNQYVHCST-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1ccccc1F ZINC000034681721 555815257 /nfs/dbraw/zinc/81/52/57/555815257.db2.gz CKJUJJNYUNEUNP-UHFFFAOYSA-N 1 1 438.934 4.839 50 0 IJAAMO CC(C)(C)NC(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000034682092 555816006 /nfs/dbraw/zinc/81/60/06/555816006.db2.gz VHDNUNPIOKSHML-UHFFFAOYSA-N 1 1 449.521 4.733 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000002916808 555862869 /nfs/dbraw/zinc/86/28/69/555862869.db2.gz QIXOQKNKXURJFO-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO CN(Cc1nn(-c2cccc(F)c2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)C(C)(C)C ZINC000034762102 555904359 /nfs/dbraw/zinc/90/43/59/555904359.db2.gz ANECORBZVKAXTN-UHFFFAOYSA-N 1 1 434.559 4.574 50 0 IJAAMO CN(Cc1nn(-c2cccc(F)c2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)C(C)(C)C ZINC000034762102 555904363 /nfs/dbraw/zinc/90/43/63/555904363.db2.gz ANECORBZVKAXTN-UHFFFAOYSA-N 1 1 434.559 4.574 50 0 IJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+]5C[C@H](C)C[C@H](C)C5)C4=O)cc3)sc2c1 ZINC000008414543 556167444 /nfs/dbraw/zinc/16/74/44/556167444.db2.gz LIRLVWHOPDYVRL-LLGFUMIMSA-N 1 1 433.577 4.882 50 0 IJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000013811566 556312491 /nfs/dbraw/zinc/31/24/91/556312491.db2.gz JSWPRIAHPPABAV-ZCYQVOJMSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000011661363 556343114 /nfs/dbraw/zinc/34/31/14/556343114.db2.gz SCMNDEDDFHWURP-UHFFFAOYSA-N 1 1 430.961 4.696 50 0 IJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840880 556365175 /nfs/dbraw/zinc/36/51/75/556365175.db2.gz PGRPDNSNTAKYPH-OAQYLSRUSA-N 1 1 449.547 4.969 50 0 IJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840880 556365178 /nfs/dbraw/zinc/36/51/78/556365178.db2.gz PGRPDNSNTAKYPH-OAQYLSRUSA-N 1 1 449.547 4.969 50 0 IJAAMO CCC(CC)C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011881404 556373297 /nfs/dbraw/zinc/37/32/97/556373297.db2.gz XZVRFPMYPWSWQQ-HSZRJFAPSA-N 1 1 439.648 4.706 50 0 IJAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014125900 556373482 /nfs/dbraw/zinc/37/34/82/556373482.db2.gz MMRVAUOPWCSLIK-JOCHJYFZSA-N 1 1 442.588 4.664 50 0 IJAAMO COc1cccc(CC(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011937513 556379499 /nfs/dbraw/zinc/37/94/99/556379499.db2.gz NHSRAIHUOTVPGB-XMMPIXPASA-N 1 1 435.612 4.706 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)c(OC)c1 ZINC000014953206 556461247 /nfs/dbraw/zinc/46/12/47/556461247.db2.gz HGLSOFARWCVSKR-LJQANCHMSA-N 1 1 442.625 4.734 50 0 IJAAMO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000015003932 556480891 /nfs/dbraw/zinc/48/08/91/556480891.db2.gz IJQIGFDPFMQBDC-RUZDIDTESA-N 1 1 445.588 4.832 50 0 IJAAMO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000015003932 556480897 /nfs/dbraw/zinc/48/08/97/556480897.db2.gz IJQIGFDPFMQBDC-RUZDIDTESA-N 1 1 445.588 4.832 50 0 IJAAMO O=C(c1ccc[nH]c1=S)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180806 556491394 /nfs/dbraw/zinc/49/13/94/556491394.db2.gz BJUPRABMMXFOEG-UHFFFAOYSA-N 1 1 429.998 4.710 50 0 IJAAMO COc1ccc([C@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc2)cc1 ZINC000032718925 556518354 /nfs/dbraw/zinc/51/83/54/556518354.db2.gz STMQRPQNWDCDIG-HSZRJFAPSA-N 1 1 431.561 4.751 50 0 IJAAMO Cc1cc(N2CCC([N@@H+](C)Cc3csc(-c4ccccc4Cl)n3)CC2)nc(C)n1 ZINC000072308285 556565914 /nfs/dbraw/zinc/56/59/14/556565914.db2.gz WSVKFCNPCWHLFT-UHFFFAOYSA-N 1 1 428.005 4.971 50 0 IJAAMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)cs2)c1C ZINC000072309047 556568790 /nfs/dbraw/zinc/56/87/90/556568790.db2.gz UFVMGUMUFSYQGF-UHFFFAOYSA-N 1 1 440.588 4.995 50 0 IJAAMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](Cc3ccc(F)cc3)C3CCCCC3)cs2)c1C ZINC000072309047 556568792 /nfs/dbraw/zinc/56/87/92/556568792.db2.gz UFVMGUMUFSYQGF-UHFFFAOYSA-N 1 1 440.588 4.995 50 0 IJAAMO CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000016193247 556589018 /nfs/dbraw/zinc/58/90/18/556589018.db2.gz MKVGNWWKDKNZET-MRXNPFEDSA-N 1 1 441.597 4.558 50 0 IJAAMO CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000016193247 556589021 /nfs/dbraw/zinc/58/90/21/556589021.db2.gz MKVGNWWKDKNZET-MRXNPFEDSA-N 1 1 441.597 4.558 50 0 IJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1cn(C(C)C)c2ccccc12 ZINC000409414911 556641400 /nfs/dbraw/zinc/64/14/00/556641400.db2.gz YSOQBNXJYZKENI-XUZZJYLKSA-N 1 1 425.617 4.504 50 0 biogenic IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000055073774 556733971 /nfs/dbraw/zinc/73/39/71/556733971.db2.gz ZUHDYWSQTJMHTL-HXUWFJFHSA-N 1 1 448.592 4.725 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000055073774 556733973 /nfs/dbraw/zinc/73/39/73/556733973.db2.gz ZUHDYWSQTJMHTL-HXUWFJFHSA-N 1 1 448.592 4.725 50 0 IJAAMO Cc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c(O)c1C ZINC000019312706 556735717 /nfs/dbraw/zinc/73/57/17/556735717.db2.gz BGCXEYXYDDJRMD-AREMUKBSSA-N 1 1 428.576 4.875 50 0 IJAAMO Cc1cccn2c(C[N@H+](C)Cc3ccc(F)cc3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055270275 556739332 /nfs/dbraw/zinc/73/93/32/556739332.db2.gz CIWVFBDESRGCPA-UHFFFAOYSA-N 1 1 444.554 4.729 50 0 IJAAMO Cc1cccn2c(C[N@@H+](C)Cc3ccc(F)cc3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055270275 556739336 /nfs/dbraw/zinc/73/93/36/556739336.db2.gz CIWVFBDESRGCPA-UHFFFAOYSA-N 1 1 444.554 4.729 50 0 IJAAMO c1cnc(Oc2ccc(C[N@H+](Cc3cccnc3)Cc3ccc4c(c3)OCO4)cc2)nc1 ZINC000055393364 556741204 /nfs/dbraw/zinc/74/12/04/556741204.db2.gz XXOLSOWTYYTEHK-UHFFFAOYSA-N 1 1 426.476 4.595 50 0 IJAAMO c1cnc(Oc2ccc(C[N@@H+](Cc3cccnc3)Cc3ccc4c(c3)OCO4)cc2)nc1 ZINC000055393364 556741206 /nfs/dbraw/zinc/74/12/06/556741206.db2.gz XXOLSOWTYYTEHK-UHFFFAOYSA-N 1 1 426.476 4.595 50 0 IJAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000058157848 556763196 /nfs/dbraw/zinc/76/31/96/556763196.db2.gz PZQCZZHLVAWCNN-DEOSSOPVSA-N 1 1 433.939 4.550 50 0 IJAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 ZINC000058966074 556793373 /nfs/dbraw/zinc/79/33/73/556793373.db2.gz OLIFPRNXNHWXCT-OAHLLOKOSA-N 1 1 442.913 4.786 50 0 IJAAMO C/C(=C/C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072071137 556799255 /nfs/dbraw/zinc/79/92/55/556799255.db2.gz ROUHHTJHRGVCJL-SQFISAMPSA-N 1 1 432.490 4.643 50 0 IJAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCC[NH+]1CCOCC1 ZINC000021797976 556815599 /nfs/dbraw/zinc/81/55/99/556815599.db2.gz NAEZRYZNJCCLFW-UHFFFAOYSA-N 1 1 427.552 4.530 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000065361941 556834086 /nfs/dbraw/zinc/83/40/86/556834086.db2.gz JRTBZQQTFNCYPU-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000033068935 556836464 /nfs/dbraw/zinc/83/64/64/556836464.db2.gz GRCMJHAHYALSKR-UHFFFAOYSA-N 1 1 445.588 4.846 50 0 IJAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000033068935 556836468 /nfs/dbraw/zinc/83/64/68/556836468.db2.gz GRCMJHAHYALSKR-UHFFFAOYSA-N 1 1 445.588 4.846 50 0 IJAAMO COc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020426399 557015410 /nfs/dbraw/zinc/01/54/10/557015410.db2.gz ZPSQODAXQFLLRQ-UHFFFAOYSA-N 1 1 444.575 4.570 50 0 IJAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCc1c[nH]c2ccccc12 ZINC000023128703 557016114 /nfs/dbraw/zinc/01/61/14/557016114.db2.gz TWWMFMKWFYNMCT-HHHXNRCGSA-N 1 1 439.559 4.853 50 0 IJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032346 557024827 /nfs/dbraw/zinc/02/48/27/557024827.db2.gz DCCJPKQMXSCDPR-UHFFFAOYSA-N 1 1 432.593 4.959 50 0 IJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032346 557024829 /nfs/dbraw/zinc/02/48/29/557024829.db2.gz DCCJPKQMXSCDPR-UHFFFAOYSA-N 1 1 432.593 4.959 50 0 IJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023245113 557077675 /nfs/dbraw/zinc/07/76/75/557077675.db2.gz PVFHWMSYYDBMTB-MRXNPFEDSA-N 1 1 437.367 4.504 50 0 IJAAMO COc1ccc(C[C@H]([NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049581000 557116261 /nfs/dbraw/zinc/11/62/61/557116261.db2.gz HQPHILDAFOYDLI-QHCPKHFHSA-N 1 1 449.938 4.667 50 0 IJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023248945 557133646 /nfs/dbraw/zinc/13/36/46/557133646.db2.gz VMGBRJDZFDMXIA-QFIPXVFZSA-N 1 1 445.563 4.503 50 0 IJAAMO COc1cccc(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984893 557186158 /nfs/dbraw/zinc/18/61/58/557186158.db2.gz NAVMWSPOZJOVBZ-KBMIEXCESA-N 1 1 426.520 4.912 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cc3)[nH]n2)c1 ZINC000023316921 557215270 /nfs/dbraw/zinc/21/52/70/557215270.db2.gz QRKKDVNMATXQSF-IBGZPJMESA-N 1 1 432.568 4.747 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3)n[nH]2)c1 ZINC000023316921 557215277 /nfs/dbraw/zinc/21/52/77/557215277.db2.gz QRKKDVNMATXQSF-IBGZPJMESA-N 1 1 432.568 4.747 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cc3)n[nH]2)c1 ZINC000023316921 557215283 /nfs/dbraw/zinc/21/52/83/557215283.db2.gz QRKKDVNMATXQSF-IBGZPJMESA-N 1 1 432.568 4.747 50 0 IJAAMO O=C(NC1CC1)[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000084544628 557309907 /nfs/dbraw/zinc/30/99/07/557309907.db2.gz POCANYUJMUGOJT-HHHXNRCGSA-N 1 1 436.559 4.708 50 0 IJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1 ZINC000023328842 557338425 /nfs/dbraw/zinc/33/84/25/557338425.db2.gz PJJLVSBYBJFQTN-VWLOTQADSA-N 1 1 430.596 4.573 50 0 IJAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023329025 557338719 /nfs/dbraw/zinc/33/87/19/557338719.db2.gz OBVCUZXNLHLWKZ-UHFFFAOYSA-N 1 1 429.351 4.828 50 0 IJAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023329025 557338723 /nfs/dbraw/zinc/33/87/23/557338723.db2.gz OBVCUZXNLHLWKZ-UHFFFAOYSA-N 1 1 429.351 4.828 50 0 IJAAMO COc1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000023332764 557346117 /nfs/dbraw/zinc/34/61/17/557346117.db2.gz KFPVBNMIVMAEDZ-SANMLTNESA-N 1 1 430.548 4.560 50 0 IJAAMO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CC1 ZINC000023333593 557347362 /nfs/dbraw/zinc/34/73/62/557347362.db2.gz KTWPLGYWHPHESW-UHFFFAOYSA-N 1 1 442.485 4.930 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492443 557543048 /nfs/dbraw/zinc/54/30/48/557543048.db2.gz YVPCDJJNWZBXTP-NHCUHLMSSA-N 1 1 432.927 4.783 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492443 557543051 /nfs/dbraw/zinc/54/30/51/557543051.db2.gz YVPCDJJNWZBXTP-NHCUHLMSSA-N 1 1 432.927 4.783 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492446 557543090 /nfs/dbraw/zinc/54/30/90/557543090.db2.gz YVPCDJJNWZBXTP-LEWJYISDSA-N 1 1 432.927 4.783 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492446 557543093 /nfs/dbraw/zinc/54/30/93/557543093.db2.gz YVPCDJJNWZBXTP-LEWJYISDSA-N 1 1 432.927 4.783 50 0 IJAAMO CC[C@@H]1CN(C(=O)Nc2cccc(C3SCCS3)c2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000225523365 557735584 /nfs/dbraw/zinc/73/55/84/557735584.db2.gz IPFMQASEJXGUGJ-MOPGFXCFSA-N 1 1 437.675 4.643 50 0 IJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843533 557811287 /nfs/dbraw/zinc/81/12/87/557811287.db2.gz VZADEPCNSULOFT-LOSJGSFVSA-N 1 1 438.487 4.508 50 0 IJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000002348226 562927079 /nfs/dbraw/zinc/92/70/79/562927079.db2.gz NREFQBVXBYJUDS-HSZRJFAPSA-N 1 1 428.561 4.593 50 0 IJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000002348226 562927080 /nfs/dbraw/zinc/92/70/80/562927080.db2.gz NREFQBVXBYJUDS-HSZRJFAPSA-N 1 1 428.561 4.593 50 0 IJAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012438697 562982144 /nfs/dbraw/zinc/98/21/44/562982144.db2.gz BCYNSARSDGREIL-JOCHJYFZSA-N 1 1 427.552 4.902 50 0 IJAAMO Cc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCc2cccnc2)c(C)c1 ZINC000299787344 568757563 /nfs/dbraw/zinc/75/75/63/568757563.db2.gz WBIWGUBGCRKBBP-RPBOFIJWSA-N 1 1 449.595 4.889 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 ZINC000084692305 568799929 /nfs/dbraw/zinc/79/99/29/568799929.db2.gz BAOBRBGIULZCKK-LJQANCHMSA-N 1 1 428.536 4.961 50 0 IJAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740717 568824494 /nfs/dbraw/zinc/82/44/94/568824494.db2.gz GDEWFQHOPYSYGR-FYYLOGMGSA-N 1 1 440.559 4.663 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000015825014 568840613 /nfs/dbraw/zinc/84/06/13/568840613.db2.gz JQGWNJHLTNJQFO-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO CSc1ccc(C[N@H+](C)CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378512 568886233 /nfs/dbraw/zinc/88/62/33/568886233.db2.gz DKWKHBRFMMYLFT-DEOSSOPVSA-N 1 1 428.598 4.515 50 0 IJAAMO CSc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378512 568886235 /nfs/dbraw/zinc/88/62/35/568886235.db2.gz DKWKHBRFMMYLFT-DEOSSOPVSA-N 1 1 428.598 4.515 50 0 IJAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)s1 ZINC000036101361 568952462 /nfs/dbraw/zinc/95/24/62/568952462.db2.gz OAGUIYUCSFWQTF-FQEVSTJZSA-N 1 1 425.550 4.536 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000169680347 568990741 /nfs/dbraw/zinc/99/07/41/568990741.db2.gz UZXREUAOSIIJIU-PGRDOPGGSA-N 1 1 441.547 4.720 50 0 IJAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313644 568998751 /nfs/dbraw/zinc/99/87/51/568998751.db2.gz GWOXUSQXRQCJML-QFIPXVFZSA-N 1 1 437.584 4.879 50 0 IJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821457 569077946 /nfs/dbraw/zinc/07/79/46/569077946.db2.gz QLLFPYXBZDQMDU-VQTJNVASSA-N 1 1 428.646 4.510 50 0 IJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000065322218 569136645 /nfs/dbraw/zinc/13/66/45/569136645.db2.gz RCZJTNHNDKNUQG-UHFFFAOYSA-N 1 1 436.556 4.702 50 0 IJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000170613664 569146145 /nfs/dbraw/zinc/14/61/45/569146145.db2.gz LZZAOCRBQCFRGS-UUOWRZLLSA-N 1 1 449.982 4.638 50 0 IJAAMO CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000170616031 569146833 /nfs/dbraw/zinc/14/68/33/569146833.db2.gz JJWTUOISFYSGBI-INIZCTEOSA-N 1 1 442.951 4.504 50 0 IJAAMO CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000170616031 569146835 /nfs/dbraw/zinc/14/68/35/569146835.db2.gz JJWTUOISFYSGBI-INIZCTEOSA-N 1 1 442.951 4.504 50 0 IJAAMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(Cc4cc5ccccc5o4)CC3)CC2)n1 ZINC000252497574 569188007 /nfs/dbraw/zinc/18/80/07/569188007.db2.gz QKJOSWYTZHJPNG-UHFFFAOYSA-N 1 1 444.501 4.633 50 0 IJAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380198 569191590 /nfs/dbraw/zinc/19/15/90/569191590.db2.gz ZGWPGVGYGWPFJY-NRFANRHFSA-N 1 1 443.513 4.883 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664632 569197195 /nfs/dbraw/zinc/19/71/95/569197195.db2.gz MNWKOVXZYAPSDN-NBGIEHNGSA-N 1 1 425.536 4.915 50 0 IJAAMO CC[NH+](CC)c1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 ZINC000002255090 569216845 /nfs/dbraw/zinc/21/68/45/569216845.db2.gz KXRMERNXISMYBO-UHFFFAOYSA-N 1 1 442.567 4.675 50 0 IJAAMO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000019880262 569331631 /nfs/dbraw/zinc/33/16/31/569331631.db2.gz VNRUTIFIWNEGGV-DEOSSOPVSA-N 1 1 449.620 4.963 50 0 IJAAMO O=C(c1cccs1)N1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000095454776 569368369 /nfs/dbraw/zinc/36/83/69/569368369.db2.gz UWFLDDNXEFLKME-UHFFFAOYSA-N 1 1 432.014 4.890 50 0 IJAAMO O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685847 569407176 /nfs/dbraw/zinc/40/71/76/569407176.db2.gz NGZKVYPFHCITHB-IBGZPJMESA-N 1 1 436.905 4.951 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000002915170 569425080 /nfs/dbraw/zinc/42/50/80/569425080.db2.gz IZONCLVGACSPIE-DQEYMECFSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccc2c(c1)O[C@@H](c1ccc(F)cc1)C1=C2[NH+]=C2N=CNN2[C@@H]1c1ccc(F)cc1 ZINC000002917983 569425293 /nfs/dbraw/zinc/42/52/93/569425293.db2.gz MJFAIUOQTASUMN-RPWUZVMVSA-N 1 1 444.441 4.778 50 0 IJAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000230099556 569436283 /nfs/dbraw/zinc/43/62/83/569436283.db2.gz JGGBCVUNYOKBQR-XOBRGWDASA-N 1 1 445.441 4.732 50 0 IJAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000230099556 569436284 /nfs/dbraw/zinc/43/62/84/569436284.db2.gz JGGBCVUNYOKBQR-XOBRGWDASA-N 1 1 445.441 4.732 50 0 IJAAMO C[NH+]1CCN([C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546523 569463544 /nfs/dbraw/zinc/46/35/44/569463544.db2.gz DSRUDKFEAQSZAE-NRFANRHFSA-N 1 1 441.622 4.871 50 0 IJAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3nc(N4CCCCC4)ncc3Cl)cc2)C1 ZINC000040145530 569492129 /nfs/dbraw/zinc/49/21/29/569492129.db2.gz HLHNBRYOXFSKLM-KRWDZBQOSA-N 1 1 427.980 4.605 50 0 IJAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000009071647 569500139 /nfs/dbraw/zinc/50/01/39/569500139.db2.gz UJUSMSUGTKSVFR-UHFFFAOYSA-N 1 1 433.474 4.611 50 0 IJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccco1 ZINC000009227565 569513452 /nfs/dbraw/zinc/51/34/52/569513452.db2.gz FFDIOIRTINAYFH-LJQANCHMSA-N 1 1 438.572 4.673 50 0 IJAAMO Fc1cc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)ccc1Cl ZINC000009293550 569520211 /nfs/dbraw/zinc/52/02/11/569520211.db2.gz WQFFPBVYTVNRFG-FCHUYYIVSA-N 1 1 431.858 4.678 50 0 IJAAMO CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009309602 569521647 /nfs/dbraw/zinc/52/16/47/569521647.db2.gz ZPNSOLOXSDYRGJ-DNQXCXABSA-N 1 1 439.544 4.916 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128697 569578010 /nfs/dbraw/zinc/57/80/10/569578010.db2.gz DCMKUKOOWBVXTO-GJZUVCINSA-N 1 1 438.568 4.507 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128697 569578011 /nfs/dbraw/zinc/57/80/11/569578011.db2.gz DCMKUKOOWBVXTO-GJZUVCINSA-N 1 1 438.568 4.507 50 0 IJAAMO COc1cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c(OC)cc1Cl ZINC000010225435 569579300 /nfs/dbraw/zinc/57/93/00/569579300.db2.gz BSHIBBJBIXNULB-UHFFFAOYSA-N 1 1 427.932 4.657 50 0 IJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)cc1F ZINC000012112221 521264605 /nfs/dbraw/zinc/26/46/05/521264605.db2.gz NSWVICMGUVEEBN-IBGZPJMESA-N 1 1 432.967 4.905 50 0 IJAAMO CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccc(C)cc32)C1 ZINC000021158440 521303124 /nfs/dbraw/zinc/30/31/24/521303124.db2.gz ZKXMYMLHTAFDLN-FQEVSTJZSA-N 1 1 446.547 4.952 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000020542620 521394494 /nfs/dbraw/zinc/39/44/94/521394494.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 1 1 426.605 4.850 50 0 IJAAMO CCN(Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020542620 521394561 /nfs/dbraw/zinc/39/45/61/521394561.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 1 1 426.605 4.850 50 0 IJAAMO CCN(Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020542620 521394568 /nfs/dbraw/zinc/39/45/68/521394568.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 1 1 426.605 4.850 50 0 IJAAMO C[NH+](C)[C@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000022381550 522071732 /nfs/dbraw/zinc/07/17/32/522071732.db2.gz QNSAXLFDWOWIKI-OAQYLSRUSA-N 1 1 429.520 4.953 50 0 IJAAMO CC[C@@H](C)[N@@H+](CCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)Cc1cccs1 ZINC000020580785 522089213 /nfs/dbraw/zinc/08/92/13/522089213.db2.gz JFHCYSKFEBTYRZ-GOSISDBHSA-N 1 1 447.626 4.599 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153417 523018827 /nfs/dbraw/zinc/01/88/27/523018827.db2.gz SDQJKJZBECKBNQ-HNNXBMFYSA-N 1 1 446.617 4.847 50 0 IJAAMO CC[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868672 523531435 /nfs/dbraw/zinc/53/14/35/523531435.db2.gz ISPPOPNUNDOMIR-SFTDATJTSA-N 1 1 438.793 4.816 50 0 IJAAMO CCc1ccc(N(C(C)=O)c2nc(CN3CC[NH+](Cc4cccs4)CC3)cs2)cc1 ZINC000022914233 523957200 /nfs/dbraw/zinc/95/72/00/523957200.db2.gz GLJKGWZSJFISIT-UHFFFAOYSA-N 1 1 440.638 4.769 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1Cl ZINC000012301559 524482938 /nfs/dbraw/zinc/48/29/38/524482938.db2.gz OBTJWNHGPWGKLB-HNNXBMFYSA-N 1 1 428.920 4.516 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1Cl ZINC000012301561 524484079 /nfs/dbraw/zinc/48/40/79/524484079.db2.gz OBTJWNHGPWGKLB-OAHLLOKOSA-N 1 1 428.920 4.516 50 0 IJAAMO Cc1cccc(Cn2c3cc(C)ccc3cc(C[N@@H+](C)C[C@H](O)c3ccccc3)c2=O)c1 ZINC000012455602 524492716 /nfs/dbraw/zinc/49/27/16/524492716.db2.gz MQYRDESLVXFDJK-MHZLTWQESA-N 1 1 426.560 4.832 50 0 IJAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020538720 524562244 /nfs/dbraw/zinc/56/22/44/524562244.db2.gz XSFSFULODWJHPX-NRFANRHFSA-N 1 1 433.518 4.501 50 0 IJAAMO COc1ccccc1[C@@H](CNC(=O)c1sc(-c2cccs2)nc1C)[NH+]1CCCC1 ZINC000022680215 524733159 /nfs/dbraw/zinc/73/31/59/524733159.db2.gz AXOGLHAFGBGIPW-QGZVFWFLSA-N 1 1 427.595 4.756 50 0 IJAAMO COc1ccccc1[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[NH+](C)C ZINC000012754356 524792890 /nfs/dbraw/zinc/79/28/90/524792890.db2.gz AMQYCHAFGIEYBO-NRFANRHFSA-N 1 1 446.576 4.642 50 0 IJAAMO COc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000012819685 525186764 /nfs/dbraw/zinc/18/67/64/525186764.db2.gz LJNVGWXXZMZXDQ-JOCHJYFZSA-N 1 1 434.561 4.555 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021795304 525322968 /nfs/dbraw/zinc/32/29/68/525322968.db2.gz ICECCWVDKDLYBV-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCC2)o1 ZINC000021659771 525761491 /nfs/dbraw/zinc/76/14/91/525761491.db2.gz DMMUSRUTVBYERN-QGZVFWFLSA-N 1 1 431.330 4.972 50 0 IJAAMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012771396 526287722 /nfs/dbraw/zinc/28/77/22/526287722.db2.gz ICEBFHLIAHJSLW-MAUKXSAKSA-N 1 1 433.371 4.636 50 0 IJAAMO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000012776562 526297168 /nfs/dbraw/zinc/29/71/68/526297168.db2.gz YVNFPQMYJBCDPQ-GOSISDBHSA-N 1 1 442.972 4.734 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1)NCc1ccccc1Cl ZINC000012456385 526570116 /nfs/dbraw/zinc/57/01/16/526570116.db2.gz OTQMNUMGWGVYEP-HXUWFJFHSA-N 1 1 436.987 4.834 50 0 IJAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907893 526581702 /nfs/dbraw/zinc/58/17/02/526581702.db2.gz OEYUHZQHWNPSJJ-MRXNPFEDSA-N 1 1 431.355 4.633 50 0 IJAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907893 526581706 /nfs/dbraw/zinc/58/17/06/526581706.db2.gz OEYUHZQHWNPSJJ-MRXNPFEDSA-N 1 1 431.355 4.633 50 0 IJAAMO O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869950 526735871 /nfs/dbraw/zinc/73/58/71/526735871.db2.gz XGUUEOUGZUVNIB-AOYPEHQESA-N 1 1 445.994 4.520 50 0 IJAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012680550 527202202 /nfs/dbraw/zinc/20/22/02/527202202.db2.gz NWWFEAQIIXZYHW-XMMPIXPASA-N 1 1 431.511 4.856 50 0 IJAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613169 527600391 /nfs/dbraw/zinc/60/03/91/527600391.db2.gz CLZYVPWFMUHSAU-OAQYLSRUSA-N 1 1 440.440 4.867 50 0 IJAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613169 527600395 /nfs/dbraw/zinc/60/03/95/527600395.db2.gz CLZYVPWFMUHSAU-OAQYLSRUSA-N 1 1 440.440 4.867 50 0 IJAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000009531214 535779423 /nfs/dbraw/zinc/77/94/23/535779423.db2.gz UGMIYAUAZXWYQY-UHFFFAOYSA-N 1 1 441.535 4.674 50 0 IJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccc(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000000635914 555516729 /nfs/dbraw/zinc/51/67/29/555516729.db2.gz FPQUAGOGEBQRCM-DQEYMECFSA-N 1 1 438.487 4.508 50 0 IJAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccccc1 ZINC000034681887 555815639 /nfs/dbraw/zinc/81/56/39/555815639.db2.gz KIMAICGGJIIGGE-VWLOTQADSA-N 1 1 428.580 4.926 50 0 IJAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)s2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740530 555883681 /nfs/dbraw/zinc/88/36/81/555883681.db2.gz FREXFTFKRLNKLL-OFNKIYASSA-N 1 1 432.605 4.542 50 0 IJAAMO CC[N@@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000003831024 555946958 /nfs/dbraw/zinc/94/69/58/555946958.db2.gz VYVKHNNGDFVQGA-IBGZPJMESA-N 1 1 429.557 4.603 50 0 world IJAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000008606524 556191658 /nfs/dbraw/zinc/19/16/58/556191658.db2.gz WJUUHRHDGJFIEO-UHFFFAOYSA-N 1 1 427.346 4.574 50 0 IJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778760 556308237 /nfs/dbraw/zinc/30/82/37/556308237.db2.gz IHCWICSXMPBRIK-AGILITTLSA-N 1 1 428.960 4.655 50 0 IJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778760 556308242 /nfs/dbraw/zinc/30/82/42/556308242.db2.gz IHCWICSXMPBRIK-AGILITTLSA-N 1 1 428.960 4.655 50 0 IJAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000011753909 556348781 /nfs/dbraw/zinc/34/87/81/556348781.db2.gz IITJRPCJTUJGJX-UHFFFAOYSA-N 1 1 438.524 4.719 50 0 IJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)c(C)c1 ZINC000011842394 556365819 /nfs/dbraw/zinc/36/58/19/556365819.db2.gz DFZYRPKSKLZHHQ-LJQANCHMSA-N 1 1 431.536 4.605 50 0 IJAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3C)cc1)CC2)C(C)C ZINC000011999554 556385366 /nfs/dbraw/zinc/38/53/66/556385366.db2.gz MMPFGENWQWECRC-SANMLTNESA-N 1 1 445.611 4.535 50 0 IJAAMO CCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012054610 556393586 /nfs/dbraw/zinc/39/35/86/556393586.db2.gz FUAGNFNQZFYFBX-OAQYLSRUSA-N 1 1 430.552 4.565 50 0 IJAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014732475 556437175 /nfs/dbraw/zinc/43/71/75/556437175.db2.gz KXRBBJWUTZCUCN-LEWJYISDSA-N 1 1 448.529 4.995 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)c1cccc(Cl)c1 ZINC000014888945 556456232 /nfs/dbraw/zinc/45/62/32/556456232.db2.gz MPAYPGXJPHMNJK-UHFFFAOYSA-N 1 1 431.945 4.829 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000029145957 556468596 /nfs/dbraw/zinc/46/85/96/556468596.db2.gz SDTZYEQYPLXYEM-HSZRJFAPSA-N 1 1 439.987 4.663 50 0 IJAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C4CCCC4)s3)C2)cc1 ZINC000014976554 556469021 /nfs/dbraw/zinc/46/90/21/556469021.db2.gz WZSSGCJRLAAPMX-HXUWFJFHSA-N 1 1 426.626 4.985 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1Cl ZINC000015068147 556494253 /nfs/dbraw/zinc/49/42/53/556494253.db2.gz CCJSOQYVEJBOAV-GOSISDBHSA-N 1 1 443.975 4.938 50 0 IJAAMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955164 556517976 /nfs/dbraw/zinc/51/79/76/556517976.db2.gz OOMPZUHYNKAQKK-UHFFFAOYSA-N 1 1 431.323 4.894 50 0 IJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000015307372 556518355 /nfs/dbraw/zinc/51/83/55/556518355.db2.gz HBJSJJPYDZPGDI-NRFANRHFSA-N 1 1 449.576 4.597 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000013596339 556531955 /nfs/dbraw/zinc/53/19/55/556531955.db2.gz BQBHEZRIGXRIAU-ZFDYTMOGSA-N 1 1 428.523 4.795 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000013596343 556531966 /nfs/dbraw/zinc/53/19/66/556531966.db2.gz BQBHEZRIGXRIAU-WLMDGNKMSA-N 1 1 428.523 4.795 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860438 556558670 /nfs/dbraw/zinc/55/86/70/556558670.db2.gz YIZPSIAFIIQJCR-SFHVURJKSA-N 1 1 428.916 4.613 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308199 556564687 /nfs/dbraw/zinc/56/46/87/556564687.db2.gz QFHDBCCERPLQLG-DOTOQJQBSA-N 1 1 425.920 4.505 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308199 556564691 /nfs/dbraw/zinc/56/46/91/556564691.db2.gz QFHDBCCERPLQLG-DOTOQJQBSA-N 1 1 425.920 4.505 50 0 IJAAMO COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000015947313 556568080 /nfs/dbraw/zinc/56/80/80/556568080.db2.gz KSIHBDUIWAKGBP-NRFANRHFSA-N 1 1 433.533 4.522 50 0 IJAAMO COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000015947313 556568081 /nfs/dbraw/zinc/56/80/81/556568081.db2.gz KSIHBDUIWAKGBP-NRFANRHFSA-N 1 1 433.533 4.522 50 0 IJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005034067 556623268 /nfs/dbraw/zinc/62/32/68/556623268.db2.gz RYWPHYLRFHXNJI-IYBDPMFKSA-N 1 1 428.577 4.824 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000248154910 556669537 /nfs/dbraw/zinc/66/95/37/556669537.db2.gz YOEKBHBRPRHEBT-IZZNHLLZSA-N 1 1 432.589 4.972 50 0 IJAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000248154910 556669539 /nfs/dbraw/zinc/66/95/39/556669539.db2.gz YOEKBHBRPRHEBT-IZZNHLLZSA-N 1 1 432.589 4.972 50 0 IJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000033907964 556723390 /nfs/dbraw/zinc/72/33/90/556723390.db2.gz XQWITZSWWXOLEV-BUEREQSYSA-N 1 1 438.612 4.741 50 0 biogenic IJAAMO CCN(Cc1nc2ccccc2n1CC)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019300719 556735110 /nfs/dbraw/zinc/73/51/10/556735110.db2.gz FXDABLPJVQIRHV-HSZRJFAPSA-N 1 1 434.628 4.841 50 0 IJAAMO Cc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c(O)c1C ZINC000019312703 556735597 /nfs/dbraw/zinc/73/55/97/556735597.db2.gz BGCXEYXYDDJRMD-SANMLTNESA-N 1 1 428.576 4.875 50 0 IJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C3)n1 ZINC000055182937 556737241 /nfs/dbraw/zinc/73/72/41/556737241.db2.gz BGJACYSZQUKABH-UHFFFAOYSA-N 1 1 442.519 4.551 50 0 IJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C3)n1 ZINC000055182937 556737245 /nfs/dbraw/zinc/73/72/45/556737245.db2.gz BGJACYSZQUKABH-UHFFFAOYSA-N 1 1 442.519 4.551 50 0 IJAAMO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000057991204 556751007 /nfs/dbraw/zinc/75/10/07/556751007.db2.gz VUEALZBTHPZSIH-VQTJNVASSA-N 1 1 436.770 4.948 50 0 IJAAMO COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000058216499 556772524 /nfs/dbraw/zinc/77/25/24/556772524.db2.gz IHQKWWROJCGXAZ-OAQYLSRUSA-N 1 1 432.524 4.587 50 0 IJAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036392122 556906997 /nfs/dbraw/zinc/90/69/97/556906997.db2.gz FSUBNWJVMYDHSU-HXOBKFHXSA-N 1 1 427.591 4.790 50 0 IJAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036392122 556906998 /nfs/dbraw/zinc/90/69/98/556906998.db2.gz FSUBNWJVMYDHSU-HXOBKFHXSA-N 1 1 427.591 4.790 50 0 IJAAMO CCCCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270665 557048621 /nfs/dbraw/zinc/04/86/21/557048621.db2.gz WVXZBTWLHRKCQQ-UHFFFAOYSA-N 1 1 445.567 4.670 50 0 IJAAMO CCCOc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023055100 557060482 /nfs/dbraw/zinc/06/04/82/557060482.db2.gz HJWCJRKZVGJOEC-UHFFFAOYSA-N 1 1 449.517 4.641 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCCCCCC1 ZINC000023340172 557086031 /nfs/dbraw/zinc/08/60/31/557086031.db2.gz YQBUVQXLLUXCKT-IBGZPJMESA-N 1 1 440.588 4.931 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908669 557125269 /nfs/dbraw/zinc/12/52/69/557125269.db2.gz FDTYEJBZWRNCFM-HHHXNRCGSA-N 1 1 443.591 4.605 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000023908669 557125274 /nfs/dbraw/zinc/12/52/74/557125274.db2.gz FDTYEJBZWRNCFM-HHHXNRCGSA-N 1 1 443.591 4.605 50 0 IJAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344520 557260616 /nfs/dbraw/zinc/26/06/16/557260616.db2.gz QOQUKCKXRAULSY-QFIPXVFZSA-N 1 1 440.950 4.849 50 0 IJAAMO COc1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000023332766 557346305 /nfs/dbraw/zinc/34/63/05/557346305.db2.gz KFPVBNMIVMAEDZ-AREMUKBSSA-N 1 1 430.548 4.560 50 0 IJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009645498 562974743 /nfs/dbraw/zinc/97/47/43/562974743.db2.gz UXYGMFTYLAESNQ-QAPCUYQASA-N 1 1 444.906 4.664 50 0 IJAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)CC2)c1 ZINC000023373429 568613704 /nfs/dbraw/zinc/61/37/04/568613704.db2.gz XANHXRFJLPMGSS-JOCHJYFZSA-N 1 1 442.529 4.973 50 0 IJAAMO CC(C)N(C)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000104999037 568623931 /nfs/dbraw/zinc/62/39/31/568623931.db2.gz BGMDQBIYLHDCQN-XMMPIXPASA-N 1 1 449.595 4.728 50 0 IJAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671334 568803059 /nfs/dbraw/zinc/80/30/59/568803059.db2.gz AXWYAYBJUVYXIG-UHFFFAOYSA-N 1 1 437.569 4.546 50 0 IJAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000001448833 568817509 /nfs/dbraw/zinc/81/75/09/568817509.db2.gz AOLKQLDKORQQFW-JOCHJYFZSA-N 1 1 439.581 4.556 50 0 IJAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740716 568824595 /nfs/dbraw/zinc/82/45/95/568824595.db2.gz GDEWFQHOPYSYGR-JTHBVZDNSA-N 1 1 440.559 4.663 50 0 IJAAMO Cc1cccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)c1 ZINC000016041361 568868217 /nfs/dbraw/zinc/86/82/17/568868217.db2.gz CLNSIKDNQYFEGP-ZIFCJYIRSA-N 1 1 433.807 4.702 50 0 IJAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036146059 568962167 /nfs/dbraw/zinc/96/21/67/568962167.db2.gz DONDXBBHMBSSHU-ZEQRLZLVSA-N 1 1 445.003 4.677 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146355 568962501 /nfs/dbraw/zinc/96/25/01/568962501.db2.gz MQIMXLXJMULQLV-SFTDATJTSA-N 1 1 448.966 4.508 50 0 IJAAMO CC[C@@H]1Cn2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc3c2c(ccc3Cl)O1 ZINC000064816634 568964150 /nfs/dbraw/zinc/96/41/50/568964150.db2.gz RWFLADQTQFJCGS-LJQANCHMSA-N 1 1 437.971 4.644 50 0 IJAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@@H](O)COCC(C)C)C1 ZINC000169680039 568990543 /nfs/dbraw/zinc/99/05/43/568990543.db2.gz BLHKCWSTTRTLKE-PKTZIBPZSA-N 1 1 445.003 4.677 50 0 IJAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345184 569080703 /nfs/dbraw/zinc/08/07/03/569080703.db2.gz YBJRLEILFILBRT-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345184 569080704 /nfs/dbraw/zinc/08/07/04/569080704.db2.gz YBJRLEILFILBRT-RUZDIDTESA-N 1 1 431.511 4.644 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC ZINC000036346824 569081140 /nfs/dbraw/zinc/08/11/40/569081140.db2.gz UNRWHSBXEFTWLZ-UNMCSNQZSA-N 1 1 437.584 4.796 50 0 IJAAMO CCCCOc1ccc(NC(=O)N2CCC[N@H+](Cc3cnn(CCC)c3)CC2)c(C)c1 ZINC000089954815 569168822 /nfs/dbraw/zinc/16/88/22/569168822.db2.gz VIMKSYHSRCQCGM-UHFFFAOYSA-N 1 1 427.593 4.520 50 0 IJAAMO CCCCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3cnn(CCC)c3)CC2)c(C)c1 ZINC000089954815 569168823 /nfs/dbraw/zinc/16/88/23/569168823.db2.gz VIMKSYHSRCQCGM-UHFFFAOYSA-N 1 1 427.593 4.520 50 0 IJAAMO Cc1cccc(C(=O)N[C@@H](OC[C@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)c1 ZINC000002137275 569185022 /nfs/dbraw/zinc/18/50/22/569185022.db2.gz CLNSIKDNQYFEGP-LMMKCTJWSA-N 1 1 433.807 4.702 50 0 IJAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380247 569191565 /nfs/dbraw/zinc/19/15/65/569191565.db2.gz TXYYZBRQTGMOAK-FQEVSTJZSA-N 1 1 429.486 4.873 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[NH+]1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000253487150 569283033 /nfs/dbraw/zinc/28/30/33/569283033.db2.gz FUPHRLAFWMRUCX-BQJUDKOJSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCCN(CC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000253487150 569283036 /nfs/dbraw/zinc/28/30/36/569283036.db2.gz FUPHRLAFWMRUCX-BQJUDKOJSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000253487150 569283037 /nfs/dbraw/zinc/28/30/37/569283037.db2.gz FUPHRLAFWMRUCX-BQJUDKOJSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCN(C(=O)Cc1cccc2ccc(OC)cc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000097021226 569402825 /nfs/dbraw/zinc/40/28/25/569402825.db2.gz SYACMKSWQPDLHT-UHFFFAOYSA-N 1 1 446.595 4.705 50 0 IJAAMO COc1ccccc1[C@@H](CNC(=O)c1oc2ccc(Br)cc2c1C)[NH+](C)C ZINC000028232062 569409271 /nfs/dbraw/zinc/40/92/71/569409271.db2.gz IHRBJTQXHUFEDX-QGZVFWFLSA-N 1 1 431.330 4.545 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000002915258 569425093 /nfs/dbraw/zinc/42/50/93/569425093.db2.gz IAADRNHSNVRJAZ-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO Cn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c2ccccc21 ZINC000230278423 569440653 /nfs/dbraw/zinc/44/06/53/569440653.db2.gz BBBCUVRVWQGBDA-JEVGIUJPSA-N 1 1 431.624 4.923 50 0 biogenic IJAAMO CSc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000031039902 569452831 /nfs/dbraw/zinc/45/28/31/569452831.db2.gz OXRBQBCZALPBHE-UHFFFAOYSA-N 1 1 426.369 4.614 50 0 IJAAMO CSc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000031039902 569452832 /nfs/dbraw/zinc/45/28/32/569452832.db2.gz OXRBQBCZALPBHE-UHFFFAOYSA-N 1 1 426.369 4.614 50 0 IJAAMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008709263 569470742 /nfs/dbraw/zinc/47/07/42/569470742.db2.gz BTLKBKGWRFMFRF-SFHVURJKSA-N 1 1 448.592 4.631 50 0 IJAAMO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[N@@H+]4CCCC[C@H]4C)ccc3c2=O)c1 ZINC000245391995 569506186 /nfs/dbraw/zinc/50/61/86/569506186.db2.gz WGWDTMBBGUPPEA-UXHICEINSA-N 1 1 437.536 4.816 50 0 IJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCc3ccc(C[N@H+]4CCCC[C@H]4CC)o3)c21 ZINC000009227685 569513468 /nfs/dbraw/zinc/51/34/68/569513468.db2.gz SASGEVQRYCVHPA-QGZVFWFLSA-N 1 1 440.544 4.986 50 0 IJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300572 569520632 /nfs/dbraw/zinc/52/06/32/569520632.db2.gz JQXITLAJDKAKPG-GOSISDBHSA-N 1 1 433.455 4.869 50 0 IJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300572 569520633 /nfs/dbraw/zinc/52/06/33/569520633.db2.gz JQXITLAJDKAKPG-GOSISDBHSA-N 1 1 433.455 4.869 50 0 IJAAMO Cc1ccc(-c2nc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c3n2CCCCC3)cc1 ZINC000009406751 569530159 /nfs/dbraw/zinc/53/01/59/569530159.db2.gz OYCJMOFMXIRUPP-UHFFFAOYSA-N 1 1 442.607 4.763 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000009847950 569571158 /nfs/dbraw/zinc/57/11/58/569571158.db2.gz WSKQHJLJHUHLDN-HXUWFJFHSA-N 1 1 437.613 4.635 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC(=O)Nc3cccc(Cl)c3C)c2c1C ZINC000009873154 569572524 /nfs/dbraw/zinc/57/25/24/569572524.db2.gz ADRLHSZSSCHNDF-UHFFFAOYSA-N 1 1 444.004 4.916 50 0 IJAAMO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000035925694 519458864 /nfs/dbraw/zinc/45/88/64/519458864.db2.gz NRZUYHHQKIBPST-UHFFFAOYSA-N 1 1 440.595 4.726 50 0 IJAAMO CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000035999480 520255966 /nfs/dbraw/zinc/25/59/66/520255966.db2.gz AJVZIVMLCWYTSE-QFIPXVFZSA-N 1 1 436.983 4.532 50 0 IJAAMO CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000035999480 520255970 /nfs/dbraw/zinc/25/59/70/520255970.db2.gz AJVZIVMLCWYTSE-QFIPXVFZSA-N 1 1 436.983 4.532 50 0 IJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(C(=O)OC)cc2OC)n1 ZINC000012777758 520763550 /nfs/dbraw/zinc/76/35/50/520763550.db2.gz CDWNDGZKCLROSG-UHFFFAOYSA-N 1 1 429.542 4.737 50 0 IJAAMO CCOc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747428 520960719 /nfs/dbraw/zinc/96/07/19/520960719.db2.gz VMEDEOJSWKIIMZ-JOCHJYFZSA-N 1 1 431.020 4.618 50 0 IJAAMO CCOc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747428 520960723 /nfs/dbraw/zinc/96/07/23/520960723.db2.gz VMEDEOJSWKIIMZ-JOCHJYFZSA-N 1 1 431.020 4.618 50 0 IJAAMO CC[N@@H+](CCNC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2)Cc1ccccc1 ZINC000035534880 521075406 /nfs/dbraw/zinc/07/54/06/521075406.db2.gz CJNKUFIAXZCURU-UHFFFAOYSA-N 1 1 441.000 4.598 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC000012687252 521117583 /nfs/dbraw/zinc/11/75/83/521117583.db2.gz LFGKMSYHEGZBCU-IBGZPJMESA-N 1 1 431.536 4.969 50 0 IJAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC000012687252 521117594 /nfs/dbraw/zinc/11/75/94/521117594.db2.gz LFGKMSYHEGZBCU-IBGZPJMESA-N 1 1 431.536 4.969 50 0 IJAAMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000012780656 522120076 /nfs/dbraw/zinc/12/00/76/522120076.db2.gz YOOFNUVEJPCBQC-LJQANCHMSA-N 1 1 428.916 4.553 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000012303477 522655376 /nfs/dbraw/zinc/65/53/76/522655376.db2.gz MCAKUYFHWAWURY-LJQANCHMSA-N 1 1 433.552 4.883 50 0 IJAAMO CC[C@@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000036048493 522721596 /nfs/dbraw/zinc/72/15/96/522721596.db2.gz VIKOHIFJIYWWHY-RCZVLFRGSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1ccc(-c2noc(CN3CCC[C@]4(CCC[N@@H+](Cc5ccccc5)C4)C3)n2)cc1 ZINC000012072554 523287849 /nfs/dbraw/zinc/28/78/49/523287849.db2.gz IFUABTPDOPMCRN-SANMLTNESA-N 1 1 432.568 4.623 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822210 523837283 /nfs/dbraw/zinc/83/72/83/523837283.db2.gz QJRPQIFOPUODFD-AREMUKBSSA-N 1 1 429.564 4.501 50 0 IJAAMO COc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020988566 523977382 /nfs/dbraw/zinc/97/73/82/523977382.db2.gz YOTWSBOMHJGUKF-QHCPKHFHSA-N 1 1 433.483 4.815 50 0 IJAAMO COc1ccccc1-c1ncc(CN(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cn1 ZINC000020539543 524281517 /nfs/dbraw/zinc/28/15/17/524281517.db2.gz KQADWPUNAAJASL-DEOSSOPVSA-N 1 1 430.596 4.681 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c(C)c1 ZINC000012594909 524484477 /nfs/dbraw/zinc/48/44/77/524484477.db2.gz UOXYZIBJUYPVMC-SFHVURJKSA-N 1 1 427.614 4.970 50 0 IJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)C1 ZINC000012733741 525212233 /nfs/dbraw/zinc/21/22/33/525212233.db2.gz SDGFUFWKEUNECV-HZPDHXFCSA-N 1 1 438.553 4.719 50 0 IJAAMO COc1ccc([C@H](C)[N@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433550 525300234 /nfs/dbraw/zinc/30/02/34/525300234.db2.gz XTPYMCPVXCARFM-FQEVSTJZSA-N 1 1 434.584 4.861 50 0 IJAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433550 525300244 /nfs/dbraw/zinc/30/02/44/525300244.db2.gz XTPYMCPVXCARFM-FQEVSTJZSA-N 1 1 434.584 4.861 50 0 IJAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@H](C(=O)c4cccnc4)C3)ccc2c1 ZINC000012301991 525618582 /nfs/dbraw/zinc/61/85/82/525618582.db2.gz QHBOQLCFEIREFT-QFIPXVFZSA-N 1 1 426.520 4.728 50 0 IJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnn(C(C)C)c4)C3)cc2)c1 ZINC000012207046 525713521 /nfs/dbraw/zinc/71/35/21/525713521.db2.gz VZHPQIXNLKUDII-QHCPKHFHSA-N 1 1 432.568 4.990 50 0 IJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2cccs2)cc1 ZINC000057289788 525968295 /nfs/dbraw/zinc/96/82/95/525968295.db2.gz PPMHBSOESOCOKT-QFIPXVFZSA-N 1 1 437.956 4.608 50 0 IJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012881576 526168699 /nfs/dbraw/zinc/16/86/99/526168699.db2.gz LXXGQLXJLIKHLA-LJQANCHMSA-N 1 1 445.357 4.694 50 0 IJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012881576 526168705 /nfs/dbraw/zinc/16/87/05/526168705.db2.gz LXXGQLXJLIKHLA-LJQANCHMSA-N 1 1 445.357 4.694 50 0 IJAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](C/C=C/c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000021798772 526311280 /nfs/dbraw/zinc/31/12/80/526311280.db2.gz OCUFNPCUIZCQRI-RMKNXTFCSA-N 1 1 441.554 4.988 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)NCc1ccccc1Cl ZINC000012387622 526555172 /nfs/dbraw/zinc/55/51/72/526555172.db2.gz DMBWACWAIQWEDH-INIZCTEOSA-N 1 1 428.989 4.653 50 0 IJAAMO Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)c12 ZINC000022296501 526681530 /nfs/dbraw/zinc/68/15/30/526681530.db2.gz ORMRJAHDLCKUPG-STQMWFEESA-N 1 1 425.558 4.595 50 0 IJAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)[N@H+]3CCC[C@@]123 ZINC000012464282 527038312 /nfs/dbraw/zinc/03/83/12/527038312.db2.gz VLKYVNFERXFLTH-KJOQGJGQSA-N 1 1 429.589 4.791 50 0 IJAAMO Cc1nc2c(sc(=S)n2Cc2ccccc2)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012463253 527113272 /nfs/dbraw/zinc/11/32/72/527113272.db2.gz TXZWOENMRUAXKI-UHFFFAOYSA-N 1 1 447.633 4.901 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002287978 555765585 /nfs/dbraw/zinc/76/55/85/555765585.db2.gz SQNXUTNQYVHCST-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002287979 555765902 /nfs/dbraw/zinc/76/59/02/555765902.db2.gz SQNXUTNQYVHCST-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO O=C(NCc1cccc(F)c1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684599 555820098 /nfs/dbraw/zinc/82/00/98/555820098.db2.gz DJWJFDJNANLGJH-UHFFFAOYSA-N 1 1 437.946 4.731 50 0 IJAAMO CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccccc32)C1 ZINC000034868209 555925807 /nfs/dbraw/zinc/92/58/07/555925807.db2.gz FWIDIZNLGZOMBQ-LJQANCHMSA-N 1 1 432.520 4.644 50 0 IJAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663508 556344285 /nfs/dbraw/zinc/34/42/85/556344285.db2.gz IIHHYAIOQRLJQJ-QFIPXVFZSA-N 1 1 438.575 4.976 50 0 IJAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663508 556344286 /nfs/dbraw/zinc/34/42/86/556344286.db2.gz IIHHYAIOQRLJQJ-QFIPXVFZSA-N 1 1 438.575 4.976 50 0 IJAAMO CSc1ncc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011839038 556363824 /nfs/dbraw/zinc/36/38/24/556363824.db2.gz APQYUAMHOBWYDO-SFHVURJKSA-N 1 1 438.563 4.604 50 0 IJAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000014118325 556371627 /nfs/dbraw/zinc/37/16/27/556371627.db2.gz CRXMIBDMTOYFQH-AWEZNQCLSA-N 1 1 434.367 4.955 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012049336 556392084 /nfs/dbraw/zinc/39/20/84/556392084.db2.gz MJOAHUVHSWDYQJ-HXNBDSKHSA-N 1 1 431.624 4.536 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)c(OC)c1 ZINC000012072410 556396215 /nfs/dbraw/zinc/39/62/15/556396215.db2.gz TUVVABNSDRXQPE-BTZCDPCDSA-N 1 1 436.596 4.916 50 0 IJAAMO COCCN1C(=O)CC[C@@H]2C[N@H+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000012079868 556398613 /nfs/dbraw/zinc/39/86/13/556398613.db2.gz YCYUKBWVUXCSIZ-XXBNENTESA-N 1 1 428.960 4.592 50 0 IJAAMO Cc1c(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)c(=O)n(-c2ccccc2)n1C ZINC000014963787 556464894 /nfs/dbraw/zinc/46/48/94/556464894.db2.gz FDHPJHOTEVPZNF-QFIPXVFZSA-N 1 1 439.559 4.733 50 0 IJAAMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030660 556489157 /nfs/dbraw/zinc/48/91/57/556489157.db2.gz KFTPQTQYLASHSZ-OAHLLOKOSA-N 1 1 440.897 4.602 50 0 IJAAMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030660 556489159 /nfs/dbraw/zinc/48/91/59/556489159.db2.gz KFTPQTQYLASHSZ-OAHLLOKOSA-N 1 1 440.897 4.602 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000015069737 556495066 /nfs/dbraw/zinc/49/50/66/556495066.db2.gz CXRRVKMVFZENGS-HNNXBMFYSA-N 1 1 429.051 4.628 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000015947173 556568113 /nfs/dbraw/zinc/56/81/13/556568113.db2.gz RRMJACAZYSLNFX-NRFANRHFSA-N 1 1 433.533 4.774 50 0 IJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015947126 556568125 /nfs/dbraw/zinc/56/81/25/556568125.db2.gz MJQSOSKWWBMWEP-NRFANRHFSA-N 1 1 433.533 4.774 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146254 556593789 /nfs/dbraw/zinc/59/37/89/556593789.db2.gz RCQYMXALWDNTNU-RTWAWAEBSA-N 1 1 448.966 4.508 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022579 556622613 /nfs/dbraw/zinc/62/26/13/556622613.db2.gz OOYUQJBUDSMAMP-MRXNPFEDSA-N 1 1 428.577 4.825 50 0 IJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022583 556622618 /nfs/dbraw/zinc/62/26/18/556622618.db2.gz OOYUQJBUDSMAMP-INIZCTEOSA-N 1 1 428.577 4.825 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)C1 ZINC000005022584 556622623 /nfs/dbraw/zinc/62/26/23/556622623.db2.gz LLTDMVOOAUVHDM-IYBDPMFKSA-N 1 1 428.577 4.539 50 0 IJAAMO CC1CCN(c2nc3ccc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3s2)CC1 ZINC000005145308 556642183 /nfs/dbraw/zinc/64/21/83/556642183.db2.gz ZDPYTILEXIWLEN-KDURUIRLSA-N 1 1 428.646 4.915 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000019223088 556716234 /nfs/dbraw/zinc/71/62/34/556716234.db2.gz DRUYIXXZSAQABU-KRWDZBQOSA-N 1 1 441.915 4.608 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000019223088 556716235 /nfs/dbraw/zinc/71/62/35/556716235.db2.gz DRUYIXXZSAQABU-KRWDZBQOSA-N 1 1 441.915 4.608 50 0 IJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000033907963 556723367 /nfs/dbraw/zinc/72/33/67/556723367.db2.gz XQWITZSWWXOLEV-GNMOFYLKSA-N 1 1 438.612 4.741 50 0 biogenic IJAAMO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019535060 556793914 /nfs/dbraw/zinc/79/39/14/556793914.db2.gz DVFXQSJNFCBMPR-SIWPHUPXSA-N 1 1 433.518 4.988 50 0 IJAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019535060 556793915 /nfs/dbraw/zinc/79/39/15/556793915.db2.gz DVFXQSJNFCBMPR-SIWPHUPXSA-N 1 1 433.518 4.988 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3sc4ncccc4c3-n3cccc3)C2)cc1 ZINC000033059882 556816507 /nfs/dbraw/zinc/81/65/07/556816507.db2.gz ZNOYDNNTBIYUKT-HXUWFJFHSA-N 1 1 430.577 4.647 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000065363238 556834772 /nfs/dbraw/zinc/83/47/72/556834772.db2.gz VYEIFZWMNLUCNC-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732661 556876831 /nfs/dbraw/zinc/87/68/31/556876831.db2.gz BAPWXFZZMISZFN-SFHVURJKSA-N 1 1 438.597 4.952 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732661 556876835 /nfs/dbraw/zinc/87/68/35/556876835.db2.gz BAPWXFZZMISZFN-SFHVURJKSA-N 1 1 438.597 4.952 50 0 IJAAMO CN(Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020149264 556990642 /nfs/dbraw/zinc/99/06/42/556990642.db2.gz BPJLCOUSJPZBDA-LJQANCHMSA-N 1 1 430.518 4.968 50 0 IJAAMO COc1ccc(C[N@@H+]2CCc3nc(SCc4c(F)cccc4Cl)[nH]c(=O)c3C2)cc1 ZINC000033287262 557064292 /nfs/dbraw/zinc/06/42/92/557064292.db2.gz CTJALBSIEYEDAY-UHFFFAOYSA-N 1 1 445.947 4.834 50 0 IJAAMO COc1ccc(C[N@H+]2CCc3nc(SCc4c(F)cccc4Cl)[nH]c(=O)c3C2)cc1 ZINC000033287262 557064296 /nfs/dbraw/zinc/06/42/96/557064296.db2.gz CTJALBSIEYEDAY-UHFFFAOYSA-N 1 1 445.947 4.834 50 0 IJAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000023224757 557074992 /nfs/dbraw/zinc/07/49/92/557074992.db2.gz FEFMLCGFAXNKIY-DEOSSOPVSA-N 1 1 436.983 4.877 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908667 557125066 /nfs/dbraw/zinc/12/50/66/557125066.db2.gz FDTYEJBZWRNCFM-MHZLTWQESA-N 1 1 443.591 4.605 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000023908667 557125071 /nfs/dbraw/zinc/12/50/71/557125071.db2.gz FDTYEJBZWRNCFM-MHZLTWQESA-N 1 1 443.591 4.605 50 0 IJAAMO O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025325829 557204198 /nfs/dbraw/zinc/20/41/98/557204198.db2.gz RLNQAXYBTASTCQ-UHFFFAOYSA-N 1 1 440.522 4.636 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3)[nH]n2)c1 ZINC000023316924 557215471 /nfs/dbraw/zinc/21/54/71/557215471.db2.gz QRKKDVNMATXQSF-LJQANCHMSA-N 1 1 432.568 4.747 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3)n[nH]2)c1 ZINC000023316924 557215474 /nfs/dbraw/zinc/21/54/74/557215474.db2.gz QRKKDVNMATXQSF-LJQANCHMSA-N 1 1 432.568 4.747 50 0 IJAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3)n[nH]2)c1 ZINC000023316924 557215475 /nfs/dbraw/zinc/21/54/75/557215475.db2.gz QRKKDVNMATXQSF-LJQANCHMSA-N 1 1 432.568 4.747 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CCCCC1 ZINC000069949390 557228036 /nfs/dbraw/zinc/22/80/36/557228036.db2.gz FRGHNXMCDARLBU-XMMPIXPASA-N 1 1 447.623 4.871 50 0 IJAAMO CC(C)c1ccc(C[N@H+](C)[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951042 557544768 /nfs/dbraw/zinc/54/47/68/557544768.db2.gz DOAOTUSMQUGLHO-CLJLJLNGSA-N 1 1 434.605 4.886 50 0 IJAAMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951042 557544772 /nfs/dbraw/zinc/54/47/72/557544772.db2.gz DOAOTUSMQUGLHO-CLJLJLNGSA-N 1 1 434.605 4.886 50 0 IJAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000225523334 557735609 /nfs/dbraw/zinc/73/56/09/557735609.db2.gz IPFMQASEJXGUGJ-RTBURBONSA-N 1 1 437.675 4.643 50 0 IJAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)CC2)c1 ZINC000023373432 568613607 /nfs/dbraw/zinc/61/36/07/568613607.db2.gz XANHXRFJLPMGSS-QFIPXVFZSA-N 1 1 442.529 4.973 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984013 568622898 /nfs/dbraw/zinc/62/28/98/568622898.db2.gz LOSFQGXQAVDBMR-LOSJGSFVSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984013 568622899 /nfs/dbraw/zinc/62/28/99/568622899.db2.gz LOSFQGXQAVDBMR-LOSJGSFVSA-N 1 1 448.538 4.569 50 0 IJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+](Cc3ccco3)C3CCCC3)c21 ZINC000015727453 568812737 /nfs/dbraw/zinc/81/27/37/568812737.db2.gz ACJGLAOFQYCGQJ-UHFFFAOYSA-N 1 1 440.544 4.856 50 0 IJAAMO CCCc1c(O)c(C(C)=O)ccc1OCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068839 568843339 /nfs/dbraw/zinc/84/33/39/568843339.db2.gz LVMYAQNYIJQHOE-UHFFFAOYSA-N 1 1 445.003 4.787 50 0 IJAAMO Cc1cccc(N2CC[N@H+](C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)C[C@@H]2C)c1 ZINC000239297188 568911119 /nfs/dbraw/zinc/91/11/19/568911119.db2.gz DSZYVPQRNAHHSZ-JPZGVGIDSA-N 1 1 444.619 4.981 50 0 IJAAMO O=c1c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2occ1-c1ccccc1 ZINC000054306997 568937399 /nfs/dbraw/zinc/93/73/99/568937399.db2.gz NAYORTRTVJRHFC-UHFFFAOYSA-N 1 1 426.516 4.661 50 0 biogenic IJAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069048 568945388 /nfs/dbraw/zinc/94/53/88/568945388.db2.gz MVRASVVJYLJCOD-SFHVURJKSA-N 1 1 440.975 4.742 50 0 IJAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069048 568945391 /nfs/dbraw/zinc/94/53/91/568945391.db2.gz MVRASVVJYLJCOD-SFHVURJKSA-N 1 1 440.975 4.742 50 0 IJAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064801350 568961004 /nfs/dbraw/zinc/96/10/04/568961004.db2.gz PPLNIWSUQVMPDV-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146027 568962031 /nfs/dbraw/zinc/96/20/31/568962031.db2.gz MLEVLGRWPSSWIR-VXKWHMMOSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146023 568962243 /nfs/dbraw/zinc/96/22/43/568962243.db2.gz LFCJHFQREYYLMF-GOTSBHOMSA-N 1 1 448.966 4.508 50 0 IJAAMO O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169678470 568989940 /nfs/dbraw/zinc/98/99/40/568989940.db2.gz XGUUEOUGZUVNIB-RSXGOPAZSA-N 1 1 445.994 4.520 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036302648 568993547 /nfs/dbraw/zinc/99/35/47/568993547.db2.gz DISNWUDOZCGTQH-IBGZPJMESA-N 1 1 435.568 4.828 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036308429 568996425 /nfs/dbraw/zinc/99/64/25/568996425.db2.gz CWORZVIZMQYQTM-REWPJTCUSA-N 1 1 437.584 4.971 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341652 569079365 /nfs/dbraw/zinc/07/93/65/569079365.db2.gz CEPWPHHPKLJCHR-RUZDIDTESA-N 1 1 443.547 4.514 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341652 569079367 /nfs/dbraw/zinc/07/93/67/569079367.db2.gz CEPWPHHPKLJCHR-RUZDIDTESA-N 1 1 443.547 4.514 50 0 IJAAMO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346790 569081330 /nfs/dbraw/zinc/08/13/30/569081330.db2.gz DTZBLVZIQCDRNQ-JOCHJYFZSA-N 1 1 437.584 4.653 50 0 IJAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000006922836 569109576 /nfs/dbraw/zinc/10/95/76/569109576.db2.gz UWRQLAGOUKFNKV-LJGDZFJRSA-N 1 1 425.569 4.889 50 0 biogenic IJAAMO CSc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006978628 569114766 /nfs/dbraw/zinc/11/47/66/569114766.db2.gz SWACIUVRPUYZJL-UHFFFAOYSA-N 1 1 425.623 4.856 50 0 IJAAMO COc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C ZINC000013130159 569125430 /nfs/dbraw/zinc/12/54/30/569125430.db2.gz ILKJCYDOOPBPKF-UHFFFAOYSA-N 1 1 435.568 4.633 50 0 IJAAMO COc1cc(CCC2CC[NH+](Cc3nc(-c4ccccc4OC)no3)CC2)cc(OC)c1 ZINC000010027499 569151823 /nfs/dbraw/zinc/15/18/23/569151823.db2.gz NXKOBIHSYRSAEP-UHFFFAOYSA-N 1 1 437.540 4.607 50 0 IJAAMO COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013475986 569155523 /nfs/dbraw/zinc/15/55/23/569155523.db2.gz XQWITZSWWXOLEV-ISCCLHIJSA-N 1 1 438.612 4.741 50 0 biogenic IJAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664633 569197187 /nfs/dbraw/zinc/19/71/87/569197187.db2.gz MNWKOVXZYAPSDN-CPJSRVTESA-N 1 1 425.536 4.915 50 0 IJAAMO COc1ccc(Br)cc1-c1nc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000095962948 569377223 /nfs/dbraw/zinc/37/72/23/569377223.db2.gz NOVFYLJEFTWWEQ-CYBMUJFWSA-N 1 1 433.375 4.684 50 0 IJAAMO CCCSc1ccccc1N1CC[NH+](CCC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026810 569380845 /nfs/dbraw/zinc/38/08/45/569380845.db2.gz MLWKQMVJFDJLJF-UHFFFAOYSA-N 1 1 428.598 4.601 50 0 IJAAMO COc1ccccc1C[N@@H+]1CCc2nc(N3CCCC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000096281825 569390163 /nfs/dbraw/zinc/39/01/63/569390163.db2.gz DFVQKMLDDGPHIG-UHFFFAOYSA-N 1 1 430.552 4.744 50 0 IJAAMO COc1ccccc1C[N@H+]1CCc2nc(N3CCCC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000096281825 569390164 /nfs/dbraw/zinc/39/01/64/569390164.db2.gz DFVQKMLDDGPHIG-UHFFFAOYSA-N 1 1 430.552 4.744 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000002915259 569425110 /nfs/dbraw/zinc/42/51/10/569425110.db2.gz IAADRNHSNVRJAZ-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000002915172 569425162 /nfs/dbraw/zinc/42/51/62/569425162.db2.gz IZONCLVGACSPIE-RPBOFIJWSA-N 1 1 438.487 4.508 50 0 IJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccc(F)c2)cc1 ZINC000057273662 569430426 /nfs/dbraw/zinc/43/04/26/569430426.db2.gz KOXKOCSGGMVKAH-HHHXNRCGSA-N 1 1 445.538 4.833 50 0 IJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057373576 569432575 /nfs/dbraw/zinc/43/25/75/569432575.db2.gz MEJNTZFZDYADQW-UHFFFAOYSA-N 1 1 427.548 4.677 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000057381127 569432713 /nfs/dbraw/zinc/43/27/13/569432713.db2.gz QEUDAGRMVFDVLN-IAGOWNOFSA-N 1 1 435.499 4.764 50 0 IJAAMO Cc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546411 569463620 /nfs/dbraw/zinc/46/36/20/569463620.db2.gz BWPPKJWOWNUHHY-FQEVSTJZSA-N 1 1 429.973 4.892 50 0 IJAAMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008981641 569494462 /nfs/dbraw/zinc/49/44/62/569494462.db2.gz GKBIHLZTMFXTRN-QFIPXVFZSA-N 1 1 447.623 4.645 50 0 IJAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000040161514 569495218 /nfs/dbraw/zinc/49/52/18/569495218.db2.gz DPHNQAFERULSNR-UHFFFAOYSA-N 1 1 436.383 4.646 50 0 IJAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000040161514 569495219 /nfs/dbraw/zinc/49/52/19/569495219.db2.gz DPHNQAFERULSNR-UHFFFAOYSA-N 1 1 436.383 4.646 50 0 IJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCc3ccc(C[N@H+]4CCCC[C@@H]4CC)o3)c21 ZINC000009227689 569513496 /nfs/dbraw/zinc/51/34/96/569513496.db2.gz SASGEVQRYCVHPA-KRWDZBQOSA-N 1 1 440.544 4.986 50 0 IJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000069967578 569525895 /nfs/dbraw/zinc/52/58/95/569525895.db2.gz KPPAFTALDVNMFT-SFHVURJKSA-N 1 1 447.604 4.892 50 0 IJAAMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000009849379 569571296 /nfs/dbraw/zinc/57/12/96/569571296.db2.gz MJRSWWWSOPDOSK-UHFFFAOYSA-N 1 1 446.422 4.550 50 0 IJAAMO COc1cc(C[N@H+]2C[C@@H](C(=O)NCc3ccccc3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669904 569587467 /nfs/dbraw/zinc/58/74/67/569587467.db2.gz JLNGRBBCDIDRTQ-RPLLCQBOSA-N 1 1 444.575 4.974 50 0 IJAAMO Cc1ccc(-c2nnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)cc1 ZINC000003264044 132262911 /nfs/dbraw/zinc/26/29/11/132262911.db2.gz DMMGZUJMKZDQAE-UHFFFAOYSA-N 1 1 438.531 4.656 50 0 IJAAMO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@@H]1CCC(=O)N1 ZINC000012385349 519662750 /nfs/dbraw/zinc/66/27/50/519662750.db2.gz UBWFSLLRPORAQB-QHCPKHFHSA-N 1 1 442.563 4.834 50 0 IJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000020579146 520476443 /nfs/dbraw/zinc/47/64/43/520476443.db2.gz CSYFLUMNCZBGOO-UHFFFAOYSA-N 1 1 442.007 4.851 50 0 IJAAMO CCN(Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012595196 521276318 /nfs/dbraw/zinc/27/63/18/521276318.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 1 1 426.649 4.866 50 0 IJAAMO CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012595196 521276366 /nfs/dbraw/zinc/27/63/66/521276366.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 1 1 426.649 4.866 50 0 IJAAMO CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012595196 521276373 /nfs/dbraw/zinc/27/63/73/521276373.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 1 1 426.649 4.866 50 0 IJAAMO CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)[NH2+][C@@H](c2cc(OC)ccc2OC)[C@@H]1C ZINC000020806583 521321345 /nfs/dbraw/zinc/32/13/45/521321345.db2.gz GIMAZQRNBHQQHN-RLPFTAPJSA-N 1 1 429.557 4.664 50 0 IJAAMO CCOC(=O)[C@]1(CCCc2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012318498 521354144 /nfs/dbraw/zinc/35/41/44/521354144.db2.gz ZUQANIHSSNKGHM-MUUNZHRXSA-N 1 1 449.639 4.714 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000021486610 521371307 /nfs/dbraw/zinc/37/13/07/521371307.db2.gz GJFRGKIRGOOJGG-ROUUACIJSA-N 1 1 444.597 4.646 50 0 IJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735077 521657465 /nfs/dbraw/zinc/65/74/65/521657465.db2.gz NUCLMBZORIKRLO-RSZPVBOMSA-N 1 1 441.984 4.639 50 0 IJAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1=O ZINC000012223773 521727492 /nfs/dbraw/zinc/72/74/92/521727492.db2.gz RZFVNWOUCKZLIS-OAQYLSRUSA-N 1 1 442.563 4.645 50 0 IJAAMO CC[C@@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000036048491 522721389 /nfs/dbraw/zinc/72/13/89/522721389.db2.gz VIKOHIFJIYWWHY-RDGATRHJSA-N 1 1 439.600 4.598 50 0 IJAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]Cc1ccc(Cl)s1 ZINC000012316220 522954191 /nfs/dbraw/zinc/95/41/91/522954191.db2.gz JUPBNLLJWMCDPX-UHFFFAOYSA-N 1 1 445.013 4.715 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043125 523036437 /nfs/dbraw/zinc/03/64/37/523036437.db2.gz CNCJYVAOFAFYFB-NFQMXDRXSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043125 523036452 /nfs/dbraw/zinc/03/64/52/523036452.db2.gz CNCJYVAOFAFYFB-NFQMXDRXSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041044 523045508 /nfs/dbraw/zinc/04/55/08/523045508.db2.gz YYHXTQNVXMASIW-DEOSSOPVSA-N 1 1 430.548 4.542 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041044 523045516 /nfs/dbraw/zinc/04/55/16/523045516.db2.gz YYHXTQNVXMASIW-DEOSSOPVSA-N 1 1 430.548 4.542 50 0 IJAAMO COc1ccc(/C=C\C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000033284901 523430513 /nfs/dbraw/zinc/43/05/13/523430513.db2.gz WUHFSCFYFBWCOF-PEZBUJJGSA-N 1 1 442.559 4.651 50 0 IJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1 ZINC000020927235 523995230 /nfs/dbraw/zinc/99/52/30/523995230.db2.gz SPHYNTYELBIWDI-UHFFFAOYSA-N 1 1 445.386 4.611 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1OC ZINC000042453730 524027966 /nfs/dbraw/zinc/02/79/66/524027966.db2.gz AADSFMLOWRTXDT-OAHLLOKOSA-N 1 1 443.494 4.760 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012433843 524222045 /nfs/dbraw/zinc/22/20/45/524222045.db2.gz XGMVDWPIMWACKL-MRXNPFEDSA-N 1 1 426.948 4.856 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012433843 524222049 /nfs/dbraw/zinc/22/20/49/524222049.db2.gz XGMVDWPIMWACKL-MRXNPFEDSA-N 1 1 426.948 4.856 50 0 IJAAMO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012772202 524471997 /nfs/dbraw/zinc/47/19/97/524471997.db2.gz CMSQLGHDDDWAAZ-OAHLLOKOSA-N 1 1 444.000 4.843 50 0 IJAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433549 525129950 /nfs/dbraw/zinc/12/99/50/525129950.db2.gz XTPYMCPVXCARFM-HXUWFJFHSA-N 1 1 434.584 4.861 50 0 IJAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433549 525129958 /nfs/dbraw/zinc/12/99/58/525129958.db2.gz XTPYMCPVXCARFM-HXUWFJFHSA-N 1 1 434.584 4.861 50 0 IJAAMO C[C@@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022796609 525190168 /nfs/dbraw/zinc/19/01/68/525190168.db2.gz ZVJFLTLRDFVZJN-YKSBVNFPSA-N 1 1 440.657 4.627 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)o1 ZINC000021659816 525956854 /nfs/dbraw/zinc/95/68/54/525956854.db2.gz SBHCXIULMJRJDZ-SFHVURJKSA-N 1 1 444.329 4.572 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCC2)o1 ZINC000021659773 525959666 /nfs/dbraw/zinc/95/96/66/525959666.db2.gz DMMUSRUTVBYERN-KRWDZBQOSA-N 1 1 431.330 4.972 50 0 IJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850462 526036786 /nfs/dbraw/zinc/03/67/86/526036786.db2.gz LFCHEBWINLNLKS-ZDUSSCGKSA-N 1 1 437.853 4.571 50 0 IJAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850462 526036801 /nfs/dbraw/zinc/03/68/01/526036801.db2.gz LFCHEBWINLNLKS-ZDUSSCGKSA-N 1 1 437.853 4.571 50 0 IJAAMO COc1cccc(NC(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000022679798 526190679 /nfs/dbraw/zinc/19/06/79/526190679.db2.gz GSPQVBVOSKRNGO-OAQYLSRUSA-N 1 1 437.565 4.686 50 0 IJAAMO COc1cccc(NC(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000022679798 526190684 /nfs/dbraw/zinc/19/06/84/526190684.db2.gz GSPQVBVOSKRNGO-OAQYLSRUSA-N 1 1 437.565 4.686 50 0 IJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000012651304 526194661 /nfs/dbraw/zinc/19/46/61/526194661.db2.gz OSPIDPFZYXYNBW-LPHOPBHVSA-N 1 1 434.392 4.624 50 0 IJAAMO Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000022641736 526451814 /nfs/dbraw/zinc/45/18/14/526451814.db2.gz RNZMQIHOIYOPEJ-AWEZNQCLSA-N 1 1 425.451 4.543 50 0 IJAAMO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021017095 526588717 /nfs/dbraw/zinc/58/87/17/526588717.db2.gz FVRHPUJEYXRXNY-UHFFFAOYSA-N 1 1 440.522 4.763 50 0 IJAAMO O=C(c1cccnc1)N1CCC[C@@H](COc2ccc(C[N@H+]3CCc4ccccc4C3)cc2)C1 ZINC000012326834 526818279 /nfs/dbraw/zinc/81/82/79/526818279.db2.gz ONLJCJVJHXILDN-HSZRJFAPSA-N 1 1 441.575 4.571 50 0 IJAAMO O=C(c1cncn1-c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022095913 526884771 /nfs/dbraw/zinc/88/47/71/526884771.db2.gz YGSXSIRFKPTJNJ-UHFFFAOYSA-N 1 1 440.522 4.559 50 0 IJAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)[N@@H+]3CCC[C@@]123 ZINC000012205477 527036840 /nfs/dbraw/zinc/03/68/40/527036840.db2.gz GLCUXRGGJDXLSX-SSPYTLHUSA-N 1 1 426.482 4.611 50 0 IJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000000635863 555516681 /nfs/dbraw/zinc/51/66/81/555516681.db2.gz XDEVMUFJFXTOJO-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccsc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683775 555819464 /nfs/dbraw/zinc/81/94/64/555819464.db2.gz FTKPJXQGXLFPSQ-UHFFFAOYSA-N 1 1 426.607 4.916 50 0 IJAAMO Clc1ccc(C[NH+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)cc1 ZINC000034707966 555822429 /nfs/dbraw/zinc/82/24/29/555822429.db2.gz OTTBFKKJSZNFDU-UHFFFAOYSA-N 1 1 444.926 4.513 50 0 IJAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)sc2c1CC[C@@H](C)C2 ZINC000004056412 555955569 /nfs/dbraw/zinc/95/55/69/555955569.db2.gz RFPUDJTYKWVUIJ-YPCHGGDPSA-N 1 1 432.630 4.889 50 0 IJAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000009934064 556317852 /nfs/dbraw/zinc/31/78/52/556317852.db2.gz OPHPOHLALVXDPA-XMMPIXPASA-N 1 1 435.568 4.552 50 0 IJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccccc3OC(F)F)[N@@H+]3CCC[C@@]123 ZINC000011770189 556350069 /nfs/dbraw/zinc/35/00/69/556350069.db2.gz VDFUYHNGNLOVCX-NVVBAYIOSA-N 1 1 432.898 4.879 50 0 IJAAMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000011838479 556363259 /nfs/dbraw/zinc/36/32/59/556363259.db2.gz WJBXZNPTDXCVCV-FQEVSTJZSA-N 1 1 431.001 4.563 50 0 IJAAMO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000014186227 556386096 /nfs/dbraw/zinc/38/60/96/556386096.db2.gz RNYPUDKMCJZARZ-UHFFFAOYSA-N 1 1 441.575 4.883 50 0 IJAAMO O=C1CC[C@@H]2C[N@H+](Cc3c(F)cccc3F)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012037514 556390140 /nfs/dbraw/zinc/39/01/40/556390140.db2.gz GMTWKMQUQZZRTR-IERDGZPVSA-N 1 1 438.440 4.997 50 0 IJAAMO O=C1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012037514 556390142 /nfs/dbraw/zinc/39/01/42/556390142.db2.gz GMTWKMQUQZZRTR-IERDGZPVSA-N 1 1 438.440 4.997 50 0 IJAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014749893 556443042 /nfs/dbraw/zinc/44/30/42/556443042.db2.gz PWKJHFAVIMQOFU-JYFHCDHNSA-N 1 1 445.607 4.833 50 0 IJAAMO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3c(F)cccc3Cl)CC2)O1)c1cccc(F)c1 ZINC000014879601 556452822 /nfs/dbraw/zinc/45/28/22/556452822.db2.gz OKHMIZLYRUWKGS-SFHVURJKSA-N 1 1 434.914 4.562 50 0 IJAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029477706 556476114 /nfs/dbraw/zinc/47/61/14/556476114.db2.gz COWLSYOSDAFARZ-XTEPFMGCSA-N 1 1 428.576 4.532 50 0 IJAAMO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000032891547 556519252 /nfs/dbraw/zinc/51/92/52/556519252.db2.gz WSTNJHIGSOSNMO-OAHLLOKOSA-N 1 1 433.895 4.619 50 0 IJAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000013596144 556531983 /nfs/dbraw/zinc/53/19/83/556531983.db2.gz QLLNDHAHOPYCSL-GOSISDBHSA-N 1 1 432.511 4.605 50 0 IJAAMO Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[NH+](C)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000013623590 556536081 /nfs/dbraw/zinc/53/60/81/556536081.db2.gz GWYIHMDXMSVDNU-UHFFFAOYSA-N 1 1 444.531 4.530 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593961 556541923 /nfs/dbraw/zinc/54/19/23/556541923.db2.gz BICZXIDXZKUIQT-NRFANRHFSA-N 1 1 425.916 4.571 50 0 IJAAMO CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)C[C@@H](O)COCc1ccccc1Cl ZINC000016043574 556578362 /nfs/dbraw/zinc/57/83/62/556578362.db2.gz PFEXWQNZPWYETR-OAQYLSRUSA-N 1 1 435.992 4.927 50 0 IJAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000016246781 556594047 /nfs/dbraw/zinc/59/40/47/556594047.db2.gz VKSVJQOJUSUALE-UHFFFAOYSA-N 1 1 437.543 4.868 50 0 IJAAMO COc1ccc(C[C@H]([NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694979 556628557 /nfs/dbraw/zinc/62/85/57/556628557.db2.gz OIVBKIFJXRMZRF-XDHUDOTRSA-N 1 1 429.520 4.575 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCCCC1 ZINC000409414248 556639589 /nfs/dbraw/zinc/63/95/89/556639589.db2.gz JLLMINFWVXBGIS-BJKOFHAPSA-N 1 1 429.649 4.667 50 0 biogenic IJAAMO O=c1nc(N2CC[NH+](C3CCCCC3)CC2)[nH]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169350 556666404 /nfs/dbraw/zinc/66/64/04/556666404.db2.gz DSJJOXHZKBQJCF-UHFFFAOYSA-N 1 1 428.989 4.760 50 0 IJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019229556 556718154 /nfs/dbraw/zinc/71/81/54/556718154.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CCN(Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019229556 556718158 /nfs/dbraw/zinc/71/81/58/556718158.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000019229556 556718161 /nfs/dbraw/zinc/71/81/61/556718161.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO CC[N@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000019229556 556718164 /nfs/dbraw/zinc/71/81/64/556718164.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 1 1 432.612 4.658 50 0 IJAAMO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)s1 ZINC000055042213 556732363 /nfs/dbraw/zinc/73/23/63/556732363.db2.gz ZIFUKWDVORZEFQ-IBGZPJMESA-N 1 1 437.531 4.502 50 0 IJAAMO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](C(=O)c4ccccc4SC)C3)cn2)cc1 ZINC000055575715 556742444 /nfs/dbraw/zinc/74/24/44/556742444.db2.gz UMKHZTAEXBNGLV-FQEVSTJZSA-N 1 1 433.577 4.969 50 0 IJAAMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C(=O)c4ccccc4SC)C3)cn2)cc1 ZINC000055575715 556742446 /nfs/dbraw/zinc/74/24/46/556742446.db2.gz UMKHZTAEXBNGLV-FQEVSTJZSA-N 1 1 433.577 4.969 50 0 IJAAMO COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)c1 ZINC000096600549 556761551 /nfs/dbraw/zinc/76/15/51/556761551.db2.gz PRAKJIZVYUUZDJ-NRPOGKOASA-N 1 1 438.612 4.520 50 0 biogenic IJAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000058157849 556763220 /nfs/dbraw/zinc/76/32/20/556763220.db2.gz PZQCZZHLVAWCNN-XMMPIXPASA-N 1 1 433.939 4.550 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000058218454 556773227 /nfs/dbraw/zinc/77/32/27/556773227.db2.gz OXFFWMLPNFLTPL-HSZRJFAPSA-N 1 1 429.568 4.858 50 0 IJAAMO CCCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000064084479 556822697 /nfs/dbraw/zinc/82/26/97/556822697.db2.gz ZQWRPRCCDKACSM-UHFFFAOYSA-N 1 1 447.623 4.732 50 0 IJAAMO O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019637495 556836028 /nfs/dbraw/zinc/83/60/28/556836028.db2.gz ZZEDFTWYWZWQTM-UHFFFAOYSA-N 1 1 442.950 4.908 50 0 IJAAMO COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)[NH+]2CCCC2)cc1 ZINC000008745752 556845306 /nfs/dbraw/zinc/84/53/06/556845306.db2.gz UMLNSEPBGBOSMB-NRFANRHFSA-N 1 1 440.613 4.638 50 0 IJAAMO CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1C[NH2+][C@@H](CC)c1cccs1 ZINC000019795216 556916303 /nfs/dbraw/zinc/91/63/03/556916303.db2.gz PQDIZYBNECSZGZ-HNNXBMFYSA-N 1 1 426.567 4.961 50 0 IJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4ccccc4)CC3)ccc21 ZINC000019840631 556929438 /nfs/dbraw/zinc/92/94/38/556929438.db2.gz MLMYQKCXZDBEAV-UHFFFAOYSA-N 1 1 427.548 4.538 50 0 IJAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000019841557 556929889 /nfs/dbraw/zinc/92/98/89/556929889.db2.gz KCRRQTPQRQKVGW-LJQANCHMSA-N 1 1 433.518 4.794 50 0 IJAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000019881236 556936957 /nfs/dbraw/zinc/93/69/57/556936957.db2.gz FMODCWMNFKOSDH-IRXDYDNUSA-N 1 1 439.556 4.735 50 0 IJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4ccc(C)cc4)CC3)ccc21 ZINC000019889364 556938716 /nfs/dbraw/zinc/93/87/16/556938716.db2.gz YBULOUNZPATGTC-UHFFFAOYSA-N 1 1 441.575 4.846 50 0 IJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954083 556954603 /nfs/dbraw/zinc/95/46/03/556954603.db2.gz ACYPPMWNYDPXTR-XMMPIXPASA-N 1 1 445.529 4.695 50 0 IJAAMO CC(=O)c1cccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954083 556954609 /nfs/dbraw/zinc/95/46/09/556954609.db2.gz ACYPPMWNYDPXTR-XMMPIXPASA-N 1 1 445.529 4.695 50 0 IJAAMO COc1cccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000020192825 556996643 /nfs/dbraw/zinc/99/66/43/556996643.db2.gz IEPHPOYNOLLKGA-SANMLTNESA-N 1 1 427.548 4.891 50 0 IJAAMO CC(C)[N@@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000020290682 557005687 /nfs/dbraw/zinc/00/56/87/557005687.db2.gz OICOWFDJQOCDTC-UHFFFAOYSA-N 1 1 436.566 4.539 50 0 IJAAMO CC(C)[N@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000020290682 557005689 /nfs/dbraw/zinc/00/56/89/557005689.db2.gz OICOWFDJQOCDTC-UHFFFAOYSA-N 1 1 436.566 4.539 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC(C)C)cc1 ZINC000046032492 557025107 /nfs/dbraw/zinc/02/51/07/557025107.db2.gz NUEZCNFUCLYREY-UHFFFAOYSA-N 1 1 448.592 4.875 50 0 IJAAMO C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181455 557045279 /nfs/dbraw/zinc/04/52/79/557045279.db2.gz KTDAXBSSWSYASF-WZONZLPQSA-N 1 1 429.605 4.836 50 0 IJAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039317 557056055 /nfs/dbraw/zinc/05/60/55/557056055.db2.gz AOPLDTRJAXAWAF-XMMPIXPASA-N 1 1 444.535 4.826 50 0 IJAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039317 557056059 /nfs/dbraw/zinc/05/60/59/557056059.db2.gz AOPLDTRJAXAWAF-XMMPIXPASA-N 1 1 444.535 4.826 50 0 IJAAMO Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000033287198 557064167 /nfs/dbraw/zinc/06/41/67/557064167.db2.gz MBHDZDNYYRYYKF-UHFFFAOYSA-N 1 1 430.961 4.858 50 0 IJAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCCSCc1ccc(Br)s1 ZINC000049581176 557116230 /nfs/dbraw/zinc/11/62/30/557116230.db2.gz RLAKHCQQHUINGM-AWEZNQCLSA-N 1 1 427.433 4.553 50 0 IJAAMO O=c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2sc3c(n21)CCCC3 ZINC000023845829 557120289 /nfs/dbraw/zinc/12/02/89/557120289.db2.gz MCRXEAMAKMLJDV-OAHLLOKOSA-N 1 1 436.606 4.624 50 0 IJAAMO COc1cccc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984888 557186166 /nfs/dbraw/zinc/18/61/66/557186166.db2.gz NAVMWSPOZJOVBZ-CLOONOSVSA-N 1 1 426.520 4.912 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025439840 557209621 /nfs/dbraw/zinc/20/96/21/557209621.db2.gz AVTREDQWCJZDLU-QHCPKHFHSA-N 1 1 443.547 4.593 50 0 IJAAMO C[C@@H]1C[N@@H+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@H](C)O1 ZINC000018165275 557244889 /nfs/dbraw/zinc/24/48/89/557244889.db2.gz BIZAJYNCAAMPKZ-IYBDPMFKSA-N 1 1 427.932 4.591 50 0 IJAAMO C[C@@H]1C[N@H+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@H](C)O1 ZINC000018165275 557244894 /nfs/dbraw/zinc/24/48/94/557244894.db2.gz BIZAJYNCAAMPKZ-IYBDPMFKSA-N 1 1 427.932 4.591 50 0 IJAAMO CCCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000601014385 557629693 /nfs/dbraw/zinc/62/96/93/557629693.db2.gz HDZDJWDOTXGGFA-XMMPIXPASA-N 1 1 432.564 4.981 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984017 568622978 /nfs/dbraw/zinc/62/29/78/568622978.db2.gz LOSFQGXQAVDBMR-JWQCQUIFSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984017 568622982 /nfs/dbraw/zinc/62/29/82/568622982.db2.gz LOSFQGXQAVDBMR-JWQCQUIFSA-N 1 1 448.538 4.569 50 0 IJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000263585305 568758923 /nfs/dbraw/zinc/75/89/23/568758923.db2.gz HDWMZLOXEHLERX-FUTPGTCUSA-N 1 1 430.633 4.696 50 0 biogenic IJAAMO CCOCCOCc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000084802726 568801543 /nfs/dbraw/zinc/80/15/43/568801543.db2.gz JMQSCEBMSHIXEY-OAQYLSRUSA-N 1 1 439.600 4.793 50 0 IJAAMO Cc1ccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)cc1 ZINC000016041343 568868335 /nfs/dbraw/zinc/86/83/35/568868335.db2.gz ZOLFVJQELZIKQS-JENIJYKNSA-N 1 1 433.807 4.702 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@@H](O)CC ZINC000036303057 568993906 /nfs/dbraw/zinc/99/39/06/568993906.db2.gz HAOXWJNQSRGYDH-QFIPXVFZSA-N 1 1 437.584 4.755 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@@H](O)CC ZINC000036303057 568993907 /nfs/dbraw/zinc/99/39/07/568993907.db2.gz HAOXWJNQSRGYDH-QFIPXVFZSA-N 1 1 437.584 4.755 50 0 IJAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304631 568994718 /nfs/dbraw/zinc/99/47/18/568994718.db2.gz QLJILDBLHNJYOV-QFIPXVFZSA-N 1 1 435.568 4.965 50 0 IJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308693 568995718 /nfs/dbraw/zinc/99/57/18/568995718.db2.gz GLQBRJMIPMRNKY-QHCPKHFHSA-N 1 1 435.568 4.582 50 0 IJAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346236 569081183 /nfs/dbraw/zinc/08/11/83/569081183.db2.gz UOECHOHGFJIHDN-JOCHJYFZSA-N 1 1 441.547 4.577 50 0 IJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000170613666 569146175 /nfs/dbraw/zinc/14/61/75/569146175.db2.gz LZZAOCRBQCFRGS-KOSHJBKYSA-N 1 1 449.982 4.638 50 0 IJAAMO C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891133 569165757 /nfs/dbraw/zinc/16/57/57/569165757.db2.gz ZMUYOBKNTITZLC-SBUREZEXSA-N 1 1 441.547 4.708 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000017042557 569171619 /nfs/dbraw/zinc/17/16/19/569171619.db2.gz BSMJORANEOATLK-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664634 569197173 /nfs/dbraw/zinc/19/71/73/569197173.db2.gz MNWKOVXZYAPSDN-CJFMBICVSA-N 1 1 425.536 4.915 50 0 IJAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000328590608 569316834 /nfs/dbraw/zinc/31/68/34/569316834.db2.gz GTZAPNSSIDYSKH-JOCHJYFZSA-N 1 1 433.577 4.974 50 0 IJAAMO CCCCc1cc2c(cc1OC(=O)[C@H]([NH3+])[C@H](C)CC)occ(-c1csc(C)n1)c2=O ZINC000019702901 569327322 /nfs/dbraw/zinc/32/73/22/569327322.db2.gz RRRLTDPGJYSFPY-LRTDBIEQSA-N 1 1 428.554 4.846 50 0 biogenic IJAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000020241835 569358070 /nfs/dbraw/zinc/35/80/70/569358070.db2.gz VDZNAOUMJMAPGC-NRFANRHFSA-N 1 1 429.564 4.508 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2oc1-c1ccccc1 ZINC000096343834 569396940 /nfs/dbraw/zinc/39/69/40/569396940.db2.gz NDLVQNHULRWCPT-NFBKMPQASA-N 1 1 430.548 4.763 50 0 IJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000230018845 569417509 /nfs/dbraw/zinc/41/75/09/569417509.db2.gz WVXMZNBDZCJBFX-WDJPJFJCSA-N 1 1 427.928 4.620 50 0 IJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000230018845 569417511 /nfs/dbraw/zinc/41/75/11/569417511.db2.gz WVXMZNBDZCJBFX-WDJPJFJCSA-N 1 1 427.928 4.620 50 0 IJAAMO COc1ccc2c(c1)O[C@@H](c1ccc(F)cc1)C1=C2[NH+]=C2N=CNN2[C@H]1c1ccc(F)cc1 ZINC000002917979 569425322 /nfs/dbraw/zinc/42/53/22/569425322.db2.gz MJFAIUOQTASUMN-ZEQRLZLVSA-N 1 1 444.441 4.778 50 0 IJAAMO COc1ccc2c(c1)O[C@H](c1ccc(F)cc1)C1=C2[NH+]=C2N=CNN2[C@H]1c1ccc(F)cc1 ZINC000002917981 569425328 /nfs/dbraw/zinc/42/53/28/569425328.db2.gz MJFAIUOQTASUMN-BJKOFHAPSA-N 1 1 444.441 4.778 50 0 IJAAMO c1ccc(COc2ccc(-c3noc(CN4CC[NH+](Cc5ccccc5)CC4)n3)cc2)cc1 ZINC000057427799 569434796 /nfs/dbraw/zinc/43/47/96/569434796.db2.gz QOLOTBYKCQSEIR-UHFFFAOYSA-N 1 1 440.547 4.633 50 0 IJAAMO CCOc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1OC ZINC000057653012 569440688 /nfs/dbraw/zinc/44/06/88/569440688.db2.gz DEHHBHPKAHHHSN-UHFFFAOYSA-N 1 1 433.390 4.611 50 0 IJAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058021479 569445438 /nfs/dbraw/zinc/44/54/38/569445438.db2.gz DNUXFHGTDRYRIE-UHFFFAOYSA-N 1 1 440.897 4.611 50 0 IJAAMO CCc1cc([C@H](c2cccs2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546562 569463651 /nfs/dbraw/zinc/46/36/51/569463651.db2.gz SDGZEFQSTARUBX-HXUWFJFHSA-N 1 1 429.611 4.944 50 0 IJAAMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000008752922 569473653 /nfs/dbraw/zinc/47/36/53/569473653.db2.gz OUSHCRNDTJQPSX-UHFFFAOYSA-N 1 1 440.469 4.675 50 0 IJAAMO CCCc1nc2ccccc2c(NC(=O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1CC ZINC000008816754 569476827 /nfs/dbraw/zinc/47/68/27/569476827.db2.gz LVNZRZAWNZEZEP-UHFFFAOYSA-N 1 1 449.595 4.880 50 0 IJAAMO CCCc1nc2ccccc2c(NC(=O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1CC ZINC000008816754 569476828 /nfs/dbraw/zinc/47/68/28/569476828.db2.gz LVNZRZAWNZEZEP-UHFFFAOYSA-N 1 1 449.595 4.880 50 0 IJAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008880858 569481482 /nfs/dbraw/zinc/48/14/82/569481482.db2.gz XVWIJAGWDDBKAQ-UHFFFAOYSA-N 1 1 435.568 4.532 50 0 IJAAMO FC(F)(F)c1ccc(N2CC[NH+](C3CCN(Cc4cc5ccccc5o4)CC3)CC2)nc1 ZINC000244942686 569496498 /nfs/dbraw/zinc/49/64/98/569496498.db2.gz CVBSQZAZFGGVMF-UHFFFAOYSA-N 1 1 444.501 4.633 50 0 IJAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1)C(C)C ZINC000245326569 569503720 /nfs/dbraw/zinc/50/37/20/569503720.db2.gz GDEWFQHOPYSYGR-GMAHTHKFSA-N 1 1 440.559 4.663 50 0 IJAAMO Clc1cccc(-c2noc([C@H]3CC34CC[NH+](Cc3nc(-c5ccco5)no3)CC4)n2)c1 ZINC000069652391 569511537 /nfs/dbraw/zinc/51/15/37/569511537.db2.gz NFEPIBORBCULLI-MRXNPFEDSA-N 1 1 437.887 4.803 50 0 IJAAMO Cc1cc2sc(N3CCC(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)CC3)nc2c(C)c1 ZINC000009848269 569571270 /nfs/dbraw/zinc/57/12/70/569571270.db2.gz FKVZVQSVSMRGHA-BGYRXZFFSA-N 1 1 442.673 4.899 50 0 IJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)nc2c(C)c1 ZINC000009848370 569571273 /nfs/dbraw/zinc/57/12/73/569571273.db2.gz YWXZDHNSAIISLW-ZVDOUQERSA-N 1 1 442.673 4.614 50 0 IJAAMO CCCc1nc2sc3c(nc(SC)nc3N3CC[NH+](CC)CC3)c2c2c1CCC2 ZINC000002198763 132248666 /nfs/dbraw/zinc/24/86/66/132248666.db2.gz MNKHAQISLRXBCB-UHFFFAOYSA-N 1 1 427.643 4.545 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008590040 132283638 /nfs/dbraw/zinc/28/36/38/132283638.db2.gz NAUNLPWRVSKAME-LJQANCHMSA-N 1 1 446.547 4.526 50 0 IJAAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000009089742 132302625 /nfs/dbraw/zinc/30/26/25/132302625.db2.gz DHHWQRBXKUXIOW-UHFFFAOYSA-N 1 1 433.518 4.501 50 0 IJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CCC4CCCCC4)CC3)n2)cc1 ZINC000011027531 132337158 /nfs/dbraw/zinc/33/71/58/132337158.db2.gz ISQUIYSNUQDTLW-UHFFFAOYSA-N 1 1 437.588 4.546 50 0 IJAAMO CC(C)n1cc(C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 ZINC000012442554 519948417 /nfs/dbraw/zinc/94/84/17/519948417.db2.gz FKGHLQAQWYEVGD-UHFFFAOYSA-N 1 1 445.007 4.833 50 0 IJAAMO CCOC(=O)CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)CC ZINC000035844788 520638087 /nfs/dbraw/zinc/63/80/87/520638087.db2.gz VMIXPSROSXTXJV-NRFANRHFSA-N 1 1 442.600 4.603 50 0 IJAAMO CC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)Cc1ccccc1 ZINC000012444369 521276523 /nfs/dbraw/zinc/27/65/23/521276523.db2.gz QRAKUMATYUTYRF-UHFFFAOYSA-N 1 1 440.591 4.980 50 0 IJAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910549 521792528 /nfs/dbraw/zinc/79/25/28/521792528.db2.gz MSOLISBGNSUKRX-NRFANRHFSA-N 1 1 425.523 4.695 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000012303476 522652373 /nfs/dbraw/zinc/65/23/73/522652373.db2.gz MCAKUYFHWAWURY-IBGZPJMESA-N 1 1 433.552 4.883 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036040976 523046495 /nfs/dbraw/zinc/04/64/95/523046495.db2.gz SARAVBBHMHXLCD-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036040976 523046503 /nfs/dbraw/zinc/04/65/03/523046503.db2.gz SARAVBBHMHXLCD-VWLOTQADSA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043122 523048726 /nfs/dbraw/zinc/04/87/26/523048726.db2.gz PJSVLVUCKIHMGS-SIBVEZHUSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043122 523048733 /nfs/dbraw/zinc/04/87/33/523048733.db2.gz PJSVLVUCKIHMGS-SIBVEZHUSA-N 1 1 430.548 4.622 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCCC3)no2)cc1 ZINC000021805284 523097613 /nfs/dbraw/zinc/09/76/13/523097613.db2.gz DSWBBEBAGKJZRN-JOCHJYFZSA-N 1 1 439.943 4.961 50 0 IJAAMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000012810752 523273801 /nfs/dbraw/zinc/27/38/01/523273801.db2.gz WFIFOXKDHHJOGT-UHFFFAOYSA-N 1 1 427.476 4.656 50 0 IJAAMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000012810752 523273814 /nfs/dbraw/zinc/27/38/14/523273814.db2.gz WFIFOXKDHHJOGT-UHFFFAOYSA-N 1 1 427.476 4.656 50 0 IJAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)Cc1cccc2ncccc12 ZINC000012332076 523318499 /nfs/dbraw/zinc/31/84/99/523318499.db2.gz VGUIYGIQIBAGSV-UHFFFAOYSA-N 1 1 429.564 4.647 50 0 IJAAMO COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1Br ZINC000022294984 523764691 /nfs/dbraw/zinc/76/46/91/523764691.db2.gz FVPPJHCHLQGCTG-CHWSQXEVSA-N 1 1 438.391 4.644 50 0 IJAAMO COc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1Br ZINC000022294982 523764956 /nfs/dbraw/zinc/76/49/56/523764956.db2.gz FVPPJHCHLQGCTG-BETUJISGSA-N 1 1 438.391 4.644 50 0 IJAAMO COc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1Br ZINC000022294982 523764964 /nfs/dbraw/zinc/76/49/64/523764964.db2.gz FVPPJHCHLQGCTG-BETUJISGSA-N 1 1 438.391 4.644 50 0 IJAAMO COc1ccc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(Cl)c1OC ZINC000012717039 524002936 /nfs/dbraw/zinc/00/29/36/524002936.db2.gz RYRZMMQCTJFDEB-UHFFFAOYSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c(OC)c1 ZINC000012373738 524048005 /nfs/dbraw/zinc/04/80/05/524048005.db2.gz QOOGQQYGKUWYKO-MRXNPFEDSA-N 1 1 437.005 4.727 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c(OC)c1 ZINC000012373737 524048040 /nfs/dbraw/zinc/04/80/40/524048040.db2.gz QOOGQQYGKUWYKO-INIZCTEOSA-N 1 1 437.005 4.727 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)c(OC)c1 ZINC000012581395 524048533 /nfs/dbraw/zinc/04/85/33/524048533.db2.gz BCJHLBIRCUBAPO-HXUWFJFHSA-N 1 1 447.579 4.561 50 0 IJAAMO COc1cccc2c1OCCC[N@H+]([C@@H]1CCC(=O)N(Cc3cccc(Cl)c3)CC1)C2 ZINC000012205387 524233467 /nfs/dbraw/zinc/23/34/67/524233467.db2.gz GADKITIIJPGFEZ-OAQYLSRUSA-N 1 1 428.960 4.514 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021795330 525322848 /nfs/dbraw/zinc/32/28/48/525322848.db2.gz HBSGLJFFHASWMC-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO COc1cccc(-c2nc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)c(C)o2)c1OC ZINC000020454338 525722763 /nfs/dbraw/zinc/72/27/63/525722763.db2.gz QYXCDOBBHFCCQK-NRFANRHFSA-N 1 1 428.554 4.674 50 0 IJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)o1 ZINC000021659814 525762009 /nfs/dbraw/zinc/76/20/09/525762009.db2.gz SBHCXIULMJRJDZ-GOSISDBHSA-N 1 1 444.329 4.572 50 0 IJAAMO Cc1ccnn1-c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012589131 525768743 /nfs/dbraw/zinc/76/87/43/525768743.db2.gz VZTBSIRTPIBVRW-UHFFFAOYSA-N 1 1 436.559 4.728 50 0 IJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1C ZINC000012792161 525967866 /nfs/dbraw/zinc/96/78/66/525967866.db2.gz SEWYOTYWKNPJPT-AREMUKBSSA-N 1 1 427.548 4.513 50 0 IJAAMO CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3 ZINC000020827034 526218892 /nfs/dbraw/zinc/21/88/92/526218892.db2.gz GDGQETBLUUUGPE-UHFFFAOYSA-N 1 1 433.602 4.770 50 0 IJAAMO Fc1ccc(-n2cc(C[NH2+]Cc3cn4cccnc4n3)c(-c3ccccc3Cl)n2)cc1 ZINC000012306401 526320710 /nfs/dbraw/zinc/32/07/10/526320710.db2.gz GQICEYFEFFJOCL-UHFFFAOYSA-N 1 1 432.890 4.664 50 0 IJAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907896 526493528 /nfs/dbraw/zinc/49/35/28/526493528.db2.gz OEYUHZQHWNPSJJ-INIZCTEOSA-N 1 1 431.355 4.633 50 0 IJAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907896 526493536 /nfs/dbraw/zinc/49/35/36/526493536.db2.gz OEYUHZQHWNPSJJ-INIZCTEOSA-N 1 1 431.355 4.633 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012627772 526890901 /nfs/dbraw/zinc/89/09/01/526890901.db2.gz SLKVVSQNBVJKSO-NRFANRHFSA-N 1 1 432.597 4.839 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766000 526953138 /nfs/dbraw/zinc/95/31/38/526953138.db2.gz NZJYXQZZYDIYMA-QFIPXVFZSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766000 526953144 /nfs/dbraw/zinc/95/31/44/526953144.db2.gz NZJYXQZZYDIYMA-QFIPXVFZSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907729 526953230 /nfs/dbraw/zinc/95/32/30/526953230.db2.gz CCYWPDDAZZUVPY-NRFANRHFSA-N 1 1 426.969 4.696 50 0 IJAAMO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907729 526953234 /nfs/dbraw/zinc/95/32/34/526953234.db2.gz CCYWPDDAZZUVPY-NRFANRHFSA-N 1 1 426.969 4.696 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+](C)C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001017533 555602826 /nfs/dbraw/zinc/60/28/26/555602826.db2.gz RICWSWDTYPSAFS-HNNXBMFYSA-N 1 1 443.613 4.660 50 0 IJAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000001448854 555699592 /nfs/dbraw/zinc/69/95/92/555699592.db2.gz GWRKDIQQZWKEPJ-NRFANRHFSA-N 1 1 427.545 4.686 50 0 IJAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889687 555726613 /nfs/dbraw/zinc/72/66/13/555726613.db2.gz VJYUHELNCGWPTB-HXUWFJFHSA-N 1 1 427.508 4.865 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1Cl ZINC000034681688 555814989 /nfs/dbraw/zinc/81/49/89/555814989.db2.gz MYPKNIDMVGANQZ-UHFFFAOYSA-N 1 1 438.934 4.839 50 0 IJAAMO COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000034733409 555873402 /nfs/dbraw/zinc/87/34/02/555873402.db2.gz QXHVHMWXSJTFEW-XZOQPEGZSA-N 1 1 430.548 4.948 50 0 IJAAMO Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2C[N@H+](Cc2ccncc2)CC3)cc1 ZINC000034755685 555900768 /nfs/dbraw/zinc/90/07/68/555900768.db2.gz ZYWNDXNDSIFDCQ-UHFFFAOYSA-N 1 1 429.568 4.767 50 0 IJAAMO Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2C[N@@H+](Cc2ccncc2)CC3)cc1 ZINC000034755685 555900769 /nfs/dbraw/zinc/90/07/69/555900769.db2.gz ZYWNDXNDSIFDCQ-UHFFFAOYSA-N 1 1 429.568 4.767 50 0 IJAAMO CC(C)(C)c1cc(OC[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C(C)(C)C)c1O ZINC000004473946 555995870 /nfs/dbraw/zinc/99/58/70/555995870.db2.gz AVPFIBQDFUEDQW-GOSISDBHSA-N 1 1 434.665 4.626 50 0 IJAAMO Fc1ccc(C[NH+]2CCC(c3nc4c5c6c(sc5ncn4n3)CCC6)CC2)c(Cl)c1 ZINC000002787182 556138900 /nfs/dbraw/zinc/13/89/00/556138900.db2.gz OKWUIADFEROFLP-UHFFFAOYSA-N 1 1 441.963 5.000 50 0 IJAAMO CC(=O)c1cc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000011662294 556343916 /nfs/dbraw/zinc/34/39/16/556343916.db2.gz LPQXZQCQSMGEAM-LJQANCHMSA-N 1 1 433.017 4.560 50 0 IJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000011709586 556347793 /nfs/dbraw/zinc/34/77/93/556347793.db2.gz DENXAPPIZZNKCH-JOCHJYFZSA-N 1 1 447.579 4.987 50 0 IJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000011709586 556347796 /nfs/dbraw/zinc/34/77/96/556347796.db2.gz DENXAPPIZZNKCH-JOCHJYFZSA-N 1 1 447.579 4.987 50 0 IJAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000011838477 556363280 /nfs/dbraw/zinc/36/32/80/556363280.db2.gz WJBXZNPTDXCVCV-HXUWFJFHSA-N 1 1 431.001 4.563 50 0 IJAAMO CC(C)n1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011842365 556365991 /nfs/dbraw/zinc/36/59/91/556365991.db2.gz PCUNILOKSLAXHX-IBGZPJMESA-N 1 1 436.522 4.510 50 0 IJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000014118322 556371522 /nfs/dbraw/zinc/37/15/22/556371522.db2.gz CRXMIBDMTOYFQH-CQSZACIVSA-N 1 1 434.367 4.955 50 0 IJAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2OC(F)F)CC1)N1CCCCC1 ZINC000012004755 556386413 /nfs/dbraw/zinc/38/64/13/556386413.db2.gz BHFAHHDWWFVRNP-UHFFFAOYSA-N 1 1 444.522 4.958 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012049332 556391769 /nfs/dbraw/zinc/39/17/69/556391769.db2.gz MJOAHUVHSWDYQJ-PPJFHAJBSA-N 1 1 431.624 4.536 50 0 IJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c2ccccc2)cc1 ZINC000014239975 556400995 /nfs/dbraw/zinc/40/09/95/556400995.db2.gz ZICOERKKHJHPDU-HHHXNRCGSA-N 1 1 440.547 4.815 50 0 IJAAMO Fc1ccc(-c2csc3ncnc(NCc4ccc(C[NH+]5CCOCC5)cc4)c23)cc1 ZINC000013120362 556472344 /nfs/dbraw/zinc/47/23/44/556472344.db2.gz NAEVFDUCNAHSRI-UHFFFAOYSA-N 1 1 434.540 4.942 50 0 IJAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1cccc(-c3ccccc3C)c1)CC2)C(C)C ZINC000014988817 556473681 /nfs/dbraw/zinc/47/36/81/556473681.db2.gz GTDVXILVRKNINQ-AREMUKBSSA-N 1 1 445.611 4.535 50 0 IJAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)C2CC2)C3)s1 ZINC000014994090 556476945 /nfs/dbraw/zinc/47/69/45/556476945.db2.gz QHSDSWAOXVERJW-SFHVURJKSA-N 1 1 440.609 4.575 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000015077002 556499535 /nfs/dbraw/zinc/49/95/35/556499535.db2.gz AVSVPJPAEZUPAT-SFHVURJKSA-N 1 1 427.951 4.987 50 0 IJAAMO O=C(c1ccc2[nH]cnc2c1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015079288 556500198 /nfs/dbraw/zinc/50/01/98/556500198.db2.gz DWOVJEDIBLEOCR-OAQYLSRUSA-N 1 1 431.584 4.645 50 0 IJAAMO Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022937416 556506226 /nfs/dbraw/zinc/50/62/26/556506226.db2.gz NZALYTSLTXWZRB-XMMPIXPASA-N 1 1 428.511 4.783 50 0 IJAAMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955416 556518287 /nfs/dbraw/zinc/51/82/87/556518287.db2.gz YGQZGERLVNJQCZ-UHFFFAOYSA-N 1 1 431.323 4.894 50 0 IJAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000016183812 556587538 /nfs/dbraw/zinc/58/75/38/556587538.db2.gz WUEMTZNLFJLWQC-KRWDZBQOSA-N 1 1 429.775 4.517 50 0 IJAAMO COc1ccc(C[C@H]([NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694981 556628621 /nfs/dbraw/zinc/62/86/21/556628621.db2.gz OIVBKIFJXRMZRF-OSPHWJPCSA-N 1 1 429.520 4.575 50 0 IJAAMO CC(C)CCN1CC[C@@H]([N@@H+]2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000039509775 556629382 /nfs/dbraw/zinc/62/93/82/556629382.db2.gz YSAUPWXIHXWENX-BDYUSTAISA-N 1 1 425.661 4.792 50 0 IJAAMO CC(C)CCN1CC[C@@H]([N@H+]2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000039509775 556629384 /nfs/dbraw/zinc/62/93/84/556629384.db2.gz YSAUPWXIHXWENX-BDYUSTAISA-N 1 1 425.661 4.792 50 0 IJAAMO OCCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1 ZINC000042942824 556660147 /nfs/dbraw/zinc/66/01/47/556660147.db2.gz WPQLGTSFOAQLHI-IBGZPJMESA-N 1 1 445.485 4.846 50 0 IJAAMO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CO1 ZINC000043746998 556665053 /nfs/dbraw/zinc/66/50/53/556665053.db2.gz BSKACKTYAIEHIH-RDPSFJRHSA-N 1 1 430.548 4.876 50 0 IJAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)cc3)c[nH+]c3ccc(OCC)cc32)CC1 ZINC000036102750 556719925 /nfs/dbraw/zinc/71/99/25/556719925.db2.gz AAKCNVVKYIKUMS-UHFFFAOYSA-N 1 1 446.547 4.952 50 0 IJAAMO Cc1ccccc1-c1ncc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000055054504 556732970 /nfs/dbraw/zinc/73/29/70/556732970.db2.gz WQJBSJKYORWZIT-QHCPKHFHSA-N 1 1 432.587 4.978 50 0 IJAAMO Cc1nn(C)c(Cl)c1CN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055119546 556735236 /nfs/dbraw/zinc/73/52/36/556735236.db2.gz XYHOTFSTMHUBPB-OAQYLSRUSA-N 1 1 430.040 4.824 50 0 IJAAMO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183191 556737143 /nfs/dbraw/zinc/73/71/43/556737143.db2.gz SCTBNSAPSCMRSO-VWLOTQADSA-N 1 1 443.522 4.887 50 0 IJAAMO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183191 556737146 /nfs/dbraw/zinc/73/71/46/556737146.db2.gz SCTBNSAPSCMRSO-VWLOTQADSA-N 1 1 443.522 4.887 50 0 IJAAMO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183192 556737303 /nfs/dbraw/zinc/73/73/03/556737303.db2.gz SCTBNSAPSCMRSO-RUZDIDTESA-N 1 1 443.522 4.887 50 0 IJAAMO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183192 556737307 /nfs/dbraw/zinc/73/73/07/556737307.db2.gz SCTBNSAPSCMRSO-RUZDIDTESA-N 1 1 443.522 4.887 50 0 IJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218750 556741321 /nfs/dbraw/zinc/74/13/21/556741321.db2.gz IHCWICSXMPBRIK-ZTCOLXNVSA-N 1 1 428.960 4.655 50 0 IJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218750 556741323 /nfs/dbraw/zinc/74/13/23/556741323.db2.gz IHCWICSXMPBRIK-ZTCOLXNVSA-N 1 1 428.960 4.655 50 0 IJAAMO O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058229421 556774059 /nfs/dbraw/zinc/77/40/59/556774059.db2.gz RHEJUUXEBNPEKU-FQEVSTJZSA-N 1 1 432.486 4.699 50 0 IJAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc3c(n21)CCCC3 ZINC000033068910 556833770 /nfs/dbraw/zinc/83/37/70/556833770.db2.gz GIRHDQXQFOJMNJ-UHFFFAOYSA-N 1 1 433.552 4.976 50 0 IJAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc3c(n21)CCCC3 ZINC000033068910 556833774 /nfs/dbraw/zinc/83/37/74/556833774.db2.gz GIRHDQXQFOJMNJ-UHFFFAOYSA-N 1 1 433.552 4.976 50 0 IJAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000004676620 556873029 /nfs/dbraw/zinc/87/30/29/556873029.db2.gz ANJHWVPBUOOGGO-UHFFFAOYSA-N 1 1 427.614 4.956 50 0 IJAAMO O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033252433 556893257 /nfs/dbraw/zinc/89/32/57/556893257.db2.gz PKPIOEXZMNRUFW-UHFFFAOYSA-N 1 1 442.494 4.501 50 0 IJAAMO COc1ccc([C@H](O)C[N@@H+]2CCc3c(nc(Cc4ccccc4)n3-c3ccccc3)C2)cc1 ZINC000019825163 556925956 /nfs/dbraw/zinc/92/59/56/556925956.db2.gz REKDRJILYCFJTR-HHHXNRCGSA-N 1 1 439.559 4.563 50 0 IJAAMO COc1ccc([C@H](O)C[N@H+]2CCc3c(nc(Cc4ccccc4)n3-c3ccccc3)C2)cc1 ZINC000019825163 556925961 /nfs/dbraw/zinc/92/59/61/556925961.db2.gz REKDRJILYCFJTR-HHHXNRCGSA-N 1 1 439.559 4.563 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838625 556928702 /nfs/dbraw/zinc/92/87/02/556928702.db2.gz SBRZOABCDOZADF-MRXNPFEDSA-N 1 1 428.989 4.665 50 0 IJAAMO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838625 556928703 /nfs/dbraw/zinc/92/87/03/556928703.db2.gz SBRZOABCDOZADF-MRXNPFEDSA-N 1 1 428.989 4.665 50 0 IJAAMO COc1cc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000019841012 556929391 /nfs/dbraw/zinc/92/93/91/556929391.db2.gz VXGJTMYACOZJHX-UHFFFAOYSA-N 1 1 447.604 4.808 50 0 aggregator IJAAMO COc1ccc(OC)c(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019907620 556942672 /nfs/dbraw/zinc/94/26/72/556942672.db2.gz AHDJOAKBGLNAJX-UHFFFAOYSA-N 1 1 447.604 4.808 50 0 IJAAMO O=C1CC[C@@H]2C[N@H+](C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1CCc1cccc(F)c1 ZINC000020135530 556988288 /nfs/dbraw/zinc/98/82/88/556988288.db2.gz ZIXKDCVBHWEVCE-IPEZJBKESA-N 1 1 426.963 4.961 50 0 IJAAMO c1ccc(CCc2nnc3n2CC[N@H+](Cc2ccc(OCc4ccccc4)cc2)CC3)cc1 ZINC000020136998 556988473 /nfs/dbraw/zinc/98/84/73/556988473.db2.gz NJYBKBGTPRHPKK-UHFFFAOYSA-N 1 1 438.575 4.701 50 0 IJAAMO O=C(c1cc(-c2ccccc2O)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137678 556988757 /nfs/dbraw/zinc/98/87/57/556988757.db2.gz LKHRWYIYRTZKGL-UHFFFAOYSA-N 1 1 439.515 4.595 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164686 556994616 /nfs/dbraw/zinc/99/46/16/556994616.db2.gz POPRSSXUIMKIPQ-VXKWHMMOSA-N 1 1 446.954 4.807 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164686 556994619 /nfs/dbraw/zinc/99/46/19/556994619.db2.gz POPRSSXUIMKIPQ-VXKWHMMOSA-N 1 1 446.954 4.807 50 0 IJAAMO CC(=O)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020266218 557004826 /nfs/dbraw/zinc/00/48/26/557004826.db2.gz SCZNSBZJOCRNSF-UHFFFAOYSA-N 1 1 429.589 4.993 50 0 IJAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000020347244 557008673 /nfs/dbraw/zinc/00/86/73/557008673.db2.gz NSBWLFGCEBQUNI-UHFFFAOYSA-N 1 1 439.559 4.583 50 0 IJAAMO COC(=O)c1cc(C)sc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020344864 557008682 /nfs/dbraw/zinc/00/86/82/557008682.db2.gz JCXNGFCIZIVPRG-UHFFFAOYSA-N 1 1 449.576 4.782 50 0 IJAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)C1 ZINC000060207145 557028636 /nfs/dbraw/zinc/02/86/36/557028636.db2.gz RJZACSUAZGAWFS-OAHLLOKOSA-N 1 1 435.399 4.907 50 0 IJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)[nH+]c(C)n1 ZINC000033324504 557106396 /nfs/dbraw/zinc/10/63/96/557106396.db2.gz GHFGJEBYVYPWCB-UHFFFAOYSA-N 1 1 439.585 4.792 50 0 IJAAMO O=C(c1cnc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025719679 557223246 /nfs/dbraw/zinc/22/32/46/557223246.db2.gz AGDIFHQAJTUPNQ-UHFFFAOYSA-N 1 1 426.347 4.936 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051857 557417003 /nfs/dbraw/zinc/41/70/03/557417003.db2.gz QAEKULLGPXRQHZ-CCLHPLFOSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051857 557417006 /nfs/dbraw/zinc/41/70/06/557417006.db2.gz QAEKULLGPXRQHZ-CCLHPLFOSA-N 1 1 444.575 4.930 50 0 IJAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)s2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050638 557474726 /nfs/dbraw/zinc/47/47/26/557474726.db2.gz FREXFTFKRLNKLL-NZQKXSOJSA-N 1 1 432.605 4.542 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479895 557543021 /nfs/dbraw/zinc/54/30/21/557543021.db2.gz POPRSSXUIMKIPQ-FCHUYYIVSA-N 1 1 446.954 4.807 50 0 IJAAMO CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479895 557543022 /nfs/dbraw/zinc/54/30/22/557543022.db2.gz POPRSSXUIMKIPQ-FCHUYYIVSA-N 1 1 446.954 4.807 50 0 IJAAMO CC[C@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)[NH+](C)C ZINC000239667831 557845085 /nfs/dbraw/zinc/84/50/85/557845085.db2.gz BRROHCAMCVLOSP-HIFRSBDPSA-N 1 1 444.454 4.595 50 0 IJAAMO CCOCCCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590232 562951545 /nfs/dbraw/zinc/95/15/45/562951545.db2.gz NICYXEQBZGHBJY-FQEVSTJZSA-N 1 1 446.661 4.730 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000015825021 563018113 /nfs/dbraw/zinc/01/81/13/563018113.db2.gz PULHAZPGEQGVFB-UHFFFAOYSA-N 1 1 436.947 4.845 50 0 IJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982567 568623186 /nfs/dbraw/zinc/62/31/86/568623186.db2.gz NJSNTGVKUMOAHD-JWQCQUIFSA-N 1 1 434.967 4.939 50 0 IJAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671335 568802841 /nfs/dbraw/zinc/80/28/41/568802841.db2.gz AHYOJEULQVFUDS-UHFFFAOYSA-N 1 1 437.569 4.546 50 0 IJAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc1CC2 ZINC000015781666 568825930 /nfs/dbraw/zinc/82/59/30/568825930.db2.gz RUXSTUKHYUNOJD-KRWDZBQOSA-N 1 1 434.609 4.612 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801096 568960696 /nfs/dbraw/zinc/96/06/96/568960696.db2.gz ADGIOMOPQNEKCP-UHFFFAOYSA-N 1 1 439.519 4.771 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147219 568962543 /nfs/dbraw/zinc/96/25/43/568962543.db2.gz BEOUDJBUXCHTII-DQEYMECFSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147219 568962544 /nfs/dbraw/zinc/96/25/44/568962544.db2.gz BEOUDJBUXCHTII-DQEYMECFSA-N 1 1 448.538 4.569 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC ZINC000169680335 568990784 /nfs/dbraw/zinc/99/07/84/568990784.db2.gz RRIFMYKKDRAVIV-NZQKXSOJSA-N 1 1 437.584 4.889 50 0 IJAAMO CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344006 569080003 /nfs/dbraw/zinc/08/00/03/569080003.db2.gz ZBWTWBUQXQSWDJ-QHCPKHFHSA-N 1 1 425.960 4.902 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000036390808 569097015 /nfs/dbraw/zinc/09/70/15/569097015.db2.gz FKCWXUXOCPKNTA-UHFFFAOYSA-N 1 1 432.568 4.649 50 0 IJAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396180 569098942 /nfs/dbraw/zinc/09/89/42/569098942.db2.gz UOPDKYAWMCUXJI-HSZRJFAPSA-N 1 1 434.536 4.663 50 0 IJAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396180 569098944 /nfs/dbraw/zinc/09/89/44/569098944.db2.gz UOPDKYAWMCUXJI-HSZRJFAPSA-N 1 1 434.536 4.663 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2oc1-c1ccccc1 ZINC000170613656 569146155 /nfs/dbraw/zinc/14/61/55/569146155.db2.gz NDLVQNHULRWCPT-REWPJTCUSA-N 1 1 430.548 4.763 50 0 IJAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000089702552 569161816 /nfs/dbraw/zinc/16/18/16/569161816.db2.gz KAYDJACMHYIYFE-HLAWJBBLSA-N 1 1 436.506 4.659 50 0 IJAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711477 569189555 /nfs/dbraw/zinc/18/95/55/569189555.db2.gz SNFFDNCEKXOAHT-RRPNLBNLSA-N 1 1 442.603 4.968 50 0 IJAAMO COc1ccc(C[C@@H]2c3cc(OC)c(OC(=O)c4ccccc4)cc3CC[N@@H+]2C)cc1OC ZINC000019910097 569257169 /nfs/dbraw/zinc/25/71/69/569257169.db2.gz LMIHIXIVXAJHEY-JOCHJYFZSA-N 1 1 447.531 4.703 50 0 IJAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000013120785 569311144 /nfs/dbraw/zinc/31/11/44/569311144.db2.gz JROIOXMOKUJDTF-PXDATVDWSA-N 1 1 431.561 4.533 50 0 IJAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000013120785 569311145 /nfs/dbraw/zinc/31/11/45/569311145.db2.gz JROIOXMOKUJDTF-PXDATVDWSA-N 1 1 431.561 4.533 50 0 IJAAMO Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793455 569329395 /nfs/dbraw/zinc/32/93/95/569329395.db2.gz DJETZAIELROOFP-UHFFFAOYSA-N 1 1 441.550 4.883 50 0 IJAAMO CCOc1ccc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276604 569388644 /nfs/dbraw/zinc/38/86/44/569388644.db2.gz JOANVWUSCZCOJP-NRFANRHFSA-N 1 1 439.987 4.906 50 0 IJAAMO CCOc1cc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1OC(F)F ZINC000096308985 569392274 /nfs/dbraw/zinc/39/22/74/569392274.db2.gz AXAGNAISTOHSFI-UITAMQMPSA-N 1 1 431.414 4.972 50 0 IJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000096343839 569396879 /nfs/dbraw/zinc/39/68/79/569396879.db2.gz LZZAOCRBQCFRGS-HOYKHHGWSA-N 1 1 449.982 4.638 50 0 IJAAMO FC(F)(F)c1ccc(N2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)nc1 ZINC000029188497 569428631 /nfs/dbraw/zinc/42/86/31/569428631.db2.gz TZNAANDNJLFIMK-UHFFFAOYSA-N 1 1 437.853 4.516 50 0 IJAAMO FC(F)(F)c1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)nc1 ZINC000029188497 569428632 /nfs/dbraw/zinc/42/86/32/569428632.db2.gz TZNAANDNJLFIMK-UHFFFAOYSA-N 1 1 437.853 4.516 50 0 IJAAMO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057015956 569429145 /nfs/dbraw/zinc/42/91/45/569429145.db2.gz BEOGQCISYQTHMW-MBSDFSHPSA-N 1 1 438.572 4.961 50 0 IJAAMO C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057015957 569429164 /nfs/dbraw/zinc/42/91/64/569429164.db2.gz BEOGQCISYQTHMW-JPYJTQIMSA-N 1 1 438.572 4.961 50 0 IJAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057327433 569431189 /nfs/dbraw/zinc/43/11/89/569431189.db2.gz FUNYTJKXJQXORJ-XMMPIXPASA-N 1 1 434.561 4.650 50 0 IJAAMO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882504 569437511 /nfs/dbraw/zinc/43/75/11/569437511.db2.gz DQDQENRPVWQMIW-VMPITWQZSA-N 1 1 438.877 4.521 50 0 IJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051374 569484436 /nfs/dbraw/zinc/48/44/36/569484436.db2.gz ZLFBQBDCLZERTN-FQEVSTJZSA-N 1 1 440.547 4.725 50 0 IJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051374 569484437 /nfs/dbraw/zinc/48/44/37/569484437.db2.gz ZLFBQBDCLZERTN-FQEVSTJZSA-N 1 1 440.547 4.725 50 0 IJAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152940 569507955 /nfs/dbraw/zinc/50/79/55/569507955.db2.gz CJJQVJYBPIMLRX-UHFFFAOYSA-N 1 1 448.998 4.718 50 0 IJAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152940 569507956 /nfs/dbraw/zinc/50/79/56/569507956.db2.gz CJJQVJYBPIMLRX-UHFFFAOYSA-N 1 1 448.998 4.718 50 0 IJAAMO CCCC[N@@H+](CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccco1 ZINC000009227573 569513480 /nfs/dbraw/zinc/51/34/80/569513480.db2.gz IDJMPJDJCKVDQP-UHFFFAOYSA-N 1 1 438.572 4.674 50 0 IJAAMO Fc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)ccc1Cl ZINC000009293549 569520254 /nfs/dbraw/zinc/52/02/54/569520254.db2.gz WQFFPBVYTVNRFG-VXKWHMMOSA-N 1 1 431.858 4.678 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@H](c1ccc(Cl)cc1)O2 ZINC000009293545 569520257 /nfs/dbraw/zinc/52/02/57/569520257.db2.gz KQGFMGGWTVMSPE-PKTZIBPZSA-N 1 1 427.895 4.848 50 0 IJAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@@H+](Cc3ccco3)C3CCCC3)c1CO2 ZINC000009439960 569535137 /nfs/dbraw/zinc/53/51/37/569535137.db2.gz HBXCAQSNPOOJFS-UHFFFAOYSA-N 1 1 435.524 4.700 50 0 IJAAMO COc1ccccc1Nc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c2ccccc2n1 ZINC000009680915 569560190 /nfs/dbraw/zinc/56/01/90/569560190.db2.gz YRBICFNXUJOXSY-UHFFFAOYSA-N 1 1 440.547 4.849 50 0 IJAAMO CC(C)c1nc(CNCc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cs1 ZINC000012710304 519863533 /nfs/dbraw/zinc/86/35/33/519863533.db2.gz PDWDBDJXESJOFX-QFIPXVFZSA-N 1 1 431.646 4.561 50 0 IJAAMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796506 519869365 /nfs/dbraw/zinc/86/93/65/519869365.db2.gz IZNUOILQIFREIH-UHFFFAOYSA-N 1 1 443.526 4.675 50 0 IJAAMO CCCCc1ncc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]1 ZINC000020776204 521294980 /nfs/dbraw/zinc/29/49/80/521294980.db2.gz YPWYYDVXMRMLFK-QFIPXVFZSA-N 1 1 449.565 4.558 50 0 IJAAMO C[N@@H+](CCCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)Cc1ccccc1 ZINC000035559899 522767997 /nfs/dbraw/zinc/76/79/97/522767997.db2.gz LJXZWUUCFFYDRC-UHFFFAOYSA-N 1 1 446.982 4.990 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041045 523036719 /nfs/dbraw/zinc/03/67/19/523036719.db2.gz YYHXTQNVXMASIW-XMMPIXPASA-N 1 1 430.548 4.542 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041045 523036729 /nfs/dbraw/zinc/03/67/29/523036729.db2.gz YYHXTQNVXMASIW-XMMPIXPASA-N 1 1 430.548 4.542 50 0 IJAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)c(OC)c1 ZINC000012468610 523200404 /nfs/dbraw/zinc/20/04/04/523200404.db2.gz UDLRAQPPHWSXIT-UHFFFAOYSA-N 1 1 426.488 4.850 50 0 IJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045723 523717658 /nfs/dbraw/zinc/71/76/58/523717658.db2.gz JFRXLBHXWRBDBF-RUZDIDTESA-N 1 1 434.605 4.891 50 0 IJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045723 523717665 /nfs/dbraw/zinc/71/76/65/523717665.db2.gz JFRXLBHXWRBDBF-RUZDIDTESA-N 1 1 434.605 4.891 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c(OC)c1 ZINC000012596095 524047951 /nfs/dbraw/zinc/04/79/51/524047951.db2.gz YKDNCLGCGCSJIF-FQEVSTJZSA-N 1 1 447.579 4.561 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012459606 524048274 /nfs/dbraw/zinc/04/82/74/524048274.db2.gz QXRQPFZHLNKABJ-GOSISDBHSA-N 1 1 430.976 4.666 50 0 IJAAMO COc1ccc(C[C@@H]([NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694978 524140352 /nfs/dbraw/zinc/14/03/52/524140352.db2.gz OIVBKIFJXRMZRF-BXKMTCNYSA-N 1 1 429.520 4.575 50 0 IJAAMO Cc1cccc(NC(=O)C[N@H+](C)CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000012931871 524590933 /nfs/dbraw/zinc/59/09/33/524590933.db2.gz ZLPBGFZUGZCCNB-UHFFFAOYSA-N 1 1 446.473 4.875 50 0 IJAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000012931871 524590941 /nfs/dbraw/zinc/59/09/41/524590941.db2.gz ZLPBGFZUGZCCNB-UHFFFAOYSA-N 1 1 446.473 4.875 50 0 IJAAMO COc1ccccc1[C@H](CNC(=O)c1sc(-c2cccs2)nc1C)[NH+]1CCCC1 ZINC000022680219 524794269 /nfs/dbraw/zinc/79/42/69/524794269.db2.gz AXOGLHAFGBGIPW-KRWDZBQOSA-N 1 1 427.595 4.756 50 0 IJAAMO C[C@@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@@H](C)O1 ZINC000020590795 524958573 /nfs/dbraw/zinc/95/85/73/524958573.db2.gz BIZAJYNCAAMPKZ-HZPDHXFCSA-N 1 1 427.932 4.591 50 0 IJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1C ZINC000012792157 525773247 /nfs/dbraw/zinc/77/32/47/525773247.db2.gz SEWYOTYWKNPJPT-SANMLTNESA-N 1 1 427.548 4.513 50 0 IJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000012376955 526421062 /nfs/dbraw/zinc/42/10/62/526421062.db2.gz WNSAZITZPZMZJI-FXAWDEMLSA-N 1 1 440.494 4.755 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1)NCc1ccccc1F ZINC000012299855 526553915 /nfs/dbraw/zinc/55/39/15/526553915.db2.gz STPJXOUECRTTFY-IBGZPJMESA-N 1 1 426.580 4.905 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000012308872 526728670 /nfs/dbraw/zinc/72/86/70/526728670.db2.gz QYJUUELOVFSIJP-UHFFFAOYSA-N 1 1 441.915 4.608 50 0 IJAAMO O=C(NN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000012559457 526842855 /nfs/dbraw/zinc/84/28/55/526842855.db2.gz UCHXOPYBZXEVCW-UHFFFAOYSA-N 1 1 439.481 4.835 50 0 IJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012627774 526890256 /nfs/dbraw/zinc/89/02/56/526890256.db2.gz SLKVVSQNBVJKSO-OAQYLSRUSA-N 1 1 432.597 4.839 50 0 IJAAMO O=C(c1nc2sccn2c1C[NH+]1CCC(c2ccncc2)CC1)N1CCCCCCC1 ZINC000012447044 526917410 /nfs/dbraw/zinc/91/74/10/526917410.db2.gz HMQCACGTKLEJFK-UHFFFAOYSA-N 1 1 437.613 4.577 50 0 IJAAMO Cc1[nH+]ccn1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000012601150 527390013 /nfs/dbraw/zinc/39/00/13/527390013.db2.gz FSKDYDSAYVZZJB-UHFFFAOYSA-N 1 1 428.945 4.676 50 0 IJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031434 527659291 /nfs/dbraw/zinc/65/92/91/527659291.db2.gz GMMUDEGXZUZEBF-OAQYLSRUSA-N 1 1 425.912 4.511 50 0 IJAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034683694 555819137 /nfs/dbraw/zinc/81/91/37/555819137.db2.gz IWEVIFWJEBXGOB-UHFFFAOYSA-N 1 1 428.529 4.587 50 0 IJAAMO COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000034733418 555873430 /nfs/dbraw/zinc/87/34/30/555873430.db2.gz QXHVHMWXSJTFEW-PKTZIBPZSA-N 1 1 430.548 4.948 50 0 IJAAMO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000034807271 555907915 /nfs/dbraw/zinc/90/79/15/555907915.db2.gz NXPZNUXKWLSULU-BIUWRGFISA-N 1 1 448.522 4.642 50 0 biogenic IJAAMO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000034807271 555907917 /nfs/dbraw/zinc/90/79/17/555907917.db2.gz NXPZNUXKWLSULU-BIUWRGFISA-N 1 1 448.522 4.642 50 0 biogenic IJAAMO O=C(c1n[nH]c2ccccc21)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011662289 556344010 /nfs/dbraw/zinc/34/40/10/556344010.db2.gz DMGQLIWOWYMIKX-NRFANRHFSA-N 1 1 431.584 4.645 50 0 IJAAMO O=C(c1[nH]nc2ccccc21)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011662289 556344013 /nfs/dbraw/zinc/34/40/13/556344013.db2.gz DMGQLIWOWYMIKX-NRFANRHFSA-N 1 1 431.584 4.645 50 0 IJAAMO O=C(c1[nH]nc2ccccc21)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011662289 556344017 /nfs/dbraw/zinc/34/40/17/556344017.db2.gz DMGQLIWOWYMIKX-NRFANRHFSA-N 1 1 431.584 4.645 50 0 IJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818252 556360442 /nfs/dbraw/zinc/36/04/42/556360442.db2.gz NJZLUDNURUEYRR-OAHLLOKOSA-N 1 1 430.961 4.616 50 0 IJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818252 556360445 /nfs/dbraw/zinc/36/04/45/556360445.db2.gz NJZLUDNURUEYRR-OAHLLOKOSA-N 1 1 430.961 4.616 50 0 IJAAMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011821024 556362317 /nfs/dbraw/zinc/36/23/17/556362317.db2.gz GTQPSQQYDXYJFH-ISBBRVAOSA-N 1 1 447.623 4.795 50 0 IJAAMO CCCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012022057 556386993 /nfs/dbraw/zinc/38/69/93/556386993.db2.gz PVOMHWQKAKFWDU-HSZRJFAPSA-N 1 1 444.579 4.955 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073880 556396708 /nfs/dbraw/zinc/39/67/08/556396708.db2.gz QVJSOVJELVVJAJ-QHCPKHFHSA-N 1 1 446.547 4.851 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073880 556396711 /nfs/dbraw/zinc/39/67/11/556396711.db2.gz QVJSOVJELVVJAJ-QHCPKHFHSA-N 1 1 446.547 4.851 50 0 IJAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000014238387 556400242 /nfs/dbraw/zinc/40/02/42/556400242.db2.gz FSUBNWJVMYDHSU-GAJHUEQPSA-N 1 1 427.591 4.790 50 0 IJAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000014238387 556400246 /nfs/dbraw/zinc/40/02/46/556400246.db2.gz FSUBNWJVMYDHSU-GAJHUEQPSA-N 1 1 427.591 4.790 50 0 IJAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1C ZINC000012302410 556403324 /nfs/dbraw/zinc/40/33/24/556403324.db2.gz NFTYPUCRQOSTLA-NRFANRHFSA-N 1 1 431.536 4.989 50 0 IJAAMO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032622810 556410226 /nfs/dbraw/zinc/41/02/26/556410226.db2.gz NIEXGJZEZPDUFQ-QFIPXVFZSA-N 1 1 439.943 4.961 50 0 IJAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000014885329 556455161 /nfs/dbraw/zinc/45/51/61/556455161.db2.gz KZTGDIIYCQAUDW-JOCHJYFZSA-N 1 1 449.620 4.749 50 0 IJAAMO Cc1nn(C)cc1C[N@@H+](C)C1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000014974321 556467773 /nfs/dbraw/zinc/46/77/73/556467773.db2.gz WRUYQKUMVFUHPS-UHFFFAOYSA-N 1 1 445.611 4.698 50 0 IJAAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 ZINC000013115643 556468208 /nfs/dbraw/zinc/46/82/08/556468208.db2.gz JLSZHOAUCUWGIF-UHFFFAOYSA-N 1 1 431.927 4.581 50 0 IJAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 ZINC000013115643 556468212 /nfs/dbraw/zinc/46/82/12/556468212.db2.gz JLSZHOAUCUWGIF-UHFFFAOYSA-N 1 1 431.927 4.581 50 0 IJAAMO Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1 ZINC000014980627 556470549 /nfs/dbraw/zinc/47/05/49/556470549.db2.gz BISQGTOCBWDVHM-STIKNRRDSA-N 1 1 433.021 4.546 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1 ZINC000015071860 556496665 /nfs/dbraw/zinc/49/66/65/556496665.db2.gz VZRTTXLLMQBWSE-HXUWFJFHSA-N 1 1 438.597 4.504 50 0 IJAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077509 556499538 /nfs/dbraw/zinc/49/95/38/556499538.db2.gz CEVXFPXCJJVYRI-FQEVSTJZSA-N 1 1 431.536 4.564 50 0 IJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077509 556499539 /nfs/dbraw/zinc/49/95/39/556499539.db2.gz CEVXFPXCJJVYRI-FQEVSTJZSA-N 1 1 431.536 4.564 50 0 IJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077507 556499545 /nfs/dbraw/zinc/49/95/45/556499545.db2.gz CEVXFPXCJJVYRI-HXUWFJFHSA-N 1 1 431.536 4.564 50 0 IJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077507 556499546 /nfs/dbraw/zinc/49/95/46/556499546.db2.gz CEVXFPXCJJVYRI-HXUWFJFHSA-N 1 1 431.536 4.564 50 0 IJAAMO Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022937419 556506188 /nfs/dbraw/zinc/50/61/88/556506188.db2.gz NZALYTSLTXWZRB-DEOSSOPVSA-N 1 1 428.511 4.783 50 0 IJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302884 556596191 /nfs/dbraw/zinc/59/61/91/556596191.db2.gz PYQVLDXUFVBMIH-JOCHJYFZSA-N 1 1 437.584 4.836 50 0 IJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302884 556596194 /nfs/dbraw/zinc/59/61/94/556596194.db2.gz PYQVLDXUFVBMIH-JOCHJYFZSA-N 1 1 437.584 4.836 50 0 IJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302881 556596359 /nfs/dbraw/zinc/59/63/59/556596359.db2.gz PYQVLDXUFVBMIH-QFIPXVFZSA-N 1 1 437.584 4.836 50 0 IJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302881 556596361 /nfs/dbraw/zinc/59/63/61/556596361.db2.gz PYQVLDXUFVBMIH-QFIPXVFZSA-N 1 1 437.584 4.836 50 0 IJAAMO C[NH+]1CCN(C(=S)c2cn(CCOc3cccc4ccccc43)c3ccccc23)CC1 ZINC000016294414 556598882 /nfs/dbraw/zinc/59/88/82/556598882.db2.gz KUKRNMWZITYFRQ-UHFFFAOYSA-N 1 1 429.589 4.796 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011841134 556660186 /nfs/dbraw/zinc/66/01/86/556660186.db2.gz UVNFKLXETLQJHB-NRFANRHFSA-N 1 1 446.060 4.738 50 0 IJAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133419 556735803 /nfs/dbraw/zinc/73/58/03/556735803.db2.gz NLCXYBYOMZRXHQ-FQEVSTJZSA-N 1 1 436.518 4.806 50 0 IJAAMO CC(=O)c1c(C)cc(C)c(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCN(C(C)=O)CC2)c1C ZINC000058014320 556753369 /nfs/dbraw/zinc/75/33/69/556753369.db2.gz DVHVJUAGKYIISS-UHFFFAOYSA-N 1 1 448.607 4.762 50 0 IJAAMO CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1C[NH2+][C@H](CC)c1cccs1 ZINC000019795217 556916298 /nfs/dbraw/zinc/91/62/98/556916298.db2.gz PQDIZYBNECSZGZ-OAHLLOKOSA-N 1 1 426.567 4.961 50 0 IJAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000076973251 556995362 /nfs/dbraw/zinc/99/53/62/556995362.db2.gz YMIFZZNGDDPLSL-SFHVURJKSA-N 1 1 425.529 4.809 50 0 IJAAMO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000020193514 556996899 /nfs/dbraw/zinc/99/68/99/556996899.db2.gz PMNWGMNJCRIDQV-HSZRJFAPSA-N 1 1 434.609 4.739 50 0 IJAAMO COc1ccccc1[C@@H]1[NH+]=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000020345699 557008770 /nfs/dbraw/zinc/00/87/70/557008770.db2.gz INECUPANMLATPL-XMMPIXPASA-N 1 1 443.551 4.550 50 0 IJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000046053267 557026125 /nfs/dbraw/zinc/02/61/25/557026125.db2.gz MJTUNRIJVVOFIP-UHFFFAOYSA-N 1 1 441.457 4.510 50 0 IJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181234 557045401 /nfs/dbraw/zinc/04/54/01/557045401.db2.gz MWWGIONUPWDDSS-YADARESESA-N 1 1 437.584 4.565 50 0 IJAAMO COc1cccc(CN2CC[C@H]([N@@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)CCC2=O)c1 ZINC000023543970 557097379 /nfs/dbraw/zinc/09/73/79/557097379.db2.gz DRFLMNULGKRQTG-SIKLNZKXSA-N 1 1 432.568 4.659 50 0 IJAAMO COc1cccc(CN2CC[C@@H]([N@@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)CCC2=O)c1 ZINC000023543966 557097450 /nfs/dbraw/zinc/09/74/50/557097450.db2.gz DRFLMNULGKRQTG-UGKGYDQZSA-N 1 1 432.568 4.659 50 0 IJAAMO O=C(C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000024993273 557188346 /nfs/dbraw/zinc/18/83/46/557188346.db2.gz GQZJAAKKEAYNII-HHHXNRCGSA-N 1 1 439.515 4.877 50 0 IJAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1C ZINC000023844122 557375942 /nfs/dbraw/zinc/37/59/42/557375942.db2.gz LKAXNIXBZBZXJO-GJZUVCINSA-N 1 1 445.588 4.955 50 0 IJAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1C ZINC000023844122 557375945 /nfs/dbraw/zinc/37/59/45/557375945.db2.gz LKAXNIXBZBZXJO-GJZUVCINSA-N 1 1 445.588 4.955 50 0 IJAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000023936648 557387703 /nfs/dbraw/zinc/38/77/03/557387703.db2.gz DLOZVYURQJFVFG-QFIPXVFZSA-N 1 1 445.588 4.619 50 0 IJAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000023936648 557387705 /nfs/dbraw/zinc/38/77/05/557387705.db2.gz DLOZVYURQJFVFG-QFIPXVFZSA-N 1 1 445.588 4.619 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000105631912 557509659 /nfs/dbraw/zinc/50/96/59/557509659.db2.gz YAJBWTDBXLOXGX-HKUYNNGSSA-N 1 1 426.582 4.758 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000105631912 557509661 /nfs/dbraw/zinc/50/96/61/557509661.db2.gz YAJBWTDBXLOXGX-HKUYNNGSSA-N 1 1 426.582 4.758 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000229694523 557833033 /nfs/dbraw/zinc/83/30/33/557833033.db2.gz YAJBWTDBXLOXGX-MJGOQNOKSA-N 1 1 426.582 4.758 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000229694523 557833036 /nfs/dbraw/zinc/83/30/36/557833036.db2.gz YAJBWTDBXLOXGX-MJGOQNOKSA-N 1 1 426.582 4.758 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982996 568623993 /nfs/dbraw/zinc/62/39/93/568623993.db2.gz KKUCECPWFGEDIC-WOJBJXKFSA-N 1 1 448.966 4.650 50 0 IJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983530 568624027 /nfs/dbraw/zinc/62/40/27/568624027.db2.gz RRIOKYSTFVNGIJ-JWQCQUIFSA-N 1 1 434.967 4.939 50 0 IJAAMO Cc1ccc(NC(=O)CN2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000084133385 568793931 /nfs/dbraw/zinc/79/39/31/568793931.db2.gz YGHOYUXPBHHCRR-UHFFFAOYSA-N 1 1 433.518 4.857 50 0 IJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000015669152 568801668 /nfs/dbraw/zinc/80/16/68/568801668.db2.gz WJAIYCVKDRWVBV-UHFFFAOYSA-N 1 1 437.931 4.670 50 0 IJAAMO COc1cccc(CN2CC[C@@H]([N@@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)CCC2=O)c1 ZINC000104846236 568837336 /nfs/dbraw/zinc/83/73/36/568837336.db2.gz DRFLMNULGKRQTG-KNQAVFIVSA-N 1 1 432.568 4.659 50 0 IJAAMO COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000013008786 568899730 /nfs/dbraw/zinc/89/97/30/568899730.db2.gz MMCXOQXYBKJPIB-HSZRJFAPSA-N 1 1 449.526 4.927 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245312330 568914751 /nfs/dbraw/zinc/91/47/51/568914751.db2.gz UJXHMWBWBXEYSW-DXBBTUNJSA-N 1 1 448.950 4.779 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245312330 568914753 /nfs/dbraw/zinc/91/47/53/568914753.db2.gz UJXHMWBWBXEYSW-DXBBTUNJSA-N 1 1 448.950 4.779 50 0 IJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036096018 568951545 /nfs/dbraw/zinc/95/15/45/568951545.db2.gz UXXSAGWARRZNRR-HSZRJFAPSA-N 1 1 439.527 4.593 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801548 568961466 /nfs/dbraw/zinc/96/14/66/568961466.db2.gz BZVSNOUYHAVDLT-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146324 568962129 /nfs/dbraw/zinc/96/21/29/568962129.db2.gz JGCGLNCYQQGSIF-YADHBBJMSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146021 568962265 /nfs/dbraw/zinc/96/22/65/568962265.db2.gz LFCJHFQREYYLMF-PKTZIBPZSA-N 1 1 448.966 4.508 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@@H](O)C(C)C ZINC000036302878 568993676 /nfs/dbraw/zinc/99/36/76/568993676.db2.gz YRVRHRSTQAUIPK-RUZDIDTESA-N 1 1 437.584 4.692 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)C(C)C ZINC000036302878 568993678 /nfs/dbraw/zinc/99/36/78/568993678.db2.gz YRVRHRSTQAUIPK-RUZDIDTESA-N 1 1 437.584 4.692 50 0 IJAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303643 568995240 /nfs/dbraw/zinc/99/52/40/568995240.db2.gz QQSPFTNHNUPWFX-OAQYLSRUSA-N 1 1 443.975 4.846 50 0 IJAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303643 568995242 /nfs/dbraw/zinc/99/52/42/568995242.db2.gz QQSPFTNHNUPWFX-OAQYLSRUSA-N 1 1 443.975 4.846 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036308512 568996349 /nfs/dbraw/zinc/99/63/49/568996349.db2.gz DWDYZABAECQTBZ-HSZRJFAPSA-N 1 1 437.584 4.971 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344968 569080430 /nfs/dbraw/zinc/08/04/30/569080430.db2.gz XUHCENILLDFYEA-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344968 569080431 /nfs/dbraw/zinc/08/04/31/569080431.db2.gz XUHCENILLDFYEA-AREMUKBSSA-N 1 1 427.548 4.813 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345159 569080673 /nfs/dbraw/zinc/08/06/73/569080673.db2.gz CTNVYVRAXMXHNG-VWLOTQADSA-N 1 1 443.547 4.514 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345159 569080675 /nfs/dbraw/zinc/08/06/75/569080675.db2.gz CTNVYVRAXMXHNG-VWLOTQADSA-N 1 1 443.547 4.514 50 0 IJAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000006922841 569109528 /nfs/dbraw/zinc/10/95/28/569109528.db2.gz UWRQLAGOUKFNKV-DSBYRVASSA-N 1 1 425.569 4.889 50 0 biogenic IJAAMO CCCC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CCCCCC2)Cc1ccccc1 ZINC000006933784 569110937 /nfs/dbraw/zinc/11/09/37/569110937.db2.gz PAQZZPPWCVUEJX-UHFFFAOYSA-N 1 1 426.601 4.761 50 0 biogenic IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935731 569111807 /nfs/dbraw/zinc/11/18/07/569111807.db2.gz ZLEXQWXNECGRCB-SFHVURJKSA-N 1 1 429.008 4.924 50 0 IJAAMO Fc1cccc(Cl)c1C[N@@H+]1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065257951 569124192 /nfs/dbraw/zinc/12/41/92/569124192.db2.gz NVNOSGHRCYSDPV-UHFFFAOYSA-N 1 1 427.911 4.514 50 0 IJAAMO Fc1cccc(Cl)c1C[N@H+]1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065257951 569124194 /nfs/dbraw/zinc/12/41/94/569124194.db2.gz NVNOSGHRCYSDPV-UHFFFAOYSA-N 1 1 427.911 4.514 50 0 IJAAMO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257938 569124266 /nfs/dbraw/zinc/12/42/66/569124266.db2.gz PMPBRYTXEVTOKP-UHFFFAOYSA-N 1 1 429.927 4.589 50 0 IJAAMO CCCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257938 569124267 /nfs/dbraw/zinc/12/42/67/569124267.db2.gz PMPBRYTXEVTOKP-UHFFFAOYSA-N 1 1 429.927 4.589 50 0 IJAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000089702551 569161719 /nfs/dbraw/zinc/16/17/19/569161719.db2.gz KAYDJACMHYIYFE-NRSPTQNISA-N 1 1 436.506 4.659 50 0 IJAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000089702553 569161880 /nfs/dbraw/zinc/16/18/80/569161880.db2.gz KAYDJACMHYIYFE-GIVPXCGWSA-N 1 1 436.506 4.659 50 0 IJAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667756 569188487 /nfs/dbraw/zinc/18/84/87/569188487.db2.gz PKSAVONHHOSKTL-UHFFFAOYSA-N 1 1 435.549 4.658 50 0 IJAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667756 569188488 /nfs/dbraw/zinc/18/84/88/569188488.db2.gz PKSAVONHHOSKTL-UHFFFAOYSA-N 1 1 435.549 4.658 50 0 IJAAMO CC(=O)N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000037384852 569192252 /nfs/dbraw/zinc/19/22/52/569192252.db2.gz JZCXAJLQNSYIPE-UHFFFAOYSA-N 1 1 444.966 4.986 50 0 IJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3F)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037570536 569201210 /nfs/dbraw/zinc/20/12/10/569201210.db2.gz BOQPLECTBJBELN-UHFFFAOYSA-N 1 1 438.568 4.994 50 0 IJAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C(C)C)nc4onc(C)c43)C2)s1 ZINC000328591679 569317107 /nfs/dbraw/zinc/31/71/07/569317107.db2.gz MZSDMSYPKAYIKJ-KRWDZBQOSA-N 1 1 426.586 4.619 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(C)C ZINC000020116075 569335093 /nfs/dbraw/zinc/33/50/93/569335093.db2.gz MVXCVAOMEGKFNY-HDJSHQJTSA-N 1 1 435.697 4.751 50 0 IJAAMO O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685867 569407097 /nfs/dbraw/zinc/40/70/97/569407097.db2.gz NGZKVYPFHCITHB-LJQANCHMSA-N 1 1 436.905 4.951 50 0 IJAAMO COc1ccc(-c2nn(C[NH+](CC(C)C)CC(C)C)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000003246230 569442718 /nfs/dbraw/zinc/44/27/18/569442718.db2.gz UVDWWRTXIIHZGY-NRFANRHFSA-N 1 1 432.634 4.840 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000008328429 569462591 /nfs/dbraw/zinc/46/25/91/569462591.db2.gz WOTICJXRZCLKNY-SANMLTNESA-N 1 1 427.548 4.900 50 0 IJAAMO Cc1cc([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546409 569463551 /nfs/dbraw/zinc/46/35/51/569463551.db2.gz SXSULZIUFRFREV-FQEVSTJZSA-N 1 1 429.973 4.892 50 0 IJAAMO COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CC[N@@H+](C(C)C)C2 ZINC000008793087 569476399 /nfs/dbraw/zinc/47/63/99/569476399.db2.gz BTEFNYQXFSXFOG-UHFFFAOYSA-N 1 1 427.353 4.860 50 0 IJAAMO COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CC[N@H+](C(C)C)C2 ZINC000008793087 569476400 /nfs/dbraw/zinc/47/64/00/569476400.db2.gz BTEFNYQXFSXFOG-UHFFFAOYSA-N 1 1 427.353 4.860 50 0 IJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccc3Cl)n2)cc1OC ZINC000008937156 569488110 /nfs/dbraw/zinc/48/81/10/569488110.db2.gz UNJWUJQDYMCFOJ-CYBMUJFWSA-N 1 1 431.945 4.770 50 0 IJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945232 569489026 /nfs/dbraw/zinc/48/90/26/569489026.db2.gz KXMWGYRSPQBRMT-XMMPIXPASA-N 1 1 428.532 4.824 50 0 IJAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945232 569489027 /nfs/dbraw/zinc/48/90/27/569489027.db2.gz KXMWGYRSPQBRMT-XMMPIXPASA-N 1 1 428.532 4.824 50 0 IJAAMO FC(F)(F)c1ccnc(N2CC[NH+](C3CCN(Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000245053601 569497093 /nfs/dbraw/zinc/49/70/93/569497093.db2.gz PCHPSANZHZHVQP-UHFFFAOYSA-N 1 1 444.501 4.633 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccccc2C)o1)Cc1ccccc1 ZINC000009115477 569502753 /nfs/dbraw/zinc/50/27/53/569502753.db2.gz SDIJYCVBXDYXGY-WJOKGBTCSA-N 1 1 438.593 4.538 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccccc3Cl)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293538 569520249 /nfs/dbraw/zinc/52/02/49/569520249.db2.gz WWWIHJDDUKIGCL-PKTZIBPZSA-N 1 1 427.895 4.848 50 0 IJAAMO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000009579066 569548446 /nfs/dbraw/zinc/54/84/46/569548446.db2.gz PZDHXFPCELXXKI-QHCPKHFHSA-N 1 1 443.551 4.577 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)Cc1ccccc1 ZINC000009611169 569552756 /nfs/dbraw/zinc/55/27/56/569552756.db2.gz WVNQIXIDLIDZQA-UHFFFAOYSA-N 1 1 434.561 4.958 50 0 IJAAMO Cc1cc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)n(-c2ccccc2)n1 ZINC000009780437 569567492 /nfs/dbraw/zinc/56/74/92/569567492.db2.gz FCPLQYOSEGDEME-UHFFFAOYSA-N 1 1 431.565 4.609 50 0 IJAAMO Fc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000009527731 132320386 /nfs/dbraw/zinc/32/03/86/132320386.db2.gz XQJUKGXQVFARFN-UHFFFAOYSA-N 1 1 448.523 4.548 50 0 IJAAMO CC(C)(C)c1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035893094 519050052 /nfs/dbraw/zinc/05/00/52/519050052.db2.gz XTHBBSVSBDEHJG-DEOSSOPVSA-N 1 1 447.623 4.826 50 0 IJAAMO CC(C)C[N@H+]1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925674 519722097 /nfs/dbraw/zinc/72/20/97/519722097.db2.gz JWFNUGCCDVVLQZ-UHFFFAOYSA-N 1 1 440.595 4.574 50 0 IJAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)on1 ZINC000012754391 519831202 /nfs/dbraw/zinc/83/12/02/519831202.db2.gz OEEXIIASPXLACL-SFHVURJKSA-N 1 1 437.506 4.844 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cccn2-c2nccs2)CC1 ZINC000012440153 520466017 /nfs/dbraw/zinc/46/60/17/520466017.db2.gz PFPYCBMYNARIQQ-UHFFFAOYSA-N 1 1 444.000 4.975 50 0 IJAAMO CC[N@@H+](CCCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1)Cc1ccccc1 ZINC000020980140 521022423 /nfs/dbraw/zinc/02/24/23/521022423.db2.gz OAKSCJABGKODFK-UHFFFAOYSA-N 1 1 441.579 4.613 50 0 IJAAMO CCOC(=O)[C@@]1(CCCc2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012318497 521178366 /nfs/dbraw/zinc/17/83/66/521178366.db2.gz ZUQANIHSSNKGHM-NDEPHWFRSA-N 1 1 449.639 4.714 50 0 IJAAMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012301865 521282726 /nfs/dbraw/zinc/28/27/26/521282726.db2.gz AOTDXGUYZPPCSX-HSZRJFAPSA-N 1 1 432.612 4.862 50 0 IJAAMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012301865 521282732 /nfs/dbraw/zinc/28/27/32/521282732.db2.gz AOTDXGUYZPPCSX-HSZRJFAPSA-N 1 1 432.612 4.862 50 0 IJAAMO CC[N@@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012507474 521322956 /nfs/dbraw/zinc/32/29/56/521322956.db2.gz ZATXUMBDPARCMZ-XMMPIXPASA-N 1 1 440.628 4.627 50 0 IJAAMO CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012507474 521322960 /nfs/dbraw/zinc/32/29/60/521322960.db2.gz ZATXUMBDPARCMZ-XMMPIXPASA-N 1 1 440.628 4.627 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000021486612 521371051 /nfs/dbraw/zinc/37/10/51/521371051.db2.gz GJFRGKIRGOOJGG-QZTJIDSGSA-N 1 1 444.597 4.646 50 0 IJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785117 521692451 /nfs/dbraw/zinc/69/24/51/521692451.db2.gz KDQPKRGRBQSAQF-OXQOHEQNSA-N 1 1 437.078 4.764 50 0 IJAAMO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012568052 522041658 /nfs/dbraw/zinc/04/16/58/522041658.db2.gz MFRRTMMMZDOFQG-WNSKOXEYSA-N 1 1 434.565 4.749 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3C)ccc2c1NC(=O)c1cccc(F)c1 ZINC000012247896 522434271 /nfs/dbraw/zinc/43/42/71/522434271.db2.gz ZWAKXGLTIMEEFR-AWEZNQCLSA-N 1 1 441.528 4.849 50 0 IJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000020599348 522819340 /nfs/dbraw/zinc/81/93/40/522819340.db2.gz CPXVGGLKMWAMCQ-HNNXBMFYSA-N 1 1 443.494 4.760 50 0 IJAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1OC ZINC000012744482 522920147 /nfs/dbraw/zinc/92/01/47/522920147.db2.gz VZCBNSOFBYOTBH-OAQYLSRUSA-N 1 1 434.536 4.952 50 0 IJAAMO COCc1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)ccc1OC ZINC000012706494 522923424 /nfs/dbraw/zinc/92/34/24/522923424.db2.gz WRXXGQSDVFDZGI-FQEVSTJZSA-N 1 1 440.584 4.790 50 0 IJAAMO Cn1cc(CC[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000020538867 522984938 /nfs/dbraw/zinc/98/49/38/522984938.db2.gz CAGHIEWPXMLGPO-UHFFFAOYSA-N 1 1 425.536 4.753 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(C)cc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041046 523037465 /nfs/dbraw/zinc/03/74/65/523037465.db2.gz WZYFQCDKSLSKGZ-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041046 523037471 /nfs/dbraw/zinc/03/74/71/523037471.db2.gz WZYFQCDKSLSKGZ-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036040977 523037689 /nfs/dbraw/zinc/03/76/89/523037689.db2.gz SARAVBBHMHXLCD-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036040977 523037701 /nfs/dbraw/zinc/03/77/01/523037701.db2.gz SARAVBBHMHXLCD-RUZDIDTESA-N 1 1 444.575 4.850 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042953 523048377 /nfs/dbraw/zinc/04/83/77/523048377.db2.gz QAEKULLGPXRQHZ-HRFSGMKKSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042953 523048386 /nfs/dbraw/zinc/04/83/86/523048386.db2.gz QAEKULLGPXRQHZ-HRFSGMKKSA-N 1 1 444.575 4.930 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]cnc2c1 ZINC000012197729 523118335 /nfs/dbraw/zinc/11/83/35/523118335.db2.gz KUJKDALOPLHGIN-GOSISDBHSA-N 1 1 444.501 4.608 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cnc3ccccn23)c(F)c1 ZINC000012200369 523244052 /nfs/dbraw/zinc/24/40/52/523244052.db2.gz GTQBASLRTDZFSM-UHFFFAOYSA-N 1 1 441.510 4.967 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cnc3ccccn23)c(F)c1 ZINC000012200369 523244065 /nfs/dbraw/zinc/24/40/65/523244065.db2.gz GTQBASLRTDZFSM-UHFFFAOYSA-N 1 1 441.510 4.967 50 0 IJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccccc1 ZINC000021045735 523717861 /nfs/dbraw/zinc/71/78/61/523717861.db2.gz ZBMFYFRXTPHZRR-RUZDIDTESA-N 1 1 448.588 4.612 50 0 IJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccccc1 ZINC000021045735 523717867 /nfs/dbraw/zinc/71/78/67/523717867.db2.gz ZBMFYFRXTPHZRR-RUZDIDTESA-N 1 1 448.588 4.612 50 0 IJAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000012223759 523888146 /nfs/dbraw/zinc/88/81/46/523888146.db2.gz PQCYIQFGBFMMNV-NRFANRHFSA-N 1 1 448.529 4.670 50 0 IJAAMO COc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1F ZINC000012463904 524034175 /nfs/dbraw/zinc/03/41/75/524034175.db2.gz LAIFBTAZDZBXKP-UHFFFAOYSA-N 1 1 434.540 4.828 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916071 524112601 /nfs/dbraw/zinc/11/26/01/524112601.db2.gz ZSVQFKABZKZSMW-HXUWFJFHSA-N 1 1 434.584 4.666 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)cc1Cl ZINC000012306680 524484618 /nfs/dbraw/zinc/48/46/18/524484618.db2.gz YKLOZKJKIKSJAM-QGZVFWFLSA-N 1 1 440.975 4.866 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)cc1Cl ZINC000012306680 524484621 /nfs/dbraw/zinc/48/46/21/524484621.db2.gz YKLOZKJKIKSJAM-QGZVFWFLSA-N 1 1 440.975 4.866 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2oc1-c1ccccc1 ZINC000012787241 525524387 /nfs/dbraw/zinc/52/43/87/525524387.db2.gz AEDVPVVPEUBYSA-QFIPXVFZSA-N 1 1 438.527 4.773 50 0 IJAAMO Cc1c(=O)c2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2oc1-c1ccccc1 ZINC000012787241 525524398 /nfs/dbraw/zinc/52/43/98/525524398.db2.gz AEDVPVVPEUBYSA-QFIPXVFZSA-N 1 1 438.527 4.773 50 0 IJAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000012300369 525967377 /nfs/dbraw/zinc/96/73/77/525967377.db2.gz WREKVYRPJYSWGD-HXUWFJFHSA-N 1 1 438.616 4.775 50 0 IJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012791387 526890313 /nfs/dbraw/zinc/89/03/13/526890313.db2.gz DLQFRJVEWVHZKT-DEOSSOPVSA-N 1 1 445.544 4.589 50 0 IJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH+]1 ZINC000021794082 527002984 /nfs/dbraw/zinc/00/29/84/527002984.db2.gz SPBGITRLXVYCDB-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(N(C)C)[nH+]1 ZINC000021794082 527002988 /nfs/dbraw/zinc/00/29/88/527002988.db2.gz SPBGITRLXVYCDB-UHFFFAOYSA-N 1 1 426.318 4.609 50 0 IJAAMO O=C1C[C@H]([NH+]2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018220189 527027994 /nfs/dbraw/zinc/02/79/94/527027994.db2.gz CMRPYUAFIZDBOK-NRFANRHFSA-N 1 1 432.898 4.595 50 0 IJAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)[N@H+]3CCC[C@@]123 ZINC000012300700 527039317 /nfs/dbraw/zinc/03/93/17/527039317.db2.gz IBEYYCYKOPPJDZ-MPYJOUPCSA-N 1 1 439.559 4.599 50 0 IJAAMO Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)nc2ccccc21 ZINC000012307182 527054069 /nfs/dbraw/zinc/05/40/69/527054069.db2.gz UUVPUUOUUMAFBF-NRFANRHFSA-N 1 1 438.575 4.882 50 0 IJAAMO Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)nc2ccccc21 ZINC000012307182 527054074 /nfs/dbraw/zinc/05/40/74/527054074.db2.gz UUVPUUOUUMAFBF-NRFANRHFSA-N 1 1 438.575 4.882 50 0 IJAAMO O=C(Nc1ccc(Br)cc1)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532109 527155504 /nfs/dbraw/zinc/15/55/04/527155504.db2.gz LPDQPOFVQAIKPP-QGZVFWFLSA-N 1 1 428.374 4.751 50 0 IJAAMO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871481 527398773 /nfs/dbraw/zinc/39/87/73/527398773.db2.gz UYUPUGYPQAVOMK-JTHBVZDNSA-N 1 1 443.513 4.950 50 0 IJAAMO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000035908078 527515557 /nfs/dbraw/zinc/51/55/57/527515557.db2.gz CJSIIHYWWFRQMA-GGAORHGYSA-N 1 1 449.561 4.760 50 0 IJAAMO Fc1cccc(C[NH+]2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)CC2)c1 ZINC000034708023 555822475 /nfs/dbraw/zinc/82/24/75/555822475.db2.gz VXEFZHGYRRFJMP-UHFFFAOYSA-N 1 1 444.558 4.787 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)c1 ZINC000002916803 555862724 /nfs/dbraw/zinc/86/27/24/555862724.db2.gz QIXOQKNKXURJFO-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1ccc(-c2ncc(CN(C)C[C@H]3CCC[N@@H+](CCc4ccc(F)cc4)C3)cn2)cc1 ZINC000011661824 556343508 /nfs/dbraw/zinc/34/35/08/556343508.db2.gz POUFIBXGLVZLBS-JOCHJYFZSA-N 1 1 448.586 4.678 50 0 IJAAMO CC(=O)c1cc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000011662293 556343960 /nfs/dbraw/zinc/34/39/60/556343960.db2.gz LPQXZQCQSMGEAM-IBGZPJMESA-N 1 1 433.017 4.560 50 0 IJAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011705495 556347218 /nfs/dbraw/zinc/34/72/18/556347218.db2.gz KIKPLAYWKOSFOG-JOCHJYFZSA-N 1 1 442.563 4.693 50 0 IJAAMO CCCN1CCC([N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933697 556377382 /nfs/dbraw/zinc/37/73/82/556377382.db2.gz CMGGAJCRTYIQHR-QHCPKHFHSA-N 1 1 435.612 4.887 50 0 IJAAMO CCCN1CCC([N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933697 556377384 /nfs/dbraw/zinc/37/73/84/556377384.db2.gz CMGGAJCRTYIQHR-QHCPKHFHSA-N 1 1 435.612 4.887 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011934342 556377585 /nfs/dbraw/zinc/37/75/85/556377585.db2.gz GBRDIYHRTBWTSG-DEOSSOPVSA-N 1 1 444.623 4.505 50 0 IJAAMO COc1cccc(CC(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011937514 556379466 /nfs/dbraw/zinc/37/94/66/556379466.db2.gz NHSRAIHUOTVPGB-DEOSSOPVSA-N 1 1 435.612 4.706 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000012002144 556386067 /nfs/dbraw/zinc/38/60/67/556386067.db2.gz FLZUVPOWPMCSJB-SFHVURJKSA-N 1 1 430.976 4.666 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000012049916 556392143 /nfs/dbraw/zinc/39/21/43/556392143.db2.gz HDMJGXRXDJGOQM-QGZVFWFLSA-N 1 1 448.966 4.805 50 0 IJAAMO CCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012054614 556393515 /nfs/dbraw/zinc/39/35/15/556393515.db2.gz FUAGNFNQZFYFBX-NRFANRHFSA-N 1 1 430.552 4.565 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072728 556396111 /nfs/dbraw/zinc/39/61/11/556396111.db2.gz XGKPQOTUDWNYDG-GOSISDBHSA-N 1 1 445.629 4.592 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072728 556396114 /nfs/dbraw/zinc/39/61/14/556396114.db2.gz XGKPQOTUDWNYDG-GOSISDBHSA-N 1 1 445.629 4.592 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000012091294 556402464 /nfs/dbraw/zinc/40/24/64/556402464.db2.gz UMJBCDJDYVHNSF-UHFFFAOYSA-N 1 1 444.535 4.871 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000012091294 556402465 /nfs/dbraw/zinc/40/24/65/556402465.db2.gz UMJBCDJDYVHNSF-UHFFFAOYSA-N 1 1 444.535 4.871 50 0 IJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622361 556409656 /nfs/dbraw/zinc/40/96/56/556409656.db2.gz PAGCNEHCUKVKBN-GOSISDBHSA-N 1 1 444.329 4.654 50 0 IJAAMO O=C(Nc1cccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1)C1CCCCC1 ZINC000028037255 556442269 /nfs/dbraw/zinc/44/22/69/556442269.db2.gz UNACADSXZMPSOJ-UHFFFAOYSA-N 1 1 425.598 4.615 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976089 556468805 /nfs/dbraw/zinc/46/88/05/556468805.db2.gz IKPUNUXUXKUODR-QGZVFWFLSA-N 1 1 430.570 4.599 50 0 IJAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976089 556468808 /nfs/dbraw/zinc/46/88/08/556468808.db2.gz IKPUNUXUXKUODR-QGZVFWFLSA-N 1 1 430.570 4.599 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976086 556468975 /nfs/dbraw/zinc/46/89/75/556468975.db2.gz IKPUNUXUXKUODR-KRWDZBQOSA-N 1 1 430.570 4.599 50 0 IJAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976086 556468978 /nfs/dbraw/zinc/46/89/78/556468978.db2.gz IKPUNUXUXKUODR-KRWDZBQOSA-N 1 1 430.570 4.599 50 0 IJAAMO Cc1nc(C(=O)NCCCOc2ccc(C[N@@H+]3CC=C(c4ccccc4)CC3)cc2)cs1 ZINC000014989432 556473966 /nfs/dbraw/zinc/47/39/66/556473966.db2.gz UYSIDKPTEXMQNV-UHFFFAOYSA-N 1 1 447.604 4.940 50 0 IJAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029477607 556476055 /nfs/dbraw/zinc/47/60/55/556476055.db2.gz CDHPQRIQXGFXPB-VWLOTQADSA-N 1 1 438.955 4.662 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3C)ccc2c1NC(=O)c1ccsc1 ZINC000015068069 556493862 /nfs/dbraw/zinc/49/38/62/556493862.db2.gz YSTHWLUAKLLDSY-ZDUSSCGKSA-N 1 1 429.567 4.771 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1Cl ZINC000015068145 556494044 /nfs/dbraw/zinc/49/40/44/556494044.db2.gz CCJSOQYVEJBOAV-SFHVURJKSA-N 1 1 443.975 4.938 50 0 IJAAMO c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ncccn2)c1 ZINC000015075144 556498897 /nfs/dbraw/zinc/49/88/97/556498897.db2.gz CNSCZJZSQVQGGX-DEOSSOPVSA-N 1 1 444.627 4.709 50 0 IJAAMO O=C(c1ccc2[nH]cnc2c1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015079290 556500244 /nfs/dbraw/zinc/50/02/44/556500244.db2.gz DWOVJEDIBLEOCR-NRFANRHFSA-N 1 1 431.584 4.645 50 0 IJAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)CC1 ZINC000004554378 556503149 /nfs/dbraw/zinc/50/31/49/556503149.db2.gz COOHTSIQAMVKBX-QGZVFWFLSA-N 1 1 425.598 4.796 50 0 IJAAMO COc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC000072304872 556549644 /nfs/dbraw/zinc/54/96/44/556549644.db2.gz CLSKDMGMMMSZGR-FQEVSTJZSA-N 1 1 432.564 4.695 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000034687443 556580968 /nfs/dbraw/zinc/58/09/68/556580968.db2.gz UJXHMWBWBXEYSW-LRSLUSHPSA-N 1 1 448.950 4.779 50 0 IJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000034687443 556580970 /nfs/dbraw/zinc/58/09/70/556580970.db2.gz UJXHMWBWBXEYSW-LRSLUSHPSA-N 1 1 448.950 4.779 50 0 IJAAMO CC1CCN(c2nc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3s2)CC1 ZINC000005145263 556642214 /nfs/dbraw/zinc/64/22/14/556642214.db2.gz TTZYRXGQESAXON-KDURUIRLSA-N 1 1 428.646 4.630 50 0 IJAAMO Cc1ccc(NC(=O)CN2CCC[C@H]2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000247954429 556649684 /nfs/dbraw/zinc/64/96/84/556649684.db2.gz ZMFJFVWMLQEKEL-URXFXBBRSA-N 1 1 426.004 4.964 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000248143701 556668859 /nfs/dbraw/zinc/66/88/59/556668859.db2.gz DCMKUKOOWBVXTO-BKMJKUGQSA-N 1 1 438.568 4.507 50 0 IJAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000248143701 556668862 /nfs/dbraw/zinc/66/88/62/556668862.db2.gz DCMKUKOOWBVXTO-BKMJKUGQSA-N 1 1 438.568 4.507 50 0 IJAAMO Cc1[nH]nc(-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000013609460 556702560 /nfs/dbraw/zinc/70/25/60/556702560.db2.gz WCUOFPDUYJZKGE-IYBDPMFKSA-N 1 1 441.959 4.899 50 0 IJAAMO Cc1[nH]nc(-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000013609460 556702562 /nfs/dbraw/zinc/70/25/62/556702562.db2.gz WCUOFPDUYJZKGE-IYBDPMFKSA-N 1 1 441.959 4.899 50 0 IJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000055539403 556741782 /nfs/dbraw/zinc/74/17/82/556741782.db2.gz DTJQWSVXKZOPDN-UHFFFAOYSA-N 1 1 449.938 4.643 50 0 IJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccc(F)c2)cc1 ZINC000058171272 556768243 /nfs/dbraw/zinc/76/82/43/556768243.db2.gz CDNSFURZMGJEGQ-AREMUKBSSA-N 1 1 445.538 4.598 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000058223279 556773527 /nfs/dbraw/zinc/77/35/27/556773527.db2.gz SNSWSBOYOUSBKO-OAQYLSRUSA-N 1 1 446.595 4.532 50 0 IJAAMO Cc1ccc(-c2nn(CN3CCC[N@@H+](CC4CCCCC4)CC3)c(=O)c3ccccc32)cc1 ZINC000062581091 556836905 /nfs/dbraw/zinc/83/69/05/556836905.db2.gz VTZGTEONUVZESK-UHFFFAOYSA-N 1 1 444.623 4.917 50 0 IJAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000019890277 556939217 /nfs/dbraw/zinc/93/92/17/556939217.db2.gz OPHPOHLALVXDPA-DEOSSOPVSA-N 1 1 435.568 4.552 50 0 IJAAMO Cc1sc2[nH]c(CN3CC[NH+](Cc4ccccc4)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022933666 557051236 /nfs/dbraw/zinc/05/12/36/557051236.db2.gz OPPHGKHIUJVVHN-UHFFFAOYSA-N 1 1 444.604 4.586 50 0 IJAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039318 557056509 /nfs/dbraw/zinc/05/65/09/557056509.db2.gz AOPLDTRJAXAWAF-DEOSSOPVSA-N 1 1 444.535 4.826 50 0 IJAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039318 557056511 /nfs/dbraw/zinc/05/65/11/557056511.db2.gz AOPLDTRJAXAWAF-DEOSSOPVSA-N 1 1 444.535 4.826 50 0 IJAAMO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1c(F)cccc1F ZINC000048308591 557059523 /nfs/dbraw/zinc/05/95/23/557059523.db2.gz HFIQFLTZKZLGFO-UHFFFAOYSA-N 1 1 430.282 4.561 50 0 IJAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1c(F)cccc1F ZINC000048308591 557059528 /nfs/dbraw/zinc/05/95/28/557059528.db2.gz HFIQFLTZKZLGFO-UHFFFAOYSA-N 1 1 430.282 4.561 50 0 IJAAMO CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)[NH2+][C@H](c2cc(OC)ccc2OC)[C@@H]1C ZINC000005952191 557083061 /nfs/dbraw/zinc/08/30/61/557083061.db2.gz GIMAZQRNBHQQHN-KAYCVPKSSA-N 1 1 429.557 4.664 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(N2CCCC2)[nH+]1 ZINC000049028102 557088376 /nfs/dbraw/zinc/08/83/76/557088376.db2.gz NCLUREKXXWVVLM-UHFFFAOYSA-N 1 1 446.511 4.544 50 0 IJAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1C ZINC000033318590 557100111 /nfs/dbraw/zinc/10/01/11/557100111.db2.gz OLSDHDZUARXSCJ-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326732 557108598 /nfs/dbraw/zinc/10/85/98/557108598.db2.gz WGKRLAIQBGGEOD-UHFFFAOYSA-N 1 1 432.528 4.572 50 0 IJAAMO COc1ccc(-c2noc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000025455131 557210416 /nfs/dbraw/zinc/21/04/16/557210416.db2.gz LOAQNDKVDXKUTN-JOCHJYFZSA-N 1 1 427.504 4.902 50 0 IJAAMO COc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000025455131 557210418 /nfs/dbraw/zinc/21/04/18/557210418.db2.gz LOAQNDKVDXKUTN-JOCHJYFZSA-N 1 1 427.504 4.902 50 0 IJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000023320342 557231659 /nfs/dbraw/zinc/23/16/59/557231659.db2.gz MCCBLRUQJQLRNH-AREMUKBSSA-N 1 1 434.967 4.961 50 0 IJAAMO COc1ccc2[nH]cc(C(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000085902872 557269728 /nfs/dbraw/zinc/26/97/28/557269728.db2.gz MIVKAQIIGPEGCQ-UHFFFAOYSA-N 1 1 439.559 4.766 50 0 IJAAMO O=C(Cc1csc(-c2ccccc2)n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198619 557395400 /nfs/dbraw/zinc/39/54/00/557395400.db2.gz DQWLWHLGJIMHCR-KWLZBDKBSA-N 1 1 433.621 4.774 50 0 biogenic IJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000103775500 557441512 /nfs/dbraw/zinc/44/15/12/557441512.db2.gz UXYGMFTYLAESNQ-CRAIPNDOSA-N 1 1 444.906 4.664 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922160 557533204 /nfs/dbraw/zinc/53/32/04/557533204.db2.gz QFHDBCCERPLQLG-NVXWUHKLSA-N 1 1 425.920 4.505 50 0 IJAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922160 557533207 /nfs/dbraw/zinc/53/32/07/557533207.db2.gz QFHDBCCERPLQLG-NVXWUHKLSA-N 1 1 425.920 4.505 50 0 IJAAMO CCCC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000601014384 557629667 /nfs/dbraw/zinc/62/96/67/557629667.db2.gz HDZDJWDOTXGGFA-DEOSSOPVSA-N 1 1 432.564 4.981 50 0 IJAAMO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)CO1 ZINC000229711717 557833147 /nfs/dbraw/zinc/83/31/47/557833147.db2.gz BSKACKTYAIEHIH-YKSBVNFPSA-N 1 1 430.548 4.876 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982986 568838754 /nfs/dbraw/zinc/83/87/54/568838754.db2.gz RCQYMXALWDNTNU-LEWJYISDSA-N 1 1 448.966 4.508 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000089340316 568921251 /nfs/dbraw/zinc/92/12/51/568921251.db2.gz JTHDTLRHGUCKSW-CBQGHPETSA-N 1 1 442.003 4.805 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000089340316 568921253 /nfs/dbraw/zinc/92/12/53/568921253.db2.gz JTHDTLRHGUCKSW-CBQGHPETSA-N 1 1 442.003 4.805 50 0 IJAAMO Cc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036146063 568962084 /nfs/dbraw/zinc/96/20/84/568962084.db2.gz XBINMZJAJIGERJ-GOTSBHOMSA-N 1 1 445.003 4.820 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146258 568962236 /nfs/dbraw/zinc/96/22/36/568962236.db2.gz KKUCECPWFGEDIC-UXHICEINSA-N 1 1 448.966 4.650 50 0 IJAAMO CCC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)CC(C)C ZINC000036205197 568972857 /nfs/dbraw/zinc/97/28/57/568972857.db2.gz CXHBVGIKWHGNBX-IBGZPJMESA-N 1 1 427.614 4.887 50 0 IJAAMO CCC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)CC(C)C ZINC000036205200 568972878 /nfs/dbraw/zinc/97/28/78/568972878.db2.gz CXHBVGIKWHGNBX-LJQANCHMSA-N 1 1 427.614 4.887 50 0 IJAAMO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206595 568973170 /nfs/dbraw/zinc/97/31/70/568973170.db2.gz NPYDZYQSRNQMPA-QGZVFWFLSA-N 1 1 443.613 4.669 50 0 IJAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206595 568973171 /nfs/dbraw/zinc/97/31/71/568973171.db2.gz NPYDZYQSRNQMPA-QGZVFWFLSA-N 1 1 443.613 4.669 50 0 IJAAMO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679073 568990186 /nfs/dbraw/zinc/99/01/86/568990186.db2.gz UYUPUGYPQAVOMK-GMAHTHKFSA-N 1 1 443.513 4.950 50 0 IJAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000169681313 568992036 /nfs/dbraw/zinc/99/20/36/568992036.db2.gz JLOSUKYNZXAAGL-GOTSBHOMSA-N 1 1 430.976 4.731 50 0 IJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306422 568995634 /nfs/dbraw/zinc/99/56/34/568995634.db2.gz KPOGEZFDEYMEMF-QFIPXVFZSA-N 1 1 437.584 4.796 50 0 IJAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346133 569081099 /nfs/dbraw/zinc/08/10/99/569081099.db2.gz PCXBBYQAUYTAMJ-QHCPKHFHSA-N 1 1 437.584 4.747 50 0 IJAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+](Cc3ccco3)[C@H](C)CC)c21 ZINC000007001340 569117543 /nfs/dbraw/zinc/11/75/43/569117543.db2.gz NXPQWBPLXYQTBB-OAHLLOKOSA-N 1 1 428.533 4.712 50 0 IJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524731962 569126583 /nfs/dbraw/zinc/12/65/83/569126583.db2.gz QTVNFOROTIZFNV-QPTUXGOLSA-N 1 1 443.657 4.659 50 0 biogenic IJAAMO CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000170616032 569146892 /nfs/dbraw/zinc/14/68/92/569146892.db2.gz JJWTUOISFYSGBI-MRXNPFEDSA-N 1 1 442.951 4.504 50 0 IJAAMO CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000170616032 569146894 /nfs/dbraw/zinc/14/68/94/569146894.db2.gz JJWTUOISFYSGBI-MRXNPFEDSA-N 1 1 442.951 4.504 50 0 IJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891095 569165523 /nfs/dbraw/zinc/16/55/23/569165523.db2.gz WOVOTASTWRZPLK-GAJHUEQPSA-N 1 1 441.547 4.708 50 0 IJAAMO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019793251 569329446 /nfs/dbraw/zinc/32/94/46/569329446.db2.gz VMCFLPDWMBNHPX-UHFFFAOYSA-N 1 1 439.559 4.947 50 0 IJAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1)C1CCCCC1 ZINC000095467495 569371061 /nfs/dbraw/zinc/37/10/61/569371061.db2.gz HYNARGBLIWQMQK-UHFFFAOYSA-N 1 1 425.554 4.907 50 0 IJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 ZINC000002915128 569425087 /nfs/dbraw/zinc/42/50/87/569425087.db2.gz KXNGOFYAYSRYLX-LOSJGSFVSA-N 1 1 438.487 4.508 50 0 IJAAMO CCc1cc([C@H](c2cccc(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546443 569463540 /nfs/dbraw/zinc/46/35/40/569463540.db2.gz AUJAKHJFXVPNCF-QFIPXVFZSA-N 1 1 439.581 4.501 50 0 IJAAMO CC[N@H+]1CCc2c(CNC(=O)Nc3cc(Cl)ccc3OC)c(-n3cccc3)sc2C1 ZINC000009151107 569507394 /nfs/dbraw/zinc/50/73/94/569507394.db2.gz JQJAQYABAWSSAE-UHFFFAOYSA-N 1 1 444.988 4.901 50 0 IJAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C2)cc1 ZINC000009227606 569513445 /nfs/dbraw/zinc/51/34/45/569513445.db2.gz CYCSTOLONAFFHI-QFIPXVFZSA-N 1 1 446.595 4.610 50 0 IJAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C2)cc1 ZINC000009227601 569513461 /nfs/dbraw/zinc/51/34/61/569513461.db2.gz CYCSTOLONAFFHI-JOCHJYFZSA-N 1 1 446.595 4.610 50 0 IJAAMO CCOc1ccccc1[C@@H]1Oc2ccc(C)cc2C2=C1[C@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000009309781 569521623 /nfs/dbraw/zinc/52/16/23/569521623.db2.gz YVPGWSJMYWZOBR-DQEYMECFSA-N 1 1 437.503 4.593 50 0 IJAAMO CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000009309780 569521664 /nfs/dbraw/zinc/52/16/64/569521664.db2.gz YVPGWSJMYWZOBR-LOSJGSFVSA-N 1 1 437.503 4.593 50 0 IJAAMO COc1ccccc1Nc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC000009680928 569560232 /nfs/dbraw/zinc/56/02/32/569560232.db2.gz NOHCOVZLYNIDRK-IBGZPJMESA-N 1 1 432.568 4.839 50 0 IJAAMO Cc1cccc(N(Cc2ccccc2)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000009713711 569562677 /nfs/dbraw/zinc/56/26/77/569562677.db2.gz JWMKTKQOAPBGIF-UHFFFAOYSA-N 1 1 441.575 4.879 50 0 IJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)nc2c(C)c1 ZINC000009848373 569571242 /nfs/dbraw/zinc/57/12/42/569571242.db2.gz YWXZDHNSAIISLW-SVFBPWRDSA-N 1 1 442.673 4.614 50 0 IJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000020240998 569587087 /nfs/dbraw/zinc/58/70/87/569587087.db2.gz NHTISZJMBBWETH-KRWDZBQOSA-N 1 1 429.973 4.893 50 0 IJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000020240996 569587106 /nfs/dbraw/zinc/58/71/06/569587106.db2.gz NHTISZJMBBWETH-QGZVFWFLSA-N 1 1 429.973 4.893 50 0 IJAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)CC2)c1C ZINC000009246621 132310608 /nfs/dbraw/zinc/31/06/08/132310608.db2.gz HADUTZFBMCIRCM-UHFFFAOYSA-N 1 1 443.994 4.657 50 0 IJAAMO CC[C@@H](C(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1)c1ccccc1 ZINC000009573245 132321980 /nfs/dbraw/zinc/32/19/80/132321980.db2.gz PJYMGCJCCNVDNN-HSZRJFAPSA-N 1 1 429.568 4.679 50 0 IJAAMO CC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cs1 ZINC000015066439 518274696 /nfs/dbraw/zinc/27/46/96/518274696.db2.gz BLSVDFZAFIAGRO-UHFFFAOYSA-N 1 1 425.579 4.925 50 0 IJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cs1 ZINC000012590112 518275603 /nfs/dbraw/zinc/27/56/03/518275603.db2.gz OJPBYGNSUKPBSK-SFHVURJKSA-N 1 1 425.579 4.925 50 0 IJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cs1 ZINC000012590112 518275606 /nfs/dbraw/zinc/27/56/06/518275606.db2.gz OJPBYGNSUKPBSK-SFHVURJKSA-N 1 1 425.579 4.925 50 0 IJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000021662904 519708106 /nfs/dbraw/zinc/70/81/06/519708106.db2.gz DQCOMQZSXHYUCY-UHFFFAOYSA-N 1 1 444.579 4.855 50 0 IJAAMO CC(C)c1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)[nH]n1 ZINC000012314180 519832945 /nfs/dbraw/zinc/83/29/45/519832945.db2.gz OZIZBYUBGDTYTJ-UHFFFAOYSA-N 1 1 432.568 4.507 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C(F)(F)F)n[nH]4)C3)C2)cc1 ZINC000012433559 519835967 /nfs/dbraw/zinc/83/59/67/519835967.db2.gz VTQUWPHCXJAEEY-QFIPXVFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)C2)cc1 ZINC000012433559 519835968 /nfs/dbraw/zinc/83/59/68/519835968.db2.gz VTQUWPHCXJAEEY-QFIPXVFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)C2)cc1 ZINC000012433559 519835969 /nfs/dbraw/zinc/83/59/69/519835969.db2.gz VTQUWPHCXJAEEY-QFIPXVFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012625232 521371469 /nfs/dbraw/zinc/37/14/69/521371469.db2.gz GJFRGKIRGOOJGG-HDICACEKSA-N 1 1 444.597 4.646 50 0 IJAAMO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012625232 521371476 /nfs/dbraw/zinc/37/14/76/521371476.db2.gz GJFRGKIRGOOJGG-HDICACEKSA-N 1 1 444.597 4.646 50 0 IJAAMO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000012413861 521409491 /nfs/dbraw/zinc/40/94/91/521409491.db2.gz SAXXZXDOGDCOQK-UHFFFAOYSA-N 1 1 440.609 4.697 50 0 IJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785133 521695604 /nfs/dbraw/zinc/69/56/04/521695604.db2.gz KDQPKRGRBQSAQF-JXFKEZNVSA-N 1 1 437.078 4.764 50 0 IJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785122 521695750 /nfs/dbraw/zinc/69/57/50/521695750.db2.gz KDQPKRGRBQSAQF-UZLBHIALSA-N 1 1 437.078 4.764 50 0 IJAAMO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012202144 522005311 /nfs/dbraw/zinc/00/53/11/522005311.db2.gz RJGGRSPAEQQDHV-XMMPIXPASA-N 1 1 445.519 4.654 50 0 IJAAMO COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012202144 522005327 /nfs/dbraw/zinc/00/53/27/522005327.db2.gz RJGGRSPAEQQDHV-XMMPIXPASA-N 1 1 445.519 4.654 50 0 IJAAMO C[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)C1CCCCC1 ZINC000021915395 522861358 /nfs/dbraw/zinc/86/13/58/522861358.db2.gz SWQROYHZUULEFJ-UHFFFAOYSA-N 1 1 448.611 4.518 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043124 523038784 /nfs/dbraw/zinc/03/87/84/523038784.db2.gz CNCJYVAOFAFYFB-CCLHPLFOSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043124 523038792 /nfs/dbraw/zinc/03/87/92/523038792.db2.gz CNCJYVAOFAFYFB-CCLHPLFOSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1Cl ZINC000022078646 523136303 /nfs/dbraw/zinc/13/63/03/523136303.db2.gz IYXPNZONNHYAFF-LJQANCHMSA-N 1 1 429.929 4.512 50 0 IJAAMO COc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1Cl ZINC000022078646 523136310 /nfs/dbraw/zinc/13/63/10/523136310.db2.gz IYXPNZONNHYAFF-LJQANCHMSA-N 1 1 429.929 4.512 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780779 523839634 /nfs/dbraw/zinc/83/96/34/523839634.db2.gz PLFZQWQVIPNSTO-KBMIEXCESA-N 1 1 441.535 4.615 50 0 IJAAMO C[N@H+]1CC[C@]2(CCN(Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710369 523995412 /nfs/dbraw/zinc/99/54/12/523995412.db2.gz SUOIAZFVHYNZNZ-MHZLTWQESA-N 1 1 426.564 4.872 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915435 524104450 /nfs/dbraw/zinc/10/44/50/524104450.db2.gz MHJZWALTVZSNCI-LJQANCHMSA-N 1 1 448.611 4.518 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766053 524197819 /nfs/dbraw/zinc/19/78/19/524197819.db2.gz RGDGCQWVRIIVPO-NRFANRHFSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766053 524197822 /nfs/dbraw/zinc/19/78/22/524197822.db2.gz RGDGCQWVRIIVPO-NRFANRHFSA-N 1 1 426.969 4.940 50 0 IJAAMO COc1cccc2c1OCCC[N@H+]([C@H]1CCC(=O)N(Cc3cccc(Cl)c3)CC1)C2 ZINC000012205379 524234961 /nfs/dbraw/zinc/23/49/61/524234961.db2.gz GADKITIIJPGFEZ-NRFANRHFSA-N 1 1 428.960 4.514 50 0 IJAAMO Cc1cccc(C[N@@H+]2CC=C(c3noc(CCC(=O)N4CCCc5ccccc54)n3)CC2)c1 ZINC000021944974 524387735 /nfs/dbraw/zinc/38/77/35/524387735.db2.gz ZABKQNYLYOLXMM-UHFFFAOYSA-N 1 1 442.563 4.579 50 0 IJAAMO COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012772210 524475833 /nfs/dbraw/zinc/47/58/33/524475833.db2.gz CMSQLGHDDDWAAZ-HNNXBMFYSA-N 1 1 444.000 4.843 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)c(C)c1 ZINC000012453770 524482863 /nfs/dbraw/zinc/48/28/63/524482863.db2.gz BYXSLXQDJZYTEJ-IBGZPJMESA-N 1 1 442.629 4.691 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c(C)c1 ZINC000012594916 524483808 /nfs/dbraw/zinc/48/38/08/524483808.db2.gz UOXYZIBJUYPVMC-GOSISDBHSA-N 1 1 427.614 4.970 50 0 IJAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](CC(C)C)C2CC2)cc1OC ZINC000012898454 525407317 /nfs/dbraw/zinc/40/73/17/525407317.db2.gz GVJJLQNWCSJDOX-HXUWFJFHSA-N 1 1 441.597 4.563 50 0 IJAAMO COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CCC[N@@H+](CCc4ccc(Cl)cc4)C3)cc2c1 ZINC000011949451 525479903 /nfs/dbraw/zinc/47/99/03/525479903.db2.gz FFBUDKUIFXCPSO-LJQANCHMSA-N 1 1 439.987 4.857 50 0 IJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012881581 526169128 /nfs/dbraw/zinc/16/91/28/526169128.db2.gz LXXGQLXJLIKHLA-IBGZPJMESA-N 1 1 445.357 4.694 50 0 IJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012881581 526169134 /nfs/dbraw/zinc/16/91/34/526169134.db2.gz LXXGQLXJLIKHLA-IBGZPJMESA-N 1 1 445.357 4.694 50 0 IJAAMO Cc1cc(Br)ccc1SCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872759 526175503 /nfs/dbraw/zinc/17/55/03/526175503.db2.gz PCVXFHSJTVRJRB-KRWDZBQOSA-N 1 1 437.403 4.786 50 0 IJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000012376956 526423155 /nfs/dbraw/zinc/42/31/55/526423155.db2.gz WNSAZITZPZMZJI-YLJYHZDGSA-N 1 1 440.494 4.755 50 0 IJAAMO Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000022641732 526451488 /nfs/dbraw/zinc/45/14/88/526451488.db2.gz RNZMQIHOIYOPEJ-CQSZACIVSA-N 1 1 425.451 4.543 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1)c1ccccc1Cl ZINC000034681685 555814980 /nfs/dbraw/zinc/81/49/80/555814980.db2.gz IJZQKRNBPGIWIP-UHFFFAOYSA-N 1 1 426.973 4.761 50 0 IJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccco3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681618 555815022 /nfs/dbraw/zinc/81/50/22/555815022.db2.gz URTXMKKCCVBXQM-UHFFFAOYSA-N 1 1 444.457 4.658 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000002915234 555862296 /nfs/dbraw/zinc/86/22/96/555862296.db2.gz OGIYHRCVPCNDAL-ZEQRLZLVSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000002915236 555862380 /nfs/dbraw/zinc/86/23/80/555862380.db2.gz OGIYHRCVPCNDAL-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000002916807 555862714 /nfs/dbraw/zinc/86/27/14/555862714.db2.gz QIXOQKNKXURJFO-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO CN(C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000034922162 555932583 /nfs/dbraw/zinc/93/25/83/555932583.db2.gz KSQCUXFSPXHESB-OAQYLSRUSA-N 1 1 431.511 4.865 50 0 IJAAMO CN(C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000034922161 555932638 /nfs/dbraw/zinc/93/26/38/555932638.db2.gz KSQCUXFSPXHESB-NRFANRHFSA-N 1 1 431.511 4.865 50 0 IJAAMO O=S(=O)(c1ccccc1)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000006161615 556078852 /nfs/dbraw/zinc/07/88/52/556078852.db2.gz VQYATVNWIKJTTI-UHFFFAOYSA-N 1 1 434.605 4.585 50 0 IJAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663507 556344350 /nfs/dbraw/zinc/34/43/50/556344350.db2.gz IIHHYAIOQRLJQJ-JOCHJYFZSA-N 1 1 438.575 4.976 50 0 IJAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663507 556344353 /nfs/dbraw/zinc/34/43/53/556344353.db2.gz IIHHYAIOQRLJQJ-JOCHJYFZSA-N 1 1 438.575 4.976 50 0 IJAAMO c1c(C[N@@H+](CC2CC2)C[C@H]2CCCO2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000011816294 556358787 /nfs/dbraw/zinc/35/87/87/556358787.db2.gz AMAROVSOZYBAKP-XMMPIXPASA-N 1 1 445.563 4.718 50 0 IJAAMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)CCOc4ccc(Cl)cc4)nc(N)c23)C1 ZINC000014067089 556359654 /nfs/dbraw/zinc/35/96/54/556359654.db2.gz DRCUHGKFHPHZRR-CQSZACIVSA-N 1 1 431.005 4.605 50 0 IJAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014125904 556373545 /nfs/dbraw/zinc/37/35/45/556373545.db2.gz MMRVAUOPWCSLIK-QFIPXVFZSA-N 1 1 442.588 4.664 50 0 IJAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996936 556384238 /nfs/dbraw/zinc/38/42/38/556384238.db2.gz FLRIYLNSNFNHLW-MRXNPFEDSA-N 1 1 437.458 4.826 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996936 556384239 /nfs/dbraw/zinc/38/42/39/556384239.db2.gz FLRIYLNSNFNHLW-MRXNPFEDSA-N 1 1 437.458 4.826 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@H+](C2CSCCSC2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012055951 556394223 /nfs/dbraw/zinc/39/42/23/556394223.db2.gz VWRDKTUHJKVSMP-HNNXBMFYSA-N 1 1 432.577 4.985 50 0 IJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccn3-c3nccs3)[N@H+]3CCC[C@@]123 ZINC000012315455 556403330 /nfs/dbraw/zinc/40/33/30/556403330.db2.gz RYQIVWHYPCDZML-NYDSKATKSA-N 1 1 438.984 4.525 50 0 IJAAMO Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028288929 556448783 /nfs/dbraw/zinc/44/87/83/556448783.db2.gz JIABOKAOAXHMKK-KRWDZBQOSA-N 1 1 430.957 4.773 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)c(OC)c1 ZINC000014981201 556470878 /nfs/dbraw/zinc/47/08/78/556470878.db2.gz CNHVINHEHSSBOY-GUWAZMKPSA-N 1 1 440.559 4.665 50 0 IJAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255435 556470944 /nfs/dbraw/zinc/47/09/44/556470944.db2.gz GMAYZXIYQNMXEW-UHFFFAOYSA-N 1 1 444.000 4.950 50 0 IJAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000014981632 556471322 /nfs/dbraw/zinc/47/13/22/556471322.db2.gz JJPPVYOJTQCJFZ-JHVZDVHPSA-N 1 1 430.552 4.516 50 0 IJAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013153155 556493006 /nfs/dbraw/zinc/49/30/06/556493006.db2.gz VMFABBZIIJAPEI-SFHVURJKSA-N 1 1 444.318 4.646 50 0 IJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)NCc1ccccc1Cl ZINC000015077706 556499527 /nfs/dbraw/zinc/49/95/27/556499527.db2.gz CSRJSMHMFQYXJY-KRWDZBQOSA-N 1 1 432.033 4.984 50 0 IJAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1 ZINC000015079398 556500220 /nfs/dbraw/zinc/50/02/20/556500220.db2.gz DMZNQCUIVVOEFZ-QGZVFWFLSA-N 1 1 444.959 4.766 50 0 IJAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000015746367 556548087 /nfs/dbraw/zinc/54/80/87/556548087.db2.gz NFBFVIMXGDDMJI-UHFFFAOYSA-N 1 1 444.362 4.661 50 0 IJAAMO Cc1c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)oc2c1C(=O)CCC2 ZINC000072304636 556548915 /nfs/dbraw/zinc/54/89/15/556548915.db2.gz ZSJYLJGILMTVPY-SFHVURJKSA-N 1 1 448.485 4.634 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc2c1CCCC2 ZINC000015946867 556567809 /nfs/dbraw/zinc/56/78/09/556567809.db2.gz SOLLNVQBBNJMBF-INIZCTEOSA-N 1 1 441.597 4.701 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc2c1CCCC2 ZINC000015946867 556567810 /nfs/dbraw/zinc/56/78/10/556567810.db2.gz SOLLNVQBBNJMBF-INIZCTEOSA-N 1 1 441.597 4.701 50 0 IJAAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015961861 556569391 /nfs/dbraw/zinc/56/93/91/556569391.db2.gz ADLJZQUEYBDTTJ-JOCHJYFZSA-N 1 1 425.536 4.572 50 0 IJAAMO CCOc1ccc(-n2c(C[NH2+][C@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000016047203 556580597 /nfs/dbraw/zinc/58/05/97/556580597.db2.gz SMKOYBMBPBQLKV-DEOSSOPVSA-N 1 1 425.532 4.952 50 0 IJAAMO CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)[NH2+][C@H](c2cc(OC)ccc2OC)[C@H]1C ZINC000245295481 556583493 /nfs/dbraw/zinc/58/34/93/556583493.db2.gz GIMAZQRNBHQQHN-LOBSNCSYSA-N 1 1 429.557 4.664 50 0 IJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(Cn2cccc2)CCCCC1 ZINC000409414812 556640102 /nfs/dbraw/zinc/64/01/02/556640102.db2.gz XGOSMJCMHHAPES-BJKOFHAPSA-N 1 1 429.649 4.568 50 0 biogenic IJAAMO C[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000055061158 556733610 /nfs/dbraw/zinc/73/36/10/556733610.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 1 1 434.559 4.795 50 0 IJAAMO CN(Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000055061158 556733619 /nfs/dbraw/zinc/73/36/19/556733619.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 1 1 434.559 4.795 50 0 IJAAMO CN(Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000055061158 556733621 /nfs/dbraw/zinc/73/36/21/556733621.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 1 1 434.559 4.795 50 0 IJAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734350 /nfs/dbraw/zinc/73/43/50/556734350.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1cc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734353 /nfs/dbraw/zinc/73/43/53/556734353.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 1 1 434.983 4.883 50 0 IJAAMO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734355 /nfs/dbraw/zinc/73/43/55/556734355.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 1 1 434.983 4.883 50 0 IJAAMO Cc1nn(C)c(Cl)c1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055119543 556735388 /nfs/dbraw/zinc/73/53/88/556735388.db2.gz XYHOTFSTMHUBPB-NRFANRHFSA-N 1 1 430.040 4.824 50 0 IJAAMO Cc1nc2sc3c(c2c(N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)n1)CCC3 ZINC000058159907 556764113 /nfs/dbraw/zinc/76/41/13/556764113.db2.gz NZJGSZOHIMYGHH-OAQYLSRUSA-N 1 1 435.641 4.668 50 0 IJAAMO Cc1nc2sc3c(c2c(N[C@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)n1)CCC3 ZINC000058159907 556764114 /nfs/dbraw/zinc/76/41/14/556764114.db2.gz NZJGSZOHIMYGHH-OAQYLSRUSA-N 1 1 435.641 4.668 50 0 IJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccc(F)c2)cc1 ZINC000058171270 556768344 /nfs/dbraw/zinc/76/83/44/556768344.db2.gz CDNSFURZMGJEGQ-SANMLTNESA-N 1 1 445.538 4.598 50 0 IJAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cnc(SC)nc3)CC2)c1 ZINC000019537347 556794502 /nfs/dbraw/zinc/79/45/02/556794502.db2.gz LFUMBFVMRMRAPG-UHFFFAOYSA-N 1 1 448.592 4.725 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3sc4ncccc4c3-n3cccc3)C2)cc1 ZINC000033059881 556816499 /nfs/dbraw/zinc/81/64/99/556816499.db2.gz ZNOYDNNTBIYUKT-FQEVSTJZSA-N 1 1 430.577 4.647 50 0 IJAAMO COc1cc2cc(C[N@@H+]3CC[C@H](N(C)C)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072477127 556973733 /nfs/dbraw/zinc/97/37/33/556973733.db2.gz IQYALHHXRZZIHN-FQEVSTJZSA-N 1 1 425.960 4.708 50 0 IJAAMO COc1cc2cc(C[N@H+]3CC[C@H](N(C)C)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072477127 556973735 /nfs/dbraw/zinc/97/37/35/556973735.db2.gz IQYALHHXRZZIHN-FQEVSTJZSA-N 1 1 425.960 4.708 50 0 IJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)c1 ZINC000020326001 557008126 /nfs/dbraw/zinc/00/81/26/557008126.db2.gz JWRKRXAHDSZNLS-UHFFFAOYSA-N 1 1 427.552 4.530 50 0 IJAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4cc(Cl)sc4Cl)cc3s2)CC1 ZINC000023135838 557018932 /nfs/dbraw/zinc/01/89/32/557018932.db2.gz QCTWOFFRDZPOOT-UHFFFAOYSA-N 1 1 427.382 4.669 50 0 IJAAMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 ZINC000082048347 557056377 /nfs/dbraw/zinc/05/63/77/557056377.db2.gz KFRJJKIFLVUUAD-FQEVSTJZSA-N 1 1 441.568 4.755 50 0 IJAAMO CCC[NH+]1CCN(C(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)CC1 ZINC000033289239 557070577 /nfs/dbraw/zinc/07/05/77/557070577.db2.gz VIHXKHKWSGAANA-UHFFFAOYSA-N 1 1 434.565 4.588 50 0 IJAAMO C/C(=C\C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098055732 557195753 /nfs/dbraw/zinc/19/57/53/557195753.db2.gz ROUHHTJHRGVCJL-FYWRMAATSA-N 1 1 432.490 4.643 50 0 IJAAMO O=C(c1cccc(Br)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000018271155 557254864 /nfs/dbraw/zinc/25/48/64/557254864.db2.gz CZSRMDCNRFCWOP-UHFFFAOYSA-N 1 1 430.733 4.613 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051858 557417059 /nfs/dbraw/zinc/41/70/59/557417059.db2.gz QAEKULLGPXRQHZ-DCFHFQCYSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051858 557417063 /nfs/dbraw/zinc/41/70/63/557417063.db2.gz QAEKULLGPXRQHZ-DCFHFQCYSA-N 1 1 444.575 4.930 50 0 IJAAMO COCCN(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050254 557473955 /nfs/dbraw/zinc/47/39/55/557473955.db2.gz KNPDVXSJUPGDMJ-RBBKRZOGSA-N 1 1 432.605 4.542 50 0 IJAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)c2)on1 ZINC000009268700 562968687 /nfs/dbraw/zinc/96/86/87/562968687.db2.gz VCXXMNQOUSPJKX-UHFFFAOYSA-N 1 1 441.597 4.537 50 0 IJAAMO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3cccnc31)CCO2 ZINC000012028308 562980428 /nfs/dbraw/zinc/98/04/28/562980428.db2.gz CKZVWYBIJPVKST-MUUNZHRXSA-N 1 1 440.543 4.916 50 0 IJAAMO COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sccc32)cc1 ZINC000037526199 563095917 /nfs/dbraw/zinc/09/59/17/563095917.db2.gz YSVJMZUQIVIFAR-UHFFFAOYSA-N 1 1 445.588 4.718 50 0 IJAAMO C[C@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015944 563143058 /nfs/dbraw/zinc/14/30/58/563143058.db2.gz NMEGQXPTZNDYOB-CVDCTZTESA-N 1 1 426.630 4.632 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982889 568622683 /nfs/dbraw/zinc/62/26/83/568622683.db2.gz YYKWXHIMKIRGAC-LEWJYISDSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982889 568622687 /nfs/dbraw/zinc/62/26/87/568622687.db2.gz YYKWXHIMKIRGAC-LEWJYISDSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)C1 ZINC000104984219 568622919 /nfs/dbraw/zinc/62/29/19/568622919.db2.gz LFEOCHOWKMPYEG-CLJLJLNGSA-N 1 1 444.575 4.568 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984826 568623431 /nfs/dbraw/zinc/62/34/31/568623431.db2.gz BEOUDJBUXCHTII-LOSJGSFVSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984826 568623432 /nfs/dbraw/zinc/62/34/32/568623432.db2.gz BEOUDJBUXCHTII-LOSJGSFVSA-N 1 1 448.538 4.569 50 0 IJAAMO COCCOc1c(Cl)cccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000084714593 568800301 /nfs/dbraw/zinc/80/03/01/568800301.db2.gz WDXPUOQDUUUXML-GCJKJVERSA-N 1 1 445.991 4.740 50 0 IJAAMO CNC(=O)c1cc(Cc2ccc3[nH+]c(Nc4cccc(C(F)(F)F)c4)[nH]c3c2)ccn1 ZINC000085393777 568816973 /nfs/dbraw/zinc/81/69/73/568816973.db2.gz JWPISWJKEFVTNW-UHFFFAOYSA-N 1 1 425.414 4.671 50 0 IJAAMO CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1C ZINC000085698126 568834464 /nfs/dbraw/zinc/83/44/64/568834464.db2.gz QVROVGCXYINECL-UHFFFAOYSA-N 1 1 445.563 4.895 50 0 IJAAMO CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1C ZINC000085698126 568834465 /nfs/dbraw/zinc/83/44/65/568834465.db2.gz QVROVGCXYINECL-UHFFFAOYSA-N 1 1 445.563 4.895 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000239386686 568911380 /nfs/dbraw/zinc/91/13/80/568911380.db2.gz PZFKBUVCFMKXLV-SFTDATJTSA-N 1 1 435.549 4.865 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000239386686 568911383 /nfs/dbraw/zinc/91/13/83/568911383.db2.gz PZFKBUVCFMKXLV-SFTDATJTSA-N 1 1 435.549 4.865 50 0 IJAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000089548082 568937262 /nfs/dbraw/zinc/93/72/62/568937262.db2.gz DLUOLNUWOQNETR-WZONZLPQSA-N 1 1 441.934 4.794 50 0 IJAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991106 568941827 /nfs/dbraw/zinc/94/18/27/568941827.db2.gz BQBCJGFSDCSDBZ-MBSDFSHPSA-N 1 1 441.616 4.762 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801328 568960982 /nfs/dbraw/zinc/96/09/82/568960982.db2.gz IUENUPOPJZNWQQ-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO CC(C)N(C)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036248953 568983054 /nfs/dbraw/zinc/98/30/54/568983054.db2.gz BGMDQBIYLHDCQN-DEOSSOPVSA-N 1 1 449.595 4.728 50 0 IJAAMO CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)(C)C ZINC000036313482 568998553 /nfs/dbraw/zinc/99/85/53/568998553.db2.gz JDZGZYQOPDNEDC-UHFFFAOYSA-N 1 1 440.632 4.904 50 0 IJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036341694 569078965 /nfs/dbraw/zinc/07/89/65/569078965.db2.gz LIVJAOYXZVYAQJ-RUZDIDTESA-N 1 1 449.595 4.730 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC)C(C)C ZINC000036345817 569080915 /nfs/dbraw/zinc/08/09/15/569080915.db2.gz VWJURHWSHVSZLE-NRFANRHFSA-N 1 1 441.547 4.584 50 0 IJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345989 569080938 /nfs/dbraw/zinc/08/09/38/569080938.db2.gz CDYPOPOKDHKAFJ-NRFANRHFSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345989 569080939 /nfs/dbraw/zinc/08/09/39/569080939.db2.gz CDYPOPOKDHKAFJ-NRFANRHFSA-N 1 1 441.547 4.722 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346324 569081206 /nfs/dbraw/zinc/08/12/06/569081206.db2.gz UZXREUAOSIIJIU-AVRDEDQJSA-N 1 1 441.547 4.720 50 0 IJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346725 569081321 /nfs/dbraw/zinc/08/13/21/569081321.db2.gz CVLMCRTVGMIXQQ-NRFANRHFSA-N 1 1 427.495 4.987 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025818 569090743 /nfs/dbraw/zinc/09/07/43/569090743.db2.gz UCUMRKLKDZMEAU-FQEVSTJZSA-N 1 1 435.616 4.883 50 0 IJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891092 569165652 /nfs/dbraw/zinc/16/56/52/569165652.db2.gz WOVOTASTWRZPLK-UZUQRXQVSA-N 1 1 441.547 4.708 50 0 IJAAMO CC[C@H](C)NC(=O)c1c(N)n(-c2ccc([NH+](CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002437577 569303939 /nfs/dbraw/zinc/30/39/39/569303939.db2.gz CERJWKQGJPADFY-INIZCTEOSA-N 1 1 430.556 4.530 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000095446719 569367350 /nfs/dbraw/zinc/36/73/50/569367350.db2.gz GOPDMENHUAQUOJ-HHHXNRCGSA-N 1 1 442.607 4.975 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000095446719 569367351 /nfs/dbraw/zinc/36/73/51/569367351.db2.gz GOPDMENHUAQUOJ-HHHXNRCGSA-N 1 1 442.607 4.975 50 0 IJAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000096281798 569390067 /nfs/dbraw/zinc/39/00/67/569390067.db2.gz QIRRGZDBIHLBSI-FYYLOGMGSA-N 1 1 446.994 4.826 50 0 IJAAMO O=C(NCc1ccc(Cl)cc1)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225631477 569406184 /nfs/dbraw/zinc/40/61/84/569406184.db2.gz ZNLMCGVBTGNVFS-DEOSSOPVSA-N 1 1 442.003 4.695 50 0 IJAAMO Cc1ccnc2ccc(C(=O)N3CCC([N@H+]4CCC[C@@H]4COCc4ccccc4)CC3)cc12 ZINC000225630952 569406219 /nfs/dbraw/zinc/40/62/19/569406219.db2.gz ZTSKGTPSAGTRRH-RUZDIDTESA-N 1 1 443.591 4.829 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)c1 ZINC000002915247 569425065 /nfs/dbraw/zinc/42/50/65/569425065.db2.gz TYZHQMGJOCTEAY-DQEYMECFSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000003354695 569447601 /nfs/dbraw/zinc/44/76/01/569447601.db2.gz GCWHRTJPSZXURG-UHFFFAOYSA-N 1 1 437.927 4.671 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000003354695 569447602 /nfs/dbraw/zinc/44/76/02/569447602.db2.gz GCWHRTJPSZXURG-UHFFFAOYSA-N 1 1 437.927 4.671 50 0 IJAAMO Cc1cccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)c1 ZINC000009170136 569509271 /nfs/dbraw/zinc/50/92/71/569509271.db2.gz CLNSIKDNQYFEGP-YQVWRLOYSA-N 1 1 433.807 4.702 50 0 biogenic IJAAMO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000009671661 569558602 /nfs/dbraw/zinc/55/86/02/569558602.db2.gz DDTBTJPYLVVOBT-IBGZPJMESA-N 1 1 438.528 4.694 50 0 IJAAMO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517386 193928309 /nfs/dbraw/zinc/92/83/09/193928309.db2.gz MFRRTMMMZDOFQG-NPMXOYFQSA-N 1 1 434.565 4.749 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C(F)(F)F)n[nH]4)C3)C2)cc1 ZINC000012433558 519836052 /nfs/dbraw/zinc/83/60/52/519836052.db2.gz VTQUWPHCXJAEEY-JOCHJYFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)C2)cc1 ZINC000012433558 519836053 /nfs/dbraw/zinc/83/60/53/519836053.db2.gz VTQUWPHCXJAEEY-JOCHJYFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)C2)cc1 ZINC000012433558 519836054 /nfs/dbraw/zinc/83/60/54/519836054.db2.gz VTQUWPHCXJAEEY-JOCHJYFZSA-N 1 1 434.506 4.680 50 0 IJAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355147 520401520 /nfs/dbraw/zinc/40/15/20/520401520.db2.gz QLOHBZGXUKNNPK-XQNSMLJCSA-N 1 1 437.609 4.932 50 0 IJAAMO CCCC[N@@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1F ZINC000012151649 520421667 /nfs/dbraw/zinc/42/16/67/520421667.db2.gz HYJZEUCTVIFRLM-UHFFFAOYSA-N 1 1 429.517 4.706 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CCCC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042957 523047945 /nfs/dbraw/zinc/04/79/45/523047945.db2.gz BKNIKJMIFLJZRD-BCHFMIIMSA-N 1 1 436.596 4.807 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CCCC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042957 523047955 /nfs/dbraw/zinc/04/79/55/523047955.db2.gz BKNIKJMIFLJZRD-BCHFMIIMSA-N 1 1 436.596 4.807 50 0 IJAAMO C[N@@H+](Cc1ccc(OCCNC(=O)c2cncs2)cc1)Cc1cccc2ccccc21 ZINC000012244218 523273674 /nfs/dbraw/zinc/27/36/74/523273674.db2.gz HABIPZWLWQSPKD-UHFFFAOYSA-N 1 1 431.561 4.737 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cc1 ZINC000012212837 523405533 /nfs/dbraw/zinc/40/55/33/523405533.db2.gz LCJKIRWXYIGIAU-IZRJIQLISA-N 1 1 439.625 4.958 50 0 IJAAMO COCCN(Cc1nc(C(C)C)cs1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012709551 523774485 /nfs/dbraw/zinc/77/44/85/523774485.db2.gz AVFNCYGTBPFGFE-HXUWFJFHSA-N 1 1 427.658 4.594 50 0 IJAAMO COc1ccc(C(=O)c2cnc3ccccc3c2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021158483 523782136 /nfs/dbraw/zinc/78/21/36/523782136.db2.gz KMURHFTZULYSSJ-UHFFFAOYSA-N 1 1 437.543 4.797 50 0 IJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c(C)c1 ZINC000012434852 524482570 /nfs/dbraw/zinc/48/25/70/524482570.db2.gz PUUMMVDSEUNQHD-NRFANRHFSA-N 1 1 432.568 4.820 50 0 IJAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012852973 524914555 /nfs/dbraw/zinc/91/45/55/524914555.db2.gz YWWVPJYQPBJKOL-LJQANCHMSA-N 1 1 444.325 4.910 50 0 IJAAMO Cc1ccc(NCc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000020576317 525284961 /nfs/dbraw/zinc/28/49/61/525284961.db2.gz LQUJKYBPMGKSRA-UHFFFAOYSA-N 1 1 444.608 4.572 50 0 IJAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012525033 525463542 /nfs/dbraw/zinc/46/35/42/525463542.db2.gz INROXQRQIHMQOO-QFIPXVFZSA-N 1 1 434.628 4.780 50 0 IJAAMO COc1cccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1OC ZINC000012857167 525878395 /nfs/dbraw/zinc/87/83/95/525878395.db2.gz GYNNXJAIFJJUBI-UHFFFAOYSA-N 1 1 444.575 4.570 50 0 IJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000012651299 526193641 /nfs/dbraw/zinc/19/36/41/526193641.db2.gz OSPIDPFZYXYNBW-QFBILLFUSA-N 1 1 434.392 4.624 50 0 IJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000012696257 526195528 /nfs/dbraw/zinc/19/55/28/526195528.db2.gz UXYGMFTYLAESNQ-MAUKXSAKSA-N 1 1 444.906 4.664 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538080 526248857 /nfs/dbraw/zinc/24/88/57/526248857.db2.gz SAUNFLILAJDPFT-NRFANRHFSA-N 1 1 448.611 4.595 50 0 IJAAMO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785647 526291250 /nfs/dbraw/zinc/29/12/50/526291250.db2.gz FBGRHOIEMILNDA-GOSISDBHSA-N 1 1 442.972 4.734 50 0 IJAAMO Cc1nn2c(ncc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2C)c1-c1cccc(C)c1 ZINC000021537899 526312921 /nfs/dbraw/zinc/31/29/21/526312921.db2.gz CWHZHZDKFWMKLO-UHFFFAOYSA-N 1 1 441.579 4.573 50 0 IJAAMO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(Cc4nc(COc5ccccc5)no4)C3)C2)cc1 ZINC000012472086 526470008 /nfs/dbraw/zinc/47/00/08/526470008.db2.gz YEWFSVPHLHRDLG-SANMLTNESA-N 1 1 432.568 4.527 50 0 IJAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000012306232 526729010 /nfs/dbraw/zinc/72/90/10/526729010.db2.gz UHVNZKDWXXSJST-INIZCTEOSA-N 1 1 428.920 4.673 50 0 IJAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012464806 527255700 /nfs/dbraw/zinc/25/57/00/527255700.db2.gz IUJJQVMZDBVPHR-QFIPXVFZSA-N 1 1 425.536 4.784 50 0 IJAAMO O=C(Nc1cccc(Br)c1)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532105 527323414 /nfs/dbraw/zinc/32/34/14/527323414.db2.gz ZXGIICJBNZWUAG-QGZVFWFLSA-N 1 1 428.374 4.751 50 0 IJAAMO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908076 527515477 /nfs/dbraw/zinc/51/54/77/527515477.db2.gz CJSIIHYWWFRQMA-FYYLOGMGSA-N 1 1 449.561 4.760 50 0 IJAAMO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034681753 555815322 /nfs/dbraw/zinc/81/53/22/555815322.db2.gz YFFHERXJGVBKED-UHFFFAOYSA-N 1 1 434.971 4.629 50 0 IJAAMO CC(C)(C)C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681848 555815339 /nfs/dbraw/zinc/81/53/39/555815339.db2.gz CVHFMJXDGVRQDO-UHFFFAOYSA-N 1 1 434.506 4.797 50 0 IJAAMO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683196 555818431 /nfs/dbraw/zinc/81/84/31/555818431.db2.gz NGEMXAOGOQOFPC-UHFFFAOYSA-N 1 1 444.547 4.649 50 0 IJAAMO O=C(NCc1ccccc1F)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684601 555820088 /nfs/dbraw/zinc/82/00/88/555820088.db2.gz MYNHRXGTNMICKG-UHFFFAOYSA-N 1 1 437.946 4.731 50 0 IJAAMO COCCN(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740521 555883672 /nfs/dbraw/zinc/88/36/72/555883672.db2.gz KNPDVXSJUPGDMJ-UNMCSNQZSA-N 1 1 432.605 4.542 50 0 IJAAMO CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccccc32)C1 ZINC000034868208 555925649 /nfs/dbraw/zinc/92/56/49/555925649.db2.gz FWIDIZNLGZOMBQ-IBGZPJMESA-N 1 1 432.520 4.644 50 0 IJAAMO COc1cc(Br)c(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1OC ZINC000584904419 556121103 /nfs/dbraw/zinc/12/11/03/556121103.db2.gz RIZMQLCYQXOBMY-UGKGYDQZSA-N 1 1 437.422 4.695 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)ccc1OCc1ccccc1 ZINC000009831799 556312667 /nfs/dbraw/zinc/31/26/67/556312667.db2.gz IERIYVKOPINVAE-DEOSSOPVSA-N 1 1 436.596 4.889 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cccn1 ZINC000011699737 556347202 /nfs/dbraw/zinc/34/72/02/556347202.db2.gz JVNKLTXVWJXWLJ-QHCPKHFHSA-N 1 1 447.579 4.822 50 0 IJAAMO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000013961465 556349000 /nfs/dbraw/zinc/34/90/00/556349000.db2.gz NVGCVCBJEFSSEV-UHFFFAOYSA-N 1 1 445.611 4.684 50 0 IJAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000011783636 556352041 /nfs/dbraw/zinc/35/20/41/556352041.db2.gz QCPFRLVNDFPIRR-HSZRJFAPSA-N 1 1 437.971 4.780 50 0 IJAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)o1 ZINC000011874632 556370733 /nfs/dbraw/zinc/37/07/33/556370733.db2.gz KTAPQKDDOKNISQ-FQEVSTJZSA-N 1 1 434.536 4.952 50 0 IJAAMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053020 556392872 /nfs/dbraw/zinc/39/28/72/556392872.db2.gz DCQJHLKIVPUIMA-LJQANCHMSA-N 1 1 432.549 4.805 50 0 IJAAMO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053020 556392875 /nfs/dbraw/zinc/39/28/75/556392875.db2.gz DCQJHLKIVPUIMA-LJQANCHMSA-N 1 1 432.549 4.805 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073879 556396864 /nfs/dbraw/zinc/39/68/64/556396864.db2.gz QVJSOVJELVVJAJ-HSZRJFAPSA-N 1 1 446.547 4.851 50 0 IJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073879 556396866 /nfs/dbraw/zinc/39/68/66/556396866.db2.gz QVJSOVJELVVJAJ-HSZRJFAPSA-N 1 1 446.547 4.851 50 0 IJAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1C ZINC000012302409 556403352 /nfs/dbraw/zinc/40/33/52/556403352.db2.gz NFTYPUCRQOSTLA-OAQYLSRUSA-N 1 1 431.536 4.989 50 0 IJAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)c1 ZINC000032622408 556409926 /nfs/dbraw/zinc/40/99/26/556409926.db2.gz KDCOOQDIZWTJDX-HSZRJFAPSA-N 1 1 449.551 4.624 50 0 IJAAMO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012974840 556420921 /nfs/dbraw/zinc/42/09/21/556420921.db2.gz DQQFXWHUIVWMQD-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012974840 556420923 /nfs/dbraw/zinc/42/09/23/556420923.db2.gz DQQFXWHUIVWMQD-UHFFFAOYSA-N 1 1 448.272 4.911 50 0 IJAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C4CCCC4)s3)C2)cc1 ZINC000014976550 556468787 /nfs/dbraw/zinc/46/87/87/556468787.db2.gz WZSSGCJRLAAPMX-FQEVSTJZSA-N 1 1 426.626 4.985 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)c(OC)c1 ZINC000014981203 556470886 /nfs/dbraw/zinc/47/08/86/556470886.db2.gz CNHVINHEHSSBOY-LAEWNIMASA-N 1 1 440.559 4.665 50 0 IJAAMO O=C(CCC1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1)Nc1ccccc1 ZINC000015062865 556491059 /nfs/dbraw/zinc/49/10/59/556491059.db2.gz NBHNYDDXTURAID-XMMPIXPASA-N 1 1 433.596 4.524 50 0 IJAAMO COc1ccc([C@@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc2)cc1 ZINC000032718924 556518274 /nfs/dbraw/zinc/51/82/74/556518274.db2.gz STMQRPQNWDCDIG-QHCPKHFHSA-N 1 1 431.561 4.751 50 0 IJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860523 556558646 /nfs/dbraw/zinc/55/86/46/556558646.db2.gz GVAVQSQBMCHJIS-IBGZPJMESA-N 1 1 442.943 4.859 50 0 IJAAMO CSc1cccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c1 ZINC000033326800 556561729 /nfs/dbraw/zinc/56/17/29/556561729.db2.gz GAGKFEYGGZZJFY-UHFFFAOYSA-N 1 1 448.596 4.913 50 0 IJAAMO COc1cc2c(cc1OC)C1(CCCC1)CC[N@@H+](C)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000022589393 556578169 /nfs/dbraw/zinc/57/81/69/556578169.db2.gz CYYLCMOFLYTNBW-XMMPIXPASA-N 1 1 441.568 4.966 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)C3CCCCC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000036341245 556627430 /nfs/dbraw/zinc/62/74/30/556627430.db2.gz FJCINNMBPZOFNU-VWLOTQADSA-N 1 1 435.568 4.646 50 0 IJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(=O)OC)C1 ZINC000011882581 556668750 /nfs/dbraw/zinc/66/87/50/556668750.db2.gz QEPJOTWZPDGSLF-UHFFFAOYSA-N 1 1 436.533 4.957 50 0 IJAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(=O)OC)C1 ZINC000011882581 556668752 /nfs/dbraw/zinc/66/87/52/556668752.db2.gz QEPJOTWZPDGSLF-UHFFFAOYSA-N 1 1 436.533 4.957 50 0 IJAAMO COc1ccc(OC[C@@H](O)CNCC2([NH+]3CCCCC3)CCCCC2)c(C(C)(C)C)c1 ZINC000019365078 556746039 /nfs/dbraw/zinc/74/60/39/556746039.db2.gz CPQOFYKAQAVQAM-NRFANRHFSA-N 1 1 432.649 4.511 50 0 IJAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165723 556759669 /nfs/dbraw/zinc/75/96/69/556759669.db2.gz XXQHERWZHXDJMQ-INIZCTEOSA-N 1 1 430.430 4.606 50 0 IJAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165723 556759671 /nfs/dbraw/zinc/75/96/71/556759671.db2.gz XXQHERWZHXDJMQ-INIZCTEOSA-N 1 1 430.430 4.606 50 0 IJAAMO Cc1ccc(NC(=O)CN2CCC[C@H]2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000058434844 556788429 /nfs/dbraw/zinc/78/84/29/556788429.db2.gz ZMFJFVWMLQEKEL-QPPBQGQZSA-N 1 1 426.004 4.964 50 0 IJAAMO CC(C)CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000059322802 556797769 /nfs/dbraw/zinc/79/77/69/556797769.db2.gz YSAUPWXIHXWENX-AHKZPQOWSA-N 1 1 425.661 4.792 50 0 IJAAMO CC(C)CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)CCC1=O ZINC000059322802 556797771 /nfs/dbraw/zinc/79/77/71/556797771.db2.gz YSAUPWXIHXWENX-AHKZPQOWSA-N 1 1 425.661 4.792 50 0 IJAAMO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491413 556843045 /nfs/dbraw/zinc/84/30/45/556843045.db2.gz QAWAZXVILFINJW-HSZRJFAPSA-N 1 1 427.552 4.891 50 0 IJAAMO c1cn(CC[C@H]2CCCC[N@H+]2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491413 556843048 /nfs/dbraw/zinc/84/30/48/556843048.db2.gz QAWAZXVILFINJW-HSZRJFAPSA-N 1 1 427.552 4.891 50 0 IJAAMO CCC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000033106297 556858630 /nfs/dbraw/zinc/85/86/30/556858630.db2.gz VQWIZCWVALNEJC-IBGZPJMESA-N 1 1 444.579 4.855 50 0 IJAAMO Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000033139663 556874550 /nfs/dbraw/zinc/87/45/50/556874550.db2.gz LHBKCIUXASMVKO-UHFFFAOYSA-N 1 1 448.586 4.688 50 0 IJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954088 556954566 /nfs/dbraw/zinc/95/45/66/556954566.db2.gz ACYPPMWNYDPXTR-DEOSSOPVSA-N 1 1 445.529 4.695 50 0 IJAAMO CC(=O)c1cccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954088 556954572 /nfs/dbraw/zinc/95/45/72/556954572.db2.gz ACYPPMWNYDPXTR-DEOSSOPVSA-N 1 1 445.529 4.695 50 0 IJAAMO CCOCN(C(=O)Cn1c(C[NH+]2CCCC2)nc2ccccc21)c1c(C)cccc1CC ZINC000023042554 556985770 /nfs/dbraw/zinc/98/57/70/556985770.db2.gz YJEKTBPKWAECPL-UHFFFAOYSA-N 1 1 434.584 4.530 50 0 IJAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212612 556998959 /nfs/dbraw/zinc/99/89/59/556998959.db2.gz GJOACKUMOPCMMP-UHFFFAOYSA-N 1 1 438.369 4.614 50 0 IJAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032240 557024820 /nfs/dbraw/zinc/02/48/20/557024820.db2.gz NKCCMJZVSOPEIS-UHFFFAOYSA-N 1 1 436.556 4.835 50 0 IJAAMO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032240 557024823 /nfs/dbraw/zinc/02/48/23/557024823.db2.gz NKCCMJZVSOPEIS-UHFFFAOYSA-N 1 1 436.556 4.835 50 0 IJAAMO C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181246 557045304 /nfs/dbraw/zinc/04/53/04/557045304.db2.gz LBBOTFUYMWJUOG-YADARESESA-N 1 1 437.584 4.565 50 0 IJAAMO C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181236 557045439 /nfs/dbraw/zinc/04/54/39/557045439.db2.gz MWWGIONUPWDDSS-DVECYGJZSA-N 1 1 437.584 4.565 50 0 IJAAMO O=C(C[NH+]1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(Cl)cc1 ZINC000049403629 557099249 /nfs/dbraw/zinc/09/92/49/557099249.db2.gz UIACRAFKALXLOP-UHFFFAOYSA-N 1 1 445.350 4.539 50 0 IJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000033318486 557100174 /nfs/dbraw/zinc/10/01/74/557100174.db2.gz BIXVDFCUQSYLRK-UHFFFAOYSA-N 1 1 443.960 4.583 50 0 IJAAMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c12 ZINC000023243774 557123298 /nfs/dbraw/zinc/12/32/98/557123298.db2.gz URLVFJFAVVFALQ-UHFFFAOYSA-N 1 1 440.547 4.855 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908546 557125316 /nfs/dbraw/zinc/12/53/16/557125316.db2.gz KMKMNLDRYMLLCL-HHHXNRCGSA-N 1 1 443.591 4.605 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000023908546 557125318 /nfs/dbraw/zinc/12/53/18/557125318.db2.gz KMKMNLDRYMLLCL-HHHXNRCGSA-N 1 1 443.591 4.605 50 0 IJAAMO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024924999 557179546 /nfs/dbraw/zinc/17/95/46/557179546.db2.gz NKWHDUQKZIRZMP-SFHVURJKSA-N 1 1 444.362 4.972 50 0 IJAAMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1)c1ccco1 ZINC000010975812 557200433 /nfs/dbraw/zinc/20/04/33/557200433.db2.gz DKONCGDIRMQFCF-UHFFFAOYSA-N 1 1 437.927 4.533 50 0 IJAAMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1)c1ccco1 ZINC000010975812 557200434 /nfs/dbraw/zinc/20/04/34/557200434.db2.gz DKONCGDIRMQFCF-UHFFFAOYSA-N 1 1 437.927 4.533 50 0 IJAAMO O=C1C[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000100932391 557203364 /nfs/dbraw/zinc/20/33/64/557203364.db2.gz IBFGYAGBYFIGTB-QFIPXVFZSA-N 1 1 449.348 4.783 50 0 IJAAMO COc1ccc(-c2noc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1OC ZINC000025455124 557210437 /nfs/dbraw/zinc/21/04/37/557210437.db2.gz LOAQNDKVDXKUTN-QFIPXVFZSA-N 1 1 427.504 4.902 50 0 IJAAMO COc1ccc(-c2noc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1OC ZINC000025455124 557210439 /nfs/dbraw/zinc/21/04/39/557210439.db2.gz LOAQNDKVDXKUTN-QFIPXVFZSA-N 1 1 427.504 4.902 50 0 IJAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344517 557260407 /nfs/dbraw/zinc/26/04/07/557260407.db2.gz QOQUKCKXRAULSY-JOCHJYFZSA-N 1 1 440.950 4.849 50 0 IJAAMO CC(C)C[N@H+]1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)C[C@@H]1C ZINC000102128399 557312950 /nfs/dbraw/zinc/31/29/50/557312950.db2.gz RHDAWXXZLRTUPG-KRWDZBQOSA-N 1 1 434.975 4.764 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1 ZINC000033069191 557323717 /nfs/dbraw/zinc/32/37/17/557323717.db2.gz APPOUZGKYRRVTP-UHFFFAOYSA-N 1 1 440.906 4.723 50 0 IJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1 ZINC000033069191 557323719 /nfs/dbraw/zinc/32/37/19/557323719.db2.gz APPOUZGKYRRVTP-UHFFFAOYSA-N 1 1 440.906 4.723 50 0 IJAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1OCC ZINC000033318326 557332817 /nfs/dbraw/zinc/33/28/17/557332817.db2.gz OVZBQUNXTDBVBT-UHFFFAOYSA-N 1 1 435.528 4.644 50 0 IJAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1OCC ZINC000033318326 557332820 /nfs/dbraw/zinc/33/28/20/557332820.db2.gz OVZBQUNXTDBVBT-UHFFFAOYSA-N 1 1 435.528 4.644 50 0 IJAAMO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)c1 ZINC000023332557 557345671 /nfs/dbraw/zinc/34/56/71/557345671.db2.gz LUICVCWXUHHHOC-AREMUKBSSA-N 1 1 430.548 4.560 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000103051988 557416901 /nfs/dbraw/zinc/41/69/01/557416901.db2.gz WRNMAPOFJBYEKC-UUOWRZLLSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000103051988 557416903 /nfs/dbraw/zinc/41/69/03/557416903.db2.gz WRNMAPOFJBYEKC-UUOWRZLLSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C3CSCCSC3)C2)cc1Cl ZINC000012055920 557525688 /nfs/dbraw/zinc/52/56/88/557525688.db2.gz FABCDNJSBYBYHL-OAHLLOKOSA-N 1 1 429.051 4.628 50 0 IJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776410 557836611 /nfs/dbraw/zinc/83/66/11/557836611.db2.gz WVXMZNBDZCJBFX-WUMKDDEVSA-N 1 1 427.928 4.620 50 0 IJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776410 557836613 /nfs/dbraw/zinc/83/66/13/557836613.db2.gz WVXMZNBDZCJBFX-WUMKDDEVSA-N 1 1 427.928 4.620 50 0 IJAAMO CC[C@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)[NH+](C)C ZINC000239667832 557845025 /nfs/dbraw/zinc/84/50/25/557845025.db2.gz BRROHCAMCVLOSP-UKRRQHHQSA-N 1 1 444.454 4.595 50 0 IJAAMO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3cccnc31)CCO2 ZINC000012028311 562980415 /nfs/dbraw/zinc/98/04/15/562980415.db2.gz CKZVWYBIJPVKST-NDEPHWFRSA-N 1 1 440.543 4.916 50 0 IJAAMO C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182686 568616003 /nfs/dbraw/zinc/61/60/03/568616003.db2.gz JMUYSAXUESGRJN-WZONZLPQSA-N 1 1 438.572 4.961 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984463 568623195 /nfs/dbraw/zinc/62/31/95/568623195.db2.gz GJEGMAMBLPROLE-WOJBJXKFSA-N 1 1 448.966 4.650 50 0 IJAAMO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)oc(C)c1C(C)=O ZINC000012615526 568754965 /nfs/dbraw/zinc/75/49/65/568754965.db2.gz UYEJPPXVFPHTJL-DEOSSOPVSA-N 1 1 448.519 4.593 50 0 IJAAMO CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032216 568786573 /nfs/dbraw/zinc/78/65/73/568786573.db2.gz GRAMSSMBRKRELY-UHFFFAOYSA-N 1 1 428.577 4.996 50 0 IJAAMO CCOCCOCc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000084802724 568801537 /nfs/dbraw/zinc/80/15/37/568801537.db2.gz JMQSCEBMSHIXEY-NRFANRHFSA-N 1 1 439.600 4.793 50 0 IJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000015669153 568801899 /nfs/dbraw/zinc/80/18/99/568801899.db2.gz YTXREKBONILCFE-UHFFFAOYSA-N 1 1 437.931 4.670 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649927 568831284 /nfs/dbraw/zinc/83/12/84/568831284.db2.gz IFKPJZQBMJBLFZ-FQEVSTJZSA-N 1 1 429.568 4.882 50 0 IJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000248151284 568902575 /nfs/dbraw/zinc/90/25/75/568902575.db2.gz HDWMZLOXEHLERX-IDCRYQTOSA-N 1 1 430.633 4.696 50 0 biogenic IJAAMO CCOC(=O)c1sc2nc(C[NH+]3CCCCCC3)nc(N3CCCCCC3)c2c1C ZINC000006585102 568933918 /nfs/dbraw/zinc/93/39/18/568933918.db2.gz NOZLOOSXODZAGU-UHFFFAOYSA-N 1 1 430.618 4.933 50 0 IJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1onc2c1CCCC2 ZINC000426361312 568940908 /nfs/dbraw/zinc/94/09/08/568940908.db2.gz YDJFHBGFJLXGOP-SFHVURJKSA-N 1 1 449.517 4.599 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063938 568945117 /nfs/dbraw/zinc/94/51/17/568945117.db2.gz VPUOFJFTKSAJIM-SFHVURJKSA-N 1 1 425.529 4.643 50 0 IJAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063938 568945118 /nfs/dbraw/zinc/94/51/18/568945118.db2.gz VPUOFJFTKSAJIM-SFHVURJKSA-N 1 1 425.529 4.643 50 0 IJAAMO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102945 568952949 /nfs/dbraw/zinc/95/29/49/568952949.db2.gz WCBRMCPHLMXWDF-QFIPXVFZSA-N 1 1 429.919 4.930 50 0 IJAAMO COc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102945 568952951 /nfs/dbraw/zinc/95/29/51/568952951.db2.gz WCBRMCPHLMXWDF-QFIPXVFZSA-N 1 1 429.919 4.930 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801100 568960946 /nfs/dbraw/zinc/96/09/46/568960946.db2.gz AYJKZQNZRNBOMX-UHFFFAOYSA-N 1 1 439.519 4.771 50 0 IJAAMO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000064801346 568960974 /nfs/dbraw/zinc/96/09/74/568960974.db2.gz ACFJZTHBTVTEJV-UHFFFAOYSA-N 1 1 432.528 4.572 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145982 568962223 /nfs/dbraw/zinc/96/22/23/568962223.db2.gz YYKWXHIMKIRGAC-SFTDATJTSA-N 1 1 448.966 4.650 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145982 568962226 /nfs/dbraw/zinc/96/22/26/568962226.db2.gz YYKWXHIMKIRGAC-SFTDATJTSA-N 1 1 448.966 4.650 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COc1ccccc1 ZINC000036246069 568981643 /nfs/dbraw/zinc/98/16/43/568981643.db2.gz RYCNVKWQRWZOKB-JOCHJYFZSA-N 1 1 437.584 4.840 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+]2CCCC[C@H]2C)[C@@H](c2ccccc2Cl)C1 ZINC000169678052 568990487 /nfs/dbraw/zinc/99/04/87/568990487.db2.gz MDYUVQJJKIKMAP-VGOFRKELSA-N 1 1 425.960 4.901 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000036340934 569078949 /nfs/dbraw/zinc/07/89/49/569078949.db2.gz JYMMBMNLYANFMC-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000036340934 569078950 /nfs/dbraw/zinc/07/89/50/569078950.db2.gz JYMMBMNLYANFMC-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341651 569079374 /nfs/dbraw/zinc/07/93/74/569079374.db2.gz CEPWPHHPKLJCHR-VWLOTQADSA-N 1 1 443.547 4.514 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341651 569079375 /nfs/dbraw/zinc/07/93/75/569079375.db2.gz CEPWPHHPKLJCHR-VWLOTQADSA-N 1 1 443.547 4.514 50 0 IJAAMO COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036345647 569080689 /nfs/dbraw/zinc/08/06/89/569080689.db2.gz ZNSCOPGUCCBWAB-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036345647 569080690 /nfs/dbraw/zinc/08/06/90/569080690.db2.gz ZNSCOPGUCCBWAB-SANMLTNESA-N 1 1 427.548 4.813 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC ZINC000036345933 569080786 /nfs/dbraw/zinc/08/07/86/569080786.db2.gz BMRGXNPHMJOYHW-QHCPKHFHSA-N 1 1 437.584 4.891 50 0 IJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345990 569080843 /nfs/dbraw/zinc/08/08/43/569080843.db2.gz CDYPOPOKDHKAFJ-OAQYLSRUSA-N 1 1 441.547 4.722 50 0 IJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345990 569080844 /nfs/dbraw/zinc/08/08/44/569080844.db2.gz CDYPOPOKDHKAFJ-OAQYLSRUSA-N 1 1 441.547 4.722 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036345871 569080849 /nfs/dbraw/zinc/08/08/49/569080849.db2.gz DRRGDYPUKSYHRT-HSZRJFAPSA-N 1 1 437.584 4.889 50 0 IJAAMO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346789 569081386 /nfs/dbraw/zinc/08/13/86/569081386.db2.gz DTZBLVZIQCDRNQ-QFIPXVFZSA-N 1 1 437.584 4.653 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025817 569090784 /nfs/dbraw/zinc/09/07/84/569090784.db2.gz UCUMRKLKDZMEAU-HXUWFJFHSA-N 1 1 435.616 4.883 50 0 IJAAMO C[N@@H+](CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)C1CCCCC1 ZINC000006935724 569111723 /nfs/dbraw/zinc/11/17/23/569111723.db2.gz KEJRMGJABCHDSF-UHFFFAOYSA-N 1 1 429.008 4.924 50 0 IJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1c2ccccc2c2ccccc21 ZINC000524732216 569126814 /nfs/dbraw/zinc/12/68/14/569126814.db2.gz NINQUBYGEFGMOP-WIOPSUGQSA-N 1 1 447.623 4.924 50 0 biogenic IJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016891210 569165768 /nfs/dbraw/zinc/16/57/68/569165768.db2.gz SGWJIDQWSNWDNV-UZUQRXQVSA-N 1 1 441.547 4.708 50 0 IJAAMO C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891125 569165778 /nfs/dbraw/zinc/16/57/78/569165778.db2.gz ZMUYOBKNTITZLC-UZUQRXQVSA-N 1 1 441.547 4.708 50 0 IJAAMO Cc1ccc(-n2cnc3cc([N-]S(=O)(=O)c4ccc(Br)cc4)ccc32)cc1 ZINC000002346139 569280951 /nfs/dbraw/zinc/28/09/51/569280951.db2.gz BASIVLPKPDHGIT-UHFFFAOYSA-N 1 1 442.338 4.897 50 0 IJAAMO CCCN1CC[NH+]([C@H](C)CCCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C2CC2)CC1 ZINC000078950819 569320484 /nfs/dbraw/zinc/32/04/84/569320484.db2.gz IUQMNWSVELATIE-LJQANCHMSA-N 1 1 445.051 4.551 50 0 IJAAMO O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189364 569327995 /nfs/dbraw/zinc/32/79/95/569327995.db2.gz LVOUHBDRTYHHEH-AZGAKELHSA-N 1 1 445.607 4.991 50 0 biogenic IJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000079191623 569328080 /nfs/dbraw/zinc/32/80/80/569328080.db2.gz LZZAOCRBQCFRGS-MHECFPHRSA-N 1 1 449.982 4.638 50 0 biogenic IJAAMO Cc1c(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1-c1cc[nH+]cc1 ZINC000095448032 569367474 /nfs/dbraw/zinc/36/74/74/569367474.db2.gz LRIWXKJEYOVJTG-XMMPIXPASA-N 1 1 440.503 4.729 50 0 IJAAMO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C[NH2+]Cc2ccnc(N(C)C)n2)cc1 ZINC000095989207 569378205 /nfs/dbraw/zinc/37/82/05/569378205.db2.gz IKGIVLWYWZUESF-UHFFFAOYSA-N 1 1 432.959 4.647 50 0 IJAAMO Cc1ccc(-c2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000096105669 569382575 /nfs/dbraw/zinc/38/25/75/569382575.db2.gz GPANPQMAXPCGDU-UHFFFAOYSA-N 1 1 438.531 4.592 50 0 IJAAMO COc1ccccc1[C@H](CNC(=O)c1oc2ccc(Br)cc2c1C)[NH+](C)C ZINC000028232071 569409299 /nfs/dbraw/zinc/40/92/99/569409299.db2.gz IHRBJTQXHUFEDX-KRWDZBQOSA-N 1 1 431.330 4.545 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)c1 ZINC000002915252 569425089 /nfs/dbraw/zinc/42/50/89/569425089.db2.gz TYZHQMGJOCTEAY-JWQCQUIFSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)c1 ZINC000002915250 569425153 /nfs/dbraw/zinc/42/51/53/569425153.db2.gz TYZHQMGJOCTEAY-LOSJGSFVSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000057312342 569430747 /nfs/dbraw/zinc/43/07/47/569430747.db2.gz LMIIORUVYPIMPI-MRXNPFEDSA-N 1 1 437.927 4.890 50 0 IJAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000008328428 569462597 /nfs/dbraw/zinc/46/25/97/569462597.db2.gz WOTICJXRZCLKNY-AREMUKBSSA-N 1 1 427.548 4.900 50 0 IJAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755955 569473999 /nfs/dbraw/zinc/47/39/99/569473999.db2.gz SIXWGPHKRRLPGS-GOSISDBHSA-N 1 1 431.565 4.609 50 0 IJAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755955 569474000 /nfs/dbraw/zinc/47/40/00/569474000.db2.gz SIXWGPHKRRLPGS-GOSISDBHSA-N 1 1 431.565 4.609 50 0 IJAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755951 569474029 /nfs/dbraw/zinc/47/40/29/569474029.db2.gz SIXWGPHKRRLPGS-SFHVURJKSA-N 1 1 431.565 4.609 50 0 IJAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755951 569474030 /nfs/dbraw/zinc/47/40/30/569474030.db2.gz SIXWGPHKRRLPGS-SFHVURJKSA-N 1 1 431.565 4.609 50 0 IJAAMO Cc1c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000039563875 569481761 /nfs/dbraw/zinc/48/17/61/569481761.db2.gz XNQZPSCAQGFRIO-UHFFFAOYSA-N 1 1 426.586 4.761 50 0 IJAAMO CN(Cc1nc2ccccc2s1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008945574 569489077 /nfs/dbraw/zinc/48/90/77/569489077.db2.gz QDMVIUULJRWARQ-INIZCTEOSA-N 1 1 436.606 4.744 50 0 IJAAMO CN(Cc1nc2ccccc2s1)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008945574 569489078 /nfs/dbraw/zinc/48/90/78/569489078.db2.gz QDMVIUULJRWARQ-INIZCTEOSA-N 1 1 436.606 4.744 50 0 IJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000245380868 569505597 /nfs/dbraw/zinc/50/55/97/569505597.db2.gz QLLFPYXBZDQMDU-UXHICEINSA-N 1 1 428.646 4.510 50 0 IJAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009215718 569512031 /nfs/dbraw/zinc/51/20/31/569512031.db2.gz BCAOBNXRRGYLNZ-UHFFFAOYSA-N 1 1 439.943 4.501 50 0 IJAAMO CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCC([N@@H+](C)CCCOCC)CC1 ZINC000009251272 569515795 /nfs/dbraw/zinc/51/57/95/569515795.db2.gz LOBUUKDVGKAJOK-UHFFFAOYSA-N 1 1 443.588 4.525 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000009861983 569571991 /nfs/dbraw/zinc/57/19/91/569571991.db2.gz JXHRYHWWFNUIIJ-UIOOFZCWSA-N 1 1 442.563 4.549 50 0 IJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000009861983 569571992 /nfs/dbraw/zinc/57/19/92/569571992.db2.gz JXHRYHWWFNUIIJ-UIOOFZCWSA-N 1 1 442.563 4.549 50 0 IJAAMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000012166434 518445189 /nfs/dbraw/zinc/44/51/89/518445189.db2.gz CENHYAXEIYZTKQ-CXIFVNDISA-N 1 1 434.609 4.726 50 0 IJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4ccc5c(c4)OCO5)C3)C2)cc1 ZINC000012202360 519836064 /nfs/dbraw/zinc/83/60/64/519836064.db2.gz MHWVPIMPKNXKNH-NDEPHWFRSA-N 1 1 448.607 4.986 50 0 IJAAMO CCCC[N@@H+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844750 520487549 /nfs/dbraw/zinc/48/75/49/520487549.db2.gz NNCWQBRDRIZNEU-UHFFFAOYSA-N 1 1 442.600 4.605 50 0 IJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)cc1F ZINC000012112220 521219604 /nfs/dbraw/zinc/21/96/04/521219604.db2.gz NSWVICMGUVEEBN-LJQANCHMSA-N 1 1 432.967 4.905 50 0 IJAAMO CCN(Cc1cc(OC)c(OC)cc1OC)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012591109 521292944 /nfs/dbraw/zinc/29/29/44/521292944.db2.gz MCQFCJVKCCYRFG-NRFANRHFSA-N 1 1 444.591 4.628 50 0 IJAAMO CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012591109 521292952 /nfs/dbraw/zinc/29/29/52/521292952.db2.gz MCQFCJVKCCYRFG-NRFANRHFSA-N 1 1 444.591 4.628 50 0 IJAAMO CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012591109 521292958 /nfs/dbraw/zinc/29/29/58/521292958.db2.gz MCQFCJVKCCYRFG-NRFANRHFSA-N 1 1 444.591 4.628 50 0 IJAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750441 521543724 /nfs/dbraw/zinc/54/37/24/521543724.db2.gz MZCHJNXYJNUAFQ-DFBJGRDBSA-N 1 1 441.535 4.697 50 0 IJAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3C)ccc2c1NC(=O)Cc1ccccc1 ZINC000012726617 522434539 /nfs/dbraw/zinc/43/45/39/522434539.db2.gz MAGOBWOYJDTZFP-INIZCTEOSA-N 1 1 437.565 4.639 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1 ZINC000021805281 523095967 /nfs/dbraw/zinc/09/59/67/523095967.db2.gz PMGPBHHUTNYCSJ-QFIPXVFZSA-N 1 1 439.943 4.961 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1 ZINC000021805316 523097740 /nfs/dbraw/zinc/09/77/40/523097740.db2.gz JJSZICSPFQXMJT-OAQYLSRUSA-N 1 1 425.916 4.571 50 0 IJAAMO COCCN(C/C=C/c1ccc(OC)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020449338 523640573 /nfs/dbraw/zinc/64/05/73/523640573.db2.gz DFLFBOUKLMEJKV-COIATFDQSA-N 1 1 434.624 4.536 50 0 IJAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328617 523952521 /nfs/dbraw/zinc/95/25/21/523952521.db2.gz IWZNCANJEFCGQA-SFHVURJKSA-N 1 1 427.976 4.754 50 0 IJAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328617 523952531 /nfs/dbraw/zinc/95/25/31/523952531.db2.gz IWZNCANJEFCGQA-SFHVURJKSA-N 1 1 427.976 4.754 50 0 IJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)c1 ZINC000036031691 524097301 /nfs/dbraw/zinc/09/73/01/524097301.db2.gz YBFRRKLLNPGKMD-DEOSSOPVSA-N 1 1 433.548 4.783 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726716 524099598 /nfs/dbraw/zinc/09/95/98/524099598.db2.gz KRKSTXURDDICQS-RMQQKZCOSA-N 1 1 449.620 4.547 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012579677 524222328 /nfs/dbraw/zinc/22/23/28/524222328.db2.gz IOEPGCUEENTLHJ-SFHVURJKSA-N 1 1 443.975 4.938 50 0 IJAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)[N@H+]3CCC[C@@]23C1=O ZINC000012373655 524456196 /nfs/dbraw/zinc/45/61/96/524456196.db2.gz SUBXIRZDQQJJFC-JTAQYXEDSA-N 1 1 430.470 4.652 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)c(C)c1 ZINC000012453772 524483713 /nfs/dbraw/zinc/48/37/13/524483713.db2.gz BYXSLXQDJZYTEJ-LJQANCHMSA-N 1 1 442.629 4.691 50 0 IJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)C1 ZINC000012733746 524884776 /nfs/dbraw/zinc/88/47/76/524884776.db2.gz SDGFUFWKEUNECV-HOTGVXAUSA-N 1 1 438.553 4.719 50 0 IJAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012852967 524896798 /nfs/dbraw/zinc/89/67/98/524896798.db2.gz YWWVPJYQPBJKOL-IBGZPJMESA-N 1 1 444.325 4.910 50 0 IJAAMO C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022796616 525054048 /nfs/dbraw/zinc/05/40/48/525054048.db2.gz ZVJFLTLRDFVZJN-GBXCKJPGSA-N 1 1 440.657 4.627 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147075 525308980 /nfs/dbraw/zinc/30/89/80/525308980.db2.gz LOSFQGXQAVDBMR-DQEYMECFSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147075 525308987 /nfs/dbraw/zinc/30/89/87/525308987.db2.gz LOSFQGXQAVDBMR-DQEYMECFSA-N 1 1 448.538 4.569 50 0 IJAAMO Cc1c(Nc2ccc(CNCCC[N@H+]3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113461 525878932 /nfs/dbraw/zinc/87/89/32/525878932.db2.gz FWQFLYLTQNFMFC-NRFANRHFSA-N 1 1 447.627 4.582 50 0 IJAAMO Cc1c(Nc2ccc(CNCCC[N@@H+]3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113461 525878938 /nfs/dbraw/zinc/87/89/38/525878938.db2.gz FWQFLYLTQNFMFC-NRFANRHFSA-N 1 1 447.627 4.582 50 0 IJAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000012300366 525968217 /nfs/dbraw/zinc/96/82/17/525968217.db2.gz WREKVYRPJYSWGD-FQEVSTJZSA-N 1 1 438.616 4.775 50 0 IJAAMO Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000012693336 526289006 /nfs/dbraw/zinc/28/90/06/526289006.db2.gz BSACUGQQMDLXFG-NRFANRHFSA-N 1 1 448.592 4.923 50 0 IJAAMO Cc1nn2c(nc(C(C)(C)C)cc2NCCC[NH+]2CCOCC2)c1-c1ccc(Cl)cc1 ZINC000020479713 526310324 /nfs/dbraw/zinc/31/03/24/526310324.db2.gz GXDDEVARPHIZLK-UHFFFAOYSA-N 1 1 442.007 4.790 50 0 IJAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1c(Cl)cccc1Cl ZINC000022931087 526487779 /nfs/dbraw/zinc/48/77/79/526487779.db2.gz MVMFSVZJSSTPFA-UHFFFAOYSA-N 1 1 432.804 4.855 50 0 IJAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1ccc2ncccc2c1 ZINC000020906485 526496928 /nfs/dbraw/zinc/49/69/28/526496928.db2.gz WSHIPGKJAMJRBE-HHHXNRCGSA-N 1 1 437.543 4.877 50 0 IJAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCC[NH+]1CCOCC1 ZINC000021798076 526985135 /nfs/dbraw/zinc/98/51/35/526985135.db2.gz VUGUONZVJWPPHR-UHFFFAOYSA-N 1 1 447.970 4.875 50 0 IJAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000035908077 527516822 /nfs/dbraw/zinc/51/68/22/527516822.db2.gz CJSIIHYWWFRQMA-GMAHTHKFSA-N 1 1 449.561 4.760 50 0 IJAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613175 527625099 /nfs/dbraw/zinc/62/50/99/527625099.db2.gz CLZYVPWFMUHSAU-NRFANRHFSA-N 1 1 440.440 4.867 50 0 IJAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613175 527625105 /nfs/dbraw/zinc/62/51/05/527625105.db2.gz CLZYVPWFMUHSAU-NRFANRHFSA-N 1 1 440.440 4.867 50 0 IJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676391 555794283 /nfs/dbraw/zinc/79/42/83/555794283.db2.gz FCOVVDICQWPDJJ-QGZVFWFLSA-N 1 1 436.358 4.559 50 0 IJAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccccc1 ZINC000034681888 555815669 /nfs/dbraw/zinc/81/56/69/555815669.db2.gz KIMAICGGJIIGGE-RUZDIDTESA-N 1 1 428.580 4.926 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000034898714 555928353 /nfs/dbraw/zinc/92/83/53/555928353.db2.gz AZBXTVAVBCOFSR-MJGOQNOKSA-N 1 1 448.533 4.626 50 0 IJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000004466051 556309515 /nfs/dbraw/zinc/30/95/15/556309515.db2.gz NUCLMBZORIKRLO-VYVDHXHBSA-N 1 1 441.984 4.639 50 0 IJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000011821194 556362808 /nfs/dbraw/zinc/36/28/08/556362808.db2.gz QOKUGQVFTXJHIX-OAQYLSRUSA-N 1 1 429.520 4.660 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1Cn1cccn1 ZINC000011843613 556366695 /nfs/dbraw/zinc/36/66/95/556366695.db2.gz PENGFPGDYHZNAP-NRFANRHFSA-N 1 1 435.593 4.757 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000012002152 556385973 /nfs/dbraw/zinc/38/59/73/556385973.db2.gz FLZUVPOWPMCSJB-GOSISDBHSA-N 1 1 430.976 4.666 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027924 556388135 /nfs/dbraw/zinc/38/81/35/556388135.db2.gz HVGBFOYCLJXOKX-QGZVFWFLSA-N 1 1 448.966 4.805 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027924 556388140 /nfs/dbraw/zinc/38/81/40/556388140.db2.gz HVGBFOYCLJXOKX-QGZVFWFLSA-N 1 1 448.966 4.805 50 0 IJAAMO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032622808 556410254 /nfs/dbraw/zinc/41/02/54/556410254.db2.gz NIEXGJZEZPDUFQ-JOCHJYFZSA-N 1 1 439.943 4.961 50 0 IJAAMO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000013100547 556460048 /nfs/dbraw/zinc/46/00/48/556460048.db2.gz JQAXTVFKXGKLCH-SFHVURJKSA-N 1 1 444.604 4.967 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)c(OC)c1 ZINC000014980628 556470462 /nfs/dbraw/zinc/47/04/62/556470462.db2.gz CDZYXALUPXBIJU-IBGZPJMESA-N 1 1 442.625 4.734 50 0 IJAAMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000072289424 556485173 /nfs/dbraw/zinc/48/51/73/556485173.db2.gz IZJNHRHQZYKSBC-HSZRJFAPSA-N 1 1 436.600 4.938 50 0 IJAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(CO)c3)C2)c1 ZINC000015080660 556501178 /nfs/dbraw/zinc/50/11/78/556501178.db2.gz IEGZOVGJSYYZCF-QFIPXVFZSA-N 1 1 425.569 4.848 50 0 IJAAMO CCOc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](CC)C3 ZINC000015947256 556567985 /nfs/dbraw/zinc/56/79/85/556567985.db2.gz RVHYRTPRLSJIPL-QGZVFWFLSA-N 1 1 436.375 4.716 50 0 IJAAMO Cc1csc(SCc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)n1 ZINC000032967403 556587667 /nfs/dbraw/zinc/58/76/67/556587667.db2.gz DEOWKOZGGYLRBN-UHFFFAOYSA-N 1 1 445.654 4.509 50 0 IJAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054274587 556729777 /nfs/dbraw/zinc/72/97/77/556729777.db2.gz WXNBCLJTZORPOE-UHFFFAOYSA-N 1 1 431.971 4.989 50 0 IJAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058160600 556764574 /nfs/dbraw/zinc/76/45/74/556764574.db2.gz NWWFEAQIIXZYHW-DEOSSOPVSA-N 1 1 431.511 4.856 50 0 IJAAMO COc1cc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000033140101 556875646 /nfs/dbraw/zinc/87/56/46/556875646.db2.gz QBVSDFIRCIERDH-UHFFFAOYSA-N 1 1 433.508 4.872 50 0 IJAAMO COc1cc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000033140101 556875647 /nfs/dbraw/zinc/87/56/47/556875647.db2.gz QBVSDFIRCIERDH-UHFFFAOYSA-N 1 1 433.508 4.872 50 0 IJAAMO COc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000019792592 556915515 /nfs/dbraw/zinc/91/55/15/556915515.db2.gz NLJFNMMJSCPMIU-UHFFFAOYSA-N 1 1 435.574 4.677 50 0 IJAAMO COc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000019792592 556915519 /nfs/dbraw/zinc/91/55/19/556915519.db2.gz NLJFNMMJSCPMIU-UHFFFAOYSA-N 1 1 435.574 4.677 50 0 IJAAMO Cc1cc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000019823450 556924875 /nfs/dbraw/zinc/92/48/75/556924875.db2.gz DBVGSVAMFRNNMV-UHFFFAOYSA-N 1 1 434.967 4.961 50 0 IJAAMO C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181239 557045290 /nfs/dbraw/zinc/04/52/90/557045290.db2.gz MWWGIONUPWDDSS-CYFREDJKSA-N 1 1 437.584 4.565 50 0 IJAAMO CN1CC[NH+](CC[C@@H]2CCCCN2C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000022935559 557052523 /nfs/dbraw/zinc/05/25/23/557052523.db2.gz DSUFEMBATMYMGG-INIZCTEOSA-N 1 1 448.986 4.548 50 0 IJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023245116 557077732 /nfs/dbraw/zinc/07/77/32/557077732.db2.gz PVFHWMSYYDBMTB-INIZCTEOSA-N 1 1 437.367 4.504 50 0 IJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000033318617 557100055 /nfs/dbraw/zinc/10/00/55/557100055.db2.gz JYRPMGNHPSPKNV-UHFFFAOYSA-N 1 1 446.511 4.544 50 0 IJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318617 557100059 /nfs/dbraw/zinc/10/00/59/557100059.db2.gz JYRPMGNHPSPKNV-UHFFFAOYSA-N 1 1 446.511 4.544 50 0 IJAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000023693763 557107007 /nfs/dbraw/zinc/10/70/07/557107007.db2.gz BELOMZVOEHRHPJ-UHFFFAOYSA-N 1 1 439.556 4.551 50 0 IJAAMO COc1cccc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984883 557186145 /nfs/dbraw/zinc/18/61/45/557186145.db2.gz NAVMWSPOZJOVBZ-UQBPGWFLSA-N 1 1 426.520 4.912 50 0 IJAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000025056359 557192152 /nfs/dbraw/zinc/19/21/52/557192152.db2.gz ZURDFDLDSIYFNJ-UHFFFAOYSA-N 1 1 434.605 4.709 50 0 IJAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000023936645 557387739 /nfs/dbraw/zinc/38/77/39/557387739.db2.gz DLOZVYURQJFVFG-JOCHJYFZSA-N 1 1 445.588 4.619 50 0 IJAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000023936645 557387740 /nfs/dbraw/zinc/38/77/40/557387740.db2.gz DLOZVYURQJFVFG-JOCHJYFZSA-N 1 1 445.588 4.619 50 0 IJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000102974462 557414499 /nfs/dbraw/zinc/41/44/99/557414499.db2.gz UWRQLAGOUKFNKV-QQSVUBKYSA-N 1 1 425.569 4.889 50 0 IJAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@H](c3cccc(F)c3)C2)c1 ZINC000105051287 557474746 /nfs/dbraw/zinc/47/47/46/557474746.db2.gz SVBWNJWVRAKOJD-DHLKQENFSA-N 1 1 426.576 4.943 50 0 IJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009502777 562972420 /nfs/dbraw/zinc/97/24/20/562972420.db2.gz JKGGFVABTBFVOC-IBGZPJMESA-N 1 1 445.592 4.917 50 0 IJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009502777 562972421 /nfs/dbraw/zinc/97/24/21/562972421.db2.gz JKGGFVABTBFVOC-IBGZPJMESA-N 1 1 445.592 4.917 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000009714424 562975840 /nfs/dbraw/zinc/97/58/40/562975840.db2.gz MTTQKEUKWURFMB-JOCHJYFZSA-N 1 1 445.519 4.545 50 0 IJAAMO Cc1cc2sc(N3CCC(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)CC3)nc2c(C)c1 ZINC000009848254 562977395 /nfs/dbraw/zinc/97/73/95/562977395.db2.gz FJISSFBOLFCTBN-KDURUIRLSA-N 1 1 442.673 4.614 50 0 IJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000011821316 562979532 /nfs/dbraw/zinc/97/95/32/562979532.db2.gz AAAFPYOPAKKARY-DEOSSOPVSA-N 1 1 429.520 4.802 50 0 IJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000011821316 562979534 /nfs/dbraw/zinc/97/95/34/562979534.db2.gz AAAFPYOPAKKARY-DEOSSOPVSA-N 1 1 429.520 4.802 50 0 IJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](CCCn4nc(C)cc4C)C3)cc2)c1 ZINC000012030366 562980459 /nfs/dbraw/zinc/98/04/59/562980459.db2.gz GFFPMKFJDMVYCW-XMMPIXPASA-N 1 1 446.595 4.916 50 0 IJAAMO C[C@@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057015945 563143031 /nfs/dbraw/zinc/14/30/31/563143031.db2.gz NMEGQXPTZNDYOB-XXBNENTESA-N 1 1 426.630 4.632 50 0 IJAAMO Cn1cc(C[NH+]2CCN(Cc3cccnc3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000023374876 568613565 /nfs/dbraw/zinc/61/35/65/568613565.db2.gz FIVBJHJWUYKAEN-UHFFFAOYSA-N 1 1 439.563 4.592 50 0 IJAAMO CCc1cccc(C)c1N(C(=O)Cn1c(C[NH+]2CCCC2)nc2ccccc21)[C@@H](C)COC ZINC000082086951 568735275 /nfs/dbraw/zinc/73/52/75/568735275.db2.gz ZYQVCWRAAKFJGU-NRFANRHFSA-N 1 1 448.611 4.571 50 0 IJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000263585405 568759106 /nfs/dbraw/zinc/75/91/06/568759106.db2.gz IFKGOYRJJCQSON-HFZDXXHNSA-N 1 1 437.628 4.790 50 0 biogenic IJAAMO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000015727595 568812699 /nfs/dbraw/zinc/81/26/99/568812699.db2.gz YHJGTCVRWWPIAP-UHFFFAOYSA-N 1 1 449.599 4.552 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(OC)cc2)n1 ZINC000085651142 568831859 /nfs/dbraw/zinc/83/18/59/568831859.db2.gz DSWZLHVRBUGGMK-LJQANCHMSA-N 1 1 436.556 4.964 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000227072966 568885439 /nfs/dbraw/zinc/88/54/39/568885439.db2.gz WAAAXVMBZZKAGF-DUOVIKOCSA-N 1 1 443.934 4.643 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000239328968 568911246 /nfs/dbraw/zinc/91/12/46/568911246.db2.gz JXHRYHWWFNUIIJ-IZZNHLLZSA-N 1 1 442.563 4.549 50 0 IJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000239328968 568911248 /nfs/dbraw/zinc/91/12/48/568911248.db2.gz JXHRYHWWFNUIIJ-IZZNHLLZSA-N 1 1 442.563 4.549 50 0 IJAAMO COCCOc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000242100049 568912592 /nfs/dbraw/zinc/91/25/92/568912592.db2.gz WDXPUOQDUUUXML-XMSQKQJNSA-N 1 1 445.991 4.740 50 0 IJAAMO Cc1oc2cc(OCC[NH+]3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000054307032 568937377 /nfs/dbraw/zinc/93/73/77/568937377.db2.gz HNHKTYATTMBBRU-UHFFFAOYSA-N 1 1 440.543 4.969 50 0 biogenic IJAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069040 568945468 /nfs/dbraw/zinc/94/54/68/568945468.db2.gz LTRXNPXHOFLNRC-KRWDZBQOSA-N 1 1 426.948 4.700 50 0 IJAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069040 568945469 /nfs/dbraw/zinc/94/54/69/568945469.db2.gz LTRXNPXHOFLNRC-KRWDZBQOSA-N 1 1 426.948 4.700 50 0 IJAAMO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102946 568952858 /nfs/dbraw/zinc/95/28/58/568952858.db2.gz WCBRMCPHLMXWDF-JOCHJYFZSA-N 1 1 429.919 4.930 50 0 IJAAMO COc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102946 568952859 /nfs/dbraw/zinc/95/28/59/568952859.db2.gz WCBRMCPHLMXWDF-JOCHJYFZSA-N 1 1 429.919 4.930 50 0 IJAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146325 568962003 /nfs/dbraw/zinc/96/20/03/568962003.db2.gz JGCGLNCYQQGSIF-VXKWHMMOSA-N 1 1 448.966 4.650 50 0 IJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)CC1CC1 ZINC000036246090 568981766 /nfs/dbraw/zinc/98/17/66/568981766.db2.gz MEQBHPHJKUECCG-QHCPKHFHSA-N 1 1 449.595 4.840 50 0 IJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000169678063 568990451 /nfs/dbraw/zinc/99/04/51/568990451.db2.gz CBLGQFGVSWPZFX-DENIHFKCSA-N 1 1 447.579 4.799 50 0 IJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169681801 568992584 /nfs/dbraw/zinc/99/25/84/568992584.db2.gz BEWRGIBQGWZBAK-RPBOFIJWSA-N 1 1 444.575 4.739 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306420 568995586 /nfs/dbraw/zinc/99/55/86/568995586.db2.gz KPOGEZFDEYMEMF-JOCHJYFZSA-N 1 1 437.584 4.796 50 0 IJAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306522 568995624 /nfs/dbraw/zinc/99/56/24/568995624.db2.gz NGUZBWZGVJDSFJ-VWNXMTODSA-N 1 1 449.595 4.940 50 0 IJAAMO CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000036312294 568997638 /nfs/dbraw/zinc/99/76/38/568997638.db2.gz KWANSTICFCNRDA-UHFFFAOYSA-N 1 1 444.595 4.653 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](c2cccc(F)c2)C1 ZINC000036344840 569080484 /nfs/dbraw/zinc/08/04/84/569080484.db2.gz ASRHIUIOSQFFIJ-XMMPIXPASA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc(F)c2)C1 ZINC000036344840 569080485 /nfs/dbraw/zinc/08/04/85/569080485.db2.gz ASRHIUIOSQFFIJ-XMMPIXPASA-N 1 1 431.511 4.644 50 0 IJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC ZINC000036346192 569081212 /nfs/dbraw/zinc/08/12/12/569081212.db2.gz RRIFMYKKDRAVIV-REWPJTCUSA-N 1 1 437.584 4.889 50 0 IJAAMO Cc1ccc(C[NH+]2CCC(N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)s1 ZINC000252495068 569187988 /nfs/dbraw/zinc/18/79/88/569187988.db2.gz OMBNRXFUVPLURB-UHFFFAOYSA-N 1 1 439.547 4.978 50 0 IJAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000252536451 569189839 /nfs/dbraw/zinc/18/98/39/569189839.db2.gz IPFMQASEJXGUGJ-OALUTQOASA-N 1 1 437.675 4.643 50 0 IJAAMO O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013369121 569314760 /nfs/dbraw/zinc/31/47/60/569314760.db2.gz DNMLGOXBSKSZQA-UHFFFAOYSA-N 1 1 444.966 4.701 50 0 IJAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000328590609 569316925 /nfs/dbraw/zinc/31/69/25/569316925.db2.gz GTZAPNSSIDYSKH-QFIPXVFZSA-N 1 1 433.577 4.974 50 0 IJAAMO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]Cc2ccnc(N(C)C)n2)cc1 ZINC000095463777 569370400 /nfs/dbraw/zinc/37/04/00/569370400.db2.gz CTSBBLVYJPACSL-UHFFFAOYSA-N 1 1 426.568 4.556 50 0 IJAAMO Cc1ncc(C[N@@H+](C)Cc2ccccc2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095474834 569372641 /nfs/dbraw/zinc/37/26/41/569372641.db2.gz UOEMZCVFJJRHPS-UHFFFAOYSA-N 1 1 428.488 4.770 50 0 IJAAMO COc1ccc(Br)cc1-c1nc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000095962947 569377064 /nfs/dbraw/zinc/37/70/64/569377064.db2.gz NOVFYLJEFTWWEQ-ZDUSSCGKSA-N 1 1 433.375 4.684 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)c1 ZINC000002915256 569425075 /nfs/dbraw/zinc/42/50/75/569425075.db2.gz IAADRNHSNVRJAZ-RPWUZVMVSA-N 1 1 426.451 4.639 50 0 IJAAMO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000040135436 569490729 /nfs/dbraw/zinc/49/07/29/569490729.db2.gz WBZYOJDVLJYKEE-UHFFFAOYSA-N 1 1 437.971 4.783 50 0 IJAAMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000040135436 569490730 /nfs/dbraw/zinc/49/07/30/569490730.db2.gz WBZYOJDVLJYKEE-UHFFFAOYSA-N 1 1 437.971 4.783 50 0 IJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C(=O)Nc4nccs4)C3)c2cc1C(C)C ZINC000040149649 569492516 /nfs/dbraw/zinc/49/25/16/569492516.db2.gz UBOGLWCLNMBJLQ-MRXNPFEDSA-N 1 1 425.554 4.532 50 0 IJAAMO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000009067449 569500037 /nfs/dbraw/zinc/50/00/37/569500037.db2.gz BKLFEBOFTGRURR-UHFFFAOYSA-N 1 1 433.474 4.611 50 0 IJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245279966 569502040 /nfs/dbraw/zinc/50/20/40/569502040.db2.gz 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Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000001447523 132245607 /nfs/dbraw/zinc/24/56/07/132245607.db2.gz XSIVREZXRVTFPC-UHFFFAOYSA-N 1 1 430.483 4.570 50 0 IJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008133173 132280920 /nfs/dbraw/zinc/28/09/20/132280920.db2.gz BSKAJVRWTLRACS-NRFANRHFSA-N 1 1 429.564 4.649 50 0 IJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008133173 132280922 /nfs/dbraw/zinc/28/09/22/132280922.db2.gz BSKAJVRWTLRACS-NRFANRHFSA-N 1 1 429.564 4.649 50 0 IJAAMO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C4)s1 ZINC000014991011 518297975 /nfs/dbraw/zinc/29/79/75/518297975.db2.gz IRTIBLFLQOHNHL-PMACEKPBSA-N 1 1 448.588 4.532 50 0 IJAAMO CCCNC(=O)N[C@H](CC)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1C ZINC000036048518 519886433 /nfs/dbraw/zinc/88/64/33/519886433.db2.gz GSXJDICLAABWAD-RCZVLFRGSA-N 1 1 439.600 4.599 50 0 IJAAMO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012208230 520466422 /nfs/dbraw/zinc/46/64/22/520466422.db2.gz ZUYZTFRBQRVVKY-UHFFFAOYSA-N 1 1 437.506 4.940 50 0 IJAAMO CCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000035969227 521495497 /nfs/dbraw/zinc/49/54/97/521495497.db2.gz TUDRUQNKZBIRBH-QFIPXVFZSA-N 1 1 443.595 4.824 50 0 IJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785128 521693097 /nfs/dbraw/zinc/69/30/97/521693097.db2.gz KDQPKRGRBQSAQF-OXJNMPFZSA-N 1 1 437.078 4.764 50 0 IJAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1C ZINC000020999698 521790707 /nfs/dbraw/zinc/79/07/07/521790707.db2.gz JYWVDMAFMBYGGQ-NRFANRHFSA-N 1 1 445.563 4.914 50 0 IJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)ccc1F ZINC000012438079 522377148 /nfs/dbraw/zinc/37/71/48/522377148.db2.gz AAKSNWHRVQHZEW-IBGZPJMESA-N 1 1 435.499 4.872 50 0 IJAAMO CC[C@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000036048490 522434775 /nfs/dbraw/zinc/43/47/75/522434775.db2.gz VIKOHIFJIYWWHY-DHLKQENFSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042954 523036880 /nfs/dbraw/zinc/03/68/80/523036880.db2.gz QAEKULLGPXRQHZ-NFQMXDRXSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042954 523036886 /nfs/dbraw/zinc/03/68/86/523036886.db2.gz QAEKULLGPXRQHZ-NFQMXDRXSA-N 1 1 444.575 4.930 50 0 IJAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1OC ZINC000012473903 523198724 /nfs/dbraw/zinc/19/87/24/523198724.db2.gz ABSRGFMIBMJWMA-UHFFFAOYSA-N 1 1 426.488 4.850 50 0 IJAAMO CCn1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000012225132 523690379 /nfs/dbraw/zinc/69/03/79/523690379.db2.gz YXDXQWFDGCLTEA-NRFANRHFSA-N 1 1 432.568 4.738 50 0 IJAAMO CC[C@H](C)[NH2+]CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012649204 524003607 /nfs/dbraw/zinc/00/36/07/524003607.db2.gz NBRNEBZSLMEYFA-ZDUSSCGKSA-N 1 1 444.384 4.511 50 0 IJAAMO COc1ccccc1-c1cc2nc(C)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2n1 ZINC000015670911 524270758 /nfs/dbraw/zinc/27/07/58/524270758.db2.gz YOSAQWYEYCJQME-DHZHZOJOSA-N 1 1 439.563 4.549 50 0 IJAAMO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795622 524429543 /nfs/dbraw/zinc/42/95/43/524429543.db2.gz TYBGGCNWJUZKFH-UHFFFAOYSA-N 1 1 432.528 4.626 50 0 IJAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)C2)cc1 ZINC000021934245 524469125 /nfs/dbraw/zinc/46/91/25/524469125.db2.gz LNUPALUJKFOLKV-JOCHJYFZSA-N 1 1 436.559 4.857 50 0 IJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c(C)c1 ZINC000012434853 524484728 /nfs/dbraw/zinc/48/47/28/524484728.db2.gz PUUMMVDSEUNQHD-OAQYLSRUSA-N 1 1 432.568 4.820 50 0 IJAAMO C[C@@H]1C[C@H](C)C[N@H+](CC2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)C1 ZINC000021718189 525379967 /nfs/dbraw/zinc/37/99/67/525379967.db2.gz WLOMTDUUXOCBSE-GASCZTMLSA-N 1 1 426.374 4.810 50 0 IJAAMO Cc1ccc(-c2cc(C(=O)N(C)CC3CC[NH+](CCc4ccc(F)cc4)CC3)n[nH]2)s1 ZINC000012446417 525716314 /nfs/dbraw/zinc/71/63/14/525716314.db2.gz GKPQSCMLPJRUQU-UHFFFAOYSA-N 1 1 440.588 4.612 50 0 IJAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000020995963 526347438 /nfs/dbraw/zinc/34/74/38/526347438.db2.gz FOJDJXZHSWEPOC-OAHLLOKOSA-N 1 1 425.508 4.982 50 0 IJAAMO O=C(CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012759495 526485214 /nfs/dbraw/zinc/48/52/14/526485214.db2.gz OGNSZXZATPDSLK-FQEVSTJZSA-N 1 1 434.565 4.589 50 0 IJAAMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012759489 526486674 /nfs/dbraw/zinc/48/66/74/526486674.db2.gz OGNSZXZATPDSLK-HXUWFJFHSA-N 1 1 434.565 4.589 50 0 IJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)c1ccc(-c2ccccc2)cc1 ZINC000012705320 526513868 /nfs/dbraw/zinc/51/38/68/526513868.db2.gz IUNCIYOOSRBISK-IBGZPJMESA-N 1 1 426.520 4.532 50 0 IJAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1SCc1cccs1 ZINC000021936138 526657548 /nfs/dbraw/zinc/65/75/48/526657548.db2.gz LXVHHNQKVXPSLJ-UHFFFAOYSA-N 1 1 438.618 4.803 50 0 IJAAMO Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)nc2ccccc21 ZINC000012307183 527054779 /nfs/dbraw/zinc/05/47/79/527054779.db2.gz UUVPUUOUUMAFBF-OAQYLSRUSA-N 1 1 438.575 4.882 50 0 IJAAMO Cn1c(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)nc2ccccc21 ZINC000012307183 527054785 /nfs/dbraw/zinc/05/47/85/527054785.db2.gz UUVPUUOUUMAFBF-OAQYLSRUSA-N 1 1 438.575 4.882 50 0 IJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1 ZINC000012314704 527138970 /nfs/dbraw/zinc/13/89/70/527138970.db2.gz IHUAIJGQLQFRIJ-OAQYLSRUSA-N 1 1 426.520 4.983 50 0 IJAAMO OCC[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1 ZINC000020997773 527564375 /nfs/dbraw/zinc/56/43/75/527564375.db2.gz RCMFQYKOOWFHDV-MUUNZHRXSA-N 1 1 428.620 4.820 50 0 IJAAMO OCC[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000020997773 527564380 /nfs/dbraw/zinc/56/43/80/527564380.db2.gz RCMFQYKOOWFHDV-MUUNZHRXSA-N 1 1 428.620 4.820 50 0 IJAAMO OCC[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000020997773 527564385 /nfs/dbraw/zinc/56/43/85/527564385.db2.gz RCMFQYKOOWFHDV-MUUNZHRXSA-N 1 1 428.620 4.820 50 0 IJAAMO CC(C)(C)NC(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034682086 555815724 /nfs/dbraw/zinc/81/57/24/555815724.db2.gz CDOBBOQYRVQROB-UHFFFAOYSA-N 1 1 449.521 4.733 50 0 IJAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034683719 555819514 /nfs/dbraw/zinc/81/95/14/555819514.db2.gz HCGRZUIHKNIGSI-UHFFFAOYSA-N 1 1 428.529 4.587 50 0 IJAAMO CCc1ccc([C@H]2CC[C@@H](C(=O)NCCc3ccccn3)C[N@H+]2Cc2ccccc2)cc1 ZINC000034711313 555824506 /nfs/dbraw/zinc/82/45/06/555824506.db2.gz WWLZOMDILIOIIC-XNMGPUDCSA-N 1 1 427.592 4.956 50 0 IJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778756 556308228 /nfs/dbraw/zinc/30/82/28/556308228.db2.gz IHCWICSXMPBRIK-TUACAJSNSA-N 1 1 428.960 4.655 50 0 IJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778756 556308229 /nfs/dbraw/zinc/30/82/29/556308229.db2.gz IHCWICSXMPBRIK-TUACAJSNSA-N 1 1 428.960 4.655 50 0 IJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000032747987 556316609 /nfs/dbraw/zinc/31/66/09/556316609.db2.gz UPKBAYWHDZJRDT-SFHVURJKSA-N 1 1 425.729 4.809 50 0 IJAAMO CCn1nc(C)c(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)c1C ZINC000011878435 556370922 /nfs/dbraw/zinc/37/09/22/556370922.db2.gz IBSMIXDKWMJVCU-NRFANRHFSA-N 1 1 436.566 4.925 50 0 IJAAMO CCC(CC)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011881405 556373199 /nfs/dbraw/zinc/37/31/99/556373199.db2.gz XZVRFPMYPWSWQQ-QHCPKHFHSA-N 1 1 439.648 4.706 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973880 556419975 /nfs/dbraw/zinc/41/99/75/556419975.db2.gz NRKQHSTXTVRZCZ-LJQANCHMSA-N 1 1 438.549 4.936 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973880 556419979 /nfs/dbraw/zinc/41/99/79/556419979.db2.gz NRKQHSTXTVRZCZ-LJQANCHMSA-N 1 1 438.549 4.936 50 0 IJAAMO COc1ccc(C[N@@H+](CC(=O)NCCc2ccc(F)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000013001911 556433625 /nfs/dbraw/zinc/43/36/25/556433625.db2.gz HHFKKUPWLWYWCV-IBGZPJMESA-N 1 1 440.584 4.688 50 0 IJAAMO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013115816 556468226 /nfs/dbraw/zinc/46/82/26/556468226.db2.gz SAAWYOFODUPJDI-UHFFFAOYSA-N 1 1 438.575 4.659 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)c(OC)c1 ZINC000014980630 556470606 /nfs/dbraw/zinc/47/06/06/556470606.db2.gz CDZYXALUPXBIJU-LJQANCHMSA-N 1 1 442.625 4.734 50 0 IJAAMO C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c2C1=O 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PCCKOKSVWPIJBD-UHFFFAOYSA-N 1 1 435.520 4.725 50 0 IJAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(OC)c1 ZINC000015071784 556496622 /nfs/dbraw/zinc/49/66/22/556496622.db2.gz ZSPKKZSAECAZDP-IBGZPJMESA-N 1 1 436.552 4.759 50 0 IJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000015077004 556499543 /nfs/dbraw/zinc/49/95/43/556499543.db2.gz AVSVPJPAEZUPAT-GOSISDBHSA-N 1 1 427.951 4.987 50 0 IJAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000013575054 556525026 /nfs/dbraw/zinc/52/50/26/556525026.db2.gz ILZUWWYSGOCQAV-UHFFFAOYSA-N 1 1 436.566 4.541 50 0 IJAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000013575054 556525029 /nfs/dbraw/zinc/52/50/29/556525029.db2.gz ILZUWWYSGOCQAV-UHFFFAOYSA-N 1 1 436.566 4.541 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CCCC2 ZINC000015946869 556567773 /nfs/dbraw/zinc/56/77/73/556567773.db2.gz SOLLNVQBBNJMBF-MRXNPFEDSA-N 1 1 441.597 4.701 50 0 IJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc2c1CCCC2 ZINC000015946869 556567774 /nfs/dbraw/zinc/56/77/74/556567774.db2.gz SOLLNVQBBNJMBF-MRXNPFEDSA-N 1 1 441.597 4.701 50 0 IJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000015972868 556570087 /nfs/dbraw/zinc/57/00/87/556570087.db2.gz WAAAXVMBZZKAGF-ONJIFJTESA-N 1 1 443.934 4.643 50 0 IJAAMO CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)[NH2+][C@@H](c2cc(OC)ccc2OC)[C@H]1C ZINC000245295484 556583417 /nfs/dbraw/zinc/58/34/17/556583417.db2.gz GIMAZQRNBHQQHN-WRWYXFPXSA-N 1 1 429.557 4.664 50 0 IJAAMO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C4)s1 ZINC000039442482 556628913 /nfs/dbraw/zinc/62/89/13/556628913.db2.gz IRTIBLFLQOHNHL-VQTJNVASSA-N 1 1 448.588 4.532 50 0 IJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cn1 ZINC000042972112 556660640 /nfs/dbraw/zinc/66/06/40/556660640.db2.gz COYYBDLZFIZOFR-GOSISDBHSA-N 1 1 449.505 4.929 50 0 IJAAMO 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O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCc1c[nH]c2ccccc12 ZINC000023128702 557016048 /nfs/dbraw/zinc/01/60/48/557016048.db2.gz TWWMFMKWFYNMCT-MHZLTWQESA-N 1 1 439.559 4.853 50 0 IJAAMO c1ccc(-c2nc3sc4c(ncnc4NCCC[NH+]4CCOCC4)c3c3c2CCC3)cc1 ZINC000020438668 557017019 /nfs/dbraw/zinc/01/70/19/557017019.db2.gz HTUBSUYLOGEISX-UHFFFAOYSA-N 1 1 445.592 4.529 50 0 IJAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000033287273 557064341 /nfs/dbraw/zinc/06/43/41/557064341.db2.gz WPYPLTBQVDXUAP-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO COc1ccccc1C[N@H+]1CCc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000033287273 557064344 /nfs/dbraw/zinc/06/43/44/557064344.db2.gz WPYPLTBQVDXUAP-UHFFFAOYSA-N 1 1 427.957 4.695 50 0 IJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259246 557080555 /nfs/dbraw/zinc/08/05/55/557080555.db2.gz NFIWHKMMGHPAKP-IBGZPJMESA-N 1 1 440.590 4.951 50 0 IJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259246 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4.628 50 0 IJAAMO CCN(C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000229582491 557832821 /nfs/dbraw/zinc/83/28/21/557832821.db2.gz HAIXMYNCVYUPOC-UFYCRDLUSA-N 1 1 427.564 4.728 50 0 IJAAMO CCOC(=O)c1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2ccco2)cc1 ZINC000008690803 562963250 /nfs/dbraw/zinc/96/32/50/562963250.db2.gz NQTKVLVVQBKXOK-LJQANCHMSA-N 1 1 443.613 4.777 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984295 568623156 /nfs/dbraw/zinc/62/31/56/568623156.db2.gz ZQPNSDIWSVRPED-FGZHOGPDSA-N 1 1 430.976 4.511 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984742 568623516 /nfs/dbraw/zinc/62/35/16/568623516.db2.gz MKQYXGGKXOWWQA-FCHUYYIVSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984742 568623518 /nfs/dbraw/zinc/62/35/18/568623518.db2.gz MKQYXGGKXOWWQA-FCHUYYIVSA-N 1 1 448.966 4.508 50 0 IJAAMO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H]3CN(C(=O)Cc4cccs4)CC[C@@H]32)cc1 ZINC000299758659 568755549 /nfs/dbraw/zinc/75/55/49/568755549.db2.gz LSHMBRYLGKWWSB-LEEZEASISA-N 1 1 426.626 4.633 50 0 IJAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc1CC2 ZINC000015781664 568825960 /nfs/dbraw/zinc/82/59/60/568825960.db2.gz RUXSTUKHYUNOJD-QGZVFWFLSA-N 1 1 434.609 4.612 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)cc1 ZINC000252448883 568919687 /nfs/dbraw/zinc/91/96/87/568919687.db2.gz LCJKIRWXYIGIAU-CERDHAPXSA-N 1 1 439.625 4.958 50 0 IJAAMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000089346102 568921133 /nfs/dbraw/zinc/92/11/33/568921133.db2.gz HVLAXVWVSYOBNY-UHFFFAOYSA-N 1 1 425.895 4.984 50 0 IJAAMO CC[N@@H+](CCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)Cc1ccccc1 ZINC000064567921 568933791 /nfs/dbraw/zinc/93/37/91/568933791.db2.gz CGPVFEORKZLUQW-UHFFFAOYSA-N 1 1 436.556 4.786 50 0 IJAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069046 568945545 /nfs/dbraw/zinc/94/55/45/568945545.db2.gz MVRASVVJYLJCOD-GOSISDBHSA-N 1 1 440.975 4.742 50 0 IJAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069046 568945546 /nfs/dbraw/zinc/94/55/46/568945546.db2.gz MVRASVVJYLJCOD-GOSISDBHSA-N 1 1 440.975 4.742 50 0 IJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)c1 ZINC000036103908 568952982 /nfs/dbraw/zinc/95/29/82/568952982.db2.gz HRMUDIDFWZVUQO-VWLOTQADSA-N 1 1 433.548 4.612 50 0 IJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146410 568962832 /nfs/dbraw/zinc/96/28/32/568962832.db2.gz MKQYXGGKXOWWQA-YADHBBJMSA-N 1 1 448.966 4.508 50 0 IJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146410 568962834 /nfs/dbraw/zinc/96/28/34/568962834.db2.gz MKQYXGGKXOWWQA-YADHBBJMSA-N 1 1 448.966 4.508 50 0 IJAAMO CCCC(O)(CCC)c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1 ZINC000036167726 568968461 /nfs/dbraw/zinc/96/84/61/568968461.db2.gz WGYUTKGMFZHLJX-UHFFFAOYSA-N 1 1 432.580 4.541 50 0 IJAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1 ZINC000036167726 568968463 /nfs/dbraw/zinc/96/84/63/568968463.db2.gz WGYUTKGMFZHLJX-UHFFFAOYSA-N 1 1 432.580 4.541 50 0 IJAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000006753873 568974289 /nfs/dbraw/zinc/97/42/89/568974289.db2.gz JLOSUKYNZXAAGL-DHIUTWEWSA-N 1 1 430.976 4.731 50 0 IJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COCC ZINC000036306504 568995638 /nfs/dbraw/zinc/99/56/38/568995638.db2.gz YPDLVDVKFTTWCO-JOCHJYFZSA-N 1 1 437.584 4.797 50 0 IJAAMO CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000065026936 569090165 /nfs/dbraw/zinc/09/01/65/569090165.db2.gz DQHJVSKCESHTMF-FQEVSTJZSA-N 1 1 433.596 4.503 50 0 IJAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 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50 0 IJAAMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccc3Cl)n2)cc1OC ZINC000008937147 569488076 /nfs/dbraw/zinc/48/80/76/569488076.db2.gz UNJWUJQDYMCFOJ-ZDUSSCGKSA-N 1 1 431.945 4.770 50 0 IJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C(=O)Nc4nccs4)C3)c2cc1C(C)C ZINC000040149648 569492580 /nfs/dbraw/zinc/49/25/80/569492580.db2.gz UBOGLWCLNMBJLQ-INIZCTEOSA-N 1 1 425.554 4.532 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000009491464 569540374 /nfs/dbraw/zinc/54/03/74/569540374.db2.gz VXFJSIMYXWZSEL-UHFFFAOYSA-N 1 1 449.576 4.740 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000009491464 569540375 /nfs/dbraw/zinc/54/03/75/569540375.db2.gz VXFJSIMYXWZSEL-UHFFFAOYSA-N 1 1 449.576 4.740 50 0 IJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000002974890 132259956 /nfs/dbraw/zinc/25/99/56/132259956.db2.gz QTQUEYNUZFKIHU-UHFFFAOYSA-N 1 1 426.520 4.739 50 0 IJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc5ccccc54)CC3)n2)cc1 ZINC000009573238 132321978 /nfs/dbraw/zinc/32/19/78/132321978.db2.gz BGXMLVSELWUFGN-UHFFFAOYSA-N 1 1 437.547 4.953 50 0 IJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cc1 ZINC000012755487 519716631 /nfs/dbraw/zinc/71/66/31/519716631.db2.gz MSYSIEYCEDPSQX-IBGZPJMESA-N 1 1 427.976 4.607 50 0 IJAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427108 519736329 /nfs/dbraw/zinc/73/63/29/519736329.db2.gz HYKSXCJPHNJMKA-HSZRJFAPSA-N 1 1 434.609 4.797 50 0 IJAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427108 519736331 /nfs/dbraw/zinc/73/63/31/519736331.db2.gz HYKSXCJPHNJMKA-HSZRJFAPSA-N 1 1 434.609 4.797 50 0 IJAAMO CC(C)c1nc(CNCc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)cs1 ZINC000012710310 519863560 /nfs/dbraw/zinc/86/35/60/519863560.db2.gz PDWDBDJXESJOFX-JOCHJYFZSA-N 1 1 431.646 4.561 50 0 IJAAMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012301864 521283371 /nfs/dbraw/zinc/28/33/71/521283371.db2.gz AOTDXGUYZPPCSX-QHCPKHFHSA-N 1 1 432.612 4.862 50 0 IJAAMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012301864 521283375 /nfs/dbraw/zinc/28/33/75/521283375.db2.gz AOTDXGUYZPPCSX-QHCPKHFHSA-N 1 1 432.612 4.862 50 0 IJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccccc1 ZINC000021045741 523718542 /nfs/dbraw/zinc/71/85/42/523718542.db2.gz ZBMFYFRXTPHZRR-VWLOTQADSA-N 1 1 448.588 4.612 50 0 IJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccccc1 ZINC000021045741 523718552 /nfs/dbraw/zinc/71/85/52/523718552.db2.gz ZBMFYFRXTPHZRR-VWLOTQADSA-N 1 1 448.588 4.612 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780770 523839130 /nfs/dbraw/zinc/83/91/30/523839130.db2.gz PLFZQWQVIPNSTO-UQBPGWFLSA-N 1 1 441.535 4.615 50 0 IJAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822209 523839588 /nfs/dbraw/zinc/83/95/88/523839588.db2.gz QJRPQIFOPUODFD-SANMLTNESA-N 1 1 429.564 4.501 50 0 IJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000020927289 523994578 /nfs/dbraw/zinc/99/45/78/523994578.db2.gz OVPWMQPXPWIJDD-UHFFFAOYSA-N 1 1 434.487 4.867 50 0 IJAAMO Cc1cccc(Cn2c3cc(C)ccc3cc(C[N@@H+](C)C[C@@H](O)c3ccccc3)c2=O)c1 ZINC000012455601 524492750 /nfs/dbraw/zinc/49/27/50/524492750.db2.gz MQYRDESLVXFDJK-HHHXNRCGSA-N 1 1 426.560 4.832 50 0 IJAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](C3=Cc4cc(Cl)ccc4OC3)[N@H+]3CCC[C@@]23C1=O ZINC000012587851 525147067 /nfs/dbraw/zinc/14/70/67/525147067.db2.gz YKXPTGYOGVSDDI-KJOQGJGQSA-N 1 1 434.967 4.690 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc(N2CCCC2)[nH+]1 ZINC000035477274 525304202 /nfs/dbraw/zinc/30/42/02/525304202.db2.gz OTMXBEQJYWIZPC-UHFFFAOYSA-N 1 1 432.484 4.502 50 0 IJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)nc(C)[nH+]2)cc1 ZINC000021795326 525322784 /nfs/dbraw/zinc/32/27/84/525322784.db2.gz IOJOSPQVIVUTNK-UHFFFAOYSA-N 1 1 430.556 4.808 50 0 IJAAMO Cc1cc2nn(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=S)n2c2ccccc12 ZINC000022782893 525688303 /nfs/dbraw/zinc/68/83/03/525688303.db2.gz WSRQBEWLFIZAJU-JXMROGBWSA-N 1 1 429.593 4.615 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916075 526250013 /nfs/dbraw/zinc/25/00/13/526250013.db2.gz ZSVQFKABZKZSMW-FQEVSTJZSA-N 1 1 434.584 4.666 50 0 IJAAMO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000013113267 526284208 /nfs/dbraw/zinc/28/42/08/526284208.db2.gz NLQXWOAIDVRQDA-XLIONFOSSA-N 1 1 429.429 4.706 50 0 IJAAMO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785643 526291237 /nfs/dbraw/zinc/29/12/37/526291237.db2.gz FBGRHOIEMILNDA-SFHVURJKSA-N 1 1 442.972 4.734 50 0 IJAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000012685254 526292338 /nfs/dbraw/zinc/29/23/38/526292338.db2.gz LDRFKPFUBBNWMW-NRFANRHFSA-N 1 1 448.567 4.598 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)NCc1ccccc1Cl ZINC000012387623 526569878 /nfs/dbraw/zinc/56/98/78/526569878.db2.gz DMBWACWAIQWEDH-MRXNPFEDSA-N 1 1 428.989 4.653 50 0 IJAAMO Cc1nc(C)c(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000012199775 526691083 /nfs/dbraw/zinc/69/10/83/526691083.db2.gz JVALWBUPMYUNLI-NRFANRHFSA-N 1 1 426.630 4.842 50 0 IJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000012466137 526730000 /nfs/dbraw/zinc/73/00/00/526730000.db2.gz CNCVHKZLGZMFSL-FQEVSTJZSA-N 1 1 437.506 4.746 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012715258 526747692 /nfs/dbraw/zinc/74/76/92/526747692.db2.gz OJPRXZZEVSONRJ-QGZVFWFLSA-N 1 1 434.565 4.835 50 0 IJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012715258 526747694 /nfs/dbraw/zinc/74/76/94/526747694.db2.gz OJPRXZZEVSONRJ-QGZVFWFLSA-N 1 1 434.565 4.835 50 0 IJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667467 555791267 /nfs/dbraw/zinc/79/12/67/555791267.db2.gz NUQTWZICLHFEPO-BCHFMIIMSA-N 1 1 432.539 4.877 50 0 IJAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667467 555791270 /nfs/dbraw/zinc/79/12/70/555791270.db2.gz NUQTWZICLHFEPO-BCHFMIIMSA-N 1 1 432.539 4.877 50 0 IJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000002915237 555862290 /nfs/dbraw/zinc/86/22/90/555862290.db2.gz OGIYHRCVPCNDAL-BJKOFHAPSA-N 1 1 426.451 4.639 50 0 IJAAMO Cc1csc2nc(C[N@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(=O)n12 ZINC000032547956 556287526 /nfs/dbraw/zinc/28/75/26/556287526.db2.gz AOZXABVQGLGDDY-UHFFFAOYSA-N 1 1 441.560 4.549 50 0 IJAAMO Cc1csc2nc(C[N@@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(=O)n12 ZINC000032547956 556287527 /nfs/dbraw/zinc/28/75/27/556287527.db2.gz AOZXABVQGLGDDY-UHFFFAOYSA-N 1 1 441.560 4.549 50 0 IJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000013811567 556312610 /nfs/dbraw/zinc/31/26/10/556312610.db2.gz JSWPRIAHPPABAV-UKILVPOCSA-N 1 1 438.487 4.508 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cccn1 ZINC000011699724 556347196 /nfs/dbraw/zinc/34/71/96/556347196.db2.gz JVNKLTXVWJXWLJ-HSZRJFAPSA-N 1 1 447.579 4.822 50 0 IJAAMO O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011813300 556356401 /nfs/dbraw/zinc/35/64/01/556356401.db2.gz HQFLGVKXRRAHLP-OAQYLSRUSA-N 1 1 446.060 4.784 50 0 IJAAMO O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813300 556356406 /nfs/dbraw/zinc/35/64/06/556356406.db2.gz HQFLGVKXRRAHLP-OAQYLSRUSA-N 1 1 446.060 4.784 50 0 IJAAMO COc1cc(-c2nc(C[N@@H+](CCO)CC34CC5CC(CC(C5)C3)C4)c(C)o2)ccc1F ZINC000011838816 556363728 /nfs/dbraw/zinc/36/37/28/556363728.db2.gz PYGHVNSSELKADN-UHFFFAOYSA-N 1 1 428.548 4.808 50 0 IJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840883 556365148 /nfs/dbraw/zinc/36/51/48/556365148.db2.gz PGRPDNSNTAKYPH-NRFANRHFSA-N 1 1 449.547 4.969 50 0 IJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840883 556365154 /nfs/dbraw/zinc/36/51/54/556365154.db2.gz PGRPDNSNTAKYPH-NRFANRHFSA-N 1 1 449.547 4.969 50 0 IJAAMO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996939 556384225 /nfs/dbraw/zinc/38/42/25/556384225.db2.gz FLRIYLNSNFNHLW-INIZCTEOSA-N 1 1 437.458 4.826 50 0 IJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996939 556384227 /nfs/dbraw/zinc/38/42/27/556384227.db2.gz FLRIYLNSNFNHLW-INIZCTEOSA-N 1 1 437.458 4.826 50 0 IJAAMO O=C(CCc1cccnc1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809440 556394154 /nfs/dbraw/zinc/39/41/54/556394154.db2.gz CIINOJWMBBNISR-UHFFFAOYSA-N 1 1 425.985 4.741 50 0 IJAAMO Fc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3cc2CC[NH+]2CCOCC2)cc1 ZINC000012958268 556418419 /nfs/dbraw/zinc/41/84/19/556418419.db2.gz GOFUPAWCAKFHKC-UHFFFAOYSA-N 1 1 436.918 4.731 50 0 IJAAMO CCOc1ccc(C[N@H+](CC)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813588 556447915 /nfs/dbraw/zinc/44/79/15/556447915.db2.gz LIHCOASKSYCMDF-RUZDIDTESA-N 1 1 438.593 4.883 50 0 IJAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813588 556447921 /nfs/dbraw/zinc/44/79/21/556447921.db2.gz LIHCOASKSYCMDF-RUZDIDTESA-N 1 1 438.593 4.883 50 0 IJAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000014950335 556460336 /nfs/dbraw/zinc/46/03/36/556460336.db2.gz UUBWUOAYFRHAGM-IBGZPJMESA-N 1 1 442.625 4.822 50 0 IJAAMO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc2ccccc2c1 ZINC000013116272 556468935 /nfs/dbraw/zinc/46/89/35/556468935.db2.gz FUEOJCOVFKZIBM-UHFFFAOYSA-N 1 1 439.441 4.510 50 0 IJAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc2ccccc2c1 ZINC000013116272 556468939 /nfs/dbraw/zinc/46/89/39/556468939.db2.gz FUEOJCOVFKZIBM-UHFFFAOYSA-N 1 1 439.441 4.510 50 0 IJAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029477710 556476128 /nfs/dbraw/zinc/47/61/28/556476128.db2.gz COWLSYOSDAFARZ-XCZPVHLTSA-N 1 1 428.576 4.532 50 0 IJAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030662 556489073 /nfs/dbraw/zinc/48/90/73/556489073.db2.gz KFTPQTQYLASHSZ-HNNXBMFYSA-N 1 1 440.897 4.602 50 0 IJAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030662 556489077 /nfs/dbraw/zinc/48/90/77/556489077.db2.gz KFTPQTQYLASHSZ-HNNXBMFYSA-N 1 1 440.897 4.602 50 0 IJAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000015069739 556495008 /nfs/dbraw/zinc/49/50/08/556495008.db2.gz CXRRVKMVFZENGS-OAHLLOKOSA-N 1 1 429.051 4.628 50 0 IJAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593960 556541828 /nfs/dbraw/zinc/54/18/28/556541828.db2.gz BICZXIDXZKUIQT-OAQYLSRUSA-N 1 1 425.916 4.571 50 0 IJAAMO CCOc1ccc(-n2c(C[NH2+][C@@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000016047202 556580647 /nfs/dbraw/zinc/58/06/47/556580647.db2.gz SMKOYBMBPBQLKV-XMMPIXPASA-N 1 1 425.532 4.952 50 0 IJAAMO Cc1noc(C)c1C[NH+]1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000032911797 556585129 /nfs/dbraw/zinc/58/51/29/556585129.db2.gz UWYPXIRXXVEJBV-UHFFFAOYSA-N 1 1 425.583 4.655 50 0 IJAAMO CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000016193249 556589052 /nfs/dbraw/zinc/58/90/52/556589052.db2.gz MKVGNWWKDKNZET-INIZCTEOSA-N 1 1 441.597 4.558 50 0 IJAAMO CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000016193249 556589054 /nfs/dbraw/zinc/58/90/54/556589054.db2.gz MKVGNWWKDKNZET-INIZCTEOSA-N 1 1 441.597 4.558 50 0 IJAAMO CCOC(=O)c1c(C[NH+]2CCC(C(=O)OCC)CC2)nc2ccccc2c1-c1ccccc1 ZINC000016476263 556610758 /nfs/dbraw/zinc/61/07/58/556610758.db2.gz ZSZXUKBSLMOXAK-UHFFFAOYSA-N 1 1 446.547 4.854 50 0 IJAAMO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000248145459 556669015 /nfs/dbraw/zinc/66/90/15/556669015.db2.gz DRCBEVFFLLBCGW-OFVILXPXSA-N 1 1 426.532 4.637 50 0 IJAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000248145459 556669017 /nfs/dbraw/zinc/66/90/17/556669017.db2.gz DRCBEVFFLLBCGW-OFVILXPXSA-N 1 1 426.532 4.637 50 0 IJAAMO Clc1ccc2c(c1)/C(=C\C[NH+]1CCN(c3ncccn3)CC1)c1ccccc1CS2 ZINC000048533941 556700475 /nfs/dbraw/zinc/70/04/75/556700475.db2.gz OHOUUXHWDCCAJS-WNFQYIGGSA-N 1 1 434.996 4.990 50 0 IJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)[nH+]c(C)n1 ZINC000033027415 556706512 /nfs/dbraw/zinc/70/65/12/556706512.db2.gz YMGIOGJNZAXVAL-UHFFFAOYSA-N 1 1 439.585 4.792 50 0 IJAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133422 556735775 /nfs/dbraw/zinc/73/57/75/556735775.db2.gz NLCXYBYOMZRXHQ-HXUWFJFHSA-N 1 1 436.518 4.806 50 0 IJAAMO Cc1ccc(Cl)c(NC(=S)NCC[NH+]2CCN(c3ccc(Cl)cc3C)CC2)c1 ZINC000055545146 556741967 /nfs/dbraw/zinc/74/19/67/556741967.db2.gz ANFHFMVLEZDVPP-UHFFFAOYSA-N 1 1 437.440 4.719 50 0 IJAAMO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726021 556803459 /nfs/dbraw/zinc/80/34/59/556803459.db2.gz HRQUWEDKYDUERH-IBGZPJMESA-N 1 1 444.004 4.973 50 0 IJAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019795164 556915997 /nfs/dbraw/zinc/91/59/97/556915997.db2.gz SYZKITZSZASLTQ-HSZRJFAPSA-N 1 1 432.637 4.905 50 0 IJAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019795164 556916002 /nfs/dbraw/zinc/91/60/02/556916002.db2.gz SYZKITZSZASLTQ-HSZRJFAPSA-N 1 1 432.637 4.905 50 0 IJAAMO COc1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c(OC)c1OC ZINC000019808349 556918324 /nfs/dbraw/zinc/91/83/24/556918324.db2.gz IXGFDLKNLSPKQB-UHFFFAOYSA-N 1 1 448.563 4.823 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046075 556979456 /nfs/dbraw/zinc/97/94/56/556979456.db2.gz YVPCDJJNWZBXTP-SFTDATJTSA-N 1 1 432.927 4.783 50 0 IJAAMO CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046075 556979460 /nfs/dbraw/zinc/97/94/60/556979460.db2.gz YVPCDJJNWZBXTP-SFTDATJTSA-N 1 1 432.927 4.783 50 0 IJAAMO Fc1cccc(Cl)c1CN1CC[NH+](CCCNc2nc(-c3ccccc3)ns2)CC1 ZINC000020412740 557013976 /nfs/dbraw/zinc/01/39/76/557013976.db2.gz QAHSTJXTEQBHBE-UHFFFAOYSA-N 1 1 445.995 4.617 50 0 IJAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032313 557024580 /nfs/dbraw/zinc/02/45/80/557024580.db2.gz MJXXYIRJWXYXHP-UHFFFAOYSA-N 1 1 448.592 4.705 50 0 IJAAMO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032313 557024584 /nfs/dbraw/zinc/02/45/84/557024584.db2.gz MJXXYIRJWXYXHP-UHFFFAOYSA-N 1 1 448.592 4.705 50 0 IJAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)C1 ZINC000060207147 557028702 /nfs/dbraw/zinc/02/87/02/557028702.db2.gz RJZACSUAZGAWFS-HNNXBMFYSA-N 1 1 435.399 4.907 50 0 IJAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)c1 ZINC000023153887 557028821 /nfs/dbraw/zinc/02/88/21/557028821.db2.gz QMCARBMZCDOMKM-UHFFFAOYSA-N 1 1 447.970 4.875 50 0 IJAAMO C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181360 557045392 /nfs/dbraw/zinc/04/53/92/557045392.db2.gz JEKIDGXLWNNTSW-JPYJTQIMSA-N 1 1 429.605 4.836 50 0 IJAAMO CC[NH+]1CCN(C(=O)c2ccccc2Sc2nccnc2Oc2ccc(C)cc2)CC1 ZINC000033289220 557066858 /nfs/dbraw/zinc/06/68/58/557066858.db2.gz VDPJCIAQMLMEJG-UHFFFAOYSA-N 1 1 434.565 4.506 50 0 IJAAMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287631 557077046 /nfs/dbraw/zinc/07/70/46/557077046.db2.gz DRCBEVFFLLBCGW-PXDATVDWSA-N 1 1 426.532 4.637 50 0 IJAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287631 557077050 /nfs/dbraw/zinc/07/70/50/557077050.db2.gz DRCBEVFFLLBCGW-PXDATVDWSA-N 1 1 426.532 4.637 50 0 IJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000023352618 557086671 /nfs/dbraw/zinc/08/66/71/557086671.db2.gz VRTCUFUSTHNQQP-UHFFFAOYSA-N 1 1 434.989 4.760 50 0 IJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)[nH+]c(C)n1 ZINC000033324513 557106280 /nfs/dbraw/zinc/10/62/80/557106280.db2.gz KRQJZRIKKHJWPB-UHFFFAOYSA-N 1 1 445.976 4.829 50 0 IJAAMO C[NH+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2Br)cc1 ZINC000003149670 557146726 /nfs/dbraw/zinc/14/67/26/557146726.db2.gz KZQZFOFYKMSENU-UHFFFAOYSA-N 1 1 428.124 4.504 50 0 IJAAMO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000025329362 557204541 /nfs/dbraw/zinc/20/45/41/557204541.db2.gz LHRIVSFQXKAOOV-HSZRJFAPSA-N 1 1 436.983 4.629 50 0 IJAAMO O=C1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000018222855 557252880 /nfs/dbraw/zinc/25/28/80/557252880.db2.gz OOHUTZJTXBMHHW-LJQANCHMSA-N 1 1 436.861 4.870 50 0 IJAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000027348673 557260751 /nfs/dbraw/zinc/26/07/51/557260751.db2.gz PECWOTKCALNYBO-HXUWFJFHSA-N 1 1 444.988 4.665 50 0 IJAAMO CSc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000031039897 557281427 /nfs/dbraw/zinc/28/14/27/557281427.db2.gz UHFRCMHKJXCYDB-UHFFFAOYSA-N 1 1 426.369 4.614 50 0 IJAAMO CSc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000031039897 557281431 /nfs/dbraw/zinc/28/14/31/557281431.db2.gz UHFRCMHKJXCYDB-UHFFFAOYSA-N 1 1 426.369 4.614 50 0 IJAAMO COc1ccc(/C=C/C[N@@H+]2CCOc3c(cc(-c4nc(C)cnc4C)cc3OC)C2)cc1 ZINC000012037796 557524233 /nfs/dbraw/zinc/52/42/33/557524233.db2.gz AESBTPAEHCQPNX-AATRIKPKSA-N 1 1 431.536 4.685 50 0 IJAAMO COc1ccc(/C=C/C[N@H+]2CCOc3c(cc(-c4nc(C)cnc4C)cc3OC)C2)cc1 ZINC000012037796 557524235 /nfs/dbraw/zinc/52/42/35/557524235.db2.gz AESBTPAEHCQPNX-AATRIKPKSA-N 1 1 431.536 4.685 50 0 IJAAMO CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000025183454 557529149 /nfs/dbraw/zinc/52/91/49/557529149.db2.gz AJVZIVMLCWYTSE-JOCHJYFZSA-N 1 1 436.983 4.532 50 0 IJAAMO CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000025183454 557529151 /nfs/dbraw/zinc/52/91/51/557529151.db2.gz AJVZIVMLCWYTSE-JOCHJYFZSA-N 1 1 436.983 4.532 50 0 IJAAMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c1 ZINC000601014386 557629659 /nfs/dbraw/zinc/62/96/59/557629659.db2.gz HFTTVOUMAUUDGI-TWJOJJKGSA-N 1 1 440.543 4.931 50 0 IJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776406 557836640 /nfs/dbraw/zinc/83/66/40/557836640.db2.gz WVXMZNBDZCJBFX-CTUHWIOQSA-N 1 1 427.928 4.620 50 0 IJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776406 557836643 /nfs/dbraw/zinc/83/66/43/557836643.db2.gz WVXMZNBDZCJBFX-CTUHWIOQSA-N 1 1 427.928 4.620 50 0 IJAAMO CCc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440998 563024994 /nfs/dbraw/zinc/02/49/94/563024994.db2.gz XPSIKVKQGXEMJM-XTEPFMGCSA-N 1 1 431.576 4.610 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982601 568622991 /nfs/dbraw/zinc/62/29/91/568622991.db2.gz MLEVLGRWPSSWIR-FGZHOGPDSA-N 1 1 448.966 4.650 50 0 IJAAMO COCCOc1c(Cl)cccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000084714594 568800331 /nfs/dbraw/zinc/80/03/31/568800331.db2.gz WDXPUOQDUUUXML-AVRDEDQJSA-N 1 1 445.991 4.740 50 0 IJAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000001448834 568817454 /nfs/dbraw/zinc/81/74/54/568817454.db2.gz AOLKQLDKORQQFW-QFIPXVFZSA-N 1 1 439.581 4.556 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984498 568838785 /nfs/dbraw/zinc/83/87/85/568838785.db2.gz WFKSSNIQALQFLW-FGZHOGPDSA-N 1 1 448.966 4.650 50 0 IJAAMO Cc1ccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)cc1 ZINC000016041345 568868299 /nfs/dbraw/zinc/86/82/99/568868299.db2.gz ZOLFVJQELZIKQS-ZIFCJYIRSA-N 1 1 433.807 4.702 50 0 IJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026463787 568877795 /nfs/dbraw/zinc/87/77/95/568877795.db2.gz UJICZGDUDXNDFW-OAHLLOKOSA-N 1 1 425.882 4.504 50 0 IJAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098555 568952115 /nfs/dbraw/zinc/95/21/15/568952115.db2.gz RXYWHQIUSJILOY-JOCHJYFZSA-N 1 1 429.919 4.930 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801516 568961506 /nfs/dbraw/zinc/96/15/06/568961506.db2.gz BLXFPXJPPPRSSA-UHFFFAOYSA-N 1 1 446.511 4.892 50 0 IJAAMO Cc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036146061 568962014 /nfs/dbraw/zinc/96/20/14/568962014.db2.gz DONDXBBHMBSSHU-BJKOFHAPSA-N 1 1 445.003 4.677 50 0 IJAAMO Cc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000169680038 568990466 /nfs/dbraw/zinc/99/04/66/568990466.db2.gz XBINMZJAJIGERJ-PKTZIBPZSA-N 1 1 445.003 4.820 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000169681651 568992378 /nfs/dbraw/zinc/99/23/78/568992378.db2.gz AZBXTVAVBCOFSR-PKOBYXMFSA-N 1 1 448.533 4.626 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302933 568993602 /nfs/dbraw/zinc/99/36/02/568993602.db2.gz PMOUDNLKGDVKJL-QHCPKHFHSA-N 1 1 449.595 4.977 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302933 568993604 /nfs/dbraw/zinc/99/36/04/568993604.db2.gz PMOUDNLKGDVKJL-QHCPKHFHSA-N 1 1 449.595 4.977 50 0 IJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308508 568996386 /nfs/dbraw/zinc/99/63/86/568996386.db2.gz DWDYZABAECQTBZ-QHCPKHFHSA-N 1 1 437.584 4.971 50 0 IJAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341702 569078977 /nfs/dbraw/zinc/07/89/77/569078977.db2.gz QQFBUYQMSCCRLD-JOCHJYFZSA-N 1 1 441.959 4.521 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341027 569079198 /nfs/dbraw/zinc/07/91/98/569079198.db2.gz WSFYTGRUROCQSG-JOCHJYFZSA-N 1 1 441.959 4.521 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344730 569080280 /nfs/dbraw/zinc/08/02/80/569080280.db2.gz VDXDHPHZDZMWQL-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344730 569080281 /nfs/dbraw/zinc/08/02/81/569080281.db2.gz VDXDHPHZDZMWQL-VWLOTQADSA-N 1 1 431.511 4.644 50 0 IJAAMO COc1ccc2cc3cc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)sc3nc2c1Cl ZINC000065330815 569137057 /nfs/dbraw/zinc/13/70/57/569137057.db2.gz FLVYWCBAOOFQJE-CQSZACIVSA-N 1 1 431.989 4.963 50 0 IJAAMO C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891054 569165635 /nfs/dbraw/zinc/16/56/35/569165635.db2.gz MDSPCNBGPIXHTP-HXOBKFHXSA-N 1 1 441.547 4.708 50 0 IJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016891219 569165715 /nfs/dbraw/zinc/16/57/15/569165715.db2.gz SGWJIDQWSNWDNV-SBUREZEXSA-N 1 1 441.547 4.708 50 0 IJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000017012575 569170612 /nfs/dbraw/zinc/17/06/12/569170612.db2.gz XQXJBYZSSDYILG-UHFFFAOYSA-N 1 1 441.457 4.510 50 0 IJAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000252536452 569189917 /nfs/dbraw/zinc/18/99/17/569189917.db2.gz IPFMQASEJXGUGJ-RBUKOAKNSA-N 1 1 437.675 4.643 50 0 IJAAMO CCOc1ccc(Oc2c(C[N@H+](C)CCc3cnccn3)c(C)nn2-c2ccccc2)cc1 ZINC000095468645 569371408 /nfs/dbraw/zinc/37/14/08/569371408.db2.gz GNMNMJUVRNHRDJ-UHFFFAOYSA-N 1 1 443.551 4.836 50 0 IJAAMO CCOc1ccc(Oc2c(C[N@@H+](C)CCc3cnccn3)c(C)nn2-c2ccccc2)cc1 ZINC000095468645 569371409 /nfs/dbraw/zinc/37/14/09/569371409.db2.gz GNMNMJUVRNHRDJ-UHFFFAOYSA-N 1 1 443.551 4.836 50 0 IJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000057315289 569431021 /nfs/dbraw/zinc/43/10/21/569431021.db2.gz VKAQIYKOZACMEO-VWLOTQADSA-N 1 1 433.596 4.789 50 0 IJAAMO CC(=O)Nc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1Sc1ccc(C)cc1 ZINC000003049201 569438960 /nfs/dbraw/zinc/43/89/60/569438960.db2.gz SYTZMGXJEVFIFR-UHFFFAOYSA-N 1 1 447.604 4.966 50 0 IJAAMO CCc1cc([C@H](c2ccccc2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546445 569463553 /nfs/dbraw/zinc/46/35/53/569463553.db2.gz JFCNTEIAXPKQFU-QFIPXVFZSA-N 1 1 439.581 4.501 50 0 IJAAMO CCc1cc2oc(=O)cc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)c2cc1Cl ZINC000040002672 569482462 /nfs/dbraw/zinc/48/24/62/569482462.db2.gz CPIGRQSUQFGLAN-UHFFFAOYSA-N 1 1 440.927 4.565 50 0 IJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000008917998 569486181 /nfs/dbraw/zinc/48/61/81/569486181.db2.gz ZEJRMEFSBLSGKA-SQNFQQNXSA-N 1 1 441.999 4.714 50 0 biogenic IJAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(Cc2cccs2)CC1)C1CCCCC1 ZINC000040103369 569488050 /nfs/dbraw/zinc/48/80/50/569488050.db2.gz SVNQGUKKUKXZRZ-UHFFFAOYSA-N 1 1 426.630 4.862 50 0 IJAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945237 569489023 /nfs/dbraw/zinc/48/90/23/569489023.db2.gz KXMWGYRSPQBRMT-DEOSSOPVSA-N 1 1 428.532 4.824 50 0 IJAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945237 569489024 /nfs/dbraw/zinc/48/90/24/569489024.db2.gz KXMWGYRSPQBRMT-DEOSSOPVSA-N 1 1 428.532 4.824 50 0 IJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@H+](C)Cc1ccccc1)c2-n1cccc1 ZINC000009251899 569515962 /nfs/dbraw/zinc/51/59/62/569515962.db2.gz CPAVBESIQMKHSR-UHFFFAOYSA-N 1 1 432.593 4.956 50 0 IJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3Cl)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293540 569520205 /nfs/dbraw/zinc/52/02/05/569520205.db2.gz WWWIHJDDUKIGCL-XZOQPEGZSA-N 1 1 427.895 4.848 50 0 IJAAMO CCOc1ccccc1[C@@H]1Oc2ccc(C)cc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=[NH+]2 ZINC000009309779 569521669 /nfs/dbraw/zinc/52/16/69/569521669.db2.gz YVPGWSJMYWZOBR-RPBOFIJWSA-N 1 1 437.503 4.593 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000009440875 569535299 /nfs/dbraw/zinc/53/52/99/569535299.db2.gz HUSOPNNAAMUOCI-UHFFFAOYSA-N 1 1 449.576 4.740 50 0 IJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000009440875 569535300 /nfs/dbraw/zinc/53/53/00/569535300.db2.gz HUSOPNNAAMUOCI-UHFFFAOYSA-N 1 1 449.576 4.740 50 0 IJAAMO CCOc1cc(C[NH2+]Cc2nc3ccccc3n2C)ccc1OCCOc1ccc(F)cc1 ZINC000009465406 569537925 /nfs/dbraw/zinc/53/79/25/569537925.db2.gz KIQYNSQYYNDJBE-UHFFFAOYSA-N 1 1 449.526 4.859 50 0 IJAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000010433967 569582163 /nfs/dbraw/zinc/58/21/63/569582163.db2.gz KXOMQSQASJOGAI-JOCHJYFZSA-N 1 1 433.577 4.974 50 0 IJAAMO CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(N2CC[NH+](C)CC2)n1)CCC4 ZINC000013513164 132349205 /nfs/dbraw/zinc/34/92/05/132349205.db2.gz PJOFLGVQCQZXIS-UHFFFAOYSA-N 1 1 447.633 4.869 50 0 IJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000000635919 518160894 /nfs/dbraw/zinc/16/08/94/518160894.db2.gz FPQUAGOGEBQRCM-LOSJGSFVSA-N 1 1 438.487 4.508 50 0 IJAAMO CC(C)(C)c1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035893091 519047643 /nfs/dbraw/zinc/04/76/43/519047643.db2.gz XTHBBSVSBDEHJG-XMMPIXPASA-N 1 1 447.623 4.826 50 0 IJAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597597 519853238 /nfs/dbraw/zinc/85/32/38/519853238.db2.gz BFIIQFBCPOFQGH-QGZVFWFLSA-N 1 1 432.033 4.980 50 0 IJAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597597 519853240 /nfs/dbraw/zinc/85/32/40/519853240.db2.gz BFIIQFBCPOFQGH-QGZVFWFLSA-N 1 1 432.033 4.980 50 0 IJAAMO CCOc1ccc(NC(=O)CC[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766750 521053210 /nfs/dbraw/zinc/05/32/10/521053210.db2.gz XGFPVAYNQVFNTA-UHFFFAOYSA-N 1 1 441.575 4.802 50 0 IJAAMO CCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC000035969230 521494419 /nfs/dbraw/zinc/49/44/19/521494419.db2.gz TUDRUQNKZBIRBH-JOCHJYFZSA-N 1 1 443.595 4.824 50 0 IJAAMO COCc1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012313910 522922471 /nfs/dbraw/zinc/92/24/71/522922471.db2.gz QHWGZXRMEGYFMD-LJQANCHMSA-N 1 1 445.003 4.804 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036043245 523047884 /nfs/dbraw/zinc/04/78/84/523047884.db2.gz WRNMAPOFJBYEKC-KOSHJBKYSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043245 523047893 /nfs/dbraw/zinc/04/78/93/523047893.db2.gz WRNMAPOFJBYEKC-KOSHJBKYSA-N 1 1 439.600 4.598 50 0 IJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000012205419 523139788 /nfs/dbraw/zinc/13/97/88/523139788.db2.gz ZRATXDQLKVQWTP-OAQYLSRUSA-N 1 1 444.531 4.942 50 0 IJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012307199 523184497 /nfs/dbraw/zinc/18/44/97/523184497.db2.gz FDNPSDRURSERLJ-GOSISDBHSA-N 1 1 436.531 4.855 50 0 IJAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593057 523200355 /nfs/dbraw/zinc/20/03/55/523200355.db2.gz IODSOJRNAHYGPI-MRXNPFEDSA-N 1 1 438.524 4.940 50 0 IJAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593057 523200370 /nfs/dbraw/zinc/20/03/70/523200370.db2.gz IODSOJRNAHYGPI-MRXNPFEDSA-N 1 1 438.524 4.940 50 0 IJAAMO CCn1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000012225127 523691213 /nfs/dbraw/zinc/69/12/13/523691213.db2.gz YXDXQWFDGCLTEA-OAQYLSRUSA-N 1 1 432.568 4.738 50 0 IJAAMO COCCN(Cc1cccc2cccnc21)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012719116 523752947 /nfs/dbraw/zinc/75/29/47/523752947.db2.gz MPXAWGIETKTTSX-JOCHJYFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COCCN(Cc1cccc2cccnc21)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012719116 523752955 /nfs/dbraw/zinc/75/29/55/523752955.db2.gz MPXAWGIETKTTSX-JOCHJYFZSA-N 1 1 429.608 4.563 50 0 IJAAMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000012223762 523887923 /nfs/dbraw/zinc/88/79/23/523887923.db2.gz PQCYIQFGBFMMNV-OAQYLSRUSA-N 1 1 448.529 4.670 50 0 IJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)C1 ZINC000020728735 524222981 /nfs/dbraw/zinc/22/29/81/524222981.db2.gz GYVRYZRDIMBCQS-OZHVRZOASA-N 1 1 435.593 4.624 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000012679264 524636202 /nfs/dbraw/zinc/63/62/02/524636202.db2.gz BUSOANDQJAYCMH-NRFANRHFSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000012679264 524636213 /nfs/dbraw/zinc/63/62/13/524636213.db2.gz BUSOANDQJAYCMH-NRFANRHFSA-N 1 1 435.549 4.785 50 0 IJAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c(OC)c1C ZINC000012582177 525266408 /nfs/dbraw/zinc/26/64/08/525266408.db2.gz OMGOFUNUEXVBAN-HMHJJOSWSA-N 1 1 440.971 4.604 50 0 IJAAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c(=O)n(-c2ccccc2)n1C ZINC000020535583 525706830 /nfs/dbraw/zinc/70/68/30/525706830.db2.gz NFNXQHXMSRJTJT-LJQANCHMSA-N 1 1 437.971 4.541 50 0 IJAAMO Cc1c(Nc2ccc(CNCCC[N@H+]3CCCC[C@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113460 525878740 /nfs/dbraw/zinc/87/87/40/525878740.db2.gz FWQFLYLTQNFMFC-OAQYLSRUSA-N 1 1 447.627 4.582 50 0 IJAAMO Cc1c(Nc2ccc(CNCCC[N@@H+]3CCCC[C@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113460 525878752 /nfs/dbraw/zinc/87/87/52/525878752.db2.gz FWQFLYLTQNFMFC-OAQYLSRUSA-N 1 1 447.627 4.582 50 0 IJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)c1ccc(-c2ccccc2)cc1 ZINC000012705325 526595704 /nfs/dbraw/zinc/59/57/04/526595704.db2.gz IUNCIYOOSRBISK-LJQANCHMSA-N 1 1 426.520 4.532 50 0 IJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)[nH+]1 ZINC000021795559 527003021 /nfs/dbraw/zinc/00/30/21/527003021.db2.gz VVQONUAPSWRQQS-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO O=C(Nc1ccc(Br)cc1F)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532107 527158078 /nfs/dbraw/zinc/15/80/78/527158078.db2.gz YOPOOEGBWJHABX-MRXNPFEDSA-N 1 1 446.364 4.890 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458368 527529425 /nfs/dbraw/zinc/52/94/25/527529425.db2.gz ZIQNWUQJZJMKEF-SFHVURJKSA-N 1 1 432.549 4.807 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458368 527529429 /nfs/dbraw/zinc/52/94/29/527529429.db2.gz ZIQNWUQJZJMKEF-SFHVURJKSA-N 1 1 432.549 4.807 50 0 IJAAMO OCC[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000012300292 527551456 /nfs/dbraw/zinc/55/14/56/527551456.db2.gz GJANGYPPKRZJJE-UHFFFAOYSA-N 1 1 449.517 4.690 50 0 IJAAMO OCC[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000012300292 527551461 /nfs/dbraw/zinc/55/14/61/527551461.db2.gz GJANGYPPKRZJJE-UHFFFAOYSA-N 1 1 449.517 4.690 50 0 IJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000002915239 555862276 /nfs/dbraw/zinc/86/22/76/555862276.db2.gz OGIYHRCVPCNDAL-DNQXCXABSA-N 1 1 426.451 4.639 50 0 IJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000013811564 556312626 /nfs/dbraw/zinc/31/26/26/556312626.db2.gz JSWPRIAHPPABAV-NOZRDPDXSA-N 1 1 438.487 4.508 50 0 IJAAMO CC(C)C[N@@H+](C)[C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000011784454 556352514 /nfs/dbraw/zinc/35/25/14/556352514.db2.gz ODEMHBHTPCWQAL-KRWDZBQOSA-N 1 1 449.542 4.970 50 0 IJAAMO CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000011816289 556358634 /nfs/dbraw/zinc/35/86/34/556358634.db2.gz XNJWGEKSVBDBDY-UHFFFAOYSA-N 1 1 426.626 4.732 50 0 IJAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821787 556362745 /nfs/dbraw/zinc/36/27/45/556362745.db2.gz ZRKINYXQNPQHBK-QGZVFWFLSA-N 1 1 431.380 4.514 50 0 IJAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821787 556362747 /nfs/dbraw/zinc/36/27/47/556362747.db2.gz ZRKINYXQNPQHBK-QGZVFWFLSA-N 1 1 431.380 4.514 50 0 IJAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000011841719 556365564 /nfs/dbraw/zinc/36/55/64/556365564.db2.gz 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COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000014961989 556464311 /nfs/dbraw/zinc/46/43/11/556464311.db2.gz DLQHSZZPEQHEIB-QGZVFWFLSA-N 1 1 444.959 4.766 50 0 IJAAMO COCc1ccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)o1 ZINC000014979082 556469853 /nfs/dbraw/zinc/46/98/53/556469853.db2.gz WVABBHQRCASVHT-UHFFFAOYSA-N 1 1 446.975 4.749 50 0 IJAAMO CCc1ccc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)nc1 ZINC000015065499 556492514 /nfs/dbraw/zinc/49/25/14/556492514.db2.gz OEMUAOZHZMCVAN-UHFFFAOYSA-N 1 1 440.547 4.917 50 0 IJAAMO CCc1ccc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)nc1 ZINC000015065499 556492517 /nfs/dbraw/zinc/49/25/17/556492517.db2.gz OEMUAOZHZMCVAN-UHFFFAOYSA-N 1 1 440.547 4.917 50 0 IJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)NCc1ccccc1Cl ZINC000015077708 556499992 /nfs/dbraw/zinc/49/99/92/556499992.db2.gz CSRJSMHMFQYXJY-QGZVFWFLSA-N 1 1 432.033 4.984 50 0 IJAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000032891630 556519650 /nfs/dbraw/zinc/51/96/50/556519650.db2.gz LEVCZGFAWCZYCN-KRWDZBQOSA-N 1 1 446.938 4.793 50 0 IJAAMO O=c1c2c(nc3sc(SC/C=C/c4ccccc4)nn31)CC[N@@H+](Cc1ccccc1)C2 ZINC000015414242 556526423 /nfs/dbraw/zinc/52/64/23/556526423.db2.gz OJYDMOZWDIRRPC-KPKJPENVSA-N 1 1 446.601 4.515 50 0 IJAAMO O=c1c2c(nc3sc(SC/C=C/c4ccccc4)nn31)CC[N@H+](Cc1ccccc1)C2 ZINC000015414242 556526426 /nfs/dbraw/zinc/52/64/26/556526426.db2.gz OJYDMOZWDIRRPC-KPKJPENVSA-N 1 1 446.601 4.515 50 0 IJAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]2CCC[N@H+]21 ZINC000013591806 556529805 /nfs/dbraw/zinc/52/98/05/556529805.db2.gz PGYPRCDEEGWUJY-HQQJGFCBSA-N 1 1 438.527 4.604 50 0 IJAAMO COc1ccc(C[C@@H]([NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694980 556628588 /nfs/dbraw/zinc/62/85/88/556628588.db2.gz OIVBKIFJXRMZRF-MZNJEOGPSA-N 1 1 429.520 4.575 50 0 IJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)[nH+]c(C)n1 ZINC000033027419 556706426 /nfs/dbraw/zinc/70/64/26/556706426.db2.gz XUMAEEVGCNEGKX-UHFFFAOYSA-N 1 1 439.585 4.792 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@H](C)c2ccncn2)cc1F ZINC000055060819 556732964 /nfs/dbraw/zinc/73/29/64/556732964.db2.gz WUBXYPQMPCAXGY-GOSISDBHSA-N 1 1 431.515 4.978 50 0 IJAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)[C@H](C)c2ccncn2)cc1F ZINC000055060819 556732965 /nfs/dbraw/zinc/73/29/65/556732965.db2.gz WUBXYPQMPCAXGY-GOSISDBHSA-N 1 1 431.515 4.978 50 0 IJAAMO CCN(Cc1nc2ccccc2n1CC)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019300718 556734991 /nfs/dbraw/zinc/73/49/91/556734991.db2.gz FXDABLPJVQIRHV-QHCPKHFHSA-N 1 1 434.628 4.841 50 0 IJAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1ccccc1 ZINC000055107797 556735044 /nfs/dbraw/zinc/73/50/44/556735044.db2.gz VDWWPKFILOMMBZ-UHFFFAOYSA-N 1 1 445.544 4.967 50 0 IJAAMO CCN(C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000058202293 556771473 /nfs/dbraw/zinc/77/14/73/556771473.db2.gz HAIXMYNCVYUPOC-ZCNNSNEGSA-N 1 1 427.564 4.728 50 0 IJAAMO CCN(C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000058202293 556771475 /nfs/dbraw/zinc/77/14/75/556771475.db2.gz HAIXMYNCVYUPOC-ZCNNSNEGSA-N 1 1 427.564 4.728 50 0 IJAAMO c1sc2nc(C3CC3)nc(N3CC[NH+](Cc4ccncc4)CC3)c2c1-c1ccccc1 ZINC000058434542 556788264 /nfs/dbraw/zinc/78/82/64/556788264.db2.gz OFLYHGPGGQPPRF-UHFFFAOYSA-N 1 1 427.577 4.953 50 0 IJAAMO CCC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000033106298 556858468 /nfs/dbraw/zinc/85/84/68/556858468.db2.gz VQWIZCWVALNEJC-LJQANCHMSA-N 1 1 444.579 4.855 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732659 556876702 /nfs/dbraw/zinc/87/67/02/556876702.db2.gz BAPWXFZZMISZFN-GOSISDBHSA-N 1 1 438.597 4.952 50 0 IJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732659 556876704 /nfs/dbraw/zinc/87/67/04/556876704.db2.gz BAPWXFZZMISZFN-GOSISDBHSA-N 1 1 438.597 4.952 50 0 IJAAMO COC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)ccc1Cl ZINC000020026859 556967389 /nfs/dbraw/zinc/96/73/89/556967389.db2.gz GZKQCPNYBHAFJM-UHFFFAOYSA-N 1 1 434.923 4.937 50 0 IJAAMO CCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347273 557009159 /nfs/dbraw/zinc/00/91/59/557009159.db2.gz PKINNKVVZRSOIJ-UHFFFAOYSA-N 1 1 441.575 4.973 50 0 IJAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032508 557025119 /nfs/dbraw/zinc/02/51/19/557025119.db2.gz RJOCLHLEGYCEIF-UHFFFAOYSA-N 1 1 446.576 4.630 50 0 IJAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032508 557025120 /nfs/dbraw/zinc/02/51/20/557025120.db2.gz RJOCLHLEGYCEIF-UHFFFAOYSA-N 1 1 446.576 4.630 50 0 IJAAMO C[C@@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181486 557045425 /nfs/dbraw/zinc/04/54/25/557045425.db2.gz RUQKSNZSRCZIAH-WZONZLPQSA-N 1 1 439.556 4.928 50 0 IJAAMO COc1ccccc1-c1noc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022919953 557046922 /nfs/dbraw/zinc/04/69/22/557046922.db2.gz BPAKZTOJTCJHAC-UHFFFAOYSA-N 1 1 440.547 4.652 50 0 IJAAMO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022923200 557047767 /nfs/dbraw/zinc/04/77/67/557047767.db2.gz XCKCKKXKQWRSQK-QFIPXVFZSA-N 1 1 435.656 4.932 50 0 IJAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026120970 557235205 /nfs/dbraw/zinc/23/52/05/557235205.db2.gz SSQJNPMOUDAJEM-UHFFFAOYSA-N 1 1 434.584 4.874 50 0 IJAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)CC1 ZINC000026533425 557243440 /nfs/dbraw/zinc/24/34/40/557243440.db2.gz UXTGAOCVAXRGDS-UHFFFAOYSA-N 1 1 445.498 4.505 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326683 557333265 /nfs/dbraw/zinc/33/32/65/557333265.db2.gz QLKJTEQJJMSWCV-UHFFFAOYSA-N 1 1 426.908 4.901 50 0 IJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1Cl ZINC000033326683 557333267 /nfs/dbraw/zinc/33/32/67/557333267.db2.gz QLKJTEQJJMSWCV-UHFFFAOYSA-N 1 1 426.908 4.901 50 0 IJAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)CC1 ZINC000023332961 557346627 /nfs/dbraw/zinc/34/66/27/557346627.db2.gz BZNMCNOWPSGTEK-UHFFFAOYSA-N 1 1 443.595 4.512 50 0 IJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939089 557411317 /nfs/dbraw/zinc/41/13/17/557411317.db2.gz DPENKBAAZIMTTB-QGZVFWFLSA-N 1 1 425.598 4.621 50 0 IJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000103055257 557416986 /nfs/dbraw/zinc/41/69/86/557416986.db2.gz CBLGQFGVSWPZFX-SIKLNZKXSA-N 1 1 447.579 4.799 50 0 IJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843531 557811344 /nfs/dbraw/zinc/81/13/44/557811344.db2.gz VZADEPCNSULOFT-DQEYMECFSA-N 1 1 438.487 4.508 50 0 IJAAMO CC(C)[N@@H+](CCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)Cc1ccco1 ZINC000009636845 562974558 /nfs/dbraw/zinc/97/45/58/562974558.db2.gz SIXSXMNGQYQUNF-UHFFFAOYSA-N 1 1 430.504 4.693 50 0 IJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000014994274 563017433 /nfs/dbraw/zinc/01/74/33/563017433.db2.gz KAEZUEKBXMPQOE-DEOSSOPVSA-N 1 1 443.595 4.591 50 0 IJAAMO CCc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440995 563025017 /nfs/dbraw/zinc/02/50/17/563025017.db2.gz XPSIKVKQGXEMJM-XCZPVHLTSA-N 1 1 431.576 4.610 50 0 IJAAMO Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000015671324 568803042 /nfs/dbraw/zinc/80/30/42/568803042.db2.gz GSIMWZVXLNGFDV-UHFFFAOYSA-N 1 1 439.585 4.827 50 0 IJAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019721984 568894601 /nfs/dbraw/zinc/89/46/01/568894601.db2.gz SFUYRPPDWAFBKA-JQIJEIRASA-N 1 1 442.559 4.651 50 0 IJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036096020 568951612 /nfs/dbraw/zinc/95/16/12/568951612.db2.gz UXXSAGWARRZNRR-QHCPKHFHSA-N 1 1 439.527 4.593 50 0 IJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801545 568961433 /nfs/dbraw/zinc/96/14/33/568961433.db2.gz VTGAHWJKCKQRCA-UHFFFAOYSA-N 1 1 438.919 4.663 50 0 IJAAMO COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064800948 568961435 /nfs/dbraw/zinc/96/14/35/568961435.db2.gz MRSGSPLMZNVYFJ-UHFFFAOYSA-N 1 1 447.539 4.788 50 0 IJAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146356 568962512 /nfs/dbraw/zinc/96/25/12/568962512.db2.gz GJEGMAMBLPROLE-UXHICEINSA-N 1 1 448.966 4.650 50 0 IJAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303493 568993887 /nfs/dbraw/zinc/99/38/87/568993887.db2.gz QWWSUDDQLOPWDD-FQEVSTJZSA-N 1 1 443.975 4.846 50 0 IJAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303493 568993889 /nfs/dbraw/zinc/99/38/89/568993889.db2.gz QWWSUDDQLOPWDD-FQEVSTJZSA-N 1 1 443.975 4.846 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036308456 568996368 /nfs/dbraw/zinc/99/63/68/568996368.db2.gz FIYYNRJDMNSSCL-XMMPIXPASA-N 1 1 449.595 4.971 50 0 IJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036308456 568996370 /nfs/dbraw/zinc/99/63/70/568996370.db2.gz FIYYNRJDMNSSCL-XMMPIXPASA-N 1 1 449.595 4.971 50 0 IJAAMO CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)C1CCCC1 ZINC000036313486 568998566 /nfs/dbraw/zinc/99/85/66/568998566.db2.gz KCMLVBMPRDTQIM-UHFFFAOYSA-N 1 1 438.616 4.658 50 0 IJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345899 569080817 /nfs/dbraw/zinc/08/08/17/569080817.db2.gz CAWATCGPQJISDG-HSZRJFAPSA-N 1 1 435.568 4.643 50 0 IJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345899 569080818 /nfs/dbraw/zinc/08/08/18/569080818.db2.gz CAWATCGPQJISDG-HSZRJFAPSA-N 1 1 435.568 4.643 50 0 IJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346144 569081218 /nfs/dbraw/zinc/08/12/18/569081218.db2.gz FNWMSIQXKACRAK-HSZRJFAPSA-N 1 1 437.584 4.891 50 0 IJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346144 569081219 /nfs/dbraw/zinc/08/12/19/569081219.db2.gz FNWMSIQXKACRAK-HSZRJFAPSA-N 1 1 437.584 4.891 50 0 IJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC)C(C)C ZINC000036346522 569081333 /nfs/dbraw/zinc/08/13/33/569081333.db2.gz VCSLGUBZXZRTLH-JOCHJYFZSA-N 1 1 437.584 4.753 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396179 569099001 /nfs/dbraw/zinc/09/90/01/569099001.db2.gz UOPDKYAWMCUXJI-QHCPKHFHSA-N 1 1 434.536 4.663 50 0 IJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396179 569099002 /nfs/dbraw/zinc/09/90/02/569099002.db2.gz UOPDKYAWMCUXJI-QHCPKHFHSA-N 1 1 434.536 4.663 50 0 IJAAMO Cn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc21 ZINC000252514065 569189188 /nfs/dbraw/zinc/18/91/88/569189188.db2.gz BBBCUVRVWQGBDA-ZJTSJXPUSA-N 1 1 431.624 4.923 50 0 biogenic IJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000195750686 569205612 /nfs/dbraw/zinc/20/56/12/569205612.db2.gz ZEJRMEFSBLSGKA-PQILHVLRSA-N 1 1 441.999 4.714 50 0 biogenic IJAAMO COc1ccc(C(=O)Nc2cccnc2SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000253408434 569265533 /nfs/dbraw/zinc/26/55/33/569265533.db2.gz KSFQUUGZZMFUQK-AZUAARDMSA-N 1 1 441.597 4.708 50 0 biogenic IJAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002292952 569268251 /nfs/dbraw/zinc/26/82/51/569268251.db2.gz XWMILEGNYIEOHX-UHFFFAOYSA-N 1 1 439.943 4.501 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[NH+]1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000253487152 569283011 /nfs/dbraw/zinc/28/30/11/569283011.db2.gz FUPHRLAFWMRUCX-DOIPELPJSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCCN(CC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000253487152 569283014 /nfs/dbraw/zinc/28/30/14/569283014.db2.gz FUPHRLAFWMRUCX-DOIPELPJSA-N 1 1 426.476 4.975 50 0 IJAAMO CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)CN1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000253487152 569283015 /nfs/dbraw/zinc/28/30/15/569283015.db2.gz FUPHRLAFWMRUCX-DOIPELPJSA-N 1 1 426.476 4.975 50 0 IJAAMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(C(C)C)nc4onc(C)c43)C2)s1 ZINC000328591680 569317050 /nfs/dbraw/zinc/31/70/50/569317050.db2.gz MZSDMSYPKAYIKJ-QGZVFWFLSA-N 1 1 426.586 4.619 50 0 IJAAMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000019793354 569329411 /nfs/dbraw/zinc/32/94/11/569329411.db2.gz NBEAYVAVCPHRSS-UHFFFAOYSA-N 1 1 439.559 4.738 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000095446720 569367378 /nfs/dbraw/zinc/36/73/78/569367378.db2.gz GOPDMENHUAQUOJ-MHZLTWQESA-N 1 1 442.607 4.975 50 0 IJAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000095446720 569367379 /nfs/dbraw/zinc/36/73/79/569367379.db2.gz GOPDMENHUAQUOJ-MHZLTWQESA-N 1 1 442.607 4.975 50 0 IJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323687 569395383 /nfs/dbraw/zinc/39/53/83/569395383.db2.gz LAJJPPVKTATLTL-UHFFFAOYSA-N 1 1 444.510 4.889 50 0 IJAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057315290 569430896 /nfs/dbraw/zinc/43/08/96/569430896.db2.gz YHYIWVJUFZQKGT-DEOSSOPVSA-N 1 1 437.559 4.620 50 0 IJAAMO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000009067452 569500042 /nfs/dbraw/zinc/50/00/42/569500042.db2.gz DLEFUSYTTYMGAS-UHFFFAOYSA-N 1 1 433.474 4.611 50 0 IJAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000245325645 569503642 /nfs/dbraw/zinc/50/36/42/569503642.db2.gz BQBCJGFSDCSDBZ-JPYJTQIMSA-N 1 1 441.616 4.762 50 0 IJAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[N@@H+]1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000009408735 569530666 /nfs/dbraw/zinc/53/06/66/569530666.db2.gz AWYXKHMGPIPJSC-XZOQPEGZSA-N 1 1 431.001 4.719 50 0 IJAAMO COCCN(CCOC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000009531142 569545060 /nfs/dbraw/zinc/54/50/60/569545060.db2.gz UIZFCSJAOCSPIX-UHFFFAOYSA-N 1 1 436.943 4.840 50 0 IJAAMO